Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:38:22 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: ./CaF2.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 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 29 19 5 650 321 53 Max 30 20 6 655 339 58 Sum 1069 685 211 23505 11935 1989 bravais-lattice index = 14 lattice parameter (alat) = 7.0535 a.u. unit-cell volume = 248.1377 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.053466 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 F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 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 Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential F 7.00 18.99840 F( 1.00) Ca 10.00 40.07800 Ca( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 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 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 399 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025063 k( 2) = ( 0.0083333 -0.0048113 0.0068041), wk = 0.0025063 k( 3) = ( 0.0166667 -0.0096225 0.0136083), wk = 0.0025063 k( 4) = ( 0.0250000 -0.0144338 0.0204124), wk = 0.0025063 k( 5) = ( 0.0333333 -0.0192450 0.0272165), wk = 0.0025063 k( 6) = ( 0.0416667 -0.0240563 0.0340207), wk = 0.0025063 k( 7) = ( 0.0500000 -0.0288675 0.0408248), wk = 0.0025063 k( 8) = ( 0.0583333 -0.0336788 0.0476290), wk = 0.0025063 k( 9) = ( 0.0666667 -0.0384900 0.0544331), wk = 0.0025063 k( 10) = ( 0.0750000 -0.0433013 0.0612372), wk = 0.0025063 k( 11) = ( 0.0833333 -0.0481125 0.0680414), wk = 0.0025063 k( 12) = ( 0.0916667 -0.0529238 0.0748455), wk = 0.0025063 k( 13) = ( 0.1000000 -0.0577350 0.0816497), wk = 0.0025063 k( 14) = ( 0.1083333 -0.0625463 0.0884538), wk = 0.0025063 k( 15) = ( 0.1166667 -0.0673575 0.0952579), wk = 0.0025063 k( 16) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0025063 k( 17) = ( 0.1333333 -0.0769800 0.1088662), wk = 0.0025063 k( 18) = ( 0.1416667 -0.0817913 0.1156704), wk = 0.0025063 k( 19) = ( 0.1500000 -0.0866025 0.1224745), wk = 0.0025063 k( 20) = ( 0.1583333 -0.0914138 0.1292786), wk = 0.0025063 k( 21) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0025063 k( 22) = ( 0.1750000 -0.1010363 0.1428869), wk = 0.0025063 k( 23) = ( 0.1833333 -0.1058475 0.1496910), wk = 0.0025063 k( 24) = ( 0.1916667 -0.1106588 0.1564952), wk = 0.0025063 k( 25) = ( 0.2000000 -0.1154701 0.1632993), wk = 0.0025063 k( 26) = ( 0.2083333 -0.1202813 0.1701035), wk = 0.0025063 k( 27) = ( 0.2166667 -0.1250926 0.1769076), wk = 0.0025063 k( 28) = ( 0.2250000 -0.1299038 0.1837117), wk = 0.0025063 k( 29) = ( 0.2333333 -0.1347151 0.1905159), wk = 0.0025063 k( 30) = ( 0.2416667 -0.1395263 0.1973200), wk = 0.0025063 k( 31) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0025063 k( 32) = ( 0.2583333 -0.1491488 0.2109283), wk = 0.0025063 k( 33) = ( 0.2666667 -0.1539601 0.2177324), wk = 0.0025063 k( 34) = ( 0.2750000 -0.1587713 0.2245366), wk = 0.0025063 k( 35) = ( 0.2833333 -0.1635826 0.2313407), wk = 0.0025063 k( 36) = ( 0.2916667 -0.1683938 0.2381448), wk = 0.0025063 k( 37) = ( 0.3000000 -0.1732051 0.2449490), wk = 0.0025063 k( 38) = ( 0.3083333 -0.1780163 0.2517531), wk = 0.0025063 k( 39) = ( 0.3166667 -0.1828276 0.2585573), wk = 0.0025063 k( 40) = ( 0.3250000 -0.1876388 0.2653614), wk = 0.0025063 k( 41) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0025063 k( 42) = ( 0.3416667 -0.1972613 0.2789697), wk = 0.0025063 k( 43) = ( 0.3500000 -0.2020726 0.2857738), wk = 0.0025063 k( 44) = ( 0.3583333 -0.2068838 0.2925779), wk = 0.0025063 k( 45) = ( 0.3666667 -0.2116951 0.2993821), wk = 0.0025063 k( 46) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0025063 k( 47) = ( 0.3833333 -0.2213176 0.3129904), wk = 0.0025063 k( 48) = ( 0.3916667 -0.2261289 0.3197945), wk = 0.0025063 k( 49) = ( 0.4000000 -0.2309401 0.3265986), wk = 0.0025063 k( 50) = ( 0.4083333 -0.2357514 0.3334028), wk = 0.0025063 k( 51) = ( 0.4166667 -0.2405626 0.3402069), wk = 0.0025063 k( 52) = ( 0.4250000 -0.2453739 0.3470110), wk = 0.0025063 k( 53) = ( 0.4333333 -0.2501851 0.3538152), wk = 0.0025063 k( 54) = ( 0.4416667 -0.2549964 0.3606193), wk = 0.0025063 k( 55) = ( 0.4500000 -0.2598076 0.3674235), wk = 0.0025063 k( 56) = ( 0.4583333 -0.2646189 0.3742276), wk = 0.0025063 k( 57) = ( 0.4666667 -0.2694301 0.3810317), wk = 0.0025063 k( 58) = ( 0.4750000 -0.2742414 0.3878359), wk = 0.0025063 k( 59) = ( 0.4833333 -0.2790526 0.3946400), wk = 0.0025063 k( 60) = ( 0.4916667 -0.2838639 0.4014442), wk = 0.0025063 k( 61) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0025063 k( 62) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0025063 k( 63) = ( 0.5000000 -0.2790526 0.4150524), wk = 0.0025063 k( 64) = ( 0.5000000 -0.2694301 0.4218566), wk = 0.0025063 k( 65) = ( 0.5000000 -0.2598076 0.4286607), wk = 0.0025063 k( 66) = ( 0.5000000 -0.2501851 0.4354648), wk = 0.0025063 k( 67) = ( 0.5000000 -0.2405626 0.4422690), wk = 0.0025063 k( 68) = ( 0.5000000 -0.2309401 0.4490731), wk = 0.0025063 k( 69) = ( 0.5000000 -0.2213176 0.4558773), wk = 0.0025063 k( 70) = ( 0.5000000 -0.2116951 0.4626814), wk = 0.0025063 k( 71) = ( 0.5000000 -0.2020726 0.4694855), wk = 0.0025063 k( 72) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0025063 k( 73) = ( 0.5000000 -0.1828276 0.4830938), wk = 0.0025063 k( 74) = ( 0.5000000 -0.1732051 0.4898979), wk = 0.0025063 k( 75) = ( 0.5000000 -0.1635826 0.4967021), wk = 0.0025063 k( 76) = ( 0.5000000 -0.1539601 0.5035062), wk = 0.0025063 k( 77) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0025063 k( 78) = ( 0.5000000 -0.1347151 0.5171145), wk = 0.0025063 k( 79) = ( 0.5000000 -0.1250926 0.5239186), wk = 0.0025063 k( 80) = ( 0.5000000 -0.1154701 0.5307228), wk = 0.0025063 k( 81) = ( 0.5000000 -0.1058476 0.5375269), wk = 0.0025063 k( 82) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0025063 k( 83) = ( 0.5000000 -0.0866025 0.5511352), wk = 0.0025063 k( 84) = ( 0.5000000 -0.0769800 0.5579393), wk = 0.0025063 k( 85) = ( 0.5000000 -0.0673575 0.5647435), wk = 0.0025063 k( 86) = ( 0.5000000 -0.0577350 0.5715476), wk = 0.0025063 k( 87) = ( 0.5000000 -0.0481125 0.5783517), wk = 0.0025063 k( 88) = ( 0.5000000 -0.0384900 0.5851559), wk = 0.0025063 k( 89) = ( 0.5000000 -0.0288675 0.5919600), wk = 0.0025063 k( 90) = ( 0.5000000 -0.0192450 0.5987642), wk = 0.0025063 k( 91) = ( 0.5000000 -0.0096225 0.6055683), wk = 0.0025063 k( 92) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0025063 k( 93) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0025063 k( 94) = ( 0.4943182 0.0098412 0.6123724), wk = 0.0025063 k( 95) = ( 0.4886364 0.0196824 0.6123724), wk = 0.0025063 k( 96) = ( 0.4829545 0.0295236 0.6123724), wk = 0.0025063 k( 97) = ( 0.4772727 0.0393648 0.6123724), wk = 0.0025063 k( 98) = ( 0.4715909 0.0492060 0.6123724), wk = 0.0025063 k( 99) = ( 0.4659091 0.0590472 0.6123724), wk = 0.0025063 k( 100) = ( 0.4602273 0.0688884 0.6123724), wk = 0.0025063 k( 101) = ( 0.4545455 0.0787296 0.6123724), wk = 0.0025063 k( 102) = ( 0.4488636 0.0885708 0.6123724), wk = 0.0025063 k( 103) = ( 0.4431818 0.0984120 0.6123724), wk = 0.0025063 k( 104) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0025063 k( 105) = ( 0.4318182 0.1180944 0.6123724), wk = 0.0025063 k( 106) = ( 0.4261364 0.1279356 0.6123724), wk = 0.0025063 k( 107) = ( 0.4204545 0.1377768 0.6123724), wk = 0.0025063 k( 108) = ( 0.4147727 0.1476180 0.6123724), wk = 0.0025063 k( 109) = ( 0.4090909 0.1574592 0.6123724), wk = 0.0025063 k( 110) = ( 0.4034091 0.1673004 0.6123724), wk = 0.0025063 k( 111) = ( 0.3977273 0.1771416 0.6123724), wk = 0.0025063 k( 112) = ( 0.3920455 0.1869828 0.6123724), wk = 0.0025063 k( 113) = ( 0.3863636 0.1968239 0.6123724), wk = 0.0025063 k( 114) = ( 0.3806818 0.2066652 0.6123724), wk = 0.0025063 k( 115) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0025063 k( 116) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0025063 k( 117) = ( 0.3691406 0.2131234 0.6028041), wk = 0.0025063 k( 118) = ( 0.3632812 0.2097405 0.5932358), wk = 0.0025063 k( 119) = ( 0.3574219 0.2063576 0.5836675), wk = 0.0025063 k( 120) = ( 0.3515625 0.2029747 0.5740992), wk = 0.0025063 k( 121) = ( 0.3457031 0.1995918 0.5645308), wk = 0.0025063 k( 122) = ( 0.3398438 0.1962089 0.5549625), wk = 0.0025063 k( 123) = ( 0.3339844 0.1928260 0.5453942), wk = 0.0025063 k( 124) = ( 0.3281250 0.1894431 0.5358259), wk = 0.0025063 k( 125) = ( 0.3222656 0.1860601 0.5262576), wk = 0.0025063 k( 126) = ( 0.3164062 0.1826772 0.5166892), wk = 0.0025063 k( 127) = ( 0.3105469 0.1792943 0.5071209), wk = 0.0025063 k( 128) = ( 0.3046875 0.1759114 0.4975526), wk = 0.0025063 k( 129) = ( 0.2988281 0.1725285 0.4879843), wk = 0.0025063 k( 130) = ( 0.2929688 0.1691456 0.4784160), wk = 0.0025063 k( 131) = ( 0.2871094 0.1657627 0.4688476), wk = 0.0025063 k( 132) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0025063 k( 133) = ( 0.2753906 0.1589968 0.4497110), wk = 0.0025063 k( 134) = ( 0.2695312 0.1556139 0.4401427), wk = 0.0025063 k( 135) = ( 0.2636719 0.1522310 0.4305744), wk = 0.0025063 k( 136) = ( 0.2578125 0.1488481 0.4210060), wk = 0.0025063 k( 137) = ( 0.2519531 0.1454652 0.4114377), wk = 0.0025063 k( 138) = ( 0.2460938 0.1420823 0.4018694), wk = 0.0025063 k( 139) = ( 0.2402344 0.1386994 0.3923011), wk = 0.0025063 k( 140) = ( 0.2343750 0.1353165 0.3827328), wk = 0.0025063 k( 141) = ( 0.2285156 0.1319336 0.3731645), wk = 0.0025063 k( 142) = ( 0.2226562 0.1285506 0.3635961), wk = 0.0025063 k( 143) = ( 0.2167969 0.1251677 0.3540278), wk = 0.0025063 k( 144) = ( 0.2109375 0.1217848 0.3444595), wk = 0.0025063 k( 145) = ( 0.2050781 0.1184019 0.3348912), wk = 0.0025063 k( 146) = ( 0.1992188 0.1150190 0.3253229), wk = 0.0025063 k( 147) = ( 0.1933594 0.1116361 0.3157545), wk = 0.0025063 k( 148) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0025063 k( 149) = ( 0.1816406 0.1048703 0.2966179), wk = 0.0025063 k( 150) = ( 0.1757812 0.1014874 0.2870496), wk = 0.0025063 k( 151) = ( 0.1699219 0.0981044 0.2774813), wk = 0.0025063 k( 152) = ( 0.1640625 0.0947215 0.2679129), wk = 0.0025063 k( 153) = ( 0.1582031 0.0913386 0.2583446), wk = 0.0025063 k( 154) = ( 0.1523438 0.0879557 0.2487763), wk = 0.0025063 k( 155) = ( 0.1464844 0.0845728 0.2392080), wk = 0.0025063 k( 156) = ( 0.1406250 0.0811899 0.2296397), wk = 0.0025063 k( 157) = ( 0.1347656 0.0778070 0.2200713), wk = 0.0025063 k( 158) = ( 0.1289062 0.0744241 0.2105030), wk = 0.0025063 k( 159) = ( 0.1230469 0.0710411 0.2009347), wk = 0.0025063 k( 160) = ( 0.1171875 0.0676582 0.1913664), wk = 0.0025063 k( 161) = ( 0.1113281 0.0642753 0.1817981), wk = 0.0025063 k( 162) = ( 0.1054688 0.0608924 0.1722297), wk = 0.0025063 k( 163) = ( 0.0996094 0.0575095 0.1626614), wk = 0.0025063 k( 164) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0025063 k( 165) = ( 0.0878906 0.0507437 0.1435248), wk = 0.0025063 k( 166) = ( 0.0820312 0.0473608 0.1339565), wk = 0.0025063 k( 167) = ( 0.0761719 0.0439779 0.1243881), wk = 0.0025063 k( 168) = ( 0.0703125 0.0405949 0.1148198), wk = 0.0025063 k( 169) = ( 0.0644531 0.0372120 0.1052515), wk = 0.0025063 k( 170) = ( 0.0585938 0.0338291 0.0956832), wk = 0.0025063 k( 171) = ( 0.0527344 0.0304462 0.0861149), wk = 0.0025063 k( 172) = ( 0.0468750 0.0270633 0.0765466), wk = 0.0025063 k( 173) = ( 0.0410156 0.0236804 0.0669782), wk = 0.0025063 k( 174) = ( 0.0351562 0.0202975 0.0574099), wk = 0.0025063 k( 175) = ( 0.0292969 0.0169146 0.0478416), wk = 0.0025063 k( 176) = ( 0.0234375 0.0135316 0.0382733), wk = 0.0025063 k( 177) = ( 0.0175781 0.0101487 0.0287050), wk = 0.0025063 k( 178) = ( 0.0117188 0.0067658 0.0191366), wk = 0.0025063 k( 179) = ( 0.0058594 0.0033829 0.0095683), wk = 0.0025063 k( 180) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025063 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025063 k( 182) = ( 0.0096154 0.0055514 0.0039255), wk = 0.0025063 k( 183) = ( 0.0192308 0.0111029 0.0078509), wk = 0.0025063 k( 184) = ( 0.0288462 0.0166543 0.0117764), wk = 0.0025063 k( 185) = ( 0.0384615 0.0222058 0.0157019), wk = 0.0025063 k( 186) = ( 0.0480769 0.0277572 0.0196273), wk = 0.0025063 k( 187) = ( 0.0576923 0.0333087 0.0235528), wk = 0.0025063 k( 188) = ( 0.0673077 0.0388601 0.0274782), wk = 0.0025063 k( 189) = ( 0.0769231 0.0444116 0.0314037), wk = 0.0025063 k( 190) = ( 0.0865385 0.0499630 0.0353292), wk = 0.0025063 k( 191) = ( 0.0961538 0.0555145 0.0392546), wk = 0.0025063 k( 192) = ( 0.1057692 0.0610659 0.0431801), wk = 0.0025063 k( 193) = ( 0.1153846 0.0666173 0.0471056), wk = 0.0025063 k( 194) = ( 0.1250000 0.0721688 0.0510310), wk = 0.0025063 k( 195) = ( 0.1346154 0.0777202 0.0549565), wk = 0.0025063 k( 196) = ( 0.1442308 0.0832717 0.0588820), wk = 0.0025063 k( 197) = ( 0.1538461 0.0888231 0.0628074), wk = 0.0025063 k( 198) = ( 0.1634615 0.0943746 0.0667329), wk = 0.0025063 k( 199) = ( 0.1730769 0.0999260 0.0706584), wk = 0.0025063 k( 200) = ( 0.1826923 0.1054775 0.0745838), wk = 0.0025063 k( 201) = ( 0.1923077 0.1110289 0.0785093), wk = 0.0025063 k( 202) = ( 0.2019231 0.1165803 0.0824348), wk = 0.0025063 k( 203) = ( 0.2115385 0.1221318 0.0863602), wk = 0.0025063 k( 204) = ( 0.2211539 0.1276832 0.0902857), wk = 0.0025063 k( 205) = ( 0.2307692 0.1332347 0.0942111), wk = 0.0025063 k( 206) = ( 0.2403846 0.1387861 0.0981366), wk = 0.0025063 k( 207) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0025063 k( 208) = ( 0.2596154 0.1498890 0.1059875), wk = 0.0025063 k( 209) = ( 0.2692308 0.1554405 0.1099130), wk = 0.0025063 k( 210) = ( 0.2788462 0.1609919 0.1138385), wk = 0.0025063 k( 211) = ( 0.2884615 0.1665433 0.1177639), wk = 0.0025063 k( 212) = ( 0.2980769 0.1720948 0.1216894), wk = 0.0025063 k( 213) = ( 0.3076923 0.1776462 0.1256149), wk = 0.0025063 k( 214) = ( 0.3173077 0.1831977 0.1295403), wk = 0.0025063 k( 215) = ( 0.3269231 0.1887491 0.1334658), wk = 0.0025063 k( 216) = ( 0.3365385 0.1943006 0.1373913), wk = 0.0025063 k( 217) = ( 0.3461538 0.1998520 0.1413167), wk = 0.0025063 k( 218) = ( 0.3557692 0.2054035 0.1452422), wk = 0.0025063 k( 219) = ( 0.3653846 0.2109549 0.1491676), wk = 0.0025063 k( 220) = ( 0.3750000 0.2165064 0.1530931), wk = 0.0025063 k( 221) = ( 0.3846154 0.2220578 0.1570186), wk = 0.0025063 k( 222) = ( 0.3942308 0.2276092 0.1609440), wk = 0.0025063 k( 223) = ( 0.4038462 0.2331607 0.1648695), wk = 0.0025063 k( 224) = ( 0.4134615 0.2387121 0.1687950), wk = 0.0025063 k( 225) = ( 0.4230769 0.2442636 0.1727204), wk = 0.0025063 k( 226) = ( 0.4326923 0.2498150 0.1766459), wk = 0.0025063 k( 227) = ( 0.4423077 0.2553665 0.1805714), wk = 0.0025063 k( 228) = ( 0.4519231 0.2609179 0.1844968), wk = 0.0025063 k( 229) = ( 0.4615385 0.2664694 0.1884223), wk = 0.0025063 k( 230) = ( 0.4711538 0.2720208 0.1923478), wk = 0.0025063 k( 231) = ( 0.4807692 0.2775722 0.1962732), wk = 0.0025063 k( 232) = ( 0.4903846 0.2831237 0.2001987), wk = 0.0025063 k( 233) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0025063 k( 234) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0025063 k( 235) = ( 0.5033784 0.2789226 0.2096410), wk = 0.0025063 k( 236) = ( 0.5067568 0.2691701 0.2151579), wk = 0.0025063 k( 237) = ( 0.5101351 0.2594175 0.2206748), wk = 0.0025063 k( 238) = ( 0.5135135 0.2496650 0.2261916), wk = 0.0025063 k( 239) = ( 0.5168919 0.2399124 0.2317085), wk = 0.0025063 k( 240) = ( 0.5202703 0.2301599 0.2372254), wk = 0.0025063 k( 241) = ( 0.5236487 0.2204074 0.2427422), wk = 0.0025063 k( 242) = ( 0.5270270 0.2106548 0.2482591), wk = 0.0025063 k( 243) = ( 0.5304054 0.2009023 0.2537760), wk = 0.0025063 k( 244) = ( 0.5337838 0.1911498 0.2592928), wk = 0.0025063 k( 245) = ( 0.5371622 0.1813972 0.2648097), wk = 0.0025063 k( 246) = ( 0.5405405 0.1716447 0.2703266), wk = 0.0025063 k( 247) = ( 0.5439189 0.1618921 0.2758434), wk = 0.0025063 k( 248) = ( 0.5472973 0.1521396 0.2813603), wk = 0.0025063 k( 249) = ( 0.5506757 0.1423871 0.2868772), wk = 0.0025063 k( 250) = ( 0.5540540 0.1326345 0.2923940), wk = 0.0025063 k( 251) = ( 0.5574324 0.1228820 0.2979109), wk = 0.0025063 k( 252) = ( 0.5608108 0.1131294 0.3034278), wk = 0.0025063 k( 253) = ( 0.5641892 0.1033769 0.3089447), wk = 0.0025063 k( 254) = ( 0.5675676 0.0936244 0.3144615), wk = 0.0025063 k( 255) = ( 0.5709460 0.0838718 0.3199784), wk = 0.0025063 k( 256) = ( 0.5743243 0.0741193 0.3254953), wk = 0.0025063 k( 257) = ( 0.5777027 0.0643667 0.3310121), wk = 0.0025063 k( 258) = ( 0.5810811 0.0546142 0.3365290), wk = 0.0025063 k( 259) = ( 0.5844595 0.0448617 0.3420459), wk = 0.0025063 k( 260) = ( 0.5878378 0.0351091 0.3475627), wk = 0.0025063 k( 261) = ( 0.5912162 0.0253566 0.3530796), wk = 0.0025063 k( 262) = ( 0.5945946 0.0156041 0.3585965), wk = 0.0025063 k( 263) = ( 0.5979730 0.0058515 0.3641133), wk = 0.0025063 k( 264) = ( 0.6013513 -0.0039010 0.3696302), wk = 0.0025063 k( 265) = ( 0.6047297 -0.0136536 0.3751471), wk = 0.0025063 k( 266) = ( 0.6081081 -0.0234061 0.3806639), wk = 0.0025063 k( 267) = ( 0.6114865 -0.0331586 0.3861808), wk = 0.0025063 k( 268) = ( 0.6148649 -0.0429112 0.3916977), wk = 0.0025063 k( 269) = ( 0.6182432 -0.0526637 0.3972146), wk = 0.0025063 k( 270) = ( 0.6216216 -0.0624162 0.4027314), wk = 0.0025063 k( 271) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0025063 k( 272) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0025063 k( 273) = ( 0.6193182 -0.0688884 0.4175267), wk = 0.0025063 k( 274) = ( 0.6136364 -0.0656080 0.4268050), wk = 0.0025063 k( 275) = ( 0.6079545 -0.0623276 0.4360834), wk = 0.0025063 k( 276) = ( 0.6022727 -0.0590472 0.4453618), wk = 0.0025063 k( 277) = ( 0.5965909 -0.0557668 0.4546401), wk = 0.0025063 k( 278) = ( 0.5909091 -0.0524864 0.4639185), wk = 0.0025063 k( 279) = ( 0.5852273 -0.0492060 0.4731969), wk = 0.0025063 k( 280) = ( 0.5795455 -0.0459256 0.4824753), wk = 0.0025063 k( 281) = ( 0.5738636 -0.0426452 0.4917536), wk = 0.0025063 k( 282) = ( 0.5681818 -0.0393648 0.5010320), wk = 0.0025063 k( 283) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0025063 k( 284) = ( 0.5568182 -0.0328040 0.5195887), wk = 0.0025063 k( 285) = ( 0.5511364 -0.0295236 0.5288671), wk = 0.0025063 k( 286) = ( 0.5454545 -0.0262432 0.5381455), wk = 0.0025063 k( 287) = ( 0.5397727 -0.0229628 0.5474238), wk = 0.0025063 k( 288) = ( 0.5340909 -0.0196824 0.5567022), wk = 0.0025063 k( 289) = ( 0.5284091 -0.0164020 0.5659806), wk = 0.0025063 k( 290) = ( 0.5227273 -0.0131216 0.5752590), wk = 0.0025063 k( 291) = ( 0.5170455 -0.0098412 0.5845373), wk = 0.0025063 k( 292) = ( 0.5113636 -0.0065608 0.5938157), wk = 0.0025063 k( 293) = ( 0.5056818 -0.0032804 0.6030941), wk = 0.0025063 k( 294) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0025063 k( 295) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0025063 k( 296) = ( 0.5000000 0.0067134 0.6028783), wk = 0.0025063 k( 297) = ( 0.5000000 0.0134268 0.5933841), wk = 0.0025063 k( 298) = ( 0.5000000 0.0201401 0.5838900), wk = 0.0025063 k( 299) = ( 0.5000000 0.0268535 0.5743959), wk = 0.0025063 k( 300) = ( 0.5000000 0.0335669 0.5649017), wk = 0.0025063 k( 301) = ( 0.5000000 0.0402803 0.5554076), wk = 0.0025063 k( 302) = ( 0.5000000 0.0469936 0.5459134), wk = 0.0025063 k( 303) = ( 0.5000000 0.0537070 0.5364193), wk = 0.0025063 k( 304) = ( 0.5000000 0.0604204 0.5269251), wk = 0.0025063 k( 305) = ( 0.5000000 0.0671337 0.5174310), wk = 0.0025063 k( 306) = ( 0.5000000 0.0738471 0.5079368), wk = 0.0025063 k( 307) = ( 0.5000000 0.0805605 0.4984427), wk = 0.0025063 k( 308) = ( 0.5000000 0.0872739 0.4889485), wk = 0.0025063 k( 309) = ( 0.5000000 0.0939873 0.4794544), wk = 0.0025063 k( 310) = ( 0.5000000 0.1007006 0.4699602), wk = 0.0025063 k( 311) = ( 0.5000000 0.1074140 0.4604661), wk = 0.0025063 k( 312) = ( 0.5000000 0.1141274 0.4509719), wk = 0.0025063 k( 313) = ( 0.5000000 0.1208408 0.4414778), wk = 0.0025063 k( 314) = ( 0.5000000 0.1275541 0.4319837), wk = 0.0025063 k( 315) = ( 0.5000000 0.1342675 0.4224895), wk = 0.0025063 k( 316) = ( 0.5000000 0.1409809 0.4129954), wk = 0.0025063 k( 317) = ( 0.5000000 0.1476943 0.4035012), wk = 0.0025063 k( 318) = ( 0.5000000 0.1544076 0.3940071), wk = 0.0025063 k( 319) = ( 0.5000000 0.1611210 0.3845129), wk = 0.0025063 k( 320) = ( 0.5000000 0.1678344 0.3750188), wk = 0.0025063 k( 321) = ( 0.5000000 0.1745478 0.3655246), wk = 0.0025063 k( 322) = ( 0.5000000 0.1812611 0.3560305), wk = 0.0025063 k( 323) = ( 0.5000000 0.1879745 0.3465363), wk = 0.0025063 k( 324) = ( 0.5000000 0.1946879 0.3370422), wk = 0.0025063 k( 325) = ( 0.5000000 0.2014013 0.3275481), wk = 0.0025063 k( 326) = ( 0.5000000 0.2081146 0.3180539), wk = 0.0025063 k( 327) = ( 0.5000000 0.2148280 0.3085598), wk = 0.0025063 k( 328) = ( 0.5000000 0.2215414 0.2990656), wk = 0.0025063 k( 329) = ( 0.5000000 0.2282548 0.2895715), wk = 0.0025063 k( 330) = ( 0.5000000 0.2349681 0.2800773), wk = 0.0025063 k( 331) = ( 0.5000000 0.2416815 0.2705832), wk = 0.0025063 k( 332) = ( 0.5000000 0.2483949 0.2610890), wk = 0.0025063 k( 333) = ( 0.5000000 0.2551083 0.2515949), wk = 0.0025063 k( 334) = ( 0.5000000 0.2618216 0.2421007), wk = 0.0025063 k( 335) = ( 0.5000000 0.2685350 0.2326066), wk = 0.0025063 k( 336) = ( 0.5000000 0.2752484 0.2231124), wk = 0.0025063 k( 337) = ( 0.5000000 0.2819618 0.2136183), wk = 0.0025063 k( 338) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0025063 k( 339) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0025063 k( 340) = ( 0.4966216 0.2867246 0.2151579), wk = 0.0025063 k( 341) = ( 0.4932432 0.2847741 0.2261916), wk = 0.0025063 k( 342) = ( 0.4898649 0.2828236 0.2372254), wk = 0.0025063 k( 343) = ( 0.4864865 0.2808731 0.2482591), wk = 0.0025063 k( 344) = ( 0.4831081 0.2789226 0.2592928), wk = 0.0025063 k( 345) = ( 0.4797297 0.2769721 0.2703266), wk = 0.0025063 k( 346) = ( 0.4763514 0.2750216 0.2813603), wk = 0.0025063 k( 347) = ( 0.4729730 0.2730711 0.2923940), wk = 0.0025063 k( 348) = ( 0.4695946 0.2711206 0.3034278), wk = 0.0025063 k( 349) = ( 0.4662162 0.2691701 0.3144615), wk = 0.0025063 k( 350) = ( 0.4628378 0.2672196 0.3254953), wk = 0.0025063 k( 351) = ( 0.4594595 0.2652690 0.3365290), wk = 0.0025063 k( 352) = ( 0.4560811 0.2633185 0.3475627), wk = 0.0025063 k( 353) = ( 0.4527027 0.2613680 0.3585965), wk = 0.0025063 k( 354) = ( 0.4493243 0.2594175 0.3696302), wk = 0.0025063 k( 355) = ( 0.4459459 0.2574670 0.3806639), wk = 0.0025063 k( 356) = ( 0.4425676 0.2555165 0.3916977), wk = 0.0025063 k( 357) = ( 0.4391892 0.2535660 0.4027314), wk = 0.0025063 k( 358) = ( 0.4358108 0.2516155 0.4137652), wk = 0.0025063 k( 359) = ( 0.4324324 0.2496650 0.4247989), wk = 0.0025063 k( 360) = ( 0.4290541 0.2477145 0.4358326), wk = 0.0025063 k( 361) = ( 0.4256757 0.2457640 0.4468664), wk = 0.0025063 k( 362) = ( 0.4222973 0.2438135 0.4579001), wk = 0.0025063 k( 363) = ( 0.4189189 0.2418630 0.4689338), wk = 0.0025063 k( 364) = ( 0.4155405 0.2399124 0.4799676), wk = 0.0025063 k( 365) = ( 0.4121622 0.2379619 0.4910013), wk = 0.0025063 k( 366) = ( 0.4087838 0.2360114 0.5020351), wk = 0.0025063 k( 367) = ( 0.4054054 0.2340609 0.5130688), wk = 0.0025063 k( 368) = ( 0.4020270 0.2321104 0.5241025), wk = 0.0025063 k( 369) = ( 0.3986486 0.2301599 0.5351363), wk = 0.0025063 k( 370) = ( 0.3952703 0.2282094 0.5461700), wk = 0.0025063 k( 371) = ( 0.3918919 0.2262589 0.5572038), wk = 0.0025063 k( 372) = ( 0.3885135 0.2243084 0.5682375), wk = 0.0025063 k( 373) = ( 0.3851351 0.2223579 0.5792712), wk = 0.0025063 k( 374) = ( 0.3817568 0.2204074 0.5903050), wk = 0.0025063 k( 375) = ( 0.3783784 0.2184569 0.6013387), wk = 0.0025063 k( 376) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0025063 k( 377) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0025063 k( 378) = ( 0.6193182 -0.0820100 0.4082483), wk = 0.0025063 k( 379) = ( 0.6136364 -0.0918512 0.4082483), wk = 0.0025063 k( 380) = ( 0.6079545 -0.1016924 0.4082483), wk = 0.0025063 k( 381) = ( 0.6022727 -0.1115336 0.4082483), wk = 0.0025063 k( 382) = ( 0.5965909 -0.1213748 0.4082483), wk = 0.0025063 k( 383) = ( 0.5909091 -0.1312160 0.4082483), wk = 0.0025063 k( 384) = ( 0.5852273 -0.1410572 0.4082483), wk = 0.0025063 k( 385) = ( 0.5795455 -0.1508984 0.4082483), wk = 0.0025063 k( 386) = ( 0.5738636 -0.1607396 0.4082483), wk = 0.0025063 k( 387) = ( 0.5681818 -0.1705808 0.4082483), wk = 0.0025063 k( 388) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0025063 k( 389) = ( 0.5568182 -0.1902632 0.4082483), wk = 0.0025063 k( 390) = ( 0.5511364 -0.2001043 0.4082483), wk = 0.0025063 k( 391) = ( 0.5454545 -0.2099456 0.4082483), wk = 0.0025063 k( 392) = ( 0.5397727 -0.2197868 0.4082483), wk = 0.0025063 k( 393) = ( 0.5340909 -0.2296279 0.4082483), wk = 0.0025063 k( 394) = ( 0.5284091 -0.2394691 0.4082483), wk = 0.0025063 k( 395) = ( 0.5227273 -0.2493103 0.4082483), wk = 0.0025063 k( 396) = ( 0.5170455 -0.2591515 0.4082483), wk = 0.0025063 k( 397) = ( 0.5113636 -0.2689927 0.4082483), wk = 0.0025063 k( 398) = ( 0.5056818 -0.2788339 0.4082483), wk = 0.0025063 k( 399) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0025063 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025063 k( 2) = ( 0.0083333 -0.0000000 0.0083333), wk = 0.0025063 k( 3) = ( 0.0166667 0.0000000 0.0166667), wk = 0.0025063 k( 4) = ( 0.0250000 0.0000000 0.0250000), wk = 0.0025063 k( 5) = ( 0.0333333 0.0000000 0.0333333), wk = 0.0025063 k( 6) = ( 0.0416667 0.0000000 0.0416667), wk = 0.0025063 k( 7) = ( 0.0500000 0.0000000 0.0500000), wk = 0.0025063 k( 8) = ( 0.0583333 0.0000000 0.0583333), wk = 0.0025063 k( 9) = ( 0.0666667 0.0000000 0.0666667), wk = 0.0025063 k( 10) = ( 0.0750000 0.0000000 0.0750000), wk = 0.0025063 k( 11) = ( 0.0833333 0.0000000 0.0833333), wk = 0.0025063 k( 12) = ( 0.0916667 0.0000000 0.0916667), wk = 0.0025063 k( 13) = ( 0.1000000 0.0000000 0.1000000), wk = 0.0025063 k( 14) = ( 0.1083333 0.0000000 0.1083333), wk = 0.0025063 k( 15) = ( 0.1166667 0.0000000 0.1166667), wk = 0.0025063 k( 16) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0025063 k( 17) = ( 0.1333333 0.0000000 0.1333333), wk = 0.0025063 k( 18) = ( 0.1416667 0.0000000 0.1416667), wk = 0.0025063 k( 19) = ( 0.1500000 0.0000000 0.1500000), wk = 0.0025063 k( 20) = ( 0.1583333 0.0000000 0.1583333), wk = 0.0025063 k( 21) = ( 0.1666667 0.0000000 0.1666667), wk = 0.0025063 k( 22) = ( 0.1750000 0.0000000 0.1750000), wk = 0.0025063 k( 23) = ( 0.1833333 0.0000000 0.1833333), wk = 0.0025063 k( 24) = ( 0.1916667 0.0000000 0.1916667), wk = 0.0025063 k( 25) = ( 0.2000000 0.0000000 0.2000000), wk = 0.0025063 k( 26) = ( 0.2083333 0.0000000 0.2083333), wk = 0.0025063 k( 27) = ( 0.2166667 0.0000000 0.2166667), wk = 0.0025063 k( 28) = ( 0.2250000 0.0000000 0.2250000), wk = 0.0025063 k( 29) = ( 0.2333333 0.0000000 0.2333333), wk = 0.0025063 k( 30) = ( 0.2416667 0.0000000 0.2416667), wk = 0.0025063 k( 31) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0025063 k( 32) = ( 0.2583333 0.0000000 0.2583333), wk = 0.0025063 k( 33) = ( 0.2666667 0.0000000 0.2666667), wk = 0.0025063 k( 34) = ( 0.2750000 0.0000000 0.2750000), wk = 0.0025063 k( 35) = ( 0.2833333 0.0000000 0.2833333), wk = 0.0025063 k( 36) = ( 0.2916667 0.0000000 0.2916667), wk = 0.0025063 k( 37) = ( 0.3000000 0.0000000 0.3000000), wk = 0.0025063 k( 38) = ( 0.3083333 0.0000000 0.3083333), wk = 0.0025063 k( 39) = ( 0.3166667 0.0000000 0.3166667), wk = 0.0025063 k( 40) = ( 0.3250000 0.0000000 0.3250000), wk = 0.0025063 k( 41) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0025063 k( 42) = ( 0.3416667 0.0000000 0.3416667), wk = 0.0025063 k( 43) = ( 0.3500000 0.0000000 0.3500000), wk = 0.0025063 k( 44) = ( 0.3583333 0.0000000 0.3583333), wk = 0.0025063 k( 45) = ( 0.3666667 0.0000000 0.3666667), wk = 0.0025063 k( 46) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0025063 k( 47) = ( 0.3833333 0.0000000 0.3833333), wk = 0.0025063 k( 48) = ( 0.3916667 0.0000000 0.3916667), wk = 0.0025063 k( 49) = ( 0.4000000 0.0000000 0.4000000), wk = 0.0025063 k( 50) = ( 0.4083333 0.0000000 0.4083333), wk = 0.0025063 k( 51) = ( 0.4166667 0.0000000 0.4166667), wk = 0.0025063 k( 52) = ( 0.4250000 0.0000000 0.4250000), wk = 0.0025063 k( 53) = ( 0.4333333 0.0000000 0.4333333), wk = 0.0025063 k( 54) = ( 0.4416667 0.0000000 0.4416667), wk = 0.0025063 k( 55) = ( 0.4500000 0.0000000 0.4500000), wk = 0.0025063 k( 56) = ( 0.4583333 0.0000000 0.4583333), wk = 0.0025063 k( 57) = ( 0.4666667 0.0000000 0.4666667), wk = 0.0025063 k( 58) = ( 0.4750000 0.0000000 0.4750000), wk = 0.0025063 k( 59) = ( 0.4833333 0.0000000 0.4833333), wk = 0.0025063 k( 60) = ( 0.4916667 0.0000000 0.4916667), wk = 0.0025063 k( 61) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025063 k( 62) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025063 k( 63) = ( 0.5000000 0.0083333 0.5083333), wk = 0.0025063 k( 64) = ( 0.5000000 0.0166667 0.5166667), wk = 0.0025063 k( 65) = ( 0.5000000 0.0250000 0.5250000), wk = 0.0025063 k( 66) = ( 0.5000000 0.0333333 0.5333333), wk = 0.0025063 k( 67) = ( 0.5000000 0.0416667 0.5416667), wk = 0.0025063 k( 68) = ( 0.5000000 0.0500000 0.5500000), wk = 0.0025063 k( 69) = ( 0.5000000 0.0583333 0.5583333), wk = 0.0025063 k( 70) = ( 0.5000000 0.0666667 0.5666667), wk = 0.0025063 k( 71) = ( 0.5000000 0.0750000 0.5750000), wk = 0.0025063 k( 72) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0025063 k( 73) = ( 0.5000000 0.0916667 0.5916667), wk = 0.0025063 k( 74) = ( 0.5000000 0.1000000 0.6000000), wk = 0.0025063 k( 75) = ( 0.5000000 0.1083333 0.6083333), wk = 0.0025063 k( 76) = ( 0.5000000 0.1166667 0.6166667), wk = 0.0025063 k( 77) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0025063 k( 78) = ( 0.5000000 0.1333333 0.6333333), wk = 0.0025063 k( 79) = ( 0.5000000 0.1416667 0.6416667), wk = 0.0025063 k( 80) = ( 0.5000000 0.1500000 0.6500000), wk = 0.0025063 k( 81) = ( 0.5000000 0.1583333 0.6583333), wk = 0.0025063 k( 82) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0025063 k( 83) = ( 0.5000000 0.1750000 0.6750000), wk = 0.0025063 k( 84) = ( 0.5000000 0.1833333 0.6833333), wk = 0.0025063 k( 85) = ( 0.5000000 0.1916667 0.6916667), wk = 0.0025063 k( 86) = ( 0.5000000 0.2000000 0.7000000), wk = 0.0025063 k( 87) = ( 0.5000000 0.2083333 0.7083333), wk = 0.0025063 k( 88) = ( 0.5000000 0.2166667 0.7166667), wk = 0.0025063 k( 89) = ( 0.5000000 0.2250000 0.7250000), wk = 0.0025063 k( 90) = ( 0.5000000 0.2333333 0.7333333), wk = 0.0025063 k( 91) = ( 0.5000000 0.2416667 0.7416667), wk = 0.0025063 k( 92) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0025063 k( 93) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0025063 k( 94) = ( 0.4943182 0.2556818 0.7500000), wk = 0.0025063 k( 95) = ( 0.4886364 0.2613636 0.7500000), wk = 0.0025063 k( 96) = ( 0.4829545 0.2670455 0.7500000), wk = 0.0025063 k( 97) = ( 0.4772727 0.2727273 0.7500000), wk = 0.0025063 k( 98) = ( 0.4715909 0.2784091 0.7500000), wk = 0.0025063 k( 99) = ( 0.4659091 0.2840909 0.7500000), wk = 0.0025063 k( 100) = ( 0.4602273 0.2897727 0.7500000), wk = 0.0025063 k( 101) = ( 0.4545455 0.2954545 0.7500000), wk = 0.0025063 k( 102) = ( 0.4488636 0.3011364 0.7500000), wk = 0.0025063 k( 103) = ( 0.4431818 0.3068182 0.7500000), wk = 0.0025063 k( 104) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0025063 k( 105) = ( 0.4318182 0.3181818 0.7500000), wk = 0.0025063 k( 106) = ( 0.4261364 0.3238636 0.7500000), wk = 0.0025063 k( 107) = ( 0.4204545 0.3295455 0.7500000), wk = 0.0025063 k( 108) = ( 0.4147727 0.3352273 0.7500000), wk = 0.0025063 k( 109) = ( 0.4090909 0.3409091 0.7500000), wk = 0.0025063 k( 110) = ( 0.4034091 0.3465909 0.7500000), wk = 0.0025063 k( 111) = ( 0.3977273 0.3522727 0.7500000), wk = 0.0025063 k( 112) = ( 0.3920455 0.3579545 0.7500000), wk = 0.0025063 k( 113) = ( 0.3863636 0.3636364 0.7500000), wk = 0.0025063 k( 114) = ( 0.3806818 0.3693182 0.7500000), wk = 0.0025063 k( 115) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0025063 k( 116) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0025063 k( 117) = ( 0.3691406 0.3691406 0.7382812), wk = 0.0025063 k( 118) = ( 0.3632812 0.3632813 0.7265625), wk = 0.0025063 k( 119) = ( 0.3574219 0.3574219 0.7148438), wk = 0.0025063 k( 120) = ( 0.3515625 0.3515625 0.7031250), wk = 0.0025063 k( 121) = ( 0.3457031 0.3457031 0.6914062), wk = 0.0025063 k( 122) = ( 0.3398438 0.3398438 0.6796875), wk = 0.0025063 k( 123) = ( 0.3339844 0.3339844 0.6679688), wk = 0.0025063 k( 124) = ( 0.3281250 0.3281250 0.6562500), wk = 0.0025063 k( 125) = ( 0.3222656 0.3222656 0.6445312), wk = 0.0025063 k( 126) = ( 0.3164062 0.3164062 0.6328125), wk = 0.0025063 k( 127) = ( 0.3105469 0.3105469 0.6210938), wk = 0.0025063 k( 128) = ( 0.3046875 0.3046875 0.6093750), wk = 0.0025063 k( 129) = ( 0.2988281 0.2988281 0.5976562), wk = 0.0025063 k( 130) = ( 0.2929688 0.2929688 0.5859375), wk = 0.0025063 k( 131) = ( 0.2871094 0.2871094 0.5742188), wk = 0.0025063 k( 132) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0025063 k( 133) = ( 0.2753906 0.2753906 0.5507812), wk = 0.0025063 k( 134) = ( 0.2695312 0.2695312 0.5390625), wk = 0.0025063 k( 135) = ( 0.2636719 0.2636719 0.5273438), wk = 0.0025063 k( 136) = ( 0.2578125 0.2578125 0.5156250), wk = 0.0025063 k( 137) = ( 0.2519531 0.2519531 0.5039062), wk = 0.0025063 k( 138) = ( 0.2460938 0.2460938 0.4921875), wk = 0.0025063 k( 139) = ( 0.2402344 0.2402344 0.4804688), wk = 0.0025063 k( 140) = ( 0.2343750 0.2343750 0.4687500), wk = 0.0025063 k( 141) = ( 0.2285156 0.2285156 0.4570312), wk = 0.0025063 k( 142) = ( 0.2226562 0.2226563 0.4453125), wk = 0.0025063 k( 143) = ( 0.2167969 0.2167969 0.4335938), wk = 0.0025063 k( 144) = ( 0.2109375 0.2109375 0.4218750), wk = 0.0025063 k( 145) = ( 0.2050781 0.2050781 0.4101562), wk = 0.0025063 k( 146) = ( 0.1992188 0.1992188 0.3984375), wk = 0.0025063 k( 147) = ( 0.1933594 0.1933594 0.3867188), wk = 0.0025063 k( 148) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0025063 k( 149) = ( 0.1816406 0.1816406 0.3632812), wk = 0.0025063 k( 150) = ( 0.1757812 0.1757812 0.3515625), wk = 0.0025063 k( 151) = ( 0.1699219 0.1699219 0.3398438), wk = 0.0025063 k( 152) = ( 0.1640625 0.1640625 0.3281250), wk = 0.0025063 k( 153) = ( 0.1582031 0.1582031 0.3164062), wk = 0.0025063 k( 154) = ( 0.1523438 0.1523438 0.3046875), wk = 0.0025063 k( 155) = ( 0.1464844 0.1464844 0.2929688), wk = 0.0025063 k( 156) = ( 0.1406250 0.1406250 0.2812500), wk = 0.0025063 k( 157) = ( 0.1347656 0.1347656 0.2695312), wk = 0.0025063 k( 158) = ( 0.1289062 0.1289062 0.2578125), wk = 0.0025063 k( 159) = ( 0.1230469 0.1230469 0.2460938), wk = 0.0025063 k( 160) = ( 0.1171875 0.1171875 0.2343750), wk = 0.0025063 k( 161) = ( 0.1113281 0.1113281 0.2226562), wk = 0.0025063 k( 162) = ( 0.1054688 0.1054688 0.2109375), wk = 0.0025063 k( 163) = ( 0.0996094 0.0996094 0.1992188), wk = 0.0025063 k( 164) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0025063 k( 165) = ( 0.0878906 0.0878906 0.1757812), wk = 0.0025063 k( 166) = ( 0.0820312 0.0820313 0.1640625), wk = 0.0025063 k( 167) = ( 0.0761719 0.0761719 0.1523438), wk = 0.0025063 k( 168) = ( 0.0703125 0.0703125 0.1406250), wk = 0.0025063 k( 169) = ( 0.0644531 0.0644531 0.1289062), wk = 0.0025063 k( 170) = ( 0.0585938 0.0585938 0.1171875), wk = 0.0025063 k( 171) = ( 0.0527344 0.0527344 0.1054688), wk = 0.0025063 k( 172) = ( 0.0468750 0.0468750 0.0937500), wk = 0.0025063 k( 173) = ( 0.0410156 0.0410156 0.0820312), wk = 0.0025063 k( 174) = ( 0.0351562 0.0351563 0.0703125), wk = 0.0025063 k( 175) = ( 0.0292969 0.0292969 0.0585938), wk = 0.0025063 k( 176) = ( 0.0234375 0.0234375 0.0468750), wk = 0.0025063 k( 177) = ( 0.0175781 0.0175781 0.0351562), wk = 0.0025063 k( 178) = ( 0.0117188 0.0117188 0.0234375), wk = 0.0025063 k( 179) = ( 0.0058594 0.0058594 0.0117188), wk = 0.0025063 k( 180) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025063 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025063 k( 182) = ( 0.0096154 0.0096154 0.0096154), wk = 0.0025063 k( 183) = ( 0.0192308 0.0192308 0.0192308), wk = 0.0025063 k( 184) = ( 0.0288462 0.0288462 0.0288462), wk = 0.0025063 k( 185) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0025063 k( 186) = ( 0.0480769 0.0480769 0.0480769), wk = 0.0025063 k( 187) = ( 0.0576923 0.0576923 0.0576923), wk = 0.0025063 k( 188) = ( 0.0673077 0.0673077 0.0673077), wk = 0.0025063 k( 189) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0025063 k( 190) = ( 0.0865385 0.0865385 0.0865385), wk = 0.0025063 k( 191) = ( 0.0961538 0.0961538 0.0961538), wk = 0.0025063 k( 192) = ( 0.1057692 0.1057692 0.1057692), wk = 0.0025063 k( 193) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0025063 k( 194) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0025063 k( 195) = ( 0.1346154 0.1346154 0.1346154), wk = 0.0025063 k( 196) = ( 0.1442308 0.1442308 0.1442308), wk = 0.0025063 k( 197) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0025063 k( 198) = ( 0.1634615 0.1634615 0.1634615), wk = 0.0025063 k( 199) = ( 0.1730769 0.1730769 0.1730769), wk = 0.0025063 k( 200) = ( 0.1826923 0.1826923 0.1826923), wk = 0.0025063 k( 201) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0025063 k( 202) = ( 0.2019231 0.2019231 0.2019231), wk = 0.0025063 k( 203) = ( 0.2115385 0.2115385 0.2115385), wk = 0.0025063 k( 204) = ( 0.2211539 0.2211539 0.2211538), wk = 0.0025063 k( 205) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0025063 k( 206) = ( 0.2403846 0.2403846 0.2403846), wk = 0.0025063 k( 207) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0025063 k( 208) = ( 0.2596154 0.2596154 0.2596154), wk = 0.0025063 k( 209) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0025063 k( 210) = ( 0.2788462 0.2788462 0.2788462), wk = 0.0025063 k( 211) = ( 0.2884615 0.2884615 0.2884615), wk = 0.0025063 k( 212) = ( 0.2980769 0.2980769 0.2980769), wk = 0.0025063 k( 213) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0025063 k( 214) = ( 0.3173077 0.3173077 0.3173077), wk = 0.0025063 k( 215) = ( 0.3269231 0.3269231 0.3269231), wk = 0.0025063 k( 216) = ( 0.3365385 0.3365385 0.3365385), wk = 0.0025063 k( 217) = ( 0.3461538 0.3461539 0.3461538), wk = 0.0025063 k( 218) = ( 0.3557692 0.3557692 0.3557692), wk = 0.0025063 k( 219) = ( 0.3653846 0.3653846 0.3653846), wk = 0.0025063 k( 220) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0025063 k( 221) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0025063 k( 222) = ( 0.3942308 0.3942308 0.3942308), wk = 0.0025063 k( 223) = ( 0.4038462 0.4038462 0.4038462), wk = 0.0025063 k( 224) = ( 0.4134615 0.4134615 0.4134615), wk = 0.0025063 k( 225) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0025063 k( 226) = ( 0.4326923 0.4326923 0.4326923), wk = 0.0025063 k( 227) = ( 0.4423077 0.4423077 0.4423077), wk = 0.0025063 k( 228) = ( 0.4519231 0.4519231 0.4519231), wk = 0.0025063 k( 229) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0025063 k( 230) = ( 0.4711538 0.4711538 0.4711538), wk = 0.0025063 k( 231) = ( 0.4807692 0.4807692 0.4807692), wk = 0.0025063 k( 232) = ( 0.4903846 0.4903846 0.4903846), wk = 0.0025063 k( 233) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025063 k( 234) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025063 k( 235) = ( 0.5033784 0.4932432 0.5033784), wk = 0.0025063 k( 236) = ( 0.5067568 0.4864865 0.5067568), wk = 0.0025063 k( 237) = ( 0.5101351 0.4797297 0.5101351), wk = 0.0025063 k( 238) = ( 0.5135135 0.4729730 0.5135135), wk = 0.0025063 k( 239) = ( 0.5168919 0.4662162 0.5168919), wk = 0.0025063 k( 240) = ( 0.5202703 0.4594595 0.5202703), wk = 0.0025063 k( 241) = ( 0.5236487 0.4527027 0.5236487), wk = 0.0025063 k( 242) = ( 0.5270270 0.4459459 0.5270270), wk = 0.0025063 k( 243) = ( 0.5304054 0.4391892 0.5304054), wk = 0.0025063 k( 244) = ( 0.5337838 0.4324324 0.5337838), wk = 0.0025063 k( 245) = ( 0.5371622 0.4256757 0.5371622), wk = 0.0025063 k( 246) = ( 0.5405405 0.4189189 0.5405405), wk = 0.0025063 k( 247) = ( 0.5439189 0.4121622 0.5439189), wk = 0.0025063 k( 248) = ( 0.5472973 0.4054054 0.5472973), wk = 0.0025063 k( 249) = ( 0.5506757 0.3986487 0.5506757), wk = 0.0025063 k( 250) = ( 0.5540540 0.3918919 0.5540540), wk = 0.0025063 k( 251) = ( 0.5574324 0.3851351 0.5574324), wk = 0.0025063 k( 252) = ( 0.5608108 0.3783784 0.5608108), wk = 0.0025063 k( 253) = ( 0.5641892 0.3716216 0.5641892), wk = 0.0025063 k( 254) = ( 0.5675676 0.3648649 0.5675676), wk = 0.0025063 k( 255) = ( 0.5709460 0.3581081 0.5709460), wk = 0.0025063 k( 256) = ( 0.5743243 0.3513514 0.5743243), wk = 0.0025063 k( 257) = ( 0.5777027 0.3445946 0.5777027), wk = 0.0025063 k( 258) = ( 0.5810811 0.3378378 0.5810811), wk = 0.0025063 k( 259) = ( 0.5844595 0.3310811 0.5844595), wk = 0.0025063 k( 260) = ( 0.5878378 0.3243243 0.5878378), wk = 0.0025063 k( 261) = ( 0.5912162 0.3175676 0.5912162), wk = 0.0025063 k( 262) = ( 0.5945946 0.3108108 0.5945946), wk = 0.0025063 k( 263) = ( 0.5979730 0.3040541 0.5979730), wk = 0.0025063 k( 264) = ( 0.6013513 0.2972973 0.6013513), wk = 0.0025063 k( 265) = ( 0.6047297 0.2905405 0.6047297), wk = 0.0025063 k( 266) = ( 0.6081081 0.2837838 0.6081081), wk = 0.0025063 k( 267) = ( 0.6114865 0.2770270 0.6114865), wk = 0.0025063 k( 268) = ( 0.6148649 0.2702703 0.6148649), wk = 0.0025063 k( 269) = ( 0.6182432 0.2635135 0.6182432), wk = 0.0025063 k( 270) = ( 0.6216216 0.2567568 0.6216216), wk = 0.0025063 k( 271) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0025063 k( 272) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0025063 k( 273) = ( 0.6193182 0.2500000 0.6306818), wk = 0.0025063 k( 274) = ( 0.6136364 0.2500000 0.6363636), wk = 0.0025063 k( 275) = ( 0.6079545 0.2500000 0.6420455), wk = 0.0025063 k( 276) = ( 0.6022727 0.2500000 0.6477273), wk = 0.0025063 k( 277) = ( 0.5965909 0.2500000 0.6534091), wk = 0.0025063 k( 278) = ( 0.5909091 0.2500000 0.6590909), wk = 0.0025063 k( 279) = ( 0.5852273 0.2500000 0.6647727), wk = 0.0025063 k( 280) = ( 0.5795455 0.2500000 0.6704545), wk = 0.0025063 k( 281) = ( 0.5738636 0.2500000 0.6761364), wk = 0.0025063 k( 282) = ( 0.5681818 0.2500000 0.6818182), wk = 0.0025063 k( 283) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0025063 k( 284) = ( 0.5568182 0.2500000 0.6931818), wk = 0.0025063 k( 285) = ( 0.5511364 0.2500000 0.6988636), wk = 0.0025063 k( 286) = ( 0.5454545 0.2500000 0.7045455), wk = 0.0025063 k( 287) = ( 0.5397727 0.2500000 0.7102273), wk = 0.0025063 k( 288) = ( 0.5340909 0.2500000 0.7159091), wk = 0.0025063 k( 289) = ( 0.5284091 0.2500000 0.7215909), wk = 0.0025063 k( 290) = ( 0.5227273 0.2500000 0.7272727), wk = 0.0025063 k( 291) = ( 0.5170455 0.2500000 0.7329546), wk = 0.0025063 k( 292) = ( 0.5113636 0.2500000 0.7386364), wk = 0.0025063 k( 293) = ( 0.5056818 0.2500000 0.7443182), wk = 0.0025063 k( 294) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0025063 k( 295) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0025063 k( 296) = ( 0.5000000 0.2558140 0.7441861), wk = 0.0025063 k( 297) = ( 0.5000000 0.2616279 0.7383721), wk = 0.0025063 k( 298) = ( 0.5000000 0.2674419 0.7325581), wk = 0.0025063 k( 299) = ( 0.5000000 0.2732558 0.7267442), wk = 0.0025063 k( 300) = ( 0.5000000 0.2790698 0.7209302), wk = 0.0025063 k( 301) = ( 0.5000000 0.2848837 0.7151163), wk = 0.0025063 k( 302) = ( 0.5000000 0.2906977 0.7093023), wk = 0.0025063 k( 303) = ( 0.5000000 0.2965116 0.7034884), wk = 0.0025063 k( 304) = ( 0.5000000 0.3023256 0.6976744), wk = 0.0025063 k( 305) = ( 0.5000000 0.3081395 0.6918605), wk = 0.0025063 k( 306) = ( 0.5000000 0.3139535 0.6860465), wk = 0.0025063 k( 307) = ( 0.5000000 0.3197674 0.6802326), wk = 0.0025063 k( 308) = ( 0.5000000 0.3255814 0.6744186), wk = 0.0025063 k( 309) = ( 0.5000000 0.3313954 0.6686047), wk = 0.0025063 k( 310) = ( 0.5000000 0.3372093 0.6627907), wk = 0.0025063 k( 311) = ( 0.5000000 0.3430233 0.6569767), wk = 0.0025063 k( 312) = ( 0.5000000 0.3488372 0.6511628), wk = 0.0025063 k( 313) = ( 0.5000000 0.3546512 0.6453488), wk = 0.0025063 k( 314) = ( 0.5000000 0.3604651 0.6395349), wk = 0.0025063 k( 315) = ( 0.5000000 0.3662791 0.6337209), wk = 0.0025063 k( 316) = ( 0.5000000 0.3720930 0.6279070), wk = 0.0025063 k( 317) = ( 0.5000000 0.3779070 0.6220930), wk = 0.0025063 k( 318) = ( 0.5000000 0.3837209 0.6162791), wk = 0.0025063 k( 319) = ( 0.5000000 0.3895349 0.6104651), wk = 0.0025063 k( 320) = ( 0.5000000 0.3953488 0.6046512), wk = 0.0025063 k( 321) = ( 0.5000000 0.4011628 0.5988372), wk = 0.0025063 k( 322) = ( 0.5000000 0.4069767 0.5930233), wk = 0.0025063 k( 323) = ( 0.5000000 0.4127907 0.5872093), wk = 0.0025063 k( 324) = ( 0.5000000 0.4186047 0.5813953), wk = 0.0025063 k( 325) = ( 0.5000000 0.4244186 0.5755814), wk = 0.0025063 k( 326) = ( 0.5000000 0.4302326 0.5697674), wk = 0.0025063 k( 327) = ( 0.5000000 0.4360465 0.5639535), wk = 0.0025063 k( 328) = ( 0.5000000 0.4418605 0.5581395), wk = 0.0025063 k( 329) = ( 0.5000000 0.4476744 0.5523256), wk = 0.0025063 k( 330) = ( 0.5000000 0.4534884 0.5465116), wk = 0.0025063 k( 331) = ( 0.5000000 0.4593023 0.5406977), wk = 0.0025063 k( 332) = ( 0.5000000 0.4651163 0.5348837), wk = 0.0025063 k( 333) = ( 0.5000000 0.4709302 0.5290698), wk = 0.0025063 k( 334) = ( 0.5000000 0.4767442 0.5232558), wk = 0.0025063 k( 335) = ( 0.5000000 0.4825581 0.5174419), wk = 0.0025063 k( 336) = ( 0.5000000 0.4883721 0.5116279), wk = 0.0025063 k( 337) = ( 0.5000000 0.4941861 0.5058139), wk = 0.0025063 k( 338) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025063 k( 339) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0025063 k( 340) = ( 0.4966216 0.4966216 0.5067568), wk = 0.0025063 k( 341) = ( 0.4932432 0.4932432 0.5135135), wk = 0.0025063 k( 342) = ( 0.4898649 0.4898649 0.5202703), wk = 0.0025063 k( 343) = ( 0.4864865 0.4864865 0.5270270), wk = 0.0025063 k( 344) = ( 0.4831081 0.4831081 0.5337838), wk = 0.0025063 k( 345) = ( 0.4797297 0.4797297 0.5405405), wk = 0.0025063 k( 346) = ( 0.4763514 0.4763514 0.5472973), wk = 0.0025063 k( 347) = ( 0.4729730 0.4729730 0.5540540), wk = 0.0025063 k( 348) = ( 0.4695946 0.4695946 0.5608108), wk = 0.0025063 k( 349) = ( 0.4662162 0.4662162 0.5675676), wk = 0.0025063 k( 350) = ( 0.4628378 0.4628378 0.5743243), wk = 0.0025063 k( 351) = ( 0.4594595 0.4594595 0.5810811), wk = 0.0025063 k( 352) = ( 0.4560811 0.4560811 0.5878378), wk = 0.0025063 k( 353) = ( 0.4527027 0.4527027 0.5945946), wk = 0.0025063 k( 354) = ( 0.4493243 0.4493243 0.6013513), wk = 0.0025063 k( 355) = ( 0.4459459 0.4459460 0.6081081), wk = 0.0025063 k( 356) = ( 0.4425676 0.4425676 0.6148649), wk = 0.0025063 k( 357) = ( 0.4391892 0.4391892 0.6216216), wk = 0.0025063 k( 358) = ( 0.4358108 0.4358108 0.6283784), wk = 0.0025063 k( 359) = ( 0.4324324 0.4324324 0.6351351), wk = 0.0025063 k( 360) = ( 0.4290541 0.4290541 0.6418919), wk = 0.0025063 k( 361) = ( 0.4256757 0.4256757 0.6486487), wk = 0.0025063 k( 362) = ( 0.4222973 0.4222973 0.6554054), wk = 0.0025063 k( 363) = ( 0.4189189 0.4189189 0.6621622), wk = 0.0025063 k( 364) = ( 0.4155405 0.4155405 0.6689189), wk = 0.0025063 k( 365) = ( 0.4121622 0.4121622 0.6756757), wk = 0.0025063 k( 366) = ( 0.4087838 0.4087838 0.6824324), wk = 0.0025063 k( 367) = ( 0.4054054 0.4054054 0.6891892), wk = 0.0025063 k( 368) = ( 0.4020270 0.4020270 0.6959460), wk = 0.0025063 k( 369) = ( 0.3986486 0.3986487 0.7027027), wk = 0.0025063 k( 370) = ( 0.3952703 0.3952703 0.7094595), wk = 0.0025063 k( 371) = ( 0.3918919 0.3918919 0.7162162), wk = 0.0025063 k( 372) = ( 0.3885135 0.3885135 0.7229730), wk = 0.0025063 k( 373) = ( 0.3851351 0.3851351 0.7297297), wk = 0.0025063 k( 374) = ( 0.3817568 0.3817568 0.7364865), wk = 0.0025063 k( 375) = ( 0.3783784 0.3783784 0.7432432), wk = 0.0025063 k( 376) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0025063 k( 377) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0025063 k( 378) = ( 0.6193182 0.2386364 0.6193182), wk = 0.0025063 k( 379) = ( 0.6136364 0.2272727 0.6136364), wk = 0.0025063 k( 380) = ( 0.6079545 0.2159091 0.6079545), wk = 0.0025063 k( 381) = ( 0.6022727 0.2045455 0.6022727), wk = 0.0025063 k( 382) = ( 0.5965909 0.1931818 0.5965909), wk = 0.0025063 k( 383) = ( 0.5909091 0.1818182 0.5909091), wk = 0.0025063 k( 384) = ( 0.5852273 0.1704546 0.5852273), wk = 0.0025063 k( 385) = ( 0.5795455 0.1590909 0.5795455), wk = 0.0025063 k( 386) = ( 0.5738636 0.1477273 0.5738636), wk = 0.0025063 k( 387) = ( 0.5681818 0.1363636 0.5681818), wk = 0.0025063 k( 388) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0025063 k( 389) = ( 0.5568182 0.1136364 0.5568182), wk = 0.0025063 k( 390) = ( 0.5511364 0.1022727 0.5511364), wk = 0.0025063 k( 391) = ( 0.5454545 0.0909091 0.5454545), wk = 0.0025063 k( 392) = ( 0.5397727 0.0795455 0.5397727), wk = 0.0025063 k( 393) = ( 0.5340909 0.0681818 0.5340909), wk = 0.0025063 k( 394) = ( 0.5284091 0.0568182 0.5284091), wk = 0.0025063 k( 395) = ( 0.5227273 0.0454546 0.5227273), wk = 0.0025063 k( 396) = ( 0.5170455 0.0340909 0.5170455), wk = 0.0025063 k( 397) = ( 0.5113636 0.0227273 0.5113636), wk = 0.0025063 k( 398) = ( 0.5056818 0.0113636 0.5056818), wk = 0.0025063 k( 399) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025063 Dense grid: 23505 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 11935 G-vectors FFT dimensions: ( 32, 32, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 88, 32) NL pseudopotentials 0.04 Mb ( 44, 62) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.00 Mb ( 655) G-vector shells 0.00 Mb ( 223) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.17 Mb ( 88, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.06 Mb ( 62, 2, 32) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./CaF2.save/charge-density.dat Starting wfc are 32 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 3.7 secs Computing kpt #: 4 total cpu time spent up to now is 3.9 secs Computing kpt #: 5 total cpu time spent up to now is 4.0 secs Computing kpt #: 6 total cpu time spent up to now is 4.2 secs Computing kpt #: 7 total cpu time spent up to now is 4.3 secs Computing kpt #: 8 total cpu time spent up to now is 4.5 secs Computing kpt #: 9 total cpu time spent up to now is 4.7 secs Computing kpt #: 10 total cpu time spent up to now is 4.8 secs Computing kpt #: 11 total cpu time spent up to now is 5.0 secs Computing kpt #: 12 total cpu time spent up to now is 5.1 secs Computing kpt #: 13 total cpu time spent up to now is 5.3 secs Computing kpt #: 14 total cpu time spent up to now is 5.4 secs Computing kpt #: 15 total cpu time spent up to now is 5.6 secs Computing kpt #: 16 total cpu time spent up to now is 5.7 secs Computing kpt #: 17 total cpu time spent up to now is 5.9 secs Computing kpt #: 18 total cpu time spent up to now is 6.0 secs Computing kpt #: 19 total cpu time spent up to now is 6.2 secs Computing kpt #: 20 total cpu time spent up to now is 6.3 secs Computing kpt #: 21 total cpu time spent up to now is 6.5 secs Computing kpt #: 22 total cpu time spent up to now is 6.6 secs Computing kpt #: 23 total cpu time spent up to now is 6.8 secs Computing kpt #: 24 total cpu time spent up to now is 6.9 secs Computing kpt #: 25 total cpu time spent up to now is 7.1 secs Computing kpt #: 26 total cpu time spent up to now is 7.2 secs Computing kpt #: 27 total cpu time spent up to now is 7.4 secs Computing kpt #: 28 total cpu time spent up to now is 7.5 secs Computing kpt #: 29 total cpu time spent up to now is 7.7 secs Computing kpt #: 30 total cpu time spent up to now is 7.8 secs Computing kpt #: 31 total cpu time spent up to now is 7.9 secs Computing kpt #: 32 total cpu time spent up to now is 8.1 secs Computing kpt #: 33 total cpu time spent up to now is 8.2 secs Computing kpt #: 34 total cpu time spent up to now is 8.4 secs Computing kpt #: 35 total cpu time spent up to now is 8.5 secs Computing kpt #: 36 total cpu time spent up to now is 8.7 secs Computing kpt #: 37 total cpu time spent up to now is 8.8 secs Computing kpt #: 38 total cpu time spent up to now is 9.0 secs Computing kpt #: 39 total cpu time spent up to now is 9.1 secs Computing kpt #: 40 total cpu time spent up to now is 9.3 secs Computing kpt #: 41 total cpu time spent up to now is 9.4 secs Computing kpt #: 42 total cpu time spent up to now is 9.5 secs Computing kpt #: 43 total cpu time spent up to now is 9.7 secs Computing kpt #: 44 total cpu time spent up to now is 9.9 secs Computing kpt #: 45 total cpu time spent up to now is 10.0 secs Computing kpt #: 46 total cpu time spent up to now is 10.2 secs Computing kpt #: 47 total cpu time spent up to now is 10.4 secs Computing kpt #: 48 total cpu time spent up to now is 10.5 secs Computing kpt #: 49 total cpu time spent up to now is 10.7 secs Computing kpt #: 50 total cpu time spent up to now is 10.8 secs Computing kpt #: 51 total cpu time spent up to now is 11.0 secs Computing kpt #: 52 total cpu time spent up to now is 11.1 secs Computing kpt #: 53 total cpu time spent up to now is 11.3 secs Computing kpt #: 54 total cpu time spent up to now is 11.4 secs Computing kpt #: 55 total cpu time spent up to now is 11.6 secs Computing kpt #: 56 total cpu time spent up to now is 11.8 secs Computing kpt #: 57 total cpu time spent up to now is 11.9 secs Computing kpt #: 58 total cpu time spent up to now is 12.1 secs Computing kpt #: 59 total cpu time spent up to now is 12.2 secs Computing kpt #: 60 total cpu time spent up to now is 12.4 secs Computing kpt #: 61 total cpu time spent up to now is 12.5 secs Computing kpt #: 62 total cpu time spent up to now is 12.7 secs Computing kpt #: 63 total cpu time spent up to now is 12.8 secs Computing kpt #: 64 total cpu time spent up to now is 13.0 secs Computing kpt #: 65 total cpu time spent up to now is 13.1 secs Computing kpt #: 66 total cpu time spent up to now is 13.3 secs Computing kpt #: 67 total cpu time spent up to now is 13.4 secs Computing kpt #: 68 total cpu time spent up to now is 13.6 secs Computing kpt #: 69 total cpu time spent up to now is 13.7 secs Computing kpt #: 70 total cpu time spent up to now is 13.9 secs Computing kpt #: 71 total cpu time spent up to now is 14.0 secs Computing kpt #: 72 total cpu time spent up to now is 14.2 secs Computing kpt #: 73 total cpu time spent up to now is 14.3 secs Computing kpt #: 74 total cpu time spent up to now is 14.5 secs Computing kpt #: 75 total cpu time spent up to now is 14.6 secs Computing kpt #: 76 total cpu time spent up to now is 14.7 secs Computing kpt #: 77 total cpu time spent up to now is 14.9 secs Computing kpt #: 78 total cpu time spent up to now is 15.0 secs Computing kpt #: 79 total cpu time spent up to now is 15.2 secs Computing kpt #: 80 total cpu time spent up to now is 15.3 secs Computing kpt #: 81 total cpu time spent up to now is 15.4 secs Computing kpt #: 82 total cpu time spent up to now is 15.6 secs Computing kpt #: 83 total cpu time spent up to now is 15.7 secs Computing kpt #: 84 total cpu time spent up to now is 16.2 secs Computing kpt #: 85 total cpu time spent up to now is 16.3 secs Computing kpt #: 86 total cpu time spent up to now is 16.4 secs Computing kpt #: 87 total cpu time spent up to now is 16.6 secs Computing kpt #: 88 total cpu time spent up to now is 16.7 secs Computing kpt #: 89 total cpu time spent up to now is 16.8 secs Computing kpt #: 90 total cpu time spent up to now is 17.0 secs Computing kpt #: 91 total cpu time spent up to now is 17.1 secs Computing kpt #: 92 total cpu time spent up to now is 17.2 secs Computing kpt #: 93 total cpu time spent up to now is 17.4 secs Computing kpt #: 94 total cpu time spent up to now is 17.5 secs Computing kpt #: 95 total cpu time spent up to now is 17.6 secs Computing kpt #: 96 total cpu time spent up to now is 17.8 secs Computing kpt #: 97 total cpu time spent up to now is 17.9 secs Computing kpt #: 98 total cpu time spent up to now is 18.0 secs Computing kpt #: 99 total cpu time spent up to now is 18.2 secs Computing kpt #: 100 total cpu time spent up to now is 18.3 secs Computing kpt #: 101 total cpu time spent up to now is 18.4 secs Computing kpt #: 102 total cpu time spent up to now is 18.6 secs Computing kpt #: 103 total cpu time spent up to now is 18.7 secs Computing kpt #: 104 total cpu time spent up to now is 18.9 secs Computing kpt #: 105 total cpu time spent up to now is 19.0 secs Computing kpt #: 106 total cpu time spent up to now is 19.1 secs Computing kpt #: 107 total cpu time spent up to now is 19.3 secs Computing kpt #: 108 total cpu time spent up to now is 19.4 secs Computing kpt #: 109 total cpu time spent up to now is 19.6 secs Computing kpt #: 110 total cpu time spent up to now is 19.7 secs Computing kpt #: 111 total cpu time spent up to now is 19.9 secs Computing kpt #: 112 total cpu time spent up to now is 20.0 secs Computing kpt #: 113 total cpu time spent up to now is 20.1 secs Computing kpt #: 114 total cpu time spent up to now is 20.3 secs Computing kpt #: 115 total cpu time spent up to now is 20.4 secs Computing kpt #: 116 total cpu time spent up to now is 20.6 secs Computing kpt #: 117 total cpu time spent up to now is 20.7 secs Computing kpt #: 118 total cpu time spent up to now is 20.9 secs Computing kpt #: 119 total cpu time spent up to now is 21.0 secs Computing kpt #: 120 total cpu time spent up to now is 21.1 secs Computing kpt #: 121 total cpu time spent up to now is 21.3 secs Computing kpt #: 122 total cpu time spent up to now is 21.4 secs Computing kpt #: 123 total cpu time spent up to now is 21.6 secs Computing kpt #: 124 total cpu time spent up to now is 21.7 secs Computing kpt #: 125 total cpu time spent up to now is 21.8 secs Computing kpt #: 126 total cpu time spent up to now is 22.0 secs Computing kpt #: 127 total cpu time spent up to now is 22.1 secs Computing kpt #: 128 total cpu time spent up to now is 22.2 secs Computing kpt #: 129 total cpu time spent up to now is 22.4 secs Computing kpt #: 130 total cpu time spent up to now is 22.5 secs Computing kpt #: 131 total cpu time spent up to now is 22.6 secs Computing kpt #: 132 total cpu time spent up to now is 22.8 secs Computing kpt #: 133 total cpu time spent up to now is 22.9 secs Computing kpt #: 134 total cpu time spent up to now is 23.0 secs Computing kpt #: 135 total cpu time spent up to now is 23.2 secs Computing kpt #: 136 total cpu time spent up to now is 23.3 secs Computing kpt #: 137 total cpu time spent up to now is 23.4 secs Computing kpt #: 138 total cpu time spent up to now is 23.6 secs Computing kpt #: 139 total cpu time spent up to now is 23.7 secs Computing kpt #: 140 total cpu time spent up to now is 23.8 secs Computing kpt #: 141 total cpu time spent up to now is 24.0 secs Computing kpt #: 142 total cpu time spent up to now is 24.1 secs Computing kpt #: 143 total cpu time spent up to now is 24.2 secs Computing kpt #: 144 total cpu time spent up to now is 24.4 secs Computing kpt #: 145 total cpu time spent up to now is 24.5 secs Computing kpt #: 146 total cpu time spent up to now is 24.6 secs Computing kpt #: 147 total cpu time spent up to now is 24.8 secs Computing kpt #: 148 total cpu time spent up to now is 24.9 secs Computing kpt #: 149 total cpu time spent up to now is 25.0 secs Computing kpt #: 150 total cpu time spent up to now is 25.2 secs Computing kpt #: 151 total cpu time spent up to now is 25.3 secs Computing kpt #: 152 total cpu time spent up to now is 25.5 secs Computing kpt #: 153 total cpu time spent up to now is 25.6 secs Computing kpt #: 154 total cpu time spent up to now is 25.7 secs Computing kpt #: 155 total cpu time spent up to now is 25.9 secs Computing kpt #: 156 total cpu time spent up to now is 26.0 secs Computing kpt #: 157 total cpu time spent up to now is 26.1 secs Computing kpt #: 158 total cpu time spent up to now is 26.3 secs Computing kpt #: 159 total cpu time spent up to now is 26.4 secs Computing kpt #: 160 total cpu time spent up to now is 26.6 secs Computing kpt #: 161 total cpu time spent up to now is 26.7 secs Computing kpt #: 162 total cpu time spent up to now is 26.8 secs Computing kpt #: 163 total cpu time spent up to now is 27.0 secs Computing kpt #: 164 total cpu time spent up to now is 27.1 secs Computing kpt #: 165 total cpu time spent up to now is 27.3 secs Computing kpt #: 166 total cpu time spent up to now is 27.4 secs Computing kpt #: 167 total cpu time spent up to now is 27.5 secs Computing kpt #: 168 total cpu time spent up to now is 27.7 secs Computing kpt #: 169 total cpu time spent up to now is 27.8 secs Computing kpt #: 170 total cpu time spent up to now is 28.0 secs Computing kpt #: 171 total cpu time spent up to now is 28.1 secs Computing kpt #: 172 total cpu time spent up to now is 28.3 secs Computing kpt #: 173 total cpu time spent up to now is 28.4 secs Computing kpt #: 174 total cpu time spent up to now is 28.6 secs Computing kpt #: 175 total cpu time spent up to now is 28.7 secs Computing kpt #: 176 total cpu time spent up to now is 28.9 secs Computing kpt #: 177 total cpu time spent up to now is 29.1 secs Computing kpt #: 178 total cpu time spent up to now is 29.2 secs Computing kpt #: 179 total cpu time spent up to now is 29.4 secs Computing kpt #: 180 total cpu time spent up to now is 29.6 secs Computing kpt #: 181 total cpu time spent up to now is 29.8 secs Computing kpt #: 182 total cpu time spent up to now is 29.9 secs Computing kpt #: 183 total cpu time spent up to now is 30.1 secs Computing kpt #: 184 total cpu time spent up to now is 30.3 secs Computing kpt #: 185 total cpu time spent up to now is 30.5 secs Computing kpt #: 186 total cpu time spent up to now is 30.6 secs Computing kpt #: 187 total cpu time spent up to now is 30.8 secs Computing kpt #: 188 total cpu time spent up to now is 30.9 secs Computing kpt #: 189 total cpu time spent up to now is 31.1 secs Computing kpt #: 190 total cpu time spent up to now is 31.2 secs Computing kpt #: 191 total cpu time spent up to now is 31.4 secs Computing kpt #: 192 total cpu time spent up to now is 31.5 secs Computing kpt #: 193 total cpu time spent up to now is 31.7 secs Computing kpt #: 194 total cpu time spent up to now is 31.8 secs Computing kpt #: 195 total cpu time spent up to now is 31.9 secs Computing kpt #: 196 total cpu time spent up to now is 32.1 secs Computing kpt #: 197 total cpu time spent up to now is 32.2 secs Computing kpt #: 198 total cpu time spent up to now is 32.4 secs Computing kpt #: 199 total cpu time spent up to now is 32.5 secs Computing kpt #: 200 total cpu time spent up to now is 32.7 secs Computing kpt #: 201 total cpu time spent up to now is 32.8 secs Computing kpt #: 202 total cpu time spent up to now is 33.0 secs Computing kpt #: 203 total cpu time spent up to now is 33.1 secs Computing kpt #: 204 total cpu time spent up to now is 33.2 secs Computing kpt #: 205 total cpu time spent up to now is 33.4 secs Computing kpt #: 206 total cpu time spent up to now is 33.5 secs Computing kpt #: 207 total cpu time spent up to now is 33.6 secs Computing kpt #: 208 total cpu time spent up to now is 33.8 secs Computing kpt #: 209 total cpu time spent up to now is 33.9 secs Computing kpt #: 210 total cpu time spent up to now is 34.1 secs Computing kpt #: 211 total cpu time spent up to now is 34.2 secs Computing kpt #: 212 total cpu time spent up to now is 34.3 secs Computing kpt #: 213 total cpu time spent up to now is 34.5 secs Computing kpt #: 214 total cpu time spent up to now is 34.6 secs Computing kpt #: 215 total cpu time spent up to now is 34.8 secs Computing kpt #: 216 total cpu time spent up to now is 34.9 secs Computing kpt #: 217 total cpu time spent up to now is 35.0 secs Computing kpt #: 218 total cpu time spent up to now is 35.2 secs Computing kpt #: 219 total cpu time spent up to now is 35.3 secs Computing kpt #: 220 total cpu time spent up to now is 35.5 secs Computing kpt #: 221 total cpu time spent up to now is 35.6 secs Computing kpt #: 222 total cpu time spent up to now is 35.7 secs Computing kpt #: 223 total cpu time spent up to now is 35.9 secs Computing kpt #: 224 total cpu time spent up to now is 36.0 secs Computing kpt #: 225 total cpu time spent up to now is 36.2 secs Computing kpt #: 226 total cpu time spent up to now is 36.3 secs Computing kpt #: 227 total cpu time spent up to now is 36.4 secs Computing kpt #: 228 total cpu time spent up to now is 36.6 secs Computing kpt #: 229 total cpu time spent up to now is 36.7 secs Computing kpt #: 230 total cpu time spent up to now is 36.9 secs Computing kpt #: 231 total cpu time spent up to now is 37.1 secs Computing kpt #: 232 total cpu time spent up to now is 37.2 secs Computing kpt #: 233 total cpu time spent up to now is 37.4 secs Computing kpt #: 234 total cpu time spent up to now is 37.6 secs Computing kpt #: 235 total cpu time spent up to now is 37.7 secs Computing kpt #: 236 total cpu time spent up to now is 37.9 secs Computing kpt #: 237 total cpu time spent up to now is 38.0 secs Computing kpt #: 238 total cpu time spent up to now is 38.2 secs Computing kpt #: 239 total cpu time spent up to now is 38.3 secs Computing kpt #: 240 total cpu time spent up to now is 38.5 secs Computing kpt #: 241 total cpu time spent up to now is 38.6 secs Computing kpt #: 242 total cpu time spent up to now is 38.8 secs Computing kpt #: 243 total cpu time spent up to now is 38.9 secs Computing kpt #: 244 total cpu time spent up to now is 39.0 secs Computing kpt #: 245 total cpu time spent up to now is 39.2 secs Computing kpt #: 246 total cpu time spent up to now is 39.3 secs Computing kpt #: 247 total cpu time spent up to now is 39.5 secs Computing kpt #: 248 total cpu time spent up to now is 39.6 secs Computing kpt #: 249 total cpu time spent up to now is 39.7 secs Computing kpt #: 250 total cpu time spent up to now is 39.9 secs Computing kpt #: 251 total cpu time spent up to now is 40.0 secs Computing kpt #: 252 total cpu time spent up to now is 40.2 secs Computing kpt #: 253 total cpu time spent up to now is 40.3 secs Computing kpt #: 254 total cpu time spent up to now is 40.5 secs Computing kpt #: 255 total cpu time spent up to now is 40.6 secs Computing kpt #: 256 total cpu time spent up to now is 40.7 secs Computing kpt #: 257 total cpu time spent up to now is 40.9 secs Computing kpt #: 258 total cpu time spent up to now is 41.0 secs Computing kpt #: 259 total cpu time spent up to now is 41.2 secs Computing kpt #: 260 total cpu time spent up to now is 41.3 secs Computing kpt #: 261 total cpu time spent up to now is 41.5 secs Computing kpt #: 262 total cpu time spent up to now is 41.6 secs Computing kpt #: 263 total cpu time spent up to now is 41.8 secs Computing kpt #: 264 total cpu time spent up to now is 41.9 secs Computing kpt #: 265 total cpu time spent up to now is 42.1 secs Computing kpt #: 266 total cpu time spent up to now is 42.2 secs Computing kpt #: 267 total cpu time spent up to now is 42.4 secs Computing kpt #: 268 total cpu time spent up to now is 42.5 secs Computing kpt #: 269 total cpu time spent up to now is 42.6 secs Computing kpt #: 270 total cpu time spent up to now is 42.8 secs Computing kpt #: 271 total cpu time spent up to now is 42.9 secs Computing kpt #: 272 total cpu time spent up to now is 43.1 secs Computing kpt #: 273 total cpu time spent up to now is 43.2 secs Computing kpt #: 274 total cpu time spent up to now is 43.4 secs Computing kpt #: 275 total cpu time spent up to now is 43.5 secs Computing kpt #: 276 total cpu time spent up to now is 43.6 secs Computing kpt #: 277 total cpu time spent up to now is 43.8 secs Computing kpt #: 278 total cpu time spent up to now is 43.9 secs Computing kpt #: 279 total cpu time spent up to now is 44.1 secs Computing kpt #: 280 total cpu time spent up to now is 44.2 secs Computing kpt #: 281 total cpu time spent up to now is 44.4 secs Computing kpt #: 282 total cpu time spent up to now is 44.5 secs Computing kpt #: 283 total cpu time spent up to now is 44.7 secs Computing kpt #: 284 total cpu time spent up to now is 44.8 secs Computing kpt #: 285 total cpu time spent up to now is 45.0 secs Computing kpt #: 286 total cpu time spent up to now is 45.1 secs Computing kpt #: 287 total cpu time spent up to now is 45.3 secs Computing kpt #: 288 total cpu time spent up to now is 45.4 secs Computing kpt #: 289 total cpu time spent up to now is 45.5 secs Computing kpt #: 290 total cpu time spent up to now is 45.7 secs Computing kpt #: 291 total cpu time spent up to now is 45.8 secs Computing kpt #: 292 total cpu time spent up to now is 46.2 secs Computing kpt #: 293 total cpu time spent up to now is 46.3 secs Computing kpt #: 294 total cpu time spent up to now is 46.4 secs Computing kpt #: 295 total cpu time spent up to now is 46.6 secs Computing kpt #: 296 total cpu time spent up to now is 46.7 secs Computing kpt #: 297 total cpu time spent up to now is 46.9 secs Computing kpt #: 298 total cpu time spent up to now is 47.0 secs Computing kpt #: 299 total cpu time spent up to now is 47.1 secs Computing kpt #: 300 total cpu time spent up to now is 47.3 secs Computing kpt #: 301 total cpu time spent up to now is 47.4 secs Computing kpt #: 302 total cpu time spent up to now is 47.5 secs Computing kpt #: 303 total cpu time spent up to now is 47.7 secs Computing kpt #: 304 total cpu time spent up to now is 47.8 secs Computing kpt #: 305 total cpu time spent up to now is 47.9 secs Computing kpt #: 306 total cpu time spent up to now is 48.1 secs Computing kpt #: 307 total cpu time spent up to now is 48.2 secs Computing kpt #: 308 total cpu time spent up to now is 48.4 secs Computing kpt #: 309 total cpu time spent up to now is 48.5 secs Computing kpt #: 310 total cpu time spent up to now is 48.7 secs Computing kpt #: 311 total cpu time spent up to now is 48.8 secs Computing kpt #: 312 total cpu time spent up to now is 48.9 secs Computing kpt #: 313 total cpu time spent up to now is 49.1 secs Computing kpt #: 314 total cpu time spent up to now is 49.2 secs Computing kpt #: 315 total cpu time spent up to now is 49.4 secs Computing kpt #: 316 total cpu time spent up to now is 49.5 secs Computing kpt #: 317 total cpu time spent up to now is 49.7 secs Computing kpt #: 318 total cpu time spent up to now is 49.8 secs Computing kpt #: 319 total cpu time spent up to now is 49.9 secs Computing kpt #: 320 total cpu time spent up to now is 50.1 secs Computing kpt #: 321 total cpu time spent up to now is 50.2 secs Computing kpt #: 322 total cpu time spent up to now is 50.4 secs Computing kpt #: 323 total cpu time spent up to now is 50.5 secs Computing kpt #: 324 total cpu time spent up to now is 50.6 secs Computing kpt #: 325 total cpu time spent up to now is 50.8 secs Computing kpt #: 326 total cpu time spent up to now is 51.0 secs Computing kpt #: 327 total cpu time spent up to now is 51.2 secs Computing kpt #: 328 total cpu time spent up to now is 51.3 secs Computing kpt #: 329 total cpu time spent up to now is 51.4 secs Computing kpt #: 330 total cpu time spent up to now is 51.6 secs Computing kpt #: 331 total cpu time spent up to now is 51.7 secs Computing kpt #: 332 total cpu time spent up to now is 51.9 secs Computing kpt #: 333 total cpu time spent up to now is 52.0 secs Computing kpt #: 334 total cpu time spent up to now is 52.1 secs Computing kpt #: 335 total cpu time spent up to now is 52.3 secs Computing kpt #: 336 total cpu time spent up to now is 52.4 secs Computing kpt #: 337 total cpu time spent up to now is 52.5 secs Computing kpt #: 338 total cpu time spent up to now is 52.7 secs Computing kpt #: 339 total cpu time spent up to now is 52.8 secs Computing kpt #: 340 total cpu time spent up to now is 53.0 secs Computing kpt #: 341 total cpu time spent up to now is 53.1 secs Computing kpt #: 342 total cpu time spent up to now is 53.2 secs Computing kpt #: 343 total cpu time spent up to now is 53.4 secs Computing kpt #: 344 total cpu time spent up to now is 53.5 secs Computing kpt #: 345 total cpu time spent up to now is 53.7 secs Computing kpt #: 346 total cpu time spent up to now is 53.8 secs Computing kpt #: 347 total cpu time spent up to now is 53.9 secs Computing kpt #: 348 total cpu time spent up to now is 54.1 secs Computing kpt #: 349 total cpu time spent up to now is 54.2 secs Computing kpt #: 350 total cpu time spent up to now is 54.4 secs Computing kpt #: 351 total cpu time spent up to now is 54.5 secs Computing kpt #: 352 total cpu time spent up to now is 54.6 secs Computing kpt #: 353 total cpu time spent up to now is 54.8 secs Computing kpt #: 354 total cpu time spent up to now is 54.9 secs Computing kpt #: 355 total cpu time spent up to now is 55.1 secs Computing kpt #: 356 total cpu time spent up to now is 55.2 secs Computing kpt #: 357 total cpu time spent up to now is 55.3 secs Computing kpt #: 358 total cpu time spent up to now is 55.5 secs Computing kpt #: 359 total cpu time spent up to now is 55.6 secs Computing kpt #: 360 total cpu time spent up to now is 55.8 secs Computing kpt #: 361 total cpu time spent up to now is 55.9 secs Computing kpt #: 362 total cpu time spent up to now is 56.0 secs Computing kpt #: 363 total cpu time spent up to now is 56.2 secs Computing kpt #: 364 total cpu time spent up to now is 56.3 secs Computing kpt #: 365 total cpu time spent up to now is 56.5 secs Computing kpt #: 366 total cpu time spent up to now is 56.6 secs Computing kpt #: 367 total cpu time spent up to now is 56.8 secs Computing kpt #: 368 total cpu time spent up to now is 56.9 secs Computing kpt #: 369 total cpu time spent up to now is 57.1 secs Computing kpt #: 370 total cpu time spent up to now is 57.2 secs Computing kpt #: 371 total cpu time spent up to now is 57.3 secs Computing kpt #: 372 total cpu time spent up to now is 57.5 secs Computing kpt #: 373 total cpu time spent up to now is 57.6 secs Computing kpt #: 374 total cpu time spent up to now is 57.8 secs Computing kpt #: 375 total cpu time spent up to now is 57.9 secs Computing kpt #: 376 total cpu time spent up to now is 58.1 secs Computing kpt #: 377 total cpu time spent up to now is 58.2 secs Computing kpt #: 378 total cpu time spent up to now is 58.3 secs Computing kpt #: 379 total cpu time spent up to now is 58.5 secs Computing kpt #: 380 total cpu time spent up to now is 58.6 secs Computing kpt #: 381 total cpu time spent up to now is 58.8 secs Computing kpt #: 382 total cpu time spent up to now is 58.9 secs Computing kpt #: 383 total cpu time spent up to now is 59.1 secs Computing kpt #: 384 total cpu time spent up to now is 59.2 secs Computing kpt #: 385 total cpu time spent up to now is 59.4 secs Computing kpt #: 386 total cpu time spent up to now is 59.5 secs Computing kpt #: 387 total cpu time spent up to now is 59.7 secs Computing kpt #: 388 total cpu time spent up to now is 59.8 secs Computing kpt #: 389 total cpu time spent up to now is 59.9 secs Computing kpt #: 390 total cpu time spent up to now is 60.1 secs Computing kpt #: 391 total cpu time spent up to now is 60.2 secs Computing kpt #: 392 total cpu time spent up to now is 60.4 secs Computing kpt #: 393 total cpu time spent up to now is 60.5 secs Computing kpt #: 394 total cpu time spent up to now is 60.7 secs Computing kpt #: 395 total cpu time spent up to now is 60.8 secs Computing kpt #: 396 total cpu time spent up to now is 61.0 secs Computing kpt #: 397 total cpu time spent up to now is 61.1 secs Computing kpt #: 398 total cpu time spent up to now is 61.3 secs Computing kpt #: 399 total cpu time spent up to now is 61.5 secs ethr = 4.17E-08, avg # of iterations = 16.8 total cpu time spent up to now is 61.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1459 PWs) bands (ev): -31.1236 -31.1236 -15.7472 -15.7472 -14.8155 -14.8155 -12.3053 -12.3053 -11.9285 -11.9285 -11.9285 -11.9285 1.9569 1.9569 2.0045 2.0045 2.0045 2.0045 4.1184 4.1184 4.1877 4.1877 4.1877 4.1877 12.3617 12.3617 13.9978 13.9978 13.9978 13.9978 16.4931 16.4931 k = 0.0083-0.0048 0.0068 ( 1459 PWs) bands (ev): -31.1236 -31.1236 -15.7475 -15.7475 -14.8158 -14.8158 -12.3052 -12.3052 -11.9286 -11.9286 -11.9281 -11.9281 1.9576 1.9576 2.0048 2.0048 2.0055 2.0055 4.1176 4.1176 4.1861 4.1861 4.1878 4.1878 12.3644 12.3644 13.9977 13.9977 13.9984 13.9984 16.4925 16.4925 k = 0.0167-0.0096 0.0136 ( 1459 PWs) bands (ev): -31.1234 -31.1234 -15.7486 -15.7486 -14.8166 -14.8166 -12.3047 -12.3047 -11.9289 -11.9289 -11.9270 -11.9270 1.9596 1.9596 2.0057 2.0057 2.0088 2.0088 4.1150 4.1150 4.1815 4.1815 4.1880 4.1880 12.3724 12.3724 13.9975 13.9975 14.0003 14.0003 16.4901 16.4901 k = 0.0250-0.0144 0.0204 ( 1459 PWs) bands (ev): -31.1232 -31.1232 -15.7504 -15.7504 -14.8181 -14.8181 -12.3041 -12.3041 -11.9295 -11.9295 -11.9253 -11.9253 1.9626 1.9626 2.0072 2.0072 2.0144 2.0144 4.1097 4.1097 4.1749 4.1749 4.1884 4.1884 12.3857 12.3857 13.9971 13.9971 14.0035 14.0035 16.4854 16.4854 k = 0.0333-0.0192 0.0272 ( 1459 PWs) bands (ev): -31.1228 -31.1228 -15.7528 -15.7528 -14.8200 -14.8200 -12.3031 -12.3031 -11.9303 -11.9303 -11.9227 -11.9227 1.9666 1.9666 2.0092 2.0092 2.0227 2.0227 4.1003 4.1003 4.1677 4.1677 4.1889 4.1889 12.4044 12.4044 13.9965 13.9965 14.0079 14.0079 16.4787 16.4787 k = 0.0417-0.0241 0.0340 ( 1459 PWs) bands (ev): -31.1223 -31.1223 -15.7559 -15.7559 -14.8226 -14.8226 -12.3020 -12.3020 -11.9313 -11.9313 -11.9194 -11.9194 1.9711 1.9711 2.0119 2.0119 2.0338 2.0338 4.0852 4.0852 4.1616 4.1616 4.1896 4.1896 12.4281 12.4281 13.9957 13.9957 14.0136 14.0136 16.4700 16.4700 k = 0.0500-0.0289 0.0408 ( 1459 PWs) bands (ev): -31.1217 -31.1217 -15.7597 -15.7597 -14.8256 -14.8256 -12.3007 -12.3007 -11.9326 -11.9326 -11.9154 -11.9154 1.9761 1.9761 2.0152 2.0152 2.0478 2.0478 4.0638 4.0638 4.1573 4.1573 4.1903 4.1903 12.4570 12.4570 13.9946 13.9946 14.0205 14.0205 16.4594 16.4594 k = 0.0583-0.0337 0.0476 ( 1459 PWs) bands (ev): -31.1210 -31.1210 -15.7641 -15.7641 -14.8293 -14.8293 -12.2992 -12.2992 -11.9340 -11.9340 -11.9105 -11.9105 1.9814 1.9814 2.0191 2.0191 2.0648 2.0648 4.0363 4.0363 4.1548 4.1548 4.1912 4.1912 12.4908 12.4908 13.9933 13.9933 14.0286 14.0286 16.4469 16.4469 k = 0.0667-0.0385 0.0544 ( 1463 PWs) bands (ev): -31.1203 -31.1203 -15.7692 -15.7692 -14.8334 -14.8334 -12.2977 -12.2977 -11.9357 -11.9357 -11.9049 -11.9049 1.9872 1.9872 2.0236 2.0236 2.0849 2.0849 4.0034 4.0034 4.1535 4.1535 4.1922 4.1922 12.5295 12.5295 13.9916 13.9916 14.0379 14.0379 16.4324 16.4324 k = 0.0750-0.0433 0.0612 ( 1459 PWs) bands (ev): -31.1194 -31.1194 -15.7749 -15.7749 -14.8380 -14.8380 -12.2961 -12.2961 -11.9376 -11.9376 -11.8984 -11.8984 1.9933 1.9933 2.0286 2.0286 2.1079 2.1079 3.9657 3.9657 4.1530 4.1530 4.1932 4.1932 12.5727 12.5727 13.9897 13.9897 14.0485 14.0485 16.4160 16.4160 k = 0.0833-0.0481 0.0680 ( 1459 PWs) bands (ev): -31.1184 -31.1184 -15.7811 -15.7811 -14.8432 -14.8432 -12.2945 -12.2945 -11.9397 -11.9397 -11.8910 -11.8910 1.9999 1.9999 2.0343 2.0343 2.1337 2.1337 3.9236 3.9236 4.1531 4.1531 4.1943 4.1943 12.6205 12.6205 13.9873 13.9873 14.0602 14.0602 16.3977 16.3977 k = 0.0917-0.0529 0.0748 ( 1459 PWs) bands (ev): -31.1173 -31.1173 -15.7879 -15.7879 -14.8488 -14.8488 -12.2929 -12.2929 -11.9420 -11.9420 -11.8828 -11.8828 2.0070 2.0070 2.0405 2.0405 2.1622 2.1622 3.8776 3.8776 4.1535 4.1535 4.1955 4.1955 12.6725 12.6725 13.9845 13.9845 14.0731 14.0731 16.3776 16.3776 k = 0.1000-0.0577 0.0816 ( 1459 PWs) bands (ev): -31.1162 -31.1162 -15.7953 -15.7953 -14.8549 -14.8549 -12.2914 -12.2914 -11.9445 -11.9445 -11.8737 -11.8737 2.0146 2.0146 2.0474 2.0474 2.1934 2.1934 3.8279 3.8279 4.1541 4.1541 4.1966 4.1966 12.7284 12.7284 13.9813 13.9813 14.0872 14.0872 16.3556 16.3556 k = 0.1083-0.0625 0.0885 ( 1451 PWs) bands (ev): -31.1149 -31.1149 -15.8031 -15.8031 -14.8614 -14.8614 -12.2900 -12.2900 -11.9471 -11.9471 -11.8637 -11.8637 2.0227 2.0227 2.0549 2.0549 2.2272 2.2272 3.7749 3.7749 4.1549 4.1549 4.1977 4.1977 12.7881 12.7881 13.9779 13.9779 14.1023 14.1023 16.3318 16.3318 k = 0.1167-0.0674 0.0953 ( 1459 PWs) bands (ev): -31.1136 -31.1136 -15.8114 -15.8114 -14.8684 -14.8684 -12.2889 -12.2889 -11.9500 -11.9500 -11.8529 -11.8529 2.0314 2.0314 2.0629 2.0629 2.2634 2.2634 3.7189 3.7189 4.1557 4.1557 4.1988 4.1988 12.8512 12.8512 13.9740 13.9740 14.1186 14.1186 16.3061 16.3061 k = 0.1250-0.0722 0.1021 ( 1459 PWs) bands (ev): -31.1122 -31.1122 -15.8202 -15.8202 -14.8757 -14.8757 -12.2879 -12.2879 -11.9530 -11.9530 -11.8412 -11.8412 2.0406 2.0406 2.0715 2.0715 2.3021 2.3021 3.6601 3.6601 4.1565 4.1565 4.1998 4.1998 12.9172 12.9172 13.9703 13.9703 14.1358 14.1358 16.2785 16.2785 k = 0.1333-0.0770 0.1089 ( 1459 PWs) bands (ev): -31.1107 -31.1107 -15.8293 -15.8293 -14.8835 -14.8835 -12.2871 -12.2871 -11.9561 -11.9561 -11.8286 -11.8286 2.0503 2.0503 2.0807 2.0807 2.3431 2.3431 3.5988 3.5988 4.1573 4.1573 4.2007 4.2007 12.9857 12.9857 13.9671 13.9671 14.1542 14.1542 16.2492 16.2492 k = 0.1417-0.0818 0.1157 ( 1471 PWs) bands (ev): -31.1092 -31.1092 -15.8389 -15.8389 -14.8916 -14.8916 -12.2866 -12.2866 -11.9595 -11.9595 -11.8152 -11.8152 2.0606 2.0606 2.0905 2.0905 2.3862 2.3862 3.5352 3.5352 4.1580 4.1580 4.2015 4.2015 13.0560 13.0560 13.9645 13.9645 14.1734 14.1734 16.2181 16.2181 k = 0.1500-0.0866 0.1225 ( 1459 PWs) bands (ev): -31.1076 -31.1076 -15.8487 -15.8487 -14.9000 -14.9000 -12.2863 -12.2863 -11.9629 -11.9629 -11.8009 -11.8009 2.0715 2.0715 2.1008 2.1008 2.4317 2.4317 3.4699 3.4699 4.1587 4.1587 4.2022 4.2022 13.1272 13.1272 13.9639 13.9639 14.1937 14.1937 16.1855 16.1855 k = 0.1583-0.0914 0.1293 ( 1463 PWs) bands (ev): -31.1059 -31.1059 -15.8588 -15.8588 -14.9088 -14.9088 -12.2863 -12.2863 -11.9666 -11.9666 -11.7859 -11.7859 2.0829 2.0829 2.1117 2.1117 2.4792 2.4792 3.4026 3.4026 4.1591 4.1591 4.2026 4.2026 13.1981 13.1981 13.9656 13.9656 14.2148 14.2148 16.1510 16.1510 k = 0.1667-0.0962 0.1361 ( 1463 PWs) bands (ev): -31.1041 -31.1041 -15.8693 -15.8693 -14.9178 -14.9178 -12.2866 -12.2866 -11.9703 -11.9703 -11.7701 -11.7701 2.0948 2.0948 2.1232 2.1232 2.5286 2.5286 3.3339 3.3339 4.1594 4.1594 4.2029 4.2029 13.2669 13.2669 13.9716 13.9716 14.2368 14.2368 16.1149 16.1149 k = 0.1750-0.1010 0.1429 ( 1463 PWs) bands (ev): -31.1023 -31.1023 -15.8799 -15.8799 -14.9270 -14.9270 -12.2871 -12.2871 -11.9741 -11.9741 -11.7537 -11.7537 2.1073 2.1073 2.1352 2.1352 2.5799 2.5799 3.2640 3.2640 4.1595 4.1595 4.2029 4.2029 13.3313 13.3313 13.9840 13.9840 14.2597 14.2597 16.0772 16.0772 k = 0.1833-0.1058 0.1497 ( 1471 PWs) bands (ev): -31.1005 -31.1005 -15.8908 -15.8908 -14.9365 -14.9365 -12.2879 -12.2879 -11.9781 -11.9781 -11.7366 -11.7366 2.1203 2.1203 2.1476 2.1476 2.6329 2.6329 3.1930 3.1930 4.1593 4.1593 4.2027 4.2027 13.3886 13.3886 14.0057 14.0057 14.2832 14.2832 16.0379 16.0379 k = 0.1917-0.1107 0.1565 ( 1479 PWs) bands (ev): -31.0986 -31.0986 -15.9018 -15.9018 -14.9462 -14.9462 -12.2890 -12.2890 -11.9822 -11.9822 -11.7189 -11.7189 2.1338 2.1338 2.1607 2.1607 2.6876 2.6876 3.1213 3.1213 4.1588 4.1588 4.2022 4.2022 13.4357 13.4357 14.0394 14.0394 14.3075 14.3075 15.9972 15.9972 k = 0.2000-0.1155 0.1633 ( 1479 PWs) bands (ev): -31.0967 -31.0967 -15.9130 -15.9130 -14.9561 -14.9561 -12.2903 -12.2903 -11.9863 -11.9863 -11.7007 -11.7007 2.1478 2.1478 2.1742 2.1742 2.7439 2.7439 3.0490 3.0490 4.1581 4.1581 4.2013 4.2013 13.4703 13.4703 14.0875 14.0875 14.3325 14.3325 15.9551 15.9551 k = 0.2083-0.1203 0.1701 ( 1479 PWs) bands (ev): -31.0947 -31.0947 -15.9242 -15.9242 -14.9661 -14.9661 -12.2918 -12.2918 -11.9904 -11.9904 -11.6820 -11.6820 2.1623 2.1623 2.1882 2.1882 2.8015 2.8015 2.9764 2.9764 4.1570 4.1570 4.2002 4.2002 13.4920 13.4920 14.1504 14.1504 14.3581 14.3581 15.9116 15.9116 k = 0.2167-0.1251 0.1769 ( 1479 PWs) bands (ev): -31.0927 -31.0927 -15.9355 -15.9355 -14.9762 -14.9762 -12.2935 -12.2935 -11.9947 -11.9947 -11.6629 -11.6629 2.1773 2.1773 2.2027 2.2027 2.8604 2.8604 2.9036 2.9036 4.1556 4.1556 4.1987 4.1987 13.5019 13.5019 14.2270 14.2270 14.3843 14.3843 15.8668 15.8668 k = 0.2250-0.1299 0.1837 ( 1479 PWs) bands (ev): -31.0907 -31.0907 -15.9468 -15.9468 -14.9864 -14.9864 -12.2954 -12.2954 -11.9989 -11.9989 -11.6435 -11.6435 2.1927 2.1927 2.2176 2.2176 2.8309 2.8309 2.9204 2.9204 4.1538 4.1538 4.1968 4.1968 13.5019 13.5019 14.3153 14.3153 14.4110 14.4110 15.8209 15.8209 k = 0.2333-0.1347 0.1905 ( 1479 PWs) bands (ev): -31.0887 -31.0887 -15.9581 -15.9581 -14.9966 -14.9966 -12.2975 -12.2975 -12.0032 -12.0032 -11.6238 -11.6238 2.2085 2.2085 2.2329 2.2329 2.7585 2.7585 2.9814 2.9814 4.1517 4.1517 4.1945 4.1945 13.4943 13.4943 14.4132 14.4132 14.4382 14.4382 15.7738 15.7738 k = 0.2417-0.1395 0.1973 ( 1479 PWs) bands (ev): -31.0866 -31.0866 -15.9694 -15.9694 -15.0069 -15.0069 -12.2997 -12.2997 -12.0076 -12.0076 -11.6039 -11.6039 2.2247 2.2247 2.2487 2.2487 2.6865 2.6865 3.0433 3.0433 4.1492 4.1492 4.1919 4.1919 13.4810 13.4810 14.4657 14.4657 14.5189 14.5189 15.7258 15.7258 k = 0.2500-0.1443 0.2041 ( 1475 PWs) bands (ev): -31.0846 -31.0846 -15.9806 -15.9806 -15.0172 -15.0172 -12.3020 -12.3020 -12.0119 -12.0119 -11.5838 -11.5838 2.2413 2.2413 2.2648 2.2648 2.6151 2.6151 3.1060 3.1060 4.1462 4.1462 4.1889 4.1889 13.4633 13.4633 14.4935 14.4935 14.6310 14.6310 15.6768 15.6768 k = 0.2583-0.1491 0.2109 ( 1479 PWs) bands (ev): -31.0825 -31.0825 -15.9917 -15.9917 -15.0274 -15.0274 -12.3045 -12.3045 -12.0162 -12.0162 -11.5637 -11.5637 2.2582 2.2582 2.2812 2.2812 2.5444 2.5444 3.1691 3.1691 4.1429 4.1429 4.1854 4.1854 13.4421 13.4421 14.5215 14.5215 14.7485 14.7485 15.6271 15.6271 k = 0.2667-0.1540 0.2177 ( 1487 PWs) bands (ev): -31.0805 -31.0805 -16.0027 -16.0027 -15.0376 -15.0376 -12.3072 -12.3072 -12.0206 -12.0206 -11.5436 -11.5436 2.2753 2.2753 2.2978 2.2978 2.4747 2.4747 3.2327 3.2327 4.1392 4.1392 4.1815 4.1815 13.4185 13.4185 14.5496 14.5496 14.8707 14.8707 15.5766 15.5766 k = 0.2750-0.1588 0.2245 ( 1487 PWs) bands (ev): -31.0784 -31.0784 -16.0135 -16.0135 -15.0477 -15.0477 -12.3098 -12.3098 -12.0249 -12.0249 -11.5235 -11.5235 2.2927 2.2927 2.3148 2.3148 2.4061 2.4061 3.2965 3.2965 4.1350 4.1350 4.1773 4.1773 13.3929 13.3929 14.5779 14.5779 14.9972 14.9972 15.5256 15.5256 k = 0.2833-0.1636 0.2313 ( 1487 PWs) bands (ev): -31.0764 -31.0764 -16.0242 -16.0242 -15.0577 -15.0577 -12.3126 -12.3126 -12.0291 -12.0291 -11.5035 -11.5035 2.3104 2.3104 2.3315 2.3315 2.3392 2.3392 3.3604 3.3604 4.1305 4.1305 4.1726 4.1726 13.3659 13.3659 14.6061 14.6061 15.1275 15.1275 15.4743 15.4743 k = 0.2917-0.1684 0.2381 ( 1487 PWs) bands (ev): -31.0744 -31.0744 -16.0347 -16.0347 -15.0676 -15.0676 -12.3153 -12.3153 -12.0333 -12.0333 -11.4837 -11.4837 2.2727 2.2727 2.3282 2.3282 2.3495 2.3495 3.4242 3.4242 4.1255 4.1255 4.1676 4.1676 13.3378 13.3378 14.6343 14.6343 15.2613 15.2613 15.4228 15.4228 k = 0.3000-0.1732 0.2449 ( 1479 PWs) bands (ev): -31.0725 -31.0725 -16.0449 -16.0449 -15.0772 -15.0772 -12.3181 -12.3181 -12.0375 -12.0375 -11.4640 -11.4640 2.2083 2.2083 2.3461 2.3461 2.3670 2.3670 3.4878 3.4878 4.1202 4.1202 4.1621 4.1621 13.3090 13.3090 14.6624 14.6624 15.3711 15.3711 15.3984 15.3984 k = 0.3083-0.1780 0.2518 ( 1475 PWs) bands (ev): -31.0705 -31.0705 -16.0549 -16.0549 -15.0867 -15.0867 -12.3209 -12.3209 -12.0415 -12.0415 -11.4446 -11.4446 2.1455 2.1455 2.3642 2.3642 2.3846 2.3846 3.5508 3.5508 4.1145 4.1145 4.1564 4.1564 13.2796 13.2796 14.6902 14.6902 15.3196 15.3196 15.5385 15.5385 k = 0.3167-0.1828 0.2586 ( 1475 PWs) bands (ev): -31.0686 -31.0686 -16.0646 -16.0646 -15.0960 -15.0960 -12.3237 -12.3237 -12.0455 -12.0455 -11.4257 -11.4257 2.0845 2.0845 2.3822 2.3822 2.4023 2.4023 3.6132 3.6132 4.1085 4.1085 4.1503 4.1503 13.2500 13.2500 14.7176 14.7176 15.2682 15.2682 15.6816 15.6816 k = 0.3250-0.1876 0.2654 ( 1475 PWs) bands (ev): -31.0668 -31.0668 -16.0740 -16.0740 -15.1051 -15.1051 -12.3265 -12.3265 -12.0494 -12.0494 -11.4072 -11.4072 2.0253 2.0253 2.4002 2.4002 2.4199 2.4199 3.6748 3.6748 4.1022 4.1022 4.1439 4.1439 13.2205 13.2205 14.7447 14.7447 15.2173 15.2173 15.8274 15.8274 k = 0.3333-0.1925 0.2722 ( 1479 PWs) bands (ev): -31.0650 -31.0650 -16.0831 -16.0831 -15.1138 -15.1138 -12.3293 -12.3293 -12.0532 -12.0532 -11.3892 -11.3892 1.9682 1.9682 2.4181 2.4181 2.4374 2.4374 3.7353 3.7353 4.0956 4.0956 4.1371 4.1371 13.1911 13.1911 14.7713 14.7713 15.1669 15.1669 15.9757 15.9757 k = 0.3417-0.1973 0.2790 ( 1479 PWs) bands (ev): -31.0632 -31.0632 -16.0919 -16.0919 -15.1224 -15.1224 -12.3320 -12.3320 -12.0568 -12.0568 -11.3716 -11.3716 1.9131 1.9131 2.4358 2.4358 2.4548 2.4548 3.7946 3.7946 4.0887 4.0887 4.1302 4.1302 13.1621 13.1621 14.7972 14.7972 15.1173 15.1173 16.0838 16.0839 k = 0.3500-0.2021 0.2858 ( 1471 PWs) bands (ev): -31.0615 -31.0615 -16.1003 -16.1003 -15.1306 -15.1306 -12.3346 -12.3346 -12.0603 -12.0603 -11.3546 -11.3546 1.8603 1.8603 2.4534 2.4534 2.4720 2.4720 3.8524 3.8524 4.0817 4.0817 4.1231 4.1231 13.1337 13.1337 14.8227 14.8227 15.0687 15.0687 16.0755 16.0757 k = 0.3583-0.2069 0.2926 ( 1471 PWs) bands (ev): -31.0599 -31.0599 -16.1083 -16.1083 -15.1384 -15.1384 -12.3372 -12.3372 -12.0637 -12.0637 -11.3382 -11.3382 1.8098 1.8098 2.4706 2.4706 2.4889 2.4889 3.9087 3.9087 4.0745 4.0745 4.1159 4.1159 13.1059 13.1059 14.8471 14.8471 15.0213 15.0213 16.0671 16.0671 k = 0.3667-0.2117 0.2994 ( 1479 PWs) bands (ev): -31.0583 -31.0583 -16.1161 -16.1161 -15.1460 -15.1460 -12.3397 -12.3397 -12.0670 -12.0670 -11.3226 -11.3226 1.7616 1.7616 2.4874 2.4874 2.5055 2.5055 3.9630 3.9630 4.0672 4.0672 4.1086 4.1086 13.0790 13.0790 14.8705 14.8705 14.9754 14.9754 16.0590 16.0590 k = 0.3750-0.2165 0.3062 ( 1479 PWs) bands (ev): -31.0568 -31.0568 -16.1234 -16.1234 -15.1531 -15.1531 -12.3421 -12.3421 -12.0701 -12.0701 -11.3076 -11.3076 1.7160 1.7160 2.5038 2.5038 2.5216 2.5216 4.0153 4.0153 4.0599 4.0599 4.1013 4.1013 13.0531 13.0531 14.8920 14.8920 14.9320 14.9320 16.0514 16.0514 k = 0.3833-0.2213 0.3130 ( 1487 PWs) bands (ev): -31.0554 -31.0554 -16.1303 -16.1303 -15.1600 -15.1600 -12.3445 -12.3445 -12.0731 -12.0731 -11.2934 -11.2934 1.6729 1.6729 2.5197 2.5197 2.5372 2.5372 4.0525 4.0525 4.0648 4.0648 4.0944 4.0944 13.0283 13.0283 14.8844 14.8844 14.9184 14.9184 16.0442 16.0443 k = 0.3917-0.2261 0.3198 ( 1488 PWs) bands (ev): -31.0541 -31.0541 -16.1367 -16.1367 -15.1664 -15.1664 -12.3466 -12.3466 -12.0759 -12.0759 -11.2800 -11.2800 1.6325 1.6325 2.5349 2.5349 2.5523 2.5523 4.0453 4.0453 4.0856 4.0856 4.1141 4.1141 13.0047 13.0047 14.8450 14.8450 14.9374 14.9374 16.0376 16.0376 k = 0.4000-0.2309 0.3266 ( 1480 PWs) bands (ev): -31.0528 -31.0528 -16.1428 -16.1428 -15.1724 -15.1724 -12.3487 -12.3487 -12.0785 -12.0785 -11.2673 -11.2673 1.5948 1.5948 2.5495 2.5495 2.5667 2.5667 4.0383 4.0383 4.0790 4.0790 4.1587 4.1587 12.9825 12.9825 14.8065 14.8065 14.9567 14.9567 16.0317 16.0317 k = 0.4083-0.2358 0.3334 ( 1480 PWs) bands (ev): -31.0516 -31.0516 -16.1483 -16.1483 -15.1779 -15.1779 -12.3506 -12.3506 -12.0809 -12.0809 -11.2555 -11.2555 1.5599 1.5599 2.5634 2.5634 2.5803 2.5803 4.0314 4.0314 4.0722 4.0722 4.2008 4.2008 12.9617 12.9617 14.7701 14.7701 14.9748 14.9748 16.0261 16.0261 k = 0.4167-0.2406 0.3402 ( 1480 PWs) bands (ev): -31.0506 -31.0506 -16.1535 -16.1535 -15.1830 -15.1830 -12.3524 -12.3524 -12.0832 -12.0832 -11.2447 -11.2447 1.5278 1.5278 2.5763 2.5763 2.5931 2.5931 4.0248 4.0248 4.0657 4.0657 4.2400 4.2400 12.9424 12.9424 14.7360 14.7360 14.9917 14.9917 16.0209 16.0209 k = 0.4250-0.2454 0.3470 ( 1488 PWs) bands (ev): -31.0496 -31.0496 -16.1582 -16.1582 -15.1877 -15.1877 -12.3541 -12.3541 -12.0853 -12.0853 -11.2348 -11.2348 1.4986 1.4986 2.5884 2.5884 2.6050 2.6050 4.0185 4.0185 4.0594 4.0594 4.2761 4.2761 12.9246 12.9246 14.7045 14.7045 15.0071 15.0071 16.0163 16.0163 k = 0.4333-0.2502 0.3538 ( 1484 PWs) bands (ev): -31.0487 -31.0487 -16.1624 -16.1624 -15.1919 -15.1919 -12.3556 -12.3556 -12.0871 -12.0871 -11.2257 -11.2257 1.4724 1.4724 2.5994 2.5994 2.6159 2.6159 4.0127 4.0127 4.0536 4.0536 4.3089 4.3089 12.9087 12.9087 14.6759 14.6759 15.0211 15.0211 16.0122 16.0122 k = 0.4417-0.2550 0.3606 ( 1484 PWs) bands (ev): -31.0479 -31.0479 -16.1661 -16.1661 -15.1957 -15.1957 -12.3569 -12.3569 -12.0887 -12.0887 -11.2178 -11.2178 1.4491 1.4491 2.6093 2.6093 2.6257 2.6257 4.0074 4.0074 4.0483 4.0483 4.3382 4.3382 12.8944 12.8944 14.6503 14.6503 15.0337 15.0337 16.0085 16.0085 k = 0.4500-0.2598 0.3674 ( 1496 PWs) bands (ev): -31.0472 -31.0472 -16.1694 -16.1694 -15.1989 -15.1989 -12.3581 -12.3581 -12.0902 -12.0902 -11.2109 -11.2109 1.4288 1.4288 2.6181 2.6181 2.6344 2.6344 4.0025 4.0025 4.0434 4.0434 4.3639 4.3639 12.8819 12.8819 14.6277 14.6277 15.0446 15.0446 16.0052 16.0052 k = 0.4583-0.2646 0.3742 ( 1496 PWs) bands (ev): -31.0466 -31.0466 -16.1721 -16.1721 -15.2017 -15.2017 -12.3591 -12.3591 -12.0915 -12.0915 -11.2050 -11.2050 1.4116 1.4116 2.6256 2.6256 2.6418 2.6418 3.9984 3.9984 4.0393 4.0393 4.3858 4.3858 12.8713 12.8713 14.6084 14.6084 15.0540 15.0540 16.0025 16.0025 k = 0.4667-0.2694 0.3810 ( 1496 PWs) bands (ev): -31.0462 -31.0462 -16.1744 -16.1744 -15.2040 -15.2040 -12.3599 -12.3599 -12.0925 -12.0925 -11.2001 -11.2001 1.3975 1.3975 2.6319 2.6319 2.6480 2.6480 3.9949 3.9949 4.0358 4.0358 4.4039 4.4039 12.8625 12.8625 14.5925 14.5925 15.0618 15.0618 16.0003 16.0003 k = 0.4750-0.2742 0.3878 ( 1496 PWs) bands (ev): -31.0458 -31.0458 -16.1761 -16.1761 -15.2058 -15.2058 -12.3606 -12.3606 -12.0932 -12.0932 -11.1963 -11.1963 1.3865 1.3865 2.6368 2.6368 2.6529 2.6529 3.9921 3.9921 4.0331 4.0331 4.4181 4.4181 12.8556 12.8556 14.5800 14.5800 15.0678 15.0678 15.9986 15.9986 k = 0.4833-0.2791 0.3946 ( 1500 PWs) bands (ev): -31.0455 -31.0455 -16.1774 -16.1774 -15.2070 -15.2070 -12.3610 -12.3610 -12.0938 -12.0938 -11.1937 -11.1937 1.3785 1.3785 2.6404 2.6404 2.6564 2.6564 3.9902 3.9902 4.0311 4.0311 4.4283 4.4283 12.8506 12.8506 14.5710 14.5710 15.0722 15.0722 15.9974 15.9974 k = 0.4917-0.2839 0.4014 ( 1500 PWs) bands (ev): -31.0454 -31.0454 -16.1782 -16.1782 -15.2078 -15.2078 -12.3613 -12.3613 -12.0941 -12.0941 -11.1920 -11.1920 1.3738 1.3738 2.6425 2.6425 2.6585 2.6585 3.9889 3.9889 4.0299 4.0299 4.4344 4.4344 12.8477 12.8477 14.5656 14.5656 15.0748 15.0748 15.9967 15.9967 k = 0.5000-0.2887 0.4082 ( 1524 PWs) bands (ev): -31.0453 -31.0453 -16.1785 -16.1785 -15.2081 -15.2081 -12.3615 -12.3615 -12.0944 -12.0944 -11.1916 -11.1916 1.3722 1.3722 2.6431 2.6431 2.6592 2.6592 3.9885 3.9885 4.0295 4.0295 4.4363 4.4363 12.8466 12.8466 14.5637 14.5637 15.0753 15.0753 15.9962 15.9962 k = 0.5000-0.2887 0.4082 ( 1524 PWs) bands (ev): -31.0453 -31.0453 -16.1785 -16.1785 -15.2081 -15.2081 -12.3615 -12.3615 -12.0944 -12.0944 -11.1916 -11.1916 1.3722 1.3722 2.6431 2.6431 2.6592 2.6592 3.9885 3.9885 4.0295 4.0295 4.4363 4.4363 12.8466 12.8466 14.5637 14.5637 15.0753 15.0753 15.9962 15.9962 k = 0.5000-0.2791 0.4151 ( 1500 PWs) bands (ev): -31.0453 -31.0453 -16.1779 -16.1779 -15.2090 -15.2090 -12.3609 -12.3609 -12.0938 -12.0938 -11.1920 -11.1920 1.3731 1.3731 2.6431 2.6431 2.6593 2.6593 3.9881 3.9881 4.0291 4.0291 4.4362 4.4362 12.8475 12.8475 14.5643 14.5643 15.0748 15.0748 15.9951 15.9951 k = 0.5000-0.2694 0.4219 ( 1500 PWs) bands (ev): -31.0453 -31.0453 -16.1764 -16.1764 -15.2117 -15.2117 -12.3596 -12.3596 -12.0924 -12.0924 -11.1935 -11.1935 1.3755 1.3755 2.6423 2.6423 2.6598 2.6598 3.9867 3.9867 4.0279 4.0279 4.4356 4.4356 12.8499 12.8499 14.5657 14.5657 15.0723 15.0723 15.9899 15.9899 k = 0.5000-0.2598 0.4287 ( 1500 PWs) bands (ev): -31.0453 -31.0453 -16.1738 -16.1738 -15.2162 -15.2162 -12.3574 -12.3574 -12.0901 -12.0901 -11.1961 -11.1961 1.3796 1.3796 2.6396 2.6396 2.6620 2.6620 3.9840 3.9840 4.0264 4.0264 4.4344 4.4344 12.8540 12.8540 14.5680 14.5680 15.0682 15.0682 15.9792 15.9792 k = 0.5000-0.2502 0.4355 ( 1490 PWs) bands (ev): -31.0453 -31.0453 -16.1701 -16.1701 -15.2224 -15.2224 -12.3543 -12.3543 -12.0868 -12.0868 -11.1996 -11.1996 1.3852 1.3852 2.6344 2.6344 2.6666 2.6666 3.9795 3.9795 4.0250 4.0250 4.4329 4.4329 12.8596 12.8596 14.5714 14.5714 15.0625 15.0625 15.9632 15.9632 k = 0.5000-0.2406 0.4423 ( 1490 PWs) bands (ev): -31.0453 -31.0453 -16.1654 -16.1654 -15.2304 -15.2304 -12.3506 -12.3506 -12.0825 -12.0825 -11.2042 -11.2042 1.3925 1.3925 2.6269 2.6269 2.6732 2.6732 3.9728 3.9728 4.0241 4.0241 4.4309 4.4309 12.8667 12.8667 14.5756 14.5756 15.0551 15.0551 15.9425 15.9425 k = 0.5000-0.2309 0.4491 ( 1486 PWs) bands (ev): -31.0453 -31.0453 -16.1598 -16.1598 -15.2401 -15.2401 -12.3463 -12.3463 -12.0772 -12.0772 -11.2098 -11.2098 1.4014 1.4014 2.6174 2.6174 2.6818 2.6818 3.9636 3.9636 4.0241 4.0241 4.4285 4.4285 12.8753 12.8753 14.5808 14.5808 15.0461 15.0461 15.9177 15.9177 k = 0.5000-0.2213 0.4559 ( 1486 PWs) bands (ev): -31.0453 -31.0453 -16.1531 -16.1531 -15.2514 -15.2514 -12.3415 -12.3415 -12.0707 -12.0707 -11.2164 -11.2164 1.4118 1.4118 2.6060 2.6060 2.6921 2.6921 3.9519 3.9519 4.0249 4.0249 4.4257 4.4257 12.8854 12.8854 14.5868 14.5868 15.0357 15.0357 15.8894 15.8894 k = 0.5000-0.2117 0.4627 ( 1482 PWs) bands (ev): -31.0453 -31.0453 -16.1453 -16.1453 -15.2642 -15.2642 -12.3364 -12.3364 -12.0630 -12.0630 -11.2240 -11.2240 1.4237 1.4237 2.5928 2.5928 2.7040 2.7040 3.9379 3.9379 4.0266 4.0266 4.4225 4.4225 12.8969 12.8969 14.5939 14.5939 15.0238 15.0238 15.8580 15.8580 k = 0.5000-0.2021 0.4695 ( 1482 PWs) bands (ev): -31.0453 -31.0453 -16.1366 -16.1366 -15.2784 -15.2784 -12.3311 -12.3311 -12.0542 -12.0542 -11.2325 -11.2325 1.4371 1.4371 2.5779 2.5779 2.7176 2.7176 3.9217 3.9217 4.0288 4.0288 4.4189 4.4189 12.9096 12.9096 14.6019 14.6019 15.0105 15.0105 15.8239 15.8239 k = 0.5000-0.1925 0.4763 ( 1486 PWs) bands (ev): -31.0453 -31.0453 -16.1270 -16.1270 -15.2941 -15.2941 -12.3257 -12.3257 -12.0440 -12.0440 -11.2420 -11.2420 1.4520 1.4520 2.5614 2.5614 2.7327 2.7327 3.9035 3.9035 4.0317 4.0317 4.4150 4.4150 12.9236 12.9236 14.6109 14.6109 14.9958 14.9958 15.7877 15.7877 k = 0.5000-0.1828 0.4831 ( 1486 PWs) bands (ev): -31.0453 -31.0453 -16.1163 -16.1163 -15.3110 -15.3110 -12.3203 -12.3203 -12.0326 -12.0326 -11.2525 -11.2525 1.4683 1.4683 2.5434 2.5434 2.7493 2.7493 3.8833 3.8833 4.0350 4.0350 4.4108 4.4108 12.9387 12.9387 14.6209 14.6209 14.9800 14.9800 15.7497 15.7497 k = 0.5000-0.1732 0.4899 ( 1494 PWs) bands (ev): -31.0453 -31.0453 -16.1047 -16.1047 -15.3292 -15.3292 -12.3152 -12.3152 -12.0199 -12.0199 -11.2639 -11.2639 1.4860 1.4860 2.5238 2.5238 2.7674 2.7674 3.8614 3.8614 4.0386 4.0386 4.4062 4.4062 12.9547 12.9547 14.6317 14.6317 14.9632 14.9632 15.7102 15.7102 k = 0.5000-0.1636 0.4967 ( 1494 PWs) bands (ev): -31.0453 -31.0453 -16.0922 -16.0922 -15.3484 -15.3484 -12.3102 -12.3102 -12.0058 -12.0058 -11.2761 -11.2761 1.5050 1.5050 2.5029 2.5029 2.7869 2.7869 3.8378 3.8378 4.0427 4.0427 4.4014 4.4014 12.9717 12.9717 14.6436 14.6436 14.9453 14.9453 15.6697 15.6697 k = 0.5000-0.1540 0.5035 ( 1492 PWs) bands (ev): -31.0453 -31.0453 -16.0787 -16.0787 -15.3687 -15.3687 -12.3055 -12.3055 -11.9904 -11.9904 -11.2893 -11.2893 1.5254 1.5254 2.4806 2.4806 2.8079 2.8079 3.8127 3.8127 4.0470 4.0470 4.3964 4.3964 12.9893 12.9893 14.6566 14.6566 14.9267 14.9267 15.6285 15.6285 k = 0.5000-0.1443 0.5103 ( 1490 PWs) bands (ev): -31.0453 -31.0453 -16.0643 -16.0643 -15.3899 -15.3899 -12.3011 -12.3011 -11.9739 -11.9739 -11.3032 -11.3032 1.5469 1.5469 2.4571 2.4571 2.8302 2.8302 3.7862 3.7862 4.0516 4.0516 4.3912 4.3912 13.0076 13.0076 14.6706 14.6706 14.9075 14.9075 15.5868 15.5868 k = 0.5000-0.1347 0.5171 ( 1490 PWs) bands (ev): -31.0453 -31.0453 -16.0490 -16.0490 -15.4119 -15.4119 -12.2971 -12.2971 -11.9563 -11.9563 -11.3179 -11.3179 1.5696 1.5696 2.4324 2.4324 2.8537 2.8537 3.7583 3.7583 4.0563 4.0563 4.3858 4.3858 13.0263 13.0263 14.6857 14.6857 14.8877 14.8877 15.5449 15.5449 k = 0.5000-0.1251 0.5239 ( 1486 PWs) bands (ev): -31.0453 -31.0453 -16.0329 -16.0329 -15.4347 -15.4347 -12.2935 -12.2935 -11.9377 -11.9377 -11.3334 -11.3334 1.5934 1.5934 2.4067 2.4067 2.8786 2.8786 3.7292 3.7292 4.0612 4.0612 4.3804 4.3804 13.0452 13.0452 14.7018 14.7018 14.8678 14.8678 15.5031 15.5031 k = 0.5000-0.1155 0.5307 ( 1488 PWs) bands (ev): -31.0453 -31.0453 -16.0160 -16.0160 -15.4581 -15.4581 -12.2903 -12.2903 -11.9182 -11.9182 -11.3496 -11.3496 1.6182 1.6182 2.3799 2.3799 2.9046 2.9046 3.6990 3.6990 4.0662 4.0662 4.3748 4.3748 13.0641 13.0641 14.7188 14.7188 14.8478 14.8478 15.4612 15.4612 k = 0.5000-0.1058 0.5375 ( 1488 PWs) bands (ev): -31.0453 -31.0453 -15.9982 -15.9982 -15.4820 -15.4820 -12.2874 -12.2874 -11.8979 -11.8979 -11.3665 -11.3665 1.6440 1.6440 2.3523 2.3523 2.9318 2.9318 3.6677 3.6677 4.0712 4.0712 4.3693 4.3693 13.0828 13.0828 14.7369 14.7369 14.8281 14.8281 15.4197 15.4197 k = 0.5000-0.0962 0.5443 ( 1488 PWs) bands (ev): -31.0453 -31.0453 -15.9797 -15.9797 -15.5064 -15.5064 -12.2849 -12.2849 -11.8771 -11.8771 -11.3839 -11.3839 1.6706 1.6706 2.3240 2.3240 2.9601 2.9601 3.6355 3.6355 4.0762 4.0762 4.3638 4.3638 13.1011 13.1011 14.7558 14.7558 14.8091 14.8091 15.3787 15.3787 k = 0.5000-0.0866 0.5511 ( 1488 PWs) bands (ev): -31.0453 -31.0453 -15.9604 -15.9604 -15.5311 -15.5311 -12.2827 -12.2827 -11.8558 -11.8558 -11.4018 -11.4018 1.6979 1.6979 2.2950 2.2950 2.9894 2.9894 3.6026 3.6026 4.0810 4.0810 4.3585 4.3585 13.1188 13.1188 14.7734 14.7734 14.7933 14.7933 15.3383 15.3383 k = 0.5000-0.0770 0.5579 ( 1488 PWs) bands (ev): -31.0452 -31.0452 -15.9404 -15.9404 -15.5562 -15.5562 -12.2808 -12.2808 -11.8344 -11.8344 -11.4200 -11.4200 1.7258 1.7258 2.2656 2.2656 3.0197 3.0197 3.5689 3.5689 4.0857 4.0857 4.3534 4.3534 13.1355 13.1355 14.7690 14.7690 14.8015 14.8015 15.2985 15.2985 k = 0.5000-0.0674 0.5647 ( 1492 PWs) bands (ev): -31.0452 -31.0452 -15.9197 -15.9197 -15.5814 -15.5814 -12.2792 -12.2792 -11.8129 -11.8129 -11.4385 -11.4385 1.7541 1.7541 2.2359 2.2359 3.0507 3.0507 3.5347 3.5347 4.0902 4.0902 4.3486 4.3486 13.1510 13.1510 14.7535 14.7535 14.8230 14.8230 15.2595 15.2595 k = 0.5000-0.0577 0.5715 ( 1492 PWs) bands (ev): -31.0452 -31.0452 -15.8984 -15.8984 -15.6068 -15.6068 -12.2779 -12.2779 -11.7918 -11.7918 -11.4569 -11.4569 1.7826 1.7826 2.2062 2.2062 3.0827 3.0827 3.5000 3.5000 4.0942 4.0942 4.3442 4.3442 13.1652 13.1652 14.7387 14.7387 14.8466 14.8466 15.2214 15.2214 k = 0.5000-0.0481 0.5784 ( 1484 PWs) bands (ev): -31.0452 -31.0452 -15.8764 -15.8764 -15.6321 -15.6321 -12.2767 -12.2767 -11.7713 -11.7713 -11.4749 -11.4749 1.8110 1.8110 2.1767 2.1767 3.1154 3.1154 3.4649 3.4649 4.0979 4.0979 4.3403 4.3403 13.1777 13.1777 14.7256 14.7256 14.8716 14.8716 15.1844 15.1844 k = 0.5000-0.0385 0.5852 ( 1484 PWs) bands (ev): -31.0452 -31.0452 -15.8540 -15.8540 -15.6575 -15.6575 -12.2758 -12.2758 -11.7520 -11.7520 -11.4921 -11.4921 1.8387 1.8387 2.1481 2.1481 3.1488 3.1488 3.4296 3.4296 4.1011 4.1011 4.3369 4.3369 13.1883 13.1883 14.7144 14.7144 14.8977 14.8977 15.1482 15.1482 k = 0.5000-0.0289 0.5920 ( 1476 PWs) bands (ev): -31.0452 -31.0452 -15.8311 -15.8311 -15.6826 -15.6826 -12.2750 -12.2750 -11.7347 -11.7347 -11.5078 -11.5078 1.8649 1.8649 2.1212 2.1212 3.1828 3.1828 3.3941 3.3941 4.1036 4.1036 4.3342 4.3342 13.1968 13.1968 14.7056 14.7056 14.9251 14.9251 15.1131 15.1131 k = 0.5000-0.0192 0.5988 ( 1480 PWs) bands (ev): -31.0452 -31.0452 -15.8079 -15.8079 -15.7075 -15.7075 -12.2746 -12.2746 -11.7205 -11.7205 -11.5208 -11.5208 1.8878 1.8878 2.0977 2.0977 3.2172 3.2172 3.3586 3.3586 4.1055 4.1055 4.3322 4.3322 13.2029 13.2029 14.6990 14.6990 14.9535 14.9535 15.0790 15.0790 k = 0.5000-0.0096 0.6056 ( 1480 PWs) bands (ev): -31.0452 -31.0452 -15.7850 -15.7850 -15.7313 -15.7313 -12.2743 -12.2743 -11.7110 -11.7110 -11.5296 -11.5296 1.9046 1.9046 2.0806 2.0806 3.2519 3.2519 3.3232 3.3232 4.1067 4.1067 4.3309 4.3309 13.2067 13.2067 14.6950 14.6950 14.9830 14.9830 15.0460 15.0460 k = 0.5000 0.0000 0.6124 ( 1480 PWs) bands (ev): -31.0452 -31.0452 -15.7692 -15.7692 -15.7475 -15.7475 -12.2742 -12.2742 -11.7076 -11.7076 -11.5328 -11.5328 1.9111 1.9111 2.0741 2.0741 3.2825 3.2825 3.2923 3.2923 4.1070 4.1070 4.3305 4.3305 13.2080 13.2080 14.6936 14.6936 15.0112 15.0112 15.0167 15.0167 k = 0.5000 0.0000 0.6124 ( 1480 PWs) bands (ev): -31.0452 -31.0452 -15.7692 -15.7692 -15.7475 -15.7475 -12.2742 -12.2742 -11.7076 -11.7076 -11.5328 -11.5328 1.9111 1.9111 2.0741 2.0741 3.2825 3.2825 3.2923 3.2923 4.1070 4.1070 4.3305 4.3305 13.2080 13.2080 14.6936 14.6936 15.0112 15.0112 15.0167 15.0167 k = 0.4943 0.0098 0.6124 ( 1480 PWs) bands (ev): -31.0452 -31.0452 -15.7781 -15.7781 -15.7384 -15.7384 -12.2742 -12.2742 -11.7093 -11.7093 -11.5314 -11.5314 1.9084 1.9084 2.0774 2.0774 3.2628 3.2628 3.3119 3.3119 4.1068 4.1068 4.3302 4.3302 13.2076 13.2076 14.6939 14.6939 14.9928 14.9928 15.0362 15.0362 k = 0.4886 0.0197 0.6124 ( 1480 PWs) bands (ev): -31.0453 -31.0453 -15.7925 -15.7925 -15.7232 -15.7232 -12.2741 -12.2741 -11.7140 -11.7140 -11.5274 -11.5274 1.9009 1.9009 2.0869 2.0869 3.2387 3.2387 3.3353 3.3353 4.1059 4.1059 4.3293 4.3293 13.2065 13.2065 14.6949 14.6949 14.9728 14.9728 15.0593 15.0593 k = 0.4830 0.0295 0.6124 ( 1474 PWs) bands (ev): -31.0453 -31.0453 -15.8072 -15.8072 -15.7073 -15.7073 -12.2738 -12.2738 -11.7214 -11.7214 -11.5212 -11.5212 1.8897 1.8897 2.1015 2.1015 3.2144 3.2144 3.3585 3.3585 4.1043 4.1043 4.3280 4.3280 13.2047 13.2047 14.6965 14.6965 14.9537 14.9537 15.0836 15.0836 k = 0.4773 0.0394 0.6124 ( 1476 PWs) bands (ev): -31.0454 -31.0454 -15.8216 -15.8216 -15.6913 -15.6913 -12.2735 -12.2735 -11.7309 -11.7309 -11.5134 -11.5134 1.8761 1.8761 2.1198 2.1198 3.1898 3.1898 3.3815 3.3815 4.1019 4.1019 4.3264 4.3264 13.2022 13.2022 14.6987 14.6987 14.9354 14.9354 15.1087 15.1087 k = 0.4716 0.0492 0.6124 ( 1480 PWs) bands (ev): -31.0455 -31.0455 -15.8354 -15.8354 -15.6755 -15.6755 -12.2732 -12.2732 -11.7419 -11.7419 -11.5046 -11.5046 1.8611 1.8611 2.1407 2.1407 3.1650 3.1650 3.4042 3.4042 4.0986 4.0986 4.3248 4.3248 13.1989 13.1989 14.7015 14.7015 14.9181 14.9181 15.1344 15.1344 k = 0.4659 0.0590 0.6124 ( 1482 PWs) bands (ev): -31.0456 -31.0456 -15.8486 -15.8486 -15.6600 -15.6600 -12.2727 -12.2727 -11.7539 -11.7539 -11.4951 -11.4951 1.8456 1.8456 2.1637 2.1637 3.1401 3.1401 3.4266 3.4266 4.0942 4.0942 4.3231 4.3231 13.1951 13.1951 14.7049 14.7049 14.9019 14.9019 15.1607 15.1607 k = 0.4602 0.0689 0.6124 ( 1487 PWs) bands (ev): -31.0457 -31.0457 -15.8612 -15.8612 -15.6450 -15.6450 -12.2721 -12.2721 -11.7665 -11.7665 -11.4853 -11.4853 1.8298 1.8298 2.1882 2.1882 3.1149 3.1149 3.4487 3.4487 4.0887 4.0887 4.3217 4.3217 13.1906 13.1906 14.7087 14.7087 14.8866 14.8866 15.1871 15.1871 k = 0.4545 0.0787 0.6124 ( 1486 PWs) bands (ev): -31.0458 -31.0458 -15.8730 -15.8730 -15.6305 -15.6305 -12.2714 -12.2714 -11.7795 -11.7795 -11.4754 -11.4754 1.8143 1.8143 2.2138 2.2138 3.0897 3.0897 3.4705 3.4705 4.0821 4.0821 4.3204 4.3204 13.1857 13.1857 14.7130 14.7130 14.8725 14.8725 15.2138 15.2138 k = 0.4489 0.0886 0.6124 ( 1488 PWs) bands (ev): -31.0459 -31.0459 -15.8841 -15.8841 -15.6166 -15.6166 -12.2705 -12.2705 -11.7924 -11.7924 -11.4658 -11.4658 1.7992 1.7992 2.2402 2.2402 3.0643 3.0643 3.4918 3.4918 4.0744 4.0744 4.3195 4.3195 13.1803 13.1803 14.7177 14.7177 14.8594 14.8594 15.2402 15.2402 k = 0.4432 0.0984 0.6124 ( 1488 PWs) bands (ev): -31.0460 -31.0460 -15.8945 -15.8945 -15.6033 -15.6033 -12.2696 -12.2696 -11.8052 -11.8052 -11.4564 -11.4564 1.7847 1.7847 2.2672 2.2672 3.0387 3.0387 3.5128 3.5128 4.0657 4.0657 4.3189 4.3189 13.1747 13.1747 14.7226 14.7226 14.8473 14.8473 15.2663 15.2663 k = 0.4375 0.1083 0.6124 ( 1486 PWs) bands (ev): -31.0462 -31.0462 -15.9041 -15.9041 -15.5908 -15.5908 -12.2686 -12.2686 -11.8177 -11.8177 -11.4475 -11.4475 1.7711 1.7711 2.2946 2.2946 3.0131 3.0131 3.5333 3.5333 4.0560 4.0560 4.3185 4.3185 13.1690 13.1690 14.7276 14.7276 14.8363 14.8363 15.2916 15.2916 k = 0.4318 0.1181 0.6124 ( 1488 PWs) bands (ev): -31.0463 -31.0463 -15.9129 -15.9129 -15.5791 -15.5791 -12.2676 -12.2676 -11.8297 -11.8297 -11.4391 -11.4391 1.7583 1.7583 2.3223 2.3223 2.9875 2.9875 3.5533 3.5533 4.0455 4.0455 4.3185 4.3185 13.1632 13.1632 14.7327 14.7327 14.8263 14.8263 15.3160 15.3160 k = 0.4261 0.1279 0.6124 ( 1489 PWs) bands (ev): -31.0464 -31.0464 -15.9209 -15.9209 -15.5683 -15.5683 -12.2665 -12.2665 -11.8410 -11.8410 -11.4314 -11.4314 1.7465 1.7465 2.3499 2.3499 2.9620 2.9620 3.5726 3.5726 4.0345 4.0345 4.3186 4.3186 13.1576 13.1576 14.7377 14.7377 14.8173 14.8173 15.3391 15.3391 k = 0.4205 0.1378 0.6124 ( 1488 PWs) bands (ev): -31.0465 -31.0465 -15.9281 -15.9281 -15.5584 -15.5584 -12.2654 -12.2654 -11.8515 -11.8515 -11.4243 -11.4243 1.7357 1.7357 2.3773 2.3773 2.9367 2.9367 3.5912 3.5912 4.0230 4.0230 4.3190 4.3190 13.1521 13.1521 14.7425 14.7425 14.8094 14.8094 15.3608 15.3608 k = 0.4148 0.1476 0.6124 ( 1488 PWs) bands (ev): -31.0466 -31.0466 -15.9345 -15.9345 -15.5496 -15.5496 -12.2644 -12.2644 -11.8611 -11.8611 -11.4179 -11.4179 1.7261 1.7261 2.4042 2.4042 2.9119 2.9119 3.6088 3.6088 4.0114 4.0114 4.3195 4.3195 13.1470 13.1470 14.7471 14.7471 14.8025 14.8025 15.3807 15.3807 k = 0.4091 0.1575 0.6124 ( 1484 PWs) bands (ev): -31.0467 -31.0467 -15.9401 -15.9401 -15.5418 -15.5418 -12.2633 -12.2633 -11.8697 -11.8697 -11.4123 -11.4123 1.7177 1.7177 2.4302 2.4302 2.8878 2.8878 3.6252 3.6252 4.0000 4.0000 4.3200 4.3200 13.1423 13.1423 14.7512 14.7512 14.7966 14.7966 15.3987 15.3987 k = 0.4034 0.1673 0.6124 ( 1488 PWs) bands (ev): -31.0467 -31.0467 -15.9448 -15.9448 -15.5351 -15.5351 -12.2624 -12.2624 -11.8772 -11.8772 -11.4076 -11.4076 1.7104 1.7104 2.4549 2.4549 2.8648 2.8648 3.6402 3.6402 3.9891 3.9891 4.3206 4.3206 13.1382 13.1382 14.7548 14.7548 14.7915 14.7915 15.4144 15.4144 k = 0.3977 0.1771 0.6124 ( 1485 PWs) bands (ev): -31.0468 -31.0468 -15.9487 -15.9487 -15.5296 -15.5296 -12.2616 -12.2616 -11.8834 -11.8834 -11.4036 -11.4036 1.7045 1.7045 2.4777 2.4777 2.8435 2.8435 3.6534 3.6534 3.9792 3.9792 4.3211 4.3211 13.1347 13.1347 14.7578 14.7578 14.7876 14.7876 15.4276 15.4276 k = 0.3920 0.1870 0.6124 ( 1487 PWs) bands (ev): -31.0469 -31.0469 -15.9517 -15.9517 -15.5253 -15.5253 -12.2609 -12.2609 -11.8884 -11.8884 -11.4005 -11.4005 1.6998 1.6998 2.4975 2.4975 2.8248 2.8248 3.6644 3.6644 3.9706 3.9706 4.3216 4.3216 13.1318 13.1318 14.7600 14.7600 14.7846 14.7846 15.4381 15.4381 k = 0.3864 0.1968 0.6124 ( 1483 PWs) bands (ev): -31.0469 -31.0469 -15.9538 -15.9538 -15.5221 -15.5221 -12.2604 -12.2604 -11.8919 -11.8919 -11.3982 -11.3982 1.6966 1.6966 2.5134 2.5134 2.8099 2.8099 3.6727 3.6727 3.9641 3.9641 4.3219 4.3219 13.1298 13.1298 14.7616 14.7616 14.7826 14.7826 15.4457 15.4457 k = 0.3807 0.2067 0.6124 ( 1483 PWs) bands (ev): -31.0469 -31.0469 -15.9551 -15.9551 -15.5202 -15.5202 -12.2601 -12.2601 -11.8941 -11.8941 -11.3969 -11.3969 1.6945 1.6945 2.5237 2.5237 2.8000 2.8000 3.6779 3.6779 3.9599 3.9599 4.3221 4.3221 13.1286 13.1286 14.7625 14.7625 14.7815 14.7815 15.4504 15.4504 k = 0.3750 0.2165 0.6124 ( 1480 PWs) bands (ev): -31.0469 -31.0469 -15.9556 -15.9556 -15.5196 -15.5196 -12.2599 -12.2599 -11.8948 -11.8948 -11.3964 -11.3964 1.6939 1.6939 2.5273 2.5273 2.7966 2.7966 3.6797 3.6797 3.9585 3.9585 4.3222 4.3222 13.1282 13.1282 14.7629 14.7629 14.7812 14.7812 15.4519 15.4519 k = 0.3750 0.2165 0.6124 ( 1480 PWs) bands (ev): -31.0469 -31.0469 -15.9556 -15.9556 -15.5196 -15.5196 -12.2599 -12.2599 -11.8948 -11.8948 -11.3964 -11.3964 1.6939 1.6939 2.5273 2.5273 2.7966 2.7966 3.6797 3.6797 3.9585 3.9585 4.3222 4.3222 13.1282 13.1282 14.7629 14.7629 14.7812 14.7812 15.4519 15.4519 k = 0.3691 0.2131 0.6028 ( 1486 PWs) bands (ev): -31.0472 -31.0472 -15.9354 -15.9354 -15.5417 -15.5417 -12.2555 -12.2555 -11.8794 -11.8794 -11.4134 -11.4134 1.7199 1.7199 2.5214 2.5214 2.8107 2.8107 3.6507 3.6507 3.9500 3.9500 4.3119 4.3119 13.1487 13.1487 14.7430 14.7430 14.7965 14.7965 15.4295 15.4295 k = 0.3633 0.2097 0.5932 ( 1486 PWs) bands (ev): -31.0476 -31.0476 -15.9145 -15.9145 -15.5637 -15.5637 -12.2512 -12.2512 -11.8643 -11.8643 -11.4306 -11.4306 1.7463 1.7463 2.5164 2.5164 2.8255 2.8255 3.6208 3.6208 3.9403 3.9403 4.3017 4.3017 13.1693 13.1693 14.7197 14.7197 14.8156 14.8156 15.4091 15.4091 k = 0.3574 0.2064 0.5837 ( 1486 PWs) bands (ev): -31.0480 -31.0480 -15.8929 -15.8929 -15.5854 -15.5854 -12.2471 -12.2471 -11.8494 -11.8494 -11.4479 -11.4479 1.7728 1.7728 2.5122 2.5122 2.8409 2.8409 3.5901 3.5901 3.9291 3.9291 4.2917 4.2917 13.1900 13.1900 14.6960 14.6960 14.8353 14.8353 15.3910 15.3910 k = 0.3516 0.2030 0.5741 ( 1492 PWs) bands (ev): -31.0484 -31.0484 -15.8708 -15.8708 -15.6069 -15.6069 -12.2433 -12.2433 -11.8352 -11.8352 -11.4653 -11.4653 1.7992 1.7992 2.5090 2.5090 2.8570 2.8570 3.5585 3.5585 3.9163 3.9163 4.2820 4.2820 13.2107 13.2107 14.6720 14.6720 14.8553 14.8553 15.3750 15.3750 k = 0.3457 0.1996 0.5645 ( 1488 PWs) bands (ev): -31.0489 -31.0489 -15.8480 -15.8480 -15.6279 -15.6279 -12.2396 -12.2396 -11.8216 -11.8216 -11.4826 -11.4826 1.8256 1.8256 2.5070 2.5070 2.8738 2.8738 3.5262 3.5262 3.9018 3.9018 4.2727 4.2727 13.2316 13.2316 14.6480 14.6480 14.8754 14.8754 15.3614 15.3614 k = 0.3398 0.1962 0.5550 ( 1484 PWs) bands (ev): -31.0495 -31.0495 -15.8247 -15.8247 -15.6485 -15.6485 -12.2362 -12.2362 -11.8087 -11.8087 -11.4998 -11.4998 1.8516 1.8516 2.5063 2.5063 2.8913 2.8913 3.4932 3.4932 3.8856 3.8856 4.2640 4.2640 13.2525 13.2525 14.6242 14.6242 14.8954 14.8954 15.3501 15.3501 k = 0.3340 0.1928 0.5454 ( 1484 PWs) bands (ev): -31.0501 -31.0501 -15.8009 -15.8009 -15.6686 -15.6686 -12.2329 -12.2329 -11.7969 -11.7969 -11.5166 -11.5166 1.8772 1.8772 2.5071 2.5071 2.9095 2.9095 3.4595 3.4595 3.8673 3.8673 4.2560 4.2560 13.2734 13.2734 14.6004 14.6004 14.9151 14.9151 15.3410 15.3410 k = 0.3281 0.1894 0.5358 ( 1484 PWs) bands (ev): -31.0507 -31.0507 -15.7769 -15.7769 -15.6879 -15.6879 -12.2298 -12.2298 -11.7862 -11.7862 -11.5330 -11.5330 1.9021 1.9021 2.5094 2.5094 2.9283 2.9283 3.4252 3.4252 3.8470 3.8470 4.2486 4.2486 13.2943 13.2943 14.5768 14.5768 14.9343 14.9343 15.3342 15.3342 k = 0.3223 0.1861 0.5263 ( 1490 PWs) bands (ev): -31.0514 -31.0514 -15.7532 -15.7532 -15.7058 -15.7058 -12.2269 -12.2269 -11.7771 -11.7771 -11.5486 -11.5486 1.9262 1.9262 2.5135 2.5135 2.9477 2.9477 3.3904 3.3904 3.8246 3.8246 4.2421 4.2421 13.3153 13.3153 14.5533 14.5533 14.9526 14.9526 15.3297 15.3297 k = 0.3164 0.1827 0.5167 ( 1494 PWs) bands (ev): -31.0522 -31.0522 -15.7363 -15.7363 -15.7158 -15.7158 -12.2243 -12.2243 -11.7695 -11.7695 -11.5633 -11.5633 1.9493 1.9493 2.5194 2.5194 2.9679 2.9679 3.3551 3.3551 3.8002 3.8002 4.2362 4.2362 13.3363 13.3363 14.5302 14.5302 14.9701 14.9701 15.3274 15.3274 k = 0.3105 0.1793 0.5071 ( 1494 PWs) bands (ev): -31.0530 -31.0530 -15.7466 -15.7466 -15.6976 -15.6976 -12.2218 -12.2218 -11.7640 -11.7640 -11.5766 -11.5766 1.9713 1.9713 2.5274 2.5274 2.9886 2.9886 3.3194 3.3194 3.7738 3.7738 4.2312 4.2312 13.3574 13.3574 14.5074 14.5074 14.9865 14.9865 15.3274 15.3274 k = 0.3047 0.1759 0.4976 ( 1490 PWs) bands (ev): -31.0538 -31.0538 -15.7625 -15.7625 -15.6726 -15.6726 -12.2196 -12.2196 -11.7606 -11.7606 -11.5883 -11.5883 1.9920 1.9920 2.5374 2.5374 3.0100 3.0100 3.2833 3.2833 3.7454 3.7454 4.2268 4.2268 13.3786 13.3786 14.4850 14.4850 15.0014 15.0014 15.3297 15.3297 k = 0.2988 0.1725 0.4880 ( 1490 PWs) bands (ev): -31.0548 -31.0548 -15.7782 -15.7782 -15.6467 -15.6467 -12.2176 -12.2176 -11.7598 -11.7598 -11.5982 -11.5982 2.0114 2.0114 2.5496 2.5496 3.0321 3.0321 3.2468 3.2468 3.7151 3.7151 4.2231 4.2231 13.3999 13.3999 14.4630 14.4630 15.0147 15.0147 15.3341 15.3341 k = 0.2930 0.1691 0.4784 ( 1490 PWs) bands (ev): -31.0558 -31.0558 -15.7934 -15.7934 -15.6203 -15.6203 -12.2158 -12.2158 -11.7617 -11.7617 -11.6060 -11.6060 2.0293 2.0293 2.5640 2.5640 3.0547 3.0547 3.2101 3.2101 3.6831 3.6831 4.2201 4.2201 13.4212 13.4212 14.4413 14.4413 15.0261 15.0261 15.3405 15.3405 k = 0.2871 0.1658 0.4688 ( 1494 PWs) bands (ev): -31.0568 -31.0568 -15.8078 -15.8078 -15.5937 -15.5937 -12.2143 -12.2143 -11.7662 -11.7662 -11.6119 -11.6119 2.0456 2.0456 2.5807 2.5807 3.0780 3.0780 3.1731 3.1731 3.6493 3.6493 4.2175 4.2175 13.4425 13.4425 14.4202 14.4202 15.0352 15.0352 15.3490 15.3490 k = 0.2812 0.1624 0.4593 ( 1490 PWs) bands (ev): -31.0579 -31.0579 -15.8213 -15.8213 -15.5668 -15.5668 -12.2131 -12.2131 -11.7729 -11.7729 -11.6159 -11.6159 2.0605 2.0605 2.5996 2.5996 3.1018 3.1018 3.1360 3.1360 3.6140 3.6140 4.2154 4.2154 13.4638 13.4638 14.3995 14.3995 15.0418 15.0418 15.3595 15.3595 k = 0.2754 0.1590 0.4497 ( 1490 PWs) bands (ev): -31.0591 -31.0591 -15.8339 -15.8339 -15.5399 -15.5399 -12.2121 -12.2121 -11.7814 -11.7814 -11.6187 -11.6187 2.0738 2.0738 2.6206 2.6206 3.0988 3.0988 3.1262 3.1262 3.5771 3.5771 4.2137 4.2137 13.4851 13.4851 14.3793 14.3793 15.0455 15.0455 15.3718 15.3718 k = 0.2695 0.1556 0.4401 ( 1482 PWs) bands (ev): -31.0603 -31.0603 -15.8456 -15.8456 -15.5128 -15.5128 -12.2114 -12.2114 -11.7913 -11.7913 -11.6206 -11.6206 2.0857 2.0857 2.6437 2.6437 3.0616 3.0616 3.1512 3.1512 3.5389 3.5389 4.2124 4.2124 13.5064 13.5064 14.3597 14.3597 15.0460 15.0460 15.3860 15.3860 k = 0.2637 0.1522 0.4306 ( 1482 PWs) bands (ev): -31.0616 -31.0616 -15.8564 -15.8564 -15.4858 -15.4858 -12.2110 -12.2110 -11.8020 -11.8020 -11.6221 -11.6221 2.0962 2.0962 2.6687 2.6687 3.0244 3.0244 3.1767 3.1767 3.4994 3.4994 4.2113 4.2113 13.5275 13.5275 14.3406 14.3406 15.0430 15.0430 15.4019 15.4019 k = 0.2578 0.1488 0.4210 ( 1478 PWs) bands (ev): -31.0630 -31.0630 -15.8663 -15.8663 -15.4588 -15.4588 -12.2109 -12.2109 -11.8132 -11.8132 -11.6234 -11.6234 2.1054 2.1054 2.6955 2.6955 2.9872 2.9872 3.2027 3.2027 3.4587 3.4587 4.2105 4.2105 13.5483 13.5483 14.3221 14.3221 15.0361 15.0361 15.4194 15.4194 k = 0.2520 0.1455 0.4114 ( 1478 PWs) bands (ev): -31.0644 -31.0644 -15.8752 -15.8752 -15.4319 -15.4319 -12.2112 -12.2112 -11.8245 -11.8245 -11.6250 -11.6250 2.1134 2.1134 2.7241 2.7241 2.9501 2.9501 3.2291 3.2291 3.4170 3.4170 4.2099 4.2099 13.5688 13.5688 14.3041 14.3041 15.0249 15.0249 15.4385 15.4385 k = 0.2461 0.1421 0.4019 ( 1478 PWs) bands (ev): -31.0658 -31.0658 -15.8831 -15.8831 -15.4051 -15.4051 -12.2117 -12.2117 -11.8358 -11.8358 -11.6269 -11.6269 2.1202 2.1202 2.7541 2.7541 2.9132 2.9132 3.2561 3.2561 3.3743 3.3743 4.2094 4.2094 13.5889 13.5889 14.2867 14.2867 15.0093 15.0093 15.4591 15.4591 k = 0.2402 0.1387 0.3923 ( 1478 PWs) bands (ev): -31.0673 -31.0673 -15.8901 -15.8901 -15.3786 -15.3786 -12.2126 -12.2126 -11.8468 -11.8468 -11.6293 -11.6293 2.1260 2.1260 2.7856 2.7856 2.8766 2.8766 3.2834 3.2834 3.3308 3.3308 4.2089 4.2089 13.6083 13.6083 14.2699 14.2699 14.9889 14.9889 15.4811 15.4811 k = 0.2344 0.1353 0.3827 ( 1482 PWs) bands (ev): -31.0689 -31.0689 -15.8962 -15.8962 -15.3523 -15.3523 -12.2139 -12.2139 -11.8574 -11.8574 -11.6323 -11.6323 2.1307 2.1307 2.8173 2.8173 2.8413 2.8413 3.2866 3.2866 3.3111 3.3111 4.2085 4.2085 13.6269 13.6269 14.2537 14.2537 14.9634 14.9634 15.5042 15.5042 k = 0.2285 0.1319 0.3732 ( 1490 PWs) bands (ev): -31.0705 -31.0705 -15.9013 -15.9013 -15.3262 -15.3262 -12.2155 -12.2155 -11.8675 -11.8675 -11.6360 -11.6360 2.1346 2.1346 2.8028 2.8028 2.8537 2.8537 3.2417 3.2417 3.3392 3.3392 4.2082 4.2082 13.6444 13.6444 14.2380 14.2380 14.9328 14.9328 15.5287 15.5287 k = 0.2227 0.1286 0.3636 ( 1482 PWs) bands (ev): -31.0721 -31.0721 -15.9054 -15.9054 -15.3005 -15.3005 -12.2173 -12.2173 -11.8769 -11.8769 -11.6402 -11.6402 2.1376 2.1376 2.7673 2.7673 2.8887 2.8887 3.1963 3.1963 3.3676 3.3676 4.2079 4.2079 13.6609 13.6609 14.2229 14.2229 14.8972 14.8972 15.5544 15.5544 k = 0.2168 0.1252 0.3540 ( 1486 PWs) bands (ev): -31.0738 -31.0738 -15.9087 -15.9087 -15.2752 -15.2752 -12.2195 -12.2195 -11.8857 -11.8857 -11.6453 -11.6453 2.1397 2.1397 2.7319 2.7319 2.9251 2.9251 3.1505 3.1505 3.3963 3.3963 4.2075 4.2075 13.6756 13.6756 14.2084 14.2084 14.8566 14.8566 15.5811 15.5811 k = 0.2109 0.1218 0.3445 ( 1484 PWs) bands (ev): -31.0756 -31.0756 -15.9110 -15.9110 -15.2503 -15.2503 -12.2219 -12.2219 -11.8938 -11.8938 -11.6510 -11.6510 2.1411 2.1411 2.6968 2.6968 2.9624 2.9624 3.1044 3.1044 3.4253 3.4253 4.2072 4.2072 13.6886 13.6886 14.1946 14.1946 14.8115 14.8115 15.6089 15.6089 k = 0.2051 0.1184 0.3349 ( 1480 PWs) bands (ev): -31.0773 -31.0773 -15.9124 -15.9124 -15.2259 -15.2259 -12.2245 -12.2245 -11.9012 -11.9012 -11.6573 -11.6573 2.1416 2.1416 2.6622 2.6622 3.0000 3.0000 3.0588 3.0588 3.4545 3.4545 4.2068 4.2068 13.6993 13.6993 14.1813 14.1813 14.7622 14.7622 15.6376 15.6376 k = 0.1992 0.1150 0.3253 ( 1484 PWs) bands (ev): -31.0791 -31.0791 -15.9130 -15.9130 -15.2021 -15.2021 -12.2274 -12.2274 -11.9079 -11.9079 -11.6644 -11.6644 2.1414 2.1414 2.6281 2.6281 3.0086 3.0086 3.0430 3.0430 3.4838 3.4838 4.2062 4.2062 13.7072 13.7072 14.1686 14.1686 14.7094 14.7094 15.6670 15.6670 k = 0.1934 0.1116 0.3158 ( 1482 PWs) bands (ev): -31.0809 -31.0809 -15.9127 -15.9127 -15.1788 -15.1788 -12.2304 -12.2304 -11.9138 -11.9138 -11.6721 -11.6721 2.1406 2.1406 2.5946 2.5946 2.9637 2.9637 3.0814 3.0814 3.5133 3.5133 4.2057 4.2057 13.7119 13.7119 14.1565 14.1565 14.6541 14.6541 15.6972 15.6972 k = 0.1875 0.1083 0.3062 ( 1486 PWs) bands (ev): -31.0828 -31.0828 -15.9117 -15.9117 -15.1561 -15.1561 -12.2336 -12.2336 -11.9192 -11.9192 -11.6804 -11.6804 2.1390 2.1390 2.5616 2.5616 2.9174 2.9174 3.1221 3.1221 3.5428 3.5428 4.2050 4.2050 13.7127 13.7127 14.1449 14.1449 14.5972 14.5972 15.7280 15.7280 k = 0.1816 0.1049 0.2966 ( 1482 PWs) bands (ev): -31.0846 -31.0846 -15.9098 -15.9098 -15.1340 -15.1340 -12.2368 -12.2368 -11.9238 -11.9238 -11.6892 -11.6892 2.1368 2.1368 2.5292 2.5292 2.8711 2.8711 3.1636 3.1636 3.5723 3.5723 4.2043 4.2043 13.7088 13.7088 14.1339 14.1339 14.5400 14.5400 15.7596 15.7596 k = 0.1758 0.1015 0.2870 ( 1486 PWs) bands (ev): -31.0865 -31.0865 -15.9073 -15.9073 -15.1126 -15.1126 -12.2401 -12.2401 -11.9279 -11.9279 -11.6986 -11.6986 2.1340 2.1340 2.4976 2.4976 2.8251 2.8251 3.2057 3.2057 3.6017 3.6017 4.2035 4.2035 13.6994 13.6994 14.1233 14.1233 14.4837 14.4837 15.7915 15.7915 k = 0.1699 0.0981 0.2775 ( 1492 PWs) bands (ev): -31.0884 -31.0884 -15.9041 -15.9041 -15.0919 -15.0919 -12.2434 -12.2434 -11.9314 -11.9314 -11.7085 -11.7085 2.1305 2.1305 2.4666 2.4666 2.7794 2.7794 3.2484 3.2484 3.6311 3.6311 4.2025 4.2025 13.6837 13.6837 14.1133 14.1133 14.4297 14.4297 15.8237 15.8237 k = 0.1641 0.0947 0.2679 ( 1492 PWs) bands (ev): -31.0903 -31.0903 -15.9002 -15.9002 -15.0719 -15.0719 -12.2467 -12.2467 -11.9343 -11.9343 -11.7187 -11.7187 2.1265 2.1265 2.4363 2.4363 2.7341 2.7341 3.2915 3.2915 3.6603 3.6603 4.2015 4.2015 13.6610 13.6610 14.1039 14.1039 14.3794 14.3794 15.8563 15.8563 k = 0.1582 0.0913 0.2583 ( 1478 PWs) bands (ev): -31.0921 -31.0921 -15.8956 -15.8956 -15.0526 -15.0526 -12.2499 -12.2499 -11.9367 -11.9367 -11.7291 -11.7291 2.1220 2.1220 2.4070 2.4070 2.6894 2.6894 3.3351 3.3351 3.6894 3.6894 4.2004 4.2004 13.6306 13.6306 14.0952 14.0952 14.3337 14.3337 15.8893 15.8893 k = 0.1523 0.0880 0.2488 ( 1474 PWs) bands (ev): -31.0940 -31.0940 -15.8906 -15.8906 -15.0341 -15.0341 -12.2530 -12.2530 -11.9387 -11.9387 -11.7399 -11.7399 2.1170 2.1170 2.3783 2.3783 2.6454 2.6454 3.3789 3.3789 3.7181 3.7181 4.1992 4.1992 13.5923 13.5923 14.0868 14.0868 14.2933 14.2933 15.9223 15.9223 k = 0.1465 0.0846 0.2392 ( 1474 PWs) bands (ev): -31.0958 -31.0958 -15.8850 -15.8850 -15.0164 -15.0164 -12.2561 -12.2561 -11.9402 -11.9402 -11.7509 -11.7509 2.1116 2.1116 2.3505 2.3505 2.6021 2.6021 3.4229 3.4229 3.7465 3.7465 4.1979 4.1979 13.5466 13.5466 14.0789 14.0789 14.2584 14.2584 15.9553 15.9553 k = 0.1406 0.0812 0.2296 ( 1474 PWs) bands (ev): -31.0977 -31.0977 -15.8790 -15.8790 -14.9994 -14.9994 -12.2591 -12.2591 -11.9414 -11.9414 -11.7621 -11.7621 2.1057 2.1057 2.3235 2.3235 2.5596 2.5596 3.4668 3.4668 3.7746 3.7746 4.1966 4.1966 13.4941 13.4941 14.0714 14.0714 14.2287 14.2287 15.9883 15.9883 k = 0.1348 0.0778 0.2201 ( 1474 PWs) bands (ev): -31.0995 -31.0995 -15.8726 -15.8726 -14.9833 -14.9833 -12.2621 -12.2621 -11.9422 -11.9422 -11.7733 -11.7733 2.0995 2.0995 2.2974 2.2974 2.5181 2.5181 3.5108 3.5108 3.8021 3.8021 4.1951 4.1951 13.4360 13.4360 14.0644 14.0644 14.2035 14.2035 16.0211 16.0211 k = 0.1289 0.0744 0.2105 ( 1474 PWs) bands (ev): -31.1013 -31.1013 -15.8658 -15.8658 -14.9680 -14.9680 -12.2649 -12.2649 -11.9427 -11.9427 -11.7846 -11.7846 2.0930 2.0930 2.2723 2.2723 2.4776 2.4776 3.5544 3.5544 3.8292 3.8292 4.1937 4.1937 13.3735 13.3735 14.0579 14.0579 14.1821 14.1821 16.0537 16.0537 k = 0.1230 0.0710 0.2009 ( 1464 PWs) bands (ev): -31.1030 -31.1030 -15.8587 -15.8587 -14.9534 -14.9534 -12.2676 -12.2676 -11.9429 -11.9429 -11.7957 -11.7957 2.0863 2.0863 2.2482 2.2482 2.4382 2.4382 3.5978 3.5978 3.8556 3.8556 4.1922 4.1922 13.3078 13.3078 14.0519 14.0519 14.1637 14.1637 16.0861 16.0861 k = 0.1172 0.0677 0.1914 ( 1468 PWs) bands (ev): -31.1047 -31.1047 -15.8515 -15.8515 -14.9397 -14.9397 -12.2702 -12.2702 -11.9429 -11.9429 -11.8067 -11.8067 2.0793 2.0793 2.2250 2.2250 2.4000 2.4000 3.6406 3.6406 3.8814 3.8814 4.1907 4.1907 13.2401 13.2401 14.0461 14.0461 14.1475 14.1475 16.1178 16.1178 k = 0.1113 0.0643 0.1818 ( 1468 PWs) bands (ev): -31.1064 -31.1064 -15.8440 -15.8440 -14.9268 -14.9268 -12.2728 -12.2728 -11.9427 -11.9427 -11.8176 -11.8176 2.0721 2.0721 2.2028 2.2028 2.3631 2.3631 3.6828 3.6828 3.9065 3.9065 4.1892 4.1892 13.1713 13.1713 14.0408 14.0408 14.1331 14.1331 16.1491 16.1491 k = 0.1055 0.0609 0.1722 ( 1464 PWs) bands (ev): -31.1080 -31.1080 -15.8365 -15.8365 -14.9146 -14.9146 -12.2753 -12.2753 -11.9422 -11.9422 -11.8281 -11.8281 2.0648 2.0648 2.1817 2.1817 2.3277 2.3277 3.7242 3.7242 3.9308 3.9308 4.1877 4.1877 13.1024 13.1024 14.0359 14.0359 14.1200 14.1200 16.1797 16.1797 k = 0.0996 0.0575 0.1627 ( 1464 PWs) bands (ev): -31.1095 -31.1095 -15.8289 -15.8289 -14.9033 -14.9033 -12.2777 -12.2777 -11.9416 -11.9416 -11.8383 -11.8383 2.0574 2.0574 2.1616 2.1616 2.2936 2.2936 3.7646 3.7646 3.9542 3.9542 4.1863 4.1863 13.0340 13.0340 14.0313 14.0313 14.1079 14.1079 16.2095 16.2095 k = 0.0938 0.0541 0.1531 ( 1462 PWs) bands (ev): -31.1110 -31.1110 -15.8213 -15.8213 -14.8927 -14.8927 -12.2801 -12.2801 -11.9409 -11.9409 -11.8482 -11.8482 2.0500 2.0500 2.1426 2.1426 2.2611 2.2611 3.8038 3.8038 3.9768 3.9768 4.1849 4.1849 12.9668 12.9668 14.0271 14.0271 14.0965 14.0965 16.2384 16.2384 k = 0.0879 0.0507 0.1435 ( 1454 PWs) bands (ev): -31.1125 -31.1125 -15.8138 -15.8138 -14.8828 -14.8828 -12.2824 -12.2824 -11.9400 -11.9400 -11.8575 -11.8575 2.0426 2.0426 2.1248 2.1248 2.2304 2.2304 3.8417 3.8417 3.9984 3.9984 4.1836 4.1836 12.9014 12.9014 14.0234 14.0234 14.0858 14.0858 16.2665 16.2665 k = 0.0820 0.0474 0.1340 ( 1454 PWs) bands (ev): -31.1138 -31.1138 -15.8065 -15.8065 -14.8737 -14.8737 -12.2847 -12.2847 -11.9390 -11.9390 -11.8665 -11.8665 2.0352 2.0352 2.1082 2.1082 2.2013 2.2013 3.8780 3.8780 4.0191 4.0191 4.1824 4.1824 12.8382 12.8382 14.0198 14.0198 14.0756 14.0756 16.2933 16.2933 k = 0.0762 0.0440 0.1244 ( 1450 PWs) bands (ev): -31.1151 -31.1151 -15.7993 -15.7993 -14.8654 -14.8654 -12.2870 -12.2870 -11.9380 -11.9380 -11.8748 -11.8748 2.0278 2.0278 2.0927 2.0927 2.1740 2.1740 3.9126 3.9126 4.0387 4.0387 4.1813 4.1813 12.7776 12.7776 14.0166 14.0166 14.0660 14.0660 16.3189 16.3189 k = 0.0703 0.0406 0.1148 ( 1454 PWs) bands (ev): -31.1163 -31.1163 -15.7924 -15.7924 -14.8577 -14.8577 -12.2892 -12.2892 -11.9370 -11.9370 -11.8827 -11.8827 2.0205 2.0205 2.0785 2.0785 2.1485 2.1485 3.9451 3.9451 4.0572 4.0572 4.1805 4.1805 12.7201 12.7201 14.0136 14.0136 14.0567 14.0567 16.3431 16.3431 k = 0.0645 0.0372 0.1053 ( 1454 PWs) bands (ev): -31.1174 -31.1174 -15.7858 -15.7858 -14.8507 -14.8507 -12.2913 -12.2913 -11.9359 -11.9359 -11.8900 -11.8900 2.0132 2.0132 2.0656 2.0656 2.1250 2.1250 3.9754 3.9754 4.0747 4.0747 4.1798 4.1798 12.6660 12.6660 14.0109 14.0109 14.0480 14.0480 16.3659 16.3659 k = 0.0586 0.0338 0.0957 ( 1458 PWs) bands (ev): -31.1185 -31.1185 -15.7796 -15.7796 -14.8445 -14.8445 -12.2934 -12.2934 -11.9348 -11.9348 -11.8967 -11.8967 2.0059 2.0059 2.0540 2.0540 2.1034 2.1034 4.0032 4.0032 4.0912 4.0912 4.1795 4.1795 12.6155 12.6155 14.0085 14.0085 14.0399 14.0399 16.3871 16.3871 k = 0.0527 0.0304 0.0861 ( 1460 PWs) bands (ev): -31.1194 -31.1194 -15.7738 -15.7738 -14.8388 -14.8388 -12.2954 -12.2954 -11.9338 -11.9338 -11.9028 -11.9028 1.9987 1.9987 2.0438 2.0438 2.0839 2.0839 4.0282 4.0282 4.1066 4.1066 4.1794 4.1794 12.5690 12.5690 14.0064 14.0064 14.0323 14.0323 16.4067 16.4067 k = 0.0469 0.0271 0.0765 ( 1460 PWs) bands (ev): -31.1203 -31.1203 -15.7685 -15.7685 -14.8339 -14.8339 -12.2973 -12.2973 -11.9328 -11.9328 -11.9082 -11.9082 1.9916 1.9916 2.0349 2.0349 2.0667 2.0667 4.0501 4.0501 4.1211 4.1211 4.1796 4.1796 12.5268 12.5268 14.0045 14.0045 14.0254 14.0254 16.4245 16.4245 k = 0.0410 0.0237 0.0670 ( 1460 PWs) bands (ev): -31.1211 -31.1211 -15.7637 -15.7637 -14.8295 -14.8295 -12.2990 -12.2990 -11.9319 -11.9319 -11.9130 -11.9130 1.9848 1.9848 2.0273 2.0273 2.0516 2.0516 4.0687 4.0687 4.1347 4.1347 4.1803 4.1803 12.4889 12.4889 14.0029 14.0029 14.0191 14.0191 16.4405 16.4405 k = 0.0352 0.0203 0.0574 ( 1460 PWs) bands (ev): -31.1217 -31.1217 -15.7594 -15.7594 -14.8257 -14.8257 -12.3006 -12.3006 -11.9310 -11.9310 -11.9171 -11.9171 1.9783 1.9783 2.0210 2.0210 2.0387 2.0387 4.0839 4.0839 4.1473 4.1473 4.1812 4.1812 12.4557 12.4557 14.0015 14.0015 14.0136 14.0136 16.4545 16.4545 k = 0.0293 0.0169 0.0478 ( 1459 PWs) bands (ev): -31.1223 -31.1223 -15.7557 -15.7557 -14.8226 -14.8226 -12.3020 -12.3020 -11.9303 -11.9303 -11.9206 -11.9206 1.9724 1.9724 2.0157 2.0157 2.0279 2.0279 4.0958 4.0958 4.1587 4.1587 4.1825 4.1825 12.4273 12.4273 14.0004 14.0004 14.0089 14.0089 16.4665 16.4665 k = 0.0234 0.0135 0.0383 ( 1459 PWs) bands (ev): -31.1228 -31.1228 -15.7527 -15.7527 -14.8200 -14.8200 -12.3031 -12.3031 -11.9296 -11.9296 -11.9234 -11.9234 1.9671 1.9671 2.0116 2.0116 2.0193 2.0193 4.1047 4.1047 4.1686 4.1686 4.1840 4.1840 12.4038 12.4038 13.9994 13.9994 14.0049 14.0049 16.4764 16.4764 k = 0.0176 0.0101 0.0287 ( 1459 PWs) bands (ev): -31.1232 -31.1232 -15.7503 -15.7503 -14.8180 -14.8180 -12.3041 -12.3041 -11.9291 -11.9291 -11.9256 -11.9256 1.9628 1.9628 2.0084 2.0084 2.0127 2.0127 4.1111 4.1111 4.1767 4.1767 4.1854 4.1854 12.3855 12.3855 13.9987 13.9987 14.0018 14.0018 16.4841 16.4841 k = 0.0117 0.0068 0.0191 ( 1459 PWs) bands (ev): -31.1234 -31.1234 -15.7486 -15.7486 -14.8166 -14.8166 -12.3047 -12.3047 -11.9288 -11.9288 -11.9272 -11.9272 1.9596 1.9596 2.0062 2.0062 2.0081 2.0081 4.1153 4.1153 4.1828 4.1828 4.1866 4.1866 12.3723 12.3723 13.9982 13.9982 13.9996 13.9996 16.4896 16.4896 k = 0.0059 0.0034 0.0096 ( 1459 PWs) bands (ev): -31.1236 -31.1236 -15.7475 -15.7475 -14.8158 -14.8158 -12.3052 -12.3052 -11.9286 -11.9286 -11.9282 -11.9282 1.9576 1.9576 2.0049 2.0049 2.0054 2.0054 4.1176 4.1176 4.1865 4.1865 4.1874 4.1874 12.3643 12.3643 13.9979 13.9979 13.9982 13.9982 16.4924 16.4924 k = 0.0000 0.0000 0.0000 ( 1459 PWs) bands (ev): -31.1236 -31.1236 -15.7472 -15.7472 -14.8155 -14.8155 -12.3053 -12.3053 -11.9285 -11.9285 -11.9285 -11.9285 1.9569 1.9569 2.0045 2.0045 2.0045 2.0045 4.1184 4.1184 4.1877 4.1877 4.1877 4.1877 12.3617 12.3617 13.9978 13.9978 13.9978 13.9978 16.4931 16.4931 k = 0.0000 0.0000 0.0000 ( 1459 PWs) bands (ev): -31.1236 -31.1236 -15.7472 -15.7472 -14.8155 -14.8155 -12.3053 -12.3053 -11.9285 -11.9285 -11.9285 -11.9285 1.9569 1.9569 2.0045 2.0045 2.0045 2.0045 4.1184 4.1184 4.1877 4.1877 4.1877 4.1877 12.3617 12.3617 13.9978 13.9978 13.9978 13.9978 16.4931 16.4931 k = 0.0096 0.0056 0.0039 ( 1459 PWs) bands (ev): -31.1236 -31.1236 -15.7475 -15.7475 -14.8158 -14.8158 -12.3052 -12.3052 -11.9285 -11.9285 -11.9282 -11.9282 1.9576 1.9576 2.0050 2.0050 2.0053 2.0053 4.1176 4.1176 4.1867 4.1867 4.1872 4.1872 12.3644 12.3644 13.9980 13.9980 13.9981 13.9981 16.4924 16.4924 k = 0.0192 0.0111 0.0079 ( 1459 PWs) bands (ev): -31.1234 -31.1234 -15.7486 -15.7486 -14.8166 -14.8166 -12.3047 -12.3047 -11.9287 -11.9287 -11.9273 -11.9273 1.9596 1.9596 2.0065 2.0065 2.0079 2.0079 4.1153 4.1153 4.1836 4.1836 4.1857 4.1857 12.3724 12.3724 13.9989 13.9989 13.9989 13.9989 16.4893 16.4893 k = 0.0288 0.0167 0.0118 ( 1459 PWs) bands (ev): -31.1232 -31.1232 -15.7503 -15.7503 -14.8181 -14.8181 -12.3041 -12.3041 -11.9290 -11.9290 -11.9257 -11.9257 1.9630 1.9630 2.0091 2.0091 2.0121 2.0121 4.1114 4.1114 4.1785 4.1785 4.1832 4.1832 12.3857 12.3857 14.0002 14.0002 14.0003 14.0003 16.4835 16.4835 k = 0.0385 0.0222 0.0157 ( 1459 PWs) bands (ev): -31.1228 -31.1228 -15.7527 -15.7527 -14.8201 -14.8201 -12.3031 -12.3031 -11.9294 -11.9294 -11.9236 -11.9236 1.9675 1.9675 2.0127 2.0127 2.0182 2.0182 4.1057 4.1057 4.1716 4.1716 4.1796 4.1796 12.4042 12.4042 14.0022 14.0022 14.0023 14.0023 16.4754 16.4754 k = 0.0481 0.0278 0.0196 ( 1459 PWs) bands (ev): -31.1223 -31.1223 -15.7558 -15.7558 -14.8227 -14.8227 -12.3019 -12.3019 -11.9300 -11.9300 -11.9208 -11.9208 1.9732 1.9732 2.0172 2.0172 2.0260 2.0260 4.0982 4.0982 4.1631 4.1631 4.1751 4.1751 12.4279 12.4279 14.0046 14.0046 14.0048 14.0048 16.4651 16.4651 k = 0.0577 0.0333 0.0236 ( 1459 PWs) bands (ev): -31.1217 -31.1217 -15.7595 -15.7595 -14.8259 -14.8259 -12.3005 -12.3005 -11.9306 -11.9306 -11.9174 -11.9174 1.9799 1.9799 2.0228 2.0228 2.0358 2.0358 4.0886 4.0886 4.1534 4.1534 4.1697 4.1697 12.4565 12.4565 14.0076 14.0076 14.0078 14.0078 16.4526 16.4526 k = 0.0673 0.0389 0.0275 ( 1462 PWs) bands (ev): -31.1211 -31.1211 -15.7637 -15.7637 -14.8297 -14.8297 -12.2989 -12.2989 -11.9314 -11.9314 -11.9133 -11.9133 1.9876 1.9876 2.0294 2.0294 2.0474 2.0474 4.0766 4.0766 4.1427 4.1427 4.1632 4.1632 12.4900 12.4900 14.0110 14.0110 14.0114 14.0114 16.4382 16.4382 k = 0.0769 0.0444 0.0314 ( 1462 PWs) bands (ev): -31.1203 -31.1203 -15.7685 -15.7685 -14.8342 -14.8342 -12.2971 -12.2971 -11.9323 -11.9323 -11.9086 -11.9086 1.9962 1.9962 2.0369 2.0369 2.0610 2.0610 4.0623 4.0623 4.1313 4.1313 4.1559 4.1559 12.5281 12.5281 14.0150 14.0150 14.0154 14.0154 16.4219 16.4219 k = 0.0865 0.0500 0.0353 ( 1459 PWs) bands (ev): -31.1194 -31.1194 -15.7738 -15.7738 -14.8393 -14.8393 -12.2952 -12.2952 -11.9333 -11.9333 -11.9031 -11.9031 2.0056 2.0056 2.0454 2.0454 2.0765 2.0765 4.0454 4.0454 4.1196 4.1196 4.1476 4.1476 12.5706 12.5706 14.0194 14.0194 14.0200 14.0200 16.4042 16.4042 k = 0.0962 0.0555 0.0393 ( 1459 PWs) bands (ev): -31.1185 -31.1185 -15.7796 -15.7796 -14.8452 -14.8452 -12.2932 -12.2932 -11.9344 -11.9344 -11.8969 -11.8969 2.0158 2.0158 2.0548 2.0548 2.0937 2.0937 4.0260 4.0260 4.1074 4.1074 4.1384 4.1384 12.6174 12.6174 14.0243 14.0243 14.0250 14.0250 16.3848 16.3848 k = 0.1058 0.0611 0.0432 ( 1459 PWs) bands (ev): -31.1174 -31.1174 -15.7857 -15.7857 -14.8516 -14.8516 -12.2911 -12.2911 -11.9356 -11.9356 -11.8900 -11.8900 2.0269 2.0269 2.0650 2.0650 2.1127 2.1127 4.0042 4.0042 4.0950 4.0950 4.1284 4.1284 12.6680 12.6680 14.0296 14.0296 14.0304 14.0304 16.3641 16.3641 k = 0.1154 0.0666 0.0471 ( 1456 PWs) bands (ev): -31.1163 -31.1163 -15.7922 -15.7922 -14.8588 -14.8588 -12.2890 -12.2890 -11.9369 -11.9369 -11.8824 -11.8824 2.0386 2.0386 2.0762 2.0762 2.1334 2.1334 3.9804 3.9804 4.0822 4.0822 4.1176 4.1176 12.7224 12.7224 14.0354 14.0354 14.0364 14.0364 16.3424 16.3424 k = 0.1250 0.0722 0.0510 ( 1456 PWs) bands (ev): -31.1151 -31.1151 -15.7990 -15.7990 -14.8667 -14.8667 -12.2869 -12.2869 -11.9382 -11.9382 -11.8740 -11.8740 2.0511 2.0511 2.0883 2.0883 2.1556 2.1556 3.9547 3.9547 4.0691 4.0691 4.1060 4.1060 12.7802 12.7802 14.0415 14.0415 14.0426 14.0426 16.3199 16.3199 k = 0.1346 0.0777 0.0550 ( 1459 PWs) bands (ev): -31.1138 -31.1138 -15.8060 -15.8060 -14.8753 -14.8753 -12.2848 -12.2848 -11.9397 -11.9397 -11.8649 -11.8649 2.0644 2.0644 2.1011 2.1011 2.1793 2.1793 3.9273 3.9273 4.0555 4.0555 4.0936 4.0936 12.8410 12.8410 14.0480 14.0480 14.0492 14.0492 16.2966 16.2966 k = 0.1442 0.0833 0.0589 ( 1453 PWs) bands (ev): -31.1124 -31.1124 -15.8132 -15.8132 -14.8846 -14.8846 -12.2827 -12.2827 -11.9412 -11.9412 -11.8550 -11.8550 2.0784 2.0784 2.1147 2.1147 2.2044 2.2044 3.8985 3.8985 4.0414 4.0414 4.0806 4.0806 12.9046 12.9046 14.0549 14.0549 14.0563 14.0563 16.2731 16.2731 k = 0.1538 0.0888 0.0628 ( 1459 PWs) bands (ev): -31.1110 -31.1110 -15.8205 -15.8205 -14.8947 -14.8947 -12.2807 -12.2807 -11.9428 -11.9428 -11.8444 -11.8444 2.0930 2.0930 2.1291 2.1291 2.2307 2.2307 3.8685 3.8685 4.0268 4.0268 4.0668 4.0668 12.9707 12.9707 14.0619 14.0619 14.0635 14.0635 16.2494 16.2494 k = 0.1635 0.0944 0.0667 ( 1453 PWs) bands (ev): -31.1095 -31.1095 -15.8279 -15.8279 -14.9054 -14.9054 -12.2788 -12.2788 -11.9445 -11.9445 -11.8331 -11.8331 2.1083 2.1083 2.1442 2.1442 2.2581 2.2581 3.8375 3.8375 4.0117 4.0117 4.0525 4.0525 13.0388 13.0388 14.0694 14.0694 14.0711 14.0711 16.2259 16.2259 k = 0.1731 0.0999 0.0707 ( 1471 PWs) bands (ev): -31.1080 -31.1080 -15.8353 -15.8353 -14.9169 -14.9169 -12.2772 -12.2772 -11.9463 -11.9463 -11.8212 -11.8212 2.1242 2.1242 2.1599 2.1599 2.2865 2.2865 3.8056 3.8056 3.9962 3.9962 4.0375 4.0375 13.1086 13.1086 14.0768 14.0768 14.0787 14.0787 16.2026 16.2026 k = 0.1827 0.1055 0.0746 ( 1471 PWs) bands (ev): -31.1064 -31.1064 -15.8427 -15.8427 -14.9290 -14.9290 -12.2756 -12.2756 -11.9481 -11.9481 -11.8085 -11.8085 2.1407 2.1407 2.1763 2.1763 2.3158 2.3158 3.7731 3.7731 3.9802 3.9802 4.0220 4.0220 13.1799 13.1799 14.0846 14.0846 14.0866 14.0866 16.1800 16.1800 k = 0.1923 0.1110 0.0785 ( 1465 PWs) bands (ev): -31.1047 -31.1047 -15.8499 -15.8499 -14.9417 -14.9417 -12.2741 -12.2741 -11.9499 -11.9499 -11.7951 -11.7951 2.1578 2.1578 2.1933 2.1933 2.3459 2.3459 3.7402 3.7402 3.9638 3.9638 4.0060 4.0060 13.2521 13.2521 14.0926 14.0926 14.0949 14.0949 16.1584 16.1584 k = 0.2019 0.1166 0.0824 ( 1471 PWs) bands (ev): -31.1030 -31.1030 -15.8571 -15.8571 -14.9551 -14.9551 -12.2729 -12.2729 -11.9518 -11.9518 -11.7812 -11.7812 2.1754 2.1754 2.2108 2.2108 2.3766 2.3766 3.7069 3.7069 3.9469 3.9469 3.9896 3.9896 13.3250 13.3250 14.1006 14.1006 14.1030 14.1030 16.1378 16.1378 k = 0.2115 0.1221 0.0864 ( 1471 PWs) bands (ev): -31.1013 -31.1013 -15.8641 -15.8641 -14.9690 -14.9690 -12.2717 -12.2717 -11.9538 -11.9538 -11.7668 -11.7668 2.1935 2.1935 2.2289 2.2289 2.4079 2.4079 3.6734 3.6734 3.9298 3.9298 3.9727 3.9727 13.3982 13.3982 14.1088 14.1088 14.1114 14.1114 16.1183 16.1183 k = 0.2212 0.1277 0.0903 ( 1474 PWs) bands (ev): -31.0996 -31.0996 -15.8709 -15.8709 -14.9835 -14.9835 -12.2708 -12.2708 -11.9557 -11.9557 -11.7518 -11.7518 2.2120 2.2120 2.2474 2.2474 2.4396 2.4396 3.6398 3.6398 3.9122 3.9122 3.9555 3.9555 13.4714 13.4714 14.1171 14.1171 14.1198 14.1198 16.1002 16.1002 k = 0.2308 0.1332 0.0942 ( 1474 PWs) bands (ev): -31.0978 -31.0978 -15.8774 -15.8774 -14.9985 -14.9985 -12.2700 -12.2700 -11.9577 -11.9577 -11.7365 -11.7365 2.2309 2.2309 2.2662 2.2662 2.4715 2.4715 3.6064 3.6064 3.8945 3.8945 3.9380 3.9380 13.5441 13.5441 14.1254 14.1254 14.1283 14.1283 16.0837 16.0837 k = 0.2404 0.1388 0.0981 ( 1474 PWs) bands (ev): -31.0961 -31.0961 -15.8837 -15.8837 -15.0139 -15.0139 -12.2694 -12.2694 -11.9597 -11.9597 -11.7207 -11.7207 2.2501 2.2501 2.2855 2.2855 2.5036 2.5036 3.5732 3.5732 3.8764 3.8764 3.9202 3.9202 13.6161 13.6161 14.1337 14.1337 14.1367 14.1367 16.0686 16.0686 k = 0.2500 0.1443 0.1021 ( 1468 PWs) bands (ev): -31.0943 -31.0943 -15.8895 -15.8895 -15.0297 -15.0297 -12.2688 -12.2688 -11.9616 -11.9616 -11.7047 -11.7047 2.2696 2.2696 2.3050 2.3050 2.5357 2.5357 3.5403 3.5403 3.8582 3.8582 3.9022 3.9022 13.6872 13.6872 14.1420 14.1420 14.1453 14.1453 16.0551 16.0551 k = 0.2596 0.1499 0.1060 ( 1471 PWs) bands (ev): -31.0925 -31.0925 -15.8951 -15.8951 -15.0459 -15.0459 -12.2685 -12.2685 -11.9636 -11.9636 -11.6885 -11.6885 2.2894 2.2894 2.3248 2.3248 2.5677 2.5677 3.5079 3.5079 3.8399 3.8399 3.8841 3.8841 13.7569 13.7569 14.1503 14.1503 14.1536 14.1536 16.0431 16.0431 k = 0.2692 0.1554 0.1099 ( 1471 PWs) bands (ev): -31.0907 -31.0907 -15.9004 -15.9004 -15.0624 -15.0624 -12.2683 -12.2683 -11.9656 -11.9656 -11.6721 -11.6721 2.3093 2.3093 2.3447 2.3447 2.5994 2.5994 3.4760 3.4760 3.8214 3.8214 3.8658 3.8658 13.8251 13.8251 14.1584 14.1584 14.1619 14.1619 16.0326 16.0326 k = 0.2788 0.1610 0.1138 ( 1465 PWs) bands (ev): -31.0890 -31.0890 -15.9052 -15.9052 -15.0791 -15.0791 -12.2682 -12.2682 -11.9676 -11.9676 -11.6556 -11.6556 2.3294 2.3294 2.3648 2.3648 2.6308 2.6308 3.4449 3.4449 3.8029 3.8029 3.8475 3.8475 13.8917 13.8917 14.1664 14.1664 14.1700 14.1700 16.0236 16.0236 k = 0.2885 0.1665 0.1178 ( 1459 PWs) bands (ev): -31.0872 -31.0872 -15.9096 -15.9096 -15.0960 -15.0960 -12.2681 -12.2681 -11.9695 -11.9695 -11.6391 -11.6391 2.3496 2.3496 2.3850 2.3850 2.6618 2.6618 3.4145 3.4145 3.7844 3.7844 3.8292 3.8292 13.9564 13.9564 14.1743 14.1743 14.1780 14.1780 16.0155 16.0155 k = 0.2981 0.1721 0.1217 ( 1471 PWs) bands (ev): -31.0855 -31.0855 -15.9137 -15.9137 -15.1130 -15.1130 -12.2684 -12.2684 -11.9715 -11.9715 -11.6228 -11.6228 2.3696 2.3696 2.4051 2.4051 2.6921 2.6921 3.3849 3.3849 3.7659 3.7659 3.8109 3.8109 14.0192 14.0192 14.1819 14.1819 14.1857 14.1857 16.0080 16.0080 k = 0.3077 0.1776 0.1256 ( 1471 PWs) bands (ev): -31.0838 -31.0838 -15.9173 -15.9173 -15.1300 -15.1300 -12.2686 -12.2686 -11.9733 -11.9733 -11.6066 -11.6066 2.3897 2.3897 2.4251 2.4251 2.7217 2.7217 3.3562 3.3562 3.7475 3.7475 3.7928 3.7928 14.0799 14.0799 14.1895 14.1895 14.1933 14.1933 16.0010 16.0010 k = 0.3173 0.1832 0.1295 ( 1471 PWs) bands (ev): -31.0822 -31.0822 -15.9205 -15.9205 -15.1469 -15.1469 -12.2689 -12.2689 -11.9752 -11.9752 -11.5906 -11.5906 2.4096 2.4096 2.4451 2.4451 2.7506 2.7506 3.3286 3.3286 3.7293 3.7293 3.7748 3.7748 14.1385 14.1385 14.1972 14.1972 14.2007 14.2007 15.9943 15.9943 k = 0.3269 0.1887 0.1335 ( 1477 PWs) bands (ev): -31.0806 -31.0806 -15.9232 -15.9232 -15.1637 -15.1637 -12.2692 -12.2692 -11.9770 -11.9770 -11.5750 -11.5750 2.4293 2.4293 2.4648 2.4648 2.7786 2.7786 3.3020 3.3020 3.7113 3.7113 3.7570 3.7570 14.1918 14.1918 14.2077 14.2077 14.2078 14.2078 15.9870 15.9870 k = 0.3365 0.1943 0.1374 ( 1477 PWs) bands (ev): -31.0790 -31.0790 -15.9256 -15.9256 -15.1803 -15.1803 -12.2696 -12.2696 -11.9787 -11.9787 -11.5598 -11.5598 2.4487 2.4487 2.4842 2.4842 2.8055 2.8055 3.2766 3.2766 3.6936 3.6936 3.7395 3.7395 14.2087 14.2087 14.2145 14.2145 14.2527 14.2527 15.9790 15.9790 k = 0.3462 0.1999 0.1413 ( 1471 PWs) bands (ev): -31.0775 -31.0775 -15.9275 -15.9275 -15.1966 -15.1966 -12.2700 -12.2700 -11.9803 -11.9803 -11.5449 -11.5449 2.4677 2.4677 2.5032 2.5032 2.8314 2.8314 3.2524 3.2524 3.6763 3.6763 3.7224 3.7224 14.2158 14.2158 14.2211 14.2211 14.3055 14.3055 15.9698 15.9698 k = 0.3558 0.2054 0.1452 ( 1471 PWs) bands (ev): -31.0761 -31.0761 -15.9291 -15.9291 -15.2125 -15.2125 -12.2704 -12.2704 -11.9819 -11.9819 -11.5307 -11.5307 2.4863 2.4863 2.5218 2.5218 2.8560 2.8560 3.2295 3.2295 3.6595 3.6595 3.7057 3.7057 14.2221 14.2221 14.2273 14.2273 14.3569 14.3569 15.9591 15.9591 k = 0.3654 0.2110 0.1492 ( 1471 PWs) bands (ev): -31.0747 -31.0747 -15.9303 -15.9303 -15.2280 -15.2280 -12.2709 -12.2709 -11.9834 -11.9834 -11.5170 -11.5170 2.5044 2.5044 2.5399 2.5399 2.8794 2.8794 3.2078 3.2078 3.6430 3.6430 3.6895 3.6895 14.2280 14.2280 14.2332 14.2332 14.4070 14.4070 15.9466 15.9466 k = 0.3750 0.2165 0.1531 ( 1471 PWs) bands (ev): -31.0734 -31.0734 -15.9311 -15.9311 -15.2429 -15.2429 -12.2714 -12.2714 -11.9849 -11.9849 -11.5040 -11.5040 2.5219 2.5219 2.5574 2.5574 2.9014 2.9014 3.1876 3.1876 3.6272 3.6272 3.6739 3.6739 14.2335 14.2335 14.2387 14.2387 14.4555 14.4555 15.9322 15.9322 k = 0.3846 0.2221 0.1570 ( 1471 PWs) bands (ev): -31.0722 -31.0722 -15.9317 -15.9317 -15.2572 -15.2572 -12.2719 -12.2719 -11.9862 -11.9862 -11.4917 -11.4917 2.5387 2.5387 2.5741 2.5741 2.9220 2.9220 3.1688 3.1688 3.6120 3.6120 3.6589 3.6589 14.2386 14.2386 14.2438 14.2438 14.5027 14.5027 15.9157 15.9157 k = 0.3942 0.2276 0.1609 ( 1477 PWs) bands (ev): -31.0710 -31.0710 -15.9320 -15.9320 -15.2708 -15.2708 -12.2724 -12.2724 -11.9875 -11.9875 -11.4802 -11.4802 2.5545 2.5545 2.5900 2.5900 2.9411 2.9411 3.1514 3.1514 3.5975 3.5975 3.6446 3.6446 14.2432 14.2432 14.2485 14.2485 14.5484 14.5484 15.8971 15.8971 k = 0.4038 0.2332 0.1649 ( 1486 PWs) bands (ev): -31.0700 -31.0700 -15.9321 -15.9321 -15.2836 -15.2836 -12.2729 -12.2729 -11.9887 -11.9887 -11.4695 -11.4695 2.5696 2.5696 2.6050 2.6050 2.9585 2.9585 3.1355 3.1355 3.5838 3.5838 3.6311 3.6311 14.2475 14.2475 14.2528 14.2528 14.5926 14.5926 15.8765 15.8765 k = 0.4135 0.2387 0.1688 ( 1486 PWs) bands (ev): -31.0690 -31.0690 -15.9319 -15.9319 -15.2955 -15.2955 -12.2733 -12.2733 -11.9898 -11.9898 -11.4597 -11.4597 2.5836 2.5836 2.6190 2.6190 2.9743 2.9743 3.1213 3.1213 3.5710 3.5710 3.6186 3.6186 14.2514 14.2514 14.2568 14.2568 14.6351 14.6351 15.8544 15.8544 k = 0.4231 0.2443 0.1727 ( 1486 PWs) bands (ev): -31.0681 -31.0681 -15.9316 -15.9316 -15.3064 -15.3064 -12.2738 -12.2738 -11.9907 -11.9907 -11.4507 -11.4507 2.5966 2.5966 2.6319 2.6319 2.9884 2.9884 3.1088 3.1088 3.5593 3.5593 3.6070 3.6070 14.2550 14.2550 14.2603 14.2603 14.6758 14.6758 15.8311 15.8311 k = 0.4327 0.2498 0.1766 ( 1486 PWs) bands (ev): -31.0673 -31.0673 -15.9312 -15.9312 -15.3163 -15.3163 -12.2741 -12.2741 -11.9916 -11.9916 -11.4428 -11.4428 2.6083 2.6083 2.6436 2.6436 3.0005 3.0005 3.0980 3.0980 3.5486 3.5486 3.5965 3.5965 14.2581 14.2581 14.2635 14.2635 14.7143 14.7143 15.8072 15.8072 k = 0.4423 0.2554 0.1806 ( 1486 PWs) bands (ev): -31.0666 -31.0666 -15.9308 -15.9308 -15.3250 -15.3250 -12.2745 -12.2745 -11.9923 -11.9923 -11.4358 -11.4358 2.6187 2.6187 2.6540 2.6540 3.0106 3.0106 3.0891 3.0891 3.5391 3.5391 3.5872 3.5872 14.2608 14.2608 14.2663 14.2663 14.7500 14.7500 15.7835 15.7835 k = 0.4519 0.2609 0.1845 ( 1486 PWs) bands (ev): -31.0661 -31.0661 -15.9303 -15.9303 -15.3325 -15.3325 -12.2748 -12.2748 -11.9930 -11.9930 -11.4298 -11.4298 2.6277 2.6277 2.6629 2.6629 3.0186 3.0186 3.0822 3.0822 3.5310 3.5310 3.5792 3.5792 14.2631 14.2631 14.2686 14.2686 14.7823 14.7823 15.7607 15.7607 k = 0.4615 0.2665 0.1884 ( 1486 PWs) bands (ev): -31.0656 -31.0656 -15.9298 -15.9298 -15.3388 -15.3388 -12.2750 -12.2750 -11.9935 -11.9935 -11.4249 -11.4249 2.6351 2.6351 2.6704 2.6704 3.0243 3.0243 3.0773 3.0773 3.5241 3.5241 3.5725 3.5725 14.2650 14.2650 14.2705 14.2705 14.8106 14.8106 15.7399 15.7399 k = 0.4712 0.2720 0.1923 ( 1477 PWs) bands (ev): -31.0652 -31.0652 -15.9294 -15.9294 -15.3437 -15.3437 -12.2751 -12.2751 -11.9938 -11.9938 -11.4210 -11.4210 2.6411 2.6411 2.6763 2.6763 3.0280 3.0280 3.0744 3.0744 3.5187 3.5187 3.5672 3.5672 14.2666 14.2666 14.2721 14.2721 14.8337 14.8337 15.7222 15.7222 k = 0.4808 0.2776 0.1963 ( 1477 PWs) bands (ev): -31.0649 -31.0649 -15.9291 -15.9291 -15.3472 -15.3472 -12.2753 -12.2753 -11.9941 -11.9941 -11.4183 -11.4183 2.6454 2.6454 2.6806 2.6806 3.0299 3.0299 3.0730 3.0730 3.5148 3.5148 3.5634 3.5634 14.2677 14.2677 14.2732 14.2732 14.8512 14.8512 15.7086 15.7086 k = 0.4904 0.2831 0.2002 ( 1476 PWs) bands (ev): -31.0648 -31.0648 -15.9289 -15.9289 -15.3494 -15.3494 -12.2754 -12.2754 -11.9943 -11.9943 -11.4166 -11.4166 2.6480 2.6480 2.6832 2.6832 3.0306 3.0306 3.0726 3.0726 3.5125 3.5125 3.5611 3.5611 14.2683 14.2683 14.2738 14.2738 14.8621 14.8621 15.7000 15.7000 k = 0.5000 0.2887 0.2041 ( 1476 PWs) bands (ev): -31.0647 -31.0647 -15.9288 -15.9288 -15.3501 -15.3501 -12.2754 -12.2754 -11.9944 -11.9944 -11.4160 -11.4160 2.6488 2.6488 2.6840 2.6840 3.0308 3.0308 3.0725 3.0725 3.5117 3.5117 3.5603 3.5603 14.2685 14.2685 14.2741 14.2741 14.8657 14.8657 15.6970 15.6970 k = 0.5000 0.2887 0.2041 ( 1476 PWs) bands (ev): -31.0647 -31.0647 -15.9288 -15.9288 -15.3501 -15.3501 -12.2754 -12.2754 -11.9944 -11.9944 -11.4160 -11.4160 2.6488 2.6488 2.6840 2.6840 3.0308 3.0308 3.0725 3.0725 3.5117 3.5117 3.5603 3.5603 14.2685 14.2685 14.2741 14.2741 14.8657 14.8657 15.6970 15.6970 k = 0.5034 0.2789 0.2096 ( 1476 PWs) bands (ev): -31.0647 -31.0647 -15.9286 -15.9286 -15.3507 -15.3507 -12.2751 -12.2751 -11.9941 -11.9941 -11.4163 -11.4163 2.6474 2.6474 2.6826 2.6826 3.0274 3.0274 3.0766 3.0766 3.5131 3.5131 3.5617 3.5617 14.2660 14.2660 14.2732 14.2732 14.8660 14.8660 15.6983 15.6983 k = 0.5068 0.2692 0.2152 ( 1476 PWs) bands (ev): -31.0646 -31.0646 -15.9280 -15.9280 -15.3526 -15.3526 -12.2742 -12.2742 -11.9931 -11.9931 -11.4172 -11.4172 2.6421 2.6421 2.6794 2.6794 3.0176 3.0176 3.0885 3.0885 3.5168 3.5168 3.5662 3.5662 14.2551 14.2551 14.2740 14.2740 14.8667 14.8667 15.7018 15.7018 k = 0.5101 0.2594 0.2207 ( 1480 PWs) bands (ev): -31.0645 -31.0645 -15.9269 -15.9269 -15.3557 -15.3557 -12.2727 -12.2727 -11.9916 -11.9916 -11.4187 -11.4187 2.6313 2.6313 2.6772 2.6772 3.0024 3.0024 3.1068 3.1068 3.5211 3.5211 3.5750 3.5750 14.2363 14.2363 14.2765 14.2765 14.8679 14.8679 15.7065 15.7065 k = 0.5135 0.2497 0.2262 ( 1482 PWs) bands (ev): -31.0643 -31.0643 -15.9254 -15.9254 -15.3600 -15.3600 -12.2708 -12.2708 -11.9895 -11.9895 -11.4207 -11.4207 2.6150 2.6150 2.6772 2.6772 2.9826 2.9826 3.1303 3.1303 3.5246 3.5246 3.5885 3.5885 14.2109 14.2109 14.2803 14.2803 14.8696 14.8696 15.7112 15.7112 k = 0.5169 0.2399 0.2317 ( 1482 PWs) bands (ev): -31.0641 -31.0641 -15.9235 -15.9235 -15.3655 -15.3655 -12.2683 -12.2683 -11.9866 -11.9866 -11.4232 -11.4232 2.5944 2.5944 2.6790 2.6790 2.9593 2.9593 3.1580 3.1580 3.5266 3.5266 3.6065 3.6065 14.1799 14.1799 14.2853 14.2853 14.8717 14.8717 15.7146 15.7146 k = 0.5203 0.2302 0.2372 ( 1480 PWs) bands (ev): -31.0638 -31.0638 -15.9212 -15.9212 -15.3722 -15.3722 -12.2655 -12.2655 -11.9831 -11.9831 -11.4263 -11.4263 2.5710 2.5710 2.6822 2.6822 2.9334 2.9334 3.1888 3.1888 3.5276 3.5276 3.6279 3.6279 14.1444 14.1444 14.2914 14.2914 14.8743 14.8743 15.7156 15.7156 k = 0.5236 0.2204 0.2427 ( 1482 PWs) bands (ev): -31.0635 -31.0635 -15.9185 -15.9185 -15.3799 -15.3799 -12.2624 -12.2624 -11.9789 -11.9789 -11.4298 -11.4298 2.5456 2.5456 2.6864 2.6864 2.9055 2.9055 3.2220 3.2220 3.5278 3.5278 3.6516 3.6516 14.1052 14.1052 14.2985 14.2985 14.8773 14.8773 15.7136 15.7136 k = 0.5270 0.2107 0.2483 ( 1484 PWs) bands (ev): -31.0631 -31.0631 -15.9154 -15.9154 -15.3886 -15.3886 -12.2591 -12.2591 -11.9739 -11.9739 -11.4339 -11.4339 2.5188 2.5188 2.6914 2.6914 2.8765 2.8765 3.2570 3.2570 3.5275 3.5275 3.6769 3.6769 14.0633 14.0633 14.3067 14.3067 14.8808 14.8808 15.7084 15.7084 k = 0.5304 0.2009 0.2538 ( 1488 PWs) bands (ev): -31.0627 -31.0627 -15.9120 -15.9120 -15.3983 -15.3983 -12.2556 -12.2556 -11.9683 -11.9683 -11.4383 -11.4383 2.4911 2.4911 2.6970 2.6970 2.8469 2.8469 3.2932 3.2932 3.5268 3.5268 3.7032 3.7032 14.0194 14.0194 14.3159 14.3159 14.8845 14.8845 15.7002 15.7002 k = 0.5338 0.1911 0.2593 ( 1488 PWs) bands (ev): -31.0622 -31.0622 -15.9082 -15.9082 -15.4088 -15.4088 -12.2522 -12.2522 -11.9618 -11.9618 -11.4431 -11.4431 2.4627 2.4627 2.7031 2.7031 2.8173 2.8173 3.3303 3.3303 3.5261 3.5261 3.7300 3.7300 13.9743 13.9743 14.3261 14.3261 14.8887 14.8887 15.6891 15.6891 k = 0.5372 0.1814 0.2648 ( 1484 PWs) bands (ev): -31.0617 -31.0617 -15.9041 -15.9041 -15.4202 -15.4202 -12.2488 -12.2488 -11.9546 -11.9546 -11.4482 -11.4482 2.4337 2.4337 2.7094 2.7094 2.7885 2.7885 3.3678 3.3678 3.5253 3.5253 3.7572 3.7572 13.9285 13.9285 14.3371 14.3371 14.8932 14.8932 15.6755 15.6755 k = 0.5405 0.1716 0.2703 ( 1481 PWs) bands (ev): -31.0612 -31.0612 -15.8997 -15.8997 -15.4322 -15.4322 -12.2456 -12.2456 -11.9467 -11.9467 -11.4535 -11.4535 2.4041 2.4041 2.7147 2.7147 2.7617 2.7617 3.4055 3.4055 3.5247 3.5247 3.7844 3.7844 13.8825 13.8825 14.3491 14.3491 14.8980 14.8980 15.6597 15.6597 k = 0.5439 0.1619 0.2758 ( 1484 PWs) bands (ev): -31.0606 -31.0606 -15.8951 -15.8951 -15.4448 -15.4448 -12.2426 -12.2426 -11.9381 -11.9381 -11.4591 -11.4591 2.3739 2.3739 2.7138 2.7138 2.7425 2.7425 3.4429 3.4429 3.5245 3.5245 3.8116 3.8116 13.8366 13.8366 14.3620 14.3620 14.9029 14.9029 15.6419 15.6419 k = 0.5473 0.1521 0.2814 ( 1482 PWs) bands (ev): -31.0600 -31.0600 -15.8903 -15.8903 -15.4578 -15.4578 -12.2399 -12.2399 -11.9290 -11.9290 -11.4647 -11.4647 2.3432 2.3432 2.6969 2.6969 2.7410 2.7410 3.4786 3.4786 3.5258 3.5258 3.8385 3.8385 13.7912 13.7912 14.3757 14.3757 14.9080 14.9080 15.6225 15.6225 k = 0.5507 0.1424 0.2869 ( 1483 PWs) bands (ev): -31.0594 -31.0594 -15.8854 -15.8854 -15.4713 -15.4713 -12.2376 -12.2376 -11.9195 -11.9195 -11.4703 -11.4703 2.3120 2.3120 2.6740 2.6740 2.7471 2.7471 3.5065 3.5065 3.5346 3.5346 3.8652 3.8652 13.7466 13.7466 14.3900 14.3900 14.9131 14.9131 15.6018 15.6018 k = 0.5541 0.1326 0.2924 ( 1483 PWs) bands (ev): -31.0587 -31.0587 -15.8804 -15.8804 -15.4849 -15.4849 -12.2357 -12.2357 -11.9096 -11.9096 -11.4758 -11.4758 2.2803 2.2803 2.6515 2.6515 2.7547 2.7547 3.5153 3.5153 3.5621 3.5621 3.8917 3.8917 13.7029 13.7029 14.4052 14.4052 14.9180 14.9180 15.5803 15.5803 k = 0.5574 0.1229 0.2979 ( 1485 PWs) bands (ev): -31.0581 -31.0581 -15.8754 -15.8754 -15.4985 -15.4985 -12.2341 -12.2341 -11.8995 -11.8995 -11.4811 -11.4811 2.2482 2.2482 2.6304 2.6304 2.7628 2.7628 3.5173 3.5173 3.5959 3.5959 3.9179 3.9179 13.6604 13.6604 14.4209 14.4209 14.9228 14.9228 15.5581 15.5581 k = 0.5608 0.1131 0.3034 ( 1485 PWs) bands (ev): -31.0574 -31.0574 -15.8705 -15.8705 -15.5121 -15.5121 -12.2329 -12.2329 -11.8895 -11.8895 -11.4860 -11.4860 2.2156 2.2156 2.6109 2.6109 2.7710 2.7710 3.5185 3.5185 3.6297 3.6297 3.9438 3.9438 13.6191 13.6191 14.4373 14.4373 14.9272 14.9272 15.5358 15.5358 k = 0.5642 0.1034 0.3089 ( 1486 PWs) bands (ev): -31.0567 -31.0567 -15.8659 -15.8659 -15.5253 -15.5253 -12.2321 -12.2321 -11.8797 -11.8797 -11.4904 -11.4904 2.1828 2.1828 2.5934 2.5934 2.7791 2.7791 3.5197 3.5197 3.6626 3.6626 3.9695 3.9695 13.5792 13.5792 14.4542 14.4542 14.9309 14.9309 15.5135 15.5135 k = 0.5676 0.0936 0.3145 ( 1484 PWs) bands (ev): -31.0560 -31.0560 -15.8617 -15.8617 -15.5381 -15.5381 -12.2317 -12.2317 -11.8704 -11.8704 -11.4941 -11.4941 2.1498 2.1498 2.5777 2.5777 2.7870 2.7870 3.5213 3.5213 3.6941 3.6941 3.9950 3.9950 13.5409 13.5409 14.4716 14.4716 14.9340 14.9340 15.4918 15.4918 k = 0.5709 0.0839 0.3200 ( 1482 PWs) bands (ev): -31.0553 -31.0553 -15.8580 -15.8580 -15.5500 -15.5500 -12.2316 -12.2316 -11.8617 -11.8617 -11.4969 -11.4969 2.1167 2.1167 2.5640 2.5640 2.7945 2.7945 3.5235 3.5235 3.7240 3.7240 4.0204 4.0204 13.5040 13.5040 14.4894 14.4894 14.9359 14.9359 15.4711 15.4711 k = 0.5743 0.0741 0.3255 ( 1484 PWs) bands (ev): -31.0546 -31.0546 -15.8551 -15.8551 -15.5610 -15.5610 -12.2319 -12.2319 -11.8541 -11.8541 -11.4987 -11.4987 2.0837 2.0837 2.5520 2.5520 2.8014 2.8014 3.5264 3.5264 3.7520 3.7520 4.0455 4.0455 13.4686 13.4686 14.5075 14.5075 14.9366 14.9366 15.4517 15.4517 k = 0.5777 0.0644 0.3310 ( 1486 PWs) bands (ev): -31.0539 -31.0539 -15.8532 -15.8532 -15.5707 -15.5707 -12.2325 -12.2325 -11.8476 -11.8476 -11.4993 -11.4993 2.0510 2.0510 2.5418 2.5418 2.8078 2.8078 3.5300 3.5300 3.7781 3.7781 4.0704 4.0704 13.4349 13.4349 14.5259 14.5259 14.9356 14.9356 15.4342 15.4342 k = 0.5811 0.0546 0.3365 ( 1487 PWs) bands (ev): -31.0532 -31.0532 -15.8525 -15.8525 -15.5788 -15.5788 -12.2333 -12.2333 -11.8424 -11.8424 -11.4986 -11.4986 2.0187 2.0187 2.5333 2.5333 2.8135 2.8135 3.5345 3.5345 3.8021 3.8021 4.0950 4.0950 13.4029 13.4029 14.5444 14.5444 14.9329 14.9329 15.4189 15.4189 k = 0.5845 0.0449 0.3420 ( 1487 PWs) bands (ev): -31.0525 -31.0525 -15.8531 -15.8531 -15.5851 -15.5851 -12.2344 -12.2344 -11.8387 -11.8387 -11.4964 -11.4964 1.9869 1.9869 2.5264 2.5264 2.8183 2.8183 3.5400 3.5400 3.8241 3.8241 4.1193 4.1193 13.3724 13.3724 14.5631 14.5631 14.9281 14.9281 15.4063 15.4063 k = 0.5878 0.0351 0.3476 ( 1491 PWs) bands (ev): -31.0519 -31.0519 -15.8554 -15.8554 -15.5895 -15.5895 -12.2358 -12.2358 -11.8367 -11.8367 -11.4929 -11.4929 1.9558 1.9558 2.5209 2.5209 2.8222 2.8222 3.5463 3.5463 3.8440 3.8440 4.1430 4.1430 13.3436 13.3436 14.5817 14.5817 14.9212 14.9212 15.3965 15.3965 k = 0.5912 0.0254 0.3531 ( 1486 PWs) bands (ev): -31.0512 -31.0512 -15.8591 -15.8591 -15.5917 -15.5917 -12.2373 -12.2373 -11.8362 -11.8362 -11.4879 -11.4879 1.9256 1.9256 2.5168 2.5168 2.8252 2.8252 3.5537 3.5537 3.8620 3.8620 4.1661 4.1661 13.3165 13.3165 14.6004 14.6004 14.9123 14.9123 15.3897 15.3897 k = 0.5946 0.0156 0.3586 ( 1490 PWs) bands (ev): -31.0506 -31.0506 -15.8646 -15.8646 -15.5918 -15.5918 -12.2391 -12.2391 -11.8373 -11.8373 -11.4817 -11.4817 1.8962 1.8962 2.5140 2.5140 2.8272 2.8272 3.5621 3.5621 3.8780 3.8780 4.1884 4.1884 13.2909 13.2909 14.6189 14.6189 14.9015 14.9015 15.3858 15.3858 k = 0.5980 0.0059 0.3641 ( 1492 PWs) bands (ev): -31.0500 -31.0500 -15.8714 -15.8714 -15.5898 -15.5898 -12.2410 -12.2410 -11.8399 -11.8399 -11.4743 -11.4743 1.8680 1.8680 2.5124 2.5124 2.8281 2.8281 3.5715 3.5715 3.8923 3.8923 4.2097 4.2097 13.2669 13.2669 14.6372 14.6372 14.8889 14.8889 15.3849 15.3849 k = 0.6014-0.0039 0.3696 ( 1492 PWs) bands (ev): -31.0495 -31.0495 -15.8796 -15.8796 -15.5858 -15.5858 -12.2430 -12.2430 -11.8437 -11.8437 -11.4659 -11.4659 1.8410 1.8410 2.5118 2.5118 2.8279 2.8279 3.5819 3.5819 3.9049 3.9049 4.2297 4.2297 13.2444 13.2444 14.6553 14.6553 14.8751 14.8751 15.3867 15.3867 k = 0.6047-0.0137 0.3751 ( 1496 PWs) bands (ev): -31.0490 -31.0490 -15.8889 -15.8889 -15.5802 -15.5802 -12.2452 -12.2452 -11.8488 -11.8488 -11.4568 -11.4568 1.8152 1.8152 2.5121 2.5121 2.8266 2.8266 3.5934 3.5934 3.9160 3.9160 4.2484 4.2484 13.2234 13.2234 14.6729 14.6729 14.8605 14.8605 15.3909 15.3909 k = 0.6081-0.0234 0.3807 ( 1494 PWs) bands (ev): -31.0485 -31.0485 -15.8991 -15.8991 -15.5729 -15.5729 -12.2475 -12.2475 -11.8549 -11.8549 -11.4471 -11.4471 1.7909 1.7909 2.5133 2.5133 2.8242 2.8242 3.6057 3.6057 3.9258 3.9258 4.2655 4.2655 13.2040 13.2040 14.6902 14.6902 14.8453 14.8453 15.3974 15.3974 k = 0.6115-0.0332 0.3862 ( 1490 PWs) bands (ev): -31.0481 -31.0481 -15.9098 -15.9098 -15.5643 -15.5643 -12.2498 -12.2498 -11.8618 -11.8618 -11.4370 -11.4370 1.7681 1.7681 2.5152 2.5152 2.8207 2.8207 3.6190 3.6190 3.9342 3.9342 4.2809 4.2809 13.1860 13.1860 14.7069 14.7069 14.8302 14.8302 15.4056 15.4056 k = 0.6149-0.0429 0.3917 ( 1488 PWs) bands (ev): -31.0477 -31.0477 -15.9211 -15.9211 -15.5545 -15.5545 -12.2523 -12.2523 -11.8693 -11.8693 -11.4267 -11.4267 1.7469 1.7469 2.5176 2.5176 2.8162 2.8162 3.6331 3.6331 3.9416 3.9416 4.2944 4.2944 13.1695 13.1695 14.7229 14.7229 14.8156 14.8156 15.4154 15.4154 k = 0.6182-0.0527 0.3972 ( 1490 PWs) bands (ev): -31.0474 -31.0474 -15.9325 -15.9325 -15.5437 -15.5437 -12.2548 -12.2548 -11.8775 -11.8775 -11.4165 -11.4165 1.7274 1.7274 2.5205 2.5205 2.8106 2.8106 3.6480 3.6480 3.9480 3.9480 4.3058 4.3058 13.1543 13.1543 14.7381 14.7381 14.8018 14.8018 15.4265 15.4265 k = 0.6216-0.0624 0.4027 ( 1486 PWs) bands (ev): -31.0471 -31.0471 -15.9441 -15.9441 -15.5321 -15.5321 -12.2573 -12.2573 -11.8860 -11.8860 -11.4063 -11.4063 1.7097 1.7097 2.5238 2.5238 2.8041 2.8041 3.6635 3.6635 3.9536 3.9536 4.3151 4.3151 13.1406 13.1406 14.7521 14.7521 14.7896 14.7896 15.4388 15.4388 k = 0.6250-0.0722 0.4082 ( 1480 PWs) bands (ev): -31.0469 -31.0469 -15.9556 -15.9556 -15.5196 -15.5196 -12.2599 -12.2599 -11.8948 -11.8948 -11.3964 -11.3964 1.6939 1.6939 2.5273 2.5273 2.7966 2.7966 3.6797 3.6797 3.9585 3.9585 4.3222 4.3222 13.1282 13.1282 14.7629 14.7629 14.7812 14.7812 15.4519 15.4519 k = 0.6250-0.0722 0.4082 ( 1480 PWs) bands (ev): -31.0469 -31.0469 -15.9556 -15.9556 -15.5196 -15.5196 -12.2599 -12.2599 -11.8948 -11.8948 -11.3964 -11.3964 1.6939 1.6939 2.5273 2.5273 2.7966 2.7966 3.6797 3.6797 3.9585 3.9585 4.3222 4.3222 13.1282 13.1282 14.7629 14.7629 14.7812 14.7812 15.4519 15.4519 k = 0.6193-0.0689 0.4175 ( 1483 PWs) bands (ev): -31.0469 -31.0469 -15.9551 -15.9551 -15.5202 -15.5202 -12.2601 -12.2601 -11.8941 -11.8941 -11.3969 -11.3969 1.6945 1.6945 2.5237 2.5237 2.8000 2.8000 3.6779 3.6779 3.9599 3.9599 4.3221 4.3221 13.1286 13.1286 14.7625 14.7625 14.7815 14.7815 15.4504 15.4504 k = 0.6136-0.0656 0.4268 ( 1483 PWs) bands (ev): -31.0469 -31.0469 -15.9538 -15.9538 -15.5221 -15.5221 -12.2604 -12.2604 -11.8919 -11.8919 -11.3982 -11.3982 1.6966 1.6966 2.5134 2.5134 2.8099 2.8099 3.6727 3.6727 3.9641 3.9641 4.3219 4.3219 13.1298 13.1298 14.7616 14.7616 14.7826 14.7826 15.4457 15.4457 k = 0.6080-0.0623 0.4361 ( 1487 PWs) bands (ev): -31.0469 -31.0469 -15.9517 -15.9517 -15.5253 -15.5253 -12.2609 -12.2609 -11.8884 -11.8884 -11.4005 -11.4005 1.6998 1.6998 2.4975 2.4975 2.8248 2.8248 3.6644 3.6644 3.9706 3.9706 4.3216 4.3216 13.1318 13.1318 14.7600 14.7600 14.7846 14.7846 15.4381 15.4381 k = 0.6023-0.0590 0.4454 ( 1485 PWs) bands (ev): -31.0468 -31.0468 -15.9487 -15.9487 -15.5296 -15.5296 -12.2616 -12.2616 -11.8834 -11.8834 -11.4036 -11.4036 1.7045 1.7045 2.4777 2.4777 2.8435 2.8435 3.6534 3.6534 3.9792 3.9792 4.3211 4.3211 13.1347 13.1347 14.7578 14.7578 14.7876 14.7876 15.4276 15.4276 k = 0.5966-0.0558 0.4546 ( 1488 PWs) bands (ev): -31.0467 -31.0467 -15.9448 -15.9448 -15.5351 -15.5351 -12.2624 -12.2624 -11.8772 -11.8772 -11.4076 -11.4076 1.7104 1.7104 2.4549 2.4549 2.8648 2.8648 3.6402 3.6402 3.9891 3.9891 4.3206 4.3206 13.1382 13.1382 14.7548 14.7548 14.7915 14.7915 15.4144 15.4144 k = 0.5909-0.0525 0.4639 ( 1484 PWs) bands (ev): -31.0467 -31.0467 -15.9401 -15.9401 -15.5418 -15.5418 -12.2633 -12.2633 -11.8697 -11.8697 -11.4123 -11.4123 1.7177 1.7177 2.4302 2.4302 2.8878 2.8878 3.6252 3.6252 4.0000 4.0000 4.3200 4.3200 13.1423 13.1423 14.7512 14.7512 14.7966 14.7966 15.3987 15.3987 k = 0.5852-0.0492 0.4732 ( 1488 PWs) bands (ev): -31.0466 -31.0466 -15.9345 -15.9345 -15.5496 -15.5496 -12.2644 -12.2644 -11.8611 -11.8611 -11.4179 -11.4179 1.7261 1.7261 2.4042 2.4042 2.9119 2.9119 3.6088 3.6088 4.0114 4.0114 4.3195 4.3195 13.1470 13.1470 14.7471 14.7471 14.8025 14.8025 15.3807 15.3807 k = 0.5795-0.0459 0.4825 ( 1488 PWs) bands (ev): -31.0465 -31.0465 -15.9281 -15.9281 -15.5584 -15.5584 -12.2654 -12.2654 -11.8515 -11.8515 -11.4243 -11.4243 1.7357 1.7357 2.3773 2.3773 2.9367 2.9367 3.5912 3.5912 4.0230 4.0230 4.3190 4.3190 13.1521 13.1521 14.7425 14.7425 14.8094 14.8094 15.3608 15.3608 k = 0.5739-0.0426 0.4918 ( 1489 PWs) bands (ev): -31.0464 -31.0464 -15.9209 -15.9209 -15.5683 -15.5683 -12.2665 -12.2665 -11.8410 -11.8410 -11.4314 -11.4314 1.7465 1.7465 2.3499 2.3499 2.9620 2.9620 3.5726 3.5726 4.0345 4.0345 4.3186 4.3186 13.1576 13.1576 14.7377 14.7377 14.8173 14.8173 15.3391 15.3391 k = 0.5682-0.0394 0.5010 ( 1488 PWs) bands (ev): -31.0463 -31.0463 -15.9129 -15.9129 -15.5791 -15.5791 -12.2676 -12.2676 -11.8297 -11.8297 -11.4391 -11.4391 1.7583 1.7583 2.3223 2.3223 2.9875 2.9875 3.5533 3.5533 4.0455 4.0455 4.3185 4.3185 13.1632 13.1632 14.7327 14.7327 14.8263 14.8263 15.3160 15.3160 k = 0.5625-0.0361 0.5103 ( 1486 PWs) bands (ev): -31.0462 -31.0462 -15.9041 -15.9041 -15.5908 -15.5908 -12.2686 -12.2686 -11.8177 -11.8177 -11.4475 -11.4475 1.7711 1.7711 2.2946 2.2946 3.0131 3.0131 3.5333 3.5333 4.0560 4.0560 4.3185 4.3185 13.1690 13.1690 14.7276 14.7276 14.8363 14.8363 15.2916 15.2916 k = 0.5568-0.0328 0.5196 ( 1488 PWs) bands (ev): -31.0460 -31.0460 -15.8945 -15.8945 -15.6033 -15.6033 -12.2696 -12.2696 -11.8052 -11.8052 -11.4564 -11.4564 1.7847 1.7847 2.2672 2.2672 3.0387 3.0387 3.5128 3.5128 4.0657 4.0657 4.3189 4.3189 13.1747 13.1747 14.7226 14.7226 14.8473 14.8473 15.2663 15.2663 k = 0.5511-0.0295 0.5289 ( 1488 PWs) bands (ev): -31.0459 -31.0459 -15.8841 -15.8841 -15.6166 -15.6166 -12.2705 -12.2705 -11.7924 -11.7924 -11.4658 -11.4658 1.7992 1.7992 2.2402 2.2402 3.0643 3.0643 3.4918 3.4918 4.0744 4.0744 4.3195 4.3195 13.1803 13.1803 14.7177 14.7177 14.8594 14.8594 15.2402 15.2402 k = 0.5455-0.0262 0.5381 ( 1486 PWs) bands (ev): -31.0458 -31.0458 -15.8730 -15.8730 -15.6305 -15.6305 -12.2714 -12.2714 -11.7795 -11.7795 -11.4754 -11.4754 1.8143 1.8143 2.2138 2.2138 3.0897 3.0897 3.4705 3.4705 4.0821 4.0821 4.3204 4.3204 13.1857 13.1857 14.7130 14.7130 14.8725 14.8725 15.2138 15.2138 k = 0.5398-0.0230 0.5474 ( 1487 PWs) bands (ev): -31.0457 -31.0457 -15.8612 -15.8612 -15.6450 -15.6450 -12.2721 -12.2721 -11.7665 -11.7665 -11.4853 -11.4853 1.8298 1.8298 2.1882 2.1882 3.1149 3.1149 3.4487 3.4487 4.0887 4.0887 4.3217 4.3217 13.1906 13.1906 14.7087 14.7087 14.8866 14.8866 15.1871 15.1871 k = 0.5341-0.0197 0.5567 ( 1482 PWs) bands (ev): -31.0456 -31.0456 -15.8486 -15.8486 -15.6600 -15.6600 -12.2727 -12.2727 -11.7539 -11.7539 -11.4951 -11.4951 1.8456 1.8456 2.1637 2.1637 3.1401 3.1401 3.4266 3.4266 4.0942 4.0942 4.3231 4.3231 13.1951 13.1951 14.7049 14.7049 14.9019 14.9019 15.1607 15.1607 k = 0.5284-0.0164 0.5660 ( 1480 PWs) bands (ev): -31.0455 -31.0455 -15.8354 -15.8354 -15.6755 -15.6755 -12.2732 -12.2732 -11.7419 -11.7419 -11.5046 -11.5046 1.8611 1.8611 2.1407 2.1407 3.1650 3.1650 3.4042 3.4042 4.0986 4.0986 4.3248 4.3248 13.1989 13.1989 14.7015 14.7015 14.9181 14.9181 15.1344 15.1344 k = 0.5227-0.0131 0.5753 ( 1476 PWs) bands (ev): -31.0454 -31.0454 -15.8216 -15.8216 -15.6913 -15.6913 -12.2735 -12.2735 -11.7309 -11.7309 -11.5134 -11.5134 1.8761 1.8761 2.1198 2.1198 3.1898 3.1898 3.3815 3.3815 4.1019 4.1019 4.3264 4.3264 13.2022 13.2022 14.6987 14.6987 14.9354 14.9354 15.1087 15.1087 k = 0.5170-0.0098 0.5845 ( 1474 PWs) bands (ev): -31.0453 -31.0453 -15.8072 -15.8072 -15.7073 -15.7073 -12.2738 -12.2738 -11.7214 -11.7214 -11.5212 -11.5212 1.8897 1.8897 2.1015 2.1015 3.2144 3.2144 3.3585 3.3585 4.1043 4.1043 4.3280 4.3280 13.2047 13.2047 14.6965 14.6965 14.9537 14.9537 15.0836 15.0836 k = 0.5114-0.0066 0.5938 ( 1480 PWs) bands (ev): -31.0453 -31.0453 -15.7925 -15.7925 -15.7232 -15.7232 -12.2741 -12.2741 -11.7140 -11.7140 -11.5274 -11.5274 1.9009 1.9009 2.0869 2.0869 3.2387 3.2387 3.3353 3.3353 4.1059 4.1059 4.3293 4.3293 13.2065 13.2065 14.6949 14.6949 14.9728 14.9728 15.0593 15.0593 k = 0.5057-0.0033 0.6031 ( 1480 PWs) bands (ev): -31.0452 -31.0452 -15.7781 -15.7781 -15.7384 -15.7384 -12.2742 -12.2742 -11.7093 -11.7093 -11.5314 -11.5314 1.9084 1.9084 2.0774 2.0774 3.2628 3.2628 3.3119 3.3119 4.1068 4.1068 4.3302 4.3302 13.2076 13.2076 14.6939 14.6939 14.9928 14.9928 15.0362 15.0362 k = 0.5000 0.0000 0.6124 ( 1480 PWs) bands (ev): -31.0452 -31.0452 -15.7692 -15.7692 -15.7475 -15.7475 -12.2742 -12.2742 -11.7076 -11.7076 -11.5328 -11.5328 1.9111 1.9111 2.0741 2.0741 3.2825 3.2825 3.2923 3.2923 4.1070 4.1070 4.3305 4.3305 13.2080 13.2080 14.6936 14.6936 15.0112 15.0112 15.0167 15.0167 k = 0.5000 0.0000 0.6124 ( 1480 PWs) bands (ev): -31.0452 -31.0452 -15.7692 -15.7692 -15.7475 -15.7475 -12.2742 -12.2742 -11.7076 -11.7076 -11.5328 -11.5328 1.9111 1.9111 2.0741 2.0741 3.2825 3.2825 3.2923 3.2923 4.1070 4.1070 4.3305 4.3305 13.2080 13.2080 14.6936 14.6936 15.0112 15.0112 15.0167 15.0167 k = 0.5000 0.0067 0.6029 ( 1480 PWs) bands (ev): -31.0453 -31.0453 -15.7691 -15.7691 -15.7474 -15.7474 -12.2740 -12.2740 -11.7077 -11.7077 -11.5329 -11.5329 1.9120 1.9120 2.0744 2.0744 3.2822 3.2822 3.2920 3.2920 4.1069 4.1069 4.3294 4.3294 13.2085 13.2085 14.6930 14.6930 15.0117 15.0117 15.0173 15.0173 k = 0.5000 0.0134 0.5934 ( 1480 PWs) bands (ev): -31.0453 -31.0453 -15.7688 -15.7688 -15.7469 -15.7469 -12.2736 -12.2736 -11.7082 -11.7082 -11.5335 -11.5335 1.9149 1.9149 2.0753 2.0753 3.2807 3.2807 3.2916 3.2916 4.1065 4.1065 4.3259 4.3259 13.2100 13.2100 14.6910 14.6910 15.0125 15.0125 15.0199 15.0199 k = 0.5000 0.0201 0.5839 ( 1474 PWs) bands (ev): -31.0455 -31.0455 -15.7686 -15.7686 -15.7459 -15.7459 -12.2727 -12.2727 -11.7089 -11.7089 -11.5343 -11.5343 1.9197 1.9197 2.0769 2.0769 3.2772 3.2772 3.2918 3.2918 4.1059 4.1059 4.3202 4.3202 13.2125 13.2125 14.6878 14.6878 15.0128 15.0128 15.0253 15.0253 k = 0.5000 0.0269 0.5744 ( 1472 PWs) bands (ev): -31.0456 -31.0456 -15.7687 -15.7687 -15.7441 -15.7441 -12.2716 -12.2716 -11.7100 -11.7100 -11.5354 -11.5354 1.9264 1.9264 2.0791 2.0791 3.2714 3.2714 3.2931 3.2931 4.1049 4.1049 4.3121 4.3121 13.2161 13.2161 14.6833 14.6833 15.0126 15.0126 15.0332 15.0332 k = 0.5000 0.0336 0.5649 ( 1482 PWs) bands (ev): -31.0459 -31.0459 -15.7694 -15.7694 -15.7413 -15.7413 -12.2702 -12.2702 -11.7116 -11.7116 -11.5368 -11.5368 1.9350 1.9350 2.0819 2.0819 3.2636 3.2636 3.2952 3.2952 4.1035 4.1035 4.3018 4.3018 13.2207 13.2207 14.6776 14.6776 15.0120 15.0120 15.0434 15.0434 k = 0.5000 0.0403 0.5554 ( 1484 PWs) bands (ev): -31.0462 -31.0462 -15.7709 -15.7709 -15.7372 -15.7372 -12.2685 -12.2685 -11.7137 -11.7137 -11.5382 -11.5382 1.9454 1.9454 2.0854 2.0854 3.2539 3.2539 3.2980 3.2980 4.1017 4.1017 4.2893 4.2893 13.2265 13.2265 14.6708 14.6708 15.0112 15.0112 15.0559 15.0559 k = 0.5000 0.0470 0.5459 ( 1480 PWs) bands (ev): -31.0465 -31.0465 -15.7730 -15.7730 -15.7319 -15.7319 -12.2666 -12.2666 -11.7162 -11.7162 -11.5396 -11.5396 1.9577 1.9577 2.0895 2.0895 3.2427 3.2427 3.3014 3.3014 4.0995 4.0995 4.2747 4.2747 13.2336 13.2336 14.6630 14.6630 15.0101 15.0101 15.0705 15.0705 k = 0.5000 0.0537 0.5364 ( 1482 PWs) bands (ev): -31.0469 -31.0469 -15.7758 -15.7758 -15.7255 -15.7255 -12.2645 -12.2645 -11.7195 -11.7195 -11.5408 -11.5408 1.9718 1.9718 2.0943 2.0943 3.2299 3.2299 3.3053 3.3053 4.0966 4.0966 4.2579 4.2579 13.2419 13.2419 14.6541 14.6541 15.0085 15.0085 15.0870 15.0870 k = 0.5000 0.0604 0.5269 ( 1482 PWs) bands (ev): -31.0473 -31.0473 -15.7792 -15.7792 -15.7181 -15.7181 -12.2622 -12.2622 -11.7235 -11.7235 -11.5419 -11.5419 1.9876 1.9876 2.0998 2.0998 3.2157 3.2157 3.3097 3.3097 4.0932 4.0932 4.2391 4.2391 13.2515 13.2515 14.6443 14.6443 15.0067 15.0067 15.1054 15.1054 k = 0.5000 0.0671 0.5174 ( 1484 PWs) bands (ev): -31.0477 -31.0477 -15.7830 -15.7830 -15.7098 -15.7098 -12.2597 -12.2597 -11.7283 -11.7283 -11.5426 -11.5426 2.0052 2.0052 2.1060 2.1060 3.2004 3.2004 3.3145 3.3145 4.0891 4.0891 4.2182 4.2182 13.2625 13.2625 14.6337 14.6337 15.0046 15.0046 15.1254 15.1254 k = 0.5000 0.0738 0.5079 ( 1492 PWs) bands (ev): -31.0482 -31.0482 -15.7873 -15.7873 -15.7006 -15.7006 -12.2573 -12.2573 -11.7340 -11.7340 -11.5429 -11.5429 2.0245 2.0245 2.1130 2.1130 3.1838 3.1838 3.3197 3.3197 4.0843 4.0843 4.1954 4.1954 13.2750 13.2750 14.6222 14.6222 15.0020 15.0020 15.1470 15.1470 k = 0.5000 0.0806 0.4984 ( 1492 PWs) bands (ev): -31.0488 -31.0488 -15.7919 -15.7919 -15.6906 -15.6906 -12.2546 -12.2546 -11.7405 -11.7405 -11.5426 -11.5426 2.0454 2.0454 2.1206 2.1206 3.1664 3.1664 3.3253 3.3253 4.0786 4.0786 4.1708 4.1708 13.2891 13.2891 14.6102 14.6102 14.9990 14.9990 15.1700 15.1700 k = 0.5000 0.0873 0.4889 ( 1494 PWs) bands (ev): -31.0493 -31.0493 -15.7969 -15.7969 -15.6798 -15.6798 -12.2520 -12.2520 -11.7480 -11.7480 -11.5417 -11.5417 2.0679 2.0679 2.1291 2.1291 3.1481 3.1481 3.3311 3.3311 4.0721 4.0721 4.1444 4.1444 13.3047 13.3047 14.5976 14.5976 14.9957 14.9957 15.1943 15.1943 k = 0.5000 0.0940 0.4795 ( 1492 PWs) bands (ev): -31.0499 -31.0499 -15.8022 -15.8022 -15.6683 -15.6683 -12.2494 -12.2494 -11.7564 -11.7564 -11.5402 -11.5402 2.0919 2.0919 2.1383 2.1383 3.1291 3.1291 3.3373 3.3373 4.0646 4.0646 4.1164 4.1164 13.3221 13.3221 14.5844 14.5844 14.9919 14.9919 15.2197 15.2197 k = 0.5000 0.1007 0.4700 ( 1492 PWs) bands (ev): -31.0505 -31.0505 -15.8077 -15.8077 -15.6562 -15.6562 -12.2469 -12.2469 -11.7656 -11.7656 -11.5380 -11.5380 2.1173 2.1173 2.1484 2.1484 3.1095 3.1095 3.3436 3.3436 4.0560 4.0560 4.0869 4.0869 13.3412 13.3412 14.5708 14.5708 14.9878 14.9878 15.2460 15.2460 k = 0.5000 0.1074 0.4605 ( 1492 PWs) bands (ev): -31.0512 -31.0512 -15.8134 -15.8134 -15.6436 -15.6436 -12.2444 -12.2444 -11.7757 -11.7757 -11.5353 -11.5353 2.1440 2.1440 2.1594 2.1594 3.0895 3.0895 3.3501 3.3501 4.0458 4.0458 4.0565 4.0565 13.3621 13.3621 14.5568 14.5568 14.9833 14.9833 15.2731 15.2731 k = 0.5000 0.1141 0.4510 ( 1492 PWs) bands (ev): -31.0519 -31.0519 -15.8193 -15.8193 -15.6304 -15.6304 -12.2422 -12.2422 -11.7864 -11.7864 -11.5319 -11.5319 2.1690 2.1690 2.1743 2.1743 3.0692 3.0692 3.3566 3.3566 4.0222 4.0222 4.0372 4.0372 13.3848 13.3848 14.5424 14.5424 14.9785 14.9785 15.3009 15.3009 k = 0.5000 0.1208 0.4415 ( 1496 PWs) bands (ev): -31.0525 -31.0525 -15.8253 -15.8253 -15.6167 -15.6167 -12.2401 -12.2401 -11.7978 -11.7978 -11.5280 -11.5280 2.1828 2.1828 2.2023 2.2023 3.0488 3.0488 3.3632 3.3632 3.9889 3.9889 4.0252 4.0252 13.4094 13.4094 14.5279 14.5279 14.9733 14.9733 15.3290 15.3290 k = 0.5000 0.1276 0.4320 ( 1490 PWs) bands (ev): -31.0532 -31.0532 -15.8313 -15.8313 -15.6027 -15.6027 -12.2383 -12.2383 -11.8096 -11.8096 -11.5235 -11.5235 2.1964 2.1964 2.2327 2.2327 3.0283 3.0283 3.3697 3.3697 3.9543 3.9543 4.0123 4.0123 13.4360 13.4360 14.5131 14.5131 14.9679 14.9679 15.3575 15.3575 k = 0.5000 0.1343 0.4225 ( 1488 PWs) bands (ev): -31.0539 -31.0539 -15.8375 -15.8375 -15.5883 -15.5883 -12.2368 -12.2368 -11.8217 -11.8217 -11.5187 -11.5187 2.2107 2.2107 2.2643 2.2643 3.0078 3.0078 3.3760 3.3760 3.9186 3.9186 3.9984 3.9984 13.4644 13.4644 14.4982 14.4982 14.9622 14.9622 15.3861 15.3861 k = 0.5000 0.1410 0.4130 ( 1492 PWs) bands (ev): -31.0546 -31.0546 -15.8437 -15.8437 -15.5738 -15.5738 -12.2356 -12.2356 -11.8342 -11.8342 -11.5134 -11.5134 2.2259 2.2259 2.2968 2.2968 2.9876 2.9876 3.3821 3.3821 3.8821 3.8821 3.9834 3.9834 13.4946 13.4946 14.4833 14.4833 14.9564 14.9564 15.4146 15.4146 k = 0.5000 0.1477 0.4035 ( 1492 PWs) bands (ev): -31.0554 -31.0554 -15.8499 -15.8499 -15.5590 -15.5590 -12.2347 -12.2347 -11.8468 -11.8468 -11.5079 -11.5079 2.2420 2.2420 2.3301 2.3301 2.9678 2.9678 3.3878 3.3878 3.8451 3.8451 3.9673 3.9673 13.5268 13.5268 14.4684 14.4684 14.9504 14.9504 15.4429 15.4429 k = 0.5000 0.1544 0.3940 ( 1486 PWs) bands (ev): -31.0561 -31.0561 -15.8560 -15.8560 -15.5441 -15.5441 -12.2343 -12.2343 -11.8593 -11.8593 -11.5020 -11.5020 2.2589 2.2589 2.3641 2.3641 2.9485 2.9485 3.3930 3.3930 3.8078 3.8078 3.9500 3.9500 13.5609 13.5609 14.4536 14.4536 14.9444 14.9444 15.4709 15.4709 k = 0.5000 0.1611 0.3845 ( 1486 PWs) bands (ev): -31.0568 -31.0568 -15.8621 -15.8621 -15.5292 -15.5292 -12.2342 -12.2342 -11.8718 -11.8718 -11.4960 -11.4960 2.2768 2.2768 2.3986 2.3986 2.9299 2.9299 3.3975 3.3975 3.7704 3.7704 3.9316 3.9316 13.5968 13.5968 14.4389 14.4389 14.9382 14.9382 15.4983 15.4983 k = 0.5000 0.1678 0.3750 ( 1484 PWs) bands (ev): -31.0575 -31.0575 -15.8680 -15.8680 -15.5144 -15.5144 -12.2346 -12.2346 -11.8840 -11.8840 -11.4898 -11.4898 2.2956 2.2956 2.4334 2.4334 2.9122 2.9122 3.4008 3.4008 3.7333 3.7333 3.9121 3.9121 13.6343 13.6343 14.4244 14.4244 14.9321 14.9321 15.5249 15.5249 k = 0.5000 0.1745 0.3655 ( 1488 PWs) bands (ev): -31.0581 -31.0581 -15.8738 -15.8738 -15.4997 -15.4997 -12.2355 -12.2355 -11.8959 -11.8959 -11.4836 -11.4836 2.3153 2.3153 2.4682 2.4682 2.8955 2.8955 3.4027 3.4027 3.6971 3.6971 3.8915 3.8915 13.6735 13.6735 14.4102 14.4102 14.9260 14.9260 15.5506 15.5506 k = 0.5000 0.1813 0.3560 ( 1488 PWs) bands (ev): -31.0588 -31.0588 -15.8795 -15.8795 -15.4853 -15.4853 -12.2368 -12.2368 -11.9073 -11.9073 -11.4774 -11.4774 2.3359 2.3359 2.5028 2.5028 2.8803 2.8803 3.4026 3.4026 3.6624 3.6624 3.8700 3.8700 13.7142 13.7142 14.3963 14.3963 14.9201 14.9201 15.5753 15.5753 k = 0.5000 0.1880 0.3465 ( 1488 PWs) bands (ev): -31.0594 -31.0594 -15.8849 -15.8849 -15.4712 -15.4712 -12.2385 -12.2385 -11.9181 -11.9181 -11.4712 -11.4712 2.3573 2.3573 2.5366 2.5366 2.8668 2.8668 3.3995 3.3995 3.6302 3.6302 3.8474 3.8474 13.7562 13.7562 14.3828 14.3828 14.9142 14.9142 15.5987 15.5987 k = 0.5000 0.1947 0.3370 ( 1480 PWs) bands (ev): -31.0601 -31.0601 -15.8902 -15.8902 -15.4574 -15.4574 -12.2406 -12.2406 -11.9283 -11.9283 -11.4651 -11.4651 2.3796 2.3796 2.5692 2.5692 2.8557 2.8557 3.3924 3.3924 3.6017 3.6017 3.8241 3.8241 13.7995 13.7995 14.3699 14.3699 14.9087 14.9087 15.6207 15.6207 k = 0.5000 0.2014 0.3275 ( 1486 PWs) bands (ev): -31.0607 -31.0607 -15.8951 -15.8951 -15.4442 -15.4442 -12.2432 -12.2432 -11.9379 -11.9379 -11.4592 -11.4592 2.4025 2.4025 2.5995 2.5995 2.8476 2.8476 3.3802 3.3802 3.5781 3.5781 3.8000 3.8000 13.8436 13.8436 14.3574 14.3574 14.9031 14.9031 15.6409 15.6409 k = 0.5000 0.2081 0.3181 ( 1484 PWs) bands (ev): -31.0612 -31.0612 -15.8999 -15.8999 -15.4315 -15.4315 -12.2460 -12.2460 -11.9467 -11.9467 -11.4535 -11.4535 2.4262 2.4262 2.6264 2.6264 2.8439 2.8439 3.3622 3.3622 3.5602 3.5602 3.7752 3.7752 13.8884 13.8884 14.3456 14.3456 14.8980 14.8980 15.6593 15.6593 k = 0.5000 0.2148 0.3086 ( 1484 PWs) bands (ev): -31.0617 -31.0617 -15.9043 -15.9043 -15.4195 -15.4195 -12.2491 -12.2491 -11.9547 -11.9547 -11.4480 -11.4480 2.4504 2.4504 2.6484 2.6484 2.8457 2.8457 3.3388 3.3388 3.5477 3.5477 3.7500 3.7500 13.9335 13.9335 14.3345 14.3345 14.8931 14.8931 15.6755 15.6755 k = 0.5000 0.2215 0.2991 ( 1484 PWs) bands (ev): -31.0622 -31.0622 -15.9084 -15.9084 -15.4082 -15.4082 -12.2524 -12.2524 -11.9620 -11.9620 -11.4429 -11.4429 2.4751 2.4751 2.6643 2.6643 2.8541 2.8541 3.3111 3.3111 3.5397 3.5397 3.7245 3.7245 13.9785 13.9785 14.3241 14.3241 14.8886 14.8886 15.6893 15.6893 k = 0.5000 0.2283 0.2896 ( 1488 PWs) bands (ev): -31.0627 -31.0627 -15.9122 -15.9122 -15.3978 -15.3978 -12.2559 -12.2559 -11.9685 -11.9685 -11.4381 -11.4381 2.5001 2.5001 2.6739 2.6739 2.8691 2.8691 3.2807 3.2807 3.5348 3.5348 3.6989 3.6989 14.0228 14.0228 14.3144 14.3144 14.8844 14.8844 15.7004 15.7004 k = 0.5000 0.2350 0.2801 ( 1482 PWs) bands (ev): -31.0631 -31.0631 -15.9156 -15.9156 -15.3882 -15.3882 -12.2592 -12.2592 -11.9741 -11.9741 -11.4336 -11.4336 2.5251 2.5251 2.6784 2.6784 2.8893 2.8893 3.2490 3.2490 3.5319 3.5319 3.6738 3.6738 14.0660 14.0660 14.3057 14.3057 14.8806 14.8806 15.7086 15.7086 k = 0.5000 0.2417 0.2706 ( 1480 PWs) bands (ev): -31.0635 -31.0635 -15.9186 -15.9186 -15.3795 -15.3795 -12.2625 -12.2625 -11.9790 -11.9790 -11.4297 -11.4297 2.5498 2.5498 2.6796 2.6796 2.9126 2.9126 3.2170 3.2170 3.5301 3.5301 3.6494 3.6494 14.1073 14.1073 14.2979 14.2979 14.8772 14.8772 15.7137 15.7137 k = 0.5000 0.2484 0.2611 ( 1480 PWs) bands (ev): -31.0638 -31.0638 -15.9213 -15.9213 -15.3719 -15.3719 -12.2656 -12.2656 -11.9832 -11.9832 -11.4262 -11.4262 2.5736 2.5736 2.6788 2.6788 2.9372 2.9372 3.1858 3.1858 3.5287 3.5287 3.6264 3.6264 14.1460 14.1460 14.2910 14.2910 14.8742 14.8742 15.7155 15.7155 k = 0.5000 0.2551 0.2516 ( 1480 PWs) bands (ev): -31.0641 -31.0641 -15.9236 -15.9236 -15.3653 -15.3653 -12.2684 -12.2684 -11.9867 -11.9867 -11.4231 -11.4231 2.5960 2.5960 2.6775 2.6775 2.9613 2.9613 3.1562 3.1562 3.5271 3.5271 3.6056 3.6056 14.1811 14.1811 14.2851 14.2851 14.8717 14.8717 15.7145 15.7145 k = 0.5000 0.2618 0.2421 ( 1482 PWs) bands (ev): -31.0643 -31.0643 -15.9255 -15.9255 -15.3599 -15.3599 -12.2708 -12.2708 -11.9895 -11.9895 -11.4206 -11.4206 2.6158 2.6158 2.6766 2.6766 2.9836 2.9836 3.1293 3.1293 3.5247 3.5247 3.5880 3.5880 14.2116 14.2116 14.2802 14.2802 14.8695 14.8695 15.7111 15.7111 k = 0.5000 0.2685 0.2326 ( 1480 PWs) bands (ev): -31.0645 -31.0645 -15.9269 -15.9269 -15.3556 -15.3556 -12.2728 -12.2728 -11.9917 -11.9917 -11.4186 -11.4186 2.6317 2.6317 2.6771 2.6771 3.0028 3.0028 3.1063 3.1063 3.5211 3.5211 3.5747 3.5747 14.2367 14.2367 14.2765 14.2765 14.8679 14.8679 15.7064 15.7064 k = 0.5000 0.2752 0.2231 ( 1476 PWs) bands (ev): -31.0646 -31.0646 -15.9280 -15.9280 -15.3526 -15.3526 -12.2742 -12.2742 -11.9932 -11.9932 -11.4172 -11.4172 2.6422 2.6422 2.6794 2.6794 3.0178 3.0178 3.0883 3.0883 3.5168 3.5168 3.5661 3.5661 14.2553 14.2553 14.2739 14.2739 14.8667 14.8667 15.7017 15.7017 k = 0.5000 0.2820 0.2136 ( 1476 PWs) bands (ev): -31.0647 -31.0647 -15.9286 -15.9286 -15.3507 -15.3507 -12.2751 -12.2751 -11.9941 -11.9941 -11.4163 -11.4163 2.6474 2.6474 2.6826 2.6826 3.0275 3.0275 3.0766 3.0766 3.5131 3.5131 3.5616 3.5616 14.2660 14.2660 14.2732 14.2732 14.8660 14.8660 15.6983 15.6983 k = 0.5000 0.2887 0.2041 ( 1476 PWs) bands (ev): -31.0647 -31.0647 -15.9288 -15.9288 -15.3501 -15.3501 -12.2754 -12.2754 -11.9944 -11.9944 -11.4160 -11.4160 2.6488 2.6488 2.6840 2.6840 3.0308 3.0308 3.0725 3.0725 3.5117 3.5117 3.5603 3.5603 14.2685 14.2685 14.2741 14.2741 14.8657 14.8657 15.6970 15.6970 k = 0.5000 0.2887 0.2041 ( 1476 PWs) bands (ev): -31.0647 -31.0647 -15.9288 -15.9288 -15.3501 -15.3501 -12.2754 -12.2754 -11.9944 -11.9944 -11.4160 -11.4160 2.6488 2.6488 2.6840 2.6840 3.0308 3.0308 3.0725 3.0725 3.5117 3.5117 3.5603 3.5603 14.2685 14.2685 14.2741 14.2741 14.8657 14.8657 15.6970 15.6970 k = 0.4966 0.2867 0.2152 ( 1476 PWs) bands (ev): -31.0647 -31.0647 -15.9286 -15.9286 -15.3507 -15.3507 -12.2751 -12.2751 -11.9941 -11.9941 -11.4163 -11.4163 2.6474 2.6474 2.6826 2.6826 3.0274 3.0274 3.0766 3.0766 3.5131 3.5131 3.5617 3.5617 14.2660 14.2660 14.2732 14.2732 14.8660 14.8660 15.6983 15.6983 k = 0.4932 0.2848 0.2262 ( 1476 PWs) bands (ev): -31.0646 -31.0646 -15.9280 -15.9280 -15.3526 -15.3526 -12.2742 -12.2742 -11.9931 -11.9931 -11.4172 -11.4172 2.6421 2.6421 2.6794 2.6794 3.0176 3.0176 3.0885 3.0885 3.5168 3.5168 3.5662 3.5662 14.2551 14.2551 14.2740 14.2740 14.8667 14.8667 15.7018 15.7018 k = 0.4899 0.2828 0.2372 ( 1480 PWs) bands (ev): -31.0645 -31.0645 -15.9269 -15.9269 -15.3557 -15.3557 -12.2727 -12.2727 -11.9916 -11.9916 -11.4187 -11.4187 2.6313 2.6313 2.6772 2.6772 3.0024 3.0024 3.1068 3.1068 3.5211 3.5211 3.5750 3.5750 14.2363 14.2363 14.2765 14.2765 14.8679 14.8679 15.7065 15.7065 k = 0.4865 0.2809 0.2483 ( 1482 PWs) bands (ev): -31.0643 -31.0643 -15.9254 -15.9254 -15.3600 -15.3600 -12.2708 -12.2708 -11.9895 -11.9895 -11.4207 -11.4207 2.6150 2.6150 2.6772 2.6772 2.9826 2.9826 3.1303 3.1303 3.5246 3.5246 3.5885 3.5885 14.2109 14.2109 14.2803 14.2803 14.8696 14.8696 15.7112 15.7112 k = 0.4831 0.2789 0.2593 ( 1482 PWs) bands (ev): -31.0641 -31.0641 -15.9235 -15.9235 -15.3655 -15.3655 -12.2683 -12.2683 -11.9866 -11.9866 -11.4232 -11.4232 2.5944 2.5944 2.6790 2.6790 2.9593 2.9593 3.1580 3.1580 3.5266 3.5266 3.6065 3.6065 14.1799 14.1799 14.2853 14.2853 14.8717 14.8717 15.7146 15.7146 k = 0.4797 0.2770 0.2703 ( 1480 PWs) bands (ev): -31.0638 -31.0638 -15.9212 -15.9212 -15.3722 -15.3722 -12.2655 -12.2655 -11.9831 -11.9831 -11.4263 -11.4263 2.5710 2.5710 2.6822 2.6822 2.9334 2.9334 3.1888 3.1888 3.5276 3.5276 3.6279 3.6279 14.1444 14.1444 14.2914 14.2914 14.8743 14.8743 15.7156 15.7156 k = 0.4764 0.2750 0.2814 ( 1482 PWs) bands (ev): -31.0635 -31.0635 -15.9185 -15.9185 -15.3799 -15.3799 -12.2624 -12.2624 -11.9789 -11.9789 -11.4298 -11.4298 2.5456 2.5456 2.6864 2.6864 2.9055 2.9055 3.2220 3.2220 3.5278 3.5278 3.6516 3.6516 14.1052 14.1052 14.2985 14.2985 14.8773 14.8773 15.7136 15.7136 k = 0.4730 0.2731 0.2924 ( 1484 PWs) bands (ev): -31.0631 -31.0631 -15.9154 -15.9154 -15.3886 -15.3886 -12.2591 -12.2591 -11.9739 -11.9739 -11.4339 -11.4339 2.5188 2.5188 2.6914 2.6914 2.8765 2.8765 3.2570 3.2570 3.5275 3.5275 3.6769 3.6769 14.0633 14.0633 14.3067 14.3067 14.8808 14.8808 15.7084 15.7084 k = 0.4696 0.2711 0.3034 ( 1488 PWs) bands (ev): -31.0627 -31.0627 -15.9120 -15.9120 -15.3983 -15.3983 -12.2556 -12.2556 -11.9683 -11.9683 -11.4383 -11.4383 2.4911 2.4911 2.6970 2.6970 2.8469 2.8469 3.2932 3.2932 3.5268 3.5268 3.7032 3.7032 14.0194 14.0194 14.3159 14.3159 14.8845 14.8845 15.7002 15.7002 k = 0.4662 0.2692 0.3145 ( 1488 PWs) bands (ev): -31.0622 -31.0622 -15.9082 -15.9082 -15.4088 -15.4088 -12.2522 -12.2522 -11.9618 -11.9618 -11.4431 -11.4431 2.4627 2.4627 2.7031 2.7031 2.8173 2.8173 3.3303 3.3303 3.5261 3.5261 3.7300 3.7300 13.9743 13.9743 14.3261 14.3261 14.8887 14.8887 15.6891 15.6891 k = 0.4628 0.2672 0.3255 ( 1484 PWs) bands (ev): -31.0617 -31.0617 -15.9041 -15.9041 -15.4202 -15.4202 -12.2488 -12.2488 -11.9546 -11.9546 -11.4482 -11.4482 2.4337 2.4337 2.7094 2.7094 2.7885 2.7885 3.3678 3.3678 3.5253 3.5253 3.7572 3.7572 13.9285 13.9285 14.3371 14.3371 14.8932 14.8932 15.6755 15.6755 k = 0.4595 0.2653 0.3365 ( 1481 PWs) bands (ev): -31.0612 -31.0612 -15.8997 -15.8997 -15.4322 -15.4322 -12.2456 -12.2456 -11.9467 -11.9467 -11.4535 -11.4535 2.4041 2.4041 2.7147 2.7147 2.7617 2.7617 3.4055 3.4055 3.5247 3.5247 3.7844 3.7844 13.8825 13.8825 14.3491 14.3491 14.8980 14.8980 15.6597 15.6597 k = 0.4561 0.2633 0.3476 ( 1484 PWs) bands (ev): -31.0606 -31.0606 -15.8951 -15.8951 -15.4448 -15.4448 -12.2426 -12.2426 -11.9381 -11.9381 -11.4591 -11.4591 2.3739 2.3739 2.7138 2.7138 2.7425 2.7425 3.4429 3.4429 3.5245 3.5245 3.8116 3.8116 13.8366 13.8366 14.3620 14.3620 14.9029 14.9029 15.6419 15.6419 k = 0.4527 0.2614 0.3586 ( 1482 PWs) bands (ev): -31.0600 -31.0600 -15.8903 -15.8903 -15.4578 -15.4578 -12.2399 -12.2399 -11.9290 -11.9290 -11.4647 -11.4647 2.3432 2.3432 2.6969 2.6969 2.7410 2.7410 3.4786 3.4786 3.5258 3.5258 3.8385 3.8385 13.7912 13.7912 14.3757 14.3757 14.9080 14.9080 15.6225 15.6225 k = 0.4493 0.2594 0.3696 ( 1483 PWs) bands (ev): -31.0594 -31.0594 -15.8854 -15.8854 -15.4713 -15.4713 -12.2376 -12.2376 -11.9195 -11.9195 -11.4703 -11.4703 2.3120 2.3120 2.6740 2.6740 2.7471 2.7471 3.5065 3.5065 3.5346 3.5346 3.8652 3.8652 13.7466 13.7466 14.3900 14.3900 14.9131 14.9131 15.6018 15.6018 k = 0.4459 0.2575 0.3807 ( 1483 PWs) bands (ev): -31.0587 -31.0587 -15.8804 -15.8804 -15.4849 -15.4849 -12.2357 -12.2357 -11.9096 -11.9096 -11.4758 -11.4758 2.2803 2.2803 2.6515 2.6515 2.7547 2.7547 3.5153 3.5153 3.5621 3.5621 3.8917 3.8917 13.7029 13.7029 14.4052 14.4052 14.9180 14.9180 15.5803 15.5803 k = 0.4426 0.2555 0.3917 ( 1485 PWs) bands (ev): -31.0581 -31.0581 -15.8754 -15.8754 -15.4985 -15.4985 -12.2341 -12.2341 -11.8995 -11.8995 -11.4811 -11.4811 2.2482 2.2482 2.6304 2.6304 2.7628 2.7628 3.5173 3.5173 3.5959 3.5959 3.9179 3.9179 13.6604 13.6604 14.4209 14.4209 14.9228 14.9228 15.5581 15.5581 k = 0.4392 0.2536 0.4027 ( 1485 PWs) bands (ev): -31.0574 -31.0574 -15.8705 -15.8705 -15.5121 -15.5121 -12.2329 -12.2329 -11.8895 -11.8895 -11.4860 -11.4860 2.2156 2.2156 2.6109 2.6109 2.7710 2.7710 3.5185 3.5185 3.6297 3.6297 3.9438 3.9438 13.6191 13.6191 14.4373 14.4373 14.9272 14.9272 15.5358 15.5358 k = 0.4358 0.2516 0.4138 ( 1486 PWs) bands (ev): -31.0567 -31.0567 -15.8659 -15.8659 -15.5253 -15.5253 -12.2321 -12.2321 -11.8797 -11.8797 -11.4904 -11.4904 2.1828 2.1828 2.5934 2.5934 2.7791 2.7791 3.5197 3.5197 3.6626 3.6626 3.9695 3.9695 13.5792 13.5792 14.4542 14.4542 14.9309 14.9309 15.5135 15.5135 k = 0.4324 0.2497 0.4248 ( 1484 PWs) bands (ev): -31.0560 -31.0560 -15.8617 -15.8617 -15.5381 -15.5381 -12.2317 -12.2317 -11.8704 -11.8704 -11.4941 -11.4941 2.1498 2.1498 2.5777 2.5777 2.7870 2.7870 3.5213 3.5213 3.6941 3.6941 3.9950 3.9950 13.5409 13.5409 14.4716 14.4716 14.9340 14.9340 15.4918 15.4918 k = 0.4291 0.2477 0.4358 ( 1482 PWs) bands (ev): -31.0553 -31.0553 -15.8580 -15.8580 -15.5500 -15.5500 -12.2316 -12.2316 -11.8617 -11.8617 -11.4969 -11.4969 2.1167 2.1167 2.5640 2.5640 2.7945 2.7945 3.5235 3.5235 3.7240 3.7240 4.0204 4.0204 13.5040 13.5040 14.4894 14.4894 14.9359 14.9359 15.4711 15.4711 k = 0.4257 0.2458 0.4469 ( 1484 PWs) bands (ev): -31.0546 -31.0546 -15.8551 -15.8551 -15.5610 -15.5610 -12.2319 -12.2319 -11.8541 -11.8541 -11.4987 -11.4987 2.0837 2.0837 2.5520 2.5520 2.8014 2.8014 3.5264 3.5264 3.7520 3.7520 4.0455 4.0455 13.4686 13.4686 14.5075 14.5075 14.9366 14.9366 15.4517 15.4517 k = 0.4223 0.2438 0.4579 ( 1486 PWs) bands (ev): -31.0539 -31.0539 -15.8532 -15.8532 -15.5707 -15.5707 -12.2325 -12.2325 -11.8476 -11.8476 -11.4993 -11.4993 2.0510 2.0510 2.5418 2.5418 2.8078 2.8078 3.5300 3.5300 3.7781 3.7781 4.0704 4.0704 13.4349 13.4349 14.5259 14.5259 14.9356 14.9356 15.4342 15.4342 k = 0.4189 0.2419 0.4689 ( 1487 PWs) bands (ev): -31.0532 -31.0532 -15.8525 -15.8525 -15.5788 -15.5788 -12.2333 -12.2333 -11.8424 -11.8424 -11.4986 -11.4986 2.0187 2.0187 2.5333 2.5333 2.8135 2.8135 3.5345 3.5345 3.8021 3.8021 4.0950 4.0950 13.4029 13.4029 14.5444 14.5444 14.9329 14.9329 15.4189 15.4189 k = 0.4155 0.2399 0.4800 ( 1487 PWs) bands (ev): -31.0525 -31.0525 -15.8531 -15.8531 -15.5851 -15.5851 -12.2344 -12.2344 -11.8387 -11.8387 -11.4964 -11.4964 1.9869 1.9869 2.5264 2.5264 2.8183 2.8183 3.5400 3.5400 3.8241 3.8241 4.1193 4.1193 13.3724 13.3724 14.5631 14.5631 14.9281 14.9281 15.4063 15.4063 k = 0.4122 0.2380 0.4910 ( 1491 PWs) bands (ev): -31.0519 -31.0519 -15.8554 -15.8554 -15.5895 -15.5895 -12.2358 -12.2358 -11.8367 -11.8367 -11.4929 -11.4929 1.9558 1.9558 2.5209 2.5209 2.8222 2.8222 3.5463 3.5463 3.8440 3.8440 4.1430 4.1430 13.3436 13.3436 14.5817 14.5817 14.9212 14.9212 15.3965 15.3965 k = 0.4088 0.2360 0.5020 ( 1486 PWs) bands (ev): -31.0512 -31.0512 -15.8591 -15.8591 -15.5917 -15.5917 -12.2373 -12.2373 -11.8362 -11.8362 -11.4879 -11.4879 1.9256 1.9256 2.5168 2.5168 2.8252 2.8252 3.5537 3.5537 3.8620 3.8620 4.1661 4.1661 13.3165 13.3165 14.6004 14.6004 14.9123 14.9123 15.3897 15.3897 k = 0.4054 0.2341 0.5131 ( 1490 PWs) bands (ev): -31.0506 -31.0506 -15.8646 -15.8646 -15.5918 -15.5918 -12.2391 -12.2391 -11.8373 -11.8373 -11.4817 -11.4817 1.8962 1.8962 2.5140 2.5140 2.8272 2.8272 3.5621 3.5621 3.8780 3.8780 4.1884 4.1884 13.2909 13.2909 14.6189 14.6189 14.9015 14.9015 15.3858 15.3858 k = 0.4020 0.2321 0.5241 ( 1492 PWs) bands (ev): -31.0500 -31.0500 -15.8714 -15.8714 -15.5898 -15.5898 -12.2410 -12.2410 -11.8399 -11.8399 -11.4743 -11.4743 1.8680 1.8680 2.5124 2.5124 2.8281 2.8281 3.5715 3.5715 3.8923 3.8923 4.2097 4.2097 13.2669 13.2669 14.6372 14.6372 14.8889 14.8889 15.3849 15.3849 k = 0.3986 0.2302 0.5351 ( 1492 PWs) bands (ev): -31.0495 -31.0495 -15.8796 -15.8796 -15.5858 -15.5858 -12.2430 -12.2430 -11.8437 -11.8437 -11.4659 -11.4659 1.8410 1.8410 2.5118 2.5118 2.8279 2.8279 3.5819 3.5819 3.9049 3.9049 4.2297 4.2297 13.2444 13.2444 14.6553 14.6553 14.8751 14.8751 15.3867 15.3867 k = 0.3953 0.2282 0.5462 ( 1496 PWs) bands (ev): -31.0490 -31.0490 -15.8889 -15.8889 -15.5802 -15.5802 -12.2452 -12.2452 -11.8488 -11.8488 -11.4568 -11.4568 1.8152 1.8152 2.5121 2.5121 2.8266 2.8266 3.5934 3.5934 3.9160 3.9160 4.2484 4.2484 13.2234 13.2234 14.6729 14.6729 14.8605 14.8605 15.3909 15.3909 k = 0.3919 0.2263 0.5572 ( 1494 PWs) bands (ev): -31.0485 -31.0485 -15.8991 -15.8991 -15.5729 -15.5729 -12.2475 -12.2475 -11.8549 -11.8549 -11.4471 -11.4471 1.7909 1.7909 2.5133 2.5133 2.8242 2.8242 3.6057 3.6057 3.9258 3.9258 4.2655 4.2655 13.2040 13.2040 14.6902 14.6902 14.8453 14.8453 15.3974 15.3974 k = 0.3885 0.2243 0.5682 ( 1490 PWs) bands (ev): -31.0481 -31.0481 -15.9098 -15.9098 -15.5643 -15.5643 -12.2498 -12.2498 -11.8618 -11.8618 -11.4370 -11.4370 1.7681 1.7681 2.5152 2.5152 2.8207 2.8207 3.6190 3.6190 3.9342 3.9342 4.2809 4.2809 13.1860 13.1860 14.7069 14.7069 14.8302 14.8302 15.4056 15.4056 k = 0.3851 0.2224 0.5793 ( 1488 PWs) bands (ev): -31.0477 -31.0477 -15.9211 -15.9211 -15.5545 -15.5545 -12.2523 -12.2523 -11.8693 -11.8693 -11.4267 -11.4267 1.7469 1.7469 2.5176 2.5176 2.8162 2.8162 3.6331 3.6331 3.9416 3.9416 4.2944 4.2944 13.1695 13.1695 14.7229 14.7229 14.8156 14.8156 15.4154 15.4154 k = 0.3818 0.2204 0.5903 ( 1490 PWs) bands (ev): -31.0474 -31.0474 -15.9325 -15.9325 -15.5437 -15.5437 -12.2548 -12.2548 -11.8775 -11.8775 -11.4165 -11.4165 1.7274 1.7274 2.5205 2.5205 2.8106 2.8106 3.6480 3.6480 3.9480 3.9480 4.3058 4.3058 13.1543 13.1543 14.7381 14.7381 14.8018 14.8018 15.4265 15.4265 k = 0.3784 0.2185 0.6013 ( 1486 PWs) bands (ev): -31.0471 -31.0471 -15.9441 -15.9441 -15.5321 -15.5321 -12.2573 -12.2573 -11.8860 -11.8860 -11.4063 -11.4063 1.7097 1.7097 2.5238 2.5238 2.8041 2.8041 3.6635 3.6635 3.9536 3.9536 4.3151 4.3151 13.1406 13.1406 14.7521 14.7521 14.7896 14.7896 15.4388 15.4388 k = 0.3750 0.2165 0.6124 ( 1480 PWs) bands (ev): -31.0469 -31.0469 -15.9556 -15.9556 -15.5196 -15.5196 -12.2599 -12.2599 -11.8948 -11.8948 -11.3964 -11.3964 1.6939 1.6939 2.5273 2.5273 2.7966 2.7966 3.6797 3.6797 3.9585 3.9585 4.3222 4.3222 13.1282 13.1282 14.7629 14.7629 14.7812 14.7812 15.4519 15.4519 k = 0.6250-0.0722 0.4082 ( 1480 PWs) bands (ev): -31.0469 -31.0469 -15.9556 -15.9556 -15.5196 -15.5196 -12.2599 -12.2599 -11.8948 -11.8948 -11.3964 -11.3964 1.6939 1.6939 2.5273 2.5273 2.7966 2.7966 3.6797 3.6797 3.9585 3.9585 4.3222 4.3222 13.1282 13.1282 14.7629 14.7629 14.7812 14.7812 15.4519 15.4519 k = 0.6193-0.0820 0.4082 ( 1480 PWs) bands (ev): -31.0467 -31.0467 -15.9744 -15.9744 -15.4982 -15.4982 -12.2645 -12.2645 -11.9098 -11.9098 -11.3803 -11.3803 1.6690 1.6690 2.5336 2.5336 2.7836 2.7836 3.7068 3.7068 3.9657 3.9657 4.3320 4.3320 13.1084 13.1084 14.7559 14.7559 14.7926 14.7926 15.4756 15.4756 k = 0.6136-0.0919 0.4082 ( 1488 PWs) bands (ev): -31.0464 -31.0464 -15.9927 -15.9927 -15.4768 -15.4768 -12.2693 -12.2693 -11.9249 -11.9249 -11.3646 -11.3646 1.6445 1.6445 2.5404 2.5404 2.7712 2.7712 3.7330 3.7330 3.9720 3.9720 4.3417 4.3417 13.0888 13.0888 14.7393 14.7393 14.8139 14.8139 15.5010 15.5010 k = 0.6080-0.1017 0.4082 ( 1488 PWs) bands (ev): -31.0462 -31.0462 -16.0101 -16.0101 -15.4556 -15.4556 -12.2742 -12.2742 -11.9398 -11.9398 -11.3493 -11.3493 1.6206 1.6206 2.5476 2.5476 2.7594 2.7594 3.7581 3.7581 3.9775 3.9775 4.3511 4.3511 13.0694 13.0694 14.7226 14.7226 14.8355 14.8355 15.5282 15.5282 k = 0.6023-0.1115 0.4082 ( 1490 PWs) bands (ev): -31.0460 -31.0460 -16.0268 -16.0268 -15.4347 -15.4347 -12.2794 -12.2794 -11.9544 -11.9544 -11.3345 -11.3345 1.5975 1.5975 2.5551 2.5551 2.7483 2.7483 3.7823 3.7823 3.9823 3.9823 4.3601 4.3601 13.0504 13.0504 14.7066 14.7066 14.8568 14.8568 15.5567 15.5567 k = 0.5966-0.1214 0.4082 ( 1496 PWs) bands (ev): -31.0459 -31.0459 -16.0427 -16.0427 -15.4140 -15.4140 -12.2848 -12.2848 -11.9688 -11.9688 -11.3202 -11.3202 1.5751 1.5751 2.5627 2.5627 2.7378 2.7378 3.8053 3.8053 3.9866 3.9866 4.3687 4.3687 13.0317 13.0317 14.6912 14.6912 14.8776 14.8776 15.5865 15.5865 k = 0.5909-0.1312 0.4082 ( 1492 PWs) bands (ev): -31.0458 -31.0458 -16.0578 -16.0578 -15.3938 -15.3938 -12.2904 -12.2904 -11.9825 -11.9825 -11.3064 -11.3064 1.5535 1.5535 2.5705 2.5705 2.7279 2.7279 3.8272 3.8272 3.9904 3.9904 4.3768 4.3768 13.0134 13.0134 14.6766 14.6766 14.8979 14.8979 15.6176 15.6176 k = 0.5852-0.1411 0.4082 ( 1492 PWs) bands (ev): -31.0457 -31.0457 -16.0720 -16.0720 -15.3742 -15.3742 -12.2961 -12.2961 -11.9958 -11.9958 -11.2932 -11.2932 1.5329 1.5329 2.5783 2.5783 2.7186 2.7186 3.8479 3.8479 3.9938 3.9938 4.3844 4.3844 12.9957 12.9957 14.6629 14.6629 14.9174 14.9174 15.6496 15.6496 k = 0.5795-0.1509 0.4082 ( 1494 PWs) bands (ev): -31.0456 -31.0456 -16.0855 -16.0855 -15.3552 -15.3552 -12.3020 -12.3020 -12.0084 -12.0084 -11.2808 -11.2808 1.5133 1.5133 2.5860 2.5860 2.7100 2.7100 3.8673 3.8673 3.9969 3.9969 4.3915 4.3915 12.9785 12.9785 14.6500 14.6500 14.9360 14.9360 15.6823 15.6823 k = 0.5739-0.1607 0.4082 ( 1494 PWs) bands (ev): -31.0455 -31.0455 -16.0981 -16.0981 -15.3369 -15.3369 -12.3080 -12.3080 -12.0202 -12.0202 -11.2690 -11.2690 1.4947 1.4947 2.5936 2.5936 2.7020 2.7020 3.8855 3.8855 3.9998 3.9998 4.3980 4.3980 12.9621 12.9621 14.6380 14.6380 14.9539 14.9539 15.7154 15.7154 k = 0.5682-0.1706 0.4082 ( 1496 PWs) bands (ev): -31.0454 -31.0454 -16.1098 -16.1098 -15.3194 -15.3194 -12.3140 -12.3140 -12.0313 -12.0313 -11.2579 -11.2579 1.4773 1.4773 2.6009 2.6009 2.6947 2.6947 3.9023 3.9023 4.0025 4.0025 4.4040 4.4040 12.9464 12.9464 14.6269 14.6269 14.9708 14.9708 15.7484 15.7484 k = 0.5625-0.1804 0.4082 ( 1486 PWs) bands (ev): -31.0454 -31.0454 -16.1206 -16.1206 -15.3029 -15.3029 -12.3200 -12.3200 -12.0414 -12.0414 -11.2475 -11.2475 1.4611 1.4611 2.6079 2.6079 2.6880 2.6880 3.9176 3.9176 4.0052 4.0052 4.4095 4.4095 12.9316 12.9316 14.6168 14.6168 14.9868 14.9868 15.7814 15.7814 k = 0.5568-0.1903 0.4082 ( 1486 PWs) bands (ev): -31.0454 -31.0454 -16.1305 -16.1305 -15.2874 -15.2874 -12.3259 -12.3259 -12.0507 -12.0507 -11.2380 -11.2380 1.4461 1.4461 2.6146 2.6146 2.6819 2.6819 3.9316 3.9316 4.0077 4.0077 4.4144 4.4144 12.9177 12.9177 14.6076 14.6076 15.0016 15.0016 15.8135 15.8135 k = 0.5511-0.2001 0.4082 ( 1486 PWs) bands (ev): -31.0453 -31.0453 -16.1395 -16.1395 -15.2731 -15.2731 -12.3317 -12.3317 -12.0591 -12.0591 -11.2294 -11.2294 1.4323 1.4323 2.6207 2.6207 2.6765 2.6765 3.9439 3.9439 4.0102 4.0102 4.4187 4.4187 12.9049 12.9049 14.5992 14.5992 15.0152 15.0152 15.8445 15.8445 k = 0.5455-0.2099 0.4082 ( 1484 PWs) bands (ev): -31.0453 -31.0453 -16.1476 -16.1476 -15.2599 -15.2599 -12.3372 -12.3372 -12.0666 -12.0666 -11.2215 -11.2215 1.4199 1.4199 2.6262 2.6262 2.6717 2.6717 3.9547 3.9547 4.0129 4.0129 4.4226 4.4226 12.8931 12.8931 14.5918 14.5918 15.0276 15.0276 15.8741 15.8741 k = 0.5398-0.2198 0.4082 ( 1488 PWs) bands (ev): -31.0453 -31.0453 -16.1548 -16.1548 -15.2482 -15.2482 -12.3424 -12.3424 -12.0732 -12.0732 -11.2146 -11.2146 1.4089 1.4089 2.6311 2.6311 2.6677 2.6677 3.9638 3.9638 4.0156 4.0156 4.4259 4.4259 12.8826 12.8826 14.5852 14.5852 15.0386 15.0386 15.9015 15.9015 k = 0.5341-0.2296 0.4082 ( 1488 PWs) bands (ev): -31.0453 -31.0453 -16.1611 -16.1611 -15.2377 -15.2377 -12.3471 -12.3471 -12.0788 -12.0788 -11.2085 -11.2085 1.3993 1.3993 2.6352 2.6352 2.6644 2.6644 3.9713 3.9713 4.0184 4.0184 4.4288 4.4288 12.8732 12.8732 14.5795 14.5795 15.0483 15.0483 15.9265 15.9265 k = 0.5284-0.2395 0.4082 ( 1488 PWs) bands (ev): -31.0453 -31.0453 -16.1663 -16.1663 -15.2288 -15.2288 -12.3512 -12.3512 -12.0835 -12.0835 -11.2033 -11.2033 1.3911 1.3911 2.6385 2.6385 2.6619 2.6619 3.9772 3.9772 4.0212 4.0212 4.4312 4.4312 12.8653 12.8653 14.5747 14.5747 15.0566 15.0566 15.9485 15.9485 k = 0.5227-0.2493 0.4082 ( 1492 PWs) bands (ev): -31.0453 -31.0453 -16.1707 -16.1707 -15.2214 -15.2214 -12.3548 -12.3548 -12.0874 -12.0874 -11.1991 -11.1991 1.3843 1.3843 2.6408 2.6408 2.6603 2.6603 3.9816 3.9816 4.0238 4.0238 4.4331 4.4331 12.8586 12.8586 14.5708 14.5708 15.0634 15.0634 15.9670 15.9670 k = 0.5170-0.2592 0.4082 ( 1500 PWs) bands (ev): -31.0453 -31.0453 -16.1741 -16.1741 -15.2156 -15.2156 -12.3576 -12.3576 -12.0904 -12.0904 -11.1958 -11.1958 1.3790 1.3790 2.6422 2.6422 2.6595 2.6595 3.9848 3.9848 4.0261 4.0261 4.4346 4.4346 12.8534 12.8534 14.5677 14.5677 15.0687 15.0687 15.9812 15.9812 k = 0.5114-0.2690 0.4082 ( 1500 PWs) bands (ev): -31.0453 -31.0453 -16.1765 -16.1765 -15.2114 -15.2114 -12.3597 -12.3597 -12.0926 -12.0926 -11.1934 -11.1934 1.3753 1.3753 2.6429 2.6429 2.6592 2.6592 3.9869 3.9869 4.0279 4.0279 4.4356 4.4356 12.8497 12.8497 14.5655 14.5655 15.0726 15.0726 15.9906 15.9906 k = 0.5057-0.2788 0.4082 ( 1500 PWs) bands (ev): -31.0453 -31.0453 -16.1779 -16.1779 -15.2089 -15.2089 -12.3610 -12.3610 -12.0938 -12.0938 -11.1919 -11.1919 1.3730 1.3730 2.6431 2.6431 2.6592 2.6592 3.9881 3.9881 4.0291 4.0291 4.4362 4.4362 12.8475 12.8475 14.5642 14.5642 15.0749 15.0749 15.9952 15.9952 k = 0.5000-0.2887 0.4082 ( 1524 PWs) bands (ev): -31.0453 -31.0453 -16.1785 -16.1785 -15.2081 -15.2081 -12.3615 -12.3615 -12.0944 -12.0944 -11.1916 -11.1916 1.3722 1.3722 2.6431 2.6431 2.6592 2.6592 3.9885 3.9885 4.0295 4.0295 4.4363 4.4363 12.8466 12.8466 14.5637 14.5637 15.0753 15.0753 15.9962 15.9962 Writing output data file CaF2.save init_run : 0.25s CPU 0.78s WALL ( 1 calls) electrons : 55.97s CPU 58.36s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.19s WALL ( 1 calls) potinit : 0.01s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 55.97s CPU 58.35s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.03s WALL ( 399 calls) cegterg : 52.40s CPU 53.50s WALL ( 415 calls) Called by sum_band: Called by *egterg: h_psi : 20.65s CPU 21.48s WALL ( 7514 calls) s_psi : 0.80s CPU 0.89s WALL ( 7514 calls) g_psi : 0.07s CPU 0.07s WALL ( 6700 calls) cdiaghg : 28.68s CPU 28.93s WALL ( 7099 calls) cegterg:over : 1.81s CPU 1.88s WALL ( 6700 calls) cegterg:upda : 1.21s CPU 1.24s WALL ( 6700 calls) cegterg:last : 0.74s CPU 0.71s WALL ( 1416 calls) cdiaghg:chol : 1.36s CPU 1.41s WALL ( 7099 calls) cdiaghg:inve : 0.67s CPU 0.82s WALL ( 7099 calls) cdiaghg:para : 1.52s CPU 1.58s WALL ( 14198 calls) Called by h_psi: h_psi:vloc : 18.45s CPU 19.23s WALL ( 7514 calls) h_psi:vnl : 2.18s CPU 2.21s WALL ( 7514 calls) add_vuspsi : 1.17s CPU 1.17s WALL ( 7514 calls) General routines calbec : 0.99s CPU 1.02s WALL ( 7514 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 16.99s CPU 17.70s WALL ( 565132 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.07s CPU 0.09s WALL ( 798 calls) Parallel routines fft_scatter : 10.46s CPU 10.98s WALL ( 565155 calls) PWSCF : 1m 5.18s CPU 1m31.36s WALL This run was terminated on: 16:39:53 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=