Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 8:40 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./YP.save/ file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 28 17 5 597 271 45 Max 29 18 6 600 284 48 Sum 1027 613 187 21547 10081 1687 bravais-lattice index = 14 lattice parameter (alat) = 7.5644 a.u. unit-cell volume = 306.0666 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 16.00 number of Kohn-Sham states= 24 kinetic-energy cutoff = 39.0000 Ry charge density cutoff = 258.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.564444 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 P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Y read from file: /users/gautes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1223 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 P 5.00 30.97380 P( 1.00) Y 11.00 88.90590 Y( 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= 370 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 2) = ( 0.0089286 -0.0051549 0.0072901), wk = 0.0027027 k( 3) = ( 0.0178571 -0.0103098 0.0145803), wk = 0.0027027 k( 4) = ( 0.0267857 -0.0154647 0.0218704), wk = 0.0027027 k( 5) = ( 0.0357143 -0.0206197 0.0291606), wk = 0.0027027 k( 6) = ( 0.0446429 -0.0257746 0.0364507), wk = 0.0027027 k( 7) = ( 0.0535714 -0.0309295 0.0437409), wk = 0.0027027 k( 8) = ( 0.0625000 -0.0360844 0.0510310), wk = 0.0027027 k( 9) = ( 0.0714286 -0.0412393 0.0583212), wk = 0.0027027 k( 10) = ( 0.0803571 -0.0463942 0.0656113), wk = 0.0027027 k( 11) = ( 0.0892857 -0.0515491 0.0729015), wk = 0.0027027 k( 12) = ( 0.0982143 -0.0567040 0.0801916), wk = 0.0027027 k( 13) = ( 0.1071429 -0.0618590 0.0874818), wk = 0.0027027 k( 14) = ( 0.1160714 -0.0670139 0.0947719), wk = 0.0027027 k( 15) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0027027 k( 16) = ( 0.1339286 -0.0773237 0.1093522), wk = 0.0027027 k( 17) = ( 0.1428571 -0.0824786 0.1166424), wk = 0.0027027 k( 18) = ( 0.1517857 -0.0876335 0.1239325), wk = 0.0027027 k( 19) = ( 0.1607143 -0.0927884 0.1312227), wk = 0.0027027 k( 20) = ( 0.1696429 -0.0979434 0.1385128), wk = 0.0027027 k( 21) = ( 0.1785714 -0.1030983 0.1458030), wk = 0.0027027 k( 22) = ( 0.1875000 -0.1082532 0.1530931), wk = 0.0027027 k( 23) = ( 0.1964286 -0.1134081 0.1603833), wk = 0.0027027 k( 24) = ( 0.2053571 -0.1185630 0.1676734), wk = 0.0027027 k( 25) = ( 0.2142857 -0.1237179 0.1749635), wk = 0.0027027 k( 26) = ( 0.2232143 -0.1288728 0.1822537), wk = 0.0027027 k( 27) = ( 0.2321429 -0.1340277 0.1895439), wk = 0.0027027 k( 28) = ( 0.2410714 -0.1391827 0.1968340), wk = 0.0027027 k( 29) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0027027 k( 30) = ( 0.2589286 -0.1494925 0.2114143), wk = 0.0027027 k( 31) = ( 0.2678571 -0.1546474 0.2187044), wk = 0.0027027 k( 32) = ( 0.2767857 -0.1598023 0.2259946), wk = 0.0027027 k( 33) = ( 0.2857143 -0.1649572 0.2332847), wk = 0.0027027 k( 34) = ( 0.2946429 -0.1701121 0.2405749), wk = 0.0027027 k( 35) = ( 0.3035714 -0.1752670 0.2478650), wk = 0.0027027 k( 36) = ( 0.3125000 -0.1804220 0.2551552), wk = 0.0027027 k( 37) = ( 0.3214286 -0.1855769 0.2624453), wk = 0.0027027 k( 38) = ( 0.3303571 -0.1907318 0.2697355), wk = 0.0027027 k( 39) = ( 0.3392857 -0.1958867 0.2770256), wk = 0.0027027 k( 40) = ( 0.3482143 -0.2010416 0.2843158), wk = 0.0027027 k( 41) = ( 0.3571429 -0.2061965 0.2916059), wk = 0.0027027 k( 42) = ( 0.3660714 -0.2113514 0.2988961), wk = 0.0027027 k( 43) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0027027 k( 44) = ( 0.3839286 -0.2216613 0.3134764), wk = 0.0027027 k( 45) = ( 0.3928571 -0.2268162 0.3207665), wk = 0.0027027 k( 46) = ( 0.4017857 -0.2319711 0.3280567), wk = 0.0027027 k( 47) = ( 0.4107143 -0.2371260 0.3353468), wk = 0.0027027 k( 48) = ( 0.4196429 -0.2422809 0.3426370), wk = 0.0027027 k( 49) = ( 0.4285714 -0.2474358 0.3499271), wk = 0.0027027 k( 50) = ( 0.4375000 -0.2525907 0.3572173), wk = 0.0027027 k( 51) = ( 0.4464286 -0.2577457 0.3645074), wk = 0.0027027 k( 52) = ( 0.4553571 -0.2629006 0.3717975), wk = 0.0027027 k( 53) = ( 0.4642857 -0.2680555 0.3790877), wk = 0.0027027 k( 54) = ( 0.4732143 -0.2732104 0.3863778), wk = 0.0027027 k( 55) = ( 0.4821429 -0.2783653 0.3936680), wk = 0.0027027 k( 56) = ( 0.4910714 -0.2835202 0.4009581), wk = 0.0027027 k( 57) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0027027 k( 58) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0027027 k( 59) = ( 0.5000000 -0.2783653 0.4155384), wk = 0.0027027 k( 60) = ( 0.5000000 -0.2680555 0.4228286), wk = 0.0027027 k( 61) = ( 0.5000000 -0.2577457 0.4301187), wk = 0.0027027 k( 62) = ( 0.5000000 -0.2474358 0.4374089), wk = 0.0027027 k( 63) = ( 0.5000000 -0.2371260 0.4446990), wk = 0.0027027 k( 64) = ( 0.5000000 -0.2268162 0.4519892), wk = 0.0027027 k( 65) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0027027 k( 66) = ( 0.5000000 -0.2061965 0.4665695), wk = 0.0027027 k( 67) = ( 0.5000000 -0.1958867 0.4738596), wk = 0.0027027 k( 68) = ( 0.5000000 -0.1855769 0.4811498), wk = 0.0027027 k( 69) = ( 0.5000000 -0.1752670 0.4884399), wk = 0.0027027 k( 70) = ( 0.5000000 -0.1649572 0.4957301), wk = 0.0027027 k( 71) = ( 0.5000000 -0.1546474 0.5030202), wk = 0.0027027 k( 72) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0027027 k( 73) = ( 0.5000000 -0.1340277 0.5176005), wk = 0.0027027 k( 74) = ( 0.5000000 -0.1237179 0.5248907), wk = 0.0027027 k( 75) = ( 0.5000000 -0.1134081 0.5321808), wk = 0.0027027 k( 76) = ( 0.5000000 -0.1030983 0.5394710), wk = 0.0027027 k( 77) = ( 0.5000000 -0.0927884 0.5467611), wk = 0.0027027 k( 78) = ( 0.5000000 -0.0824786 0.5540513), wk = 0.0027027 k( 79) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0027027 k( 80) = ( 0.5000000 -0.0618590 0.5686315), wk = 0.0027027 k( 81) = ( 0.5000000 -0.0515491 0.5759217), wk = 0.0027027 k( 82) = ( 0.5000000 -0.0412393 0.5832118), wk = 0.0027027 k( 83) = ( 0.5000000 -0.0309295 0.5905020), wk = 0.0027027 k( 84) = ( 0.5000000 -0.0206196 0.5977921), wk = 0.0027027 k( 85) = ( 0.5000000 -0.0103098 0.6050823), wk = 0.0027027 k( 86) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0027027 k( 87) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0027027 k( 88) = ( 0.4937500 0.0108253 0.6123724), wk = 0.0027027 k( 89) = ( 0.4875000 0.0216506 0.6123724), wk = 0.0027027 k( 90) = ( 0.4812500 0.0324760 0.6123724), wk = 0.0027027 k( 91) = ( 0.4750000 0.0433013 0.6123724), wk = 0.0027027 k( 92) = ( 0.4687500 0.0541266 0.6123724), wk = 0.0027027 k( 93) = ( 0.4625000 0.0649519 0.6123724), wk = 0.0027027 k( 94) = ( 0.4562500 0.0757772 0.6123724), wk = 0.0027027 k( 95) = ( 0.4500000 0.0866025 0.6123724), wk = 0.0027027 k( 96) = ( 0.4437500 0.0974279 0.6123724), wk = 0.0027027 k( 97) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0027027 k( 98) = ( 0.4312500 0.1190785 0.6123724), wk = 0.0027027 k( 99) = ( 0.4250000 0.1299038 0.6123724), wk = 0.0027027 k( 100) = ( 0.4187500 0.1407291 0.6123724), wk = 0.0027027 k( 101) = ( 0.4125000 0.1515544 0.6123724), wk = 0.0027027 k( 102) = ( 0.4062500 0.1623798 0.6123724), wk = 0.0027027 k( 103) = ( 0.4000000 0.1732051 0.6123724), wk = 0.0027027 k( 104) = ( 0.3937500 0.1840304 0.6123724), wk = 0.0027027 k( 105) = ( 0.3875000 0.1948557 0.6123724), wk = 0.0027027 k( 106) = ( 0.3812500 0.2056810 0.6123724), wk = 0.0027027 k( 107) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0027027 k( 108) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0027027 k( 109) = ( 0.3686441 0.2128368 0.6019932), wk = 0.0027027 k( 110) = ( 0.3622881 0.2091672 0.5916140), wk = 0.0027027 k( 111) = ( 0.3559322 0.2054976 0.5812349), wk = 0.0027027 k( 112) = ( 0.3495763 0.2018280 0.5708557), wk = 0.0027027 k( 113) = ( 0.3432203 0.1981584 0.5604765), wk = 0.0027027 k( 114) = ( 0.3368644 0.1944888 0.5500973), wk = 0.0027027 k( 115) = ( 0.3305085 0.1908192 0.5397181), wk = 0.0027027 k( 116) = ( 0.3241525 0.1871496 0.5293389), wk = 0.0027027 k( 117) = ( 0.3177966 0.1834800 0.5189597), wk = 0.0027027 k( 118) = ( 0.3114407 0.1798104 0.5085805), wk = 0.0027027 k( 119) = ( 0.3050848 0.1761408 0.4982013), wk = 0.0027027 k( 120) = ( 0.2987288 0.1724712 0.4878221), wk = 0.0027027 k( 121) = ( 0.2923729 0.1688016 0.4774429), wk = 0.0027027 k( 122) = ( 0.2860169 0.1651320 0.4670637), wk = 0.0027027 k( 123) = ( 0.2796610 0.1614624 0.4566845), wk = 0.0027027 k( 124) = ( 0.2733051 0.1577928 0.4463053), wk = 0.0027027 k( 125) = ( 0.2669492 0.1541232 0.4359261), wk = 0.0027027 k( 126) = ( 0.2605932 0.1504536 0.4255469), wk = 0.0027027 k( 127) = ( 0.2542373 0.1467840 0.4151678), wk = 0.0027027 k( 128) = ( 0.2478814 0.1431144 0.4047886), wk = 0.0027027 k( 129) = ( 0.2415254 0.1394448 0.3944094), wk = 0.0027027 k( 130) = ( 0.2351695 0.1357752 0.3840302), wk = 0.0027027 k( 131) = ( 0.2288136 0.1321056 0.3736510), wk = 0.0027027 k( 132) = ( 0.2224576 0.1284360 0.3632718), wk = 0.0027027 k( 133) = ( 0.2161017 0.1247664 0.3528926), wk = 0.0027027 k( 134) = ( 0.2097458 0.1210968 0.3425134), wk = 0.0027027 k( 135) = ( 0.2033898 0.1174272 0.3321342), wk = 0.0027027 k( 136) = ( 0.1970339 0.1137576 0.3217550), wk = 0.0027027 k( 137) = ( 0.1906780 0.1100880 0.3113758), wk = 0.0027027 k( 138) = ( 0.1843220 0.1064184 0.3009966), wk = 0.0027027 k( 139) = ( 0.1779661 0.1027488 0.2906174), wk = 0.0027027 k( 140) = ( 0.1716102 0.0990792 0.2802382), wk = 0.0027027 k( 141) = ( 0.1652542 0.0954096 0.2698590), wk = 0.0027027 k( 142) = ( 0.1588983 0.0917400 0.2594798), wk = 0.0027027 k( 143) = ( 0.1525424 0.0880704 0.2491007), wk = 0.0027027 k( 144) = ( 0.1461864 0.0844008 0.2387215), wk = 0.0027027 k( 145) = ( 0.1398305 0.0807312 0.2283423), wk = 0.0027027 k( 146) = ( 0.1334746 0.0770616 0.2179631), wk = 0.0027027 k( 147) = ( 0.1271186 0.0733920 0.2075839), wk = 0.0027027 k( 148) = ( 0.1207627 0.0697224 0.1972047), wk = 0.0027027 k( 149) = ( 0.1144068 0.0660528 0.1868255), wk = 0.0027027 k( 150) = ( 0.1080509 0.0623832 0.1764463), wk = 0.0027027 k( 151) = ( 0.1016949 0.0587136 0.1660671), wk = 0.0027027 k( 152) = ( 0.0953390 0.0550440 0.1556879), wk = 0.0027027 k( 153) = ( 0.0889830 0.0513744 0.1453087), wk = 0.0027027 k( 154) = ( 0.0826271 0.0477048 0.1349295), wk = 0.0027027 k( 155) = ( 0.0762712 0.0440352 0.1245503), wk = 0.0027027 k( 156) = ( 0.0699152 0.0403656 0.1141711), wk = 0.0027027 k( 157) = ( 0.0635593 0.0366960 0.1037919), wk = 0.0027027 k( 158) = ( 0.0572034 0.0330264 0.0934127), wk = 0.0027027 k( 159) = ( 0.0508475 0.0293568 0.0830336), wk = 0.0027027 k( 160) = ( 0.0444915 0.0256872 0.0726544), wk = 0.0027027 k( 161) = ( 0.0381356 0.0220176 0.0622752), wk = 0.0027027 k( 162) = ( 0.0317797 0.0183480 0.0518960), wk = 0.0027027 k( 163) = ( 0.0254237 0.0146784 0.0415168), wk = 0.0027027 k( 164) = ( 0.0190678 0.0110088 0.0311376), wk = 0.0027027 k( 165) = ( 0.0127119 0.0073392 0.0207584), wk = 0.0027027 k( 166) = ( 0.0063559 0.0036696 0.0103792), wk = 0.0027027 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 169) = ( 0.0102041 0.0058913 0.0041658), wk = 0.0027027 k( 170) = ( 0.0204082 0.0117827 0.0083316), wk = 0.0027027 k( 171) = ( 0.0306122 0.0176740 0.0124974), wk = 0.0027027 k( 172) = ( 0.0408163 0.0235653 0.0166632), wk = 0.0027027 k( 173) = ( 0.0510204 0.0294566 0.0208290), wk = 0.0027027 k( 174) = ( 0.0612245 0.0353480 0.0249948), wk = 0.0027027 k( 175) = ( 0.0714286 0.0412393 0.0291606), wk = 0.0027027 k( 176) = ( 0.0816327 0.0471306 0.0333264), wk = 0.0027027 k( 177) = ( 0.0918367 0.0530220 0.0374922), wk = 0.0027027 k( 178) = ( 0.1020408 0.0589133 0.0416580), wk = 0.0027027 k( 179) = ( 0.1122449 0.0648046 0.0458238), wk = 0.0027027 k( 180) = ( 0.1224490 0.0706960 0.0499896), wk = 0.0027027 k( 181) = ( 0.1326531 0.0765873 0.0541554), wk = 0.0027027 k( 182) = ( 0.1428571 0.0824786 0.0583212), wk = 0.0027027 k( 183) = ( 0.1530612 0.0883699 0.0624870), wk = 0.0027027 k( 184) = ( 0.1632653 0.0942613 0.0666528), wk = 0.0027027 k( 185) = ( 0.1734694 0.1001526 0.0708186), wk = 0.0027027 k( 186) = ( 0.1836735 0.1060439 0.0749844), wk = 0.0027027 k( 187) = ( 0.1938776 0.1119353 0.0791502), wk = 0.0027027 k( 188) = ( 0.2040816 0.1178266 0.0833160), wk = 0.0027027 k( 189) = ( 0.2142857 0.1237179 0.0874818), wk = 0.0027027 k( 190) = ( 0.2244898 0.1296092 0.0916476), wk = 0.0027027 k( 191) = ( 0.2346939 0.1355006 0.0958134), wk = 0.0027027 k( 192) = ( 0.2448980 0.1413919 0.0999792), wk = 0.0027027 k( 193) = ( 0.2551020 0.1472832 0.1041450), wk = 0.0027027 k( 194) = ( 0.2653061 0.1531746 0.1083108), wk = 0.0027027 k( 195) = ( 0.2755102 0.1590659 0.1124766), wk = 0.0027027 k( 196) = ( 0.2857143 0.1649572 0.1166424), wk = 0.0027027 k( 197) = ( 0.2959184 0.1708486 0.1208082), wk = 0.0027027 k( 198) = ( 0.3061224 0.1767399 0.1249740), wk = 0.0027027 k( 199) = ( 0.3163265 0.1826312 0.1291398), wk = 0.0027027 k( 200) = ( 0.3265306 0.1885225 0.1333056), wk = 0.0027027 k( 201) = ( 0.3367347 0.1944139 0.1374714), wk = 0.0027027 k( 202) = ( 0.3469388 0.2003052 0.1416372), wk = 0.0027027 k( 203) = ( 0.3571429 0.2061965 0.1458030), wk = 0.0027027 k( 204) = ( 0.3673469 0.2120879 0.1499688), wk = 0.0027027 k( 205) = ( 0.3775510 0.2179792 0.1541346), wk = 0.0027027 k( 206) = ( 0.3877551 0.2238705 0.1583004), wk = 0.0027027 k( 207) = ( 0.3979592 0.2297618 0.1624662), wk = 0.0027027 k( 208) = ( 0.4081633 0.2356532 0.1666320), wk = 0.0027027 k( 209) = ( 0.4183674 0.2415445 0.1707978), wk = 0.0027027 k( 210) = ( 0.4285714 0.2474358 0.1749636), wk = 0.0027027 k( 211) = ( 0.4387755 0.2533272 0.1791294), wk = 0.0027027 k( 212) = ( 0.4489796 0.2592185 0.1832952), wk = 0.0027027 k( 213) = ( 0.4591837 0.2651098 0.1874609), wk = 0.0027027 k( 214) = ( 0.4693878 0.2710011 0.1916268), wk = 0.0027027 k( 215) = ( 0.4795918 0.2768925 0.1957925), wk = 0.0027027 k( 216) = ( 0.4897959 0.2827838 0.1999583), wk = 0.0027027 k( 217) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0027027 k( 218) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0027027 k( 219) = ( 0.5036765 0.2780621 0.2101278), wk = 0.0027027 k( 220) = ( 0.5073529 0.2674490 0.2161314), wk = 0.0027027 k( 221) = ( 0.5110294 0.2568360 0.2221351), wk = 0.0027027 k( 222) = ( 0.5147059 0.2462229 0.2281387), wk = 0.0027027 k( 223) = ( 0.5183823 0.2356098 0.2341424), wk = 0.0027027 k( 224) = ( 0.5220588 0.2249968 0.2401461), wk = 0.0027027 k( 225) = ( 0.5257353 0.2143837 0.2461497), wk = 0.0027027 k( 226) = ( 0.5294118 0.2037707 0.2521534), wk = 0.0027027 k( 227) = ( 0.5330882 0.1931576 0.2581570), wk = 0.0027027 k( 228) = ( 0.5367647 0.1825446 0.2641607), wk = 0.0027027 k( 229) = ( 0.5404412 0.1719315 0.2701643), wk = 0.0027027 k( 230) = ( 0.5441177 0.1613185 0.2761680), wk = 0.0027027 k( 231) = ( 0.5477941 0.1507054 0.2821716), wk = 0.0027027 k( 232) = ( 0.5514706 0.1400923 0.2881753), wk = 0.0027027 k( 233) = ( 0.5551471 0.1294793 0.2941789), wk = 0.0027027 k( 234) = ( 0.5588235 0.1188662 0.3001826), wk = 0.0027027 k( 235) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0027027 k( 236) = ( 0.5661765 0.0976401 0.3121899), wk = 0.0027027 k( 237) = ( 0.5698529 0.0870271 0.3181935), wk = 0.0027027 k( 238) = ( 0.5735294 0.0764140 0.3241972), wk = 0.0027027 k( 239) = ( 0.5772059 0.0658010 0.3302008), wk = 0.0027027 k( 240) = ( 0.5808823 0.0551879 0.3362045), wk = 0.0027027 k( 241) = ( 0.5845588 0.0445748 0.3422081), wk = 0.0027027 k( 242) = ( 0.5882353 0.0339618 0.3482118), wk = 0.0027027 k( 243) = ( 0.5919118 0.0233487 0.3542154), wk = 0.0027027 k( 244) = ( 0.5955882 0.0127357 0.3602191), wk = 0.0027027 k( 245) = ( 0.5992647 0.0021226 0.3662227), wk = 0.0027027 k( 246) = ( 0.6029412 -0.0084904 0.3722264), wk = 0.0027027 k( 247) = ( 0.6066177 -0.0191035 0.3782300), wk = 0.0027027 k( 248) = ( 0.6102941 -0.0297166 0.3842337), wk = 0.0027027 k( 249) = ( 0.6139706 -0.0403296 0.3902373), wk = 0.0027027 k( 250) = ( 0.6176471 -0.0509427 0.3962410), wk = 0.0027027 k( 251) = ( 0.6213235 -0.0615557 0.4022446), wk = 0.0027027 k( 252) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0027027 k( 253) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0027027 k( 254) = ( 0.6187500 -0.0685603 0.4184545), wk = 0.0027027 k( 255) = ( 0.6125000 -0.0649519 0.4286607), wk = 0.0027027 k( 256) = ( 0.6062500 -0.0613435 0.4388669), wk = 0.0027027 k( 257) = ( 0.6000000 -0.0577350 0.4490731), wk = 0.0027027 k( 258) = ( 0.5937500 -0.0541266 0.4592793), wk = 0.0027027 k( 259) = ( 0.5875000 -0.0505181 0.4694855), wk = 0.0027027 k( 260) = ( 0.5812500 -0.0469097 0.4796917), wk = 0.0027027 k( 261) = ( 0.5750000 -0.0433013 0.4898979), wk = 0.0027027 k( 262) = ( 0.5687500 -0.0396928 0.5001042), wk = 0.0027027 k( 263) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0027027 k( 264) = ( 0.5562500 -0.0324760 0.5205166), wk = 0.0027027 k( 265) = ( 0.5500000 -0.0288675 0.5307228), wk = 0.0027027 k( 266) = ( 0.5437500 -0.0252591 0.5409290), wk = 0.0027027 k( 267) = ( 0.5375000 -0.0216506 0.5511352), wk = 0.0027027 k( 268) = ( 0.5312500 -0.0180422 0.5613414), wk = 0.0027027 k( 269) = ( 0.5250000 -0.0144338 0.5715476), wk = 0.0027027 k( 270) = ( 0.5187500 -0.0108253 0.5817538), wk = 0.0027027 k( 271) = ( 0.5125000 -0.0072169 0.5919600), wk = 0.0027027 k( 272) = ( 0.5062500 -0.0036084 0.6021662), wk = 0.0027027 k( 273) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0027027 k( 274) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0027027 k( 275) = ( 0.5000000 0.0072169 0.6021662), wk = 0.0027027 k( 276) = ( 0.5000000 0.0144338 0.5919600), wk = 0.0027027 k( 277) = ( 0.5000000 0.0216506 0.5817538), wk = 0.0027027 k( 278) = ( 0.5000000 0.0288675 0.5715476), wk = 0.0027027 k( 279) = ( 0.5000000 0.0360844 0.5613414), wk = 0.0027027 k( 280) = ( 0.5000000 0.0433013 0.5511352), wk = 0.0027027 k( 281) = ( 0.5000000 0.0505181 0.5409290), wk = 0.0027027 k( 282) = ( 0.5000000 0.0577350 0.5307228), wk = 0.0027027 k( 283) = ( 0.5000000 0.0649519 0.5205166), wk = 0.0027027 k( 284) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0027027 k( 285) = ( 0.5000000 0.0793857 0.5001042), wk = 0.0027027 k( 286) = ( 0.5000000 0.0866025 0.4898979), wk = 0.0027027 k( 287) = ( 0.5000000 0.0938194 0.4796917), wk = 0.0027027 k( 288) = ( 0.5000000 0.1010363 0.4694855), wk = 0.0027027 k( 289) = ( 0.5000000 0.1082532 0.4592793), wk = 0.0027027 k( 290) = ( 0.5000000 0.1154701 0.4490731), wk = 0.0027027 k( 291) = ( 0.5000000 0.1226869 0.4388669), wk = 0.0027027 k( 292) = ( 0.5000000 0.1299038 0.4286607), wk = 0.0027027 k( 293) = ( 0.5000000 0.1371207 0.4184545), wk = 0.0027027 k( 294) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0027027 k( 295) = ( 0.5000000 0.1515544 0.3980421), wk = 0.0027027 k( 296) = ( 0.5000000 0.1587713 0.3878359), wk = 0.0027027 k( 297) = ( 0.5000000 0.1659882 0.3776297), wk = 0.0027027 k( 298) = ( 0.5000000 0.1732051 0.3674235), wk = 0.0027027 k( 299) = ( 0.5000000 0.1804220 0.3572173), wk = 0.0027027 k( 300) = ( 0.5000000 0.1876388 0.3470110), wk = 0.0027027 k( 301) = ( 0.5000000 0.1948557 0.3368048), wk = 0.0027027 k( 302) = ( 0.5000000 0.2020726 0.3265986), wk = 0.0027027 k( 303) = ( 0.5000000 0.2092895 0.3163924), wk = 0.0027027 k( 304) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0027027 k( 305) = ( 0.5000000 0.2237232 0.2959800), wk = 0.0027027 k( 306) = ( 0.5000000 0.2309401 0.2857738), wk = 0.0027027 k( 307) = ( 0.5000000 0.2381570 0.2755676), wk = 0.0027027 k( 308) = ( 0.5000000 0.2453739 0.2653614), wk = 0.0027027 k( 309) = ( 0.5000000 0.2525907 0.2551552), wk = 0.0027027 k( 310) = ( 0.5000000 0.2598076 0.2449490), wk = 0.0027027 k( 311) = ( 0.5000000 0.2670245 0.2347428), wk = 0.0027027 k( 312) = ( 0.5000000 0.2742414 0.2245366), wk = 0.0027027 k( 313) = ( 0.5000000 0.2814583 0.2143304), wk = 0.0027027 k( 314) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0027027 k( 315) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0027027 k( 316) = ( 0.4963235 0.2865525 0.2161314), wk = 0.0027027 k( 317) = ( 0.4926471 0.2844299 0.2281387), wk = 0.0027027 k( 318) = ( 0.4889706 0.2823073 0.2401460), wk = 0.0027027 k( 319) = ( 0.4852941 0.2801847 0.2521533), wk = 0.0027027 k( 320) = ( 0.4816177 0.2780621 0.2641607), wk = 0.0027027 k( 321) = ( 0.4779412 0.2759395 0.2761680), wk = 0.0027027 k( 322) = ( 0.4742647 0.2738169 0.2881753), wk = 0.0027027 k( 323) = ( 0.4705882 0.2716942 0.3001826), wk = 0.0027027 k( 324) = ( 0.4669118 0.2695716 0.3121899), wk = 0.0027027 k( 325) = ( 0.4632353 0.2674490 0.3241972), wk = 0.0027027 k( 326) = ( 0.4595588 0.2653264 0.3362045), wk = 0.0027027 k( 327) = ( 0.4558823 0.2632038 0.3482118), wk = 0.0027027 k( 328) = ( 0.4522059 0.2610812 0.3602191), wk = 0.0027027 k( 329) = ( 0.4485294 0.2589586 0.3722264), wk = 0.0027027 k( 330) = ( 0.4448529 0.2568360 0.3842337), wk = 0.0027027 k( 331) = ( 0.4411765 0.2547134 0.3962410), wk = 0.0027027 k( 332) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0027027 k( 333) = ( 0.4338235 0.2504681 0.4202556), wk = 0.0027027 k( 334) = ( 0.4301471 0.2483455 0.4322629), wk = 0.0027027 k( 335) = ( 0.4264706 0.2462229 0.4442702), wk = 0.0027027 k( 336) = ( 0.4227941 0.2441003 0.4562775), wk = 0.0027027 k( 337) = ( 0.4191177 0.2419777 0.4682848), wk = 0.0027027 k( 338) = ( 0.4154412 0.2398551 0.4802921), wk = 0.0027027 k( 339) = ( 0.4117647 0.2377325 0.4922994), wk = 0.0027027 k( 340) = ( 0.4080882 0.2356099 0.5043067), wk = 0.0027027 k( 341) = ( 0.4044118 0.2334872 0.5163140), wk = 0.0027027 k( 342) = ( 0.4007353 0.2313646 0.5283213), wk = 0.0027027 k( 343) = ( 0.3970588 0.2292420 0.5403286), wk = 0.0027027 k( 344) = ( 0.3933823 0.2271194 0.5523359), wk = 0.0027027 k( 345) = ( 0.3897059 0.2249968 0.5643432), wk = 0.0027027 k( 346) = ( 0.3860294 0.2228742 0.5763505), wk = 0.0027027 k( 347) = ( 0.3823529 0.2207516 0.5883578), wk = 0.0027027 k( 348) = ( 0.3786765 0.2186290 0.6003651), wk = 0.0027027 k( 349) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0027027 k( 350) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0027027 k( 351) = ( 0.6187500 -0.0829941 0.4082483), wk = 0.0027027 k( 352) = ( 0.6125000 -0.0938194 0.4082483), wk = 0.0027027 k( 353) = ( 0.6062500 -0.1046447 0.4082483), wk = 0.0027027 k( 354) = ( 0.6000000 -0.1154701 0.4082483), wk = 0.0027027 k( 355) = ( 0.5937500 -0.1262954 0.4082483), wk = 0.0027027 k( 356) = ( 0.5875000 -0.1371207 0.4082483), wk = 0.0027027 k( 357) = ( 0.5812500 -0.1479460 0.4082483), wk = 0.0027027 k( 358) = ( 0.5750000 -0.1587713 0.4082483), wk = 0.0027027 k( 359) = ( 0.5687500 -0.1695966 0.4082483), wk = 0.0027027 k( 360) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0027027 k( 361) = ( 0.5562500 -0.1912473 0.4082483), wk = 0.0027027 k( 362) = ( 0.5500000 -0.2020726 0.4082483), wk = 0.0027027 k( 363) = ( 0.5437500 -0.2128979 0.4082483), wk = 0.0027027 k( 364) = ( 0.5375000 -0.2237232 0.4082483), wk = 0.0027027 k( 365) = ( 0.5312500 -0.2345485 0.4082483), wk = 0.0027027 k( 366) = ( 0.5250000 -0.2453739 0.4082483), wk = 0.0027027 k( 367) = ( 0.5187500 -0.2561992 0.4082483), wk = 0.0027027 k( 368) = ( 0.5125000 -0.2670245 0.4082483), wk = 0.0027027 k( 369) = ( 0.5062500 -0.2778498 0.4082483), wk = 0.0027027 k( 370) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0027027 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 2) = ( 0.0089286 -0.0000000 0.0089286), wk = 0.0027027 k( 3) = ( 0.0178571 -0.0000000 0.0178571), wk = 0.0027027 k( 4) = ( 0.0267857 -0.0000000 0.0267857), wk = 0.0027027 k( 5) = ( 0.0357143 -0.0000000 0.0357143), wk = 0.0027027 k( 6) = ( 0.0446429 -0.0000000 0.0446429), wk = 0.0027027 k( 7) = ( 0.0535714 -0.0000000 0.0535714), wk = 0.0027027 k( 8) = ( 0.0625000 -0.0000000 0.0625000), wk = 0.0027027 k( 9) = ( 0.0714286 -0.0000000 0.0714286), wk = 0.0027027 k( 10) = ( 0.0803571 -0.0000000 0.0803571), wk = 0.0027027 k( 11) = ( 0.0892857 -0.0000000 0.0892857), wk = 0.0027027 k( 12) = ( 0.0982143 -0.0000000 0.0982143), wk = 0.0027027 k( 13) = ( 0.1071429 -0.0000000 0.1071429), wk = 0.0027027 k( 14) = ( 0.1160714 -0.0000000 0.1160714), wk = 0.0027027 k( 15) = ( 0.1250000 -0.0000000 0.1250000), wk = 0.0027027 k( 16) = ( 0.1339286 -0.0000000 0.1339286), wk = 0.0027027 k( 17) = ( 0.1428571 -0.0000000 0.1428571), wk = 0.0027027 k( 18) = ( 0.1517857 -0.0000000 0.1517857), wk = 0.0027027 k( 19) = ( 0.1607143 -0.0000000 0.1607143), wk = 0.0027027 k( 20) = ( 0.1696429 -0.0000000 0.1696429), wk = 0.0027027 k( 21) = ( 0.1785714 -0.0000000 0.1785714), wk = 0.0027027 k( 22) = ( 0.1875000 -0.0000000 0.1875000), wk = 0.0027027 k( 23) = ( 0.1964286 -0.0000000 0.1964286), wk = 0.0027027 k( 24) = ( 0.2053571 -0.0000000 0.2053571), wk = 0.0027027 k( 25) = ( 0.2142857 -0.0000000 0.2142857), wk = 0.0027027 k( 26) = ( 0.2232143 -0.0000000 0.2232143), wk = 0.0027027 k( 27) = ( 0.2321429 -0.0000000 0.2321429), wk = 0.0027027 k( 28) = ( 0.2410714 -0.0000000 0.2410714), wk = 0.0027027 k( 29) = ( 0.2500000 -0.0000000 0.2500000), wk = 0.0027027 k( 30) = ( 0.2589286 -0.0000000 0.2589286), wk = 0.0027027 k( 31) = ( 0.2678571 -0.0000000 0.2678571), wk = 0.0027027 k( 32) = ( 0.2767857 -0.0000000 0.2767857), wk = 0.0027027 k( 33) = ( 0.2857143 -0.0000000 0.2857143), wk = 0.0027027 k( 34) = ( 0.2946429 -0.0000000 0.2946429), wk = 0.0027027 k( 35) = ( 0.3035714 -0.0000000 0.3035714), wk = 0.0027027 k( 36) = ( 0.3125000 -0.0000000 0.3125000), wk = 0.0027027 k( 37) = ( 0.3214286 -0.0000000 0.3214286), wk = 0.0027027 k( 38) = ( 0.3303571 -0.0000000 0.3303571), wk = 0.0027027 k( 39) = ( 0.3392857 -0.0000000 0.3392857), wk = 0.0027027 k( 40) = ( 0.3482143 -0.0000000 0.3482143), wk = 0.0027027 k( 41) = ( 0.3571429 -0.0000000 0.3571429), wk = 0.0027027 k( 42) = ( 0.3660714 -0.0000000 0.3660714), wk = 0.0027027 k( 43) = ( 0.3750000 -0.0000000 0.3750000), wk = 0.0027027 k( 44) = ( 0.3839286 -0.0000000 0.3839286), wk = 0.0027027 k( 45) = ( 0.3928571 -0.0000000 0.3928571), wk = 0.0027027 k( 46) = ( 0.4017857 -0.0000000 0.4017857), wk = 0.0027027 k( 47) = ( 0.4107143 -0.0000000 0.4107143), wk = 0.0027027 k( 48) = ( 0.4196429 -0.0000000 0.4196429), wk = 0.0027027 k( 49) = ( 0.4285714 -0.0000000 0.4285714), wk = 0.0027027 k( 50) = ( 0.4375000 -0.0000000 0.4375000), wk = 0.0027027 k( 51) = ( 0.4464286 -0.0000000 0.4464286), wk = 0.0027027 k( 52) = ( 0.4553571 -0.0000000 0.4553571), wk = 0.0027027 k( 53) = ( 0.4642857 -0.0000000 0.4642857), wk = 0.0027027 k( 54) = ( 0.4732143 -0.0000000 0.4732143), wk = 0.0027027 k( 55) = ( 0.4821429 -0.0000000 0.4821429), wk = 0.0027027 k( 56) = ( 0.4910714 -0.0000000 0.4910714), wk = 0.0027027 k( 57) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0027027 k( 58) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0027027 k( 59) = ( 0.5000000 0.0089286 0.5089286), wk = 0.0027027 k( 60) = ( 0.5000000 0.0178571 0.5178571), wk = 0.0027027 k( 61) = ( 0.5000000 0.0267857 0.5267857), wk = 0.0027027 k( 62) = ( 0.5000000 0.0357143 0.5357143), wk = 0.0027027 k( 63) = ( 0.5000000 0.0446429 0.5446429), wk = 0.0027027 k( 64) = ( 0.5000000 0.0535714 0.5535714), wk = 0.0027027 k( 65) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0027027 k( 66) = ( 0.5000000 0.0714286 0.5714286), wk = 0.0027027 k( 67) = ( 0.5000000 0.0803571 0.5803571), wk = 0.0027027 k( 68) = ( 0.5000000 0.0892857 0.5892857), wk = 0.0027027 k( 69) = ( 0.5000000 0.0982143 0.5982143), wk = 0.0027027 k( 70) = ( 0.5000000 0.1071429 0.6071429), wk = 0.0027027 k( 71) = ( 0.5000000 0.1160714 0.6160714), wk = 0.0027027 k( 72) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0027027 k( 73) = ( 0.5000000 0.1339286 0.6339286), wk = 0.0027027 k( 74) = ( 0.5000000 0.1428571 0.6428571), wk = 0.0027027 k( 75) = ( 0.5000000 0.1517857 0.6517857), wk = 0.0027027 k( 76) = ( 0.5000000 0.1607143 0.6607143), wk = 0.0027027 k( 77) = ( 0.5000000 0.1696429 0.6696429), wk = 0.0027027 k( 78) = ( 0.5000000 0.1785714 0.6785714), wk = 0.0027027 k( 79) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0027027 k( 80) = ( 0.5000000 0.1964286 0.6964286), wk = 0.0027027 k( 81) = ( 0.5000000 0.2053571 0.7053571), wk = 0.0027027 k( 82) = ( 0.5000000 0.2142857 0.7142857), wk = 0.0027027 k( 83) = ( 0.5000000 0.2232143 0.7232143), wk = 0.0027027 k( 84) = ( 0.5000000 0.2321429 0.7321429), wk = 0.0027027 k( 85) = ( 0.5000000 0.2410714 0.7410714), wk = 0.0027027 k( 86) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0027027 k( 87) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0027027 k( 88) = ( 0.4937500 0.2562500 0.7500000), wk = 0.0027027 k( 89) = ( 0.4875000 0.2625000 0.7500000), wk = 0.0027027 k( 90) = ( 0.4812500 0.2687500 0.7500000), wk = 0.0027027 k( 91) = ( 0.4750000 0.2750000 0.7500000), wk = 0.0027027 k( 92) = ( 0.4687500 0.2812500 0.7500000), wk = 0.0027027 k( 93) = ( 0.4625000 0.2875000 0.7500000), wk = 0.0027027 k( 94) = ( 0.4562500 0.2937500 0.7500000), wk = 0.0027027 k( 95) = ( 0.4500000 0.3000000 0.7500000), wk = 0.0027027 k( 96) = ( 0.4437500 0.3062500 0.7500000), wk = 0.0027027 k( 97) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0027027 k( 98) = ( 0.4312500 0.3187500 0.7500000), wk = 0.0027027 k( 99) = ( 0.4250000 0.3250000 0.7500000), wk = 0.0027027 k( 100) = ( 0.4187500 0.3312500 0.7500000), wk = 0.0027027 k( 101) = ( 0.4125000 0.3375000 0.7500000), wk = 0.0027027 k( 102) = ( 0.4062500 0.3437500 0.7500000), wk = 0.0027027 k( 103) = ( 0.4000000 0.3500000 0.7500000), wk = 0.0027027 k( 104) = ( 0.3937500 0.3562500 0.7500000), wk = 0.0027027 k( 105) = ( 0.3875000 0.3625000 0.7500000), wk = 0.0027027 k( 106) = ( 0.3812500 0.3687500 0.7500000), wk = 0.0027027 k( 107) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0027027 k( 108) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0027027 k( 109) = ( 0.3686441 0.3686441 0.7372881), wk = 0.0027027 k( 110) = ( 0.3622881 0.3622881 0.7245763), wk = 0.0027027 k( 111) = ( 0.3559322 0.3559322 0.7118644), wk = 0.0027027 k( 112) = ( 0.3495763 0.3495763 0.6991525), wk = 0.0027027 k( 113) = ( 0.3432203 0.3432203 0.6864407), wk = 0.0027027 k( 114) = ( 0.3368644 0.3368644 0.6737288), wk = 0.0027027 k( 115) = ( 0.3305085 0.3305085 0.6610170), wk = 0.0027027 k( 116) = ( 0.3241525 0.3241525 0.6483051), wk = 0.0027027 k( 117) = ( 0.3177966 0.3177966 0.6355932), wk = 0.0027027 k( 118) = ( 0.3114407 0.3114407 0.6228814), wk = 0.0027027 k( 119) = ( 0.3050848 0.3050848 0.6101695), wk = 0.0027027 k( 120) = ( 0.2987288 0.2987288 0.5974576), wk = 0.0027027 k( 121) = ( 0.2923729 0.2923729 0.5847458), wk = 0.0027027 k( 122) = ( 0.2860169 0.2860169 0.5720339), wk = 0.0027027 k( 123) = ( 0.2796610 0.2796610 0.5593220), wk = 0.0027027 k( 124) = ( 0.2733051 0.2733051 0.5466102), wk = 0.0027027 k( 125) = ( 0.2669492 0.2669492 0.5338983), wk = 0.0027027 k( 126) = ( 0.2605932 0.2605932 0.5211864), wk = 0.0027027 k( 127) = ( 0.2542373 0.2542373 0.5084746), wk = 0.0027027 k( 128) = ( 0.2478814 0.2478814 0.4957627), wk = 0.0027027 k( 129) = ( 0.2415254 0.2415254 0.4830508), wk = 0.0027027 k( 130) = ( 0.2351695 0.2351695 0.4703390), wk = 0.0027027 k( 131) = ( 0.2288136 0.2288136 0.4576271), wk = 0.0027027 k( 132) = ( 0.2224576 0.2224576 0.4449152), wk = 0.0027027 k( 133) = ( 0.2161017 0.2161017 0.4322034), wk = 0.0027027 k( 134) = ( 0.2097458 0.2097458 0.4194915), wk = 0.0027027 k( 135) = ( 0.2033898 0.2033898 0.4067797), wk = 0.0027027 k( 136) = ( 0.1970339 0.1970339 0.3940678), wk = 0.0027027 k( 137) = ( 0.1906780 0.1906780 0.3813559), wk = 0.0027027 k( 138) = ( 0.1843220 0.1843220 0.3686441), wk = 0.0027027 k( 139) = ( 0.1779661 0.1779661 0.3559322), wk = 0.0027027 k( 140) = ( 0.1716102 0.1716102 0.3432203), wk = 0.0027027 k( 141) = ( 0.1652542 0.1652542 0.3305085), wk = 0.0027027 k( 142) = ( 0.1588983 0.1588983 0.3177966), wk = 0.0027027 k( 143) = ( 0.1525424 0.1525424 0.3050848), wk = 0.0027027 k( 144) = ( 0.1461864 0.1461864 0.2923729), wk = 0.0027027 k( 145) = ( 0.1398305 0.1398305 0.2796610), wk = 0.0027027 k( 146) = ( 0.1334746 0.1334746 0.2669492), wk = 0.0027027 k( 147) = ( 0.1271186 0.1271186 0.2542373), wk = 0.0027027 k( 148) = ( 0.1207627 0.1207627 0.2415254), wk = 0.0027027 k( 149) = ( 0.1144068 0.1144068 0.2288136), wk = 0.0027027 k( 150) = ( 0.1080509 0.1080508 0.2161017), wk = 0.0027027 k( 151) = ( 0.1016949 0.1016949 0.2033898), wk = 0.0027027 k( 152) = ( 0.0953390 0.0953390 0.1906780), wk = 0.0027027 k( 153) = ( 0.0889830 0.0889830 0.1779661), wk = 0.0027027 k( 154) = ( 0.0826271 0.0826271 0.1652542), wk = 0.0027027 k( 155) = ( 0.0762712 0.0762712 0.1525424), wk = 0.0027027 k( 156) = ( 0.0699152 0.0699152 0.1398305), wk = 0.0027027 k( 157) = ( 0.0635593 0.0635593 0.1271186), wk = 0.0027027 k( 158) = ( 0.0572034 0.0572034 0.1144068), wk = 0.0027027 k( 159) = ( 0.0508475 0.0508475 0.1016949), wk = 0.0027027 k( 160) = ( 0.0444915 0.0444915 0.0889830), wk = 0.0027027 k( 161) = ( 0.0381356 0.0381356 0.0762712), wk = 0.0027027 k( 162) = ( 0.0317797 0.0317797 0.0635593), wk = 0.0027027 k( 163) = ( 0.0254237 0.0254237 0.0508475), wk = 0.0027027 k( 164) = ( 0.0190678 0.0190678 0.0381356), wk = 0.0027027 k( 165) = ( 0.0127119 0.0127119 0.0254237), wk = 0.0027027 k( 166) = ( 0.0063559 0.0063559 0.0127119), wk = 0.0027027 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027027 k( 169) = ( 0.0102041 0.0102041 0.0102041), wk = 0.0027027 k( 170) = ( 0.0204082 0.0204082 0.0204082), wk = 0.0027027 k( 171) = ( 0.0306122 0.0306122 0.0306122), wk = 0.0027027 k( 172) = ( 0.0408163 0.0408163 0.0408163), wk = 0.0027027 k( 173) = ( 0.0510204 0.0510204 0.0510204), wk = 0.0027027 k( 174) = ( 0.0612245 0.0612245 0.0612245), wk = 0.0027027 k( 175) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0027027 k( 176) = ( 0.0816327 0.0816327 0.0816327), wk = 0.0027027 k( 177) = ( 0.0918367 0.0918367 0.0918367), wk = 0.0027027 k( 178) = ( 0.1020408 0.1020408 0.1020408), wk = 0.0027027 k( 179) = ( 0.1122449 0.1122449 0.1122449), wk = 0.0027027 k( 180) = ( 0.1224490 0.1224490 0.1224490), wk = 0.0027027 k( 181) = ( 0.1326531 0.1326531 0.1326531), wk = 0.0027027 k( 182) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0027027 k( 183) = ( 0.1530612 0.1530612 0.1530612), wk = 0.0027027 k( 184) = ( 0.1632653 0.1632653 0.1632653), wk = 0.0027027 k( 185) = ( 0.1734694 0.1734694 0.1734694), wk = 0.0027027 k( 186) = ( 0.1836735 0.1836735 0.1836735), wk = 0.0027027 k( 187) = ( 0.1938776 0.1938775 0.1938776), wk = 0.0027027 k( 188) = ( 0.2040816 0.2040816 0.2040816), wk = 0.0027027 k( 189) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0027027 k( 190) = ( 0.2244898 0.2244898 0.2244898), wk = 0.0027027 k( 191) = ( 0.2346939 0.2346939 0.2346939), wk = 0.0027027 k( 192) = ( 0.2448980 0.2448980 0.2448980), wk = 0.0027027 k( 193) = ( 0.2551020 0.2551020 0.2551020), wk = 0.0027027 k( 194) = ( 0.2653061 0.2653061 0.2653061), wk = 0.0027027 k( 195) = ( 0.2755102 0.2755102 0.2755102), wk = 0.0027027 k( 196) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0027027 k( 197) = ( 0.2959184 0.2959184 0.2959184), wk = 0.0027027 k( 198) = ( 0.3061224 0.3061224 0.3061224), wk = 0.0027027 k( 199) = ( 0.3163265 0.3163265 0.3163265), wk = 0.0027027 k( 200) = ( 0.3265306 0.3265306 0.3265306), wk = 0.0027027 k( 201) = ( 0.3367347 0.3367347 0.3367347), wk = 0.0027027 k( 202) = ( 0.3469388 0.3469388 0.3469388), wk = 0.0027027 k( 203) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0027027 k( 204) = ( 0.3673469 0.3673469 0.3673469), wk = 0.0027027 k( 205) = ( 0.3775510 0.3775510 0.3775510), wk = 0.0027027 k( 206) = ( 0.3877551 0.3877551 0.3877551), wk = 0.0027027 k( 207) = ( 0.3979592 0.3979592 0.3979592), wk = 0.0027027 k( 208) = ( 0.4081633 0.4081633 0.4081633), wk = 0.0027027 k( 209) = ( 0.4183674 0.4183674 0.4183674), wk = 0.0027027 k( 210) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0027027 k( 211) = ( 0.4387755 0.4387755 0.4387755), wk = 0.0027027 k( 212) = ( 0.4489796 0.4489796 0.4489796), wk = 0.0027027 k( 213) = ( 0.4591837 0.4591837 0.4591837), wk = 0.0027027 k( 214) = ( 0.4693878 0.4693878 0.4693878), wk = 0.0027027 k( 215) = ( 0.4795918 0.4795918 0.4795918), wk = 0.0027027 k( 216) = ( 0.4897959 0.4897959 0.4897959), wk = 0.0027027 k( 217) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027027 k( 218) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027027 k( 219) = ( 0.5036765 0.4926471 0.5036765), wk = 0.0027027 k( 220) = ( 0.5073529 0.4852941 0.5073529), wk = 0.0027027 k( 221) = ( 0.5110294 0.4779412 0.5110294), wk = 0.0027027 k( 222) = ( 0.5147059 0.4705882 0.5147059), wk = 0.0027027 k( 223) = ( 0.5183823 0.4632353 0.5183823), wk = 0.0027027 k( 224) = ( 0.5220588 0.4558823 0.5220588), wk = 0.0027027 k( 225) = ( 0.5257353 0.4485294 0.5257353), wk = 0.0027027 k( 226) = ( 0.5294118 0.4411765 0.5294118), wk = 0.0027027 k( 227) = ( 0.5330882 0.4338235 0.5330882), wk = 0.0027027 k( 228) = ( 0.5367647 0.4264706 0.5367647), wk = 0.0027027 k( 229) = ( 0.5404412 0.4191177 0.5404412), wk = 0.0027027 k( 230) = ( 0.5441177 0.4117647 0.5441177), wk = 0.0027027 k( 231) = ( 0.5477941 0.4044118 0.5477941), wk = 0.0027027 k( 232) = ( 0.5514706 0.3970588 0.5514706), wk = 0.0027027 k( 233) = ( 0.5551471 0.3897059 0.5551471), wk = 0.0027027 k( 234) = ( 0.5588235 0.3823529 0.5588235), wk = 0.0027027 k( 235) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0027027 k( 236) = ( 0.5661765 0.3676471 0.5661765), wk = 0.0027027 k( 237) = ( 0.5698529 0.3602941 0.5698529), wk = 0.0027027 k( 238) = ( 0.5735294 0.3529412 0.5735294), wk = 0.0027027 k( 239) = ( 0.5772059 0.3455882 0.5772059), wk = 0.0027027 k( 240) = ( 0.5808823 0.3382353 0.5808823), wk = 0.0027027 k( 241) = ( 0.5845588 0.3308823 0.5845588), wk = 0.0027027 k( 242) = ( 0.5882353 0.3235294 0.5882353), wk = 0.0027027 k( 243) = ( 0.5919118 0.3161765 0.5919118), wk = 0.0027027 k( 244) = ( 0.5955882 0.3088235 0.5955882), wk = 0.0027027 k( 245) = ( 0.5992647 0.3014706 0.5992647), wk = 0.0027027 k( 246) = ( 0.6029412 0.2941177 0.6029412), wk = 0.0027027 k( 247) = ( 0.6066177 0.2867647 0.6066176), wk = 0.0027027 k( 248) = ( 0.6102941 0.2794118 0.6102941), wk = 0.0027027 k( 249) = ( 0.6139706 0.2720588 0.6139706), wk = 0.0027027 k( 250) = ( 0.6176471 0.2647059 0.6176471), wk = 0.0027027 k( 251) = ( 0.6213235 0.2573529 0.6213235), wk = 0.0027027 k( 252) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0027027 k( 253) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0027027 k( 254) = ( 0.6187500 0.2500000 0.6312500), wk = 0.0027027 k( 255) = ( 0.6125000 0.2500000 0.6375000), wk = 0.0027027 k( 256) = ( 0.6062500 0.2500000 0.6437500), wk = 0.0027027 k( 257) = ( 0.6000000 0.2500000 0.6500000), wk = 0.0027027 k( 258) = ( 0.5937500 0.2500000 0.6562500), wk = 0.0027027 k( 259) = ( 0.5875000 0.2500000 0.6625000), wk = 0.0027027 k( 260) = ( 0.5812500 0.2500000 0.6687500), wk = 0.0027027 k( 261) = ( 0.5750000 0.2500000 0.6750000), wk = 0.0027027 k( 262) = ( 0.5687500 0.2500000 0.6812500), wk = 0.0027027 k( 263) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0027027 k( 264) = ( 0.5562500 0.2500000 0.6937500), wk = 0.0027027 k( 265) = ( 0.5500000 0.2500000 0.7000000), wk = 0.0027027 k( 266) = ( 0.5437500 0.2500000 0.7062500), wk = 0.0027027 k( 267) = ( 0.5375000 0.2500000 0.7125000), wk = 0.0027027 k( 268) = ( 0.5312500 0.2500000 0.7187500), wk = 0.0027027 k( 269) = ( 0.5250000 0.2500000 0.7250000), wk = 0.0027027 k( 270) = ( 0.5187500 0.2500000 0.7312500), wk = 0.0027027 k( 271) = ( 0.5125000 0.2500000 0.7375000), wk = 0.0027027 k( 272) = ( 0.5062500 0.2500000 0.7437500), wk = 0.0027027 k( 273) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0027027 k( 274) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0027027 k( 275) = ( 0.5000000 0.2562500 0.7437500), wk = 0.0027027 k( 276) = ( 0.5000000 0.2625000 0.7375000), wk = 0.0027027 k( 277) = ( 0.5000000 0.2687500 0.7312500), wk = 0.0027027 k( 278) = ( 0.5000000 0.2750000 0.7250000), wk = 0.0027027 k( 279) = ( 0.5000000 0.2812500 0.7187500), wk = 0.0027027 k( 280) = ( 0.5000000 0.2875000 0.7125000), wk = 0.0027027 k( 281) = ( 0.5000000 0.2937500 0.7062500), wk = 0.0027027 k( 282) = ( 0.5000000 0.3000000 0.7000000), wk = 0.0027027 k( 283) = ( 0.5000000 0.3062500 0.6937500), wk = 0.0027027 k( 284) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0027027 k( 285) = ( 0.5000000 0.3187500 0.6812500), wk = 0.0027027 k( 286) = ( 0.5000000 0.3250000 0.6750000), wk = 0.0027027 k( 287) = ( 0.5000000 0.3312500 0.6687500), wk = 0.0027027 k( 288) = ( 0.5000000 0.3375000 0.6625000), wk = 0.0027027 k( 289) = ( 0.5000000 0.3437500 0.6562500), wk = 0.0027027 k( 290) = ( 0.5000000 0.3500000 0.6500000), wk = 0.0027027 k( 291) = ( 0.5000000 0.3562500 0.6437500), wk = 0.0027027 k( 292) = ( 0.5000000 0.3625000 0.6375000), wk = 0.0027027 k( 293) = ( 0.5000000 0.3687500 0.6312500), wk = 0.0027027 k( 294) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0027027 k( 295) = ( 0.5000000 0.3812500 0.6187500), wk = 0.0027027 k( 296) = ( 0.5000000 0.3875000 0.6125000), wk = 0.0027027 k( 297) = ( 0.5000000 0.3937500 0.6062500), wk = 0.0027027 k( 298) = ( 0.5000000 0.4000000 0.6000000), wk = 0.0027027 k( 299) = ( 0.5000000 0.4062500 0.5937500), wk = 0.0027027 k( 300) = ( 0.5000000 0.4125000 0.5875000), wk = 0.0027027 k( 301) = ( 0.5000000 0.4187500 0.5812500), wk = 0.0027027 k( 302) = ( 0.5000000 0.4250000 0.5750000), wk = 0.0027027 k( 303) = ( 0.5000000 0.4312500 0.5687500), wk = 0.0027027 k( 304) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0027027 k( 305) = ( 0.5000000 0.4437500 0.5562500), wk = 0.0027027 k( 306) = ( 0.5000000 0.4500000 0.5500000), wk = 0.0027027 k( 307) = ( 0.5000000 0.4562500 0.5437500), wk = 0.0027027 k( 308) = ( 0.5000000 0.4625000 0.5375000), wk = 0.0027027 k( 309) = ( 0.5000000 0.4687500 0.5312500), wk = 0.0027027 k( 310) = ( 0.5000000 0.4750000 0.5250000), wk = 0.0027027 k( 311) = ( 0.5000000 0.4812500 0.5187500), wk = 0.0027027 k( 312) = ( 0.5000000 0.4875000 0.5125000), wk = 0.0027027 k( 313) = ( 0.5000000 0.4937500 0.5062500), wk = 0.0027027 k( 314) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027027 k( 315) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027027 k( 316) = ( 0.4963235 0.4963235 0.5073529), wk = 0.0027027 k( 317) = ( 0.4926471 0.4926471 0.5147059), wk = 0.0027027 k( 318) = ( 0.4889706 0.4889706 0.5220588), wk = 0.0027027 k( 319) = ( 0.4852941 0.4852941 0.5294118), wk = 0.0027027 k( 320) = ( 0.4816177 0.4816177 0.5367647), wk = 0.0027027 k( 321) = ( 0.4779412 0.4779412 0.5441177), wk = 0.0027027 k( 322) = ( 0.4742647 0.4742647 0.5514706), wk = 0.0027027 k( 323) = ( 0.4705882 0.4705882 0.5588235), wk = 0.0027027 k( 324) = ( 0.4669118 0.4669118 0.5661765), wk = 0.0027027 k( 325) = ( 0.4632353 0.4632353 0.5735294), wk = 0.0027027 k( 326) = ( 0.4595588 0.4595588 0.5808823), wk = 0.0027027 k( 327) = ( 0.4558823 0.4558823 0.5882353), wk = 0.0027027 k( 328) = ( 0.4522059 0.4522059 0.5955882), wk = 0.0027027 k( 329) = ( 0.4485294 0.4485294 0.6029412), wk = 0.0027027 k( 330) = ( 0.4448529 0.4448529 0.6102941), wk = 0.0027027 k( 331) = ( 0.4411765 0.4411765 0.6176471), wk = 0.0027027 k( 332) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0027027 k( 333) = ( 0.4338235 0.4338235 0.6323529), wk = 0.0027027 k( 334) = ( 0.4301471 0.4301471 0.6397059), wk = 0.0027027 k( 335) = ( 0.4264706 0.4264706 0.6470588), wk = 0.0027027 k( 336) = ( 0.4227941 0.4227941 0.6544118), wk = 0.0027027 k( 337) = ( 0.4191177 0.4191177 0.6617647), wk = 0.0027027 k( 338) = ( 0.4154412 0.4154412 0.6691177), wk = 0.0027027 k( 339) = ( 0.4117647 0.4117647 0.6764706), wk = 0.0027027 k( 340) = ( 0.4080882 0.4080882 0.6838235), wk = 0.0027027 k( 341) = ( 0.4044118 0.4044118 0.6911765), wk = 0.0027027 k( 342) = ( 0.4007353 0.4007353 0.6985294), wk = 0.0027027 k( 343) = ( 0.3970588 0.3970588 0.7058823), wk = 0.0027027 k( 344) = ( 0.3933823 0.3933823 0.7132353), wk = 0.0027027 k( 345) = ( 0.3897059 0.3897059 0.7205882), wk = 0.0027027 k( 346) = ( 0.3860294 0.3860294 0.7279412), wk = 0.0027027 k( 347) = ( 0.3823529 0.3823529 0.7352941), wk = 0.0027027 k( 348) = ( 0.3786765 0.3786765 0.7426471), wk = 0.0027027 k( 349) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0027027 k( 350) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0027027 k( 351) = ( 0.6187500 0.2375000 0.6187500), wk = 0.0027027 k( 352) = ( 0.6125000 0.2250000 0.6125000), wk = 0.0027027 k( 353) = ( 0.6062500 0.2125000 0.6062500), wk = 0.0027027 k( 354) = ( 0.6000000 0.2000000 0.6000000), wk = 0.0027027 k( 355) = ( 0.5937500 0.1875000 0.5937500), wk = 0.0027027 k( 356) = ( 0.5875000 0.1750000 0.5875000), wk = 0.0027027 k( 357) = ( 0.5812500 0.1625000 0.5812500), wk = 0.0027027 k( 358) = ( 0.5750000 0.1500000 0.5750000), wk = 0.0027027 k( 359) = ( 0.5687500 0.1375000 0.5687500), wk = 0.0027027 k( 360) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0027027 k( 361) = ( 0.5562500 0.1125000 0.5562500), wk = 0.0027027 k( 362) = ( 0.5500000 0.1000000 0.5500000), wk = 0.0027027 k( 363) = ( 0.5437500 0.0875000 0.5437500), wk = 0.0027027 k( 364) = ( 0.5375000 0.0750000 0.5375000), wk = 0.0027027 k( 365) = ( 0.5312500 0.0625000 0.5312500), wk = 0.0027027 k( 366) = ( 0.5250000 0.0500000 0.5250000), wk = 0.0027027 k( 367) = ( 0.5187500 0.0375000 0.5187500), wk = 0.0027027 k( 368) = ( 0.5125000 0.0250000 0.5125000), wk = 0.0027027 k( 369) = ( 0.5062500 0.0125000 0.5062500), wk = 0.0027027 k( 370) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0027027 Dense grid: 21547 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 10081 G-vectors FFT dimensions: ( 32, 32, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 80, 24) NL pseudopotentials 0.04 Mb ( 40, 68) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.00 Mb ( 600) G-vector shells 0.00 Mb ( 211) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.12 Mb ( 80, 96) Each subspace H/S matrix 0.01 Mb ( 24, 24) Each matrix 0.05 Mb ( 68, 2, 24) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./YP.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 2.6 secs Computing kpt #: 3 total cpu time spent up to now is 2.7 secs Computing kpt #: 4 total cpu time spent up to now is 2.8 secs Computing kpt #: 5 total cpu time spent up to now is 2.8 secs Computing kpt #: 6 total cpu time spent up to now is 2.9 secs Computing kpt #: 7 total cpu time spent up to now is 3.0 secs Computing kpt #: 8 total cpu time spent up to now is 3.1 secs Computing kpt #: 9 total cpu time spent up to now is 3.1 secs Computing kpt #: 10 total cpu time spent up to now is 3.2 secs Computing kpt #: 11 total cpu time spent up to now is 3.3 secs Computing kpt #: 12 total cpu time spent up to now is 3.3 secs Computing kpt #: 13 total cpu time spent up to now is 3.4 secs Computing kpt #: 14 total cpu time spent up to now is 3.5 secs Computing kpt #: 15 total cpu time spent up to now is 3.5 secs Computing kpt #: 16 total cpu time spent up to now is 3.6 secs Computing kpt #: 17 total cpu time spent up to now is 3.7 secs Computing kpt #: 18 total cpu time spent up to now is 3.7 secs Computing kpt #: 19 total cpu time spent up to now is 3.8 secs Computing kpt #: 20 total cpu time spent up to now is 3.9 secs Computing kpt #: 21 total cpu time spent up to now is 3.9 secs Computing kpt #: 22 total cpu time spent up to now is 4.0 secs Computing kpt #: 23 total cpu time spent up to now is 4.1 secs Computing kpt #: 24 total cpu time spent up to now is 4.2 secs Computing kpt #: 25 total cpu time spent up to now is 4.2 secs Computing kpt #: 26 total cpu time spent up to now is 4.3 secs Computing kpt #: 27 total cpu time spent up to now is 4.4 secs Computing kpt #: 28 total cpu time spent up to now is 4.5 secs Computing kpt #: 29 total cpu time spent up to now is 4.6 secs Computing kpt #: 30 total cpu time spent up to now is 4.6 secs Computing kpt #: 31 total cpu time spent up to now is 4.7 secs Computing kpt #: 32 total cpu time spent up to now is 4.8 secs Computing kpt #: 33 total cpu time spent up to now is 4.9 secs Computing kpt #: 34 total cpu time spent up to now is 5.0 secs Computing kpt #: 35 total cpu time spent up to now is 5.1 secs Computing kpt #: 36 total cpu time spent up to now is 5.2 secs Computing kpt #: 37 total cpu time spent up to now is 5.3 secs Computing kpt #: 38 total cpu time spent up to now is 5.4 secs Computing kpt #: 39 total cpu time spent up to now is 5.5 secs Computing kpt #: 40 total cpu time spent up to now is 5.6 secs Computing kpt #: 41 total cpu time spent up to now is 5.7 secs Computing kpt #: 42 total cpu time spent up to now is 5.8 secs Computing kpt #: 43 total cpu time spent up to now is 5.9 secs Computing kpt #: 44 total cpu time spent up to now is 6.0 secs Computing kpt #: 45 total cpu time spent up to now is 6.1 secs Computing kpt #: 46 total cpu time spent up to now is 6.3 secs Computing kpt #: 47 total cpu time spent up to now is 6.4 secs Computing kpt #: 48 total cpu time spent up to now is 6.5 secs Computing kpt #: 49 total cpu time spent up to now is 6.6 secs Computing kpt #: 50 total cpu time spent up to now is 6.7 secs Computing kpt #: 51 total cpu time spent up to now is 6.8 secs Computing kpt #: 52 total cpu time spent up to now is 6.8 secs Computing kpt #: 53 total cpu time spent up to now is 6.9 secs Computing kpt #: 54 total cpu time spent up to now is 7.0 secs Computing kpt #: 55 total cpu time spent up to now is 7.1 secs Computing kpt #: 56 total cpu time spent up to now is 7.2 secs Computing kpt #: 57 total cpu time spent up to now is 7.3 secs Computing kpt #: 58 total cpu time spent up to now is 7.4 secs Computing kpt #: 59 total cpu time spent up to now is 7.5 secs Computing kpt #: 60 total cpu time spent up to now is 7.6 secs Computing kpt #: 61 total cpu time spent up to now is 7.7 secs Computing kpt #: 62 total cpu time spent up to now is 7.8 secs Computing kpt #: 63 total cpu time spent up to now is 7.9 secs Computing kpt #: 64 total cpu time spent up to now is 8.0 secs Computing kpt #: 65 total cpu time spent up to now is 8.1 secs Computing kpt #: 66 total cpu time spent up to now is 8.3 secs Computing kpt #: 67 total cpu time spent up to now is 8.4 secs Computing kpt #: 68 total cpu time spent up to now is 8.5 secs Computing kpt #: 69 total cpu time spent up to now is 8.6 secs Computing kpt #: 70 total cpu time spent up to now is 8.7 secs Computing kpt #: 71 total cpu time spent up to now is 8.8 secs Computing kpt #: 72 total cpu time spent up to now is 9.0 secs Computing kpt #: 73 total cpu time spent up to now is 9.1 secs Computing kpt #: 74 total cpu time spent up to now is 9.2 secs Computing kpt #: 75 total cpu time spent up to now is 9.3 secs Computing kpt #: 76 total cpu time spent up to now is 9.4 secs Computing kpt #: 77 total cpu time spent up to now is 9.5 secs Computing kpt #: 78 total cpu time spent up to now is 9.6 secs Computing kpt #: 79 total cpu time spent up to now is 9.7 secs Computing kpt #: 80 total cpu time spent up to now is 9.8 secs Computing kpt #: 81 total cpu time spent up to now is 9.9 secs Computing kpt #: 82 total cpu time spent up to now is 10.0 secs Computing kpt #: 83 total cpu time spent up to now is 10.1 secs Computing kpt #: 84 total cpu time spent up to now is 10.2 secs Computing kpt #: 85 total cpu time spent up to now is 10.3 secs Computing kpt #: 86 total cpu time spent up to now is 10.4 secs Computing kpt #: 87 total cpu time spent up to now is 10.5 secs Computing kpt #: 88 total cpu time spent up to now is 10.6 secs Computing kpt #: 89 total cpu time spent up to now is 10.7 secs Computing kpt #: 90 total cpu time spent up to now is 10.8 secs Computing kpt #: 91 total cpu time spent up to now is 10.9 secs Computing kpt #: 92 total cpu time spent up to now is 11.0 secs Computing kpt #: 93 total cpu time spent up to now is 11.1 secs Computing kpt #: 94 total cpu time spent up to now is 11.2 secs Computing kpt #: 95 total cpu time spent up to now is 11.3 secs Computing kpt #: 96 total cpu time spent up to now is 11.4 secs Computing kpt #: 97 total cpu time spent up to now is 11.5 secs Computing kpt #: 98 total cpu time spent up to now is 11.6 secs Computing kpt #: 99 total cpu time spent up to now is 11.7 secs Computing kpt #: 100 total cpu time spent up to now is 11.8 secs Computing kpt #: 101 total cpu time spent up to now is 11.9 secs Computing kpt #: 102 total cpu time spent up to now is 11.9 secs Computing kpt #: 103 total cpu time spent up to now is 12.0 secs Computing kpt #: 104 total cpu time spent up to now is 12.1 secs Computing kpt #: 105 total cpu time spent up to now is 12.2 secs Computing kpt #: 106 total cpu time spent up to now is 12.3 secs Computing kpt #: 107 total cpu time spent up to now is 12.4 secs Computing kpt #: 108 total cpu time spent up to now is 12.5 secs Computing kpt #: 109 total cpu time spent up to now is 12.6 secs Computing kpt #: 110 total cpu time spent up to now is 12.7 secs Computing kpt #: 111 total cpu time spent up to now is 12.7 secs Computing kpt #: 112 total cpu time spent up to now is 12.8 secs Computing kpt #: 113 total cpu time spent up to now is 12.9 secs Computing kpt #: 114 total cpu time spent up to now is 13.0 secs Computing kpt #: 115 total cpu time spent up to now is 13.1 secs Computing kpt #: 116 total cpu time spent up to now is 13.1 secs Computing kpt #: 117 total cpu time spent up to now is 13.2 secs Computing kpt #: 118 total cpu time spent up to now is 13.3 secs Computing kpt #: 119 total cpu time spent up to now is 13.4 secs Computing kpt #: 120 total cpu time spent up to now is 13.4 secs Computing kpt #: 121 total cpu time spent up to now is 13.5 secs Computing kpt #: 122 total cpu time spent up to now is 13.6 secs Computing kpt #: 123 total cpu time spent up to now is 13.7 secs Computing kpt #: 124 total cpu time spent up to now is 13.7 secs Computing kpt #: 125 total cpu time spent up to now is 13.8 secs Computing kpt #: 126 total cpu time spent up to now is 13.9 secs Computing kpt #: 127 total cpu time spent up to now is 14.0 secs Computing kpt #: 128 total cpu time spent up to now is 14.0 secs Computing kpt #: 129 total cpu time spent up to now is 14.1 secs Computing kpt #: 130 total cpu time spent up to now is 14.2 secs Computing kpt #: 131 total cpu time spent up to now is 14.2 secs Computing kpt #: 132 total cpu time spent up to now is 14.3 secs Computing kpt #: 133 total cpu time spent up to now is 14.4 secs Computing kpt #: 134 total cpu time spent up to now is 14.5 secs Computing kpt #: 135 total cpu time spent up to now is 14.5 secs Computing kpt #: 136 total cpu time spent up to now is 14.6 secs Computing kpt #: 137 total cpu time spent up to now is 14.7 secs Computing kpt #: 138 total cpu time spent up to now is 14.8 secs Computing kpt #: 139 total cpu time spent up to now is 14.8 secs Computing kpt #: 140 total cpu time spent up to now is 14.9 secs Computing kpt #: 141 total cpu time spent up to now is 15.0 secs Computing kpt #: 142 total cpu time spent up to now is 15.0 secs Computing kpt #: 143 total cpu time spent up to now is 15.1 secs Computing kpt #: 144 total cpu time spent up to now is 15.2 secs Computing kpt #: 145 total cpu time spent up to now is 15.3 secs Computing kpt #: 146 total cpu time spent up to now is 15.3 secs Computing kpt #: 147 total cpu time spent up to now is 15.4 secs Computing kpt #: 148 total cpu time spent up to now is 15.5 secs Computing kpt #: 149 total cpu time spent up to now is 15.5 secs Computing kpt #: 150 total cpu time spent up to now is 15.6 secs Computing kpt #: 151 total cpu time spent up to now is 15.7 secs Computing kpt #: 152 total cpu time spent up to now is 15.7 secs Computing kpt #: 153 total cpu time spent up to now is 15.8 secs Computing kpt #: 154 total cpu time spent up to now is 15.9 secs Computing kpt #: 155 total cpu time spent up to now is 15.9 secs Computing kpt #: 156 total cpu time spent up to now is 16.0 secs Computing kpt #: 157 total cpu time spent up to now is 16.1 secs Computing kpt #: 158 total cpu time spent up to now is 16.1 secs Computing kpt #: 159 total cpu time spent up to now is 16.2 secs Computing kpt #: 160 total cpu time spent up to now is 16.3 secs Computing kpt #: 161 total cpu time spent up to now is 16.4 secs Computing kpt #: 162 total cpu time spent up to now is 16.5 secs Computing kpt #: 163 total cpu time spent up to now is 16.5 secs Computing kpt #: 164 total cpu time spent up to now is 16.7 secs Computing kpt #: 165 total cpu time spent up to now is 16.8 secs Computing kpt #: 166 total cpu time spent up to now is 16.9 secs Computing kpt #: 167 total cpu time spent up to now is 16.9 secs Computing kpt #: 168 total cpu time spent up to now is 17.0 secs Computing kpt #: 169 total cpu time spent up to now is 17.1 secs Computing kpt #: 170 total cpu time spent up to now is 17.1 secs Computing kpt #: 171 total cpu time spent up to now is 17.2 secs Computing kpt #: 172 total cpu time spent up to now is 17.3 secs Computing kpt #: 173 total cpu time spent up to now is 17.4 secs Computing kpt #: 174 total cpu time spent up to now is 17.5 secs Computing kpt #: 175 total cpu time spent up to now is 17.5 secs Computing kpt #: 176 total cpu time spent up to now is 17.6 secs Computing kpt #: 177 total cpu time spent up to now is 17.7 secs Computing kpt #: 178 total cpu time spent up to now is 17.9 secs Computing kpt #: 179 total cpu time spent up to now is 18.0 secs Computing kpt #: 180 total cpu time spent up to now is 18.1 secs Computing kpt #: 181 total cpu time spent up to now is 18.2 secs Computing kpt #: 182 total cpu time spent up to now is 18.3 secs Computing kpt #: 183 total cpu time spent up to now is 18.4 secs Computing kpt #: 184 total cpu time spent up to now is 18.5 secs Computing kpt #: 185 total cpu time spent up to now is 18.6 secs Computing kpt #: 186 total cpu time spent up to now is 18.8 secs Computing kpt #: 187 total cpu time spent up to now is 18.9 secs Computing kpt #: 188 total cpu time spent up to now is 19.0 secs Computing kpt #: 189 total cpu time spent up to now is 19.1 secs Computing kpt #: 190 total cpu time spent up to now is 19.2 secs Computing kpt #: 191 total cpu time spent up to now is 19.3 secs Computing kpt #: 192 total cpu time spent up to now is 19.5 secs Computing kpt #: 193 total cpu time spent up to now is 19.6 secs Computing kpt #: 194 total cpu time spent up to now is 19.7 secs Computing kpt #: 195 total cpu time spent up to now is 19.8 secs Computing kpt #: 196 total cpu time spent up to now is 19.9 secs Computing kpt #: 197 total cpu time spent up to now is 20.1 secs Computing kpt #: 198 total cpu time spent up to now is 20.2 secs Computing kpt #: 199 total cpu time spent up to now is 20.3 secs Computing kpt #: 200 total cpu time spent up to now is 20.5 secs Computing kpt #: 201 total cpu time spent up to now is 20.7 secs Computing kpt #: 202 total cpu time spent up to now is 20.8 secs Computing kpt #: 203 total cpu time spent up to now is 20.9 secs Computing kpt #: 204 total cpu time spent up to now is 21.0 secs Computing kpt #: 205 total cpu time spent up to now is 21.1 secs Computing kpt #: 206 total cpu time spent up to now is 21.2 secs Computing kpt #: 207 total cpu time spent up to now is 21.3 secs Computing kpt #: 208 total cpu time spent up to now is 21.4 secs Computing kpt #: 209 total cpu time spent up to now is 21.4 secs Computing kpt #: 210 total cpu time spent up to now is 21.5 secs Computing kpt #: 211 total cpu time spent up to now is 21.6 secs Computing kpt #: 212 total cpu time spent up to now is 21.6 secs Computing kpt #: 213 total cpu time spent up to now is 21.7 secs Computing kpt #: 214 total cpu time spent up to now is 21.8 secs Computing kpt #: 215 total cpu time spent up to now is 21.9 secs Computing kpt #: 216 total cpu time spent up to now is 21.9 secs Computing kpt #: 217 total cpu time spent up to now is 22.0 secs Computing kpt #: 218 total cpu time spent up to now is 22.1 secs Computing kpt #: 219 total cpu time spent up to now is 22.1 secs Computing kpt #: 220 total cpu time spent up to now is 22.2 secs Computing kpt #: 221 total cpu time spent up to now is 22.3 secs Computing kpt #: 222 total cpu time spent up to now is 22.3 secs Computing kpt #: 223 total cpu time spent up to now is 22.4 secs Computing kpt #: 224 total cpu time spent up to now is 22.5 secs Computing kpt #: 225 total cpu time spent up to now is 22.6 secs Computing kpt #: 226 total cpu time spent up to now is 22.7 secs Computing kpt #: 227 total cpu time spent up to now is 22.8 secs Computing kpt #: 228 total cpu time spent up to now is 22.9 secs Computing kpt #: 229 total cpu time spent up to now is 22.9 secs Computing kpt #: 230 total cpu time spent up to now is 23.0 secs Computing kpt #: 231 total cpu time spent up to now is 23.1 secs Computing kpt #: 232 total cpu time spent up to now is 23.2 secs Computing kpt #: 233 total cpu time spent up to now is 23.3 secs Computing kpt #: 234 total cpu time spent up to now is 23.4 secs Computing kpt #: 235 total cpu time spent up to now is 23.5 secs Computing kpt #: 236 total cpu time spent up to now is 23.6 secs Computing kpt #: 237 total cpu time spent up to now is 23.7 secs Computing kpt #: 238 total cpu time spent up to now is 23.8 secs Computing kpt #: 239 total cpu time spent up to now is 23.9 secs Computing kpt #: 240 total cpu time spent up to now is 24.0 secs Computing kpt #: 241 total cpu time spent up to now is 24.0 secs Computing kpt #: 242 total cpu time spent up to now is 24.1 secs Computing kpt #: 243 total cpu time spent up to now is 24.2 secs Computing kpt #: 244 total cpu time spent up to now is 24.3 secs Computing kpt #: 245 total cpu time spent up to now is 24.4 secs Computing kpt #: 246 total cpu time spent up to now is 24.5 secs Computing kpt #: 247 total cpu time spent up to now is 24.5 secs Computing kpt #: 248 total cpu time spent up to now is 24.6 secs Computing kpt #: 249 total cpu time spent up to now is 24.7 secs Computing kpt #: 250 total cpu time spent up to now is 24.8 secs Computing kpt #: 251 total cpu time spent up to now is 24.9 secs Computing kpt #: 252 total cpu time spent up to now is 25.0 secs Computing kpt #: 253 total cpu time spent up to now is 25.1 secs Computing kpt #: 254 total cpu time spent up to now is 25.2 secs Computing kpt #: 255 total cpu time spent up to now is 25.3 secs Computing kpt #: 256 total cpu time spent up to now is 25.4 secs Computing kpt #: 257 total cpu time spent up to now is 25.5 secs Computing kpt #: 258 total cpu time spent up to now is 25.6 secs Computing kpt #: 259 total cpu time spent up to now is 25.6 secs Computing kpt #: 260 total cpu time spent up to now is 25.7 secs Computing kpt #: 261 total cpu time spent up to now is 25.8 secs Computing kpt #: 262 total cpu time spent up to now is 25.9 secs Computing kpt #: 263 total cpu time spent up to now is 26.0 secs Computing kpt #: 264 total cpu time spent up to now is 26.1 secs Computing kpt #: 265 total cpu time spent up to now is 26.2 secs Computing kpt #: 266 total cpu time spent up to now is 26.3 secs Computing kpt #: 267 total cpu time spent up to now is 26.4 secs Computing kpt #: 268 total cpu time spent up to now is 26.5 secs Computing kpt #: 269 total cpu time spent up to now is 26.6 secs Computing kpt #: 270 total cpu time spent up to now is 26.7 secs Computing kpt #: 271 total cpu time spent up to now is 26.8 secs Computing kpt #: 272 total cpu time spent up to now is 26.9 secs Computing kpt #: 273 total cpu time spent up to now is 27.0 secs Computing kpt #: 274 total cpu time spent up to now is 27.1 secs Computing kpt #: 275 total cpu time spent up to now is 27.2 secs Computing kpt #: 276 total cpu time spent up to now is 27.3 secs Computing kpt #: 277 total cpu time spent up to now is 27.4 secs Computing kpt #: 278 total cpu time spent up to now is 27.5 secs Computing kpt #: 279 total cpu time spent up to now is 27.6 secs Computing kpt #: 280 total cpu time spent up to now is 27.7 secs Computing kpt #: 281 total cpu time spent up to now is 27.8 secs Computing kpt #: 282 total cpu time spent up to now is 27.9 secs Computing kpt #: 283 total cpu time spent up to now is 28.0 secs Computing kpt #: 284 total cpu time spent up to now is 28.0 secs Computing kpt #: 285 total cpu time spent up to now is 28.1 secs Computing kpt #: 286 total cpu time spent up to now is 28.2 secs Computing kpt #: 287 total cpu time spent up to now is 28.3 secs Computing kpt #: 288 total cpu time spent up to now is 28.4 secs Computing kpt #: 289 total cpu time spent up to now is 28.5 secs Computing kpt #: 290 total cpu time spent up to now is 28.6 secs Computing kpt #: 291 total cpu time spent up to now is 28.7 secs Computing kpt #: 292 total cpu time spent up to now is 28.8 secs Computing kpt #: 293 total cpu time spent up to now is 28.9 secs Computing kpt #: 294 total cpu time spent up to now is 29.0 secs Computing kpt #: 295 total cpu time spent up to now is 29.1 secs Computing kpt #: 296 total cpu time spent up to now is 29.2 secs Computing kpt #: 297 total cpu time spent up to now is 29.3 secs Computing kpt #: 298 total cpu time spent up to now is 29.4 secs Computing kpt #: 299 total cpu time spent up to now is 29.5 secs Computing kpt #: 300 total cpu time spent up to now is 29.6 secs Computing kpt #: 301 total cpu time spent up to now is 29.7 secs Computing kpt #: 302 total cpu time spent up to now is 29.8 secs Computing kpt #: 303 total cpu time spent up to now is 29.9 secs Computing kpt #: 304 total cpu time spent up to now is 30.0 secs Computing kpt #: 305 total cpu time spent up to now is 30.1 secs Computing kpt #: 306 total cpu time spent up to now is 30.2 secs Computing kpt #: 307 total cpu time spent up to now is 30.3 secs Computing kpt #: 308 total cpu time spent up to now is 30.3 secs Computing kpt #: 309 total cpu time spent up to now is 30.4 secs Computing kpt #: 310 total cpu time spent up to now is 30.5 secs Computing kpt #: 311 total cpu time spent up to now is 30.6 secs Computing kpt #: 312 total cpu time spent up to now is 30.6 secs Computing kpt #: 313 total cpu time spent up to now is 30.7 secs Computing kpt #: 314 total cpu time spent up to now is 30.8 secs Computing kpt #: 315 total cpu time spent up to now is 30.8 secs Computing kpt #: 316 total cpu time spent up to now is 30.9 secs Computing kpt #: 317 total cpu time spent up to now is 31.0 secs Computing kpt #: 318 total cpu time spent up to now is 31.1 secs Computing kpt #: 319 total cpu time spent up to now is 31.1 secs Computing kpt #: 320 total cpu time spent up to now is 31.2 secs Computing kpt #: 321 total cpu time spent up to now is 31.3 secs Computing kpt #: 322 total cpu time spent up to now is 31.4 secs Computing kpt #: 323 total cpu time spent up to now is 31.5 secs Computing kpt #: 324 total cpu time spent up to now is 31.5 secs Computing kpt #: 325 total cpu time spent up to now is 31.6 secs Computing kpt #: 326 total cpu time spent up to now is 31.7 secs Computing kpt #: 327 total cpu time spent up to now is 31.8 secs Computing kpt #: 328 total cpu time spent up to now is 31.9 secs Computing kpt #: 329 total cpu time spent up to now is 32.0 secs Computing kpt #: 330 total cpu time spent up to now is 32.1 secs Computing kpt #: 331 total cpu time spent up to now is 32.2 secs Computing kpt #: 332 total cpu time spent up to now is 32.3 secs Computing kpt #: 333 total cpu time spent up to now is 32.4 secs Computing kpt #: 334 total cpu time spent up to now is 32.5 secs Computing kpt #: 335 total cpu time spent up to now is 32.6 secs Computing kpt #: 336 total cpu time spent up to now is 32.6 secs Computing kpt #: 337 total cpu time spent up to now is 32.7 secs Computing kpt #: 338 total cpu time spent up to now is 32.8 secs Computing kpt #: 339 total cpu time spent up to now is 32.9 secs Computing kpt #: 340 total cpu time spent up to now is 33.0 secs Computing kpt #: 341 total cpu time spent up to now is 33.1 secs Computing kpt #: 342 total cpu time spent up to now is 33.2 secs Computing kpt #: 343 total cpu time spent up to now is 33.3 secs Computing kpt #: 344 total cpu time spent up to now is 33.3 secs Computing kpt #: 345 total cpu time spent up to now is 33.4 secs Computing kpt #: 346 total cpu time spent up to now is 33.5 secs Computing kpt #: 347 total cpu time spent up to now is 33.6 secs Computing kpt #: 348 total cpu time spent up to now is 33.7 secs Computing kpt #: 349 total cpu time spent up to now is 33.8 secs Computing kpt #: 350 total cpu time spent up to now is 33.9 secs Computing kpt #: 351 total cpu time spent up to now is 34.0 secs Computing kpt #: 352 total cpu time spent up to now is 34.1 secs Computing kpt #: 353 total cpu time spent up to now is 34.2 secs Computing kpt #: 354 total cpu time spent up to now is 34.3 secs Computing kpt #: 355 total cpu time spent up to now is 34.4 secs Computing kpt #: 356 total cpu time spent up to now is 34.6 secs Computing kpt #: 357 total cpu time spent up to now is 34.7 secs Computing kpt #: 358 total cpu time spent up to now is 34.8 secs Computing kpt #: 359 total cpu time spent up to now is 34.9 secs Computing kpt #: 360 total cpu time spent up to now is 35.0 secs Computing kpt #: 361 total cpu time spent up to now is 35.1 secs Computing kpt #: 362 total cpu time spent up to now is 35.2 secs Computing kpt #: 363 total cpu time spent up to now is 35.3 secs Computing kpt #: 364 total cpu time spent up to now is 35.4 secs Computing kpt #: 365 total cpu time spent up to now is 35.5 secs Computing kpt #: 366 total cpu time spent up to now is 35.6 secs Computing kpt #: 367 total cpu time spent up to now is 35.7 secs Computing kpt #: 368 total cpu time spent up to now is 35.7 secs Computing kpt #: 369 total cpu time spent up to now is 35.8 secs Computing kpt #: 370 total cpu time spent up to now is 35.9 secs ethr = 6.25E-08, avg # of iterations = 16.1 total cpu time spent up to now is 35.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1243 PWs) bands (ev): -32.4334 -32.4334 -13.3594 -13.3594 -11.9117 -11.9117 -11.9117 -11.9117 -0.7872 -0.7872 9.9214 9.9214 10.0222 10.0222 10.0222 10.0222 11.0945 11.0945 11.0945 11.0945 11.1356 11.1356 11.8218 11.8218 k = 0.0089-0.0052 0.0073 ( 1243 PWs) bands (ev): -32.4334 -32.4334 -13.3595 -13.3595 -11.9119 -11.9119 -11.9118 -11.9118 -0.7858 -0.7858 9.9118 9.9118 10.0078 10.0078 10.0164 10.0164 11.0952 11.0952 11.1027 11.1027 11.1408 11.1408 11.8225 11.8225 k = 0.0179-0.0103 0.0146 ( 1243 PWs) bands (ev): -32.4333 -32.4333 -13.3598 -13.3598 -11.9124 -11.9124 -11.9120 -11.9120 -0.7818 -0.7818 9.8793 9.8793 9.9710 9.9710 9.9997 9.9997 11.0928 11.0928 11.1268 11.1268 11.1605 11.1605 11.8247 11.8247 k = 0.0268-0.0155 0.0219 ( 1243 PWs) bands (ev): -32.4332 -32.4332 -13.3603 -13.3603 -11.9133 -11.9133 -11.9123 -11.9123 -0.7751 -0.7751 9.8154 9.8154 9.9271 9.9271 9.9734 9.9734 11.0837 11.0837 11.1653 11.1653 11.1967 11.1967 11.8284 11.8284 k = 0.0357-0.0206 0.0292 ( 1243 PWs) bands (ev): -32.4331 -32.4331 -13.3609 -13.3609 -11.9145 -11.9145 -11.9129 -11.9129 -0.7658 -0.7658 9.7204 9.7204 9.8841 9.8841 9.9394 9.9394 11.0686 11.0686 11.2164 11.2164 11.2471 11.2471 11.8335 11.8335 k = 0.0446-0.0258 0.0365 ( 1243 PWs) bands (ev): -32.4329 -32.4329 -13.3618 -13.3618 -11.9161 -11.9161 -11.9135 -11.9135 -0.7539 -0.7539 9.6041 9.6041 9.8403 9.8403 9.8995 9.8995 11.0486 11.0486 11.2783 11.2783 11.3090 11.3090 11.8401 11.8401 k = 0.0536-0.0309 0.0437 ( 1243 PWs) bands (ev): -32.4327 -32.4327 -13.3629 -13.3629 -11.9180 -11.9180 -11.9143 -11.9143 -0.7395 -0.7395 9.4744 9.4744 9.7944 9.7944 9.8555 9.8555 11.0241 11.0241 11.3491 11.3491 11.3801 11.3801 11.8481 11.8481 k = 0.0625-0.0361 0.0510 ( 1251 PWs) bands (ev): -32.4325 -32.4325 -13.3641 -13.3641 -11.9202 -11.9202 -11.9152 -11.9152 -0.7226 -0.7226 9.3362 9.3362 9.7468 9.7468 9.8089 9.8089 10.9954 10.9954 11.4275 11.4275 11.4589 11.4589 11.8576 11.8576 k = 0.0714-0.0412 0.0583 ( 1251 PWs) bands (ev): -32.4322 -32.4322 -13.3655 -13.3655 -11.9227 -11.9227 -11.9163 -11.9163 -0.7034 -0.7034 9.1929 9.1929 9.6980 9.6980 9.7607 9.7607 10.9629 10.9629 11.5123 11.5123 11.5440 11.5440 11.8686 11.8686 k = 0.0804-0.0464 0.0656 ( 1255 PWs) bands (ev): -32.4320 -32.4320 -13.3671 -13.3671 -11.9256 -11.9256 -11.9174 -11.9174 -0.6818 -0.6818 9.0469 9.0469 9.6487 9.6487 9.7119 9.7119 10.9270 10.9270 11.6024 11.6024 11.6343 11.6343 11.8811 11.8811 k = 0.0893-0.0515 0.0729 ( 1255 PWs) bands (ev): -32.4316 -32.4316 -13.3688 -13.3688 -11.9287 -11.9287 -11.9188 -11.9188 -0.6581 -0.6581 8.9000 8.9000 9.5994 9.5994 9.6631 9.6631 10.8878 10.8878 11.6971 11.6971 11.7289 11.7289 11.8954 11.8954 k = 0.0982-0.0567 0.0802 ( 1263 PWs) bands (ev): -32.4313 -32.4313 -13.3707 -13.3707 -11.9321 -11.9321 -11.9202 -11.9202 -0.6324 -0.6324 8.7534 8.7534 9.5507 9.5507 9.6149 9.6149 10.8458 10.8458 11.7958 11.7958 11.8258 11.8258 11.9125 11.9125 k = 0.1071-0.0619 0.0875 ( 1271 PWs) bands (ev): -32.4310 -32.4310 -13.3728 -13.3728 -11.9357 -11.9357 -11.9218 -11.9218 -0.6047 -0.6047 8.6081 8.6081 9.5028 9.5028 9.5676 9.5676 10.8011 10.8011 11.8980 11.8980 11.9086 11.9086 11.9487 11.9487 k = 0.1161-0.0670 0.0948 ( 1271 PWs) bands (ev): -32.4305 -32.4305 -13.3750 -13.3750 -11.9396 -11.9396 -11.9234 -11.9234 -0.5752 -0.5752 8.4651 8.4651 9.4561 9.4561 9.5216 9.5216 10.7541 10.7541 11.9377 11.9377 12.0031 12.0031 12.0426 12.0426 k = 0.1250-0.0722 0.1021 ( 1267 PWs) bands (ev): -32.4301 -32.4301 -13.3773 -13.3773 -11.9437 -11.9437 -11.9252 -11.9252 -0.5441 -0.5441 8.3249 8.3249 9.4109 9.4109 9.4770 9.4770 10.7052 10.7052 11.9581 11.9581 12.1107 12.1107 12.1491 12.1491 k = 0.1339-0.0773 0.1094 ( 1275 PWs) bands (ev): -32.4296 -32.4296 -13.3798 -13.3798 -11.9480 -11.9480 -11.9271 -11.9271 -0.5115 -0.5115 8.1881 8.1881 9.3671 9.3671 9.4340 9.4340 10.6545 10.6545 11.9787 11.9787 12.2205 12.2205 12.2589 12.2589 k = 0.1429-0.0825 0.1166 ( 1275 PWs) bands (ev): -32.4291 -32.4291 -13.3824 -13.3824 -11.9525 -11.9525 -11.9290 -11.9290 -0.4777 -0.4777 8.0552 8.0552 9.3251 9.3251 9.3928 9.3928 10.6024 10.6024 12.0000 12.0000 12.3322 12.3322 12.3708 12.3708 k = 0.1518-0.0876 0.1239 ( 1275 PWs) bands (ev): -32.4286 -32.4286 -13.3851 -13.3851 -11.9571 -11.9571 -11.9311 -11.9311 -0.4427 -0.4427 7.9266 7.9266 9.2849 9.2849 9.3534 9.3534 10.5492 10.5492 12.0224 12.0224 12.4453 12.4453 12.4844 12.4844 k = 0.1607-0.0928 0.1312 ( 1275 PWs) bands (ev): -32.4280 -32.4280 -13.3879 -13.3879 -11.9619 -11.9619 -11.9333 -11.9333 -0.4069 -0.4069 7.8027 7.8027 9.2466 9.2466 9.3160 9.3160 10.4950 10.4950 12.0458 12.0458 12.5596 12.5596 12.5992 12.5992 k = 0.1696-0.0979 0.1385 ( 1267 PWs) bands (ev): -32.4274 -32.4274 -13.3907 -13.3907 -11.9668 -11.9668 -11.9355 -11.9355 -0.3703 -0.3703 7.6839 7.6839 9.2101 9.2101 9.2805 9.2805 10.4402 10.4402 12.0701 12.0701 12.6746 12.6746 12.7149 12.7149 k = 0.1786-0.1031 0.1458 ( 1283 PWs) bands (ev): -32.4269 -32.4269 -13.3937 -13.3937 -11.9718 -11.9718 -11.9378 -11.9378 -0.3333 -0.3333 7.5704 7.5704 9.1756 9.1756 9.2471 9.2471 10.3849 10.3849 12.0954 12.0954 12.7901 12.7901 12.8311 12.8311 k = 0.1875-0.1083 0.1531 ( 1283 PWs) bands (ev): -32.4263 -32.4263 -13.3967 -13.3967 -11.9769 -11.9769 -11.9401 -11.9401 -0.2960 -0.2960 7.4625 7.4625 9.1431 9.1431 9.2156 9.2156 10.3293 10.3293 12.1216 12.1216 12.9056 12.9056 12.9475 12.9475 k = 0.1964-0.1134 0.1604 ( 1295 PWs) bands (ev): -32.4258 -32.4258 -13.3998 -13.3998 -11.9820 -11.9820 -11.9426 -11.9426 -0.2587 -0.2587 7.3605 7.3605 9.1125 9.1125 9.1861 9.1861 10.2738 10.2738 12.1486 12.1486 13.0208 13.0208 13.0635 13.0635 k = 0.2054-0.1186 0.1677 ( 1291 PWs) bands (ev): -32.4251 -32.4251 -13.4029 -13.4029 -11.9872 -11.9872 -11.9450 -11.9450 -0.2215 -0.2215 7.2646 7.2646 9.0839 9.0839 9.1587 9.1587 10.2184 10.2184 12.1764 12.1764 13.1351 13.1351 13.1788 13.1788 k = 0.2143-0.1237 0.1750 ( 1283 PWs) bands (ev): -32.4244 -32.4244 -13.4061 -13.4061 -11.9924 -11.9924 -11.9475 -11.9475 -0.1847 -0.1847 7.1750 7.1750 9.0572 9.0572 9.1332 9.1332 10.1633 10.1633 12.2049 12.2049 13.2482 13.2482 13.2930 13.2930 k = 0.2232-0.1289 0.1823 ( 1279 PWs) bands (ev): -32.4238 -32.4238 -13.4093 -13.4093 -11.9976 -11.9976 -11.9500 -11.9500 -0.1486 -0.1486 7.0919 7.0919 9.0325 9.0325 9.1097 9.1097 10.1087 10.1087 12.2341 12.2341 13.3595 13.3595 13.4056 13.4056 k = 0.2321-0.1340 0.1895 ( 1283 PWs) bands (ev): -32.4231 -32.4231 -13.4125 -13.4125 -12.0028 -12.0028 -11.9526 -11.9526 -0.1133 -0.1133 7.0155 7.0155 9.0097 9.0097 9.0881 9.0881 10.0547 10.0547 12.2638 12.2638 13.4685 13.4685 13.5159 13.5159 k = 0.2411-0.1392 0.1968 ( 1283 PWs) bands (ev): -32.4225 -32.4225 -13.4157 -13.4157 -12.0080 -12.0080 -11.9552 -11.9552 -0.0790 -0.0790 6.9459 6.9459 8.9886 8.9886 9.0683 9.0683 10.0015 10.0015 12.2940 12.2940 13.5746 13.5746 13.6237 13.6237 k = 0.2500-0.1443 0.2041 ( 1283 PWs) bands (ev): -32.4218 -32.4218 -13.4188 -13.4188 -12.0131 -12.0131 -11.9577 -11.9577 -0.0459 -0.0459 6.8831 6.8831 8.9694 8.9694 9.0504 9.0504 9.9492 9.9492 12.3246 12.3246 13.6773 13.6773 13.7282 13.7282 k = 0.2589-0.1495 0.2114 ( 1283 PWs) bands (ev): -32.4212 -32.4212 -13.4220 -13.4220 -12.0181 -12.0181 -11.9603 -11.9603 -0.0143 -0.0143 6.8273 6.8273 8.9520 8.9520 9.0342 9.0342 9.8980 9.8980 12.3555 12.3555 13.7759 13.7760 13.8289 13.8289 k = 0.2679-0.1546 0.2187 ( 1283 PWs) bands (ev): -32.4205 -32.4205 -13.4252 -13.4252 -12.0231 -12.0231 -11.9629 -11.9629 0.0157 0.0157 6.7785 6.7785 8.9362 8.9362 9.0198 9.0198 9.8478 9.8478 12.3866 12.3866 13.8699 13.8699 13.9252 13.9252 k = 0.2768-0.1598 0.2260 ( 1275 PWs) bands (ev): -32.4198 -32.4198 -13.4283 -13.4283 -12.0280 -12.0280 -11.9654 -11.9654 0.0441 0.0441 6.7367 6.7367 8.9221 8.9221 9.0070 9.0070 9.7989 9.7989 12.4179 12.4179 13.9587 13.9587 14.0167 14.0167 k = 0.2857-0.1650 0.2333 ( 1275 PWs) bands (ev): -32.4192 -32.4192 -13.4314 -13.4314 -12.0328 -12.0328 -11.9680 -11.9680 0.0706 0.0706 6.7017 6.7017 8.9095 8.9095 8.9957 8.9957 9.7513 9.7513 12.4491 12.4491 14.0418 14.0418 14.1027 14.1027 k = 0.2946-0.1701 0.2406 ( 1267 PWs) bands (ev): -32.4185 -32.4185 -13.4344 -13.4344 -12.0375 -12.0375 -11.9705 -11.9705 0.0952 0.0952 6.6736 6.6736 8.8984 8.8984 8.9859 8.9859 9.7051 9.7051 12.4804 12.4804 14.1190 14.1190 14.1829 14.1829 k = 0.3036-0.1753 0.2479 ( 1267 PWs) bands (ev): -32.4178 -32.4178 -13.4373 -13.4373 -12.0420 -12.0420 -11.9729 -11.9729 0.1179 0.1179 6.6521 6.6521 8.8887 8.8887 8.9776 8.9776 9.6605 9.6605 12.5114 12.5114 14.1904 14.1904 14.2567 14.2567 k = 0.3125-0.1804 0.2552 ( 1267 PWs) bands (ev): -32.4172 -32.4172 -13.4402 -13.4402 -12.0464 -12.0464 -11.9753 -11.9753 0.1385 0.1385 6.6371 6.6371 8.8803 8.8803 8.9705 8.9705 9.6173 9.6173 12.5422 12.5422 14.2559 14.2559 14.3239 14.3239 k = 0.3214-0.1856 0.2624 ( 1266 PWs) bands (ev): -32.4166 -32.4166 -13.4430 -13.4430 -12.0506 -12.0506 -11.9777 -11.9777 0.1571 0.1571 6.6283 6.6283 8.8732 8.8732 8.9647 8.9647 9.5758 9.5758 12.5725 12.5725 14.3157 14.3157 14.3844 14.3844 k = 0.3304-0.1907 0.2697 ( 1266 PWs) bands (ev): -32.4161 -32.4161 -13.4457 -13.4457 -12.0547 -12.0547 -11.9799 -11.9799 0.1736 0.1736 6.6253 6.6253 8.8673 8.8673 8.9601 8.9601 9.5360 9.5360 12.6024 12.6024 14.3695 14.3695 14.4379 14.4379 k = 0.3393-0.1959 0.2770 ( 1266 PWs) bands (ev): -32.4155 -32.4155 -13.4483 -13.4483 -12.0586 -12.0586 -11.9822 -11.9822 0.1883 0.1883 6.6279 6.6279 8.8624 8.8624 8.9565 8.9565 9.4980 9.4980 12.6316 12.6316 14.4170 14.4170 14.4845 14.4845 k = 0.3482-0.2010 0.2843 ( 1266 PWs) bands (ev): -32.4149 -32.4149 -13.4508 -13.4508 -12.0624 -12.0624 -11.9843 -11.9843 0.2010 0.2010 6.6355 6.6355 8.8585 8.8585 8.9538 8.9538 9.4617 9.4617 12.6602 12.6602 14.4581 14.4581 14.5245 14.5245 k = 0.3571-0.2062 0.2916 ( 1258 PWs) bands (ev): -32.4144 -32.4144 -13.4532 -13.4532 -12.0659 -12.0659 -11.9864 -11.9864 0.2120 0.2120 6.6478 6.6478 8.8555 8.8555 8.9520 8.9520 9.4273 9.4273 12.6878 12.6878 14.4929 14.4929 14.5581 14.5581 k = 0.3661-0.2114 0.2989 ( 1258 PWs) bands (ev): -32.4139 -32.4139 -13.4555 -13.4555 -12.0693 -12.0693 -11.9883 -11.9883 0.2212 0.2212 6.6641 6.6641 8.8533 8.8533 8.9509 8.9509 9.3948 9.3948 12.7146 12.7146 14.5216 14.5216 14.5857 14.5857 k = 0.3750-0.2165 0.3062 ( 1254 PWs) bands (ev): -32.4134 -32.4134 -13.4576 -13.4576 -12.0725 -12.0725 -11.9902 -11.9902 0.2289 0.2289 6.6840 6.6840 8.8518 8.8518 8.9506 8.9506 9.3642 9.3642 12.7402 12.7402 14.5446 14.5446 14.6077 14.6077 k = 0.3839-0.2217 0.3135 ( 1262 PWs) bands (ev): -32.4130 -32.4130 -13.4596 -13.4596 -12.0755 -12.0755 -11.9920 -11.9920 0.2352 0.2352 6.7067 6.7067 8.8509 8.8509 8.9507 8.9507 9.3356 9.3356 12.7647 12.7647 14.5626 14.5626 14.6248 14.6248 k = 0.3929-0.2268 0.3208 ( 1258 PWs) bands (ev): -32.4125 -32.4125 -13.4615 -13.4615 -12.0782 -12.0782 -11.9936 -11.9936 0.2403 0.2403 6.7318 6.7318 8.8506 8.8506 8.9513 8.9513 9.3089 9.3089 12.7878 12.7878 14.5760 14.5760 14.6376 14.6376 k = 0.4018-0.2320 0.3281 ( 1258 PWs) bands (ev): -32.4121 -32.4121 -13.4633 -13.4633 -12.0808 -12.0808 -11.9952 -11.9952 0.2442 0.2442 6.7584 6.7584 8.8506 8.8506 8.9523 8.9523 9.2843 9.2843 12.8096 12.8096 14.5856 14.5856 14.6337 14.6337 k = 0.4107-0.2371 0.3353 ( 1258 PWs) bands (ev): -32.4118 -32.4118 -13.4649 -13.4649 -12.0831 -12.0831 -11.9966 -11.9966 0.2472 0.2472 6.7860 6.7860 8.8510 8.8510 8.9536 8.9536 9.2618 9.2618 12.8299 12.8299 14.5897 14.5897 14.5964 14.5964 k = 0.4196-0.2423 0.3426 ( 1258 PWs) bands (ev): -32.4114 -32.4114 -13.4664 -13.4664 -12.0853 -12.0853 -11.9979 -11.9979 0.2493 0.2493 6.8137 6.8137 8.8517 8.8517 8.9550 8.9550 9.2413 9.2413 12.8485 12.8485 14.5421 14.5421 14.5963 14.5963 k = 0.4286-0.2474 0.3499 ( 1266 PWs) bands (ev): -32.4112 -32.4112 -13.4677 -13.4677 -12.0872 -12.0872 -11.9991 -11.9991 0.2508 0.2508 6.8409 6.8409 8.8525 8.8525 8.9566 8.9566 9.2229 9.2229 12.8655 12.8655 14.4831 14.4831 14.5980 14.5980 k = 0.4375-0.2526 0.3572 ( 1266 PWs) bands (ev): -32.4109 -32.4109 -13.4689 -13.4689 -12.0889 -12.0889 -12.0001 -12.0001 0.2518 0.2518 6.8669 6.8669 8.8534 8.8534 8.9581 8.9581 9.2067 9.2067 12.8806 12.8806 14.4216 14.4216 14.5983 14.5983 k = 0.4464-0.2577 0.3645 ( 1262 PWs) bands (ev): -32.4107 -32.4107 -13.4699 -13.4699 -12.0904 -12.0904 -12.0010 -12.0010 0.2523 0.2523 6.8910 6.8910 8.8544 8.8544 8.9597 8.9597 9.1926 9.1926 12.8940 12.8940 14.3616 14.3616 14.5976 14.5976 k = 0.4554-0.2629 0.3718 ( 1262 PWs) bands (ev): -32.4105 -32.4105 -13.4708 -13.4708 -12.0916 -12.0916 -12.0018 -12.0018 0.2526 0.2526 6.9126 6.9126 8.8553 8.8553 8.9611 8.9611 9.1806 9.1806 12.9054 12.9054 14.3064 14.3064 14.5963 14.5963 k = 0.4643-0.2681 0.3791 ( 1262 PWs) bands (ev): -32.4103 -32.4103 -13.4715 -13.4715 -12.0926 -12.0926 -12.0025 -12.0025 0.2527 0.2527 6.9312 6.9312 8.8561 8.8561 8.9623 8.9623 9.1708 9.1708 12.9148 12.9148 14.2585 14.2585 14.5948 14.5948 k = 0.4732-0.2732 0.3864 ( 1250 PWs) bands (ev): -32.4101 -32.4101 -13.4721 -13.4721 -12.0934 -12.0934 -12.0030 -12.0030 0.2527 0.2527 6.9461 6.9461 8.8568 8.8568 8.9633 8.9633 9.1632 9.1632 12.9221 12.9221 14.2197 14.2197 14.5933 14.5933 k = 0.4821-0.2784 0.3937 ( 1250 PWs) bands (ev): -32.4100 -32.4100 -13.4725 -13.4725 -12.0940 -12.0940 -12.0033 -12.0033 0.2526 0.2526 6.9571 6.9571 8.8574 8.8574 8.9640 8.9640 9.1577 9.1577 12.9274 12.9274 14.1911 14.1911 14.5920 14.5920 k = 0.4911-0.2835 0.4010 ( 1250 PWs) bands (ev): -32.4099 -32.4099 -13.4727 -13.4727 -12.0943 -12.0943 -12.0035 -12.0035 0.2526 0.2526 6.9639 6.9639 8.8577 8.8577 8.9645 8.9645 9.1544 9.1544 12.9306 12.9306 14.1736 14.1736 14.5912 14.5912 k = 0.5000-0.2887 0.4082 ( 1266 PWs) bands (ev): -32.4100 -32.4100 -13.4728 -13.4728 -12.0944 -12.0944 -12.0036 -12.0036 0.2525 0.2525 6.9661 6.9661 8.8578 8.8578 8.9646 8.9646 9.1533 9.1533 12.9317 12.9317 14.1677 14.1677 14.5909 14.5909 k = 0.5000-0.2887 0.4082 ( 1266 PWs) bands (ev): -32.4100 -32.4100 -13.4728 -13.4728 -12.0944 -12.0944 -12.0036 -12.0036 0.2525 0.2525 6.9661 6.9661 8.8578 8.8578 8.9646 8.9646 9.1533 9.1533 12.9317 12.9317 14.1677 14.1677 14.5909 14.5909 k = 0.5000-0.2784 0.4155 ( 1252 PWs) bands (ev): -32.4099 -32.4099 -13.4728 -13.4728 -12.0944 -12.0944 -12.0037 -12.0037 0.2534 0.2534 6.9664 6.9664 8.8394 8.8394 8.9428 8.9428 9.1892 9.1892 12.9374 12.9374 14.1715 14.1715 14.5899 14.5899 k = 0.5000-0.2681 0.4228 ( 1252 PWs) bands (ev): -32.4099 -32.4099 -13.4728 -13.4728 -12.0943 -12.0943 -12.0039 -12.0039 0.2559 0.2559 6.9673 6.9673 8.7875 8.7875 8.9046 8.9046 9.2663 9.2663 12.9544 12.9544 14.1828 14.1828 14.5867 14.5867 k = 0.5000-0.2577 0.4301 ( 1252 PWs) bands (ev): -32.4099 -32.4099 -13.4728 -13.4728 -12.0941 -12.0941 -12.0043 -12.0043 0.2601 0.2601 6.9689 6.9689 8.7167 8.7167 8.8628 8.8628 9.3581 9.3581 12.9814 12.9814 14.2017 14.2017 14.5804 14.5804 k = 0.5000-0.2474 0.4374 ( 1260 PWs) bands (ev): -32.4100 -32.4100 -13.4728 -13.4728 -12.0938 -12.0938 -12.0048 -12.0048 0.2659 0.2659 6.9711 6.9711 8.6392 8.6392 8.8136 8.8136 9.4571 9.4571 13.0170 13.0170 14.2280 14.2280 14.5700 14.5700 k = 0.5000-0.2371 0.4447 ( 1260 PWs) bands (ev): -32.4100 -32.4100 -13.4729 -13.4729 -12.0934 -12.0934 -12.0055 -12.0055 0.2733 0.2733 6.9739 6.9739 8.5603 8.5603 8.7556 8.7556 9.5608 9.5608 13.0591 13.0591 14.2617 14.2617 14.5544 14.5544 k = 0.5000-0.2268 0.4520 ( 1264 PWs) bands (ev): -32.4100 -32.4100 -13.4729 -13.4729 -12.0930 -12.0930 -12.0062 -12.0062 0.2821 0.2821 6.9775 6.9775 8.4820 8.4820 8.6894 8.6894 9.6681 9.6681 13.1055 13.1055 14.3022 14.3022 14.5332 14.5332 k = 0.5000-0.2165 0.4593 ( 1264 PWs) bands (ev): -32.4100 -32.4100 -13.4729 -13.4729 -12.0924 -12.0924 -12.0072 -12.0072 0.2923 0.2923 6.9817 6.9817 8.4051 8.4051 8.6162 8.6162 9.7785 9.7785 13.1543 13.1543 14.3483 14.3483 14.5063 14.5063 k = 0.5000-0.2062 0.4666 ( 1264 PWs) bands (ev): -32.4100 -32.4100 -13.4730 -13.4730 -12.0918 -12.0918 -12.0082 -12.0082 0.3039 0.3039 6.9866 6.9866 8.3301 8.3301 8.5373 8.5373 9.8918 9.8918 13.2033 13.2033 14.3971 14.3971 14.4749 14.4749 k = 0.5000-0.1959 0.4739 ( 1264 PWs) bands (ev): -32.4100 -32.4100 -13.4730 -13.4730 -12.0911 -12.0911 -12.0094 -12.0094 0.3166 0.3166 6.9923 6.9923 8.2571 8.2571 8.4542 8.4542 10.0077 10.0077 13.2513 13.2513 14.4211 14.4211 14.4642 14.4642 k = 0.5000-0.1856 0.4811 ( 1260 PWs) bands (ev): -32.4100 -32.4100 -13.4730 -13.4730 -12.0904 -12.0904 -12.0107 -12.0107 0.3303 0.3303 6.9988 6.9988 8.1862 8.1862 8.3683 8.3683 10.1261 10.1261 13.2970 13.2970 14.3818 14.3818 14.5094 14.5094 k = 0.5000-0.1753 0.4884 ( 1260 PWs) bands (ev): -32.4100 -32.4100 -13.4731 -13.4731 -12.0896 -12.0896 -12.0120 -12.0120 0.3449 0.3449 7.0061 7.0061 8.1175 8.1175 8.2809 8.2809 10.2469 10.2469 13.3399 13.3399 14.3301 14.3301 14.5546 14.5546 k = 0.5000-0.1650 0.4957 ( 1262 PWs) bands (ev): -32.4100 -32.4100 -13.4731 -13.4731 -12.0887 -12.0887 -12.0135 -12.0135 0.3602 0.3602 7.0143 7.0143 8.0510 8.0510 8.1932 8.1932 10.3699 10.3699 13.3797 13.3797 14.2710 14.2710 14.5873 14.5873 k = 0.5000-0.1546 0.5030 ( 1258 PWs) bands (ev): -32.4099 -32.4099 -13.4732 -13.4732 -12.0877 -12.0877 -12.0150 -12.0150 0.3760 0.3760 7.0234 7.0234 7.9866 7.9866 8.1064 8.1064 10.4951 10.4951 13.4163 13.4163 14.2049 14.2049 14.6036 14.6036 k = 0.5000-0.1443 0.5103 ( 1250 PWs) bands (ev): -32.4099 -32.4099 -13.4732 -13.4732 -12.0867 -12.0867 -12.0167 -12.0167 0.3922 0.3922 7.0334 7.0334 7.9240 7.9240 8.0217 8.0217 10.6224 10.6224 13.4499 13.4499 14.1320 14.1320 14.6104 14.6104 k = 0.5000-0.1340 0.5176 ( 1254 PWs) bands (ev): -32.4099 -32.4099 -13.4732 -13.4732 -12.0856 -12.0856 -12.0183 -12.0183 0.4086 0.4086 7.0445 7.0445 7.8629 7.8629 7.9402 7.9402 10.7515 10.7515 13.4806 13.4806 14.0522 14.0522 14.6137 14.6137 k = 0.5000-0.1237 0.5249 ( 1258 PWs) bands (ev): -32.4099 -32.4099 -13.4733 -13.4733 -12.0845 -12.0845 -12.0200 -12.0200 0.4249 0.4249 7.0566 7.0566 7.8027 7.8027 7.8635 7.8635 10.8825 10.8825 13.5086 13.5086 13.9658 13.9658 14.6155 14.6155 k = 0.5000-0.1134 0.5322 ( 1250 PWs) bands (ev): -32.4099 -32.4099 -13.4733 -13.4733 -12.0833 -12.0833 -12.0217 -12.0217 0.4409 0.4409 7.0698 7.0698 7.7421 7.7421 7.7933 7.7933 11.0152 11.0152 13.5341 13.5341 13.8730 13.8730 14.6167 14.6167 k = 0.5000-0.1031 0.5395 ( 1250 PWs) bands (ev): -32.4099 -32.4099 -13.4734 -13.4734 -12.0822 -12.0822 -12.0234 -12.0234 0.4564 0.4564 7.0841 7.0841 7.6808 7.6808 7.7308 7.7308 11.1494 11.1494 13.5569 13.5569 13.7744 13.7744 14.6174 14.6174 k = 0.5000-0.0928 0.5468 ( 1248 PWs) bands (ev): -32.4098 -32.4098 -13.4734 -13.4734 -12.0810 -12.0810 -12.0251 -12.0251 0.4713 0.4713 7.0996 7.0996 7.6201 7.6201 7.6751 7.6751 11.2849 11.2849 13.5756 13.5756 13.6720 13.6720 14.6178 14.6178 k = 0.5000-0.0825 0.5541 ( 1248 PWs) bands (ev): -32.4098 -32.4098 -13.4734 -13.4734 -12.0798 -12.0798 -12.0268 -12.0268 0.4852 0.4852 7.1164 7.1164 7.5623 7.5623 7.6245 7.6245 11.4217 11.4217 13.5483 13.5483 13.6080 13.6080 14.6181 14.6181 k = 0.5000-0.0722 0.5613 ( 1248 PWs) bands (ev): -32.4098 -32.4098 -13.4735 -13.4735 -12.0787 -12.0787 -12.0284 -12.0284 0.4981 0.4981 7.1344 7.1344 7.5092 7.5092 7.5775 7.5775 11.5595 11.5595 13.4387 13.4387 13.6192 13.6192 14.6181 14.6181 k = 0.5000-0.0619 0.5686 ( 1242 PWs) bands (ev): -32.4098 -32.4098 -13.4735 -13.4735 -12.0776 -12.0776 -12.0298 -12.0298 0.5097 0.5097 7.1537 7.1537 7.4618 7.4618 7.5336 7.5336 11.6982 11.6982 13.3198 13.3198 13.6333 13.6333 14.6181 14.6181 k = 0.5000-0.0515 0.5759 ( 1238 PWs) bands (ev): -32.4098 -32.4098 -13.4735 -13.4735 -12.0766 -12.0766 -12.0312 -12.0312 0.5198 0.5198 7.1743 7.1743 7.4208 7.4208 7.4925 7.4925 11.8374 11.8374 13.1961 13.1961 13.6458 13.6458 14.6180 14.6180 k = 0.5000-0.0412 0.5832 ( 1240 PWs) bands (ev): -32.4098 -32.4098 -13.4736 -13.4736 -12.0757 -12.0757 -12.0324 -12.0324 0.5283 0.5283 7.1961 7.1961 7.3867 7.3867 7.4540 7.4540 11.9769 11.9769 13.0688 13.0688 13.6563 13.6563 14.6178 14.6178 k = 0.5000-0.0309 0.5905 ( 1240 PWs) bands (ev): -32.4098 -32.4098 -13.4736 -13.4736 -12.0750 -12.0750 -12.0333 -12.0333 0.5351 0.5351 7.2187 7.2187 7.3597 7.3597 7.4186 7.4186 12.1166 12.1166 12.9384 12.9384 13.6646 13.6646 14.6176 14.6176 k = 0.5000-0.0206 0.5978 ( 1240 PWs) bands (ev): -32.4098 -32.4098 -13.4736 -13.4736 -12.0744 -12.0744 -12.0340 -12.0340 0.5400 0.5400 7.2416 7.2416 7.3400 7.3400 7.3868 7.3868 12.2559 12.2559 12.8055 12.8055 13.6706 13.6706 14.6174 14.6174 k = 0.5000-0.0103 0.6051 ( 1236 PWs) bands (ev): -32.4097 -32.4097 -13.4736 -13.4736 -12.0741 -12.0741 -12.0345 -12.0345 0.5430 0.5430 7.2623 7.2623 7.3273 7.3273 7.3617 7.3617 12.3945 12.3945 12.6707 12.6707 13.6742 13.6742 14.6173 14.6173 k = 0.5000 0.0000 0.6124 ( 1232 PWs) bands (ev): -32.4097 -32.4097 -13.4736 -13.4736 -12.0739 -12.0739 -12.0346 -12.0346 0.5440 0.5440 7.2723 7.2723 7.3222 7.3222 7.3509 7.3509 12.5197 12.5197 12.5468 12.5468 13.6755 13.6755 14.6173 14.6173 k = 0.5000 0.0000 0.6124 ( 1232 PWs) bands (ev): -32.4097 -32.4097 -13.4736 -13.4736 -12.0739 -12.0739 -12.0346 -12.0346 0.5440 0.5440 7.2723 7.2723 7.3222 7.3222 7.3509 7.3509 12.5197 12.5197 12.5468 12.5468 13.6755 13.6755 14.6173 14.6173 k = 0.4938 0.0108 0.6124 ( 1236 PWs) bands (ev): -32.4097 -32.4097 -13.4736 -13.4736 -12.0741 -12.0741 -12.0344 -12.0344 0.5437 0.5437 7.2597 7.2597 7.3080 7.3080 7.3795 7.3795 12.4349 12.4349 12.6303 12.6303 13.6786 13.6786 14.6171 14.6171 k = 0.4875 0.0217 0.6124 ( 1244 PWs) bands (ev): -32.4098 -32.4098 -13.4735 -13.4735 -12.0744 -12.0744 -12.0339 -12.0339 0.5430 0.5430 7.2381 7.2381 7.2856 7.2856 7.4283 7.4283 12.3358 12.3358 12.7256 12.7256 13.6882 13.6882 14.6163 14.6163 k = 0.4813 0.0325 0.6124 ( 1244 PWs) bands (ev): -32.4098 -32.4098 -13.4735 -13.4735 -12.0750 -12.0750 -12.0331 -12.0331 0.5419 0.5419 7.2148 7.2148 7.2643 7.2643 7.4809 7.4809 12.2349 12.2349 12.8207 12.8207 13.7044 13.7044 14.6147 14.6147 k = 0.4750 0.0433 0.6124 ( 1246 PWs) bands (ev): -32.4099 -32.4099 -13.4734 -13.4734 -12.0758 -12.0758 -12.0319 -12.0319 0.5405 0.5405 7.1910 7.1910 7.2448 7.2448 7.5351 7.5351 12.1333 12.1333 12.9150 12.9150 13.7273 13.7273 14.6121 14.6121 k = 0.4688 0.0541 0.6124 ( 1246 PWs) bands (ev): -32.4099 -32.4099 -13.4733 -13.4733 -12.0767 -12.0767 -12.0306 -12.0306 0.5388 0.5388 7.1673 7.1673 7.2270 7.2270 7.5901 7.5901 12.0316 12.0316 13.0085 13.0085 13.7567 13.7567 14.6082 14.6082 k = 0.4625 0.0650 0.6124 ( 1246 PWs) bands (ev): -32.4099 -32.4099 -13.4732 -13.4732 -12.0777 -12.0777 -12.0291 -12.0291 0.5369 0.5369 7.1442 7.1442 7.2108 7.2108 7.6455 7.6455 11.9306 11.9306 13.1007 13.1007 13.7922 13.7922 14.6028 14.6028 k = 0.4562 0.0758 0.6124 ( 1248 PWs) bands (ev): -32.4100 -32.4100 -13.4731 -13.4731 -12.0787 -12.0787 -12.0276 -12.0276 0.5348 0.5348 7.1219 7.1219 7.1961 7.1961 7.7009 7.7009 11.8312 11.8312 13.1916 13.1916 13.8333 13.8333 14.5957 14.5957 k = 0.4500 0.0866 0.6124 ( 1255 PWs) bands (ev): -32.4101 -32.4101 -13.4730 -13.4730 -12.0798 -12.0798 -12.0259 -12.0259 0.5326 0.5326 7.1007 7.1007 7.1827 7.1827 7.7559 7.7559 11.7340 11.7340 13.2808 13.2808 13.8796 13.8796 14.5866 14.5866 k = 0.4437 0.0974 0.6124 ( 1255 PWs) bands (ev): -32.4101 -32.4101 -13.4729 -13.4729 -12.0809 -12.0809 -12.0243 -12.0243 0.5303 0.5303 7.0806 7.0806 7.1706 7.1706 7.8100 7.8100 11.6399 11.6399 13.3680 13.3680 13.9304 13.9304 14.5753 14.5753 k = 0.4375 0.1083 0.6124 ( 1255 PWs) bands (ev): -32.4101 -32.4101 -13.4727 -13.4727 -12.0819 -12.0819 -12.0227 -12.0227 0.5281 0.5281 7.0618 7.0618 7.1597 7.1597 7.8628 7.8628 11.5497 11.5497 13.4530 13.4530 13.9851 13.9851 14.5618 14.5618 k = 0.4313 0.1191 0.6124 ( 1259 PWs) bands (ev): -32.4102 -32.4102 -13.4726 -13.4726 -12.0829 -12.0829 -12.0211 -12.0211 0.5259 0.5259 7.0446 7.0446 7.1499 7.1499 7.9137 7.9137 11.4642 11.4642 13.5354 13.5354 14.0428 14.0428 14.5459 14.5459 k = 0.4250 0.1299 0.6124 ( 1261 PWs) bands (ev): -32.4103 -32.4103 -13.4725 -13.4725 -12.0839 -12.0839 -12.0197 -12.0197 0.5238 0.5238 7.0288 7.0288 7.1412 7.1412 7.9620 7.9620 11.3843 11.3843 13.6148 13.6148 14.1027 14.1027 14.5275 14.5275 k = 0.4188 0.1407 0.6124 ( 1259 PWs) bands (ev): -32.4103 -32.4103 -13.4724 -13.4724 -12.0847 -12.0847 -12.0183 -12.0183 0.5218 0.5218 7.0148 7.0148 7.1336 7.1336 8.0072 8.0072 11.3108 11.3108 13.6908 13.6908 14.1636 14.1636 14.5066 14.5066 k = 0.4125 0.1516 0.6124 ( 1265 PWs) bands (ev): -32.4103 -32.4103 -13.4724 -13.4724 -12.0855 -12.0855 -12.0171 -12.0171 0.5200 0.5200 7.0024 7.0024 7.1271 7.1271 8.0485 8.0485 11.2446 11.2446 13.7628 13.7628 14.2242 14.2242 14.4835 14.4835 k = 0.4062 0.1624 0.6124 ( 1265 PWs) bands (ev): -32.4104 -32.4104 -13.4723 -13.4723 -12.0861 -12.0861 -12.0161 -12.0161 0.5185 0.5185 6.9918 6.9918 7.1215 7.1215 8.0851 8.0851 11.1867 11.1867 13.8301 13.8301 14.2829 14.2829 14.4587 14.4587 k = 0.4000 0.1732 0.6124 ( 1257 PWs) bands (ev): -32.4103 -32.4103 -13.4722 -13.4722 -12.0867 -12.0867 -12.0152 -12.0152 0.5171 0.5171 6.9831 6.9831 7.1170 7.1170 8.1164 8.1164 11.1379 11.1379 13.8917 13.8917 14.3371 14.3371 14.4336 14.4336 k = 0.3937 0.1840 0.6124 ( 1253 PWs) bands (ev): -32.4103 -32.4103 -13.4722 -13.4722 -12.0871 -12.0871 -12.0145 -12.0145 0.5161 0.5161 6.9763 6.9763 7.1136 7.1136 8.1416 8.1416 11.0989 11.0989 13.9457 13.9457 14.3776 14.3776 14.4167 14.4167 k = 0.3875 0.1949 0.6124 ( 1255 PWs) bands (ev): -32.4104 -32.4104 -13.4721 -13.4721 -12.0874 -12.0874 -12.0140 -12.0140 0.5153 0.5153 6.9714 6.9714 7.1111 7.1111 8.1601 8.1601 11.0705 11.0705 13.9897 13.9897 14.3731 14.3731 14.4383 14.4383 k = 0.3812 0.2057 0.6124 ( 1255 PWs) bands (ev): -32.4104 -32.4104 -13.4721 -13.4721 -12.0876 -12.0876 -12.0137 -12.0137 0.5149 0.5149 6.9684 6.9684 7.1096 7.1096 8.1714 8.1714 11.0533 11.0533 14.0193 14.0193 14.3578 14.3578 14.4641 14.4641 k = 0.3750 0.2165 0.6124 ( 1250 PWs) bands (ev): -32.4103 -32.4103 -13.4721 -13.4721 -12.0877 -12.0877 -12.0136 -12.0136 0.5147 0.5147 6.9674 6.9674 7.1091 7.1091 8.1752 8.1752 11.0475 11.0475 14.0300 14.0300 14.3515 14.3515 14.4738 14.4738 k = 0.3750 0.2165 0.6124 ( 1250 PWs) bands (ev): -32.4103 -32.4103 -13.4721 -13.4721 -12.0877 -12.0877 -12.0136 -12.0136 0.5147 0.5147 6.9674 6.9674 7.1091 7.1091 8.1752 8.1752 11.0475 11.0475 14.0300 14.0300 14.3515 14.3515 14.4738 14.4738 k = 0.3686 0.2128 0.6020 ( 1254 PWs) bands (ev): -32.4105 -32.4105 -13.4718 -13.4718 -12.0877 -12.0877 -12.0129 -12.0129 0.5339 0.5339 6.8786 6.8786 7.1235 7.1235 8.1300 8.1300 11.1717 11.1717 13.9728 13.9728 14.3187 14.3187 14.4470 14.4470 k = 0.3623 0.2092 0.5916 ( 1254 PWs) bands (ev): -32.4106 -32.4106 -13.4715 -13.4715 -12.0878 -12.0878 -12.0120 -12.0120 0.5524 0.5524 6.7923 6.7923 7.1401 7.1401 8.0865 8.0865 11.2992 11.2992 13.9134 13.9134 14.2831 14.2831 14.4161 14.4161 k = 0.3559 0.2055 0.5812 ( 1250 PWs) bands (ev): -32.4107 -32.4107 -13.4711 -13.4711 -12.0879 -12.0879 -12.0108 -12.0108 0.5699 0.5699 6.7097 6.7097 7.1583 7.1583 8.0448 8.0448 11.4301 11.4301 13.8521 13.8521 14.2449 14.2449 14.3817 14.3817 k = 0.3496 0.2018 0.5709 ( 1250 PWs) bands (ev): -32.4108 -32.4108 -13.4706 -13.4706 -12.0881 -12.0881 -12.0095 -12.0095 0.5862 0.5862 6.6314 6.6314 7.1778 7.1778 8.0053 8.0053 11.5643 11.5643 13.7889 13.7889 14.2041 14.2041 14.3442 14.3442 k = 0.3432 0.1982 0.5605 ( 1250 PWs) bands (ev): -32.4110 -32.4110 -13.4701 -13.4701 -12.0882 -12.0882 -12.0079 -12.0079 0.6012 0.6012 6.5578 6.5578 7.1987 7.1987 7.9679 7.9679 11.7019 11.7019 13.7242 13.7242 14.1607 14.1607 14.3038 14.3038 k = 0.3369 0.1945 0.5501 ( 1254 PWs) bands (ev): -32.4112 -32.4112 -13.4695 -13.4695 -12.0883 -12.0883 -12.0061 -12.0061 0.6144 0.6144 6.4892 6.4892 7.2209 7.2209 7.9329 7.9329 11.8426 11.8426 13.6580 13.6580 14.1149 14.1149 14.2610 14.2610 k = 0.3305 0.1908 0.5397 ( 1250 PWs) bands (ev): -32.4113 -32.4113 -13.4688 -13.4688 -12.0883 -12.0883 -12.0041 -12.0041 0.6258 0.6258 6.4259 6.4259 7.2444 7.2444 7.9004 7.9004 11.9864 11.9864 13.5904 13.5904 14.0666 14.0666 14.2159 14.2159 k = 0.3242 0.1871 0.5293 ( 1256 PWs) bands (ev): -32.4116 -32.4116 -13.4680 -13.4680 -12.0882 -12.0882 -12.0020 -12.0020 0.6349 0.6349 6.3683 6.3683 7.2694 7.2694 7.8705 7.8705 12.1331 12.1331 13.5217 13.5217 14.0161 14.0161 14.1688 14.1688 k = 0.3178 0.1835 0.5190 ( 1256 PWs) bands (ev): -32.4118 -32.4118 -13.4671 -13.4671 -12.0880 -12.0880 -11.9998 -11.9998 0.6418 0.6418 6.3167 6.3167 7.2958 7.2958 7.8433 7.8433 12.2825 12.2825 13.4521 13.4521 13.9633 13.9633 14.1199 14.1199 k = 0.3114 0.1798 0.5086 ( 1256 PWs) bands (ev): -32.4121 -32.4121 -13.4662 -13.4662 -12.0876 -12.0876 -11.9974 -11.9974 0.6460 0.6460 6.2713 6.2713 7.3237 7.3237 7.8189 7.8189 12.4343 12.4343 13.3816 13.3816 13.9085 13.9085 14.0695 14.0695 k = 0.3051 0.1761 0.4982 ( 1256 PWs) bands (ev): -32.4124 -32.4124 -13.4651 -13.4651 -12.0871 -12.0871 -11.9950 -11.9950 0.6475 0.6475 6.2324 6.2324 7.3530 7.3530 7.7973 7.7973 12.5880 12.5880 13.3105 13.3105 13.8517 13.8517 14.0178 14.0178 k = 0.2987 0.1725 0.4878 ( 1256 PWs) bands (ev): -32.4127 -32.4127 -13.4639 -13.4639 -12.0863 -12.0863 -11.9924 -11.9924 0.6461 0.6461 6.2002 6.2002 7.3839 7.3839 7.7788 7.7788 12.7432 12.7432 13.2389 13.2389 13.7932 13.7932 13.9649 13.9649 k = 0.2924 0.1688 0.4774 ( 1256 PWs) bands (ev): -32.4130 -32.4130 -13.4626 -13.4626 -12.0854 -12.0854 -11.9898 -11.9898 0.6416 0.6416 6.1748 6.1748 7.4164 7.4164 7.7632 7.7632 12.8990 12.8990 13.1671 13.1671 13.7331 13.7331 13.9110 13.9110 k = 0.2860 0.1651 0.4671 ( 1252 PWs) bands (ev): -32.4133 -32.4133 -13.4611 -13.4611 -12.0842 -12.0842 -11.9871 -11.9871 0.6340 0.6340 6.1566 6.1566 7.4504 7.4504 7.7507 7.7507 13.0525 13.0525 13.0971 13.0971 13.6716 13.6716 13.8564 13.8564 k = 0.2797 0.1615 0.4567 ( 1260 PWs) bands (ev): -32.4137 -32.4137 -13.4596 -13.4596 -12.0829 -12.0829 -11.9844 -11.9844 0.6231 0.6231 6.1454 6.1454 7.4861 7.4861 7.7414 7.7414 13.0215 13.0215 13.2097 13.2097 13.6092 13.6092 13.8014 13.8014 k = 0.2733 0.1578 0.4463 ( 1262 PWs) bands (ev): -32.4141 -32.4141 -13.4579 -13.4579 -12.0812 -12.0812 -11.9816 -11.9816 0.6089 0.6089 6.1414 6.1414 7.5234 7.5234 7.7353 7.7353 12.9496 12.9496 13.3580 13.3580 13.5473 13.5473 13.7468 13.7468 k = 0.2669 0.1541 0.4359 ( 1262 PWs) bands (ev): -32.4145 -32.4145 -13.4561 -13.4561 -12.0793 -12.0793 -11.9788 -11.9788 0.5915 0.5915 6.1447 6.1447 7.5623 7.5623 7.7324 7.7324 12.8777 12.8777 13.4599 13.4599 13.5216 13.5216 13.6964 13.6964 k = 0.2606 0.1505 0.4255 ( 1264 PWs) bands (ev): -32.4150 -32.4150 -13.4542 -13.4542 -12.0772 -12.0772 -11.9760 -11.9760 0.5709 0.5709 6.1553 6.1553 7.6029 7.6029 7.7328 7.7328 12.8061 12.8061 13.4081 13.4081 13.5928 13.5928 13.6936 13.6936 k = 0.2542 0.1468 0.4152 ( 1264 PWs) bands (ev): -32.4154 -32.4154 -13.4521 -13.4521 -12.0748 -12.0748 -11.9733 -11.9733 0.5471 0.5471 6.1730 6.1730 7.6452 7.6452 7.7365 7.7365 12.7348 12.7348 13.3429 13.3429 13.5577 13.5577 13.7973 13.7973 k = 0.2479 0.1431 0.4048 ( 1264 PWs) bands (ev): -32.4159 -32.4159 -13.4500 -13.4500 -12.0721 -12.0721 -11.9705 -11.9705 0.5203 0.5203 6.1978 6.1978 7.6893 7.6893 7.7435 7.7435 12.6642 12.6642 13.2762 13.2762 13.5031 13.5031 13.9030 13.9030 k = 0.2415 0.1394 0.3944 ( 1266 PWs) bands (ev): -32.4164 -32.4164 -13.4477 -13.4477 -12.0692 -12.0692 -11.9677 -11.9677 0.4906 0.4906 6.2296 6.2296 7.7350 7.7350 7.7540 7.7540 12.5942 12.5942 13.2088 13.2088 13.4458 13.4458 13.9860 13.9860 k = 0.2352 0.1358 0.3840 ( 1265 PWs) bands (ev): -32.4169 -32.4169 -13.4453 -13.4453 -12.0660 -12.0660 -11.9650 -11.9650 0.4582 0.4582 6.2683 6.2683 7.7676 7.7676 7.7826 7.7826 12.5250 12.5250 13.1410 13.1410 13.3873 13.3873 14.0371 14.0371 k = 0.2288 0.1321 0.3737 ( 1265 PWs) bands (ev): -32.4174 -32.4174 -13.4428 -13.4428 -12.0625 -12.0625 -11.9623 -11.9623 0.4232 0.4232 6.3136 6.3136 7.7848 7.7848 7.8317 7.8317 12.4567 12.4567 13.0731 13.0731 13.3283 13.3283 14.0515 14.0515 k = 0.2225 0.1284 0.3633 ( 1267 PWs) bands (ev): -32.4179 -32.4179 -13.4402 -13.4402 -12.0588 -12.0588 -11.9596 -11.9596 0.3859 0.3859 6.3654 6.3654 7.8054 7.8054 7.8826 7.8826 12.3894 12.3894 13.0051 13.0051 13.2687 13.2687 14.0300 14.0300 k = 0.2161 0.1248 0.3529 ( 1275 PWs) bands (ev): -32.4186 -32.4186 -13.4374 -13.4374 -12.0549 -12.0549 -11.9570 -11.9570 0.3464 0.3464 6.4235 6.4235 7.8294 7.8294 7.9352 7.9352 12.3232 12.3232 12.9371 12.9371 13.2087 13.2087 13.9788 13.9788 k = 0.2097 0.1211 0.3425 ( 1267 PWs) bands (ev): -32.4191 -32.4191 -13.4346 -13.4346 -12.0507 -12.0507 -11.9545 -11.9545 0.3051 0.3051 6.4877 6.4877 7.8568 7.8568 7.9895 7.9895 12.2581 12.2581 12.8693 12.8693 13.1482 13.1482 13.9057 13.9057 k = 0.2034 0.1174 0.3321 ( 1259 PWs) bands (ev): -32.4196 -32.4196 -13.4317 -13.4317 -12.0463 -12.0463 -11.9519 -11.9519 0.2622 0.2622 6.5577 6.5577 7.8877 7.8877 8.0455 8.0455 12.1943 12.1943 12.8018 12.8018 13.0871 13.0871 13.8181 13.8181 k = 0.1970 0.1138 0.3218 ( 1259 PWs) bands (ev): -32.4202 -32.4202 -13.4288 -13.4288 -12.0417 -12.0417 -11.9495 -11.9495 0.2179 0.2179 6.6333 6.6333 7.9220 7.9220 8.1032 8.1032 12.1318 12.1318 12.7346 12.7346 13.0253 13.0253 13.7216 13.7216 k = 0.1907 0.1101 0.3114 ( 1259 PWs) bands (ev): -32.4208 -32.4208 -13.4257 -13.4257 -12.0369 -12.0369 -11.9471 -11.9471 0.1724 0.1724 6.7143 6.7143 7.9596 7.9596 8.1624 8.1624 12.0707 12.0707 12.6677 12.6677 12.9626 12.9626 13.6206 13.6206 k = 0.1843 0.1064 0.3010 ( 1259 PWs) bands (ev): -32.4214 -32.4214 -13.4227 -13.4227 -12.0319 -12.0319 -11.9448 -11.9448 0.1260 0.1260 6.8004 6.8004 8.0007 8.0007 8.2233 8.2233 12.0110 12.0110 12.6013 12.6013 12.8987 12.8987 13.5180 13.5180 k = 0.1780 0.1027 0.2906 ( 1263 PWs) bands (ev): -32.4220 -32.4220 -13.4195 -13.4195 -12.0268 -12.0268 -11.9425 -11.9425 0.0790 0.0790 6.8913 6.8913 8.0452 8.0452 8.2857 8.2857 11.9529 11.9529 12.5354 12.5354 12.8334 12.8334 13.4159 13.4159 k = 0.1716 0.0991 0.2802 ( 1263 PWs) bands (ev): -32.4226 -32.4226 -13.4164 -13.4164 -12.0215 -12.0215 -11.9404 -11.9404 0.0315 0.0315 6.9869 6.9869 8.0930 8.0930 8.3495 8.3495 11.8964 11.8964 12.4700 12.4700 12.7664 12.7664 13.3161 13.3161 k = 0.1653 0.0954 0.2699 ( 1263 PWs) bands (ev): -32.4232 -32.4232 -13.4132 -13.4132 -12.0161 -12.0161 -11.9383 -11.9383 -0.0162 -0.0162 7.0868 7.0868 8.1441 8.1441 8.4148 8.4148 11.8415 11.8415 12.4052 12.4052 12.6974 12.6974 13.2198 13.2198 k = 0.1589 0.0917 0.2595 ( 1263 PWs) bands (ev): -32.4239 -32.4239 -13.4100 -13.4100 -12.0105 -12.0105 -11.9362 -11.9362 -0.0638 -0.0638 7.1909 7.1909 8.1985 8.1985 8.4815 8.4815 11.7883 11.7883 12.3409 12.3409 12.6263 12.6263 13.1279 13.1279 k = 0.1525 0.0881 0.2491 ( 1267 PWs) bands (ev): -32.4245 -32.4245 -13.4068 -13.4068 -12.0049 -12.0049 -11.9343 -11.9343 -0.1112 -0.1112 7.2990 7.2990 8.2562 8.2562 8.5494 8.5494 11.7368 11.7368 12.2772 12.2772 12.5529 12.5529 13.0410 13.0410 k = 0.1462 0.0844 0.2387 ( 1275 PWs) bands (ev): -32.4252 -32.4252 -13.4036 -13.4036 -11.9993 -11.9993 -11.9324 -11.9324 -0.1582 -0.1582 7.4106 7.4106 8.3171 8.3171 8.6185 8.6185 11.6871 11.6871 12.2140 12.2140 12.4776 12.4776 12.9592 12.9592 k = 0.1398 0.0807 0.2283 ( 1275 PWs) bands (ev): -32.4258 -32.4258 -13.4004 -13.4004 -11.9936 -11.9936 -11.9306 -11.9306 -0.2046 -0.2046 7.5258 7.5258 8.3811 8.3811 8.6887 8.6887 11.6393 11.6393 12.1515 12.1515 12.4006 12.4006 12.8825 12.8825 k = 0.1335 0.0771 0.2180 ( 1275 PWs) bands (ev): -32.4264 -32.4264 -13.3973 -13.3973 -11.9879 -11.9879 -11.9289 -11.9289 -0.2501 -0.2501 7.6441 7.6441 8.4482 8.4482 8.7600 8.7600 11.5933 11.5933 12.0895 12.0895 12.3226 12.3226 12.8105 12.8105 k = 0.1271 0.0734 0.2076 ( 1269 PWs) bands (ev): -32.4269 -32.4269 -13.3943 -13.3943 -11.9822 -11.9822 -11.9273 -11.9273 -0.2947 -0.2947 7.7653 7.7653 8.5183 8.5183 8.8320 8.8320 11.5492 11.5492 12.0281 12.0281 12.2442 12.2442 12.7427 12.7427 k = 0.1208 0.0697 0.1972 ( 1265 PWs) bands (ev): -32.4274 -32.4274 -13.3913 -13.3913 -11.9765 -11.9765 -11.9257 -11.9257 -0.3381 -0.3381 7.8892 7.8892 8.5912 8.5912 8.9048 8.9048 11.5071 11.5071 11.9673 11.9673 12.1660 12.1660 12.6784 12.6784 k = 0.1144 0.0661 0.1868 ( 1265 PWs) bands (ev): -32.4280 -32.4280 -13.3883 -13.3883 -11.9710 -11.9710 -11.9243 -11.9243 -0.3803 -0.3803 8.0155 8.0155 8.6670 8.6670 8.9782 8.9782 11.4670 11.4670 11.9070 11.9070 12.0886 12.0886 12.6170 12.6170 k = 0.1081 0.0624 0.1764 ( 1265 PWs) bands (ev): -32.4285 -32.4285 -13.3855 -13.3855 -11.9655 -11.9655 -11.9229 -11.9229 -0.4209 -0.4209 8.1439 8.1439 8.7455 8.7455 9.0520 9.0520 11.4288 11.4288 11.8473 11.8473 12.0127 12.0127 12.5580 12.5580 k = 0.1017 0.0587 0.1661 ( 1277 PWs) bands (ev): -32.4291 -32.4291 -13.3828 -13.3828 -11.9601 -11.9601 -11.9216 -11.9216 -0.4600 -0.4600 8.2741 8.2741 8.8264 8.8264 9.1260 9.1260 11.3927 11.3927 11.7882 11.7882 11.9387 11.9387 12.5008 12.5008 k = 0.0953 0.0550 0.1557 ( 1277 PWs) bands (ev): -32.4296 -32.4296 -13.3801 -13.3801 -11.9549 -11.9549 -11.9204 -11.9204 -0.4974 -0.4974 8.4057 8.4057 8.9096 8.9096 9.2000 9.2000 11.3587 11.3587 11.7297 11.7297 11.8668 11.8668 12.4449 12.4449 k = 0.0890 0.0514 0.1453 ( 1277 PWs) bands (ev): -32.4301 -32.4301 -13.3776 -13.3776 -11.9499 -11.9499 -11.9193 -11.9193 -0.5329 -0.5329 8.5384 8.5384 8.9950 8.9950 9.2738 9.2738 11.3267 11.3267 11.6718 11.6718 11.7972 11.7972 12.3899 12.3899 k = 0.0826 0.0477 0.1349 ( 1273 PWs) bands (ev): -32.4305 -32.4305 -13.3752 -13.3752 -11.9451 -11.9451 -11.9182 -11.9182 -0.5664 -0.5664 8.6718 8.6718 9.0821 9.0821 9.3471 9.3471 11.2968 11.2968 11.6147 11.6147 11.7302 11.7302 12.3356 12.3356 k = 0.0763 0.0440 0.1246 ( 1273 PWs) bands (ev): -32.4310 -32.4310 -13.3730 -13.3730 -11.9405 -11.9405 -11.9172 -11.9172 -0.5979 -0.5979 8.8053 8.8053 9.1707 9.1707 9.4196 9.4196 11.2691 11.2691 11.5584 11.5584 11.6657 11.6657 12.2817 12.2817 k = 0.0699 0.0404 0.1142 ( 1265 PWs) bands (ev): -32.4313 -32.4313 -13.3709 -13.3709 -11.9362 -11.9362 -11.9163 -11.9163 -0.6272 -0.6272 8.9383 8.9383 9.2603 9.2603 9.4909 9.4909 11.2434 11.2434 11.5031 11.5031 11.6036 11.6036 12.2281 12.2281 k = 0.0636 0.0367 0.1038 ( 1265 PWs) bands (ev): -32.4317 -32.4317 -13.3690 -13.3690 -11.9322 -11.9322 -11.9155 -11.9155 -0.6543 -0.6543 9.0701 9.0701 9.3505 9.3505 9.5608 9.5608 11.2199 11.2199 11.4491 11.4491 11.5437 11.5437 12.1748 12.1748 k = 0.0572 0.0330 0.0934 ( 1257 PWs) bands (ev): -32.4320 -32.4320 -13.3672 -13.3672 -11.9284 -11.9284 -11.9148 -11.9148 -0.6791 -0.6791 9.1999 9.1999 9.4405 9.4405 9.6286 9.6286 11.1986 11.1986 11.3966 11.3966 11.4859 11.4859 12.1222 12.1222 k = 0.0508 0.0294 0.0830 ( 1251 PWs) bands (ev): -32.4322 -32.4322 -13.3656 -13.3656 -11.9250 -11.9250 -11.9141 -11.9141 -0.7014 -0.7014 9.3264 9.3264 9.5294 9.5294 9.6940 9.6940 11.1794 11.1794 11.3461 11.3461 11.4300 11.4300 12.0706 12.0706 k = 0.0445 0.0257 0.0727 ( 1251 PWs) bands (ev): -32.4325 -32.4325 -13.3642 -13.3642 -11.9220 -11.9220 -11.9136 -11.9136 -0.7213 -0.7213 9.4482 9.4482 9.6164 9.6164 9.7562 9.7562 11.1622 11.1622 11.2980 11.2980 11.3758 11.3758 12.0209 12.0209 k = 0.0381 0.0220 0.0623 ( 1247 PWs) bands (ev): -32.4327 -32.4327 -13.3629 -13.3629 -11.9193 -11.9193 -11.9131 -11.9131 -0.7386 -0.7386 9.5631 9.5631 9.7001 9.7001 9.8147 9.8147 11.1472 11.1472 11.2529 11.2529 11.3233 11.3233 11.9740 11.9740 k = 0.0318 0.0183 0.0519 ( 1243 PWs) bands (ev): -32.4329 -32.4329 -13.3618 -13.3618 -11.9170 -11.9170 -11.9126 -11.9126 -0.7534 -0.7534 9.6683 9.6683 9.7792 9.7792 9.8686 9.8686 11.1341 11.1341 11.2117 11.2117 11.2731 11.2731 11.9313 11.9313 k = 0.0254 0.0147 0.0415 ( 1243 PWs) bands (ev): -32.4331 -32.4331 -13.3610 -13.3610 -11.9151 -11.9151 -11.9123 -11.9123 -0.7655 -0.7655 9.7595 9.7595 9.8525 9.8525 9.9172 9.9172 11.1228 11.1228 11.1751 11.1751 11.2266 11.2266 11.8939 11.8939 k = 0.0191 0.0110 0.0311 ( 1243 PWs) bands (ev): -32.4332 -32.4332 -13.3603 -13.3603 -11.9136 -11.9136 -11.9120 -11.9120 -0.7750 -0.7750 9.8319 9.8319 9.9183 9.9183 9.9592 9.9592 11.1129 11.1129 11.1440 11.1440 11.1865 11.1865 11.8633 11.8633 k = 0.0127 0.0073 0.0208 ( 1243 PWs) bands (ev): -32.4333 -32.4333 -13.3598 -13.3598 -11.9126 -11.9126 -11.9118 -11.9118 -0.7817 -0.7817 9.8825 9.8825 9.9727 9.9727 9.9926 9.9926 11.1041 11.1041 11.1187 11.1187 11.1570 11.1570 11.8405 11.8405 k = 0.0064 0.0037 0.0104 ( 1243 PWs) bands (ev): -32.4334 -32.4334 -13.3595 -13.3595 -11.9119 -11.9119 -11.9117 -11.9117 -0.7858 -0.7858 9.9119 9.9119 10.0092 10.0092 10.0145 10.0145 11.0973 11.0973 11.1011 11.1011 11.1405 11.1405 11.8265 11.8265 k = 0.0000 0.0000 0.0000 ( 1243 PWs) bands (ev): -32.4334 -32.4334 -13.3594 -13.3594 -11.9117 -11.9117 -11.9117 -11.9117 -0.7872 -0.7872 9.9214 9.9214 10.0222 10.0222 10.0222 10.0222 11.0945 11.0945 11.0945 11.0945 11.1356 11.1356 11.8218 11.8218 k = 0.0000 0.0000 0.0000 ( 1243 PWs) bands (ev): -32.4334 -32.4334 -13.3594 -13.3594 -11.9117 -11.9117 -11.9117 -11.9117 -0.7872 -0.7872 9.9214 9.9214 10.0222 10.0222 10.0222 10.0222 11.0945 11.0945 11.0945 11.0945 11.1356 11.1356 11.8218 11.8218 k = 0.0102 0.0059 0.0042 ( 1243 PWs) bands (ev): -32.4334 -32.4334 -13.3595 -13.3595 -11.9119 -11.9119 -11.9117 -11.9117 -0.7859 -0.7859 9.9123 9.9123 10.0107 10.0107 10.0137 10.0137 11.0983 11.0983 11.0999 11.0999 11.1402 11.1402 11.8302 11.8302 k = 0.0204 0.0118 0.0083 ( 1243 PWs) bands (ev): -32.4333 -32.4333 -13.3598 -13.3598 -11.9126 -11.9126 -11.9118 -11.9118 -0.7819 -0.7819 9.8848 9.8848 9.9778 9.9778 9.9889 9.9889 11.1090 11.1090 11.1142 11.1142 11.1545 11.1545 11.8552 11.8554 k = 0.0306 0.0177 0.0125 ( 1243 PWs) bands (ev): -32.4332 -32.4332 -13.3602 -13.3602 -11.9136 -11.9136 -11.9119 -11.9119 -0.7754 -0.7754 9.8390 9.8390 9.9280 9.9280 9.9495 9.9495 11.1256 11.1256 11.1338 11.1338 11.1788 11.1788 11.8960 11.8965 k = 0.0408 0.0236 0.0167 ( 1243 PWs) bands (ev): -32.4331 -32.4331 -13.3609 -13.3609 -11.9151 -11.9151 -11.9121 -11.9121 -0.7662 -0.7662 9.7748 9.7748 9.8672 9.8672 9.8981 9.8981 11.1468 11.1468 11.1558 11.1558 11.2115 11.2115 11.9516 11.9522 k = 0.0510 0.0295 0.0208 ( 1243 PWs) bands (ev): -32.4329 -32.4329 -13.3618 -13.3618 -11.9171 -11.9171 -11.9124 -11.9124 -0.7544 -0.7544 9.6931 9.6931 9.8002 9.8002 9.8371 9.8371 11.1713 11.1713 11.1798 11.1798 11.2495 11.2495 12.0202 12.0202 k = 0.0612 0.0353 0.0250 ( 1249 PWs) bands (ev): -32.4328 -32.4328 -13.3628 -13.3628 -11.9194 -11.9194 -11.9127 -11.9127 -0.7401 -0.7401 9.5968 9.5968 9.7293 9.7293 9.7689 9.7689 11.1986 11.1986 11.2056 11.2056 11.2899 11.2899 12.1007 12.1026 k = 0.0714 0.0412 0.0292 ( 1249 PWs) bands (ev): -32.4325 -32.4325 -13.3640 -13.3640 -11.9221 -11.9221 -11.9130 -11.9130 -0.7233 -0.7233 9.4895 9.4895 9.6551 9.6551 9.6954 9.6954 11.2280 11.2280 11.2335 11.2335 11.3305 11.3305 12.1924 12.1953 k = 0.0816 0.0471 0.0333 ( 1249 PWs) bands (ev): -32.4323 -32.4323 -13.3654 -13.3654 -11.9252 -11.9252 -11.9134 -11.9134 -0.7040 -0.7040 9.3741 9.3741 9.5784 9.5784 9.6181 9.6181 11.2596 11.2596 11.2635 11.2635 11.3703 11.3703 12.2910 12.2910 k = 0.0918 0.0530 0.0375 ( 1261 PWs) bands (ev): -32.4321 -32.4321 -13.3669 -13.3669 -11.9287 -11.9287 -11.9139 -11.9139 -0.6822 -0.6822 9.2525 9.2525 9.4997 9.4997 9.5383 9.5383 11.2934 11.2934 11.2957 11.2957 11.4086 11.4086 12.3981 12.3981 k = 0.1020 0.0589 0.0417 ( 1261 PWs) bands (ev): -32.4317 -32.4317 -13.3687 -13.3687 -11.9325 -11.9325 -11.9144 -11.9144 -0.6580 -0.6580 9.1263 9.1263 9.4197 9.4197 9.4570 9.4570 11.3293 11.3293 11.3301 11.3301 11.4451 11.4451 12.5116 12.5117 k = 0.1122 0.0648 0.0458 ( 1267 PWs) bands (ev): -32.4314 -32.4314 -13.3706 -13.3706 -11.9366 -11.9366 -11.9149 -11.9149 -0.6315 -0.6315 8.9966 8.9966 9.3390 9.3390 9.3748 9.3748 11.3669 11.3669 11.3676 11.3676 11.4800 11.4800 12.6307 12.6308 k = 0.1224 0.0707 0.0500 ( 1267 PWs) bands (ev): -32.4310 -32.4310 -13.3726 -13.3726 -11.9410 -11.9410 -11.9155 -11.9155 -0.6026 -0.6026 8.8644 8.8644 9.2581 9.2581 9.2924 9.2924 11.4061 11.4061 11.4082 11.4082 11.5135 11.5135 12.7546 12.7546 k = 0.1327 0.0766 0.0542 ( 1267 PWs) bands (ev): -32.4306 -32.4306 -13.3748 -13.3748 -11.9458 -11.9458 -11.9162 -11.9162 -0.5716 -0.5716 8.7304 8.7304 9.1775 9.1775 9.2104 9.2104 11.4476 11.4476 11.4514 11.4514 11.5458 11.5458 12.8828 12.8829 k = 0.1429 0.0825 0.0583 ( 1266 PWs) bands (ev): -32.4302 -32.4302 -13.3771 -13.3771 -11.9508 -11.9508 -11.9168 -11.9168 -0.5384 -0.5384 8.5952 8.5952 9.0974 9.0974 9.1289 9.1289 11.4913 11.4913 11.4972 11.4972 11.5776 11.5776 13.0146 13.0146 k = 0.1531 0.0884 0.0625 ( 1278 PWs) bands (ev): -32.4298 -32.4298 -13.3795 -13.3795 -11.9560 -11.9560 -11.9175 -11.9175 -0.5032 -0.5032 8.4593 8.4593 9.0181 9.0181 9.0484 9.0484 11.5368 11.5368 11.5456 11.5456 11.6097 11.6097 13.1496 13.1496 k = 0.1633 0.0943 0.0667 ( 1278 PWs) bands (ev): -32.4293 -32.4293 -13.3821 -13.3821 -11.9614 -11.9614 -11.9183 -11.9183 -0.4659 -0.4659 8.3230 8.3230 8.9400 8.9400 8.9691 8.9691 11.5833 11.5833 11.5966 11.5966 11.6431 11.6431 13.2876 13.2877 k = 0.1735 0.1002 0.0708 ( 1278 PWs) bands (ev): -32.4288 -32.4288 -13.3848 -13.3848 -11.9671 -11.9671 -11.9190 -11.9190 -0.4267 -0.4267 8.1869 8.1869 8.8633 8.8633 8.8912 8.8912 11.6287 11.6287 11.6503 11.6503 11.6804 11.6804 13.4280 13.4281 k = 0.1837 0.1060 0.0750 ( 1272 PWs) bands (ev): -32.4283 -32.4283 -13.3876 -13.3876 -11.9729 -11.9729 -11.9198 -11.9198 -0.3857 -0.3857 8.0512 8.0512 8.7880 8.7880 8.8148 8.8148 11.6704 11.6704 11.7066 11.7066 11.7245 11.7245 13.5708 13.5708 k = 0.1939 0.1119 0.0792 ( 1272 PWs) bands (ev): -32.4277 -32.4277 -13.3904 -13.3904 -11.9788 -11.9788 -11.9206 -11.9206 -0.3431 -0.3431 7.9161 7.9161 8.7143 8.7143 8.7402 8.7402 11.7079 11.7079 11.7655 11.7655 11.7762 11.7762 13.7155 13.7155 k = 0.2041 0.1178 0.0833 ( 1266 PWs) bands (ev): -32.4271 -32.4271 -13.3934 -13.3934 -11.9848 -11.9848 -11.9214 -11.9214 -0.2988 -0.2988 7.7821 7.7821 8.6425 8.6425 8.6674 8.6674 11.7432 11.7432 11.8270 11.8270 11.8336 11.8336 13.8619 13.8619 k = 0.2143 0.1237 0.0875 ( 1266 PWs) bands (ev): -32.4266 -32.4266 -13.3964 -13.3964 -11.9909 -11.9909 -11.9223 -11.9223 -0.2530 -0.2530 7.6493 7.6493 8.5725 8.5725 8.5965 8.5965 11.7783 11.7783 11.8911 11.8911 11.8952 11.8952 14.0099 14.0099 k = 0.2245 0.1296 0.0916 ( 1272 PWs) bands (ev): -32.4261 -32.4261 -13.3995 -13.3995 -11.9971 -11.9971 -11.9231 -11.9231 -0.2059 -0.2059 7.5180 7.5180 8.5044 8.5044 8.5277 8.5277 11.8142 11.8142 11.9576 11.9576 11.9601 11.9601 14.1591 14.1591 k = 0.2347 0.1355 0.0958 ( 1266 PWs) bands (ev): -32.4254 -32.4254 -13.4026 -13.4026 -12.0033 -12.0033 -11.9240 -11.9240 -0.1576 -0.1576 7.3883 7.3883 8.4385 8.4385 8.4609 8.4609 11.8514 11.8514 12.0265 12.0265 12.0278 12.0278 14.3094 14.3094 k = 0.2449 0.1414 0.1000 ( 1260 PWs) bands (ev): -32.4248 -32.4248 -13.4057 -13.4057 -12.0095 -12.0095 -11.9248 -11.9248 -0.1081 -0.1081 7.2605 7.2605 8.3746 8.3746 8.3963 8.3963 11.8903 11.8903 12.0977 12.0977 12.0981 12.0981 14.4605 14.4605 k = 0.2551 0.1473 0.1041 ( 1260 PWs) bands (ev): -32.4243 -32.4243 -13.4089 -13.4089 -12.0157 -12.0157 -11.9257 -11.9257 -0.0577 -0.0577 7.1348 7.1348 8.3129 8.3129 8.3339 8.3339 11.9313 11.9313 12.1709 12.1709 12.1712 12.1712 14.6121 14.6121 k = 0.2653 0.1532 0.1083 ( 1272 PWs) bands (ev): -32.4238 -32.4238 -13.4121 -13.4121 -12.0218 -12.0218 -11.9266 -11.9266 -0.0066 -0.0066 7.0114 7.0114 8.2534 8.2534 8.2738 8.2738 11.9745 11.9745 12.2459 12.2459 12.2467 12.2467 14.7641 14.7641 k = 0.2755 0.1591 0.1125 ( 1272 PWs) bands (ev): -32.4232 -32.4232 -13.4152 -13.4152 -12.0279 -12.0279 -11.9274 -11.9274 0.0452 0.0452 6.8905 6.8905 8.1963 8.1963 8.2160 8.2160 12.0201 12.0201 12.3229 12.3229 12.3242 12.3242 14.9160 14.9160 k = 0.2857 0.1650 0.1166 ( 1266 PWs) bands (ev): -32.4226 -32.4226 -13.4184 -13.4184 -12.0338 -12.0338 -11.9283 -11.9283 0.0974 0.0974 6.7723 6.7723 8.1414 8.1414 8.1606 8.1606 12.0683 12.0683 12.4019 12.4019 12.4036 12.4036 15.0676 15.0676 k = 0.2959 0.1708 0.1208 ( 1266 PWs) bands (ev): -32.4221 -32.4221 -13.4215 -13.4215 -12.0397 -12.0397 -11.9291 -11.9291 0.1499 0.1499 6.6570 6.6570 8.0889 8.0889 8.1075 8.1075 12.1192 12.1192 12.4827 12.4827 12.4846 12.4846 15.2186 15.2186 k = 0.3061 0.1767 0.1250 ( 1272 PWs) bands (ev): -32.4215 -32.4215 -13.4245 -13.4245 -12.0454 -12.0454 -11.9300 -11.9300 0.2025 0.2025 6.5448 6.5448 8.0388 8.0388 8.0569 8.0569 12.1729 12.1729 12.5650 12.5650 12.5670 12.5670 15.3684 15.3684 k = 0.3163 0.1826 0.1291 ( 1272 PWs) bands (ev): -32.4210 -32.4210 -13.4275 -13.4275 -12.0509 -12.0509 -11.9308 -11.9308 0.2548 0.2548 6.4359 6.4359 7.9911 7.9911 8.0088 8.0088 12.2296 12.2296 12.6486 12.6486 12.6507 12.6507 15.5164 15.5164 k = 0.3265 0.1885 0.1333 ( 1272 PWs) bands (ev): -32.4205 -32.4205 -13.4305 -13.4305 -12.0562 -12.0562 -11.9315 -11.9315 0.3068 0.3068 6.3305 6.3305 7.9458 7.9458 7.9631 7.9631 12.2892 12.2892 12.7333 12.7333 12.7353 12.7353 15.6615 15.6615 k = 0.3367 0.1944 0.1375 ( 1272 PWs) bands (ev): -32.4200 -32.4200 -13.4333 -13.4333 -12.0614 -12.0614 -11.9323 -11.9323 0.3581 0.3581 6.2289 6.2289 7.9031 7.9031 7.9199 7.9199 12.3519 12.3519 12.8187 12.8187 12.8206 12.8206 15.7967 15.7967 k = 0.3469 0.2003 0.1416 ( 1272 PWs) bands (ev): -32.4195 -32.4195 -13.4360 -13.4360 -12.0663 -12.0663 -11.9330 -11.9330 0.4086 0.4086 6.1314 6.1314 7.8628 7.8628 7.8792 7.8792 12.4176 12.4176 12.9046 12.9046 12.9063 12.9063 15.7744 15.7744 k = 0.3571 0.2062 0.1458 ( 1272 PWs) bands (ev): -32.4191 -32.4191 -13.4387 -13.4387 -12.0710 -12.0710 -11.9337 -11.9337 0.4579 0.4579 6.0382 6.0382 7.8250 7.8250 7.8411 7.8411 12.4865 12.4865 12.9905 12.9905 12.9919 12.9919 15.6613 15.6613 k = 0.3673 0.2121 0.1500 ( 1260 PWs) bands (ev): -32.4185 -32.4185 -13.4412 -13.4412 -12.0754 -12.0754 -11.9344 -11.9344 0.5058 0.5058 5.9495 5.9495 7.7898 7.7898 7.8056 7.8056 12.5585 12.5585 13.0761 13.0761 13.0770 13.0770 15.5403 15.5403 k = 0.3776 0.2180 0.1541 ( 1260 PWs) bands (ev): -32.4181 -32.4181 -13.4435 -13.4435 -12.0796 -12.0796 -11.9350 -11.9350 0.5519 0.5519 5.8656 5.8656 7.7571 7.7571 7.7726 7.7726 12.6336 12.6336 13.1607 13.1607 13.1611 13.1611 15.4151 15.4151 k = 0.3878 0.2239 0.1583 ( 1254 PWs) bands (ev): -32.4177 -32.4177 -13.4458 -13.4458 -12.0835 -12.0835 -11.9356 -11.9356 0.5960 0.5960 5.7869 5.7869 7.7270 7.7270 7.7422 7.7422 12.7118 12.7118 13.2435 13.2435 13.2438 13.2438 15.2874 15.2874 k = 0.3980 0.2298 0.1625 ( 1254 PWs) bands (ev): -32.4174 -32.4174 -13.4478 -13.4478 -12.0871 -12.0871 -11.9361 -11.9361 0.6377 0.6377 5.7136 5.7136 7.6995 7.6995 7.7144 7.7144 12.7929 12.7929 13.3237 13.3237 13.3247 13.3247 15.1585 15.1585 k = 0.4082 0.2357 0.1666 ( 1254 PWs) bands (ev): -32.4170 -32.4170 -13.4497 -13.4497 -12.0903 -12.0903 -11.9366 -11.9366 0.6767 0.6767 5.6461 5.6461 7.6745 7.6745 7.6892 7.6892 12.8769 12.8769 13.4008 13.4008 13.4027 13.4027 15.0293 15.0293 k = 0.4184 0.2415 0.1708 ( 1254 PWs) bands (ev): -32.4167 -32.4167 -13.4514 -13.4514 -12.0933 -12.0933 -11.9370 -11.9370 0.7127 0.7127 5.5846 5.5846 7.6522 7.6522 7.6667 7.6667 12.9635 12.9635 13.4740 13.4740 13.4768 13.4768 14.9008 14.9008 k = 0.4286 0.2474 0.1750 ( 1254 PWs) bands (ev): -32.4165 -32.4165 -13.4530 -13.4530 -12.0959 -12.0959 -11.9374 -11.9374 0.7454 0.7454 5.5294 5.5294 7.6325 7.6325 7.6468 7.6468 13.0523 13.0523 13.5424 13.5424 13.5461 13.5461 14.7739 14.7739 k = 0.4388 0.2533 0.1791 ( 1254 PWs) bands (ev): -32.4162 -32.4162 -13.4543 -13.4543 -12.0982 -12.0982 -11.9378 -11.9378 0.7745 0.7745 5.4809 5.4809 7.6154 7.6154 7.6295 7.6295 13.1430 13.1430 13.6048 13.6048 13.6095 13.6095 14.6495 14.6495 k = 0.4490 0.2592 0.1833 ( 1242 PWs) bands (ev): -32.4159 -32.4159 -13.4555 -13.4555 -12.1002 -12.1002 -11.9381 -11.9381 0.7997 0.7997 5.4394 5.4394 7.6009 7.6009 7.6149 7.6149 13.2346 13.2346 13.6603 13.6603 13.6657 13.6657 14.5291 14.5291 k = 0.4592 0.2651 0.1875 ( 1242 PWs) bands (ev): -32.4158 -32.4158 -13.4564 -13.4564 -12.1018 -12.1018 -11.9383 -11.9383 0.8207 0.8207 5.4050 5.4050 7.5890 7.5890 7.6029 7.6029 13.3256 13.3256 13.7076 13.7076 13.7135 13.7135 14.4143 14.4143 k = 0.4694 0.2710 0.1916 ( 1242 PWs) bands (ev): -32.4156 -32.4156 -13.4572 -13.4572 -12.1030 -12.1030 -11.9385 -11.9385 0.8372 0.8372 5.3780 5.3780 7.5798 7.5798 7.5936 7.5936 13.4133 13.4133 13.7458 13.7458 13.7516 13.7516 14.3084 14.3084 k = 0.4796 0.2769 0.1958 ( 1248 PWs) bands (ev): -32.4156 -32.4156 -13.4577 -13.4577 -12.1039 -12.1039 -11.9387 -11.9387 0.8492 0.8492 5.3586 5.3586 7.5732 7.5732 7.5869 7.5869 13.4923 13.4923 13.7738 13.7738 13.7788 13.7788 14.2172 14.2172 k = 0.4898 0.2828 0.2000 ( 1257 PWs) bands (ev): -32.4156 -32.4156 -13.4580 -13.4580 -12.1045 -12.1045 -11.9387 -11.9387 0.8565 0.8565 5.3468 5.3468 7.5692 7.5692 7.5829 7.5829 13.5520 13.5520 13.7910 13.7910 13.7942 13.7942 14.1514 14.1514 k = 0.5000 0.2887 0.2041 ( 1260 PWs) bands (ev): -32.4156 -32.4156 -13.4581 -13.4581 -12.1047 -12.1047 -11.9388 -11.9388 0.8589 0.8589 5.3429 5.3429 7.5679 7.5679 7.5816 7.5816 13.5753 13.5753 13.7967 13.7967 13.7989 13.7989 14.1265 14.1265 k = 0.5000 0.2887 0.2041 ( 1260 PWs) bands (ev): -32.4156 -32.4156 -13.4581 -13.4581 -12.1047 -12.1047 -11.9388 -11.9388 0.8589 0.8589 5.3429 5.3429 7.5679 7.5679 7.5816 7.5816 13.5753 13.5753 13.7967 13.7967 13.7989 13.7989 14.1265 14.1265 k = 0.5037 0.2781 0.2101 ( 1256 PWs) bands (ev): -32.4156 -32.4156 -13.4582 -13.4582 -12.1046 -12.1046 -11.9389 -11.9389 0.8584 0.8584 5.3448 5.3448 7.5680 7.5680 7.5817 7.5817 13.5512 13.5512 13.7972 13.7972 13.8250 13.8250 14.1231 14.1231 k = 0.5074 0.2674 0.2161 ( 1251 PWs) bands (ev): -32.4155 -32.4155 -13.4582 -13.4582 -12.1046 -12.1046 -11.9393 -11.9393 0.8568 0.8568 5.3504 5.3504 7.5679 7.5679 7.5823 7.5823 13.4983 13.4983 13.7955 13.7955 13.8866 13.8866 14.1134 14.1134 k = 0.5110 0.2568 0.2221 ( 1246 PWs) bands (ev): -32.4154 -32.4154 -13.4583 -13.4583 -12.1044 -12.1044 -11.9400 -11.9400 0.8542 0.8542 5.3597 5.3597 7.5670 7.5670 7.5842 7.5842 13.4365 13.4365 13.7927 13.7927 13.9603 13.9603 14.1000 14.1000 k = 0.5147 0.2462 0.2281 ( 1246 PWs) bands (ev): -32.4154 -32.4154 -13.4585 -13.4585 -12.1042 -12.1042 -11.9410 -11.9410 0.8507 0.8507 5.3726 5.3726 7.5647 7.5647 7.5879 7.5879 13.3728 13.3728 13.7888 13.7888 14.0218 14.0218 14.1006 14.1006 k = 0.5184 0.2356 0.2341 ( 1250 PWs) bands (ev): -32.4153 -32.4153 -13.4586 -13.4586 -12.1040 -12.1040 -11.9422 -11.9422 0.8461 0.8461 5.3893 5.3893 7.5609 7.5609 7.5934 7.5934 13.3094 13.3094 13.7840 13.7840 14.0211 14.0211 14.1636 14.1636 k = 0.5221 0.2250 0.2401 ( 1248 PWs) bands (ev): -32.4152 -32.4152 -13.4589 -13.4589 -12.1037 -12.1037 -11.9437 -11.9437 0.8406 0.8406 5.4095 5.4095 7.5559 7.5559 7.6005 7.6005 13.2466 13.2466 13.7784 13.7784 13.9925 13.9925 14.2544 14.2544 k = 0.5257 0.2144 0.2461 ( 1244 PWs) bands (ev): -32.4151 -32.4151 -13.4591 -13.4591 -12.1033 -12.1033 -11.9455 -11.9455 0.8342 0.8342 5.4333 5.4333 7.5497 7.5497 7.6091 7.6091 13.1845 13.1845 13.7720 13.7720 13.9574 13.9574 14.3526 14.3526 k = 0.5294 0.2038 0.2522 ( 1245 PWs) bands (ev): -32.4149 -32.4149 -13.4594 -13.4594 -12.1029 -12.1029 -11.9474 -11.9474 0.8269 0.8269 5.4605 5.4605 7.5425 7.5425 7.6190 7.6190 13.1227 13.1227 13.7650 13.7650 13.9197 13.9197 14.4548 14.4548 k = 0.5331 0.1932 0.2582 ( 1243 PWs) bands (ev): -32.4148 -32.4148 -13.4597 -13.4597 -12.1025 -12.1025 -11.9496 -11.9496 0.8188 0.8188 5.4912 5.4912 7.5344 7.5344 7.6303 7.6303 13.0604 13.0604 13.7573 13.7573 13.8820 13.8820 14.5598 14.5598 k = 0.5368 0.1825 0.2642 ( 1249 PWs) bands (ev): -32.4147 -32.4147 -13.4601 -13.4601 -12.1020 -12.1020 -11.9520 -11.9520 0.8099 0.8099 5.5252 5.5252 7.5252 7.5252 7.6427 7.6427 12.9970 12.9970 13.7488 13.7488 13.8461 13.8461 14.6667 14.6667 k = 0.5404 0.1719 0.2702 ( 1249 PWs) bands (ev): -32.4145 -32.4145 -13.4605 -13.4605 -12.1014 -12.1014 -11.9546 -11.9546 0.8003 0.8003 5.5624 5.5624 7.5152 7.5152 7.6564 7.6564 12.9319 12.9319 13.7389 13.7389 13.8143 13.8143 14.7744 14.7744 k = 0.5441 0.1613 0.2762 ( 1253 PWs) bands (ev): -32.4143 -32.4143 -13.4609 -13.4609 -12.1008 -12.1008 -11.9574 -11.9574 0.7900 0.7900 5.6028 5.6028 7.5042 7.5042 7.6712 7.6712 12.8643 12.8643 13.7271 13.7271 13.7888 13.7888 14.8816 14.8816 k = 0.5478 0.1507 0.2822 ( 1253 PWs) bands (ev): -32.4142 -32.4142 -13.4614 -13.4614 -12.1002 -12.1002 -11.9603 -11.9603 0.7792 0.7792 5.6463 5.6463 7.4924 7.4924 7.6871 7.6871 12.7939 12.7939 13.7134 13.7134 13.7709 13.7709 14.9865 14.9865 k = 0.5515 0.1401 0.2882 ( 1251 PWs) bands (ev): -32.4139 -32.4139 -13.4619 -13.4619 -12.0995 -12.0995 -11.9634 -11.9634 0.7678 0.7678 5.6926 5.6926 7.4798 7.4798 7.7041 7.7041 12.7204 12.7204 13.6996 13.6996 13.7596 13.7596 15.0863 15.0863 k = 0.5551 0.1295 0.2942 ( 1253 PWs) bands (ev): -32.4137 -32.4137 -13.4624 -13.4624 -12.0988 -12.0988 -11.9666 -11.9666 0.7559 0.7559 5.7417 5.7417 7.4664 7.4664 7.7220 7.7220 12.6436 12.6436 13.6886 13.6886 13.7529 13.7529 15.1766 15.1766 k = 0.5588 0.1189 0.3002 ( 1249 PWs) bands (ev): -32.4135 -32.4135 -13.4630 -13.4630 -12.0980 -12.0980 -11.9698 -11.9698 0.7437 0.7437 5.7935 5.7935 7.4522 7.4522 7.7408 7.7408 12.5637 12.5637 13.6820 13.6820 13.7496 13.7496 15.2512 15.2512 k = 0.5625 0.1083 0.3062 ( 1251 PWs) bands (ev): -32.4133 -32.4133 -13.4635 -13.4635 -12.0972 -12.0972 -11.9732 -11.9732 0.7311 0.7311 5.8478 5.8478 7.4374 7.4374 7.7605 7.7605 12.4811 12.4811 13.6807 13.6807 13.7490 13.7490 15.3021 15.3021 k = 0.5662 0.0976 0.3122 ( 1251 PWs) bands (ev): -32.4131 -32.4131 -13.4641 -13.4641 -12.0964 -12.0964 -11.9765 -11.9765 0.7182 0.7182 5.9045 5.9045 7.4218 7.4218 7.7810 7.7810 12.3961 12.3961 13.6848 13.6848 13.7511 13.7511 15.3228 15.3228 k = 0.5699 0.0870 0.3182 ( 1251 PWs) bands (ev): -32.4129 -32.4129 -13.4647 -13.4647 -12.0956 -12.0956 -11.9799 -11.9799 0.7051 0.7051 5.9634 5.9634 7.4055 7.4055 7.8022 7.8022 12.3091 12.3091 13.6940 13.6940 13.7561 13.7561 15.3122 15.3122 k = 0.5735 0.0764 0.3242 ( 1252 PWs) bands (ev): -32.4126 -32.4126 -13.4653 -13.4653 -12.0948 -12.0948 -11.9833 -11.9833 0.6919 0.6919 6.0243 6.0243 7.3886 7.3886 7.8241 7.8241 12.2207 12.2207 13.7075 13.7075 13.7646 13.7646 15.2760 15.2760 k = 0.5772 0.0658 0.3302 ( 1256 PWs) bands (ev): -32.4124 -32.4124 -13.4660 -13.4660 -12.0939 -12.0939 -11.9866 -11.9866 0.6785 0.6785 6.0870 6.0870 7.3710 7.3710 7.8467 7.8467 12.1313 12.1313 13.7238 13.7238 13.7779 13.7779 15.2220 15.2220 k = 0.5809 0.0552 0.3362 ( 1260 PWs) bands (ev): -32.4122 -32.4122 -13.4666 -13.4666 -12.0931 -12.0931 -11.9899 -11.9899 0.6651 0.6651 6.1515 6.1515 7.3528 7.3528 7.8698 7.8698 12.0415 12.0415 13.7412 13.7412 13.7975 13.7975 15.1572 15.1572 k = 0.5846 0.0446 0.3422 ( 1260 PWs) bands (ev): -32.4120 -32.4120 -13.4672 -13.4672 -12.0923 -12.0923 -11.9930 -11.9930 0.6518 0.6518 6.2174 6.2174 7.3341 7.3341 7.8935 7.8935 11.9516 11.9516 13.7585 13.7585 13.8242 13.8242 15.0865 15.0865 k = 0.5882 0.0340 0.3482 ( 1256 PWs) bands (ev): -32.4118 -32.4118 -13.4678 -13.4678 -12.0915 -12.0915 -11.9960 -11.9960 0.6384 0.6384 6.2847 6.2847 7.3148 7.3148 7.9176 7.9176 11.8620 11.8620 13.7759 13.7759 13.8575 13.8575 15.0130 15.0130 k = 0.5919 0.0233 0.3542 ( 1252 PWs) bands (ev): -32.4116 -32.4116 -13.4684 -13.4684 -12.0908 -12.0908 -11.9989 -11.9989 0.6252 0.6252 6.3530 6.3530 7.2949 7.2949 7.9422 7.9422 11.7731 11.7731 13.7940 13.7940 13.8965 13.8965 14.9390 14.9390 k = 0.5956 0.0127 0.3602 ( 1256 PWs) bands (ev): -32.4114 -32.4114 -13.4690 -13.4690 -12.0901 -12.0901 -12.0016 -12.0016 0.6121 0.6121 6.4222 6.4222 7.2744 7.2744 7.9671 7.9671 11.6853 11.6853 13.8135 13.8135 13.9402 13.9402 14.8662 14.8662 k = 0.5993 0.0021 0.3662 ( 1258 PWs) bands (ev): -32.4112 -32.4112 -13.4695 -13.4695 -12.0895 -12.0895 -12.0040 -12.0040 0.5992 0.5992 6.4921 6.4921 7.2534 7.2534 7.9924 7.9924 11.5988 11.5988 13.8346 13.8346 13.9878 13.9878 14.7957 14.7957 k = 0.6029-0.0085 0.3722 ( 1256 PWs) bands (ev): -32.4110 -32.4110 -13.4701 -13.4701 -12.0890 -12.0890 -12.0063 -12.0063 0.5864 0.5864 6.5625 6.5625 7.2319 7.2319 8.0179 8.0179 11.5139 11.5139 13.8575 13.8575 14.0389 14.0389 14.7285 14.7285 k = 0.6066-0.0191 0.3782 ( 1258 PWs) bands (ev): -32.4109 -32.4109 -13.4705 -13.4705 -12.0886 -12.0886 -12.0082 -12.0082 0.5739 0.5739 6.6330 6.6330 7.2100 7.2100 8.0437 8.0437 11.4308 11.4308 13.8823 13.8823 14.0928 14.0928 14.6655 14.6655 k = 0.6103-0.0297 0.3842 ( 1256 PWs) bands (ev): -32.4107 -32.4107 -13.4710 -13.4710 -12.0882 -12.0882 -12.0099 -12.0099 0.5616 0.5616 6.7035 6.7035 7.1878 7.1878 8.0697 8.0697 11.3497 11.3497 13.9088 13.9088 14.1490 14.1490 14.6075 14.6075 k = 0.6140-0.0403 0.3902 ( 1252 PWs) bands (ev): -32.4106 -32.4106 -13.4713 -13.4713 -12.0880 -12.0880 -12.0113 -12.0113 0.5495 0.5495 6.7734 6.7734 7.1654 7.1654 8.0959 8.0959 11.2707 11.2707 13.9371 13.9371 14.2067 14.2067 14.5556 14.5557 k = 0.6176-0.0509 0.3962 ( 1254 PWs) bands (ev): -32.4105 -32.4105 -13.4717 -13.4717 -12.0878 -12.0878 -12.0123 -12.0123 0.5377 0.5377 6.8423 6.8423 7.1434 7.1434 8.1222 8.1222 11.1940 11.1940 13.9668 13.9668 14.2641 14.2641 14.5116 14.5116 k = 0.6213-0.0616 0.4022 ( 1254 PWs) bands (ev): -32.4104 -32.4104 -13.4719 -13.4719 -12.0877 -12.0877 -12.0131 -12.0131 0.5261 0.5261 6.9085 6.9085 7.1231 7.1231 8.1486 8.1486 11.1195 11.1195 13.9979 13.9979 14.3169 14.3169 14.4798 14.4798 k = 0.6250-0.0722 0.4082 ( 1250 PWs) bands (ev): -32.4103 -32.4103 -13.4721 -13.4721 -12.0877 -12.0877 -12.0136 -12.0136 0.5147 0.5147 6.9674 6.9674 7.1091 7.1091 8.1752 8.1752 11.0475 11.0475 14.0300 14.0300 14.3515 14.3515 14.4738 14.4738 k = 0.6250-0.0722 0.4082 ( 1250 PWs) bands (ev): -32.4103 -32.4103 -13.4721 -13.4721 -12.0877 -12.0877 -12.0136 -12.0136 0.5147 0.5147 6.9674 6.9674 7.1091 7.1091 8.1752 8.1752 11.0475 11.0475 14.0300 14.0300 14.3515 14.3515 14.4738 14.4738 k = 0.6188-0.0686 0.4185 ( 1255 PWs) bands (ev): -32.4104 -32.4104 -13.4721 -13.4721 -12.0876 -12.0876 -12.0137 -12.0137 0.5149 0.5149 6.9684 6.9684 7.1096 7.1096 8.1714 8.1714 11.0533 11.0533 14.0193 14.0193 14.3578 14.3578 14.4641 14.4641 k = 0.6125-0.0650 0.4287 ( 1255 PWs) bands (ev): -32.4104 -32.4104 -13.4721 -13.4721 -12.0874 -12.0874 -12.0140 -12.0140 0.5153 0.5153 6.9714 6.9714 7.1111 7.1111 8.1601 8.1601 11.0705 11.0705 13.9897 13.9897 14.3731 14.3731 14.4383 14.4383 k = 0.6062-0.0613 0.4389 ( 1253 PWs) bands (ev): -32.4103 -32.4103 -13.4722 -13.4722 -12.0871 -12.0871 -12.0145 -12.0145 0.5161 0.5161 6.9763 6.9763 7.1136 7.1136 8.1416 8.1416 11.0989 11.0989 13.9457 13.9457 14.3776 14.3776 14.4167 14.4167 k = 0.6000-0.0577 0.4491 ( 1257 PWs) bands (ev): -32.4103 -32.4103 -13.4722 -13.4722 -12.0867 -12.0867 -12.0152 -12.0152 0.5171 0.5171 6.9831 6.9831 7.1170 7.1170 8.1164 8.1164 11.1379 11.1379 13.8917 13.8917 14.3371 14.3371 14.4336 14.4336 k = 0.5938-0.0541 0.4593 ( 1265 PWs) bands (ev): -32.4104 -32.4104 -13.4723 -13.4723 -12.0861 -12.0861 -12.0161 -12.0161 0.5185 0.5185 6.9918 6.9918 7.1215 7.1215 8.0851 8.0851 11.1867 11.1867 13.8301 13.8301 14.2829 14.2829 14.4587 14.4587 k = 0.5875-0.0505 0.4695 ( 1265 PWs) bands (ev): -32.4103 -32.4103 -13.4724 -13.4724 -12.0855 -12.0855 -12.0171 -12.0171 0.5200 0.5200 7.0024 7.0024 7.1271 7.1271 8.0485 8.0485 11.2446 11.2446 13.7628 13.7628 14.2242 14.2242 14.4835 14.4835 k = 0.5813-0.0469 0.4797 ( 1259 PWs) bands (ev): -32.4103 -32.4103 -13.4724 -13.4724 -12.0847 -12.0847 -12.0183 -12.0183 0.5218 0.5218 7.0148 7.0148 7.1336 7.1336 8.0072 8.0072 11.3108 11.3108 13.6908 13.6908 14.1636 14.1636 14.5066 14.5066 k = 0.5750-0.0433 0.4899 ( 1261 PWs) bands (ev): -32.4103 -32.4103 -13.4725 -13.4725 -12.0839 -12.0839 -12.0197 -12.0197 0.5238 0.5238 7.0288 7.0288 7.1412 7.1412 7.9620 7.9620 11.3843 11.3843 13.6148 13.6148 14.1027 14.1027 14.5275 14.5275 k = 0.5687-0.0397 0.5001 ( 1259 PWs) bands (ev): -32.4102 -32.4102 -13.4726 -13.4726 -12.0829 -12.0829 -12.0211 -12.0211 0.5259 0.5259 7.0446 7.0446 7.1499 7.1499 7.9137 7.9137 11.4642 11.4642 13.5354 13.5354 14.0428 14.0428 14.5459 14.5459 k = 0.5625-0.0361 0.5103 ( 1255 PWs) bands (ev): -32.4101 -32.4101 -13.4727 -13.4727 -12.0819 -12.0819 -12.0227 -12.0227 0.5281 0.5281 7.0618 7.0618 7.1597 7.1597 7.8628 7.8628 11.5497 11.5497 13.4530 13.4530 13.9851 13.9851 14.5618 14.5618 k = 0.5563-0.0325 0.5205 ( 1255 PWs) bands (ev): -32.4101 -32.4101 -13.4729 -13.4729 -12.0809 -12.0809 -12.0243 -12.0243 0.5303 0.5303 7.0806 7.0806 7.1706 7.1706 7.8100 7.8100 11.6399 11.6399 13.3680 13.3680 13.9304 13.9304 14.5753 14.5753 k = 0.5500-0.0289 0.5307 ( 1255 PWs) bands (ev): -32.4101 -32.4101 -13.4730 -13.4730 -12.0798 -12.0798 -12.0259 -12.0259 0.5326 0.5326 7.1007 7.1007 7.1827 7.1827 7.7559 7.7559 11.7340 11.7340 13.2808 13.2808 13.8796 13.8796 14.5866 14.5866 k = 0.5437-0.0253 0.5409 ( 1248 PWs) bands (ev): -32.4100 -32.4100 -13.4731 -13.4731 -12.0787 -12.0787 -12.0276 -12.0276 0.5348 0.5348 7.1219 7.1219 7.1961 7.1961 7.7009 7.7009 11.8312 11.8312 13.1916 13.1916 13.8333 13.8333 14.5957 14.5957 k = 0.5375-0.0217 0.5511 ( 1246 PWs) bands (ev): -32.4099 -32.4099 -13.4732 -13.4732 -12.0777 -12.0777 -12.0291 -12.0291 0.5369 0.5369 7.1442 7.1442 7.2108 7.2108 7.6455 7.6455 11.9306 11.9306 13.1007 13.1007 13.7922 13.7922 14.6028 14.6028 k = 0.5312-0.0180 0.5613 ( 1246 PWs) bands (ev): -32.4099 -32.4099 -13.4733 -13.4733 -12.0767 -12.0767 -12.0306 -12.0306 0.5388 0.5388 7.1673 7.1673 7.2270 7.2270 7.5901 7.5901 12.0316 12.0316 13.0085 13.0085 13.7567 13.7567 14.6082 14.6082 k = 0.5250-0.0144 0.5715 ( 1246 PWs) bands (ev): -32.4099 -32.4099 -13.4734 -13.4734 -12.0758 -12.0758 -12.0319 -12.0319 0.5405 0.5405 7.1910 7.1910 7.2448 7.2448 7.5351 7.5351 12.1333 12.1333 12.9150 12.9150 13.7273 13.7273 14.6121 14.6121 k = 0.5188-0.0108 0.5818 ( 1244 PWs) bands (ev): -32.4098 -32.4098 -13.4735 -13.4735 -12.0750 -12.0750 -12.0331 -12.0331 0.5419 0.5419 7.2148 7.2148 7.2643 7.2643 7.4809 7.4809 12.2349 12.2349 12.8207 12.8207 13.7044 13.7044 14.6147 14.6147 k = 0.5125-0.0072 0.5920 ( 1244 PWs) bands (ev): -32.4098 -32.4098 -13.4735 -13.4735 -12.0744 -12.0744 -12.0339 -12.0339 0.5430 0.5430 7.2381 7.2381 7.2856 7.2856 7.4283 7.4283 12.3358 12.3358 12.7256 12.7256 13.6882 13.6882 14.6163 14.6163 k = 0.5062-0.0036 0.6022 ( 1236 PWs) bands (ev): -32.4097 -32.4097 -13.4736 -13.4736 -12.0741 -12.0741 -12.0344 -12.0344 0.5437 0.5437 7.2597 7.2597 7.3080 7.3080 7.3795 7.3795 12.4349 12.4349 12.6303 12.6303 13.6786 13.6786 14.6171 14.6171 k = 0.5000 0.0000 0.6124 ( 1232 PWs) bands (ev): -32.4097 -32.4097 -13.4736 -13.4736 -12.0739 -12.0739 -12.0346 -12.0346 0.5440 0.5440 7.2723 7.2723 7.3222 7.3222 7.3509 7.3509 12.5197 12.5197 12.5468 12.5468 13.6755 13.6755 14.6173 14.6173 k = 0.5000 0.0000 0.6124 ( 1232 PWs) bands (ev): -32.4097 -32.4097 -13.4736 -13.4736 -12.0739 -12.0739 -12.0346 -12.0346 0.5440 0.5440 7.2723 7.2723 7.3222 7.3222 7.3509 7.3509 12.5197 12.5197 12.5468 12.5468 13.6755 13.6755 14.6173 14.6173 k = 0.5000 0.0072 0.6022 ( 1240 PWs) bands (ev): -32.4098 -32.4098 -13.4736 -13.4736 -12.0741 -12.0741 -12.0344 -12.0344 0.5444 0.5444 7.2463 7.2463 7.3130 7.3130 7.3839 7.3839 12.5189 12.5189 12.5461 12.5461 13.6827 13.6827 14.6169 14.6169 k = 0.5000 0.0144 0.5920 ( 1240 PWs) bands (ev): -32.4098 -32.4098 -13.4735 -13.4735 -12.0745 -12.0745 -12.0337 -12.0337 0.5458 0.5458 7.1937 7.1937 7.3110 7.3110 7.4317 7.4317 12.5163 12.5163 12.5444 12.5444 13.7039 13.7039 14.6158 14.6158 k = 0.5000 0.0217 0.5818 ( 1240 PWs) bands (ev): -32.4098 -32.4098 -13.4733 -13.4733 -12.0751 -12.0751 -12.0327 -12.0327 0.5482 0.5482 7.1342 7.1342 7.3119 7.3119 7.4789 7.4789 12.5116 12.5116 12.5427 12.5427 13.7382 13.7382 14.6139 14.6139 k = 0.5000 0.0289 0.5715 ( 1240 PWs) bands (ev): -32.4099 -32.4099 -13.4731 -13.4731 -12.0759 -12.0759 -12.0312 -12.0312 0.5514 0.5514 7.0715 7.0715 7.3141 7.3141 7.5235 7.5235 12.5055 12.5055 12.5418 12.5418 13.7840 13.7840 14.6114 14.6114 k = 0.5000 0.0361 0.5613 ( 1240 PWs) bands (ev): -32.4100 -32.4100 -13.4729 -13.4729 -12.0768 -12.0768 -12.0295 -12.0295 0.5556 0.5556 7.0067 7.0067 7.3171 7.3171 7.5649 7.5649 12.4988 12.4988 12.5421 12.5421 13.8395 13.8395 14.6086 14.6086 k = 0.5000 0.0433 0.5511 ( 1240 PWs) bands (ev): -32.4101 -32.4101 -13.4726 -13.4726 -12.0779 -12.0779 -12.0274 -12.0274 0.5607 0.5607 6.9403 6.9403 7.3209 7.3209 7.6028 7.6028 12.4932 12.4932 12.5433 12.5433 13.9024 13.9024 14.6063 14.6063 k = 0.5000 0.0505 0.5409 ( 1244 PWs) bands (ev): -32.4102 -32.4102 -13.4723 -13.4723 -12.0791 -12.0791 -12.0251 -12.0251 0.5665 0.5665 6.8728 6.8728 7.3253 7.3253 7.6370 7.6370 12.4899 12.4899 12.5455 12.5455 13.9702 13.9702 14.6056 14.6056 k = 0.5000 0.0577 0.5307 ( 1242 PWs) bands (ev): -32.4103 -32.4103 -13.4719 -13.4719 -12.0803 -12.0803 -12.0225 -12.0225 0.5733 0.5733 6.8043 6.8043 7.3304 7.3304 7.6673 7.6673 12.4900 12.4900 12.5488 12.5488 14.0397 14.0397 14.6086 14.6086 k = 0.5000 0.0650 0.5205 ( 1250 PWs) bands (ev): -32.4105 -32.4105 -13.4714 -13.4714 -12.0816 -12.0816 -12.0198 -12.0198 0.5807 0.5807 6.7353 6.7353 7.3361 7.3361 7.6937 7.6937 12.4943 12.4943 12.5531 12.5531 14.1069 14.1069 14.6185 14.6185 k = 0.5000 0.0722 0.5103 ( 1250 PWs) bands (ev): -32.4107 -32.4107 -13.4710 -13.4710 -12.0828 -12.0828 -12.0169 -12.0169 0.5889 0.5889 6.6659 6.6659 7.3425 7.3425 7.7161 7.7161 12.5033 12.5033 12.5587 12.5587 14.1665 14.1665 14.6398 14.6398 k = 0.5000 0.0794 0.5001 ( 1248 PWs) bands (ev): -32.4108 -32.4108 -13.4705 -13.4705 -12.0841 -12.0841 -12.0138 -12.0138 0.5979 0.5979 6.5964 6.5964 7.3494 7.3494 7.7346 7.7346 12.5173 12.5173 12.5658 12.5658 14.2129 14.2129 14.6771 14.6771 k = 0.5000 0.0866 0.4899 ( 1244 PWs) bands (ev): -32.4110 -32.4110 -13.4699 -13.4699 -12.0854 -12.0854 -12.0107 -12.0107 0.6074 0.6074 6.5270 6.5270 7.3568 7.3568 7.7494 7.7494 12.5361 12.5361 12.5749 12.5749 14.2431 14.2431 14.7332 14.7332 k = 0.5000 0.0938 0.4797 ( 1250 PWs) bands (ev): -32.4112 -32.4112 -13.4694 -13.4694 -12.0866 -12.0866 -12.0074 -12.0074 0.6175 0.6175 6.4579 6.4579 7.3648 7.3648 7.7605 7.7605 12.5584 12.5584 12.5877 12.5877 14.2577 14.2577 14.8069 14.8069 k = 0.5000 0.1010 0.4695 ( 1252 PWs) bands (ev): -32.4114 -32.4114 -13.4688 -13.4688 -12.0879 -12.0879 -12.0040 -12.0040 0.6281 0.6281 6.3894 6.3894 7.3732 7.3732 7.7681 7.7681 12.5798 12.5798 12.6087 12.6087 14.2600 14.2600 14.8940 14.8940 k = 0.5000 0.1083 0.4593 ( 1252 PWs) bands (ev): -32.4116 -32.4116 -13.4682 -13.4682 -12.0891 -12.0891 -12.0006 -12.0006 0.6392 0.6392 6.3217 6.3217 7.3821 7.3821 7.7725 7.7725 12.5970 12.5970 12.6411 12.6411 14.2539 14.2539 14.9901 14.9901 k = 0.5000 0.1155 0.4491 ( 1254 PWs) bands (ev): -32.4118 -32.4118 -13.4676 -13.4676 -12.0902 -12.0902 -11.9971 -11.9971 0.6507 0.6507 6.2550 6.2550 7.3913 7.3913 7.7738 7.7738 12.6130 12.6130 12.6819 12.6819 14.2421 14.2421 15.0910 15.0910 k = 0.5000 0.1227 0.4389 ( 1256 PWs) bands (ev): -32.4121 -32.4121 -13.4670 -13.4670 -12.0913 -12.0913 -11.9935 -11.9935 0.6625 0.6625 6.1894 6.1894 7.4009 7.4009 7.7725 7.7725 12.6300 12.6300 12.7288 12.7288 14.2266 14.2266 15.1894 15.1894 k = 0.5000 0.1299 0.4287 ( 1256 PWs) bands (ev): -32.4123 -32.4123 -13.4664 -13.4664 -12.0924 -12.0924 -11.9900 -11.9900 0.6746 0.6746 6.1252 6.1252 7.4108 7.4108 7.7687 7.7687 12.6484 12.6484 12.7809 12.7809 14.2087 14.2087 15.2598 15.2598 k = 0.5000 0.1371 0.4185 ( 1260 PWs) bands (ev): -32.4125 -32.4125 -13.4657 -13.4657 -12.0935 -12.0935 -11.9864 -11.9864 0.6868 0.6868 6.0625 6.0625 7.4209 7.4209 7.7628 7.7628 12.6688 12.6688 12.8375 12.8375 14.1894 14.1894 15.2916 15.2916 k = 0.5000 0.1443 0.4082 ( 1264 PWs) bands (ev): -32.4128 -32.4128 -13.4651 -13.4651 -12.0945 -12.0945 -11.9829 -11.9829 0.6991 0.6991 6.0016 6.0016 7.4312 7.4312 7.7550 7.7550 12.6912 12.6912 12.8982 12.8982 14.1692 14.1692 15.3035 15.3035 k = 0.5000 0.1516 0.3980 ( 1256 PWs) bands (ev): -32.4130 -32.4130 -13.4645 -13.4645 -12.0955 -12.0955 -11.9793 -11.9793 0.7115 0.7115 5.9425 5.9425 7.4416 7.4416 7.7458 7.7458 12.7158 12.7158 12.9623 12.9623 14.1487 14.1487 15.2982 15.2982 k = 0.5000 0.1588 0.3878 ( 1256 PWs) bands (ev): -32.4132 -32.4132 -13.4639 -13.4639 -12.0964 -12.0964 -11.9759 -11.9759 0.7238 0.7238 5.8854 5.8854 7.4521 7.4521 7.7352 7.7352 12.7426 12.7426 13.0293 13.0293 14.1283 14.1283 15.2743 15.2743 k = 0.5000 0.1660 0.3776 ( 1256 PWs) bands (ev): -32.4134 -32.4134 -13.4634 -13.4634 -12.0973 -12.0973 -11.9724 -11.9724 0.7360 0.7360 5.8305 5.8305 7.4625 7.4625 7.7238 7.7238 12.7717 12.7717 13.0986 13.0986 14.1083 14.1083 15.2314 15.2314 k = 0.5000 0.1732 0.3674 ( 1254 PWs) bands (ev): -32.4136 -32.4136 -13.4628 -13.4628 -12.0981 -12.0981 -11.9691 -11.9691 0.7480 0.7480 5.7779 5.7779 7.4729 7.4729 7.7116 7.7116 12.8033 12.8033 13.1696 13.1696 14.0891 14.0891 15.1710 15.1710 k = 0.5000 0.1804 0.3572 ( 1250 PWs) bands (ev): -32.4138 -32.4138 -13.4623 -13.4623 -12.0989 -12.0989 -11.9658 -11.9658 0.7597 0.7597 5.7278 5.7278 7.4832 7.4832 7.6990 7.6990 12.8372 12.8372 13.2415 13.2415 14.0709 14.0709 15.0963 15.0963 k = 0.5000 0.1876 0.3470 ( 1252 PWs) bands (ev): -32.4140 -32.4140 -13.4618 -13.4618 -12.0996 -12.0996 -11.9627 -11.9627 0.7711 0.7711 5.6803 5.6803 7.4932 7.4932 7.6862 7.6862 12.8737 12.8737 13.3135 13.3135 14.0540 14.0540 15.0107 15.0107 k = 0.5000 0.1949 0.3368 ( 1252 PWs) bands (ev): -32.4142 -32.4142 -13.4613 -13.4613 -12.1003 -12.1003 -11.9597 -11.9597 0.7820 0.7820 5.6355 5.6355 7.5030 7.5030 7.6734 7.6734 12.9127 12.9127 13.3848 13.3848 14.0389 14.0389 14.9178 14.9178 k = 0.5000 0.2021 0.3266 ( 1252 PWs) bands (ev): -32.4144 -32.4144 -13.4608 -13.4608 -12.1009 -12.1009 -11.9568 -11.9568 0.7925 0.7925 5.5936 5.5936 7.5124 7.5124 7.6608 7.6608 12.9542 12.9542 13.4543 13.4543 14.0259 14.0259 14.8202 14.8202 k = 0.5000 0.2093 0.3164 ( 1246 PWs) bands (ev): -32.4145 -32.4145 -13.4604 -13.4604 -12.1015 -12.1015 -11.9541 -11.9541 0.8024 0.8024 5.5546 5.5546 7.5214 7.5214 7.6486 7.6486 12.9984 12.9984 13.5207 13.5207 14.0156 14.0156 14.7202 14.7202 k = 0.5000 0.2165 0.3062 ( 1244 PWs) bands (ev): -32.4147 -32.4147 -13.4600 -13.4600 -12.1021 -12.1021 -11.9516 -11.9516 0.8116 0.8116 5.5187 5.5187 7.5298 7.5298 7.6370 7.6370 13.0451 13.0451 13.5828 13.5828 14.0087 14.0087 14.6193 14.6193 k = 0.5000 0.2237 0.2960 ( 1250 PWs) bands (ev): -32.4149 -32.4149 -13.4597 -13.4597 -12.1026 -12.1026 -11.9493 -11.9493 0.8202 0.8202 5.4858 5.4858 7.5377 7.5377 7.6261 7.6261 13.0945 13.0945 13.6387 13.6387 14.0063 14.0063 14.5188 14.5188 k = 0.5000 0.2309 0.2858 ( 1248 PWs) bands (ev): -32.4150 -32.4150 -13.4594 -13.4594 -12.1030 -12.1030 -11.9471 -11.9471 0.8280 0.8280 5.4563 5.4563 7.5449 7.5449 7.6161 7.6161 13.1465 13.1465 13.6867 13.6867 14.0092 14.0092 14.4196 14.4196 k = 0.5000 0.2382 0.2756 ( 1248 PWs) bands (ev): -32.4151 -32.4151 -13.4591 -13.4591 -12.1034 -12.1034 -11.9452 -11.9452 0.8351 0.8351 5.4300 5.4300 7.5513 7.5513 7.6071 7.6071 13.2010 13.2010 13.7251 13.7251 14.0182 14.0182 14.3225 14.3225 k = 0.5000 0.2454 0.2654 ( 1252 PWs) bands (ev): -32.4152 -32.4152 -13.4588 -13.4588 -12.1037 -12.1037 -11.9435 -11.9435 0.8413 0.8413 5.4071 5.4071 7.5569 7.5569 7.5992 7.5992 13.2580 13.2580 13.7533 13.7533 14.0326 14.0326 14.2285 14.2285 k = 0.5000 0.2526 0.2552 ( 1248 PWs) bands (ev): -32.4153 -32.4153 -13.4586 -13.4586 -12.1040 -12.1040 -11.9421 -11.9421 0.8466 0.8466 5.3876 5.3876 7.5615 7.5615 7.5926 7.5926 13.3173 13.3173 13.7724 13.7724 14.0487 14.0487 14.1402 14.1402 k = 0.5000 0.2598 0.2449 ( 1246 PWs) bands (ev): -32.4154 -32.4154 -13.4585 -13.4585 -12.1042 -12.1042 -11.9409 -11.9409 0.8510 0.8510 5.3716 5.3716 7.5650 7.5650 7.5875 7.5875 13.3783 13.3783 13.7844 13.7844 14.0327 14.0327 14.0891 14.0891 k = 0.5000 0.2670 0.2347 ( 1248 PWs) bands (ev): -32.4154 -32.4154 -13.4583 -13.4583 -12.1044 -12.1044 -11.9400 -11.9400 0.8544 0.8544 5.3591 5.3591 7.5671 7.5671 7.5840 7.5840 13.4402 13.4402 13.7914 13.7914 13.9583 13.9583 14.0998 14.0998 k = 0.5000 0.2742 0.2245 ( 1250 PWs) bands (ev): -32.4155 -32.4155 -13.4582 -13.4582 -12.1046 -12.1046 -11.9393 -11.9393 0.8569 0.8569 5.3501 5.3501 7.5679 7.5679 7.5823 7.5823 13.5005 13.5005 13.7953 13.7953 13.8843 13.8843 14.1138 14.1138 k = 0.5000 0.2815 0.2143 ( 1258 PWs) bands (ev): -32.4156 -32.4156 -13.4582 -13.4582 -12.1046 -12.1046 -11.9389 -11.9389 0.8584 0.8584 5.3447 5.3447 7.5680 7.5680 7.5817 7.5817 13.5520 13.5520 13.7972 13.7972 13.8241 13.8241 14.1232 14.1232 k = 0.5000 0.2887 0.2041 ( 1260 PWs) bands (ev): -32.4156 -32.4156 -13.4581 -13.4581 -12.1047 -12.1047 -11.9388 -11.9388 0.8589 0.8589 5.3429 5.3429 7.5679 7.5679 7.5816 7.5816 13.5753 13.5753 13.7967 13.7967 13.7989 13.7989 14.1265 14.1265 k = 0.5000 0.2887 0.2041 ( 1260 PWs) bands (ev): -32.4156 -32.4156 -13.4581 -13.4581 -12.1047 -12.1047 -11.9388 -11.9388 0.8589 0.8589 5.3429 5.3429 7.5679 7.5679 7.5816 7.5816 13.5753 13.5753 13.7967 13.7967 13.7989 13.7989 14.1265 14.1265 k = 0.4963 0.2866 0.2161 ( 1256 PWs) bands (ev): -32.4156 -32.4156 -13.4582 -13.4582 -12.1046 -12.1046 -11.9389 -11.9389 0.8584 0.8584 5.3448 5.3448 7.5680 7.5680 7.5817 7.5817 13.5512 13.5512 13.7972 13.7972 13.8250 13.8250 14.1231 14.1231 k = 0.4926 0.2844 0.2281 ( 1251 PWs) bands (ev): -32.4155 -32.4155 -13.4582 -13.4582 -12.1046 -12.1046 -11.9393 -11.9393 0.8568 0.8568 5.3504 5.3504 7.5679 7.5679 7.5823 7.5823 13.4983 13.4983 13.7955 13.7955 13.8866 13.8866 14.1134 14.1134 k = 0.4890 0.2823 0.2401 ( 1246 PWs) bands (ev): -32.4154 -32.4154 -13.4583 -13.4583 -12.1044 -12.1044 -11.9400 -11.9400 0.8542 0.8542 5.3597 5.3597 7.5670 7.5670 7.5842 7.5842 13.4365 13.4365 13.7927 13.7927 13.9603 13.9603 14.1000 14.1000 k = 0.4853 0.2802 0.2522 ( 1246 PWs) bands (ev): -32.4154 -32.4154 -13.4585 -13.4585 -12.1042 -12.1042 -11.9410 -11.9410 0.8507 0.8507 5.3726 5.3726 7.5647 7.5647 7.5879 7.5879 13.3728 13.3728 13.7888 13.7888 14.0218 14.0218 14.1006 14.1006 k = 0.4816 0.2781 0.2642 ( 1250 PWs) bands (ev): -32.4153 -32.4153 -13.4586 -13.4586 -12.1040 -12.1040 -11.9422 -11.9422 0.8461 0.8461 5.3893 5.3893 7.5609 7.5609 7.5934 7.5934 13.3094 13.3094 13.7840 13.7840 14.0211 14.0211 14.1636 14.1636 k = 0.4779 0.2759 0.2762 ( 1248 PWs) bands (ev): -32.4152 -32.4152 -13.4589 -13.4589 -12.1037 -12.1037 -11.9437 -11.9437 0.8406 0.8406 5.4095 5.4095 7.5559 7.5559 7.6005 7.6005 13.2466 13.2466 13.7784 13.7784 13.9925 13.9925 14.2544 14.2544 k = 0.4743 0.2738 0.2882 ( 1244 PWs) bands (ev): -32.4151 -32.4151 -13.4591 -13.4591 -12.1033 -12.1033 -11.9455 -11.9455 0.8342 0.8342 5.4333 5.4333 7.5497 7.5497 7.6091 7.6091 13.1845 13.1845 13.7720 13.7720 13.9574 13.9574 14.3526 14.3526 k = 0.4706 0.2717 0.3002 ( 1245 PWs) bands (ev): -32.4149 -32.4149 -13.4594 -13.4594 -12.1029 -12.1029 -11.9474 -11.9474 0.8269 0.8269 5.4605 5.4605 7.5425 7.5425 7.6190 7.6190 13.1227 13.1227 13.7650 13.7650 13.9197 13.9197 14.4548 14.4548 k = 0.4669 0.2696 0.3122 ( 1243 PWs) bands (ev): -32.4148 -32.4148 -13.4597 -13.4597 -12.1025 -12.1025 -11.9496 -11.9496 0.8188 0.8188 5.4912 5.4912 7.5344 7.5344 7.6303 7.6303 13.0604 13.0604 13.7573 13.7573 13.8820 13.8820 14.5598 14.5598 k = 0.4632 0.2674 0.3242 ( 1249 PWs) bands (ev): -32.4147 -32.4147 -13.4601 -13.4601 -12.1020 -12.1020 -11.9520 -11.9520 0.8099 0.8099 5.5252 5.5252 7.5252 7.5252 7.6427 7.6427 12.9970 12.9970 13.7488 13.7488 13.8461 13.8461 14.6667 14.6667 k = 0.4596 0.2653 0.3362 ( 1249 PWs) bands (ev): -32.4145 -32.4145 -13.4605 -13.4605 -12.1014 -12.1014 -11.9546 -11.9546 0.8003 0.8003 5.5624 5.5624 7.5152 7.5152 7.6564 7.6564 12.9319 12.9319 13.7389 13.7389 13.8143 13.8143 14.7744 14.7744 k = 0.4559 0.2632 0.3482 ( 1253 PWs) bands (ev): -32.4143 -32.4143 -13.4609 -13.4609 -12.1008 -12.1008 -11.9574 -11.9574 0.7900 0.7900 5.6028 5.6028 7.5042 7.5042 7.6712 7.6712 12.8643 12.8643 13.7271 13.7271 13.7888 13.7888 14.8816 14.8816 k = 0.4522 0.2611 0.3602 ( 1253 PWs) bands (ev): -32.4142 -32.4142 -13.4614 -13.4614 -12.1002 -12.1002 -11.9603 -11.9603 0.7792 0.7792 5.6463 5.6463 7.4924 7.4924 7.6871 7.6871 12.7939 12.7939 13.7134 13.7134 13.7709 13.7709 14.9865 14.9865 k = 0.4485 0.2590 0.3722 ( 1251 PWs) bands (ev): -32.4139 -32.4139 -13.4619 -13.4619 -12.0995 -12.0995 -11.9634 -11.9634 0.7678 0.7678 5.6926 5.6926 7.4798 7.4798 7.7041 7.7041 12.7204 12.7204 13.6996 13.6996 13.7596 13.7596 15.0863 15.0863 k = 0.4449 0.2568 0.3842 ( 1253 PWs) bands (ev): -32.4137 -32.4137 -13.4624 -13.4624 -12.0988 -12.0988 -11.9666 -11.9666 0.7559 0.7559 5.7417 5.7417 7.4664 7.4664 7.7220 7.7220 12.6436 12.6436 13.6886 13.6886 13.7529 13.7529 15.1766 15.1766 k = 0.4412 0.2547 0.3962 ( 1249 PWs) bands (ev): -32.4135 -32.4135 -13.4630 -13.4630 -12.0980 -12.0980 -11.9698 -11.9698 0.7437 0.7437 5.7935 5.7935 7.4522 7.4522 7.7408 7.7408 12.5637 12.5637 13.6820 13.6820 13.7496 13.7496 15.2512 15.2512 k = 0.4375 0.2526 0.4082 ( 1251 PWs) bands (ev): -32.4133 -32.4133 -13.4635 -13.4635 -12.0972 -12.0972 -11.9732 -11.9732 0.7311 0.7311 5.8478 5.8478 7.4374 7.4374 7.7605 7.7605 12.4811 12.4811 13.6807 13.6807 13.7490 13.7490 15.3021 15.3021 k = 0.4338 0.2505 0.4203 ( 1251 PWs) bands (ev): -32.4131 -32.4131 -13.4641 -13.4641 -12.0964 -12.0964 -11.9765 -11.9765 0.7182 0.7182 5.9045 5.9045 7.4218 7.4218 7.7810 7.7810 12.3961 12.3961 13.6848 13.6848 13.7511 13.7511 15.3228 15.3228 k = 0.4301 0.2483 0.4323 ( 1251 PWs) bands (ev): -32.4129 -32.4129 -13.4647 -13.4647 -12.0956 -12.0956 -11.9799 -11.9799 0.7051 0.7051 5.9634 5.9634 7.4055 7.4055 7.8022 7.8022 12.3091 12.3091 13.6940 13.6940 13.7561 13.7561 15.3122 15.3122 k = 0.4265 0.2462 0.4443 ( 1252 PWs) bands (ev): -32.4126 -32.4126 -13.4653 -13.4653 -12.0948 -12.0948 -11.9833 -11.9833 0.6919 0.6919 6.0243 6.0243 7.3886 7.3886 7.8241 7.8241 12.2207 12.2207 13.7075 13.7075 13.7646 13.7646 15.2760 15.2760 k = 0.4228 0.2441 0.4563 ( 1256 PWs) bands (ev): -32.4124 -32.4124 -13.4660 -13.4660 -12.0939 -12.0939 -11.9866 -11.9866 0.6785 0.6785 6.0870 6.0870 7.3710 7.3710 7.8467 7.8467 12.1313 12.1313 13.7238 13.7238 13.7779 13.7779 15.2220 15.2220 k = 0.4191 0.2420 0.4683 ( 1260 PWs) bands (ev): -32.4122 -32.4122 -13.4666 -13.4666 -12.0931 -12.0931 -11.9899 -11.9899 0.6651 0.6651 6.1515 6.1515 7.3528 7.3528 7.8698 7.8698 12.0415 12.0415 13.7412 13.7412 13.7975 13.7975 15.1572 15.1572 k = 0.4154 0.2399 0.4803 ( 1260 PWs) bands (ev): -32.4120 -32.4120 -13.4672 -13.4672 -12.0923 -12.0923 -11.9930 -11.9930 0.6518 0.6518 6.2174 6.2174 7.3341 7.3341 7.8935 7.8935 11.9516 11.9516 13.7585 13.7585 13.8242 13.8242 15.0865 15.0865 k = 0.4118 0.2377 0.4923 ( 1256 PWs) bands (ev): -32.4118 -32.4118 -13.4678 -13.4678 -12.0915 -12.0915 -11.9960 -11.9960 0.6384 0.6384 6.2847 6.2847 7.3148 7.3148 7.9176 7.9176 11.8620 11.8620 13.7759 13.7759 13.8575 13.8575 15.0130 15.0130 k = 0.4081 0.2356 0.5043 ( 1252 PWs) bands (ev): -32.4116 -32.4116 -13.4684 -13.4684 -12.0908 -12.0908 -11.9989 -11.9989 0.6252 0.6252 6.3530 6.3530 7.2949 7.2949 7.9422 7.9422 11.7731 11.7731 13.7940 13.7940 13.8965 13.8965 14.9390 14.9390 k = 0.4044 0.2335 0.5163 ( 1256 PWs) bands (ev): -32.4114 -32.4114 -13.4690 -13.4690 -12.0901 -12.0901 -12.0016 -12.0016 0.6121 0.6121 6.4222 6.4222 7.2744 7.2744 7.9671 7.9671 11.6853 11.6853 13.8135 13.8135 13.9402 13.9402 14.8662 14.8662 k = 0.4007 0.2314 0.5283 ( 1258 PWs) bands (ev): -32.4112 -32.4112 -13.4695 -13.4695 -12.0895 -12.0895 -12.0040 -12.0040 0.5992 0.5992 6.4921 6.4921 7.2534 7.2534 7.9924 7.9924 11.5988 11.5988 13.8346 13.8346 13.9878 13.9878 14.7957 14.7957 k = 0.3971 0.2292 0.5403 ( 1256 PWs) bands (ev): -32.4110 -32.4110 -13.4701 -13.4701 -12.0890 -12.0890 -12.0063 -12.0063 0.5864 0.5864 6.5625 6.5625 7.2319 7.2319 8.0179 8.0179 11.5139 11.5139 13.8575 13.8575 14.0389 14.0389 14.7285 14.7285 k = 0.3934 0.2271 0.5523 ( 1258 PWs) bands (ev): -32.4109 -32.4109 -13.4705 -13.4705 -12.0886 -12.0886 -12.0082 -12.0082 0.5739 0.5739 6.6330 6.6330 7.2100 7.2100 8.0437 8.0437 11.4308 11.4308 13.8823 13.8823 14.0928 14.0928 14.6655 14.6655 k = 0.3897 0.2250 0.5643 ( 1256 PWs) bands (ev): -32.4107 -32.4107 -13.4710 -13.4710 -12.0882 -12.0882 -12.0099 -12.0099 0.5616 0.5616 6.7035 6.7035 7.1878 7.1878 8.0697 8.0697 11.3497 11.3497 13.9088 13.9088 14.1490 14.1490 14.6075 14.6075 k = 0.3860 0.2229 0.5764 ( 1252 PWs) bands (ev): -32.4106 -32.4106 -13.4713 -13.4713 -12.0880 -12.0880 -12.0113 -12.0113 0.5495 0.5495 6.7734 6.7734 7.1654 7.1654 8.0959 8.0959 11.2707 11.2707 13.9371 13.9371 14.2067 14.2067 14.5556 14.5557 k = 0.3824 0.2208 0.5884 ( 1254 PWs) bands (ev): -32.4105 -32.4105 -13.4717 -13.4717 -12.0878 -12.0878 -12.0123 -12.0123 0.5377 0.5377 6.8423 6.8423 7.1434 7.1434 8.1222 8.1222 11.1940 11.1940 13.9668 13.9668 14.2641 14.2641 14.5116 14.5116 k = 0.3787 0.2186 0.6004 ( 1254 PWs) bands (ev): -32.4104 -32.4104 -13.4719 -13.4719 -12.0877 -12.0877 -12.0131 -12.0131 0.5261 0.5261 6.9085 6.9085 7.1231 7.1231 8.1486 8.1486 11.1195 11.1195 13.9979 13.9979 14.3169 14.3169 14.4798 14.4798 k = 0.3750 0.2165 0.6124 ( 1250 PWs) bands (ev): -32.4103 -32.4103 -13.4721 -13.4721 -12.0877 -12.0877 -12.0136 -12.0136 0.5147 0.5147 6.9674 6.9674 7.1091 7.1091 8.1752 8.1752 11.0475 11.0475 14.0300 14.0300 14.3515 14.3515 14.4738 14.4738 k = 0.6250-0.0722 0.4082 ( 1250 PWs) bands (ev): -32.4103 -32.4103 -13.4721 -13.4721 -12.0877 -12.0877 -12.0136 -12.0136 0.5147 0.5147 6.9674 6.9674 7.1091 7.1091 8.1752 8.1752 11.0475 11.0475 14.0300 14.0300 14.3515 14.3515 14.4738 14.4738 k = 0.6188-0.0830 0.4082 ( 1252 PWs) bands (ev): -32.4103 -32.4103 -13.4723 -13.4723 -12.0877 -12.0877 -12.0140 -12.0140 0.4954 0.4954 7.0497 7.0497 7.1044 7.1044 8.2211 8.2211 10.9286 10.9286 14.0841 14.0841 14.3805 14.3805 14.4950 14.4950 k = 0.6125-0.0938 0.4082 ( 1252 PWs) bands (ev): -32.4102 -32.4102 -13.4725 -13.4725 -12.0878 -12.0878 -12.0142 -12.0142 0.4758 0.4758 7.0697 7.0697 7.1660 7.1660 8.2683 8.2683 10.8129 10.8129 14.1355 14.1355 14.3964 14.3964 14.4450 14.4450 k = 0.6062-0.1046 0.4082 ( 1252 PWs) bands (ev): -32.4101 -32.4101 -13.4726 -13.4726 -12.0880 -12.0880 -12.0141 -12.0141 0.4561 0.4561 7.0603 7.0603 7.2604 7.2604 8.3164 8.3164 10.7002 10.7002 14.1829 14.1829 14.2909 14.2909 14.4395 14.4395 k = 0.6000-0.1155 0.4082 ( 1248 PWs) bands (ev): -32.4101 -32.4101 -13.4728 -13.4728 -12.0882 -12.0882 -12.0139 -12.0139 0.4366 0.4366 7.0495 7.0495 7.3595 7.3595 8.3652 8.3652 10.5905 10.5905 14.1500 14.1500 14.2375 14.2375 14.4603 14.4603 k = 0.5938-0.1263 0.4082 ( 1252 PWs) bands (ev): -32.4100 -32.4100 -13.4728 -13.4728 -12.0886 -12.0886 -12.0135 -12.0135 0.4173 0.4173 7.0390 7.0390 7.4610 7.4610 8.4144 8.4144 10.4835 10.4835 14.0228 14.0228 14.2789 14.2789 14.4790 14.4790 k = 0.5875-0.1371 0.4082 ( 1252 PWs) bands (ev): -32.4100 -32.4100 -13.4729 -13.4729 -12.0890 -12.0890 -12.0129 -12.0129 0.3986 0.3986 7.0291 7.0291 7.5643 7.5643 8.4638 8.4638 10.3792 10.3792 13.8981 13.8981 14.3196 14.3196 14.4928 14.4928 k = 0.5813-0.1479 0.4082 ( 1256 PWs) bands (ev): -32.4100 -32.4100 -13.4729 -13.4729 -12.0894 -12.0894 -12.0122 -12.0122 0.3804 0.3804 7.0201 7.0201 7.6689 7.6689 8.5128 8.5128 10.2774 10.2774 13.7784 13.7784 14.3573 14.3573 14.4962 14.4962 k = 0.5750-0.1588 0.4082 ( 1256 PWs) bands (ev): -32.4100 -32.4100 -13.4729 -13.4729 -12.0900 -12.0900 -12.0114 -12.0114 0.3631 0.3631 7.0118 7.0118 7.7744 7.7744 8.5612 8.5612 10.1778 10.1778 13.6643 13.6643 14.3908 14.3908 14.4870 14.4870 k = 0.5687-0.1696 0.4082 ( 1256 PWs) bands (ev): -32.4100 -32.4100 -13.4730 -13.4730 -12.0905 -12.0905 -12.0105 -12.0105 0.3466 0.3466 7.0042 7.0042 7.8805 7.8805 8.6084 8.6084 10.0801 10.0801 13.5566 13.5566 14.4157 14.4157 14.4732 14.4732 k = 0.5625-0.1804 0.4082 ( 1260 PWs) bands (ev): -32.4100 -32.4100 -13.4729 -13.4729 -12.0910 -12.0910 -12.0096 -12.0096 0.3312 0.3312 6.9974 6.9974 7.9867 7.9867 8.6542 8.6542 9.9843 9.9843 13.4555 13.4555 14.4149 14.4149 14.4753 14.4753 k = 0.5563-0.1912 0.4082 ( 1260 PWs) bands (ev): -32.4100 -32.4100 -13.4729 -13.4729 -12.0916 -12.0916 -12.0086 -12.0086 0.3169 0.3169 6.9913 6.9913 8.0928 8.0928 8.6979 8.6979 9.8899 9.8899 13.3618 13.3618 14.3892 14.3892 14.4947 14.4947 k = 0.5500-0.2021 0.4082 ( 1264 PWs) bands (ev): -32.4100 -32.4100 -13.4729 -13.4729 -12.0921 -12.0921 -12.0077 -12.0077 0.3039 0.3039 6.9859 6.9859 8.1984 8.1984 8.7391 8.7391 9.7968 9.7968 13.2758 13.2758 14.3558 14.3558 14.5159 14.5159 k = 0.5437-0.2129 0.4082 ( 1264 PWs) bands (ev): -32.4100 -32.4100 -13.4729 -13.4729 -12.0926 -12.0926 -12.0069 -12.0069 0.2921 0.2921 6.9812 6.9812 8.3030 8.3030 8.7773 8.7773 9.7047 9.7047 13.1983 13.1983 14.3203 14.3203 14.5349 14.5349 k = 0.5375-0.2237 0.4082 ( 1260 PWs) bands (ev): -32.4100 -32.4100 -13.4729 -13.4729 -12.0931 -12.0931 -12.0061 -12.0061 0.2818 0.2818 6.9771 6.9771 8.4062 8.4062 8.8121 8.8121 9.6134 9.6134 13.1296 13.1296 14.2853 14.2853 14.5511 14.5511 k = 0.5312-0.2345 0.4082 ( 1260 PWs) bands (ev): -32.4100 -32.4100 -13.4729 -13.4729 -12.0935 -12.0935 -12.0054 -12.0054 0.2730 0.2730 6.9737 6.9737 8.5074 8.5074 8.8430 8.8430 9.5229 9.5229 13.0704 13.0704 14.2526 14.2526 14.5642 14.5642 k = 0.5250-0.2454 0.4082 ( 1256 PWs) bands (ev): -32.4100 -32.4100 -13.4728 -13.4728 -12.0938 -12.0938 -12.0047 -12.0047 0.2657 0.2657 6.9710 6.9710 8.6056 8.6056 8.8700 8.8700 9.4333 9.4333 13.0212 13.0212 14.2237 14.2237 14.5744 14.5744 k = 0.5188-0.2562 0.4082 ( 1254 PWs) bands (ev): -32.4099 -32.4099 -13.4728 -13.4728 -12.0941 -12.0941 -12.0043 -12.0043 0.2600 0.2600 6.9688 6.9688 8.6987 8.6987 8.8936 8.8936 9.3453 9.3453 12.9823 12.9823 14.2000 14.2000 14.5819 14.5819 k = 0.5125-0.2670 0.4082 ( 1252 PWs) bands (ev): -32.4099 -32.4099 -13.4728 -13.4728 -12.0943 -12.0943 -12.0039 -12.0039 0.2558 0.2558 6.9673 6.9673 8.7812 8.7812 8.9163 8.9163 9.2611 9.2611 12.9543 12.9543 14.1823 14.1823 14.5870 14.5870 k = 0.5062-0.2778 0.4082 ( 1252 PWs) bands (ev): -32.4099 -32.4099 -13.4728 -13.4728 -12.0944 -12.0944 -12.0037 -12.0037 0.2534 0.2534 6.9664 6.9664 8.8389 8.8389 8.9443 8.9443 9.1882 9.1882 12.9374 12.9374 14.1714 14.1714 14.5900 14.5900 k = 0.5000-0.2887 0.4082 ( 1266 PWs) bands (ev): -32.4100 -32.4100 -13.4728 -13.4728 -12.0944 -12.0944 -12.0036 -12.0036 0.2525 0.2525 6.9661 6.9661 8.8578 8.8578 8.9646 8.9646 9.1533 9.1533 12.9317 12.9317 14.1677 14.1677 14.5909 14.5909 Writing output data file YP.save init_run : 0.60s CPU 0.73s WALL ( 1 calls) electrons : 32.56s CPU 33.57s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 32.56s CPU 33.57s 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 : 0.03s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 370 calls) cegterg : 29.39s CPU 30.10s WALL ( 433 calls) Called by sum_band: Called by *egterg: h_psi : 13.49s CPU 13.74s WALL ( 6767 calls) s_psi : 0.74s CPU 0.80s WALL ( 6767 calls) g_psi : 0.05s CPU 0.04s WALL ( 5964 calls) cdiaghg : 15.17s CPU 15.56s WALL ( 6334 calls) cegterg:over : 0.84s CPU 0.92s WALL ( 5964 calls) cegterg:upda : 0.57s CPU 0.68s WALL ( 5964 calls) cegterg:last : 0.32s CPU 0.36s WALL ( 1173 calls) cdiaghg:chol : 0.67s CPU 0.80s WALL ( 6334 calls) cdiaghg:inve : 0.26s CPU 0.24s WALL ( 6334 calls) cdiaghg:para : 1.06s CPU 1.05s WALL ( 12668 calls) Called by h_psi: h_psi:vloc : 11.66s CPU 11.91s WALL ( 6767 calls) h_psi:vnl : 1.80s CPU 1.80s WALL ( 6767 calls) add_vuspsi : 1.10s CPU 1.03s WALL ( 6767 calls) General routines calbec : 0.68s CPU 0.75s WALL ( 6767 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 10.70s CPU 10.96s WALL ( 352516 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.07s CPU 0.07s WALL ( 740 calls) Parallel routines fft_scatter : 6.56s CPU 6.74s WALL ( 352539 calls) PWSCF : 40.03s CPU 51.19s WALL This run was terminated on: 21: 9:31 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=