Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:53:48 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: ./CdO.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D 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 47 13 4 1287 198 35 Max 48 14 5 1289 214 38 Sum 1711 499 163 46367 7391 1291 bravais-lattice index = 14 lattice parameter (alat) = 6.2266 a.u. unit-cell volume = 170.7019 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.226602 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Cd 12.00 112.41100 Cd( 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= 447 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022371 k( 2) = ( 0.0073529 -0.0042452 0.0060037), wk = 0.0022371 k( 3) = ( 0.0147059 -0.0084904 0.0120073), wk = 0.0022371 k( 4) = ( 0.0220588 -0.0127357 0.0180110), wk = 0.0022371 k( 5) = ( 0.0294118 -0.0169809 0.0240146), wk = 0.0022371 k( 6) = ( 0.0367647 -0.0212261 0.0300183), wk = 0.0022371 k( 7) = ( 0.0441177 -0.0254713 0.0360219), wk = 0.0022371 k( 8) = ( 0.0514706 -0.0297166 0.0420256), wk = 0.0022371 k( 9) = ( 0.0588235 -0.0339618 0.0480292), wk = 0.0022371 k( 10) = ( 0.0661765 -0.0382070 0.0540329), wk = 0.0022371 k( 11) = ( 0.0735294 -0.0424522 0.0600365), wk = 0.0022371 k( 12) = ( 0.0808824 -0.0466974 0.0660402), wk = 0.0022371 k( 13) = ( 0.0882353 -0.0509427 0.0720438), wk = 0.0022371 k( 14) = ( 0.0955882 -0.0551879 0.0780475), wk = 0.0022371 k( 15) = ( 0.1029412 -0.0594331 0.0840511), wk = 0.0022371 k( 16) = ( 0.1102941 -0.0636783 0.0900548), wk = 0.0022371 k( 17) = ( 0.1176471 -0.0679236 0.0960584), wk = 0.0022371 k( 18) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0022371 k( 19) = ( 0.1323529 -0.0764140 0.1080657), wk = 0.0022371 k( 20) = ( 0.1397059 -0.0806592 0.1140694), wk = 0.0022371 k( 21) = ( 0.1470588 -0.0849044 0.1200730), wk = 0.0022371 k( 22) = ( 0.1544118 -0.0891497 0.1260767), wk = 0.0022371 k( 23) = ( 0.1617647 -0.0933949 0.1320803), wk = 0.0022371 k( 24) = ( 0.1691177 -0.0976401 0.1380840), wk = 0.0022371 k( 25) = ( 0.1764706 -0.1018853 0.1440876), wk = 0.0022371 k( 26) = ( 0.1838235 -0.1061306 0.1500913), wk = 0.0022371 k( 27) = ( 0.1911765 -0.1103758 0.1560949), wk = 0.0022371 k( 28) = ( 0.1985294 -0.1146210 0.1620986), wk = 0.0022371 k( 29) = ( 0.2058823 -0.1188662 0.1681022), wk = 0.0022371 k( 30) = ( 0.2132353 -0.1231115 0.1741059), wk = 0.0022371 k( 31) = ( 0.2205882 -0.1273567 0.1801095), wk = 0.0022371 k( 32) = ( 0.2279412 -0.1316019 0.1861132), wk = 0.0022371 k( 33) = ( 0.2352941 -0.1358471 0.1921168), wk = 0.0022371 k( 34) = ( 0.2426471 -0.1400923 0.1981205), wk = 0.0022371 k( 35) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0022371 k( 36) = ( 0.2573529 -0.1485828 0.2101278), wk = 0.0022371 k( 37) = ( 0.2647059 -0.1528280 0.2161314), wk = 0.0022371 k( 38) = ( 0.2720588 -0.1570732 0.2221351), wk = 0.0022371 k( 39) = ( 0.2794118 -0.1613185 0.2281387), wk = 0.0022371 k( 40) = ( 0.2867647 -0.1655637 0.2341424), wk = 0.0022371 k( 41) = ( 0.2941177 -0.1698089 0.2401461), wk = 0.0022371 k( 42) = ( 0.3014706 -0.1740541 0.2461497), wk = 0.0022371 k( 43) = ( 0.3088235 -0.1782993 0.2521534), wk = 0.0022371 k( 44) = ( 0.3161765 -0.1825446 0.2581570), wk = 0.0022371 k( 45) = ( 0.3235294 -0.1867898 0.2641607), wk = 0.0022371 k( 46) = ( 0.3308823 -0.1910350 0.2701643), wk = 0.0022371 k( 47) = ( 0.3382353 -0.1952802 0.2761680), wk = 0.0022371 k( 48) = ( 0.3455882 -0.1995255 0.2821716), wk = 0.0022371 k( 49) = ( 0.3529412 -0.2037707 0.2881753), wk = 0.0022371 k( 50) = ( 0.3602941 -0.2080159 0.2941789), wk = 0.0022371 k( 51) = ( 0.3676471 -0.2122611 0.3001826), wk = 0.0022371 k( 52) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0022371 k( 53) = ( 0.3823529 -0.2207516 0.3121899), wk = 0.0022371 k( 54) = ( 0.3897059 -0.2249968 0.3181935), wk = 0.0022371 k( 55) = ( 0.3970588 -0.2292420 0.3241972), wk = 0.0022371 k( 56) = ( 0.4044118 -0.2334872 0.3302008), wk = 0.0022371 k( 57) = ( 0.4117647 -0.2377325 0.3362045), wk = 0.0022371 k( 58) = ( 0.4191177 -0.2419777 0.3422081), wk = 0.0022371 k( 59) = ( 0.4264706 -0.2462229 0.3482118), wk = 0.0022371 k( 60) = ( 0.4338235 -0.2504681 0.3542154), wk = 0.0022371 k( 61) = ( 0.4411765 -0.2547134 0.3602191), wk = 0.0022371 k( 62) = ( 0.4485294 -0.2589586 0.3662227), wk = 0.0022371 k( 63) = ( 0.4558823 -0.2632038 0.3722264), wk = 0.0022371 k( 64) = ( 0.4632353 -0.2674490 0.3782300), wk = 0.0022371 k( 65) = ( 0.4705882 -0.2716942 0.3842337), wk = 0.0022371 k( 66) = ( 0.4779412 -0.2759395 0.3902373), wk = 0.0022371 k( 67) = ( 0.4852941 -0.2801847 0.3962410), wk = 0.0022371 k( 68) = ( 0.4926471 -0.2844299 0.4022446), wk = 0.0022371 k( 69) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0022371 k( 70) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0022371 k( 71) = ( 0.5000000 -0.2801847 0.4142519), wk = 0.0022371 k( 72) = ( 0.5000000 -0.2716942 0.4202556), wk = 0.0022371 k( 73) = ( 0.5000000 -0.2632038 0.4262592), wk = 0.0022371 k( 74) = ( 0.5000000 -0.2547134 0.4322629), wk = 0.0022371 k( 75) = ( 0.5000000 -0.2462229 0.4382666), wk = 0.0022371 k( 76) = ( 0.5000000 -0.2377325 0.4442702), wk = 0.0022371 k( 77) = ( 0.5000000 -0.2292420 0.4502739), wk = 0.0022371 k( 78) = ( 0.5000000 -0.2207516 0.4562775), wk = 0.0022371 k( 79) = ( 0.5000000 -0.2122611 0.4622812), wk = 0.0022371 k( 80) = ( 0.5000000 -0.2037707 0.4682848), wk = 0.0022371 k( 81) = ( 0.5000000 -0.1952802 0.4742885), wk = 0.0022371 k( 82) = ( 0.5000000 -0.1867898 0.4802921), wk = 0.0022371 k( 83) = ( 0.5000000 -0.1782993 0.4862958), wk = 0.0022371 k( 84) = ( 0.5000000 -0.1698089 0.4922994), wk = 0.0022371 k( 85) = ( 0.5000000 -0.1613185 0.4983031), wk = 0.0022371 k( 86) = ( 0.5000000 -0.1528280 0.5043067), wk = 0.0022371 k( 87) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0022371 k( 88) = ( 0.5000000 -0.1358471 0.5163140), wk = 0.0022371 k( 89) = ( 0.5000000 -0.1273567 0.5223177), wk = 0.0022371 k( 90) = ( 0.5000000 -0.1188662 0.5283213), wk = 0.0022371 k( 91) = ( 0.5000000 -0.1103758 0.5343250), wk = 0.0022371 k( 92) = ( 0.5000000 -0.1018853 0.5403286), wk = 0.0022371 k( 93) = ( 0.5000000 -0.0933949 0.5463323), wk = 0.0022371 k( 94) = ( 0.5000000 -0.0849044 0.5523359), wk = 0.0022371 k( 95) = ( 0.5000000 -0.0764140 0.5583396), wk = 0.0022371 k( 96) = ( 0.5000000 -0.0679236 0.5643432), wk = 0.0022371 k( 97) = ( 0.5000000 -0.0594331 0.5703469), wk = 0.0022371 k( 98) = ( 0.5000000 -0.0509427 0.5763505), wk = 0.0022371 k( 99) = ( 0.5000000 -0.0424522 0.5823542), wk = 0.0022371 k( 100) = ( 0.5000000 -0.0339618 0.5883578), wk = 0.0022371 k( 101) = ( 0.5000000 -0.0254713 0.5943615), wk = 0.0022371 k( 102) = ( 0.5000000 -0.0169809 0.6003651), wk = 0.0022371 k( 103) = ( 0.5000000 -0.0084904 0.6063688), wk = 0.0022371 k( 104) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0022371 k( 105) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0022371 k( 106) = ( 0.4947917 0.0090211 0.6123724), wk = 0.0022371 k( 107) = ( 0.4895833 0.0180422 0.6123724), wk = 0.0022371 k( 108) = ( 0.4843750 0.0270633 0.6123724), wk = 0.0022371 k( 109) = ( 0.4791667 0.0360844 0.6123724), wk = 0.0022371 k( 110) = ( 0.4739583 0.0451055 0.6123724), wk = 0.0022371 k( 111) = ( 0.4687500 0.0541266 0.6123724), wk = 0.0022371 k( 112) = ( 0.4635417 0.0631477 0.6123724), wk = 0.0022371 k( 113) = ( 0.4583333 0.0721688 0.6123724), wk = 0.0022371 k( 114) = ( 0.4531250 0.0811899 0.6123724), wk = 0.0022371 k( 115) = ( 0.4479167 0.0902110 0.6123724), wk = 0.0022371 k( 116) = ( 0.4427083 0.0992321 0.6123724), wk = 0.0022371 k( 117) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0022371 k( 118) = ( 0.4322917 0.1172743 0.6123724), wk = 0.0022371 k( 119) = ( 0.4270833 0.1262954 0.6123724), wk = 0.0022371 k( 120) = ( 0.4218750 0.1353165 0.6123724), wk = 0.0022371 k( 121) = ( 0.4166667 0.1443376 0.6123724), wk = 0.0022371 k( 122) = ( 0.4114583 0.1533587 0.6123724), wk = 0.0022371 k( 123) = ( 0.4062500 0.1623798 0.6123724), wk = 0.0022371 k( 124) = ( 0.4010417 0.1714009 0.6123724), wk = 0.0022371 k( 125) = ( 0.3958333 0.1804220 0.6123724), wk = 0.0022371 k( 126) = ( 0.3906250 0.1894431 0.6123724), wk = 0.0022371 k( 127) = ( 0.3854167 0.1984641 0.6123724), wk = 0.0022371 k( 128) = ( 0.3802083 0.2074853 0.6123724), wk = 0.0022371 k( 129) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0022371 k( 130) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0022371 k( 131) = ( 0.3697917 0.2134993 0.6038673), wk = 0.0022371 k( 132) = ( 0.3645833 0.2104923 0.5953621), wk = 0.0022371 k( 133) = ( 0.3593750 0.2074853 0.5868569), wk = 0.0022371 k( 134) = ( 0.3541667 0.2044782 0.5783517), wk = 0.0022371 k( 135) = ( 0.3489583 0.2014712 0.5698466), wk = 0.0022371 k( 136) = ( 0.3437500 0.1984642 0.5613414), wk = 0.0022371 k( 137) = ( 0.3385417 0.1954571 0.5528362), wk = 0.0022371 k( 138) = ( 0.3333333 0.1924501 0.5443311), wk = 0.0022371 k( 139) = ( 0.3281250 0.1894431 0.5358259), wk = 0.0022371 k( 140) = ( 0.3229167 0.1864360 0.5273207), wk = 0.0022371 k( 141) = ( 0.3177083 0.1834290 0.5188155), wk = 0.0022371 k( 142) = ( 0.3125000 0.1804220 0.5103104), wk = 0.0022371 k( 143) = ( 0.3072917 0.1774149 0.5018052), wk = 0.0022371 k( 144) = ( 0.3020833 0.1744079 0.4933000), wk = 0.0022371 k( 145) = ( 0.2968750 0.1714009 0.4847948), wk = 0.0022371 k( 146) = ( 0.2916667 0.1683938 0.4762897), wk = 0.0022371 k( 147) = ( 0.2864583 0.1653868 0.4677845), wk = 0.0022371 k( 148) = ( 0.2812500 0.1623798 0.4592793), wk = 0.0022371 k( 149) = ( 0.2760417 0.1593727 0.4507741), wk = 0.0022371 k( 150) = ( 0.2708333 0.1563657 0.4422690), wk = 0.0022371 k( 151) = ( 0.2656250 0.1533587 0.4337638), wk = 0.0022371 k( 152) = ( 0.2604167 0.1503516 0.4252586), wk = 0.0022371 k( 153) = ( 0.2552083 0.1473446 0.4167535), wk = 0.0022371 k( 154) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0022371 k( 155) = ( 0.2447917 0.1413305 0.3997431), wk = 0.0022371 k( 156) = ( 0.2395833 0.1383235 0.3912380), wk = 0.0022371 k( 157) = ( 0.2343750 0.1353165 0.3827328), wk = 0.0022371 k( 158) = ( 0.2291667 0.1323094 0.3742276), wk = 0.0022371 k( 159) = ( 0.2239583 0.1293024 0.3657224), wk = 0.0022371 k( 160) = ( 0.2187500 0.1262954 0.3572173), wk = 0.0022371 k( 161) = ( 0.2135417 0.1232883 0.3487121), wk = 0.0022371 k( 162) = ( 0.2083333 0.1202813 0.3402069), wk = 0.0022371 k( 163) = ( 0.2031250 0.1172743 0.3317017), wk = 0.0022371 k( 164) = ( 0.1979167 0.1142672 0.3231966), wk = 0.0022371 k( 165) = ( 0.1927083 0.1112602 0.3146914), wk = 0.0022371 k( 166) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0022371 k( 167) = ( 0.1822917 0.1052461 0.2976810), wk = 0.0022371 k( 168) = ( 0.1770833 0.1022391 0.2891759), wk = 0.0022371 k( 169) = ( 0.1718750 0.0992321 0.2806707), wk = 0.0022371 k( 170) = ( 0.1666667 0.0962250 0.2721655), wk = 0.0022371 k( 171) = ( 0.1614583 0.0932180 0.2636604), wk = 0.0022371 k( 172) = ( 0.1562500 0.0902110 0.2551552), wk = 0.0022371 k( 173) = ( 0.1510417 0.0872039 0.2466500), wk = 0.0022371 k( 174) = ( 0.1458333 0.0841969 0.2381448), wk = 0.0022371 k( 175) = ( 0.1406250 0.0811899 0.2296397), wk = 0.0022371 k( 176) = ( 0.1354167 0.0781829 0.2211345), wk = 0.0022371 k( 177) = ( 0.1302083 0.0751758 0.2126293), wk = 0.0022371 k( 178) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0022371 k( 179) = ( 0.1197917 0.0691618 0.1956190), wk = 0.0022371 k( 180) = ( 0.1145833 0.0661547 0.1871138), wk = 0.0022371 k( 181) = ( 0.1093750 0.0631477 0.1786086), wk = 0.0022371 k( 182) = ( 0.1041667 0.0601407 0.1701034), wk = 0.0022371 k( 183) = ( 0.0989583 0.0571336 0.1615983), wk = 0.0022371 k( 184) = ( 0.0937500 0.0541266 0.1530931), wk = 0.0022371 k( 185) = ( 0.0885417 0.0511196 0.1445879), wk = 0.0022371 k( 186) = ( 0.0833333 0.0481125 0.1360828), wk = 0.0022371 k( 187) = ( 0.0781250 0.0451055 0.1275776), wk = 0.0022371 k( 188) = ( 0.0729167 0.0420985 0.1190724), wk = 0.0022371 k( 189) = ( 0.0677083 0.0390914 0.1105673), wk = 0.0022371 k( 190) = ( 0.0625000 0.0360844 0.1020621), wk = 0.0022371 k( 191) = ( 0.0572917 0.0330774 0.0935569), wk = 0.0022371 k( 192) = ( 0.0520833 0.0300703 0.0850517), wk = 0.0022371 k( 193) = ( 0.0468750 0.0270633 0.0765466), wk = 0.0022371 k( 194) = ( 0.0416667 0.0240563 0.0680414), wk = 0.0022371 k( 195) = ( 0.0364583 0.0210492 0.0595362), wk = 0.0022371 k( 196) = ( 0.0312500 0.0180422 0.0510310), wk = 0.0022371 k( 197) = ( 0.0260417 0.0150352 0.0425259), wk = 0.0022371 k( 198) = ( 0.0208333 0.0120281 0.0340207), wk = 0.0022371 k( 199) = ( 0.0156250 0.0090211 0.0255155), wk = 0.0022371 k( 200) = ( 0.0104167 0.0060141 0.0170103), wk = 0.0022371 k( 201) = ( 0.0052083 0.0030070 0.0085052), wk = 0.0022371 k( 202) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022371 k( 203) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022371 k( 204) = ( 0.0084746 0.0048928 0.0034597), wk = 0.0022371 k( 205) = ( 0.0169491 0.0097856 0.0069195), wk = 0.0022371 k( 206) = ( 0.0254237 0.0146784 0.0103792), wk = 0.0022371 k( 207) = ( 0.0338983 0.0195712 0.0138389), wk = 0.0022371 k( 208) = ( 0.0423729 0.0244640 0.0172987), wk = 0.0022371 k( 209) = ( 0.0508475 0.0293568 0.0207584), wk = 0.0022371 k( 210) = ( 0.0593220 0.0342496 0.0242181), wk = 0.0022371 k( 211) = ( 0.0677966 0.0391424 0.0276779), wk = 0.0022371 k( 212) = ( 0.0762712 0.0440352 0.0311376), wk = 0.0022371 k( 213) = ( 0.0847458 0.0489280 0.0345973), wk = 0.0022371 k( 214) = ( 0.0932203 0.0538208 0.0380570), wk = 0.0022371 k( 215) = ( 0.1016949 0.0587136 0.0415168), wk = 0.0022371 k( 216) = ( 0.1101695 0.0636064 0.0449765), wk = 0.0022371 k( 217) = ( 0.1186441 0.0684992 0.0484362), wk = 0.0022371 k( 218) = ( 0.1271186 0.0733920 0.0518960), wk = 0.0022371 k( 219) = ( 0.1355932 0.0782848 0.0553557), wk = 0.0022371 k( 220) = ( 0.1440678 0.0831776 0.0588154), wk = 0.0022371 k( 221) = ( 0.1525424 0.0880704 0.0622752), wk = 0.0022371 k( 222) = ( 0.1610169 0.0929632 0.0657349), wk = 0.0022371 k( 223) = ( 0.1694915 0.0978560 0.0691946), wk = 0.0022371 k( 224) = ( 0.1779661 0.1027488 0.0726544), wk = 0.0022371 k( 225) = ( 0.1864407 0.1076416 0.0761141), wk = 0.0022371 k( 226) = ( 0.1949153 0.1125344 0.0795738), wk = 0.0022371 k( 227) = ( 0.2033898 0.1174272 0.0830336), wk = 0.0022371 k( 228) = ( 0.2118644 0.1223200 0.0864933), wk = 0.0022371 k( 229) = ( 0.2203390 0.1272128 0.0899530), wk = 0.0022371 k( 230) = ( 0.2288136 0.1321056 0.0934127), wk = 0.0022371 k( 231) = ( 0.2372881 0.1369984 0.0968725), wk = 0.0022371 k( 232) = ( 0.2457627 0.1418912 0.1003322), wk = 0.0022371 k( 233) = ( 0.2542373 0.1467840 0.1037919), wk = 0.0022371 k( 234) = ( 0.2627119 0.1516768 0.1072517), wk = 0.0022371 k( 235) = ( 0.2711864 0.1565696 0.1107114), wk = 0.0022371 k( 236) = ( 0.2796610 0.1614624 0.1141711), wk = 0.0022371 k( 237) = ( 0.2881356 0.1663552 0.1176309), wk = 0.0022371 k( 238) = ( 0.2966102 0.1712480 0.1210906), wk = 0.0022371 k( 239) = ( 0.3050848 0.1761408 0.1245503), wk = 0.0022371 k( 240) = ( 0.3135593 0.1810336 0.1280101), wk = 0.0022371 k( 241) = ( 0.3220339 0.1859264 0.1314698), wk = 0.0022371 k( 242) = ( 0.3305085 0.1908192 0.1349295), wk = 0.0022371 k( 243) = ( 0.3389831 0.1957120 0.1383893), wk = 0.0022371 k( 244) = ( 0.3474576 0.2006048 0.1418490), wk = 0.0022371 k( 245) = ( 0.3559322 0.2054976 0.1453087), wk = 0.0022371 k( 246) = ( 0.3644068 0.2103904 0.1487684), wk = 0.0022371 k( 247) = ( 0.3728814 0.2152832 0.1522282), wk = 0.0022371 k( 248) = ( 0.3813559 0.2201759 0.1556879), wk = 0.0022371 k( 249) = ( 0.3898305 0.2250687 0.1591476), wk = 0.0022371 k( 250) = ( 0.3983051 0.2299615 0.1626074), wk = 0.0022371 k( 251) = ( 0.4067797 0.2348543 0.1660671), wk = 0.0022371 k( 252) = ( 0.4152542 0.2397471 0.1695268), wk = 0.0022371 k( 253) = ( 0.4237288 0.2446399 0.1729866), wk = 0.0022371 k( 254) = ( 0.4322034 0.2495327 0.1764463), wk = 0.0022371 k( 255) = ( 0.4406780 0.2544255 0.1799060), wk = 0.0022371 k( 256) = ( 0.4491525 0.2593183 0.1833658), wk = 0.0022371 k( 257) = ( 0.4576271 0.2642111 0.1868255), wk = 0.0022371 k( 258) = ( 0.4661017 0.2691039 0.1902852), wk = 0.0022371 k( 259) = ( 0.4745763 0.2739967 0.1937450), wk = 0.0022371 k( 260) = ( 0.4830508 0.2788895 0.1972047), wk = 0.0022371 k( 261) = ( 0.4915254 0.2837823 0.2006644), wk = 0.0022371 k( 262) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0022371 k( 263) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0022371 k( 264) = ( 0.5029762 0.2800836 0.2089842), wk = 0.0022371 k( 265) = ( 0.5059524 0.2714921 0.2138443), wk = 0.0022371 k( 266) = ( 0.5089286 0.2629006 0.2187044), wk = 0.0022371 k( 267) = ( 0.5119048 0.2543091 0.2235645), wk = 0.0022371 k( 268) = ( 0.5148810 0.2457175 0.2284246), wk = 0.0022371 k( 269) = ( 0.5178571 0.2371260 0.2332847), wk = 0.0022371 k( 270) = ( 0.5208333 0.2285345 0.2381448), wk = 0.0022371 k( 271) = ( 0.5238095 0.2199430 0.2430049), wk = 0.0022371 k( 272) = ( 0.5267857 0.2113514 0.2478650), wk = 0.0022371 k( 273) = ( 0.5297619 0.2027599 0.2527251), wk = 0.0022371 k( 274) = ( 0.5327381 0.1941684 0.2575852), wk = 0.0022371 k( 275) = ( 0.5357143 0.1855769 0.2624453), wk = 0.0022371 k( 276) = ( 0.5386905 0.1769854 0.2673054), wk = 0.0022371 k( 277) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0022371 k( 278) = ( 0.5446429 0.1598023 0.2770256), wk = 0.0022371 k( 279) = ( 0.5476190 0.1512108 0.2818857), wk = 0.0022371 k( 280) = ( 0.5505952 0.1426193 0.2867458), wk = 0.0022371 k( 281) = ( 0.5535714 0.1340277 0.2916059), wk = 0.0022371 k( 282) = ( 0.5565476 0.1254362 0.2964660), wk = 0.0022371 k( 283) = ( 0.5595238 0.1168447 0.3013261), wk = 0.0022371 k( 284) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0022371 k( 285) = ( 0.5654762 0.0996617 0.3110463), wk = 0.0022371 k( 286) = ( 0.5684524 0.0910701 0.3159064), wk = 0.0022371 k( 287) = ( 0.5714286 0.0824786 0.3207665), wk = 0.0022371 k( 288) = ( 0.5744048 0.0738871 0.3256266), wk = 0.0022371 k( 289) = ( 0.5773810 0.0652956 0.3304867), wk = 0.0022371 k( 290) = ( 0.5803571 0.0567040 0.3353468), wk = 0.0022371 k( 291) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0022371 k( 292) = ( 0.5863095 0.0395210 0.3450670), wk = 0.0022371 k( 293) = ( 0.5892857 0.0309295 0.3499271), wk = 0.0022371 k( 294) = ( 0.5922619 0.0223380 0.3547872), wk = 0.0022371 k( 295) = ( 0.5952381 0.0137464 0.3596473), wk = 0.0022371 k( 296) = ( 0.5982143 0.0051549 0.3645074), wk = 0.0022371 k( 297) = ( 0.6011905 -0.0034366 0.3693675), wk = 0.0022371 k( 298) = ( 0.6041667 -0.0120281 0.3742276), wk = 0.0022371 k( 299) = ( 0.6071429 -0.0206196 0.3790877), wk = 0.0022371 k( 300) = ( 0.6101190 -0.0292112 0.3839478), wk = 0.0022371 k( 301) = ( 0.6130952 -0.0378027 0.3888079), wk = 0.0022371 k( 302) = ( 0.6160714 -0.0463942 0.3936680), wk = 0.0022371 k( 303) = ( 0.6190476 -0.0549857 0.3985281), wk = 0.0022371 k( 304) = ( 0.6220238 -0.0635773 0.4033882), wk = 0.0022371 k( 305) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0022371 k( 306) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0022371 k( 307) = ( 0.6197917 -0.0691618 0.4167535), wk = 0.0022371 k( 308) = ( 0.6145833 -0.0661547 0.4252586), wk = 0.0022371 k( 309) = ( 0.6093750 -0.0631477 0.4337638), wk = 0.0022371 k( 310) = ( 0.6041667 -0.0601407 0.4422690), wk = 0.0022371 k( 311) = ( 0.5989583 -0.0571336 0.4507742), wk = 0.0022371 k( 312) = ( 0.5937500 -0.0541266 0.4592793), wk = 0.0022371 k( 313) = ( 0.5885417 -0.0511196 0.4677845), wk = 0.0022371 k( 314) = ( 0.5833333 -0.0481125 0.4762897), wk = 0.0022371 k( 315) = ( 0.5781250 -0.0451055 0.4847948), wk = 0.0022371 k( 316) = ( 0.5729167 -0.0420985 0.4933000), wk = 0.0022371 k( 317) = ( 0.5677083 -0.0390914 0.5018052), wk = 0.0022371 k( 318) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0022371 k( 319) = ( 0.5572917 -0.0330774 0.5188155), wk = 0.0022371 k( 320) = ( 0.5520833 -0.0300703 0.5273207), wk = 0.0022371 k( 321) = ( 0.5468750 -0.0270633 0.5358259), wk = 0.0022371 k( 322) = ( 0.5416667 -0.0240563 0.5443310), wk = 0.0022371 k( 323) = ( 0.5364583 -0.0210492 0.5528362), wk = 0.0022371 k( 324) = ( 0.5312500 -0.0180422 0.5613414), wk = 0.0022371 k( 325) = ( 0.5260417 -0.0150352 0.5698466), wk = 0.0022371 k( 326) = ( 0.5208333 -0.0120281 0.5783518), wk = 0.0022371 k( 327) = ( 0.5156250 -0.0090211 0.5868569), wk = 0.0022371 k( 328) = ( 0.5104167 -0.0060141 0.5953621), wk = 0.0022371 k( 329) = ( 0.5052083 -0.0030070 0.6038673), wk = 0.0022371 k( 330) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0022371 k( 331) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0022371 k( 332) = ( 0.5000000 0.0060141 0.6038673), wk = 0.0022371 k( 333) = ( 0.5000000 0.0120281 0.5953621), wk = 0.0022371 k( 334) = ( 0.5000000 0.0180422 0.5868569), wk = 0.0022371 k( 335) = ( 0.5000000 0.0240563 0.5783518), wk = 0.0022371 k( 336) = ( 0.5000000 0.0300703 0.5698466), wk = 0.0022371 k( 337) = ( 0.5000000 0.0360844 0.5613414), wk = 0.0022371 k( 338) = ( 0.5000000 0.0420985 0.5528362), wk = 0.0022371 k( 339) = ( 0.5000000 0.0481125 0.5443310), wk = 0.0022371 k( 340) = ( 0.5000000 0.0541266 0.5358259), wk = 0.0022371 k( 341) = ( 0.5000000 0.0601406 0.5273207), wk = 0.0022371 k( 342) = ( 0.5000000 0.0661547 0.5188155), wk = 0.0022371 k( 343) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0022371 k( 344) = ( 0.5000000 0.0781828 0.5018052), wk = 0.0022371 k( 345) = ( 0.5000000 0.0841969 0.4933000), wk = 0.0022371 k( 346) = ( 0.5000000 0.0902110 0.4847948), wk = 0.0022371 k( 347) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0022371 k( 348) = ( 0.5000000 0.1022391 0.4677845), wk = 0.0022371 k( 349) = ( 0.5000000 0.1082532 0.4592793), wk = 0.0022371 k( 350) = ( 0.5000000 0.1142672 0.4507742), wk = 0.0022371 k( 351) = ( 0.5000000 0.1202813 0.4422690), wk = 0.0022371 k( 352) = ( 0.5000000 0.1262954 0.4337638), wk = 0.0022371 k( 353) = ( 0.5000000 0.1323094 0.4252586), wk = 0.0022371 k( 354) = ( 0.5000000 0.1383235 0.4167535), wk = 0.0022371 k( 355) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0022371 k( 356) = ( 0.5000000 0.1503516 0.3997431), wk = 0.0022371 k( 357) = ( 0.5000000 0.1563657 0.3912379), wk = 0.0022371 k( 358) = ( 0.5000000 0.1623798 0.3827328), wk = 0.0022371 k( 359) = ( 0.5000000 0.1683938 0.3742276), wk = 0.0022371 k( 360) = ( 0.5000000 0.1744079 0.3657224), wk = 0.0022371 k( 361) = ( 0.5000000 0.1804220 0.3572173), wk = 0.0022371 k( 362) = ( 0.5000000 0.1864360 0.3487121), wk = 0.0022371 k( 363) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0022371 k( 364) = ( 0.5000000 0.1984642 0.3317017), wk = 0.0022371 k( 365) = ( 0.5000000 0.2044782 0.3231966), wk = 0.0022371 k( 366) = ( 0.5000000 0.2104923 0.3146914), wk = 0.0022371 k( 367) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0022371 k( 368) = ( 0.5000000 0.2225204 0.2976811), wk = 0.0022371 k( 369) = ( 0.5000000 0.2285345 0.2891759), wk = 0.0022371 k( 370) = ( 0.5000000 0.2345485 0.2806707), wk = 0.0022371 k( 371) = ( 0.5000000 0.2405626 0.2721655), wk = 0.0022371 k( 372) = ( 0.5000000 0.2465767 0.2636603), wk = 0.0022371 k( 373) = ( 0.5000000 0.2525907 0.2551552), wk = 0.0022371 k( 374) = ( 0.5000000 0.2586048 0.2466500), wk = 0.0022371 k( 375) = ( 0.5000000 0.2646189 0.2381448), wk = 0.0022371 k( 376) = ( 0.5000000 0.2706329 0.2296397), wk = 0.0022371 k( 377) = ( 0.5000000 0.2766470 0.2211345), wk = 0.0022371 k( 378) = ( 0.5000000 0.2826611 0.2126293), wk = 0.0022371 k( 379) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0022371 k( 380) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0022371 k( 381) = ( 0.4970238 0.2869568 0.2138443), wk = 0.0022371 k( 382) = ( 0.4940476 0.2852385 0.2235645), wk = 0.0022371 k( 383) = ( 0.4910714 0.2835202 0.2332847), wk = 0.0022371 k( 384) = ( 0.4880952 0.2818019 0.2430049), wk = 0.0022371 k( 385) = ( 0.4851190 0.2800836 0.2527251), wk = 0.0022371 k( 386) = ( 0.4821429 0.2783653 0.2624453), wk = 0.0022371 k( 387) = ( 0.4791667 0.2766470 0.2721655), wk = 0.0022371 k( 388) = ( 0.4761905 0.2749287 0.2818857), wk = 0.0022371 k( 389) = ( 0.4732143 0.2732104 0.2916059), wk = 0.0022371 k( 390) = ( 0.4702381 0.2714921 0.3013261), wk = 0.0022371 k( 391) = ( 0.4672619 0.2697738 0.3110463), wk = 0.0022371 k( 392) = ( 0.4642857 0.2680555 0.3207665), wk = 0.0022371 k( 393) = ( 0.4613095 0.2663372 0.3304867), wk = 0.0022371 k( 394) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0022371 k( 395) = ( 0.4553571 0.2629006 0.3499271), wk = 0.0022371 k( 396) = ( 0.4523810 0.2611823 0.3596473), wk = 0.0022371 k( 397) = ( 0.4494048 0.2594640 0.3693675), wk = 0.0022371 k( 398) = ( 0.4464286 0.2577457 0.3790877), wk = 0.0022371 k( 399) = ( 0.4434524 0.2560274 0.3888079), wk = 0.0022371 k( 400) = ( 0.4404762 0.2543090 0.3985281), wk = 0.0022371 k( 401) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0022371 k( 402) = ( 0.4345238 0.2508724 0.4179685), wk = 0.0022371 k( 403) = ( 0.4315476 0.2491541 0.4276887), wk = 0.0022371 k( 404) = ( 0.4285714 0.2474358 0.4374089), wk = 0.0022371 k( 405) = ( 0.4255952 0.2457175 0.4471291), wk = 0.0022371 k( 406) = ( 0.4226190 0.2439992 0.4568493), wk = 0.0022371 k( 407) = ( 0.4196429 0.2422809 0.4665695), wk = 0.0022371 k( 408) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0022371 k( 409) = ( 0.4136905 0.2388443 0.4860099), wk = 0.0022371 k( 410) = ( 0.4107143 0.2371260 0.4957301), wk = 0.0022371 k( 411) = ( 0.4077381 0.2354077 0.5054503), wk = 0.0022371 k( 412) = ( 0.4047619 0.2336894 0.5151705), wk = 0.0022371 k( 413) = ( 0.4017857 0.2319711 0.5248907), wk = 0.0022371 k( 414) = ( 0.3988095 0.2302528 0.5346109), wk = 0.0022371 k( 415) = ( 0.3958333 0.2285345 0.5443311), wk = 0.0022371 k( 416) = ( 0.3928571 0.2268162 0.5540512), wk = 0.0022371 k( 417) = ( 0.3898810 0.2250979 0.5637715), wk = 0.0022371 k( 418) = ( 0.3869048 0.2233796 0.5734917), wk = 0.0022371 k( 419) = ( 0.3839286 0.2216613 0.5832118), wk = 0.0022371 k( 420) = ( 0.3809524 0.2199430 0.5929320), wk = 0.0022371 k( 421) = ( 0.3779762 0.2182247 0.6026522), wk = 0.0022371 k( 422) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0022371 k( 423) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0022371 k( 424) = ( 0.6197917 -0.0811899 0.4082483), wk = 0.0022371 k( 425) = ( 0.6145833 -0.0902110 0.4082483), wk = 0.0022371 k( 426) = ( 0.6093750 -0.0992321 0.4082483), wk = 0.0022371 k( 427) = ( 0.6041667 -0.1082532 0.4082483), wk = 0.0022371 k( 428) = ( 0.5989583 -0.1172743 0.4082483), wk = 0.0022371 k( 429) = ( 0.5937500 -0.1262954 0.4082483), wk = 0.0022371 k( 430) = ( 0.5885417 -0.1353165 0.4082483), wk = 0.0022371 k( 431) = ( 0.5833333 -0.1443376 0.4082483), wk = 0.0022371 k( 432) = ( 0.5781250 -0.1533587 0.4082483), wk = 0.0022371 k( 433) = ( 0.5729167 -0.1623798 0.4082483), wk = 0.0022371 k( 434) = ( 0.5677083 -0.1714009 0.4082483), wk = 0.0022371 k( 435) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0022371 k( 436) = ( 0.5572917 -0.1894431 0.4082483), wk = 0.0022371 k( 437) = ( 0.5520833 -0.1984641 0.4082483), wk = 0.0022371 k( 438) = ( 0.5468750 -0.2074853 0.4082483), wk = 0.0022371 k( 439) = ( 0.5416667 -0.2165064 0.4082483), wk = 0.0022371 k( 440) = ( 0.5364583 -0.2255274 0.4082483), wk = 0.0022371 k( 441) = ( 0.5312500 -0.2345485 0.4082483), wk = 0.0022371 k( 442) = ( 0.5260417 -0.2435697 0.4082483), wk = 0.0022371 k( 443) = ( 0.5208333 -0.2525907 0.4082483), wk = 0.0022371 k( 444) = ( 0.5156250 -0.2616118 0.4082483), wk = 0.0022371 k( 445) = ( 0.5104167 -0.2706329 0.4082483), wk = 0.0022371 k( 446) = ( 0.5052083 -0.2796540 0.4082483), wk = 0.0022371 k( 447) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0022371 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022371 k( 2) = ( 0.0073529 -0.0000000 0.0073529), wk = 0.0022371 k( 3) = ( 0.0147059 -0.0000000 0.0147059), wk = 0.0022371 k( 4) = ( 0.0220588 0.0000000 0.0220588), wk = 0.0022371 k( 5) = ( 0.0294118 -0.0000000 0.0294118), wk = 0.0022371 k( 6) = ( 0.0367647 0.0000000 0.0367647), wk = 0.0022371 k( 7) = ( 0.0441177 0.0000000 0.0441177), wk = 0.0022371 k( 8) = ( 0.0514706 -0.0000000 0.0514706), wk = 0.0022371 k( 9) = ( 0.0588235 -0.0000000 0.0588235), wk = 0.0022371 k( 10) = ( 0.0661765 0.0000000 0.0661765), wk = 0.0022371 k( 11) = ( 0.0735294 0.0000000 0.0735294), wk = 0.0022371 k( 12) = ( 0.0808824 0.0000000 0.0808824), wk = 0.0022371 k( 13) = ( 0.0882353 0.0000000 0.0882353), wk = 0.0022371 k( 14) = ( 0.0955882 -0.0000000 0.0955882), wk = 0.0022371 k( 15) = ( 0.1029412 -0.0000000 0.1029412), wk = 0.0022371 k( 16) = ( 0.1102941 -0.0000000 0.1102941), wk = 0.0022371 k( 17) = ( 0.1176471 -0.0000000 0.1176471), wk = 0.0022371 k( 18) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0022371 k( 19) = ( 0.1323529 0.0000000 0.1323529), wk = 0.0022371 k( 20) = ( 0.1397059 0.0000000 0.1397059), wk = 0.0022371 k( 21) = ( 0.1470588 0.0000000 0.1470588), wk = 0.0022371 k( 22) = ( 0.1544118 -0.0000000 0.1544118), wk = 0.0022371 k( 23) = ( 0.1617647 0.0000000 0.1617647), wk = 0.0022371 k( 24) = ( 0.1691177 -0.0000000 0.1691177), wk = 0.0022371 k( 25) = ( 0.1764706 0.0000000 0.1764706), wk = 0.0022371 k( 26) = ( 0.1838235 -0.0000000 0.1838235), wk = 0.0022371 k( 27) = ( 0.1911765 -0.0000000 0.1911765), wk = 0.0022371 k( 28) = ( 0.1985294 -0.0000000 0.1985294), wk = 0.0022371 k( 29) = ( 0.2058823 -0.0000000 0.2058824), wk = 0.0022371 k( 30) = ( 0.2132353 -0.0000000 0.2132353), wk = 0.0022371 k( 31) = ( 0.2205882 -0.0000000 0.2205882), wk = 0.0022371 k( 32) = ( 0.2279412 -0.0000000 0.2279412), wk = 0.0022371 k( 33) = ( 0.2352941 -0.0000000 0.2352941), wk = 0.0022371 k( 34) = ( 0.2426471 -0.0000000 0.2426471), wk = 0.0022371 k( 35) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0022371 k( 36) = ( 0.2573529 0.0000000 0.2573529), wk = 0.0022371 k( 37) = ( 0.2647059 0.0000000 0.2647059), wk = 0.0022371 k( 38) = ( 0.2720588 -0.0000000 0.2720588), wk = 0.0022371 k( 39) = ( 0.2794118 0.0000000 0.2794118), wk = 0.0022371 k( 40) = ( 0.2867647 -0.0000000 0.2867647), wk = 0.0022371 k( 41) = ( 0.2941177 0.0000000 0.2941177), wk = 0.0022371 k( 42) = ( 0.3014706 0.0000000 0.3014706), wk = 0.0022371 k( 43) = ( 0.3088235 0.0000000 0.3088235), wk = 0.0022371 k( 44) = ( 0.3161765 -0.0000000 0.3161765), wk = 0.0022371 k( 45) = ( 0.3235294 -0.0000000 0.3235294), wk = 0.0022371 k( 46) = ( 0.3308823 -0.0000000 0.3308823), wk = 0.0022371 k( 47) = ( 0.3382353 0.0000000 0.3382353), wk = 0.0022371 k( 48) = ( 0.3455882 -0.0000000 0.3455882), wk = 0.0022371 k( 49) = ( 0.3529412 0.0000000 0.3529412), wk = 0.0022371 k( 50) = ( 0.3602941 -0.0000000 0.3602941), wk = 0.0022371 k( 51) = ( 0.3676471 -0.0000000 0.3676471), wk = 0.0022371 k( 52) = ( 0.3750000 -0.0000000 0.3750000), wk = 0.0022371 k( 53) = ( 0.3823529 -0.0000000 0.3823529), wk = 0.0022371 k( 54) = ( 0.3897059 0.0000000 0.3897059), wk = 0.0022371 k( 55) = ( 0.3970588 -0.0000000 0.3970588), wk = 0.0022371 k( 56) = ( 0.4044118 -0.0000000 0.4044118), wk = 0.0022371 k( 57) = ( 0.4117647 -0.0000000 0.4117647), wk = 0.0022371 k( 58) = ( 0.4191177 -0.0000000 0.4191177), wk = 0.0022371 k( 59) = ( 0.4264706 -0.0000000 0.4264706), wk = 0.0022371 k( 60) = ( 0.4338235 -0.0000000 0.4338235), wk = 0.0022371 k( 61) = ( 0.4411765 -0.0000000 0.4411765), wk = 0.0022371 k( 62) = ( 0.4485294 0.0000000 0.4485294), wk = 0.0022371 k( 63) = ( 0.4558823 -0.0000000 0.4558824), wk = 0.0022371 k( 64) = ( 0.4632353 -0.0000000 0.4632353), wk = 0.0022371 k( 65) = ( 0.4705882 -0.0000000 0.4705882), wk = 0.0022371 k( 66) = ( 0.4779412 -0.0000000 0.4779412), wk = 0.0022371 k( 67) = ( 0.4852941 -0.0000000 0.4852941), wk = 0.0022371 k( 68) = ( 0.4926471 -0.0000000 0.4926471), wk = 0.0022371 k( 69) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022371 k( 70) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022371 k( 71) = ( 0.5000000 0.0073529 0.5073529), wk = 0.0022371 k( 72) = ( 0.5000000 0.0147059 0.5147059), wk = 0.0022371 k( 73) = ( 0.5000000 0.0220588 0.5220588), wk = 0.0022371 k( 74) = ( 0.5000000 0.0294118 0.5294118), wk = 0.0022371 k( 75) = ( 0.5000000 0.0367647 0.5367647), wk = 0.0022371 k( 76) = ( 0.5000000 0.0441176 0.5441177), wk = 0.0022371 k( 77) = ( 0.5000000 0.0514706 0.5514706), wk = 0.0022371 k( 78) = ( 0.5000000 0.0588235 0.5588235), wk = 0.0022371 k( 79) = ( 0.5000000 0.0661765 0.5661765), wk = 0.0022371 k( 80) = ( 0.5000000 0.0735294 0.5735294), wk = 0.0022371 k( 81) = ( 0.5000000 0.0808823 0.5808823), wk = 0.0022371 k( 82) = ( 0.5000000 0.0882353 0.5882353), wk = 0.0022371 k( 83) = ( 0.5000000 0.0955882 0.5955882), wk = 0.0022371 k( 84) = ( 0.5000000 0.1029412 0.6029412), wk = 0.0022371 k( 85) = ( 0.5000000 0.1102941 0.6102941), wk = 0.0022371 k( 86) = ( 0.5000000 0.1176471 0.6176471), wk = 0.0022371 k( 87) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0022371 k( 88) = ( 0.5000000 0.1323529 0.6323529), wk = 0.0022371 k( 89) = ( 0.5000000 0.1397059 0.6397059), wk = 0.0022371 k( 90) = ( 0.5000000 0.1470588 0.6470588), wk = 0.0022371 k( 91) = ( 0.5000000 0.1544118 0.6544118), wk = 0.0022371 k( 92) = ( 0.5000000 0.1617647 0.6617647), wk = 0.0022371 k( 93) = ( 0.5000000 0.1691177 0.6691177), wk = 0.0022371 k( 94) = ( 0.5000000 0.1764706 0.6764706), wk = 0.0022371 k( 95) = ( 0.5000000 0.1838235 0.6838235), wk = 0.0022371 k( 96) = ( 0.5000000 0.1911765 0.6911765), wk = 0.0022371 k( 97) = ( 0.5000000 0.1985294 0.6985294), wk = 0.0022371 k( 98) = ( 0.5000000 0.2058823 0.7058823), wk = 0.0022371 k( 99) = ( 0.5000000 0.2132353 0.7132353), wk = 0.0022371 k( 100) = ( 0.5000000 0.2205882 0.7205882), wk = 0.0022371 k( 101) = ( 0.5000000 0.2279412 0.7279412), wk = 0.0022371 k( 102) = ( 0.5000000 0.2352941 0.7352941), wk = 0.0022371 k( 103) = ( 0.5000000 0.2426471 0.7426471), wk = 0.0022371 k( 104) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0022371 k( 105) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0022371 k( 106) = ( 0.4947917 0.2552083 0.7500000), wk = 0.0022371 k( 107) = ( 0.4895833 0.2604167 0.7500000), wk = 0.0022371 k( 108) = ( 0.4843750 0.2656250 0.7500000), wk = 0.0022371 k( 109) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0022371 k( 110) = ( 0.4739583 0.2760417 0.7500000), wk = 0.0022371 k( 111) = ( 0.4687500 0.2812500 0.7500000), wk = 0.0022371 k( 112) = ( 0.4635417 0.2864583 0.7500000), wk = 0.0022371 k( 113) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0022371 k( 114) = ( 0.4531250 0.2968750 0.7500000), wk = 0.0022371 k( 115) = ( 0.4479167 0.3020833 0.7500000), wk = 0.0022371 k( 116) = ( 0.4427083 0.3072917 0.7500000), wk = 0.0022371 k( 117) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0022371 k( 118) = ( 0.4322917 0.3177083 0.7500000), wk = 0.0022371 k( 119) = ( 0.4270833 0.3229167 0.7500000), wk = 0.0022371 k( 120) = ( 0.4218750 0.3281250 0.7500000), wk = 0.0022371 k( 121) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0022371 k( 122) = ( 0.4114583 0.3385417 0.7500000), wk = 0.0022371 k( 123) = ( 0.4062500 0.3437500 0.7500000), wk = 0.0022371 k( 124) = ( 0.4010417 0.3489583 0.7500000), wk = 0.0022371 k( 125) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0022371 k( 126) = ( 0.3906250 0.3593750 0.7500000), wk = 0.0022371 k( 127) = ( 0.3854167 0.3645833 0.7500000), wk = 0.0022371 k( 128) = ( 0.3802083 0.3697917 0.7500000), wk = 0.0022371 k( 129) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0022371 k( 130) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0022371 k( 131) = ( 0.3697917 0.3697917 0.7395833), wk = 0.0022371 k( 132) = ( 0.3645833 0.3645833 0.7291667), wk = 0.0022371 k( 133) = ( 0.3593750 0.3593750 0.7187500), wk = 0.0022371 k( 134) = ( 0.3541667 0.3541667 0.7083333), wk = 0.0022371 k( 135) = ( 0.3489583 0.3489583 0.6979167), wk = 0.0022371 k( 136) = ( 0.3437500 0.3437500 0.6875000), wk = 0.0022371 k( 137) = ( 0.3385417 0.3385417 0.6770833), wk = 0.0022371 k( 138) = ( 0.3333333 0.3333333 0.6666667), wk = 0.0022371 k( 139) = ( 0.3281250 0.3281250 0.6562500), wk = 0.0022371 k( 140) = ( 0.3229167 0.3229167 0.6458333), wk = 0.0022371 k( 141) = ( 0.3177083 0.3177083 0.6354167), wk = 0.0022371 k( 142) = ( 0.3125000 0.3125000 0.6250000), wk = 0.0022371 k( 143) = ( 0.3072917 0.3072917 0.6145833), wk = 0.0022371 k( 144) = ( 0.3020833 0.3020833 0.6041667), wk = 0.0022371 k( 145) = ( 0.2968750 0.2968750 0.5937500), wk = 0.0022371 k( 146) = ( 0.2916667 0.2916667 0.5833333), wk = 0.0022371 k( 147) = ( 0.2864583 0.2864583 0.5729167), wk = 0.0022371 k( 148) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0022371 k( 149) = ( 0.2760417 0.2760417 0.5520833), wk = 0.0022371 k( 150) = ( 0.2708333 0.2708333 0.5416667), wk = 0.0022371 k( 151) = ( 0.2656250 0.2656250 0.5312500), wk = 0.0022371 k( 152) = ( 0.2604167 0.2604167 0.5208333), wk = 0.0022371 k( 153) = ( 0.2552083 0.2552083 0.5104167), wk = 0.0022371 k( 154) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0022371 k( 155) = ( 0.2447917 0.2447917 0.4895833), wk = 0.0022371 k( 156) = ( 0.2395833 0.2395833 0.4791667), wk = 0.0022371 k( 157) = ( 0.2343750 0.2343750 0.4687500), wk = 0.0022371 k( 158) = ( 0.2291667 0.2291667 0.4583333), wk = 0.0022371 k( 159) = ( 0.2239583 0.2239583 0.4479167), wk = 0.0022371 k( 160) = ( 0.2187500 0.2187500 0.4375000), wk = 0.0022371 k( 161) = ( 0.2135417 0.2135417 0.4270833), wk = 0.0022371 k( 162) = ( 0.2083333 0.2083333 0.4166667), wk = 0.0022371 k( 163) = ( 0.2031250 0.2031250 0.4062500), wk = 0.0022371 k( 164) = ( 0.1979167 0.1979167 0.3958333), wk = 0.0022371 k( 165) = ( 0.1927083 0.1927083 0.3854167), wk = 0.0022371 k( 166) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0022371 k( 167) = ( 0.1822917 0.1822917 0.3645833), wk = 0.0022371 k( 168) = ( 0.1770833 0.1770833 0.3541667), wk = 0.0022371 k( 169) = ( 0.1718750 0.1718750 0.3437500), wk = 0.0022371 k( 170) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0022371 k( 171) = ( 0.1614583 0.1614583 0.3229167), wk = 0.0022371 k( 172) = ( 0.1562500 0.1562500 0.3125000), wk = 0.0022371 k( 173) = ( 0.1510417 0.1510417 0.3020833), wk = 0.0022371 k( 174) = ( 0.1458333 0.1458333 0.2916667), wk = 0.0022371 k( 175) = ( 0.1406250 0.1406250 0.2812500), wk = 0.0022371 k( 176) = ( 0.1354167 0.1354167 0.2708333), wk = 0.0022371 k( 177) = ( 0.1302083 0.1302083 0.2604167), wk = 0.0022371 k( 178) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0022371 k( 179) = ( 0.1197917 0.1197917 0.2395833), wk = 0.0022371 k( 180) = ( 0.1145833 0.1145833 0.2291667), wk = 0.0022371 k( 181) = ( 0.1093750 0.1093750 0.2187500), wk = 0.0022371 k( 182) = ( 0.1041667 0.1041667 0.2083333), wk = 0.0022371 k( 183) = ( 0.0989583 0.0989583 0.1979167), wk = 0.0022371 k( 184) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0022371 k( 185) = ( 0.0885417 0.0885417 0.1770833), wk = 0.0022371 k( 186) = ( 0.0833333 0.0833333 0.1666667), wk = 0.0022371 k( 187) = ( 0.0781250 0.0781250 0.1562500), wk = 0.0022371 k( 188) = ( 0.0729167 0.0729167 0.1458333), wk = 0.0022371 k( 189) = ( 0.0677083 0.0677083 0.1354167), wk = 0.0022371 k( 190) = ( 0.0625000 0.0625000 0.1250000), wk = 0.0022371 k( 191) = ( 0.0572917 0.0572917 0.1145833), wk = 0.0022371 k( 192) = ( 0.0520833 0.0520833 0.1041667), wk = 0.0022371 k( 193) = ( 0.0468750 0.0468750 0.0937500), wk = 0.0022371 k( 194) = ( 0.0416667 0.0416667 0.0833333), wk = 0.0022371 k( 195) = ( 0.0364583 0.0364583 0.0729167), wk = 0.0022371 k( 196) = ( 0.0312500 0.0312500 0.0625000), wk = 0.0022371 k( 197) = ( 0.0260417 0.0260417 0.0520833), wk = 0.0022371 k( 198) = ( 0.0208333 0.0208333 0.0416667), wk = 0.0022371 k( 199) = ( 0.0156250 0.0156250 0.0312500), wk = 0.0022371 k( 200) = ( 0.0104167 0.0104167 0.0208333), wk = 0.0022371 k( 201) = ( 0.0052083 0.0052083 0.0104167), wk = 0.0022371 k( 202) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022371 k( 203) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022371 k( 204) = ( 0.0084746 0.0084746 0.0084746), wk = 0.0022371 k( 205) = ( 0.0169491 0.0169492 0.0169492), wk = 0.0022371 k( 206) = ( 0.0254237 0.0254237 0.0254237), wk = 0.0022371 k( 207) = ( 0.0338983 0.0338983 0.0338983), wk = 0.0022371 k( 208) = ( 0.0423729 0.0423729 0.0423729), wk = 0.0022371 k( 209) = ( 0.0508475 0.0508475 0.0508475), wk = 0.0022371 k( 210) = ( 0.0593220 0.0593220 0.0593220), wk = 0.0022371 k( 211) = ( 0.0677966 0.0677966 0.0677966), wk = 0.0022371 k( 212) = ( 0.0762712 0.0762712 0.0762712), wk = 0.0022371 k( 213) = ( 0.0847458 0.0847458 0.0847458), wk = 0.0022371 k( 214) = ( 0.0932203 0.0932203 0.0932203), wk = 0.0022371 k( 215) = ( 0.1016949 0.1016949 0.1016949), wk = 0.0022371 k( 216) = ( 0.1101695 0.1101695 0.1101695), wk = 0.0022371 k( 217) = ( 0.1186441 0.1186441 0.1186441), wk = 0.0022371 k( 218) = ( 0.1271186 0.1271186 0.1271186), wk = 0.0022371 k( 219) = ( 0.1355932 0.1355932 0.1355932), wk = 0.0022371 k( 220) = ( 0.1440678 0.1440678 0.1440678), wk = 0.0022371 k( 221) = ( 0.1525424 0.1525424 0.1525424), wk = 0.0022371 k( 222) = ( 0.1610169 0.1610169 0.1610169), wk = 0.0022371 k( 223) = ( 0.1694915 0.1694915 0.1694915), wk = 0.0022371 k( 224) = ( 0.1779661 0.1779661 0.1779661), wk = 0.0022371 k( 225) = ( 0.1864407 0.1864407 0.1864407), wk = 0.0022371 k( 226) = ( 0.1949153 0.1949153 0.1949153), wk = 0.0022371 k( 227) = ( 0.2033898 0.2033898 0.2033898), wk = 0.0022371 k( 228) = ( 0.2118644 0.2118644 0.2118644), wk = 0.0022371 k( 229) = ( 0.2203390 0.2203390 0.2203390), wk = 0.0022371 k( 230) = ( 0.2288136 0.2288136 0.2288136), wk = 0.0022371 k( 231) = ( 0.2372881 0.2372881 0.2372881), wk = 0.0022371 k( 232) = ( 0.2457627 0.2457627 0.2457627), wk = 0.0022371 k( 233) = ( 0.2542373 0.2542373 0.2542373), wk = 0.0022371 k( 234) = ( 0.2627119 0.2627119 0.2627119), wk = 0.0022371 k( 235) = ( 0.2711864 0.2711864 0.2711864), wk = 0.0022371 k( 236) = ( 0.2796610 0.2796610 0.2796610), wk = 0.0022371 k( 237) = ( 0.2881356 0.2881356 0.2881356), wk = 0.0022371 k( 238) = ( 0.2966102 0.2966102 0.2966102), wk = 0.0022371 k( 239) = ( 0.3050848 0.3050848 0.3050848), wk = 0.0022371 k( 240) = ( 0.3135593 0.3135593 0.3135593), wk = 0.0022371 k( 241) = ( 0.3220339 0.3220339 0.3220339), wk = 0.0022371 k( 242) = ( 0.3305085 0.3305085 0.3305085), wk = 0.0022371 k( 243) = ( 0.3389831 0.3389831 0.3389831), wk = 0.0022371 k( 244) = ( 0.3474576 0.3474576 0.3474576), wk = 0.0022371 k( 245) = ( 0.3559322 0.3559322 0.3559322), wk = 0.0022371 k( 246) = ( 0.3644068 0.3644068 0.3644068), wk = 0.0022371 k( 247) = ( 0.3728814 0.3728814 0.3728814), wk = 0.0022371 k( 248) = ( 0.3813559 0.3813559 0.3813559), wk = 0.0022371 k( 249) = ( 0.3898305 0.3898305 0.3898305), wk = 0.0022371 k( 250) = ( 0.3983051 0.3983051 0.3983051), wk = 0.0022371 k( 251) = ( 0.4067797 0.4067797 0.4067797), wk = 0.0022371 k( 252) = ( 0.4152542 0.4152542 0.4152542), wk = 0.0022371 k( 253) = ( 0.4237288 0.4237288 0.4237288), wk = 0.0022371 k( 254) = ( 0.4322034 0.4322034 0.4322034), wk = 0.0022371 k( 255) = ( 0.4406780 0.4406780 0.4406780), wk = 0.0022371 k( 256) = ( 0.4491525 0.4491525 0.4491525), wk = 0.0022371 k( 257) = ( 0.4576271 0.4576271 0.4576271), wk = 0.0022371 k( 258) = ( 0.4661017 0.4661017 0.4661017), wk = 0.0022371 k( 259) = ( 0.4745763 0.4745763 0.4745763), wk = 0.0022371 k( 260) = ( 0.4830508 0.4830509 0.4830509), wk = 0.0022371 k( 261) = ( 0.4915254 0.4915254 0.4915254), wk = 0.0022371 k( 262) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022371 k( 263) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022371 k( 264) = ( 0.5029762 0.4940476 0.5029762), wk = 0.0022371 k( 265) = ( 0.5059524 0.4880952 0.5059524), wk = 0.0022371 k( 266) = ( 0.5089286 0.4821429 0.5089286), wk = 0.0022371 k( 267) = ( 0.5119048 0.4761905 0.5119048), wk = 0.0022371 k( 268) = ( 0.5148810 0.4702381 0.5148810), wk = 0.0022371 k( 269) = ( 0.5178571 0.4642857 0.5178571), wk = 0.0022371 k( 270) = ( 0.5208333 0.4583333 0.5208333), wk = 0.0022371 k( 271) = ( 0.5238095 0.4523810 0.5238095), wk = 0.0022371 k( 272) = ( 0.5267857 0.4464286 0.5267857), wk = 0.0022371 k( 273) = ( 0.5297619 0.4404762 0.5297619), wk = 0.0022371 k( 274) = ( 0.5327381 0.4345238 0.5327381), wk = 0.0022371 k( 275) = ( 0.5357143 0.4285714 0.5357143), wk = 0.0022371 k( 276) = ( 0.5386905 0.4226191 0.5386905), wk = 0.0022371 k( 277) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0022371 k( 278) = ( 0.5446429 0.4107143 0.5446429), wk = 0.0022371 k( 279) = ( 0.5476190 0.4047619 0.5476190), wk = 0.0022371 k( 280) = ( 0.5505952 0.3988095 0.5505952), wk = 0.0022371 k( 281) = ( 0.5535714 0.3928571 0.5535714), wk = 0.0022371 k( 282) = ( 0.5565476 0.3869048 0.5565476), wk = 0.0022371 k( 283) = ( 0.5595238 0.3809524 0.5595238), wk = 0.0022371 k( 284) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0022371 k( 285) = ( 0.5654762 0.3690476 0.5654762), wk = 0.0022371 k( 286) = ( 0.5684524 0.3630952 0.5684524), wk = 0.0022371 k( 287) = ( 0.5714286 0.3571429 0.5714286), wk = 0.0022371 k( 288) = ( 0.5744048 0.3511905 0.5744048), wk = 0.0022371 k( 289) = ( 0.5773810 0.3452381 0.5773810), wk = 0.0022371 k( 290) = ( 0.5803571 0.3392857 0.5803571), wk = 0.0022371 k( 291) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0022371 k( 292) = ( 0.5863095 0.3273810 0.5863095), wk = 0.0022371 k( 293) = ( 0.5892857 0.3214286 0.5892857), wk = 0.0022371 k( 294) = ( 0.5922619 0.3154762 0.5922619), wk = 0.0022371 k( 295) = ( 0.5952381 0.3095238 0.5952381), wk = 0.0022371 k( 296) = ( 0.5982143 0.3035714 0.5982143), wk = 0.0022371 k( 297) = ( 0.6011905 0.2976190 0.6011905), wk = 0.0022371 k( 298) = ( 0.6041667 0.2916667 0.6041667), wk = 0.0022371 k( 299) = ( 0.6071429 0.2857143 0.6071429), wk = 0.0022371 k( 300) = ( 0.6101190 0.2797619 0.6101191), wk = 0.0022371 k( 301) = ( 0.6130952 0.2738095 0.6130952), wk = 0.0022371 k( 302) = ( 0.6160714 0.2678571 0.6160714), wk = 0.0022371 k( 303) = ( 0.6190476 0.2619048 0.6190476), wk = 0.0022371 k( 304) = ( 0.6220238 0.2559524 0.6220238), wk = 0.0022371 k( 305) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0022371 k( 306) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0022371 k( 307) = ( 0.6197917 0.2500000 0.6302083), wk = 0.0022371 k( 308) = ( 0.6145833 0.2500000 0.6354167), wk = 0.0022371 k( 309) = ( 0.6093750 0.2500000 0.6406250), wk = 0.0022371 k( 310) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0022371 k( 311) = ( 0.5989583 0.2500000 0.6510417), wk = 0.0022371 k( 312) = ( 0.5937500 0.2500000 0.6562500), wk = 0.0022371 k( 313) = ( 0.5885417 0.2500000 0.6614583), wk = 0.0022371 k( 314) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0022371 k( 315) = ( 0.5781250 0.2500000 0.6718750), wk = 0.0022371 k( 316) = ( 0.5729167 0.2500000 0.6770833), wk = 0.0022371 k( 317) = ( 0.5677083 0.2500000 0.6822917), wk = 0.0022371 k( 318) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0022371 k( 319) = ( 0.5572917 0.2500000 0.6927083), wk = 0.0022371 k( 320) = ( 0.5520833 0.2500000 0.6979167), wk = 0.0022371 k( 321) = ( 0.5468750 0.2500000 0.7031250), wk = 0.0022371 k( 322) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0022371 k( 323) = ( 0.5364583 0.2500000 0.7135417), wk = 0.0022371 k( 324) = ( 0.5312500 0.2500000 0.7187500), wk = 0.0022371 k( 325) = ( 0.5260417 0.2500000 0.7239583), wk = 0.0022371 k( 326) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0022371 k( 327) = ( 0.5156250 0.2500000 0.7343750), wk = 0.0022371 k( 328) = ( 0.5104167 0.2500000 0.7395833), wk = 0.0022371 k( 329) = ( 0.5052083 0.2500000 0.7447917), wk = 0.0022371 k( 330) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0022371 k( 331) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0022371 k( 332) = ( 0.5000000 0.2552083 0.7447917), wk = 0.0022371 k( 333) = ( 0.5000000 0.2604167 0.7395833), wk = 0.0022371 k( 334) = ( 0.5000000 0.2656250 0.7343750), wk = 0.0022371 k( 335) = ( 0.5000000 0.2708333 0.7291667), wk = 0.0022371 k( 336) = ( 0.5000000 0.2760417 0.7239583), wk = 0.0022371 k( 337) = ( 0.5000000 0.2812500 0.7187500), wk = 0.0022371 k( 338) = ( 0.5000000 0.2864583 0.7135417), wk = 0.0022371 k( 339) = ( 0.5000000 0.2916667 0.7083333), wk = 0.0022371 k( 340) = ( 0.5000000 0.2968750 0.7031250), wk = 0.0022371 k( 341) = ( 0.5000000 0.3020833 0.6979167), wk = 0.0022371 k( 342) = ( 0.5000000 0.3072917 0.6927083), wk = 0.0022371 k( 343) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0022371 k( 344) = ( 0.5000000 0.3177083 0.6822917), wk = 0.0022371 k( 345) = ( 0.5000000 0.3229167 0.6770833), wk = 0.0022371 k( 346) = ( 0.5000000 0.3281250 0.6718750), wk = 0.0022371 k( 347) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0022371 k( 348) = ( 0.5000000 0.3385417 0.6614583), wk = 0.0022371 k( 349) = ( 0.5000000 0.3437500 0.6562500), wk = 0.0022371 k( 350) = ( 0.5000000 0.3489583 0.6510417), wk = 0.0022371 k( 351) = ( 0.5000000 0.3541667 0.6458333), wk = 0.0022371 k( 352) = ( 0.5000000 0.3593750 0.6406250), wk = 0.0022371 k( 353) = ( 0.5000000 0.3645833 0.6354167), wk = 0.0022371 k( 354) = ( 0.5000000 0.3697917 0.6302083), wk = 0.0022371 k( 355) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0022371 k( 356) = ( 0.5000000 0.3802083 0.6197917), wk = 0.0022371 k( 357) = ( 0.5000000 0.3854167 0.6145833), wk = 0.0022371 k( 358) = ( 0.5000000 0.3906250 0.6093750), wk = 0.0022371 k( 359) = ( 0.5000000 0.3958333 0.6041667), wk = 0.0022371 k( 360) = ( 0.5000000 0.4010417 0.5989583), wk = 0.0022371 k( 361) = ( 0.5000000 0.4062500 0.5937500), wk = 0.0022371 k( 362) = ( 0.5000000 0.4114583 0.5885417), wk = 0.0022371 k( 363) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0022371 k( 364) = ( 0.5000000 0.4218750 0.5781250), wk = 0.0022371 k( 365) = ( 0.5000000 0.4270833 0.5729167), wk = 0.0022371 k( 366) = ( 0.5000000 0.4322917 0.5677083), wk = 0.0022371 k( 367) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0022371 k( 368) = ( 0.5000000 0.4427083 0.5572917), wk = 0.0022371 k( 369) = ( 0.5000000 0.4479167 0.5520833), wk = 0.0022371 k( 370) = ( 0.5000000 0.4531250 0.5468750), wk = 0.0022371 k( 371) = ( 0.5000000 0.4583333 0.5416667), wk = 0.0022371 k( 372) = ( 0.5000000 0.4635417 0.5364583), wk = 0.0022371 k( 373) = ( 0.5000000 0.4687500 0.5312500), wk = 0.0022371 k( 374) = ( 0.5000000 0.4739583 0.5260417), wk = 0.0022371 k( 375) = ( 0.5000000 0.4791667 0.5208333), wk = 0.0022371 k( 376) = ( 0.5000000 0.4843750 0.5156250), wk = 0.0022371 k( 377) = ( 0.5000000 0.4895833 0.5104167), wk = 0.0022371 k( 378) = ( 0.5000000 0.4947917 0.5052083), wk = 0.0022371 k( 379) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022371 k( 380) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022371 k( 381) = ( 0.4970238 0.4970238 0.5059524), wk = 0.0022371 k( 382) = ( 0.4940476 0.4940476 0.5119048), wk = 0.0022371 k( 383) = ( 0.4910714 0.4910714 0.5178571), wk = 0.0022371 k( 384) = ( 0.4880952 0.4880952 0.5238095), wk = 0.0022371 k( 385) = ( 0.4851190 0.4851190 0.5297619), wk = 0.0022371 k( 386) = ( 0.4821429 0.4821429 0.5357143), wk = 0.0022371 k( 387) = ( 0.4791667 0.4791667 0.5416667), wk = 0.0022371 k( 388) = ( 0.4761905 0.4761905 0.5476191), wk = 0.0022371 k( 389) = ( 0.4732143 0.4732143 0.5535714), wk = 0.0022371 k( 390) = ( 0.4702381 0.4702381 0.5595238), wk = 0.0022371 k( 391) = ( 0.4672619 0.4672619 0.5654762), wk = 0.0022371 k( 392) = ( 0.4642857 0.4642857 0.5714286), wk = 0.0022371 k( 393) = ( 0.4613095 0.4613095 0.5773810), wk = 0.0022371 k( 394) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0022371 k( 395) = ( 0.4553571 0.4553571 0.5892857), wk = 0.0022371 k( 396) = ( 0.4523810 0.4523810 0.5952381), wk = 0.0022371 k( 397) = ( 0.4494048 0.4494048 0.6011905), wk = 0.0022371 k( 398) = ( 0.4464286 0.4464286 0.6071429), wk = 0.0022371 k( 399) = ( 0.4434524 0.4434524 0.6130952), wk = 0.0022371 k( 400) = ( 0.4404762 0.4404762 0.6190476), wk = 0.0022371 k( 401) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0022371 k( 402) = ( 0.4345238 0.4345238 0.6309524), wk = 0.0022371 k( 403) = ( 0.4315476 0.4315476 0.6369048), wk = 0.0022371 k( 404) = ( 0.4285714 0.4285714 0.6428571), wk = 0.0022371 k( 405) = ( 0.4255952 0.4255952 0.6488095), wk = 0.0022371 k( 406) = ( 0.4226190 0.4226191 0.6547619), wk = 0.0022371 k( 407) = ( 0.4196429 0.4196429 0.6607143), wk = 0.0022371 k( 408) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0022371 k( 409) = ( 0.4136905 0.4136905 0.6726191), wk = 0.0022371 k( 410) = ( 0.4107143 0.4107143 0.6785714), wk = 0.0022371 k( 411) = ( 0.4077381 0.4077381 0.6845238), wk = 0.0022371 k( 412) = ( 0.4047619 0.4047619 0.6904762), wk = 0.0022371 k( 413) = ( 0.4017857 0.4017857 0.6964286), wk = 0.0022371 k( 414) = ( 0.3988095 0.3988095 0.7023810), wk = 0.0022371 k( 415) = ( 0.3958333 0.3958333 0.7083333), wk = 0.0022371 k( 416) = ( 0.3928571 0.3928571 0.7142857), wk = 0.0022371 k( 417) = ( 0.3898810 0.3898810 0.7202381), wk = 0.0022371 k( 418) = ( 0.3869048 0.3869048 0.7261905), wk = 0.0022371 k( 419) = ( 0.3839286 0.3839286 0.7321429), wk = 0.0022371 k( 420) = ( 0.3809524 0.3809524 0.7380952), wk = 0.0022371 k( 421) = ( 0.3779762 0.3779762 0.7440476), wk = 0.0022371 k( 422) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0022371 k( 423) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0022371 k( 424) = ( 0.6197917 0.2395833 0.6197917), wk = 0.0022371 k( 425) = ( 0.6145833 0.2291667 0.6145833), wk = 0.0022371 k( 426) = ( 0.6093750 0.2187500 0.6093750), wk = 0.0022371 k( 427) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0022371 k( 428) = ( 0.5989583 0.1979167 0.5989583), wk = 0.0022371 k( 429) = ( 0.5937500 0.1875000 0.5937500), wk = 0.0022371 k( 430) = ( 0.5885417 0.1770833 0.5885417), wk = 0.0022371 k( 431) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0022371 k( 432) = ( 0.5781250 0.1562500 0.5781250), wk = 0.0022371 k( 433) = ( 0.5729167 0.1458333 0.5729167), wk = 0.0022371 k( 434) = ( 0.5677083 0.1354167 0.5677083), wk = 0.0022371 k( 435) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0022371 k( 436) = ( 0.5572917 0.1145833 0.5572917), wk = 0.0022371 k( 437) = ( 0.5520833 0.1041667 0.5520833), wk = 0.0022371 k( 438) = ( 0.5468750 0.0937500 0.5468750), wk = 0.0022371 k( 439) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0022371 k( 440) = ( 0.5364583 0.0729167 0.5364583), wk = 0.0022371 k( 441) = ( 0.5312500 0.0625000 0.5312500), wk = 0.0022371 k( 442) = ( 0.5260417 0.0520833 0.5260417), wk = 0.0022371 k( 443) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0022371 k( 444) = ( 0.5156250 0.0312500 0.5156250), wk = 0.0022371 k( 445) = ( 0.5104167 0.0208333 0.5104167), wk = 0.0022371 k( 446) = ( 0.5052083 0.0104167 0.5052083), wk = 0.0022371 k( 447) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022371 Dense grid: 46367 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 7391 G-vectors FFT dimensions: ( 27, 27, 27) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 58, 26) NL pseudopotentials 0.02 Mb ( 29, 48) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1288) G-vector shells 0.00 Mb ( 366) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.09 Mb ( 58, 104) Each subspace H/S matrix 0.01 Mb ( 26, 26) Each matrix 0.04 Mb ( 48, 2, 26) The potential is recalculated from file : ./CdO.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.3 secs Computing kpt #: 2 total cpu time spent up to now is 2.4 secs Computing kpt #: 3 total cpu time spent up to now is 2.6 secs Computing kpt #: 4 total cpu time spent up to now is 2.7 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 3.1 secs Computing kpt #: 8 total cpu time spent up to now is 3.2 secs Computing kpt #: 9 total cpu time spent up to now is 3.3 secs Computing kpt #: 10 total cpu time spent up to now is 3.4 secs Computing kpt #: 11 total cpu time spent up to now is 3.6 secs Computing kpt #: 12 total cpu time spent up to now is 3.7 secs Computing kpt #: 13 total cpu time spent up to now is 3.8 secs Computing kpt #: 14 total cpu time spent up to now is 3.9 secs Computing kpt #: 15 total cpu time spent up to now is 4.1 secs Computing kpt #: 16 total cpu time spent up to now is 4.2 secs Computing kpt #: 17 total cpu time spent up to now is 4.3 secs Computing kpt #: 18 total cpu time spent up to now is 4.4 secs Computing kpt #: 19 total cpu time spent up to now is 4.5 secs Computing kpt #: 20 total cpu time spent up to now is 4.7 secs Computing kpt #: 21 total cpu time spent up to now is 4.8 secs Computing kpt #: 22 total cpu time spent up to now is 4.9 secs Computing kpt #: 23 total cpu time spent up to now is 5.0 secs Computing kpt #: 24 total cpu time spent up to now is 5.1 secs Computing kpt #: 25 total cpu time spent up to now is 5.2 secs Computing kpt #: 26 total cpu time spent up to now is 5.4 secs Computing kpt #: 27 total cpu time spent up to now is 5.5 secs Computing kpt #: 28 total cpu time spent up to now is 5.6 secs Computing kpt #: 29 total cpu time spent up to now is 5.7 secs Computing kpt #: 30 total cpu time spent up to now is 5.8 secs Computing kpt #: 31 total cpu time spent up to now is 6.0 secs Computing kpt #: 32 total cpu time spent up to now is 6.1 secs Computing kpt #: 33 total cpu time spent up to now is 6.2 secs Computing kpt #: 34 total cpu time spent up to now is 6.3 secs Computing kpt #: 35 total cpu time spent up to now is 6.4 secs Computing kpt #: 36 total cpu time spent up to now is 6.5 secs Computing kpt #: 37 total cpu time spent up to now is 6.6 secs Computing kpt #: 38 total cpu time spent up to now is 6.7 secs Computing kpt #: 39 total cpu time spent up to now is 6.8 secs Computing kpt #: 40 total cpu time spent up to now is 6.9 secs Computing kpt #: 41 total cpu time spent up to now is 7.1 secs Computing kpt #: 42 total cpu time spent up to now is 7.2 secs Computing kpt #: 43 total cpu time spent up to now is 7.3 secs Computing kpt #: 44 total cpu time spent up to now is 7.4 secs Computing kpt #: 45 total cpu time spent up to now is 7.5 secs Computing kpt #: 46 total cpu time spent up to now is 7.6 secs Computing kpt #: 47 total cpu time spent up to now is 7.7 secs Computing kpt #: 48 total cpu time spent up to now is 7.8 secs Computing kpt #: 49 total cpu time spent up to now is 7.9 secs Computing kpt #: 50 total cpu time spent up to now is 8.0 secs Computing kpt #: 51 total cpu time spent up to now is 8.1 secs Computing kpt #: 52 total cpu time spent up to now is 8.2 secs Computing kpt #: 53 total cpu time spent up to now is 8.3 secs Computing kpt #: 54 total cpu time spent up to now is 8.4 secs Computing kpt #: 55 total cpu time spent up to now is 8.5 secs Computing kpt #: 56 total cpu time spent up to now is 8.6 secs Computing kpt #: 57 total cpu time spent up to now is 8.7 secs Computing kpt #: 58 total cpu time spent up to now is 8.8 secs Computing kpt #: 59 total cpu time spent up to now is 8.9 secs Computing kpt #: 60 total cpu time spent up to now is 9.0 secs Computing kpt #: 61 total cpu time spent up to now is 9.1 secs Computing kpt #: 62 total cpu time spent up to now is 9.2 secs Computing kpt #: 63 total cpu time spent up to now is 9.3 secs Computing kpt #: 64 total cpu time spent up to now is 9.4 secs Computing kpt #: 65 total cpu time spent up to now is 9.5 secs Computing kpt #: 66 total cpu time spent up to now is 9.6 secs Computing kpt #: 67 total cpu time spent up to now is 9.7 secs Computing kpt #: 68 total cpu time spent up to now is 9.8 secs Computing kpt #: 69 total cpu time spent up to now is 9.9 secs Computing kpt #: 70 total cpu time spent up to now is 10.0 secs Computing kpt #: 71 total cpu time spent up to now is 10.1 secs Computing kpt #: 72 total cpu time spent up to now is 10.2 secs Computing kpt #: 73 total cpu time spent up to now is 10.3 secs Computing kpt #: 74 total cpu time spent up to now is 10.4 secs Computing kpt #: 75 total cpu time spent up to now is 10.5 secs Computing kpt #: 76 total cpu time spent up to now is 10.6 secs Computing kpt #: 77 total cpu time spent up to now is 10.7 secs Computing kpt #: 78 total cpu time spent up to now is 10.8 secs Computing kpt #: 79 total cpu time spent up to now is 10.9 secs Computing kpt #: 80 total cpu time spent up to now is 11.0 secs Computing kpt #: 81 total cpu time spent up to now is 11.1 secs Computing kpt #: 82 total cpu time spent up to now is 11.2 secs Computing kpt #: 83 total cpu time spent up to now is 11.3 secs Computing kpt #: 84 total cpu time spent up to now is 11.4 secs Computing kpt #: 85 total cpu time spent up to now is 11.5 secs Computing kpt #: 86 total cpu time spent up to now is 11.5 secs Computing kpt #: 87 total cpu time spent up to now is 11.6 secs Computing kpt #: 88 total cpu time spent up to now is 11.7 secs Computing kpt #: 89 total cpu time spent up to now is 11.8 secs Computing kpt #: 90 total cpu time spent up to now is 11.9 secs Computing kpt #: 91 total cpu time spent up to now is 12.0 secs Computing kpt #: 92 total cpu time spent up to now is 12.1 secs Computing kpt #: 93 total cpu time spent up to now is 12.2 secs Computing kpt #: 94 total cpu time spent up to now is 12.3 secs Computing kpt #: 95 total cpu time spent up to now is 12.3 secs Computing kpt #: 96 total cpu time spent up to now is 12.4 secs Computing kpt #: 97 total cpu time spent up to now is 12.5 secs Computing kpt #: 98 total cpu time spent up to now is 12.6 secs Computing kpt #: 99 total cpu time spent up to now is 12.7 secs Computing kpt #: 100 total cpu time spent up to now is 12.8 secs Computing kpt #: 101 total cpu time spent up to now is 12.8 secs Computing kpt #: 102 total cpu time spent up to now is 12.9 secs Computing kpt #: 103 total cpu time spent up to now is 13.0 secs Computing kpt #: 104 total cpu time spent up to now is 13.1 secs Computing kpt #: 105 total cpu time spent up to now is 13.2 secs Computing kpt #: 106 total cpu time spent up to now is 13.3 secs Computing kpt #: 107 total cpu time spent up to now is 13.3 secs Computing kpt #: 108 total cpu time spent up to now is 13.4 secs Computing kpt #: 109 total cpu time spent up to now is 13.5 secs Computing kpt #: 110 total cpu time spent up to now is 13.6 secs Computing kpt #: 111 total cpu time spent up to now is 13.7 secs Computing kpt #: 112 total cpu time spent up to now is 13.8 secs Computing kpt #: 113 total cpu time spent up to now is 13.8 secs Computing kpt #: 114 total cpu time spent up to now is 13.9 secs Computing kpt #: 115 total cpu time spent up to now is 14.0 secs Computing kpt #: 116 total cpu time spent up to now is 14.1 secs Computing kpt #: 117 total cpu time spent up to now is 14.2 secs Computing kpt #: 118 total cpu time spent up to now is 14.3 secs Computing kpt #: 119 total cpu time spent up to now is 14.4 secs Computing kpt #: 120 total cpu time spent up to now is 14.4 secs Computing kpt #: 121 total cpu time spent up to now is 14.5 secs Computing kpt #: 122 total cpu time spent up to now is 14.6 secs Computing kpt #: 123 total cpu time spent up to now is 14.7 secs Computing kpt #: 124 total cpu time spent up to now is 14.8 secs Computing kpt #: 125 total cpu time spent up to now is 14.9 secs Computing kpt #: 126 total cpu time spent up to now is 15.0 secs Computing kpt #: 127 total cpu time spent up to now is 15.1 secs Computing kpt #: 128 total cpu time spent up to now is 15.2 secs Computing kpt #: 129 total cpu time spent up to now is 15.3 secs Computing kpt #: 130 total cpu time spent up to now is 15.4 secs Computing kpt #: 131 total cpu time spent up to now is 15.4 secs Computing kpt #: 132 total cpu time spent up to now is 15.5 secs Computing kpt #: 133 total cpu time spent up to now is 15.7 secs Computing kpt #: 134 total cpu time spent up to now is 15.8 secs Computing kpt #: 135 total cpu time spent up to now is 15.9 secs Computing kpt #: 136 total cpu time spent up to now is 15.9 secs Computing kpt #: 137 total cpu time spent up to now is 16.0 secs Computing kpt #: 138 total cpu time spent up to now is 16.1 secs Computing kpt #: 139 total cpu time spent up to now is 16.2 secs Computing kpt #: 140 total cpu time spent up to now is 16.3 secs Computing kpt #: 141 total cpu time spent up to now is 16.4 secs Computing kpt #: 142 total cpu time spent up to now is 16.4 secs Computing kpt #: 143 total cpu time spent up to now is 16.5 secs Computing kpt #: 144 total cpu time spent up to now is 16.6 secs Computing kpt #: 145 total cpu time spent up to now is 16.7 secs Computing kpt #: 146 total cpu time spent up to now is 16.8 secs Computing kpt #: 147 total cpu time spent up to now is 16.9 secs Computing kpt #: 148 total cpu time spent up to now is 16.9 secs Computing kpt #: 149 total cpu time spent up to now is 17.0 secs Computing kpt #: 150 total cpu time spent up to now is 17.1 secs Computing kpt #: 151 total cpu time spent up to now is 17.2 secs Computing kpt #: 152 total cpu time spent up to now is 17.3 secs Computing kpt #: 153 total cpu time spent up to now is 17.3 secs Computing kpt #: 154 total cpu time spent up to now is 17.4 secs Computing kpt #: 155 total cpu time spent up to now is 17.5 secs Computing kpt #: 156 total cpu time spent up to now is 17.6 secs Computing kpt #: 157 total cpu time spent up to now is 17.7 secs Computing kpt #: 158 total cpu time spent up to now is 17.8 secs Computing kpt #: 159 total cpu time spent up to now is 17.8 secs Computing kpt #: 160 total cpu time spent up to now is 17.9 secs Computing kpt #: 161 total cpu time spent up to now is 18.0 secs Computing kpt #: 162 total cpu time spent up to now is 18.1 secs Computing kpt #: 163 total cpu time spent up to now is 18.2 secs Computing kpt #: 164 total cpu time spent up to now is 18.3 secs Computing kpt #: 165 total cpu time spent up to now is 18.3 secs Computing kpt #: 166 total cpu time spent up to now is 18.4 secs Computing kpt #: 167 total cpu time spent up to now is 18.5 secs Computing kpt #: 168 total cpu time spent up to now is 18.6 secs Computing kpt #: 169 total cpu time spent up to now is 18.7 secs Computing kpt #: 170 total cpu time spent up to now is 18.8 secs Computing kpt #: 171 total cpu time spent up to now is 18.9 secs Computing kpt #: 172 total cpu time spent up to now is 19.0 secs Computing kpt #: 173 total cpu time spent up to now is 19.1 secs Computing kpt #: 174 total cpu time spent up to now is 19.2 secs Computing kpt #: 175 total cpu time spent up to now is 19.3 secs Computing kpt #: 176 total cpu time spent up to now is 19.3 secs Computing kpt #: 177 total cpu time spent up to now is 19.4 secs Computing kpt #: 178 total cpu time spent up to now is 19.5 secs Computing kpt #: 179 total cpu time spent up to now is 19.6 secs Computing kpt #: 180 total cpu time spent up to now is 19.7 secs Computing kpt #: 181 total cpu time spent up to now is 19.8 secs Computing kpt #: 182 total cpu time spent up to now is 19.9 secs Computing kpt #: 183 total cpu time spent up to now is 20.1 secs Computing kpt #: 184 total cpu time spent up to now is 20.2 secs Computing kpt #: 185 total cpu time spent up to now is 20.3 secs Computing kpt #: 186 total cpu time spent up to now is 20.4 secs Computing kpt #: 187 total cpu time spent up to now is 20.5 secs Computing kpt #: 188 total cpu time spent up to now is 20.6 secs Computing kpt #: 189 total cpu time spent up to now is 20.8 secs Computing kpt #: 190 total cpu time spent up to now is 20.9 secs Computing kpt #: 191 total cpu time spent up to now is 21.0 secs Computing kpt #: 192 total cpu time spent up to now is 21.2 secs Computing kpt #: 193 total cpu time spent up to now is 21.3 secs Computing kpt #: 194 total cpu time spent up to now is 21.4 secs Computing kpt #: 195 total cpu time spent up to now is 21.6 secs Computing kpt #: 196 total cpu time spent up to now is 21.7 secs Computing kpt #: 197 total cpu time spent up to now is 21.8 secs Computing kpt #: 198 total cpu time spent up to now is 21.9 secs Computing kpt #: 199 total cpu time spent up to now is 22.1 secs Computing kpt #: 200 total cpu time spent up to now is 22.2 secs Computing kpt #: 201 total cpu time spent up to now is 22.4 secs Computing kpt #: 202 total cpu time spent up to now is 22.5 secs Computing kpt #: 203 total cpu time spent up to now is 22.7 secs Computing kpt #: 204 total cpu time spent up to now is 22.9 secs Computing kpt #: 205 total cpu time spent up to now is 23.0 secs Computing kpt #: 206 total cpu time spent up to now is 23.1 secs Computing kpt #: 207 total cpu time spent up to now is 23.3 secs Computing kpt #: 208 total cpu time spent up to now is 23.4 secs Computing kpt #: 209 total cpu time spent up to now is 23.5 secs Computing kpt #: 210 total cpu time spent up to now is 23.7 secs Computing kpt #: 211 total cpu time spent up to now is 23.8 secs Computing kpt #: 212 total cpu time spent up to now is 23.9 secs Computing kpt #: 213 total cpu time spent up to now is 24.0 secs Computing kpt #: 214 total cpu time spent up to now is 24.2 secs Computing kpt #: 215 total cpu time spent up to now is 24.3 secs Computing kpt #: 216 total cpu time spent up to now is 24.4 secs Computing kpt #: 217 total cpu time spent up to now is 24.5 secs Computing kpt #: 218 total cpu time spent up to now is 24.6 secs Computing kpt #: 219 total cpu time spent up to now is 24.7 secs Computing kpt #: 220 total cpu time spent up to now is 24.8 secs Computing kpt #: 221 total cpu time spent up to now is 25.0 secs Computing kpt #: 222 total cpu time spent up to now is 25.1 secs Computing kpt #: 223 total cpu time spent up to now is 25.2 secs Computing kpt #: 224 total cpu time spent up to now is 25.3 secs Computing kpt #: 225 total cpu time spent up to now is 25.4 secs Computing kpt #: 226 total cpu time spent up to now is 25.5 secs Computing kpt #: 227 total cpu time spent up to now is 25.6 secs Computing kpt #: 228 total cpu time spent up to now is 25.7 secs Computing kpt #: 229 total cpu time spent up to now is 25.8 secs Computing kpt #: 230 total cpu time spent up to now is 25.8 secs Computing kpt #: 231 total cpu time spent up to now is 25.9 secs Computing kpt #: 232 total cpu time spent up to now is 26.0 secs Computing kpt #: 233 total cpu time spent up to now is 26.1 secs Computing kpt #: 234 total cpu time spent up to now is 26.2 secs Computing kpt #: 235 total cpu time spent up to now is 26.3 secs Computing kpt #: 236 total cpu time spent up to now is 26.4 secs Computing kpt #: 237 total cpu time spent up to now is 26.5 secs Computing kpt #: 238 total cpu time spent up to now is 26.6 secs Computing kpt #: 239 total cpu time spent up to now is 26.7 secs Computing kpt #: 240 total cpu time spent up to now is 26.8 secs Computing kpt #: 241 total cpu time spent up to now is 26.9 secs Computing kpt #: 242 total cpu time spent up to now is 27.0 secs Computing kpt #: 243 total cpu time spent up to now is 27.0 secs Computing kpt #: 244 total cpu time spent up to now is 27.1 secs Computing kpt #: 245 total cpu time spent up to now is 27.2 secs Computing kpt #: 246 total cpu time spent up to now is 27.3 secs Computing kpt #: 247 total cpu time spent up to now is 27.4 secs Computing kpt #: 248 total cpu time spent up to now is 27.5 secs Computing kpt #: 249 total cpu time spent up to now is 27.6 secs Computing kpt #: 250 total cpu time spent up to now is 27.7 secs Computing kpt #: 251 total cpu time spent up to now is 27.7 secs Computing kpt #: 252 total cpu time spent up to now is 27.8 secs Computing kpt #: 253 total cpu time spent up to now is 27.9 secs Computing kpt #: 254 total cpu time spent up to now is 28.0 secs Computing kpt #: 255 total cpu time spent up to now is 28.1 secs Computing kpt #: 256 total cpu time spent up to now is 28.2 secs Computing kpt #: 257 total cpu time spent up to now is 28.3 secs Computing kpt #: 258 total cpu time spent up to now is 28.3 secs Computing kpt #: 259 total cpu time spent up to now is 28.4 secs Computing kpt #: 260 total cpu time spent up to now is 28.5 secs Computing kpt #: 261 total cpu time spent up to now is 28.6 secs Computing kpt #: 262 total cpu time spent up to now is 28.7 secs Computing kpt #: 263 total cpu time spent up to now is 28.8 secs Computing kpt #: 264 total cpu time spent up to now is 28.9 secs Computing kpt #: 265 total cpu time spent up to now is 28.9 secs Computing kpt #: 266 total cpu time spent up to now is 29.0 secs Computing kpt #: 267 total cpu time spent up to now is 29.1 secs Computing kpt #: 268 total cpu time spent up to now is 29.2 secs Computing kpt #: 269 total cpu time spent up to now is 29.3 secs Computing kpt #: 270 total cpu time spent up to now is 29.4 secs Computing kpt #: 271 total cpu time spent up to now is 29.4 secs Computing kpt #: 272 total cpu time spent up to now is 29.5 secs Computing kpt #: 273 total cpu time spent up to now is 29.6 secs Computing kpt #: 274 total cpu time spent up to now is 29.7 secs Computing kpt #: 275 total cpu time spent up to now is 29.8 secs Computing kpt #: 276 total cpu time spent up to now is 29.9 secs Computing kpt #: 277 total cpu time spent up to now is 29.9 secs Computing kpt #: 278 total cpu time spent up to now is 30.0 secs Computing kpt #: 279 total cpu time spent up to now is 30.1 secs Computing kpt #: 280 total cpu time spent up to now is 30.2 secs Computing kpt #: 281 total cpu time spent up to now is 30.3 secs Computing kpt #: 282 total cpu time spent up to now is 30.4 secs Computing kpt #: 283 total cpu time spent up to now is 30.5 secs Computing kpt #: 284 total cpu time spent up to now is 30.5 secs Computing kpt #: 285 total cpu time spent up to now is 30.6 secs Computing kpt #: 286 total cpu time spent up to now is 30.8 secs Computing kpt #: 287 total cpu time spent up to now is 30.9 secs Computing kpt #: 288 total cpu time spent up to now is 31.0 secs Computing kpt #: 289 total cpu time spent up to now is 31.1 secs Computing kpt #: 290 total cpu time spent up to now is 31.2 secs Computing kpt #: 291 total cpu time spent up to now is 31.3 secs Computing kpt #: 292 total cpu time spent up to now is 31.4 secs Computing kpt #: 293 total cpu time spent up to now is 31.4 secs Computing kpt #: 294 total cpu time spent up to now is 31.5 secs Computing kpt #: 295 total cpu time spent up to now is 31.6 secs Computing kpt #: 296 total cpu time spent up to now is 31.7 secs Computing kpt #: 297 total cpu time spent up to now is 31.8 secs Computing kpt #: 298 total cpu time spent up to now is 31.9 secs Computing kpt #: 299 total cpu time spent up to now is 31.9 secs Computing kpt #: 300 total cpu time spent up to now is 32.0 secs Computing kpt #: 301 total cpu time spent up to now is 32.1 secs Computing kpt #: 302 total cpu time spent up to now is 32.2 secs Computing kpt #: 303 total cpu time spent up to now is 32.3 secs Computing kpt #: 304 total cpu time spent up to now is 32.4 secs Computing kpt #: 305 total cpu time spent up to now is 32.5 secs Computing kpt #: 306 total cpu time spent up to now is 32.5 secs Computing kpt #: 307 total cpu time spent up to now is 32.6 secs Computing kpt #: 308 total cpu time spent up to now is 32.7 secs Computing kpt #: 309 total cpu time spent up to now is 32.8 secs Computing kpt #: 310 total cpu time spent up to now is 32.9 secs Computing kpt #: 311 total cpu time spent up to now is 33.0 secs Computing kpt #: 312 total cpu time spent up to now is 33.1 secs Computing kpt #: 313 total cpu time spent up to now is 33.2 secs Computing kpt #: 314 total cpu time spent up to now is 33.3 secs Computing kpt #: 315 total cpu time spent up to now is 33.3 secs Computing kpt #: 316 total cpu time spent up to now is 33.4 secs Computing kpt #: 317 total cpu time spent up to now is 33.5 secs Computing kpt #: 318 total cpu time spent up to now is 33.6 secs Computing kpt #: 319 total cpu time spent up to now is 33.7 secs Computing kpt #: 320 total cpu time spent up to now is 33.8 secs Computing kpt #: 321 total cpu time spent up to now is 33.9 secs Computing kpt #: 322 total cpu time spent up to now is 33.9 secs Computing kpt #: 323 total cpu time spent up to now is 34.0 secs Computing kpt #: 324 total cpu time spent up to now is 34.1 secs Computing kpt #: 325 total cpu time spent up to now is 34.2 secs Computing kpt #: 326 total cpu time spent up to now is 34.3 secs Computing kpt #: 327 total cpu time spent up to now is 34.4 secs Computing kpt #: 328 total cpu time spent up to now is 34.4 secs Computing kpt #: 329 total cpu time spent up to now is 34.5 secs Computing kpt #: 330 total cpu time spent up to now is 34.6 secs Computing kpt #: 331 total cpu time spent up to now is 34.7 secs Computing kpt #: 332 total cpu time spent up to now is 34.8 secs Computing kpt #: 333 total cpu time spent up to now is 34.8 secs Computing kpt #: 334 total cpu time spent up to now is 34.9 secs Computing kpt #: 335 total cpu time spent up to now is 35.0 secs Computing kpt #: 336 total cpu time spent up to now is 35.1 secs Computing kpt #: 337 total cpu time spent up to now is 35.2 secs Computing kpt #: 338 total cpu time spent up to now is 35.2 secs Computing kpt #: 339 total cpu time spent up to now is 35.3 secs Computing kpt #: 340 total cpu time spent up to now is 35.4 secs Computing kpt #: 341 total cpu time spent up to now is 35.5 secs Computing kpt #: 342 total cpu time spent up to now is 35.6 secs Computing kpt #: 343 total cpu time spent up to now is 35.6 secs Computing kpt #: 344 total cpu time spent up to now is 35.7 secs Computing kpt #: 345 total cpu time spent up to now is 35.8 secs Computing kpt #: 346 total cpu time spent up to now is 35.9 secs Computing kpt #: 347 total cpu time spent up to now is 36.0 secs Computing kpt #: 348 total cpu time spent up to now is 36.1 secs Computing kpt #: 349 total cpu time spent up to now is 36.1 secs Computing kpt #: 350 total cpu time spent up to now is 36.2 secs Computing kpt #: 351 total cpu time spent up to now is 36.3 secs Computing kpt #: 352 total cpu time spent up to now is 36.4 secs Computing kpt #: 353 total cpu time spent up to now is 36.5 secs Computing kpt #: 354 total cpu time spent up to now is 36.6 secs Computing kpt #: 355 total cpu time spent up to now is 36.6 secs Computing kpt #: 356 total cpu time spent up to now is 36.7 secs Computing kpt #: 357 total cpu time spent up to now is 36.8 secs Computing kpt #: 358 total cpu time spent up to now is 36.9 secs Computing kpt #: 359 total cpu time spent up to now is 37.0 secs Computing kpt #: 360 total cpu time spent up to now is 37.1 secs Computing kpt #: 361 total cpu time spent up to now is 37.2 secs Computing kpt #: 362 total cpu time spent up to now is 37.2 secs Computing kpt #: 363 total cpu time spent up to now is 37.3 secs Computing kpt #: 364 total cpu time spent up to now is 37.4 secs Computing kpt #: 365 total cpu time spent up to now is 37.5 secs Computing kpt #: 366 total cpu time spent up to now is 37.6 secs Computing kpt #: 367 total cpu time spent up to now is 37.7 secs Computing kpt #: 368 total cpu time spent up to now is 37.8 secs Computing kpt #: 369 total cpu time spent up to now is 37.8 secs Computing kpt #: 370 total cpu time spent up to now is 37.9 secs Computing kpt #: 371 total cpu time spent up to now is 38.0 secs Computing kpt #: 372 total cpu time spent up to now is 38.1 secs Computing kpt #: 373 total cpu time spent up to now is 38.2 secs Computing kpt #: 374 total cpu time spent up to now is 38.3 secs Computing kpt #: 375 total cpu time spent up to now is 38.4 secs Computing kpt #: 376 total cpu time spent up to now is 38.4 secs Computing kpt #: 377 total cpu time spent up to now is 38.5 secs Computing kpt #: 378 total cpu time spent up to now is 38.6 secs Computing kpt #: 379 total cpu time spent up to now is 38.7 secs Computing kpt #: 380 total cpu time spent up to now is 38.8 secs Computing kpt #: 381 total cpu time spent up to now is 38.9 secs Computing kpt #: 382 total cpu time spent up to now is 39.0 secs Computing kpt #: 383 total cpu time spent up to now is 39.0 secs Computing kpt #: 384 total cpu time spent up to now is 39.1 secs Computing kpt #: 385 total cpu time spent up to now is 39.2 secs Computing kpt #: 386 total cpu time spent up to now is 39.3 secs Computing kpt #: 387 total cpu time spent up to now is 39.4 secs Computing kpt #: 388 total cpu time spent up to now is 39.5 secs Computing kpt #: 389 total cpu time spent up to now is 39.6 secs Computing kpt #: 390 total cpu time spent up to now is 39.6 secs Computing kpt #: 391 total cpu time spent up to now is 39.7 secs Computing kpt #: 392 total cpu time spent up to now is 39.8 secs Computing kpt #: 393 total cpu time spent up to now is 39.9 secs Computing kpt #: 394 total cpu time spent up to now is 40.0 secs Computing kpt #: 395 total cpu time spent up to now is 40.1 secs Computing kpt #: 396 total cpu time spent up to now is 40.1 secs Computing kpt #: 397 total cpu time spent up to now is 40.2 secs Computing kpt #: 398 total cpu time spent up to now is 40.3 secs Computing kpt #: 399 total cpu time spent up to now is 40.4 secs Computing kpt #: 400 total cpu time spent up to now is 40.5 secs Computing kpt #: 401 total cpu time spent up to now is 40.6 secs Computing kpt #: 402 total cpu time spent up to now is 40.7 secs Computing kpt #: 403 total cpu time spent up to now is 40.7 secs Computing kpt #: 404 total cpu time spent up to now is 40.8 secs Computing kpt #: 405 total cpu time spent up to now is 40.9 secs Computing kpt #: 406 total cpu time spent up to now is 41.0 secs Computing kpt #: 407 total cpu time spent up to now is 41.1 secs Computing kpt #: 408 total cpu time spent up to now is 41.2 secs Computing kpt #: 409 total cpu time spent up to now is 41.3 secs Computing kpt #: 410 total cpu time spent up to now is 41.3 secs Computing kpt #: 411 total cpu time spent up to now is 41.4 secs Computing kpt #: 412 total cpu time spent up to now is 41.5 secs Computing kpt #: 413 total cpu time spent up to now is 41.6 secs Computing kpt #: 414 total cpu time spent up to now is 41.7 secs Computing kpt #: 415 total cpu time spent up to now is 41.8 secs Computing kpt #: 416 total cpu time spent up to now is 41.9 secs Computing kpt #: 417 total cpu time spent up to now is 42.0 secs Computing kpt #: 418 total cpu time spent up to now is 42.0 secs Computing kpt #: 419 total cpu time spent up to now is 42.1 secs Computing kpt #: 420 total cpu time spent up to now is 42.2 secs Computing kpt #: 421 total cpu time spent up to now is 42.3 secs Computing kpt #: 422 total cpu time spent up to now is 42.4 secs Computing kpt #: 423 total cpu time spent up to now is 42.5 secs Computing kpt #: 424 total cpu time spent up to now is 42.6 secs Computing kpt #: 425 total cpu time spent up to now is 42.7 secs Computing kpt #: 426 total cpu time spent up to now is 42.8 secs Computing kpt #: 427 total cpu time spent up to now is 42.9 secs Computing kpt #: 428 total cpu time spent up to now is 43.0 secs Computing kpt #: 429 total cpu time spent up to now is 43.1 secs Computing kpt #: 430 total cpu time spent up to now is 43.1 secs Computing kpt #: 431 total cpu time spent up to now is 43.2 secs Computing kpt #: 432 total cpu time spent up to now is 43.3 secs Computing kpt #: 433 total cpu time spent up to now is 43.4 secs Computing kpt #: 434 total cpu time spent up to now is 43.5 secs Computing kpt #: 435 total cpu time spent up to now is 43.6 secs Computing kpt #: 436 total cpu time spent up to now is 43.7 secs Computing kpt #: 437 total cpu time spent up to now is 43.8 secs Computing kpt #: 438 total cpu time spent up to now is 43.9 secs Computing kpt #: 439 total cpu time spent up to now is 44.0 secs Computing kpt #: 440 total cpu time spent up to now is 44.1 secs Computing kpt #: 441 total cpu time spent up to now is 44.2 secs Computing kpt #: 442 total cpu time spent up to now is 44.3 secs Computing kpt #: 443 total cpu time spent up to now is 44.4 secs Computing kpt #: 444 total cpu time spent up to now is 44.5 secs Computing kpt #: 445 total cpu time spent up to now is 44.6 secs Computing kpt #: 446 total cpu time spent up to now is 44.7 secs Computing kpt #: 447 total cpu time spent up to now is 44.8 secs ethr = 5.56E-08, avg # of iterations = 15.1 total cpu time spent up to now is 44.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 941 PWs) bands (ev): -6.9370 -6.9370 3.5559 3.5559 3.5559 3.5559 4.1344 4.1344 4.3623 4.3623 4.3623 4.3623 9.1445 9.1445 9.2116 9.2116 9.2116 9.2116 10.2507 10.2507 25.6165 25.6165 27.8097 27.8097 27.8097 27.8097 k = 0.0074-0.0042 0.0060 ( 941 PWs) bands (ev): -6.9365 -6.9365 3.5558 3.5558 3.5559 3.5559 4.1344 4.1344 4.3612 4.3612 4.3624 4.3624 9.1411 9.1411 9.2049 9.2049 9.2115 9.2115 10.2643 10.2643 25.6070 25.6070 27.7687 27.7687 27.8114 27.8114 k = 0.0147-0.0085 0.0120 ( 941 PWs) bands (ev): -6.9349 -6.9349 3.5555 3.5555 3.5557 3.5557 4.1345 4.1345 4.3577 4.3577 4.3627 4.3627 9.1270 9.1270 9.1897 9.1897 9.2112 9.2112 10.3038 10.3038 25.5791 25.5791 27.6686 27.6686 27.7968 27.7968 k = 0.0221-0.0127 0.0180 ( 941 PWs) bands (ev): -6.9322 -6.9322 3.5549 3.5549 3.5555 3.5555 4.1347 4.1347 4.3519 4.3519 4.3631 4.3631 9.0950 9.0950 9.1773 9.1773 9.2106 9.2106 10.3653 10.3653 25.5346 25.5346 27.5403 27.5403 27.7395 27.7395 k = 0.0294-0.0170 0.0240 ( 941 PWs) bands (ev): -6.9285 -6.9285 3.5541 3.5541 3.5551 3.5551 4.1349 4.1349 4.3439 4.3439 4.3638 4.3638 9.0463 9.0463 9.1706 9.1706 9.2098 9.2098 10.4444 10.4444 25.4759 25.4759 27.3999 27.3999 27.6513 27.6513 k = 0.0368-0.0212 0.0300 ( 933 PWs) bands (ev): -6.9237 -6.9237 3.5533 3.5533 3.5547 3.5547 4.1354 4.1354 4.3345 4.3345 4.3646 4.3646 8.9880 8.9880 9.1666 9.1666 9.2087 9.2087 10.5372 10.5372 25.4056 25.4056 27.2541 27.2541 27.5459 27.5459 k = 0.0441-0.0255 0.0360 ( 933 PWs) bands (ev): -6.9180 -6.9180 3.5518 3.5518 3.5541 3.5541 4.1358 4.1358 4.3225 4.3225 4.3656 4.3656 8.9245 8.9245 9.1635 9.1635 9.2073 9.2073 10.6406 10.6406 25.3261 25.3261 27.1061 27.1061 27.4304 27.4304 k = 0.0515-0.0297 0.0420 ( 933 PWs) bands (ev): -6.9112 -6.9112 3.5501 3.5501 3.5534 3.5534 4.1363 4.1363 4.3087 4.3087 4.3668 4.3668 8.8588 8.8588 9.1606 9.1606 9.2057 9.2057 10.7522 10.7522 25.2398 25.2398 26.9575 26.9575 27.3090 27.3090 k = 0.0588-0.0340 0.0480 ( 933 PWs) bands (ev): -6.9034 -6.9034 3.5479 3.5479 3.5525 3.5525 4.1369 4.1369 4.2933 4.2933 4.3682 4.3682 8.7925 8.7925 9.1576 9.1576 9.2037 9.2037 10.8704 10.8704 25.1486 25.1486 26.8093 26.8093 27.1843 27.1843 k = 0.0662-0.0382 0.0540 ( 933 PWs) bands (ev): -6.8947 -6.8947 3.5452 3.5452 3.5515 3.5515 4.1377 4.1377 4.2766 4.2766 4.3699 4.3699 8.7269 8.7269 9.1544 9.1544 9.2014 9.2014 10.9939 10.9939 25.0538 25.0538 26.6618 26.6618 27.0582 27.0582 k = 0.0735-0.0425 0.0600 ( 933 PWs) bands (ev): -6.8850 -6.8850 3.5421 3.5421 3.5504 3.5504 4.1385 4.1385 4.2588 4.2588 4.3717 4.3717 8.6628 8.6628 9.1508 9.1508 9.1987 9.1987 11.1218 11.1218 24.9567 24.9567 26.5151 26.5151 26.9320 26.9320 k = 0.0809-0.0467 0.0660 ( 933 PWs) bands (ev): -6.8745 -6.8745 3.5383 3.5383 3.5491 3.5491 4.1396 4.1396 4.2403 4.2403 4.3738 4.3738 8.6005 8.6005 9.1468 9.1468 9.1956 9.1956 11.2533 11.2533 24.8582 24.8582 26.3689 26.3689 26.8066 26.8066 k = 0.0882-0.0509 0.0720 ( 933 PWs) bands (ev): -6.8631 -6.8631 3.5338 3.5338 3.5477 3.5477 4.1408 4.1408 4.2212 4.2212 4.3761 4.3761 8.5406 8.5406 9.1424 9.1424 9.1920 9.1920 11.3878 11.3878 24.7592 24.7592 26.2227 26.2227 26.6826 26.6826 k = 0.0956-0.0552 0.0780 ( 933 PWs) bands (ev): -6.8509 -6.8509 3.5285 3.5285 3.5460 3.5460 4.1421 4.1421 4.2019 4.2019 4.3787 4.3787 8.4830 8.4830 9.1374 9.1374 9.1880 9.1880 11.5247 11.5247 24.6601 24.6601 26.0753 26.0753 26.5606 26.5606 k = 0.1029-0.0594 0.0841 ( 933 PWs) bands (ev): -6.8379 -6.8379 3.5224 3.5224 3.5442 3.5442 4.1437 4.1437 4.1828 4.1828 4.3815 4.3815 8.4281 8.4281 9.1319 9.1319 9.1834 9.1834 11.6636 11.6636 24.5615 24.5615 25.9249 25.9249 26.4409 26.4409 k = 0.1103-0.0637 0.0901 ( 925 PWs) bands (ev): -6.8243 -6.8243 3.5156 3.5156 3.5423 3.5423 4.1457 4.1457 4.1643 4.1643 4.3851 4.3851 8.3757 8.3757 9.1259 9.1259 9.1783 9.1783 11.8040 11.8040 24.4637 24.4637 25.7690 25.7690 26.3240 26.3240 k = 0.1176-0.0679 0.0961 ( 929 PWs) bands (ev): -6.8099 -6.8099 3.5074 3.5074 3.5400 3.5400 4.1463 4.1463 4.1476 4.1476 4.3885 4.3885 8.3259 8.3259 9.1192 9.1192 9.1725 9.1725 11.9457 11.9457 24.3669 24.3669 25.6036 25.6036 26.2100 26.2100 k = 0.1250-0.0722 0.1021 ( 929 PWs) bands (ev): -6.7949 -6.7949 3.4985 3.4985 3.5375 3.5375 4.1296 4.1296 4.1499 4.1499 4.3921 4.3921 8.2786 8.2786 9.1118 9.1118 9.1662 9.1662 12.0881 12.0881 24.2715 24.2715 25.4244 25.4244 26.0735 26.0735 k = 0.1324-0.0764 0.1081 ( 929 PWs) bands (ev): -6.7794 -6.7794 3.4885 3.4885 3.5348 3.5348 4.1142 4.1142 4.1526 4.1526 4.3960 4.3960 8.2338 8.2338 9.1037 9.1037 9.1591 9.1591 12.2311 12.2311 24.1776 24.1776 25.2284 25.2284 25.8875 25.8875 k = 0.1397-0.0807 0.1141 ( 929 PWs) bands (ev): -6.7633 -6.7633 3.4776 3.4776 3.5318 3.5318 4.1004 4.1004 4.1555 4.1555 4.4002 4.4002 8.1913 8.1913 9.0949 9.0949 9.1513 9.1513 12.3742 12.3742 24.0854 24.0854 25.0153 25.0153 25.7224 25.7224 k = 0.1471-0.0849 0.1201 ( 929 PWs) bands (ev): -6.7468 -6.7468 3.4659 3.4659 3.5285 3.5285 4.0884 4.0884 4.1588 4.1588 4.4047 4.4047 8.1509 8.1509 9.0853 9.0853 9.1428 9.1428 12.5171 12.5171 23.9948 23.9948 24.7878 24.7878 25.5762 25.5762 k = 0.1544-0.0891 0.1261 ( 929 PWs) bands (ev): -6.7299 -6.7299 3.4535 3.4535 3.5250 3.5250 4.0784 4.0784 4.1625 4.1625 4.4095 4.4095 8.1126 8.1126 9.0748 9.0748 9.1334 9.1334 12.6594 12.6594 23.9062 23.9062 24.5502 24.5502 25.4454 25.4454 k = 0.1618-0.0934 0.1321 ( 929 PWs) bands (ev): -6.7126 -6.7126 3.4405 3.4405 3.5212 3.5212 4.0703 4.0703 4.1665 4.1665 4.4147 4.4147 8.0762 8.0762 9.0636 9.0636 9.1233 9.1233 12.8010 12.8010 23.8195 23.8195 24.3063 24.3063 25.3268 25.3268 k = 0.1691-0.0976 0.1381 ( 929 PWs) bands (ev): -6.6951 -6.6951 3.4273 3.4273 3.5172 3.5172 4.0642 4.0642 4.1710 4.1710 4.4201 4.4201 8.0414 8.0414 9.0514 9.0514 9.1122 9.1122 12.9413 12.9413 23.7347 23.7347 24.0590 24.0590 25.2178 25.2178 k = 0.1765-0.1019 0.1441 ( 921 PWs) bands (ev): -6.6774 -6.6774 3.4142 3.4142 3.5130 3.5130 4.0604 4.0604 4.1761 4.1761 4.4259 4.4259 8.0082 8.0082 9.0384 9.0384 9.1004 9.1004 13.0802 13.0802 23.6520 23.6520 23.8106 23.8106 25.1168 25.1168 k = 0.1838-0.1061 0.1501 ( 921 PWs) bands (ev): -6.6595 -6.6595 3.4012 3.4012 3.5084 3.5084 4.0584 4.0584 4.1814 4.1814 4.4320 4.4320 7.9763 7.9763 9.0245 9.0245 9.0875 9.0875 13.2171 13.2171 23.5628 23.5628 23.5713 23.5713 25.0226 25.0226 k = 0.1912-0.1104 0.1561 ( 925 PWs) bands (ev): -6.6415 -6.6415 3.3885 3.3885 3.5035 3.5035 4.0580 4.0580 4.1870 4.1870 4.4384 4.4384 7.9454 7.9454 9.0096 9.0096 9.0738 9.0738 13.3519 13.3519 23.3166 23.3166 23.4927 23.4927 24.9345 24.9345 k = 0.1985-0.1146 0.1621 ( 926 PWs) bands (ev): -6.6235 -6.6235 3.3769 3.3769 3.4983 3.4983 4.0596 4.0596 4.1931 4.1931 4.4451 4.4451 7.9156 7.9156 8.9938 8.9938 9.0590 9.0590 13.4841 13.4841 23.0732 23.0732 23.4162 23.4162 24.8519 24.8519 k = 0.2059-0.1189 0.1681 ( 926 PWs) bands (ev): -6.6055 -6.6055 3.3665 3.3665 3.4928 3.4928 4.0629 4.0629 4.1996 4.1996 4.4521 4.4521 7.8865 7.8865 8.9771 8.9771 9.0434 9.0434 13.6135 13.6135 22.8333 22.8333 23.3418 23.3418 24.7744 24.7744 k = 0.2132-0.1231 0.1741 ( 926 PWs) bands (ev): -6.5877 -6.5877 3.3575 3.3575 3.4871 3.4871 4.0678 4.0678 4.2065 4.2065 4.4595 4.4595 7.8579 7.8579 8.9594 8.9594 9.0267 9.0267 13.7395 13.7395 22.5977 22.5977 23.2695 23.2695 24.7017 24.7017 k = 0.2206-0.1274 0.1801 ( 926 PWs) bands (ev): -6.5699 -6.5699 3.3502 3.3502 3.4811 3.4811 4.0742 4.0742 4.2138 4.2138 4.4672 4.4672 7.8298 7.8298 8.9407 8.9407 9.0092 9.0092 13.8619 13.8619 22.3669 22.3669 23.1993 23.1993 24.6335 24.6335 k = 0.2279-0.1316 0.1861 ( 926 PWs) bands (ev): -6.5524 -6.5524 3.3449 3.3449 3.4749 3.4749 4.0820 4.0820 4.2215 4.2215 4.4753 4.4753 7.8018 7.8018 8.9212 8.9212 8.9906 8.9906 13.9802 13.9802 22.1415 22.1415 23.1312 23.1312 24.5697 24.5697 k = 0.2353-0.1358 0.1921 ( 926 PWs) bands (ev): -6.5352 -6.5352 3.3417 3.3417 3.4685 3.4685 4.0912 4.0912 4.2295 4.2295 4.4838 4.4838 7.7738 7.7738 8.9007 8.9007 8.9711 8.9711 14.0941 14.0941 21.9221 21.9221 23.0652 23.0652 24.5102 24.5102 k = 0.2426-0.1401 0.1981 ( 926 PWs) bands (ev): -6.5183 -6.5183 3.3410 3.3410 3.4619 3.4619 4.1016 4.1016 4.2379 4.2379 4.4926 4.4926 7.7457 7.7457 8.8793 8.8793 8.9507 8.9507 14.2031 14.2031 21.7092 21.7092 23.0013 23.0013 24.4547 24.4547 k = 0.2500-0.1443 0.2041 ( 950 PWs) bands (ev): -6.5017 -6.5017 3.3425 3.3425 3.4545 3.4545 4.1124 4.1124 4.2458 4.2458 4.5011 4.5011 7.7171 7.7171 8.8570 8.8570 8.9293 8.9293 14.3067 14.3067 21.5034 21.5034 22.9394 22.9394 24.4030 24.4030 k = 0.2574-0.1486 0.2101 ( 934 PWs) bands (ev): -6.4855 -6.4855 3.3477 3.3477 3.4478 3.4478 4.1255 4.1255 4.2550 4.2550 4.5108 4.5108 7.6882 7.6882 8.8340 8.8340 8.9072 8.9072 14.4048 14.4048 21.3051 21.3051 22.8796 22.8796 24.3552 24.3552 k = 0.2647-0.1528 0.2161 ( 926 PWs) bands (ev): -6.4698 -6.4698 3.3552 3.3552 3.4409 3.4409 4.1393 4.1393 4.2644 4.2644 4.5211 4.5211 7.6584 7.6584 8.8101 8.8101 8.8842 8.8842 14.4968 14.4968 21.1148 21.1148 22.8220 22.8220 24.3111 24.3111 k = 0.2721-0.1571 0.2221 ( 926 PWs) bands (ev): -6.4546 -6.4546 3.3655 3.3655 3.4337 3.4337 4.1541 4.1541 4.2737 4.2737 4.5314 4.5314 7.6277 7.6277 8.7855 8.7855 8.8604 8.8604 14.5822 14.5822 20.9331 20.9331 22.7662 22.7662 24.2704 24.2704 k = 0.2794-0.1613 0.2281 ( 926 PWs) bands (ev): -6.4399 -6.4399 3.3789 3.3789 3.4264 3.4264 4.1698 4.1698 4.2831 4.2831 4.5422 4.5422 7.5959 7.5959 8.7602 8.7602 8.8358 8.8358 14.6607 14.6607 20.7604 20.7604 22.7125 22.7125 24.2332 24.2332 k = 0.2868-0.1656 0.2341 ( 926 PWs) bands (ev): -6.4258 -6.4258 3.3953 3.3953 3.4190 3.4190 4.1864 4.1864 4.2926 4.2926 4.5533 4.5533 7.5628 7.5628 8.7343 8.7343 8.8106 8.8106 14.7319 14.7319 20.5971 20.5971 22.6608 22.6608 24.1992 24.1992 k = 0.2941-0.1698 0.2401 ( 926 PWs) bands (ev): -6.4122 -6.4122 3.4116 3.4116 3.4148 3.4148 4.2039 4.2039 4.3022 4.3022 4.5648 4.5648 7.5284 7.5284 8.7078 8.7078 8.7848 8.7848 14.7956 14.7956 20.4436 20.4436 22.6111 22.6111 24.1683 24.1683 k = 0.3015-0.1741 0.2461 ( 930 PWs) bands (ev): -6.3992 -6.3992 3.4041 3.4041 3.4371 3.4371 4.2222 4.2222 4.3117 4.3117 4.5766 4.5766 7.4922 7.4922 8.6809 8.6809 8.7584 8.7584 14.8512 14.8512 20.3003 20.3003 22.5633 22.5633 24.1404 24.1404 k = 0.3088-0.1783 0.2522 ( 930 PWs) bands (ev): -6.3869 -6.3869 3.3967 3.3967 3.4628 3.4628 4.2414 4.2414 4.3211 4.3211 4.5889 4.5889 7.4546 7.4546 8.6535 8.6535 8.7316 8.7316 14.8990 14.8990 20.1674 20.1674 22.5175 22.5175 24.1153 24.1153 k = 0.3162-0.1825 0.2582 ( 930 PWs) bands (ev): -6.3751 -6.3751 3.3893 3.3893 3.4914 3.4914 4.2615 4.2615 4.3304 4.3304 4.6015 4.6015 7.4152 7.4152 8.6258 8.6258 8.7045 8.7045 14.9386 14.9386 20.0451 20.0451 22.4735 22.4735 24.0929 24.0929 k = 0.3235-0.1868 0.2642 ( 922 PWs) bands (ev): -6.3640 -6.3640 3.3821 3.3821 3.5232 3.5232 4.2828 4.2828 4.3398 4.3398 4.6147 4.6147 7.3739 7.3739 8.5979 8.5979 8.6770 8.6770 14.9701 14.9701 19.9336 19.9336 22.4316 22.4316 24.0731 24.0731 k = 0.3309-0.1910 0.2702 ( 922 PWs) bands (ev): -6.3535 -6.3535 3.3748 3.3748 3.5575 3.5575 4.3046 4.3046 4.3488 4.3488 4.6279 4.6279 7.3306 7.3306 8.5698 8.5698 8.6493 8.6493 14.9935 14.9935 19.8328 19.8328 22.3914 22.3914 24.0556 24.0556 k = 0.3382-0.1953 0.2762 ( 922 PWs) bands (ev): -6.3437 -6.3437 3.3677 3.3677 3.5943 3.5943 4.3274 4.3274 4.3575 4.3575 4.6414 4.6414 7.2851 7.2851 8.5417 8.5417 8.6216 8.6216 15.0090 15.0090 19.7424 19.7424 22.3531 22.3531 24.0404 24.0404 k = 0.3456-0.1995 0.2822 ( 926 PWs) bands (ev): -6.3345 -6.3345 3.3607 3.3607 3.6336 3.6336 4.3510 4.3510 4.3658 4.3658 4.6550 4.6550 7.2376 7.2376 8.5137 8.5137 8.5939 8.5939 15.0171 15.0171 19.6623 19.6623 22.3167 22.3167 24.0271 24.0271 k = 0.3529-0.2038 0.2882 ( 926 PWs) bands (ev): -6.3259 -6.3259 3.3539 3.3539 3.6749 3.6749 4.3739 4.3739 4.3759 4.3759 4.6688 4.6688 7.1878 7.1878 8.4858 8.4858 8.5663 8.5663 15.0182 15.0182 19.5921 19.5921 22.2821 22.2821 24.0159 24.0159 k = 0.3603-0.2080 0.2942 ( 934 PWs) bands (ev): -6.3179 -6.3179 3.3468 3.3468 3.7180 3.7180 4.3816 4.3816 4.4018 4.4018 4.6826 4.6826 7.1358 7.1358 8.4582 8.4582 8.5389 8.5389 15.0128 15.0128 19.5312 19.5312 22.2491 22.2491 24.0064 24.0064 k = 0.3676-0.2123 0.3002 ( 934 PWs) bands (ev): -6.3105 -6.3105 3.3404 3.3404 3.7625 3.7625 4.3891 4.3891 4.4292 4.4292 4.6966 4.6966 7.0815 7.0815 8.4310 8.4310 8.5120 8.5120 15.0018 15.0018 19.4790 19.4790 22.2181 22.2181 23.9985 23.9985 k = 0.3750-0.2165 0.3062 ( 930 PWs) bands (ev): -6.3036 -6.3036 3.3342 3.3342 3.8082 3.8082 4.3963 4.3963 4.4584 4.4584 4.7107 4.7107 7.0252 7.0252 8.4044 8.4044 8.4855 8.4855 14.9858 14.9858 19.4349 19.4349 22.1888 22.1888 23.9920 23.9920 k = 0.3824-0.2208 0.3122 ( 930 PWs) bands (ev): -6.2974 -6.2974 3.3282 3.3282 3.8542 3.8542 4.4031 4.4031 4.4893 4.4893 4.7245 4.7245 6.9667 6.9667 8.3784 8.3784 8.4596 8.4596 14.9657 14.9657 19.3981 19.3981 22.1614 22.1614 23.9869 23.9869 k = 0.3897-0.2250 0.3182 ( 938 PWs) bands (ev): -6.2916 -6.2916 3.3224 3.3224 3.8999 3.8999 4.4093 4.4093 4.5219 4.5219 4.7378 4.7378 6.9061 6.9061 8.3531 8.3531 8.4345 8.4345 14.9422 14.9422 19.3679 19.3679 22.1356 22.1356 23.9829 23.9829 k = 0.3971-0.2292 0.3242 ( 938 PWs) bands (ev): -6.2864 -6.2864 3.3170 3.3170 3.9450 3.9450 4.4152 4.4152 4.5572 4.5572 4.7511 4.7511 6.8437 6.8437 8.3288 8.3288 8.4102 8.4102 14.9162 14.9162 19.3434 19.3434 22.1116 22.1116 23.9799 23.9799 k = 0.4044-0.2335 0.3302 ( 938 PWs) bands (ev): -6.2817 -6.2817 3.3118 3.3118 3.9887 3.9887 4.4208 4.4208 4.5951 4.5951 4.7640 4.7640 6.7797 6.7797 8.3055 8.3055 8.3870 8.3870 14.8885 14.8885 19.3240 19.3240 22.0894 22.0894 23.9778 23.9778 k = 0.4118-0.2377 0.3362 ( 942 PWs) bands (ev): -6.2775 -6.2775 3.3070 3.3070 4.0302 4.0302 4.4260 4.4260 4.6357 4.6357 4.7764 4.7764 6.7140 6.7140 8.2833 8.2833 8.3648 8.3648 14.8598 14.8598 19.3088 19.3088 22.0688 22.0688 23.9764 23.9764 k = 0.4191-0.2420 0.3422 ( 942 PWs) bands (ev): -6.2736 -6.2736 3.3025 3.3025 4.0694 4.0694 4.4308 4.4308 4.6794 4.6794 4.7882 4.7882 6.6475 6.6475 8.2624 8.2624 8.3439 8.3439 14.8309 14.8309 19.2973 19.2973 22.0499 22.0499 23.9757 23.9757 k = 0.4265-0.2462 0.3482 ( 942 PWs) bands (ev): -6.2702 -6.2702 3.2984 3.2984 4.1055 4.1055 4.4351 4.4351 4.7258 4.7258 4.7994 4.7994 6.5802 6.5802 8.2429 8.2429 8.3243 8.3243 14.8025 14.8025 19.2889 19.2889 22.0327 22.0327 23.9755 23.9755 k = 0.4338-0.2505 0.3542 ( 942 PWs) bands (ev): -6.2672 -6.2672 3.2947 3.2947 4.1382 4.1382 4.4392 4.4392 4.7747 4.7747 4.8100 4.8100 6.5127 6.5127 8.2248 8.2248 8.3062 8.3062 14.7751 14.7751 19.2828 19.2828 22.0172 22.0172 23.9756 23.9756 k = 0.4412-0.2547 0.3602 ( 942 PWs) bands (ev): -6.2646 -6.2646 3.2913 3.2913 4.1674 4.1674 4.4427 4.4427 4.8196 4.8196 4.8256 4.8256 6.4458 6.4458 8.2083 8.2083 8.2897 8.2897 14.7492 14.7492 19.2787 19.2787 22.0033 22.0033 23.9761 23.9761 k = 0.4485-0.2590 0.3662 ( 942 PWs) bands (ev): -6.2624 -6.2624 3.2883 3.2883 4.1928 4.1928 4.4458 4.4458 4.8282 4.8282 4.8776 4.8776 6.3802 6.3802 8.1935 8.1935 8.2748 8.2748 14.7254 14.7254 19.2761 19.2761 21.9911 21.9911 23.9767 23.9767 k = 0.4559-0.2632 0.3722 ( 942 PWs) bands (ev): -6.2604 -6.2604 3.2856 3.2856 4.2146 4.2146 4.4486 4.4486 4.8359 4.8359 4.9294 4.9294 6.3169 6.3169 8.1805 8.1805 8.2618 8.2618 14.7040 14.7040 19.2745 19.2745 21.9805 21.9805 23.9774 23.9774 k = 0.4632-0.2674 0.3782 ( 942 PWs) bands (ev): -6.2588 -6.2588 3.2833 3.2833 4.2328 4.2328 4.4508 4.4508 4.8426 4.8426 4.9796 4.9796 6.2575 6.2575 8.1694 8.1694 8.2506 8.2506 14.6853 14.6853 19.2738 19.2738 21.9716 21.9716 23.9781 23.9781 k = 0.4706-0.2717 0.3842 ( 934 PWs) bands (ev): -6.2576 -6.2576 3.2816 3.2816 4.2477 4.2477 4.4530 4.4530 4.8484 4.8484 5.0263 5.0263 6.2037 6.2037 8.1602 8.1602 8.2413 8.2413 14.6697 14.6697 19.2736 19.2736 21.9643 21.9643 23.9788 23.9788 k = 0.4779-0.2759 0.3902 ( 934 PWs) bands (ev): -6.2566 -6.2566 3.2801 3.2801 4.2590 4.2590 4.4545 4.4545 4.8527 4.8527 5.0669 5.0669 6.1577 6.1577 8.1529 8.1529 8.2340 8.2340 14.6573 14.6573 19.2736 19.2736 21.9586 21.9586 23.9794 23.9794 k = 0.4853-0.2802 0.3962 ( 934 PWs) bands (ev): -6.2559 -6.2559 3.2791 3.2791 4.2670 4.2670 4.4555 4.4555 4.8558 4.8558 5.0988 5.0988 6.1220 6.1220 8.1477 8.1477 8.2288 8.2288 14.6483 14.6483 19.2737 19.2737 21.9546 21.9546 23.9799 23.9799 k = 0.4926-0.2844 0.4022 ( 934 PWs) bands (ev): -6.2555 -6.2555 3.2785 3.2785 4.2717 4.2717 4.4562 4.4562 4.8577 4.8577 5.1194 5.1194 6.0992 6.0992 8.1446 8.1446 8.2256 8.2256 14.6429 14.6429 19.2738 19.2738 21.9522 21.9522 23.9801 23.9801 k = 0.5000-0.2887 0.4082 ( 934 PWs) bands (ev): -6.2553 -6.2553 3.2783 3.2783 4.2733 4.2733 4.4564 4.4564 4.8584 4.8584 5.1265 5.1265 6.0914 6.0914 8.1436 8.1436 8.2246 8.2246 14.6411 14.6411 19.2739 19.2739 21.9513 21.9513 23.9802 23.9802 k = 0.5000-0.2887 0.4082 ( 934 PWs) bands (ev): -6.2553 -6.2553 3.2783 3.2783 4.2733 4.2733 4.4564 4.4564 4.8584 4.8584 5.1265 5.1265 6.0914 6.0914 8.1436 8.1436 8.2246 8.2246 14.6411 14.6411 19.2739 19.2739 21.9513 21.9513 23.9802 23.9802 k = 0.5000-0.2802 0.4143 ( 934 PWs) bands (ev): -6.2551 -6.2551 3.2784 3.2784 4.2725 4.2725 4.4550 4.4550 4.8570 4.8570 5.1255 5.1255 6.0942 6.0942 8.1443 8.1443 8.2250 8.2250 14.6445 14.6445 19.2740 19.2740 21.9425 21.9425 23.9841 23.9841 k = 0.5000-0.2717 0.4203 ( 934 PWs) bands (ev): -6.2544 -6.2544 3.2789 3.2789 4.2699 4.2699 4.4510 4.4510 4.8530 4.8530 5.1225 5.1225 6.1024 6.1024 8.1462 8.1462 8.2266 8.2266 14.6549 14.6549 19.2742 19.2742 21.9165 21.9165 23.9934 23.9934 k = 0.5000-0.2632 0.4263 ( 938 PWs) bands (ev): -6.2533 -6.2533 3.2795 3.2795 4.2654 4.2654 4.4443 4.4443 4.8461 4.8461 5.1177 5.1177 6.1160 6.1160 8.1489 8.1489 8.2296 8.2296 14.6721 14.6721 19.2746 19.2746 21.8749 21.8749 24.0020 24.0020 k = 0.5000-0.2547 0.4323 ( 938 PWs) bands (ev): -6.2517 -6.2517 3.2806 3.2806 4.2591 4.2591 4.4355 4.4355 4.8366 4.8366 5.1116 5.1116 6.1346 6.1346 8.1513 8.1513 8.2348 8.2348 14.6960 14.6960 19.2752 19.2752 21.8200 21.8200 24.0024 24.0024 k = 0.5000-0.2462 0.4383 ( 938 PWs) bands (ev): -6.2497 -6.2497 3.2819 3.2819 4.2506 4.2506 4.4248 4.4248 4.8245 4.8245 5.1045 5.1045 6.1579 6.1579 8.1527 8.1527 8.2429 8.2429 14.7267 14.7267 19.2759 19.2759 21.7540 21.7540 23.9887 23.9887 k = 0.5000-0.2377 0.4443 ( 938 PWs) bands (ev): -6.2473 -6.2473 3.2835 3.2835 4.2397 4.2397 4.4126 4.4126 4.8099 4.8099 5.0970 5.0970 6.1855 6.1855 8.1523 8.1523 8.2544 8.2544 14.7640 14.7640 19.2769 19.2769 21.6795 21.6795 23.9594 23.9594 k = 0.5000-0.2292 0.4503 ( 942 PWs) bands (ev): -6.2445 -6.2445 3.2853 3.2853 4.2262 4.2262 4.3991 4.3991 4.7928 4.7928 5.0893 5.0893 6.2169 6.2169 8.1498 8.1498 8.2690 8.2690 14.8077 14.8077 19.2781 19.2781 21.5985 21.5985 23.9159 23.9159 k = 0.5000-0.2208 0.4563 ( 942 PWs) bands (ev): -6.2414 -6.2414 3.2874 3.2874 4.2100 4.2100 4.3849 4.3849 4.7737 4.7737 5.0819 5.0819 6.2517 6.2517 8.1453 8.1453 8.2866 8.2866 14.8578 14.8578 19.2797 19.2797 21.5128 21.5128 23.8599 23.8599 k = 0.5000-0.2123 0.4623 ( 944 PWs) bands (ev): -6.2379 -6.2379 3.2898 3.2898 4.1909 4.1909 4.3702 4.3702 4.7528 4.7528 5.0749 5.0749 6.2896 6.2896 8.1390 8.1390 8.3065 8.3065 14.9139 14.9139 19.2815 19.2815 21.4240 21.4240 23.7934 23.7934 k = 0.5000-0.2038 0.4683 ( 944 PWs) bands (ev): -6.2341 -6.2341 3.2925 3.2925 4.1692 4.1692 4.3549 4.3549 4.7309 4.7309 5.0685 5.0685 6.3302 6.3302 8.1310 8.1310 8.3282 8.3282 14.9758 14.9758 19.2837 19.2837 21.3332 21.3332 23.7177 23.7177 k = 0.5000-0.1953 0.4743 ( 944 PWs) bands (ev): -6.2300 -6.2300 3.2954 3.2954 4.1450 4.1450 4.3391 4.3391 4.7084 4.7084 5.0627 5.0627 6.3731 6.3731 8.1215 8.1215 8.3512 8.3512 15.0434 15.0434 19.2864 19.2864 21.2415 21.2415 23.6339 23.6339 k = 0.5000-0.1868 0.4803 ( 940 PWs) bands (ev): -6.2256 -6.2256 3.2987 3.2987 4.1188 4.1188 4.3226 4.3226 4.6860 4.6860 5.0576 5.0576 6.4180 6.4180 8.1105 8.1105 8.3752 8.3752 15.1163 15.1163 19.2896 19.2896 21.1496 21.1496 23.5430 23.5430 k = 0.5000-0.1783 0.4863 ( 944 PWs) bands (ev): -6.2210 -6.2210 3.3020 3.3020 4.0908 4.0908 4.3049 4.3049 4.6638 4.6638 5.0530 5.0530 6.4645 6.4645 8.0981 8.0981 8.3996 8.3996 15.1941 15.1941 19.2932 19.2932 21.0581 21.0581 23.4459 23.4459 k = 0.5000-0.1698 0.4923 ( 938 PWs) bands (ev): -6.2163 -6.2163 3.3056 3.3056 4.0617 4.0617 4.2864 4.2864 4.6430 4.6430 5.0491 5.0491 6.5126 6.5126 8.0843 8.0843 8.4243 8.4243 15.2765 15.2765 19.2975 19.2975 20.9675 20.9675 23.3433 23.3433 k = 0.5000-0.1613 0.4983 ( 938 PWs) bands (ev): -6.2114 -6.2114 3.3092 3.3092 4.0315 4.0315 4.2665 4.2665 4.6234 4.6234 5.0456 5.0456 6.5619 6.5619 8.0692 8.0692 8.4489 8.4489 15.3631 15.3631 19.3025 19.3025 20.8783 20.8783 23.2360 23.2360 k = 0.5000-0.1528 0.5043 ( 930 PWs) bands (ev): -6.2064 -6.2064 3.3130 3.3130 4.0012 4.0012 4.2454 4.2454 4.6056 4.6056 5.0429 5.0429 6.6121 6.6121 8.0526 8.0526 8.4731 8.4731 15.4534 15.4534 19.3083 19.3083 20.7910 20.7910 23.1248 23.1248 k = 0.5000-0.1443 0.5103 ( 930 PWs) bands (ev): -6.2013 -6.2013 3.3167 3.3167 3.9707 3.9707 4.2229 4.2229 4.5895 4.5895 5.0403 5.0403 6.6631 6.6631 8.0347 8.0347 8.4969 8.4969 15.5468 15.5468 19.3149 19.3149 20.7056 20.7056 23.0104 23.0104 k = 0.5000-0.1358 0.5163 ( 930 PWs) bands (ev): -6.1963 -6.1963 3.3203 3.3203 3.9407 3.9407 4.1994 4.1994 4.5752 4.5752 5.0380 5.0380 6.7146 6.7146 8.0153 8.0153 8.5198 8.5198 15.6429 15.6429 19.3223 19.3223 20.6223 20.6223 22.8938 22.8938 k = 0.5000-0.1274 0.5223 ( 926 PWs) bands (ev): -6.1912 -6.1912 3.3238 3.3238 3.9117 3.9117 4.1750 4.1750 4.5628 4.5628 5.0361 5.0361 6.7667 6.7667 7.9946 7.9946 8.5419 8.5419 15.7409 15.7409 19.3308 19.3308 20.5415 20.5415 22.7756 22.7756 k = 0.5000-0.1189 0.5283 ( 926 PWs) bands (ev): -6.1863 -6.1863 3.3271 3.3271 3.8838 3.8838 4.1499 4.1499 4.5519 4.5519 5.0344 5.0344 6.8189 6.8189 7.9724 7.9724 8.5630 8.5630 15.8402 15.8402 19.3403 19.3403 20.4633 20.4633 22.6568 22.6568 k = 0.5000-0.1104 0.5343 ( 934 PWs) bands (ev): -6.1815 -6.1815 3.3299 3.3299 3.8574 3.8574 4.1243 4.1243 4.5423 4.5423 5.0327 5.0327 6.8712 6.8712 7.9486 7.9486 8.5828 8.5828 15.9401 15.9401 19.3509 19.3509 20.3877 20.3877 22.5383 22.5383 k = 0.5000-0.1019 0.5403 ( 938 PWs) bands (ev): -6.1768 -6.1768 3.3324 3.3324 3.8330 3.8330 4.0987 4.0987 4.5342 4.5342 5.0314 5.0314 6.9235 6.9235 7.9235 7.9235 8.6015 8.6015 16.0395 16.0395 19.3628 19.3628 20.3150 20.3150 22.4211 22.4211 k = 0.5000-0.0934 0.5463 ( 938 PWs) bands (ev): -6.1723 -6.1723 3.3344 3.3344 3.8110 3.8110 4.0736 4.0736 4.5274 4.5274 5.0303 5.0303 6.9756 6.9756 7.8969 7.8969 8.6189 8.6189 16.1377 16.1377 19.3759 19.3759 20.2452 20.2452 22.3063 22.3063 k = 0.5000-0.0849 0.5523 ( 934 PWs) bands (ev): -6.1681 -6.1681 3.3360 3.3360 3.7917 3.7917 4.0491 4.0491 4.5216 4.5216 5.0294 5.0294 7.0274 7.0274 7.8688 7.8688 8.6350 8.6350 16.2337 16.2337 19.3905 19.3905 20.1784 20.1784 22.1949 22.1949 k = 0.5000-0.0764 0.5583 ( 932 PWs) bands (ev): -6.1641 -6.1641 3.3370 3.3370 3.7749 3.7749 4.0253 4.0253 4.5167 4.5167 5.0287 5.0287 7.0788 7.0788 7.8393 7.8393 8.6496 8.6496 16.3262 16.3262 19.4065 19.4065 20.1146 20.1146 22.0883 22.0883 k = 0.5000-0.0679 0.5643 ( 932 PWs) bands (ev): -6.1604 -6.1604 3.3373 3.3373 3.7610 3.7610 4.0026 4.0026 4.5126 4.5126 5.0280 5.0280 7.1297 7.1297 7.8082 7.8082 8.6627 8.6627 16.4141 16.4141 19.4239 19.4239 20.0540 20.0540 21.9876 21.9876 k = 0.5000-0.0594 0.5703 ( 928 PWs) bands (ev): -6.1571 -6.1571 3.3372 3.3372 3.7499 3.7499 3.9813 3.9813 4.5092 4.5092 5.0275 5.0275 7.1799 7.1799 7.7757 7.7757 8.6743 8.6743 16.4961 16.4961 19.4429 19.4429 19.9967 19.9967 21.8942 21.8942 k = 0.5000-0.0509 0.5764 ( 932 PWs) bands (ev): -6.1542 -6.1542 3.3363 3.3363 3.7412 3.7412 3.9615 3.9615 4.5062 4.5062 5.0270 5.0270 7.2294 7.2294 7.7417 7.7417 8.6844 8.6844 16.5710 16.5710 19.4633 19.4633 19.9426 19.9426 21.8095 21.8095 k = 0.5000-0.0425 0.5824 ( 934 PWs) bands (ev): -6.1517 -6.1517 3.3352 3.3352 3.7351 3.7351 3.9437 3.9437 4.5039 4.5039 5.0266 5.0266 7.2781 7.2781 7.7063 7.7063 8.6930 8.6930 16.6373 16.6373 19.4851 19.4851 19.8922 19.8922 21.7348 21.7348 k = 0.5000-0.0340 0.5884 ( 930 PWs) bands (ev): -6.1496 -6.1496 3.3341 3.3341 3.7312 3.7312 3.9285 3.9285 4.5021 4.5021 5.0263 5.0263 7.3259 7.3259 7.6695 7.6695 8.7000 8.7000 16.6938 16.6938 19.5080 19.5080 19.8458 19.8458 21.6715 21.6715 k = 0.5000-0.0255 0.5944 ( 932 PWs) bands (ev): -6.1479 -6.1479 3.3329 3.3329 3.7289 3.7289 3.9157 3.9157 4.5007 4.5007 5.0261 5.0261 7.3726 7.3726 7.6314 7.6314 8.7054 8.7054 16.7392 16.7392 19.5313 19.5313 19.8042 19.8042 21.6207 21.6207 k = 0.5000-0.0170 0.6004 ( 932 PWs) bands (ev): -6.1467 -6.1467 3.3319 3.3319 3.7277 3.7277 3.9062 3.9062 4.4997 4.4997 5.0259 5.0259 7.4180 7.4180 7.5921 7.5921 8.7093 8.7093 16.7725 16.7725 19.5534 19.5534 19.7689 19.7689 21.5836 21.5836 k = 0.5000-0.0085 0.6064 ( 932 PWs) bands (ev): -6.1460 -6.1460 3.3313 3.3313 3.7272 3.7272 3.9004 3.9004 4.4992 4.4992 5.0258 5.0258 7.4616 7.4616 7.5523 7.5523 8.7116 8.7116 16.7929 16.7929 19.5710 19.5710 19.7433 19.7433 21.5610 21.5610 k = 0.5000-0.0000 0.6124 ( 932 PWs) bands (ev): -6.1458 -6.1458 3.3311 3.3311 3.7271 3.7271 3.8984 3.8984 4.4990 4.4990 5.0258 5.0258 7.4929 7.4929 7.5221 7.5221 8.7124 8.7124 16.7997 16.7997 19.5782 19.5782 19.7335 19.7335 21.5534 21.5534 k = 0.5000-0.0000 0.6124 ( 932 PWs) bands (ev): -6.1458 -6.1458 3.3311 3.3311 3.7271 3.7271 3.8984 3.8984 4.4990 4.4990 5.0258 5.0258 7.4929 7.4929 7.5221 7.5221 8.7124 8.7124 16.7997 16.7997 19.5782 19.5782 19.7335 19.7335 21.5534 21.5534 k = 0.4948 0.0090 0.6124 ( 932 PWs) bands (ev): -6.1459 -6.1459 3.3309 3.3309 3.7267 3.7267 3.8993 3.8993 4.4988 4.4988 5.0250 5.0250 7.4740 7.4740 7.5403 7.5403 8.7146 8.7146 16.7970 16.7970 19.5727 19.5727 19.7355 19.7355 21.5621 21.5621 k = 0.4896 0.0180 0.6124 ( 932 PWs) bands (ev): -6.1461 -6.1461 3.3304 3.3304 3.7257 3.7257 3.9023 3.9023 4.4983 4.4983 5.0226 5.0226 7.4463 7.4463 7.5658 7.5658 8.7214 8.7214 16.7892 16.7892 19.5595 19.5595 19.7376 19.7376 21.5886 21.5886 k = 0.4844 0.0271 0.6124 ( 932 PWs) bands (ev): -6.1465 -6.1465 3.3296 3.3296 3.7244 3.7244 3.9069 3.9069 4.4976 4.4976 5.0187 5.0187 7.4183 7.4183 7.5895 7.5895 8.7330 8.7330 16.7764 16.7764 19.5426 19.5426 19.7358 19.7358 21.6328 21.6328 k = 0.4792 0.0361 0.6124 ( 934 PWs) bands (ev): -6.1471 -6.1471 3.3282 3.3282 3.7230 3.7230 3.9130 3.9130 4.4966 4.4966 5.0132 5.0132 7.3910 7.3910 7.6106 7.6106 8.7493 8.7493 16.7590 16.7590 19.5241 19.5241 19.7286 19.7286 21.6937 21.6937 k = 0.4740 0.0451 0.6124 ( 930 PWs) bands (ev): -6.1477 -6.1477 3.3263 3.3263 3.7221 3.7221 3.9204 3.9204 4.4956 4.4956 5.0065 5.0065 7.3644 7.3644 7.6286 7.6286 8.7703 8.7703 16.7372 16.7372 19.5052 19.5052 19.7159 19.7159 21.7701 21.7701 k = 0.4688 0.0541 0.6124 ( 926 PWs) bands (ev): -6.1485 -6.1485 3.3239 3.3239 3.7217 3.7217 3.9286 3.9286 4.4946 4.4946 4.9984 4.9984 7.3388 7.3388 7.6436 7.6436 8.7958 8.7958 16.7116 16.7116 19.4862 19.4862 19.6986 19.6986 21.8602 21.8602 k = 0.4635 0.0631 0.6124 ( 928 PWs) bands (ev): -6.1493 -6.1493 3.3208 3.3208 3.7221 3.7221 3.9373 3.9373 4.4935 4.4935 4.9889 4.9889 7.3142 7.3142 7.6556 7.6556 8.8251 8.8251 16.6824 16.6824 19.4675 19.4675 19.6779 19.6779 21.9619 21.9619 k = 0.4583 0.0722 0.6124 ( 928 PWs) bands (ev): -6.1502 -6.1502 3.3171 3.3171 3.7235 3.7235 3.9462 3.9462 4.4924 4.4924 4.9783 4.9783 7.2907 7.2907 7.6648 7.6648 8.8578 8.8578 16.6503 16.6503 19.4493 19.4493 19.6548 19.6548 22.0735 22.0735 k = 0.4531 0.0812 0.6124 ( 928 PWs) bands (ev): -6.1511 -6.1511 3.3128 3.3128 3.7261 3.7261 3.9552 3.9552 4.4916 4.4916 4.9666 4.9666 7.2683 7.2683 7.6715 7.6715 8.8933 8.8933 16.6157 16.6157 19.4317 19.4317 19.6307 19.6307 22.1931 22.1931 k = 0.4479 0.0902 0.6124 ( 928 PWs) bands (ev): -6.1521 -6.1521 3.3081 3.3081 3.7298 3.7298 3.9640 3.9640 4.4911 4.4911 4.9539 4.9539 7.2471 7.2471 7.6761 7.6761 8.9308 8.9308 16.5793 16.5793 19.4146 19.4146 19.6065 19.6065 22.3190 22.3190 k = 0.4427 0.0992 0.6124 ( 928 PWs) bands (ev): -6.1530 -6.1530 3.3030 3.3030 3.7346 3.7346 3.9724 3.9724 4.4911 4.4911 4.9405 4.9405 7.2272 7.2272 7.6788 7.6788 8.9697 8.9697 16.5415 16.5415 19.3980 19.3980 19.5829 19.5829 22.4497 22.4497 k = 0.4375 0.1083 0.6124 ( 930 PWs) bands (ev): -6.1540 -6.1540 3.2976 3.2976 3.7404 3.7404 3.9800 3.9800 4.4916 4.4916 4.9264 4.9264 7.2085 7.2085 7.6801 7.6801 9.0092 9.0092 16.5031 16.5031 19.3822 19.3822 19.5605 19.5605 22.5835 22.5835 k = 0.4323 0.1173 0.6124 ( 930 PWs) bands (ev): -6.1549 -6.1549 3.2921 3.2921 3.7470 3.7470 3.9869 3.9869 4.4928 4.4928 4.9118 4.9118 7.1912 7.1912 7.6803 7.6803 9.0485 9.0485 16.4647 16.4647 19.3670 19.3670 19.5398 19.5398 22.7191 22.7191 k = 0.4271 0.1263 0.6124 ( 934 PWs) bands (ev): -6.1558 -6.1558 3.2865 3.2865 3.7543 3.7543 3.9927 3.9927 4.4947 4.4947 4.8969 4.8969 7.1752 7.1752 7.6796 7.6796 9.0870 9.0870 16.4268 16.4268 19.3526 19.3526 19.5209 19.5209 22.8549 22.8549 k = 0.4219 0.1353 0.6124 ( 930 PWs) bands (ev): -6.1566 -6.1566 3.2812 3.2812 3.7623 3.7623 3.9977 3.9977 4.4975 4.4975 4.8820 4.8820 7.1607 7.1607 7.6783 7.6783 9.1240 9.1240 16.3902 16.3902 19.3391 19.3391 19.5041 19.5041 22.9893 22.9893 k = 0.4167 0.1443 0.6124 ( 928 PWs) bands (ev): -6.1574 -6.1574 3.2761 3.2761 3.7706 3.7706 4.0016 4.0016 4.5010 4.5010 4.8672 4.8672 7.1476 7.1476 7.6766 7.6766 9.1590 9.1590 16.3556 16.3556 19.3266 19.3266 19.4893 19.4893 23.1205 23.1205 k = 0.4115 0.1534 0.6124 ( 932 PWs) bands (ev): -6.1582 -6.1582 3.2712 3.2712 3.7788 3.7788 4.0043 4.0043 4.5049 4.5049 4.8527 4.8527 7.1360 7.1360 7.6747 7.6747 9.1912 9.1912 16.3234 16.3234 19.3153 19.3153 19.4764 19.4764 23.2466 23.2466 k = 0.4062 0.1624 0.6124 ( 932 PWs) bands (ev): -6.1588 -6.1588 3.2668 3.2668 3.7868 3.7868 4.0061 4.0061 4.5095 4.5095 4.8390 4.8390 7.1258 7.1258 7.6728 7.6728 9.2203 9.2203 16.2942 16.2942 19.3052 19.3052 19.4656 19.4656 23.3652 23.3652 k = 0.4010 0.1714 0.6124 ( 932 PWs) bands (ev): -6.1594 -6.1594 3.2630 3.2630 3.7943 3.7943 4.0071 4.0071 4.5142 4.5142 4.8263 4.8263 7.1172 7.1172 7.6710 7.6710 9.2458 9.2458 16.2686 16.2686 19.2965 19.2965 19.4566 19.4566 23.4738 23.4738 k = 0.3958 0.1804 0.6124 ( 934 PWs) bands (ev): -6.1598 -6.1598 3.2595 3.2595 3.8011 3.8011 4.0074 4.0074 4.5189 4.5189 4.8150 4.8150 7.1102 7.1102 7.6693 7.6693 9.2672 9.2672 16.2470 16.2470 19.2892 19.2892 19.4493 19.4493 23.5693 23.5693 k = 0.3906 0.1894 0.6124 ( 933 PWs) bands (ev): -6.1602 -6.1602 3.2569 3.2569 3.8068 3.8068 4.0074 4.0074 4.5232 4.5232 4.8057 4.8057 7.1047 7.1047 7.6680 7.6680 9.2842 9.2842 16.2298 16.2298 19.2835 19.2835 19.4438 19.4438 23.6485 23.6485 k = 0.3854 0.1985 0.6124 ( 933 PWs) bands (ev): -6.1605 -6.1605 3.2550 3.2550 3.8111 3.8111 4.0071 4.0071 4.5266 4.5266 4.7986 4.7986 7.1007 7.1007 7.6670 7.6670 9.2965 9.2965 16.2172 16.2172 19.2794 19.2794 19.4399 19.4399 23.7082 23.7082 k = 0.3802 0.2075 0.6124 ( 935 PWs) bands (ev): -6.1606 -6.1606 3.2539 3.2539 3.8137 3.8137 4.0068 4.0068 4.5287 4.5287 4.7941 4.7941 7.0983 7.0983 7.6663 7.6663 9.3040 9.3040 16.2096 16.2096 19.2769 19.2769 19.4376 19.4376 23.7454 23.7454 k = 0.3750 0.2165 0.6124 ( 937 PWs) bands (ev): -6.1607 -6.1607 3.2535 3.2535 3.8146 3.8146 4.0067 4.0067 4.5294 4.5294 4.7925 4.7925 7.0975 7.0975 7.6661 7.6661 9.3065 9.3065 16.2071 16.2071 19.2761 19.2761 19.4368 19.4368 23.7580 23.7580 k = 0.3750 0.2165 0.6124 ( 937 PWs) bands (ev): -6.1607 -6.1607 3.2535 3.2535 3.8146 3.8146 4.0067 4.0067 4.5294 4.5294 4.7925 4.7925 7.0975 7.0975 7.6661 7.6661 9.3065 9.3065 16.2071 16.2071 19.2761 19.2761 19.4368 19.4368 23.7580 23.7580 k = 0.3698 0.2135 0.6039 ( 937 PWs) bands (ev): -6.1559 -6.1559 3.2444 3.2444 3.7851 3.7851 3.9830 3.9830 4.5190 4.5190 4.7774 4.7774 7.1576 7.1576 7.6403 7.6403 9.3764 9.3764 16.3131 16.3131 19.1696 19.1696 19.4120 19.4120 23.7323 23.7323 k = 0.3646 0.2105 0.5954 ( 937 PWs) bands (ev): -6.1513 -6.1513 3.2346 3.2346 3.7560 3.7560 3.9598 3.9598 4.5094 4.5094 4.7631 4.7631 7.2176 7.2176 7.6152 7.6152 9.4461 9.4461 16.4203 16.4203 19.0385 19.0385 19.4137 19.4137 23.7070 23.7070 k = 0.3594 0.2075 0.5869 ( 933 PWs) bands (ev): -6.1471 -6.1471 3.2239 3.2239 3.7274 3.7274 3.9373 3.9373 4.5005 4.5005 4.7498 4.7498 7.2775 7.2775 7.5911 7.5911 9.5153 9.5153 16.5282 16.5282 18.9013 18.9013 19.4233 19.4233 23.6826 23.6826 k = 0.3542 0.2045 0.5784 ( 933 PWs) bands (ev): -6.1434 -6.1434 3.2126 3.2126 3.6992 3.6992 3.9152 3.9152 4.4920 4.4920 4.7373 4.7373 7.3369 7.3369 7.5682 7.5682 9.5837 9.5837 16.6367 16.6367 18.7629 18.7629 19.4366 19.4366 23.6590 23.6590 k = 0.3490 0.2015 0.5698 ( 937 PWs) bands (ev): -6.1400 -6.1400 3.2006 3.2006 3.6716 3.6716 3.8937 3.8937 4.4838 4.4838 4.7256 4.7256 7.3949 7.3949 7.5472 7.5472 9.6512 9.6512 16.7453 16.7453 18.6249 18.6249 19.4524 19.4524 23.6367 23.6367 k = 0.3438 0.1985 0.5613 ( 931 PWs) bands (ev): -6.1372 -6.1372 3.1884 3.1884 3.6449 3.6449 3.8732 3.8732 4.4761 4.4761 4.7151 4.7151 7.4482 7.4482 7.5316 7.5316 9.7176 9.7176 16.8534 16.8534 18.4886 18.4886 19.4704 19.4704 23.6157 23.6157 k = 0.3385 0.1955 0.5528 ( 935 PWs) bands (ev): -6.1349 -6.1349 3.1757 3.1757 3.6189 3.6189 3.8533 3.8533 4.4684 4.4684 4.7051 4.7051 7.4762 7.4762 7.5417 7.5417 9.7826 9.7826 16.9598 16.9598 18.3551 18.3551 19.4904 19.4904 23.5964 23.5964 k = 0.3333 0.1925 0.5443 ( 935 PWs) bands (ev): -6.1332 -6.1332 3.1630 3.1630 3.5938 3.5938 3.8342 3.8342 4.4609 4.4609 4.6963 4.6963 7.4677 7.4677 7.5887 7.5887 9.8461 9.8461 17.0630 17.0630 18.2265 18.2265 19.5123 19.5123 23.5790 23.5790 k = 0.3281 0.1894 0.5358 ( 935 PWs) bands (ev): -6.1322 -6.1322 3.1503 3.1503 3.5697 3.5697 3.8160 3.8160 4.4534 4.4534 4.6885 4.6885 7.4509 7.4509 7.6444 7.6444 9.9078 9.9078 17.1594 17.1594 18.1065 18.1065 19.5361 19.5361 23.5636 23.5636 k = 0.3229 0.1864 0.5273 ( 935 PWs) bands (ev): -6.1318 -6.1318 3.1379 3.1379 3.5466 3.5466 3.7986 3.7986 4.4458 4.4458 4.6816 4.6816 7.4330 7.4330 7.7013 7.7013 9.9675 9.9675 17.2421 17.2421 18.0020 18.0020 19.5620 19.5620 23.5505 23.5505 k = 0.3177 0.1834 0.5188 ( 937 PWs) bands (ev): -6.1321 -6.1321 3.1257 3.1257 3.5246 3.5246 3.7822 3.7822 4.4380 4.4380 4.6753 4.6753 7.4152 7.4152 7.7583 7.7583 10.0252 10.0252 17.2973 17.2973 17.9268 17.9268 19.5900 19.5900 23.5400 23.5400 k = 0.3125 0.1804 0.5103 ( 945 PWs) bands (ev): -6.1332 -6.1332 3.1139 3.1139 3.5036 3.5036 3.7665 3.7665 4.4298 4.4298 4.6699 4.6699 7.3979 7.3979 7.8149 7.8149 10.0805 10.0805 17.3054 17.3054 17.9008 17.9008 19.6202 19.6202 23.5322 23.5322 k = 0.3073 0.1774 0.5018 ( 927 PWs) bands (ev): -6.1351 -6.1351 3.1033 3.1033 3.4846 3.4846 3.7524 3.7524 4.4221 4.4221 4.6654 4.6654 7.3814 7.3814 7.8710 7.8710 10.1336 10.1336 17.2588 17.2588 17.9318 17.9318 19.6527 19.6527 23.5274 23.5274 k = 0.3021 0.1744 0.4933 ( 927 PWs) bands (ev): -6.1378 -6.1378 3.0930 3.0930 3.4663 3.4663 3.7389 3.7389 4.4136 4.4136 4.6613 4.6613 7.3654 7.3654 7.9263 7.9263 10.1838 10.1838 17.1723 17.1723 18.0048 18.0048 19.6875 19.6875 23.5257 23.5257 k = 0.2969 0.1714 0.4848 ( 927 PWs) bands (ev): -6.1414 -6.1414 3.0837 3.0837 3.4494 3.4494 3.7265 3.7265 4.4048 4.4048 4.6576 4.6576 7.3502 7.3502 7.9808 7.9808 10.2312 10.2312 17.0643 17.0643 18.1016 18.1016 19.7247 19.7247 23.5275 23.5275 k = 0.2917 0.1684 0.4763 ( 927 PWs) bands (ev): -6.1459 -6.1459 3.0755 3.0755 3.4339 3.4339 3.7150 3.7150 4.3958 4.3958 4.6542 4.6542 7.3358 7.3358 8.0343 8.0343 10.2757 10.2757 16.9456 16.9456 18.2115 18.2115 19.7644 19.7644 23.5329 23.5329 k = 0.2865 0.1654 0.4678 ( 927 PWs) bands (ev): -6.1512 -6.1512 3.0683 3.0683 3.4198 3.4198 3.7047 3.7047 4.3866 4.3866 4.6510 4.6510 7.3221 7.3221 8.0869 8.0869 10.3170 10.3170 16.8213 16.8213 18.3294 18.3294 19.8068 19.8068 23.5421 23.5421 k = 0.2812 0.1624 0.4593 ( 927 PWs) bands (ev): -6.1574 -6.1574 3.0625 3.0625 3.4071 3.4071 3.6954 3.6954 4.3771 4.3771 4.6479 4.6479 7.3092 7.3092 8.1385 8.1385 10.3552 10.3552 16.6941 16.6941 18.4528 18.4528 19.8519 19.8519 23.5553 23.5553 k = 0.2760 0.1594 0.4508 ( 927 PWs) bands (ev): -6.1646 -6.1646 3.0579 3.0579 3.3959 3.3959 3.6872 3.6872 4.3674 4.3674 4.6448 4.6448 7.2971 7.2971 8.1890 8.1890 10.3900 10.3900 16.5654 16.5654 18.5804 18.5804 19.8998 19.8998 23.5727 23.5727 k = 0.2708 0.1564 0.4423 ( 929 PWs) bands (ev): -6.1727 -6.1727 3.0546 3.0546 3.3858 3.3858 3.6800 3.6800 4.3576 4.3576 4.6420 4.6420 7.2858 7.2858 8.2383 8.2383 10.4211 10.4211 16.4358 16.4358 18.7114 18.7114 19.9505 19.9505 23.5943 23.5943 k = 0.2656 0.1534 0.4338 ( 929 PWs) bands (ev): -6.1817 -6.1817 3.0529 3.0529 3.3775 3.3775 3.6740 3.6740 4.3477 4.3477 4.6385 4.6385 7.2754 7.2754 8.2864 8.2864 10.4490 10.4490 16.3059 16.3059 18.8454 18.8454 20.0043 20.0043 23.6205 23.6205 k = 0.2604 0.1504 0.4253 ( 925 PWs) bands (ev): -6.1916 -6.1916 3.0527 3.0527 3.3706 3.3706 3.6692 3.6692 4.3380 4.3380 4.6348 4.6348 7.2660 7.2660 8.3333 8.3333 10.4733 10.4733 16.1760 16.1760 18.9823 18.9823 20.0612 20.0612 23.6513 23.6513 k = 0.2552 0.1473 0.4168 ( 921 PWs) bands (ev): -6.2024 -6.2024 3.0540 3.0540 3.3651 3.3651 3.6657 3.6657 4.3281 4.3281 4.6307 4.6307 7.2575 7.2575 8.3790 8.3790 10.4940 10.4940 16.0462 16.0462 19.1218 19.1218 20.1214 20.1214 23.6868 23.6868 k = 0.2500 0.1443 0.4082 ( 919 PWs) bands (ev): -6.2141 -6.2141 3.0568 3.0568 3.3611 3.3611 3.6632 3.6632 4.3181 4.3181 4.6263 4.6263 7.2499 7.2499 8.4233 8.4233 10.5109 10.5109 15.9166 15.9166 19.2638 19.2638 20.1849 20.1849 23.7272 23.7272 k = 0.2448 0.1413 0.3997 ( 921 PWs) bands (ev): -6.2267 -6.2267 3.0610 3.0610 3.3583 3.3583 3.6619 3.6619 4.3081 4.3081 4.6211 4.6211 7.2434 7.2434 8.4663 8.4663 10.5241 10.5241 15.7872 15.7872 19.4083 19.4083 20.2518 20.2518 23.7725 23.7725 k = 0.2396 0.1383 0.3912 ( 921 PWs) bands (ev): -6.2402 -6.2402 3.0667 3.0667 3.3568 3.3568 3.6617 3.6617 4.2981 4.2981 4.6156 4.6156 7.2381 7.2381 8.5079 8.5079 10.5335 10.5335 15.6581 15.6581 19.5552 19.5552 20.3222 20.3222 23.8229 23.8229 k = 0.2344 0.1353 0.3827 ( 921 PWs) bands (ev): -6.2545 -6.2545 3.0739 3.0739 3.3567 3.3567 3.6628 3.6628 4.2882 4.2882 4.6095 4.6095 7.2339 7.2339 8.5481 8.5481 10.5391 10.5391 15.5293 15.5293 19.7044 19.7044 20.3965 20.3965 23.8783 23.8783 k = 0.2292 0.1323 0.3742 ( 921 PWs) bands (ev): -6.2695 -6.2695 3.0825 3.0825 3.3577 3.3577 3.6652 3.6652 4.2785 4.2785 4.6029 4.6029 7.2309 7.2309 8.5869 8.5869 10.5411 10.5411 15.4008 15.4008 19.8558 19.8558 20.4746 20.4746 23.9388 23.9388 k = 0.2240 0.1293 0.3657 ( 921 PWs) bands (ev): -6.2854 -6.2854 3.0924 3.0924 3.3599 3.3599 3.6688 3.6688 4.2689 4.2689 4.5957 4.5957 7.2293 7.2293 8.6243 8.6243 10.5394 10.5394 15.2725 15.2725 20.0091 20.0091 20.5571 20.5571 24.0045 24.0045 k = 0.2188 0.1263 0.3572 ( 925 PWs) bands (ev): -6.3019 -6.3019 3.1034 3.1034 3.3631 3.3631 3.6735 3.6735 4.2596 4.2596 4.5878 4.5878 7.2292 7.2292 8.6604 8.6604 10.5339 10.5339 15.1444 15.1444 20.1640 20.1640 20.6442 20.6442 24.0752 24.0752 k = 0.2135 0.1233 0.3487 ( 921 PWs) bands (ev): -6.3192 -6.3192 3.1158 3.1158 3.3674 3.3674 3.6797 3.6797 4.2503 4.2503 4.5799 4.5799 7.2305 7.2305 8.6949 8.6949 10.5250 10.5250 15.0166 15.0166 20.3199 20.3199 20.7366 20.7366 24.1512 24.1512 k = 0.2083 0.1203 0.3402 ( 921 PWs) bands (ev): -6.3370 -6.3370 3.1292 3.1292 3.3726 3.3726 3.6873 3.6873 4.2414 4.2414 4.5710 4.5710 7.2335 7.2335 8.7280 8.7280 10.5127 10.5127 14.8889 14.8889 20.4758 20.4758 20.8353 20.8353 24.2322 24.2322 k = 0.2031 0.1173 0.3317 ( 921 PWs) bands (ev): -6.3555 -6.3555 3.1437 3.1437 3.3786 3.3786 3.6962 3.6962 4.2326 4.2326 4.5617 4.5617 7.2382 7.2382 8.7596 8.7596 10.4970 10.4970 14.7614 14.7614 20.6302 20.6302 20.9419 20.9419 24.3182 24.3182 k = 0.1979 0.1143 0.3232 ( 923 PWs) bands (ev): -6.3744 -6.3744 3.1590 3.1590 3.3852 3.3852 3.7063 3.7063 4.2242 4.2242 4.5518 4.5518 7.2447 7.2447 8.7898 8.7898 10.4781 10.4781 14.6339 14.6339 20.7811 20.7811 21.0584 21.0584 24.4093 24.4093 k = 0.1927 0.1113 0.3147 ( 923 PWs) bands (ev): -6.3939 -6.3939 3.1751 3.1751 3.3924 3.3924 3.7180 3.7180 4.2160 4.2160 4.5416 4.5416 7.2532 7.2532 8.8186 8.8186 10.4560 10.4560 14.5064 14.5064 20.9259 20.9259 21.1873 21.1873 24.5053 24.5053 k = 0.1875 0.1083 0.3062 ( 927 PWs) bands (ev): -6.4138 -6.4138 3.1918 3.1918 3.4001 3.4001 3.7309 3.7309 4.2083 4.2083 4.5307 4.5307 7.2637 7.2637 8.8460 8.8460 10.4310 10.4310 14.3789 14.3789 21.0632 21.0632 21.3301 21.3301 24.6061 24.6061 k = 0.1823 0.1052 0.2977 ( 927 PWs) bands (ev): -6.4340 -6.4340 3.2091 3.2091 3.4082 3.4082 3.7452 3.7452 4.2009 4.2009 4.5197 4.5197 7.2764 7.2764 8.8721 8.8721 10.4031 10.4031 14.2514 14.2514 21.1939 21.1939 21.4857 21.4857 24.7116 24.7116 k = 0.1771 0.1022 0.2892 ( 927 PWs) bands (ev): -6.4545 -6.4545 3.2269 3.2269 3.4165 3.4165 3.7609 3.7609 4.1939 4.1939 4.5085 4.5085 7.2914 7.2914 8.8967 8.8967 10.3726 10.3726 14.1239 14.1239 21.3204 21.3204 21.6519 21.6519 24.8217 24.8217 k = 0.1719 0.0992 0.2807 ( 925 PWs) bands (ev): -6.4753 -6.4753 3.2451 3.2451 3.4251 3.4251 3.7779 3.7779 4.1874 4.1874 4.4971 4.4971 7.3089 7.3089 8.9201 8.9201 10.3396 10.3396 13.9962 13.9962 21.4451 21.4451 21.8260 21.8260 24.9362 24.9362 k = 0.1667 0.0962 0.2722 ( 929 PWs) bands (ev): -6.4962 -6.4962 3.2633 3.2633 3.4336 3.4336 3.7960 3.7960 4.1813 4.1813 4.4852 4.4852 7.3289 7.3289 8.9421 8.9421 10.3042 10.3042 13.8685 13.8685 21.5699 21.5699 22.0061 22.0061 25.0551 25.0551 k = 0.1615 0.0932 0.2637 ( 929 PWs) bands (ev): -6.5172 -6.5172 3.2818 3.2818 3.4421 3.4421 3.8153 3.8153 4.1757 4.1757 4.4736 4.4736 7.3515 7.3515 8.9629 8.9629 10.2667 10.2667 13.7406 13.7406 21.6958 21.6958 22.1910 22.1910 25.1781 25.1781 k = 0.1562 0.0902 0.2552 ( 929 PWs) bands (ev): -6.5384 -6.5384 3.3002 3.3002 3.4505 3.4505 3.8357 3.8357 4.1705 4.1705 4.4620 4.4620 7.3770 7.3770 8.9824 8.9824 10.2273 10.2273 13.6126 13.6126 21.8235 21.8235 22.3799 22.3799 25.3051 25.3051 k = 0.1510 0.0872 0.2467 ( 929 PWs) bands (ev): -6.5595 -6.5595 3.3186 3.3186 3.4587 3.4587 3.8569 3.8569 4.1659 4.1659 4.4505 4.4505 7.4053 7.4053 9.0007 9.0007 10.1861 10.1861 13.4845 13.4845 21.9536 21.9536 22.5722 22.5722 25.4359 25.4359 k = 0.1458 0.0842 0.2381 ( 929 PWs) bands (ev): -6.5805 -6.5805 3.3367 3.3367 3.4668 3.4668 3.8789 3.8789 4.1618 4.1618 4.4393 4.4393 7.4365 7.4365 9.0178 9.0178 10.1434 10.1434 13.3562 13.3562 22.0860 22.0860 22.7674 22.7674 25.5702 25.5702 k = 0.1406 0.0812 0.2296 ( 925 PWs) bands (ev): -6.6014 -6.6014 3.3546 3.3546 3.4747 3.4747 3.9018 3.9018 4.1581 4.1581 4.4284 4.4284 7.4708 7.4708 9.0338 9.0338 10.0994 10.0994 13.2278 13.2278 22.2212 22.2212 22.9653 22.9653 25.7079 25.7079 k = 0.1354 0.0782 0.2211 ( 923 PWs) bands (ev): -6.6221 -6.6221 3.3720 3.3720 3.4822 3.4822 3.9250 3.9250 4.1550 4.1550 4.4180 4.4180 7.5083 7.5083 9.0487 9.0487 10.0542 10.0542 13.0993 13.0993 22.3589 22.3589 23.1656 23.1656 25.8486 25.8486 k = 0.1302 0.0752 0.2126 ( 923 PWs) bands (ev): -6.6426 -6.6426 3.3889 3.3889 3.4893 3.4893 3.9487 3.9487 4.1523 4.1523 4.4079 4.4079 7.5490 7.5490 9.0626 9.0626 10.0082 10.0082 12.9707 12.9707 22.4993 22.4993 23.3679 23.3679 25.9922 25.9922 k = 0.1250 0.0722 0.2041 ( 923 PWs) bands (ev): -6.6627 -6.6627 3.4051 3.4051 3.4961 3.4961 3.9726 3.9726 4.1501 4.1501 4.3984 4.3984 7.5929 7.5929 9.0754 9.0754 9.9614 9.9614 12.8420 12.8420 22.6422 22.6422 23.5720 23.5720 26.1381 26.1381 k = 0.1198 0.0692 0.1956 ( 921 PWs) bands (ev): -6.6825 -6.6825 3.4207 3.4207 3.5025 3.5025 3.9967 3.9967 4.1483 4.1483 4.3897 4.3897 7.6401 7.6401 9.0873 9.0873 9.9142 9.9142 12.7133 12.7133 22.7876 22.7876 23.7776 23.7776 26.2861 26.2861 k = 0.1146 0.0662 0.1871 ( 919 PWs) bands (ev): -6.7019 -6.7019 3.4355 3.4355 3.5086 3.5086 4.0208 4.0208 4.1469 4.1469 4.3816 4.3816 7.6906 7.6906 9.0983 9.0983 9.8667 9.8667 12.5846 12.5846 22.9355 22.9355 23.9846 23.9846 26.4358 26.4358 k = 0.1094 0.0631 0.1786 ( 919 PWs) bands (ev): -6.7208 -6.7208 3.4494 3.4494 3.5142 3.5142 4.0448 4.0448 4.1457 4.1457 4.3744 4.3744 7.7445 7.7445 9.1084 9.1084 9.8192 9.8192 12.4559 12.4559 23.0854 23.0854 24.1925 24.1925 26.5865 26.5865 k = 0.1042 0.0601 0.1701 ( 923 PWs) bands (ev): -6.7392 -6.7392 3.4623 3.4623 3.5192 3.5192 4.0685 4.0685 4.1447 4.1447 4.3679 4.3679 7.8016 7.8016 9.1176 9.1176 9.7719 9.7719 12.3274 12.3274 23.2374 23.2374 24.4011 24.4011 26.7376 26.7376 k = 0.0990 0.0571 0.1616 ( 923 PWs) bands (ev): -6.7570 -6.7570 3.4744 3.4744 3.5240 3.5240 4.0919 4.0919 4.1441 4.1441 4.3625 4.3625 7.8620 7.8620 9.1261 9.1261 9.7250 9.7250 12.1991 12.1991 23.3912 23.3912 24.6101 24.6101 26.8881 26.8881 k = 0.0938 0.0541 0.1531 ( 923 PWs) bands (ev): -6.7742 -6.7742 3.4854 3.4854 3.5284 3.5284 4.1146 4.1146 4.1439 4.1439 4.3580 4.3580 7.9256 7.9256 9.1339 9.1339 9.6788 9.6788 12.0712 12.0712 23.5464 23.5464 24.8190 24.8190 27.0366 27.0366 k = 0.0885 0.0511 0.1446 ( 925 PWs) bands (ev): -6.7907 -6.7907 3.4955 3.4955 3.5324 3.5324 4.1347 4.1347 4.1459 4.1459 4.3545 4.3545 7.9923 7.9923 9.1409 9.1409 9.6335 9.6335 11.9436 11.9436 23.7028 23.7028 25.0276 25.0276 27.1808 27.1808 k = 0.0833 0.0481 0.1361 ( 925 PWs) bands (ev): -6.8065 -6.8065 3.5046 3.5046 3.5360 3.5360 4.1403 4.1403 4.1618 4.1618 4.3519 4.3519 8.0621 8.0621 9.1472 9.1472 9.5893 9.5893 11.8166 11.8166 23.8598 23.8598 25.2353 25.2353 27.3167 27.3167 k = 0.0781 0.0451 0.1276 ( 929 PWs) bands (ev): -6.8216 -6.8216 3.5127 3.5127 3.5391 3.5391 4.1404 4.1404 4.1825 4.1825 4.3499 4.3499 8.1347 8.1347 9.1529 9.1529 9.5465 9.5465 11.6902 11.6902 24.0170 24.0170 25.4417 25.4417 27.4366 27.4366 k = 0.0729 0.0421 0.1191 ( 925 PWs) bands (ev): -6.8358 -6.8358 3.5200 3.5200 3.5421 3.5421 4.1401 4.1401 4.2031 4.2031 4.3491 4.3491 8.2101 8.2101 9.1581 9.1581 9.5052 9.5052 11.5647 11.5647 24.1738 24.1738 25.6464 25.6464 27.5282 27.5282 k = 0.0677 0.0391 0.1106 ( 925 PWs) bands (ev): -6.8493 -6.8493 3.5264 3.5264 3.5447 3.5447 4.1396 4.1396 4.2229 4.2229 4.3489 4.3489 8.2879 8.2879 9.1626 9.1626 9.4657 9.4657 11.4402 11.4402 24.3294 24.3294 25.8487 25.8487 27.5807 27.5807 k = 0.0625 0.0361 0.1021 ( 925 PWs) bands (ev): -6.8619 -6.8619 3.5319 3.5319 3.5469 3.5469 4.1390 4.1390 4.2419 4.2419 4.3493 4.3493 8.3680 8.3680 9.1666 9.1666 9.4282 9.4282 11.3171 11.3171 24.4830 24.4830 26.0479 26.0479 27.6006 27.6006 k = 0.0573 0.0331 0.0936 ( 925 PWs) bands (ev): -6.8736 -6.8736 3.5367 3.5367 3.5488 3.5488 4.1384 4.1384 4.2598 4.2598 4.3501 4.3501 8.4500 8.4500 9.1701 9.1701 9.3930 9.3930 11.1955 11.1955 24.6334 24.6334 26.2434 26.2434 27.6049 27.6049 k = 0.0521 0.0301 0.0851 ( 929 PWs) bands (ev): -6.8844 -6.8844 3.5406 3.5406 3.5504 3.5504 4.1378 4.1378 4.2764 4.2764 4.3512 4.3512 8.5336 8.5336 9.1731 9.1731 9.3601 9.3601 11.0759 11.0759 24.7794 24.7794 26.4343 26.4343 27.6058 27.6058 k = 0.0469 0.0271 0.0765 ( 929 PWs) bands (ev): -6.8942 -6.8942 3.5440 3.5440 3.5518 3.5518 4.1372 4.1372 4.2920 4.2920 4.3527 4.3527 8.6182 8.6182 9.1756 9.1756 9.3301 9.3301 10.9587 10.9587 24.9195 24.9195 26.6199 26.6199 27.6100 27.6100 k = 0.0417 0.0241 0.0680 ( 929 PWs) bands (ev): -6.9031 -6.9031 3.5469 3.5469 3.5529 3.5529 4.1367 4.1367 4.3062 4.3062 4.3543 4.3543 8.7031 8.7031 9.1775 9.1775 9.3029 9.3029 10.8446 10.8446 25.0518 25.0518 26.7991 26.7991 27.6212 27.6212 k = 0.0365 0.0210 0.0595 ( 933 PWs) bands (ev): -6.9110 -6.9110 3.5492 3.5492 3.5537 3.5537 4.1361 4.1361 4.3189 4.3189 4.3558 4.3558 8.7874 8.7874 9.1789 9.1789 9.2789 9.2789 10.7344 10.7344 25.1746 25.1746 26.9709 26.9709 27.6409 27.6409 k = 0.0312 0.0180 0.0510 ( 937 PWs) bands (ev): -6.9178 -6.9178 3.5511 3.5511 3.5544 3.5544 4.1357 4.1357 4.3300 4.3300 4.3573 4.3573 8.8698 8.8698 9.1797 9.1797 9.2585 9.2585 10.6292 10.6292 25.2858 25.2858 27.1345 27.1345 27.6694 27.6694 k = 0.0260 0.0150 0.0425 ( 941 PWs) bands (ev): -6.9237 -6.9237 3.5526 3.5526 3.5548 3.5548 4.1352 4.1352 4.3396 4.3396 4.3586 4.3586 8.9485 8.9485 9.1799 9.1799 9.2418 9.2418 10.5308 10.5308 25.3835 25.3835 27.2888 27.2888 27.7051 27.7051 k = 0.0208 0.0120 0.0340 ( 941 PWs) bands (ev): -6.9285 -6.9285 3.5539 3.5539 3.5553 3.5553 4.1349 4.1349 4.3477 4.3477 4.3599 4.3599 9.0207 9.0207 9.1801 9.1801 9.2292 9.2292 10.4415 10.4415 25.4657 25.4657 27.4332 27.4332 27.7433 27.7433 k = 0.0156 0.0090 0.0255 ( 941 PWs) bands (ev): -6.9322 -6.9322 3.5548 3.5548 3.5556 3.5556 4.1347 4.1347 4.3541 4.3541 4.3609 4.3609 9.0816 9.0816 9.1819 9.1819 9.2205 9.2205 10.3643 10.3643 25.5310 25.5310 27.5663 27.5663 27.7764 27.7764 k = 0.0104 0.0060 0.0170 ( 941 PWs) bands (ev): -6.9349 -6.9349 3.5554 3.5554 3.5558 3.5558 4.1345 4.1345 4.3586 4.3586 4.3617 4.3617 9.1232 9.1232 9.1896 9.1896 9.2152 9.2152 10.3037 10.3037 25.5783 25.5783 27.6839 27.6839 27.7975 27.7975 k = 0.0052 0.0030 0.0085 ( 941 PWs) bands (ev): -6.9365 -6.9365 3.5558 3.5558 3.5559 3.5559 4.1344 4.1344 4.3614 4.3614 4.3622 4.3622 9.1408 9.1408 9.2041 9.2041 9.2125 9.2125 10.2644 10.2644 25.6069 25.6069 27.7737 27.7737 27.8071 27.8071 k = 0.0000 0.0000 0.0000 ( 941 PWs) bands (ev): -6.9370 -6.9370 3.5559 3.5559 3.5559 3.5559 4.1344 4.1344 4.3623 4.3623 4.3623 4.3623 9.1445 9.1445 9.2116 9.2116 9.2116 9.2116 10.2507 10.2507 25.6165 25.6165 27.8097 27.8097 27.8097 27.8098 k = 0.0000 0.0000 0.0000 ( 941 PWs) bands (ev): -6.9370 -6.9370 3.5559 3.5559 3.5559 3.5559 4.1344 4.1344 4.3623 4.3623 4.3623 4.3623 9.1445 9.1445 9.2116 9.2116 9.2116 9.2116 10.2507 10.2507 25.6165 25.6165 27.8097 27.8097 27.8097 27.8097 k = 0.0085 0.0049 0.0035 ( 941 PWs) bands (ev): -6.9365 -6.9365 3.5558 3.5558 3.5559 3.5559 4.1344 4.1344 4.3616 4.3616 4.3620 4.3620 9.1408 9.1408 9.2040 9.2040 9.2127 9.2127 10.2643 10.2643 25.6070 25.6070 27.7763 27.7763 27.8049 27.8050 k = 0.0169 0.0098 0.0069 ( 941 PWs) bands (ev): -6.9349 -6.9349 3.5554 3.5554 3.5558 3.5558 4.1345 4.1345 4.3592 4.3592 4.3612 4.3612 9.1221 9.1221 9.1904 9.1904 9.2160 9.2160 10.3032 10.3032 25.5783 25.5783 27.6949 27.6949 27.7906 27.7906 k = 0.0254 0.0147 0.0104 ( 941 PWs) bands (ev): -6.9322 -6.9322 3.5548 3.5548 3.5556 3.5556 4.1347 4.1347 4.3553 4.3553 4.3598 4.3598 9.0776 9.0776 9.1860 9.1860 9.2214 9.2214 10.3632 10.3632 25.5304 25.5304 27.5936 27.5936 27.7666 27.7666 k = 0.0339 0.0196 0.0138 ( 941 PWs) bands (ev): -6.9285 -6.9285 3.5538 3.5538 3.5553 3.5553 4.1349 4.1349 4.3498 4.3498 4.3578 4.3578 9.0131 9.0131 9.1900 9.1900 9.2289 9.2289 10.4391 10.4391 25.4631 25.4631 27.4879 27.4879 27.7329 27.7329 k = 0.0424 0.0245 0.0173 ( 941 PWs) bands (ev): -6.9238 -6.9238 3.5526 3.5526 3.5549 3.5549 4.1352 4.1352 4.3429 4.3429 4.3554 4.3554 8.9367 8.9367 9.1986 9.1986 9.2386 9.2386 10.5268 10.5268 25.3766 25.3766 27.3848 27.3848 27.6896 27.6896 k = 0.0508 0.0294 0.0208 ( 935 PWs) bands (ev): -6.9179 -6.9179 3.5511 3.5511 3.5545 3.5545 4.1357 4.1357 4.3348 4.3348 4.3528 4.3528 8.8530 8.8530 9.2103 9.2103 9.2503 9.2503 10.6230 10.6230 25.2716 25.2716 27.2870 27.2870 27.6367 27.6367 k = 0.0593 0.0342 0.0242 ( 929 PWs) bands (ev): -6.9111 -6.9111 3.5492 3.5492 3.5538 3.5538 4.1361 4.1361 4.3252 4.3252 4.3499 4.3499 8.7649 8.7649 9.2246 9.2246 9.2641 9.2641 10.7254 10.7254 25.1493 25.1493 27.1945 27.1945 27.5745 27.5745 k = 0.0678 0.0391 0.0277 ( 929 PWs) bands (ev): -6.9033 -6.9033 3.5469 3.5469 3.5527 3.5527 4.1366 4.1366 4.3142 4.3142 4.3465 4.3465 8.6742 8.6742 9.2412 9.2412 9.2798 9.2798 10.8323 10.8323 25.0114 25.0114 27.1054 27.1054 27.5032 27.5032 k = 0.0763 0.0440 0.0311 ( 929 PWs) bands (ev): -6.8944 -6.8944 3.5441 3.5441 3.5514 3.5514 4.1371 4.1371 4.3019 4.3019 4.3428 4.3428 8.5822 8.5822 9.2599 9.2599 9.2974 9.2974 10.9426 10.9426 24.8598 24.8598 27.0172 27.0172 27.4233 27.4233 k = 0.0847 0.0489 0.0346 ( 929 PWs) bands (ev): -6.8846 -6.8846 3.5407 3.5407 3.5496 3.5496 4.1376 4.1376 4.2885 4.2885 4.3390 4.3390 8.4898 8.4898 9.2807 9.2807 9.3168 9.3168 11.0554 11.0554 24.6966 24.6966 26.9267 26.9267 27.3353 27.3353 k = 0.0932 0.0538 0.0381 ( 923 PWs) bands (ev): -6.8738 -6.8738 3.5370 3.5370 3.5475 3.5475 4.1381 4.1381 4.2745 4.2745 4.3355 4.3355 8.3977 8.3977 9.3034 9.3034 9.3381 9.3381 11.1702 11.1702 24.5239 24.5239 26.8314 26.8314 27.2400 27.2400 k = 0.1017 0.0587 0.0415 ( 923 PWs) bands (ev): -6.8621 -6.8621 3.5326 3.5326 3.5448 3.5448 4.1383 4.1383 4.2594 4.2594 4.3318 4.3318 8.3064 8.3064 9.3279 9.3279 9.3609 9.3609 11.2864 11.2864 24.3434 24.3434 26.7297 26.7297 27.1381 27.1381 k = 0.1102 0.0636 0.0450 ( 923 PWs) bands (ev): -6.8495 -6.8495 3.5275 3.5275 3.5415 3.5415 4.1381 4.1381 4.2439 4.2439 4.3283 4.3283 8.2163 8.2163 9.3541 9.3541 9.3854 9.3854 11.4036 11.4036 24.1569 24.1569 26.6214 26.6214 27.0302 27.0302 k = 0.1186 0.0685 0.0484 ( 926 PWs) bands (ev): -6.8359 -6.8359 3.5216 3.5216 3.5374 3.5374 4.1371 4.1371 4.2282 4.2282 4.3250 4.3250 8.1278 8.1278 9.3818 9.3818 9.4113 9.4113 11.5216 11.5216 23.9656 23.9656 26.5069 26.5069 26.9172 26.9172 k = 0.1271 0.0734 0.0519 ( 920 PWs) bands (ev): -6.8216 -6.8216 3.5153 3.5153 3.5327 3.5327 4.1349 4.1349 4.2137 4.2137 4.3224 4.3224 8.0411 8.0411 9.4112 9.4112 9.4388 9.4388 11.6401 11.6401 23.7709 23.7709 26.3871 26.3871 26.7999 26.7999 k = 0.1356 0.0783 0.0554 ( 917 PWs) bands (ev): -6.8064 -6.8064 3.5080 3.5080 3.5274 3.5274 4.1299 4.1299 4.2012 4.2012 4.3200 4.3200 7.9566 7.9566 9.4419 9.4419 9.4675 9.4675 11.7589 11.7589 23.5738 23.5738 26.2631 26.2631 26.6788 26.6788 k = 0.1441 0.0832 0.0588 ( 917 PWs) bands (ev): -6.7904 -6.7904 3.4999 3.4999 3.5209 3.5209 4.1209 4.1209 4.1921 4.1921 4.3182 4.3182 7.8744 7.8744 9.4738 9.4738 9.4974 9.4974 11.8777 11.8777 23.3751 23.3751 26.1357 26.1357 26.5548 26.5548 k = 0.1525 0.0881 0.0623 ( 917 PWs) bands (ev): -6.7737 -6.7737 3.4910 3.4910 3.5134 3.5134 4.1075 4.1075 4.1870 4.1870 4.3170 4.3170 7.7947 7.7947 9.5070 9.5070 9.5284 9.5284 11.9963 11.9963 23.1755 23.1755 26.0058 26.0058 26.4284 26.4284 k = 0.1610 0.0930 0.0657 ( 917 PWs) bands (ev): -6.7562 -6.7562 3.4813 3.4813 3.5048 3.5048 4.0903 4.0903 4.1854 4.1854 4.3164 4.3164 7.7177 7.7177 9.5412 9.5412 9.5605 9.5605 12.1148 12.1148 22.9757 22.9757 25.8741 25.8741 26.3001 26.3001 k = 0.1695 0.0979 0.0692 ( 917 PWs) bands (ev): -6.7381 -6.7381 3.4708 3.4708 3.4952 3.4952 4.0705 4.0705 4.1863 4.1863 4.3166 4.3166 7.6435 7.6435 9.5763 9.5763 9.5935 9.5935 12.2327 12.2327 22.7762 22.7762 25.7413 25.7413 26.1706 26.1706 k = 0.1780 0.1027 0.0727 ( 917 PWs) bands (ev): -6.7193 -6.7193 3.4595 3.4595 3.4843 3.4843 4.0489 4.0489 4.1888 4.1888 4.3175 4.3175 7.5723 7.5723 9.6122 9.6122 9.6272 9.6272 12.3501 12.3501 22.5775 22.5775 25.6078 25.6078 26.0402 26.0402 k = 0.1864 0.1076 0.0761 ( 917 PWs) bands (ev): -6.6999 -6.6999 3.4474 3.4474 3.4722 3.4722 4.0261 4.0261 4.1925 4.1925 4.3191 4.3191 7.5042 7.5042 9.6489 9.6489 9.6618 9.6618 12.4668 12.4668 22.3801 22.3801 25.4742 25.4742 25.9095 25.9095 k = 0.1949 0.1125 0.0796 ( 917 PWs) bands (ev): -6.6800 -6.6800 3.4346 3.4346 3.4588 3.4588 4.0023 4.0023 4.1971 4.1971 4.3215 4.3215 7.4393 7.4393 9.6862 9.6862 9.6969 9.6969 12.5827 12.5827 22.1843 22.1843 25.3409 25.3409 25.7788 25.7788 k = 0.2034 0.1174 0.0830 ( 920 PWs) bands (ev): -6.6596 -6.6596 3.4211 3.4211 3.4439 3.4439 3.9778 3.9778 4.2025 4.2025 4.3247 4.3247 7.3776 7.3776 9.7240 9.7240 9.7325 9.7325 12.6975 12.6975 21.9904 21.9904 25.2081 25.2081 25.6485 25.6485 k = 0.2119 0.1223 0.0865 ( 920 PWs) bands (ev): -6.6388 -6.6388 3.4070 3.4070 3.4280 3.4280 3.9528 3.9528 4.2086 4.2086 4.3286 4.3286 7.3192 7.3192 9.7622 9.7622 9.7686 9.7686 12.8112 12.8112 21.7988 21.7988 25.0763 25.0763 25.5189 25.5189 k = 0.2203 0.1272 0.0900 ( 920 PWs) bands (ev): -6.6175 -6.6175 3.3924 3.3924 3.4108 3.4108 3.9274 3.9274 4.2153 4.2153 4.3332 4.3332 7.2642 7.2642 9.8007 9.8007 9.8049 9.8049 12.9236 12.9236 21.6098 21.6098 24.9458 24.9458 25.3904 25.3904 k = 0.2288 0.1321 0.0934 ( 926 PWs) bands (ev): -6.5960 -6.5960 3.3772 3.3772 3.3921 3.3921 3.9016 3.9016 4.2224 4.2224 4.3383 4.3383 7.2125 7.2125 9.8394 9.8394 9.8415 9.8415 13.0346 13.0346 21.4236 21.4236 24.8168 24.8168 25.2632 25.2632 k = 0.2373 0.1370 0.0969 ( 926 PWs) bands (ev): -6.5741 -6.5741 3.3616 3.3616 3.3725 3.3725 3.8756 3.8756 4.2302 4.2302 4.3443 4.3443 7.1643 7.1643 9.8782 9.8782 9.8782 9.8782 13.1442 13.1442 21.2405 21.2405 24.6895 24.6895 25.1375 25.1375 k = 0.2458 0.1419 0.1003 ( 932 PWs) bands (ev): -6.5520 -6.5520 3.3456 3.3456 3.3517 3.3517 3.8494 3.8494 4.2381 4.2381 4.3505 4.3505 7.1194 7.1194 9.9148 9.9148 9.9169 9.9169 13.2520 13.2520 21.0608 21.0608 24.5641 24.5641 25.0137 25.0137 k = 0.2542 0.1468 0.1038 ( 932 PWs) bands (ev): -6.5297 -6.5297 3.3294 3.3294 3.3298 3.3298 3.8232 3.8232 4.2467 4.2467 4.3576 4.3576 7.0779 7.0779 9.9515 9.9515 9.9555 9.9555 13.3581 13.3581 20.8846 20.8846 24.4410 24.4410 24.8920 24.8920 k = 0.2627 0.1517 0.1073 ( 929 PWs) bands (ev): -6.5074 -6.5074 3.3069 3.3069 3.3131 3.3131 3.7971 3.7971 4.2559 4.2559 4.3652 4.3652 7.0397 7.0397 9.9879 9.9879 9.9940 9.9940 13.4623 13.4623 20.7123 20.7123 24.3203 24.3203 24.7725 24.7725 k = 0.2712 0.1566 0.1107 ( 932 PWs) bands (ev): -6.4849 -6.4849 3.2830 3.2830 3.2966 3.2966 3.7711 3.7711 4.2650 4.2650 4.3730 4.3730 7.0046 7.0046 10.0241 10.0241 10.0320 10.0320 13.5643 13.5643 20.5439 20.5439 24.2022 24.2022 24.6555 24.6555 k = 0.2797 0.1615 0.1142 ( 932 PWs) bands (ev): -6.4625 -6.4625 3.2583 3.2583 3.2800 3.2800 3.7454 3.7454 4.2745 4.2745 4.3812 4.3812 6.9727 6.9727 10.0599 10.0599 10.0697 10.0697 13.6642 13.6642 20.3798 20.3798 24.0868 24.0868 24.5411 24.5411 k = 0.2881 0.1664 0.1176 ( 932 PWs) bands (ev): -6.4402 -6.4402 3.2330 3.2330 3.2635 3.2635 3.7200 3.7200 4.2841 4.2841 4.3897 4.3897 6.9439 6.9439 10.0952 10.0952 10.1069 10.1069 13.7617 13.7617 20.2200 20.2200 23.9744 23.9744 24.4296 24.4296 k = 0.2966 0.1712 0.1211 ( 932 PWs) bands (ev): -6.4181 -6.4181 3.2069 3.2069 3.2471 3.2471 3.6950 3.6950 4.2940 4.2940 4.3984 4.3984 6.9179 6.9179 10.1300 10.1300 10.1434 10.1434 13.8567 13.8567 20.0649 20.0649 23.8650 23.8650 24.3211 24.3211 k = 0.3051 0.1761 0.1246 ( 926 PWs) bands (ev): -6.3961 -6.3961 3.1807 3.1807 3.2309 3.2309 3.6706 3.6706 4.3040 4.3040 4.4075 4.4075 6.8947 6.8947 10.1642 10.1642 10.1793 10.1793 13.9491 13.9491 19.9147 19.9147 23.7589 23.7589 24.2157 24.2157 k = 0.3136 0.1810 0.1280 ( 926 PWs) bands (ev): -6.3744 -6.3744 3.1537 3.1537 3.2150 3.2150 3.6467 3.6467 4.3140 4.3140 4.4165 4.4165 6.8741 6.8741 10.1976 10.1976 10.2144 10.2144 14.0387 14.0387 19.7694 19.7694 23.6561 23.6561 24.1137 24.1137 k = 0.3220 0.1859 0.1315 ( 926 PWs) bands (ev): -6.3531 -6.3531 3.1264 3.1264 3.1993 3.1993 3.6235 3.6235 4.3240 4.3240 4.4256 4.4256 6.8559 6.8559 10.2303 10.2303 10.2487 10.2487 14.1254 14.1254 19.6292 19.6292 23.5569 23.5569 24.0151 24.0151 k = 0.3305 0.1908 0.1349 ( 926 PWs) bands (ev): -6.3322 -6.3322 3.0991 3.0991 3.1839 3.1839 3.6010 3.6010 4.3339 4.3339 4.4347 4.4347 6.8401 6.8401 10.2620 10.2620 10.2819 10.2819 14.2090 14.2090 19.4944 19.4944 23.4613 23.4613 23.9202 23.9202 k = 0.3390 0.1957 0.1384 ( 926 PWs) bands (ev): -6.3117 -6.3117 3.0718 3.0718 3.1690 3.1690 3.5794 3.5794 4.3437 4.3437 4.4438 4.4438 6.8264 6.8264 10.2928 10.2928 10.3142 10.3142 14.2894 14.2894 19.3650 19.3650 23.3696 23.3696 23.8290 23.8290 k = 0.3475 0.2006 0.1418 ( 926 PWs) bands (ev): -6.2919 -6.2919 3.0447 3.0447 3.1546 3.1546 3.5585 3.5585 4.3534 4.3534 4.4527 4.4527 6.8147 6.8147 10.3225 10.3225 10.3453 10.3453 14.3665 14.3665 19.2414 19.2414 23.2817 23.2817 23.7416 23.7416 k = 0.3559 0.2055 0.1453 ( 926 PWs) bands (ev): -6.2726 -6.2726 3.0180 3.0180 3.1407 3.1407 3.5387 3.5387 4.3628 4.3628 4.4614 4.4614 6.8048 6.8048 10.3512 10.3512 10.3753 10.3753 14.4401 14.4401 19.1236 19.1236 23.1979 23.1979 23.6582 23.6582 k = 0.3644 0.2104 0.1488 ( 926 PWs) bands (ev): -6.2540 -6.2540 2.9918 2.9918 3.1273 3.1273 3.5197 3.5197 4.3720 4.3720 4.4700 4.4700 6.7966 6.7966 10.3786 10.3786 10.4039 10.4039 14.5102 14.5102 19.0117 19.0117 23.1182 23.1182 23.5790 23.5790 k = 0.3729 0.2153 0.1522 ( 926 PWs) bands (ev): -6.2362 -6.2362 2.9663 2.9663 3.1145 3.1145 3.5018 3.5018 4.3808 4.3808 4.4782 4.4782 6.7898 6.7898 10.4047 10.4047 10.4313 10.4313 14.5765 14.5765 18.9060 18.9060 23.0427 23.0427 23.5039 23.5039 k = 0.3814 0.2202 0.1557 ( 932 PWs) bands (ev): -6.2192 -6.2192 2.9413 2.9413 3.1024 3.1024 3.4849 3.4849 4.3892 4.3892 4.4860 4.4860 6.7842 6.7842 10.4295 10.4295 10.4572 10.4572 14.6390 14.6390 18.8065 18.8065 22.9716 22.9716 23.4332 23.4332 k = 0.3898 0.2251 0.1591 ( 932 PWs) bands (ev): -6.2031 -6.2031 2.9176 2.9176 3.0910 3.0910 3.4691 3.4691 4.3973 4.3973 4.4936 4.4936 6.7800 6.7800 10.4529 10.4529 10.4817 10.4817 14.6976 14.6976 18.7134 18.7134 22.9049 22.9049 23.3669 23.3669 k = 0.3983 0.2300 0.1626 ( 932 PWs) bands (ev): -6.1879 -6.1879 2.8950 2.8950 3.0802 3.0802 3.4543 3.4543 4.4050 4.4050 4.5009 4.5009 6.7767 6.7767 10.4749 10.4749 10.5046 10.5046 14.7521 14.7521 18.6268 18.6268 22.8428 22.8428 23.3051 23.3051 k = 0.4068 0.2349 0.1661 ( 929 PWs) bands (ev): -6.1737 -6.1737 2.8737 2.8737 3.0703 3.0703 3.4408 3.4408 4.4123 4.4123 4.5077 4.5077 6.7743 6.7743 10.4954 10.4954 10.5259 10.5259 14.8025 14.8025 18.5469 18.5469 22.7854 22.7854 23.2480 23.2480 k = 0.4153 0.2397 0.1695 ( 932 PWs) bands (ev): -6.1605 -6.1605 2.8537 2.8537 3.0610 3.0610 3.4282 3.4282 4.4190 4.4190 4.5140 4.5140 6.7726 6.7726 10.5141 10.5141 10.5455 10.5455 14.8488 14.8488 18.4737 18.4737 22.7326 22.7326 23.1954 23.1954 k = 0.4237 0.2446 0.1730 ( 932 PWs) bands (ev): -6.1484 -6.1484 2.8353 2.8353 3.0526 3.0526 3.4169 3.4169 4.4251 4.4251 4.5198 4.5198 6.7714 6.7714 10.5313 10.5313 10.5635 10.5635 14.8908 14.8908 18.4072 18.4072 22.6846 22.6846 23.1477 23.1477 k = 0.4322 0.2495 0.1764 ( 932 PWs) bands (ev): -6.1375 -6.1375 2.8185 2.8185 3.0450 3.0450 3.4067 3.4067 4.4307 4.4307 4.5251 4.5251 6.7708 6.7708 10.5468 10.5468 10.5797 10.5797 14.9284 14.9284 18.3476 18.3476 22.6415 22.6415 23.1048 23.1048 k = 0.4407 0.2544 0.1799 ( 932 PWs) bands (ev): -6.1277 -6.1277 2.8035 2.8035 3.0383 3.0383 3.3977 3.3977 4.4357 4.4357 4.5298 4.5298 6.7705 6.7705 10.5607 10.5607 10.5941 10.5941 14.9617 14.9617 18.2949 18.2949 22.6033 22.6033 23.0668 23.0668 k = 0.4492 0.2593 0.1834 ( 932 PWs) bands (ev): -6.1192 -6.1192 2.7902 2.7902 3.0324 3.0324 3.3899 3.3899 4.4401 4.4401 4.5339 4.5339 6.7704 6.7704 10.5727 10.5727 10.6066 10.6066 14.9907 14.9907 18.2491 18.2491 22.5701 22.5701 23.0338 23.0338 k = 0.4576 0.2642 0.1868 ( 936 PWs) bands (ev): -6.1119 -6.1119 2.7786 2.7786 3.0274 3.0274 3.3833 3.3833 4.4438 4.4438 4.5374 4.5374 6.7703 6.7703 10.5830 10.5830 10.6173 10.6173 15.0151 15.0151 18.2103 18.2103 22.5419 22.5419 23.0057 23.0057 k = 0.4661 0.2691 0.1903 ( 930 PWs) bands (ev): -6.1059 -6.1059 2.7693 2.7693 3.0234 3.0234 3.3779 3.3779 4.4472 4.4472 4.5405 4.5405 6.7705 6.7705 10.5914 10.5914 10.6262 10.6262 15.0352 15.0352 18.1786 18.1786 22.5188 22.5188 22.9827 22.9827 k = 0.4746 0.2740 0.1937 ( 930 PWs) bands (ev): -6.1012 -6.1012 2.7620 2.7620 3.0202 3.0202 3.3737 3.3737 4.4496 4.4496 4.5428 4.5428 6.7708 6.7708 10.5980 10.5980 10.6330 10.6330 15.0508 15.0508 18.1539 18.1539 22.5008 22.5008 22.9648 22.9648 k = 0.4831 0.2789 0.1972 ( 918 PWs) bands (ev): -6.0978 -6.0978 2.7567 2.7567 3.0182 3.0182 3.3709 3.3709 4.4518 4.4518 4.5449 4.5449 6.7709 6.7709 10.6030 10.6030 10.6382 10.6382 15.0620 15.0620 18.1363 18.1363 22.4879 22.4879 22.9520 22.9520 k = 0.4915 0.2838 0.2007 ( 912 PWs) bands (ev): -6.0958 -6.0958 2.7537 2.7537 3.0168 3.0168 3.3692 3.3692 4.4530 4.4530 4.5462 4.5462 6.7712 6.7712 10.6058 10.6058 10.6411 10.6411 15.0687 15.0687 18.1258 18.1258 22.4801 22.4801 22.9443 22.9443 k = 0.5000 0.2887 0.2041 ( 912 PWs) bands (ev): -6.0951 -6.0951 2.7526 2.7526 3.0164 3.0164 3.3686 3.3686 4.4534 4.4534 4.5465 4.5465 6.7712 6.7712 10.6067 10.6067 10.6421 10.6421 15.0709 15.0709 18.1223 18.1223 22.4776 22.4776 22.9417 22.9417 k = 0.5000 0.2887 0.2041 ( 912 PWs) bands (ev): -6.0951 -6.0951 2.7526 2.7526 3.0164 3.0164 3.3686 3.3686 4.4534 4.4534 4.5465 4.5465 6.7712 6.7712 10.6067 10.6067 10.6421 10.6421 15.0709 15.0709 18.1223 18.1223 22.4776 22.4776 22.9417 22.9417 k = 0.5030 0.2801 0.2090 ( 912 PWs) bands (ev): -6.0951 -6.0951 2.7534 2.7534 3.0169 3.0169 3.3692 3.3692 4.4533 4.4533 4.5465 4.5465 6.7714 6.7714 10.6039 10.6039 10.6395 10.6395 15.0757 15.0757 18.1211 18.1211 22.4747 22.4747 22.9384 22.9384 k = 0.5060 0.2715 0.2138 ( 914 PWs) bands (ev): -6.0953 -6.0953 2.7559 2.7559 3.0184 3.0184 3.3711 3.3711 4.4529 4.4529 4.5463 4.5463 6.7718 6.7718 10.5947 10.5947 10.6326 10.6326 15.0901 15.0901 18.1176 18.1176 22.4659 22.4659 22.9292 22.9292 k = 0.5089 0.2629 0.2187 ( 920 PWs) bands (ev): -6.0956 -6.0956 2.7600 2.7600 3.0210 3.0210 3.3742 3.3742 4.4522 4.4522 4.5460 4.5460 6.7725 6.7725 10.5771 10.5771 10.6233 10.6233 15.1138 15.1138 18.1117 18.1117 22.4499 22.4499 22.9158 22.9158 k = 0.5119 0.2543 0.2236 ( 928 PWs) bands (ev): -6.0960 -6.0960 2.7657 2.7657 3.0245 3.0245 3.3786 3.3786 4.4513 4.4513 4.5456 4.5456 6.7734 6.7734 10.5505 10.5505 10.6128 10.6128 15.1467 15.1467 18.1035 18.1035 22.4249 22.4249 22.9006 22.9006 k = 0.5149 0.2457 0.2284 ( 930 PWs) bands (ev): -6.0964 -6.0964 2.7730 2.7730 3.0292 3.0292 3.3843 3.3843 4.4505 4.4505 4.5454 4.5454 6.7747 6.7747 10.5150 10.5150 10.6014 10.6014 15.1884 15.1884 18.0931 18.0931 22.3892 22.3892 22.8866 22.8866 k = 0.5179 0.2371 0.2333 ( 930 PWs) bands (ev): -6.0970 -6.0970 2.7819 2.7819 3.0350 3.0350 3.3913 3.3913 4.4495 4.4495 4.5454 4.5454 6.7763 6.7763 10.4716 10.4716 10.5885 10.5885 15.2383 15.2383 18.0803 18.0803 22.3413 22.3413 22.8763 22.8763 k = 0.5208 0.2285 0.2381 ( 933 PWs) bands (ev): -6.0977 -6.0977 2.7922 2.7922 3.0418 3.0418 3.3995 3.3995 4.4482 4.4482 4.5452 4.5452 6.7783 6.7783 10.4210 10.4210 10.5738 10.5738 15.2960 15.2960 18.0653 18.0653 22.2808 22.2808 22.8714 22.8714 k = 0.5238 0.2199 0.2430 ( 929 PWs) bands (ev): -6.0985 -6.0985 2.8040 2.8040 3.0498 3.0498 3.4090 3.4090 4.4471 4.4471 4.5455 4.5455 6.7806 6.7806 10.3637 10.3637 10.5574 10.5574 15.3610 15.3610 18.0480 18.0480 22.2086 22.2086 22.8723 22.8723 k = 0.5268 0.2114 0.2479 ( 929 PWs) bands (ev): -6.0993 -6.0993 2.8170 2.8170 3.0589 3.0589 3.4196 3.4196 4.4457 4.4457 4.5458 4.5458 6.7834 6.7834 10.3005 10.3005 10.5392 10.5392 15.4328 15.4328 18.0285 18.0285 22.1260 22.1260 22.8788 22.8788 k = 0.5298 0.2028 0.2527 ( 929 PWs) bands (ev): -6.1003 -6.1003 2.8312 2.8312 3.0690 3.0690 3.4314 3.4314 4.4441 4.4441 4.5462 4.5462 6.7865 6.7865 10.2318 10.2318 10.5191 10.5191 15.5107 15.5107 18.0068 18.0068 22.0348 22.0348 22.8904 22.8904 k = 0.5327 0.1942 0.2576 ( 929 PWs) bands (ev): -6.1013 -6.1013 2.8466 2.8466 3.0802 3.0802 3.4443 3.4443 4.4424 4.4424 4.5469 4.5469 6.7901 6.7901 10.1583 10.1583 10.4972 10.4972 15.5941 15.5941 17.9830 17.9830 21.9367 21.9367 22.9062 22.9062 k = 0.5357 0.1856 0.2624 ( 929 PWs) bands (ev): -6.1024 -6.1024 2.8629 2.8629 3.0926 3.0926 3.4583 3.4583 4.4407 4.4407 4.5478 4.5478 6.7942 6.7942 10.0803 10.0803 10.4734 10.4734 15.6827 15.6827 17.9570 17.9570 21.8335 21.8335 22.9257 22.9257 k = 0.5387 0.1770 0.2673 ( 930 PWs) bands (ev): -6.1036 -6.1036 2.8800 2.8800 3.1061 3.1061 3.4734 3.4734 4.4388 4.4388 4.5490 4.5490 6.7988 6.7988 9.9985 9.9985 10.4481 10.4481 15.7757 15.7757 17.9291 17.9291 21.7264 21.7264 22.9483 22.9483 k = 0.5417 0.1684 0.2722 ( 930 PWs) bands (ev): -6.1049 -6.1049 2.8977 2.8977 3.1209 3.1209 3.4894 3.4894 4.4370 4.4370 4.5505 4.5505 6.8040 6.8040 9.9132 9.9132 10.4209 10.4209 15.8726 15.8726 17.8993 17.8993 21.6166 21.6166 22.9735 22.9735 k = 0.5446 0.1598 0.2770 ( 930 PWs) bands (ev): -6.1063 -6.1063 2.9160 2.9160 3.1369 3.1369 3.5063 3.5063 4.4352 4.4352 4.5524 4.5524 6.8098 6.8098 9.8248 9.8248 10.3922 10.3922 15.9730 15.9730 17.8677 17.8677 21.5053 21.5053 23.0008 23.0008 k = 0.5476 0.1512 0.2819 ( 931 PWs) bands (ev): -6.1077 -6.1077 2.9346 2.9346 3.1541 3.1541 3.5241 3.5241 4.4335 4.4335 4.5547 4.5547 6.8164 6.8164 9.7338 9.7338 10.3619 10.3619 16.0762 16.0762 17.8345 17.8345 21.3932 21.3932 23.0301 23.0301 k = 0.5506 0.1426 0.2867 ( 931 PWs) bands (ev): -6.1091 -6.1091 2.9533 2.9533 3.1727 3.1727 3.5428 3.5428 4.4319 4.4319 4.5575 4.5575 6.8236 6.8236 9.6405 9.6405 10.3301 10.3301 16.1816 16.1816 17.8000 17.8000 21.2812 21.2812 23.0608 23.0608 k = 0.5536 0.1340 0.2916 ( 933 PWs) bands (ev): -6.1107 -6.1107 2.9720 2.9720 3.1926 3.1926 3.5621 3.5621 4.4305 4.4305 4.5607 4.5607 6.8316 6.8316 9.5452 9.5452 10.2970 10.2970 16.2885 16.2885 17.7645 17.7645 21.1699 21.1699 23.0928 23.0928 k = 0.5565 0.1254 0.2965 ( 932 PWs) bands (ev): -6.1123 -6.1123 2.9905 2.9905 3.2139 3.2139 3.5821 3.5821 4.4294 4.4294 4.5644 4.5644 6.8404 6.8404 9.4483 9.4483 10.2625 10.2625 16.3962 16.3962 17.7286 17.7286 21.0598 21.0598 23.1258 23.1258 k = 0.5595 0.1168 0.3013 ( 932 PWs) bands (ev): -6.1139 -6.1139 3.0087 3.0087 3.2364 3.2364 3.6027 3.6027 4.4286 4.4286 4.5687 4.5687 6.8501 6.8501 9.3501 9.3501 10.2268 10.2268 16.5036 16.5036 17.6930 17.6930 20.9514 20.9514 23.1595 23.1595 k = 0.5625 0.1083 0.3062 ( 930 PWs) bands (ev): -6.1156 -6.1156 3.0265 3.0265 3.2603 3.2603 3.6238 3.6238 4.4282 4.4282 4.5736 4.5736 6.8608 6.8608 9.2508 9.2508 10.1899 10.1899 16.6092 16.6092 17.6590 17.6590 20.8452 20.8452 23.1937 23.1937 k = 0.5655 0.0997 0.3110 ( 930 PWs) bands (ev): -6.1173 -6.1173 3.0438 3.0438 3.2853 3.2853 3.6452 3.6452 4.4283 4.4283 4.5790 4.5790 6.8724 6.8724 9.1508 9.1508 10.1520 10.1520 16.7109 16.7109 17.6285 17.6285 20.7414 20.7414 23.2282 23.2282 k = 0.5685 0.0911 0.3159 ( 930 PWs) bands (ev): -6.1191 -6.1191 3.0605 3.0605 3.3114 3.3114 3.6668 3.6668 4.4288 4.4288 4.5850 4.5850 6.8851 6.8851 9.0503 9.0503 10.1130 10.1130 16.8055 16.8055 17.6045 17.6045 20.6404 20.6404 23.2628 23.2628 k = 0.5714 0.0825 0.3208 ( 930 PWs) bands (ev): -6.1209 -6.1209 3.0765 3.0765 3.3384 3.3384 3.6886 3.6886 4.4298 4.4298 4.5918 4.5918 6.8989 6.8989 8.9495 8.9495 10.0732 10.0732 16.8879 16.8879 17.5920 17.5920 20.5424 20.5424 23.2973 23.2973 k = 0.5744 0.0739 0.3256 ( 930 PWs) bands (ev): -6.1227 -6.1227 3.0919 3.0919 3.3662 3.3662 3.7103 3.7103 4.4314 4.4314 4.5992 4.5992 6.9139 6.9139 8.8488 8.8488 10.0326 10.0326 16.9514 16.9514 17.5974 17.5974 20.4475 20.4475 23.3314 23.3314 k = 0.5774 0.0653 0.3305 ( 932 PWs) bands (ev): -6.1246 -6.1246 3.1066 3.1066 3.3945 3.3945 3.7319 3.7319 4.4336 4.4336 4.6072 4.6072 6.9300 6.9300 8.7483 8.7483 9.9913 9.9913 16.9898 16.9898 17.6270 17.6270 20.3561 20.3561 23.3651 23.3651 k = 0.5804 0.0567 0.3353 ( 932 PWs) bands (ev): -6.1265 -6.1265 3.1206 3.1206 3.4235 3.4235 3.7533 3.7533 4.4365 4.4365 4.6160 4.6160 6.9473 6.9473 8.6484 8.6484 9.9493 9.9493 17.0012 17.0012 17.6825 17.6825 20.2681 20.2681 23.3981 23.3981 k = 0.5833 0.0481 0.3402 ( 940 PWs) bands (ev): -6.1285 -6.1285 3.1338 3.1338 3.4526 3.4526 3.7742 3.7742 4.4398 4.4398 4.6254 4.6254 6.9657 6.9657 8.5493 8.5493 9.9066 9.9066 16.9892 16.9892 17.7602 17.7602 20.1837 20.1837 23.4304 23.4304 k = 0.5863 0.0395 0.3451 ( 935 PWs) bands (ev): -6.1304 -6.1304 3.1465 3.1465 3.4823 3.4823 3.7949 3.7949 4.4441 4.4441 4.6357 4.6357 6.9854 6.9854 8.4516 8.4516 9.8637 9.8637 16.9603 16.9603 17.8536 17.8536 20.1030 20.1030 23.4618 23.4618 k = 0.5893 0.0309 0.3499 ( 933 PWs) bands (ev): -6.1324 -6.1324 3.1585 3.1585 3.5119 3.5119 3.8150 3.8150 4.4488 4.4488 4.6467 4.6467 7.0061 7.0061 8.3554 8.3554 9.8204 9.8204 16.9200 16.9200 17.9573 17.9573 20.0259 20.0259 23.4921 23.4921 k = 0.5923 0.0223 0.3548 ( 931 PWs) bands (ev): -6.1345 -6.1345 3.1698 3.1698 3.5415 3.5415 3.8345 3.8345 4.4542 4.4542 4.6582 4.6582 7.0277 7.0277 8.2612 8.2612 9.7768 9.7768 16.8721 16.8721 18.0672 18.0672 19.9525 19.9525 23.5213 23.5213 k = 0.5952 0.0137 0.3596 ( 931 PWs) bands (ev): -6.1366 -6.1366 3.1804 3.1804 3.5707 3.5707 3.8532 3.8532 4.4601 4.4601 4.6703 4.6703 7.0500 7.0500 8.1695 8.1695 9.7331 9.7331 16.8189 16.8189 18.1811 18.1811 19.8827 19.8827 23.5493 23.5493 k = 0.5982 0.0052 0.3645 ( 931 PWs) bands (ev): -6.1387 -6.1387 3.1903 3.1903 3.5995 3.5995 3.8713 3.8713 4.4664 4.4664 4.6830 4.6830 7.0727 7.0727 8.0810 8.0810 9.6892 9.6892 16.7622 16.7622 18.2973 18.2973 19.8166 19.8166 23.5760 23.5760 k = 0.6012-0.0034 0.3694 ( 933 PWs) bands (ev): -6.1409 -6.1409 3.1995 3.1995 3.6277 3.6277 3.8886 3.8886 4.4730 4.4730 4.6959 4.6959 7.0952 7.0952 7.9964 7.9964 9.6454 9.6454 16.7030 16.7030 18.4147 18.4147 19.7542 19.7542 23.6015 23.6015 k = 0.6042-0.0120 0.3742 ( 931 PWs) bands (ev): -6.1431 -6.1431 3.2082 3.2082 3.6553 3.6553 3.9052 3.9052 4.4801 4.4801 4.7092 4.7092 7.1167 7.1167 7.9169 7.9169 9.6017 9.6017 16.6421 16.6421 18.5324 18.5324 19.6954 19.6954 23.6256 23.6256 k = 0.6071-0.0206 0.3791 ( 931 PWs) bands (ev): -6.1454 -6.1454 3.2162 3.2162 3.6821 3.6821 3.9211 3.9211 4.4874 4.4874 4.7224 4.7224 7.1361 7.1361 7.8440 7.8440 9.5582 9.5582 16.5801 16.5801 18.6499 18.6499 19.6403 19.6403 23.6483 23.6483 k = 0.6101-0.0292 0.3839 ( 933 PWs) bands (ev): -6.1477 -6.1477 3.2237 3.2237 3.7077 3.7077 3.9363 3.9363 4.4947 4.4947 4.7356 4.7356 7.1514 7.1514 7.7795 7.7795 9.5150 9.5150 16.5175 16.5175 18.7665 18.7665 19.5889 19.5889 23.6697 23.6697 k = 0.6131-0.0378 0.3888 ( 935 PWs) bands (ev): -6.1502 -6.1502 3.2306 3.2306 3.7322 3.7322 3.9510 3.9510 4.5020 4.5020 4.7484 4.7484 7.1606 7.1606 7.7262 7.7262 9.4722 9.4722 16.4546 16.4546 18.8818 18.8818 19.5414 19.5414 23.6898 23.6898 k = 0.6161-0.0464 0.3937 ( 933 PWs) bands (ev): -6.1526 -6.1526 3.2370 3.2370 3.7554 3.7554 3.9654 3.9654 4.5093 4.5093 4.7608 4.7608 7.1608 7.1608 7.6869 7.6869 9.4298 9.4298 16.3919 16.3919 18.9948 18.9948 19.4983 19.4983 23.7087 23.7087 k = 0.6190-0.0550 0.3985 ( 933 PWs) bands (ev): -6.1552 -6.1552 3.2429 3.2429 3.7769 3.7769 3.9793 3.9793 4.5164 4.5164 4.7725 4.7725 7.1501 7.1501 7.6639 7.6639 9.3881 9.3881 16.3295 16.3295 19.1039 19.1039 19.4610 19.4610 23.7263 23.7263 k = 0.6220-0.0636 0.4034 ( 935 PWs) bands (ev): -6.1579 -6.1579 3.2484 3.2484 3.7967 3.7967 3.9930 3.9930 4.5231 4.5231 4.7831 4.7831 7.1283 7.1283 7.6576 7.6576 9.3469 9.3469 16.2679 16.2679 19.2039 19.2039 19.4342 19.4342 23.7427 23.7427 k = 0.6250-0.0722 0.4082 ( 937 PWs) bands (ev): -6.1607 -6.1607 3.2535 3.2535 3.8146 3.8146 4.0067 4.0067 4.5294 4.5294 4.7925 4.7925 7.0975 7.0975 7.6661 7.6661 9.3065 9.3065 16.2071 16.2071 19.2761 19.2761 19.4368 19.4368 23.7580 23.7580 k = 0.6250-0.0722 0.4082 ( 937 PWs) bands (ev): -6.1607 -6.1607 3.2535 3.2535 3.8146 3.8146 4.0067 4.0067 4.5294 4.5294 4.7925 4.7925 7.0975 7.0975 7.6661 7.6661 9.3065 9.3065 16.2071 16.2071 19.2761 19.2761 19.4368 19.4368 23.7580 23.7580 k = 0.6198-0.0692 0.4168 ( 935 PWs) bands (ev): -6.1606 -6.1606 3.2539 3.2539 3.8137 3.8137 4.0068 4.0068 4.5287 4.5287 4.7941 4.7941 7.0983 7.0983 7.6663 7.6663 9.3040 9.3040 16.2096 16.2096 19.2769 19.2769 19.4376 19.4376 23.7454 23.7454 k = 0.6146-0.0662 0.4253 ( 933 PWs) bands (ev): -6.1605 -6.1605 3.2550 3.2550 3.8111 3.8111 4.0071 4.0071 4.5266 4.5266 4.7986 4.7986 7.1007 7.1007 7.6670 7.6670 9.2965 9.2965 16.2172 16.2172 19.2794 19.2794 19.4399 19.4399 23.7082 23.7082 k = 0.6094-0.0631 0.4338 ( 933 PWs) bands (ev): -6.1602 -6.1602 3.2569 3.2569 3.8068 3.8068 4.0074 4.0074 4.5232 4.5232 4.8057 4.8057 7.1047 7.1047 7.6680 7.6680 9.2842 9.2842 16.2298 16.2298 19.2835 19.2835 19.4438 19.4438 23.6485 23.6485 k = 0.6042-0.0601 0.4423 ( 934 PWs) bands (ev): -6.1598 -6.1598 3.2595 3.2595 3.8011 3.8011 4.0074 4.0074 4.5189 4.5189 4.8150 4.8150 7.1102 7.1102 7.6693 7.6693 9.2672 9.2672 16.2470 16.2470 19.2892 19.2892 19.4493 19.4493 23.5693 23.5693 k = 0.5990-0.0571 0.4508 ( 932 PWs) bands (ev): -6.1594 -6.1594 3.2630 3.2630 3.7943 3.7943 4.0071 4.0071 4.5142 4.5142 4.8263 4.8263 7.1172 7.1172 7.6710 7.6710 9.2458 9.2458 16.2686 16.2686 19.2965 19.2965 19.4566 19.4566 23.4738 23.4738 k = 0.5938-0.0541 0.4593 ( 932 PWs) bands (ev): -6.1588 -6.1588 3.2668 3.2668 3.7868 3.7868 4.0061 4.0061 4.5095 4.5095 4.8390 4.8390 7.1258 7.1258 7.6728 7.6728 9.2203 9.2203 16.2942 16.2942 19.3052 19.3052 19.4656 19.4656 23.3652 23.3652 k = 0.5885-0.0511 0.4678 ( 932 PWs) bands (ev): -6.1582 -6.1582 3.2712 3.2712 3.7788 3.7788 4.0043 4.0043 4.5049 4.5049 4.8527 4.8527 7.1360 7.1360 7.6747 7.6747 9.1912 9.1912 16.3234 16.3234 19.3153 19.3153 19.4764 19.4764 23.2466 23.2466 k = 0.5833-0.0481 0.4763 ( 928 PWs) bands (ev): -6.1574 -6.1574 3.2761 3.2761 3.7706 3.7706 4.0016 4.0016 4.5010 4.5010 4.8672 4.8672 7.1476 7.1476 7.6766 7.6766 9.1590 9.1590 16.3556 16.3556 19.3266 19.3266 19.4893 19.4893 23.1205 23.1205 k = 0.5781-0.0451 0.4848 ( 930 PWs) bands (ev): -6.1566 -6.1566 3.2812 3.2812 3.7623 3.7623 3.9977 3.9977 4.4975 4.4975 4.8820 4.8820 7.1607 7.1607 7.6783 7.6783 9.1240 9.1240 16.3902 16.3902 19.3391 19.3391 19.5041 19.5041 22.9893 22.9893 k = 0.5729-0.0421 0.4933 ( 934 PWs) bands (ev): -6.1558 -6.1558 3.2865 3.2865 3.7543 3.7543 3.9927 3.9927 4.4947 4.4947 4.8969 4.8969 7.1752 7.1752 7.6796 7.6796 9.0870 9.0870 16.4268 16.4268 19.3526 19.3526 19.5209 19.5209 22.8549 22.8549 k = 0.5677-0.0391 0.5018 ( 930 PWs) bands (ev): -6.1549 -6.1549 3.2921 3.2921 3.7470 3.7470 3.9869 3.9869 4.4928 4.4928 4.9118 4.9118 7.1912 7.1912 7.6803 7.6803 9.0485 9.0485 16.4647 16.4647 19.3670 19.3670 19.5398 19.5398 22.7191 22.7191 k = 0.5625-0.0361 0.5103 ( 930 PWs) bands (ev): -6.1540 -6.1540 3.2976 3.2976 3.7404 3.7404 3.9800 3.9800 4.4916 4.4916 4.9264 4.9264 7.2085 7.2085 7.6801 7.6801 9.0092 9.0092 16.5031 16.5031 19.3822 19.3822 19.5605 19.5605 22.5835 22.5835 k = 0.5573-0.0331 0.5188 ( 928 PWs) bands (ev): -6.1530 -6.1530 3.3030 3.3030 3.7346 3.7346 3.9724 3.9724 4.4911 4.4911 4.9405 4.9405 7.2272 7.2272 7.6788 7.6788 8.9697 8.9697 16.5415 16.5415 19.3980 19.3980 19.5829 19.5829 22.4497 22.4497 k = 0.5521-0.0301 0.5273 ( 928 PWs) bands (ev): -6.1521 -6.1521 3.3081 3.3081 3.7298 3.7298 3.9640 3.9640 4.4911 4.4911 4.9539 4.9539 7.2471 7.2471 7.6761 7.6761 8.9308 8.9308 16.5793 16.5793 19.4146 19.4146 19.6065 19.6065 22.3190 22.3190 k = 0.5469-0.0271 0.5358 ( 928 PWs) bands (ev): -6.1511 -6.1511 3.3128 3.3128 3.7261 3.7261 3.9552 3.9552 4.4916 4.4916 4.9666 4.9666 7.2683 7.2683 7.6715 7.6715 8.8933 8.8933 16.6157 16.6157 19.4317 19.4317 19.6307 19.6307 22.1931 22.1931 k = 0.5417-0.0241 0.5443 ( 928 PWs) bands (ev): -6.1502 -6.1502 3.3171 3.3171 3.7235 3.7235 3.9462 3.9462 4.4924 4.4924 4.9783 4.9783 7.2907 7.2907 7.6648 7.6648 8.8578 8.8578 16.6503 16.6503 19.4493 19.4493 19.6548 19.6548 22.0735 22.0735 k = 0.5365-0.0210 0.5528 ( 928 PWs) bands (ev): -6.1493 -6.1493 3.3208 3.3208 3.7221 3.7221 3.9373 3.9373 4.4935 4.4935 4.9889 4.9889 7.3142 7.3142 7.6556 7.6556 8.8251 8.8251 16.6824 16.6824 19.4675 19.4675 19.6779 19.6779 21.9619 21.9619 k = 0.5312-0.0180 0.5613 ( 926 PWs) bands (ev): -6.1485 -6.1485 3.3239 3.3239 3.7217 3.7217 3.9286 3.9286 4.4946 4.4946 4.9984 4.9984 7.3388 7.3388 7.6436 7.6436 8.7958 8.7958 16.7116 16.7116 19.4862 19.4862 19.6986 19.6986 21.8602 21.8602 k = 0.5260-0.0150 0.5698 ( 930 PWs) bands (ev): -6.1477 -6.1477 3.3263 3.3263 3.7221 3.7221 3.9204 3.9204 4.4956 4.4956 5.0065 5.0065 7.3644 7.3644 7.6286 7.6286 8.7703 8.7703 16.7372 16.7372 19.5052 19.5052 19.7159 19.7159 21.7701 21.7701 k = 0.5208-0.0120 0.5784 ( 934 PWs) bands (ev): -6.1471 -6.1471 3.3282 3.3282 3.7230 3.7230 3.9130 3.9130 4.4966 4.4966 5.0132 5.0132 7.3910 7.3910 7.6106 7.6106 8.7493 8.7493 16.7590 16.7590 19.5241 19.5241 19.7286 19.7286 21.6937 21.6937 k = 0.5156-0.0090 0.5869 ( 932 PWs) bands (ev): -6.1465 -6.1465 3.3296 3.3296 3.7244 3.7244 3.9069 3.9069 4.4976 4.4976 5.0187 5.0187 7.4183 7.4183 7.5895 7.5895 8.7330 8.7330 16.7764 16.7764 19.5426 19.5426 19.7358 19.7358 21.6328 21.6328 k = 0.5104-0.0060 0.5954 ( 932 PWs) bands (ev): -6.1461 -6.1461 3.3304 3.3304 3.7257 3.7257 3.9023 3.9023 4.4983 4.4983 5.0226 5.0226 7.4463 7.4463 7.5658 7.5658 8.7214 8.7214 16.7892 16.7892 19.5595 19.5595 19.7376 19.7376 21.5886 21.5886 k = 0.5052-0.0030 0.6039 ( 932 PWs) bands (ev): -6.1459 -6.1459 3.3309 3.3309 3.7267 3.7267 3.8993 3.8993 4.4988 4.4988 5.0250 5.0250 7.4740 7.4740 7.5403 7.5403 8.7146 8.7146 16.7970 16.7970 19.5727 19.5727 19.7355 19.7355 21.5621 21.5621 k = 0.5000-0.0000 0.6124 ( 932 PWs) bands (ev): -6.1458 -6.1458 3.3311 3.3311 3.7271 3.7271 3.8984 3.8984 4.4990 4.4990 5.0258 5.0258 7.4929 7.4929 7.5221 7.5221 8.7124 8.7124 16.7997 16.7997 19.5782 19.5782 19.7335 19.7335 21.5534 21.5534 k = 0.5000-0.0000 0.6124 ( 932 PWs) bands (ev): -6.1458 -6.1458 3.3311 3.3311 3.7271 3.7271 3.8984 3.8984 4.4990 4.4990 5.0258 5.0258 7.4929 7.4929 7.5221 7.5221 8.7124 8.7124 16.7997 16.7997 19.5782 19.5782 19.7335 19.7335 21.5534 21.5534 k = 0.5000 0.0060 0.6039 ( 932 PWs) bands (ev): -6.1457 -6.1457 3.3306 3.3306 3.7262 3.7262 3.8983 3.8983 4.4984 4.4984 5.0241 5.0241 7.4923 7.4923 7.5227 7.5227 8.7175 8.7175 16.8012 16.8012 19.5729 19.5729 19.7294 19.7294 21.5629 21.5629 k = 0.5000 0.0120 0.5954 ( 932 PWs) bands (ev): -6.1456 -6.1456 3.3292 3.3292 3.7235 3.7235 3.8983 3.8983 4.4969 4.4969 5.0193 5.0193 7.4869 7.4869 7.5284 7.5284 8.7325 8.7325 16.8057 16.8057 19.5549 19.5549 19.7201 19.7201 21.5906 21.5906 k = 0.5000 0.0180 0.5869 ( 932 PWs) bands (ev): -6.1453 -6.1453 3.3268 3.3268 3.7190 3.7190 3.8981 3.8981 4.4943 4.4943 5.0114 5.0114 7.4731 7.4731 7.5432 7.5432 8.7569 8.7569 16.8132 16.8132 19.5189 19.5189 19.7126 19.7126 21.6348 21.6348 k = 0.5000 0.0241 0.5784 ( 928 PWs) bands (ev): -6.1449 -6.1449 3.3235 3.3235 3.7129 3.7129 3.8976 3.8976 4.4911 4.4911 5.0007 5.0007 7.4524 7.4524 7.5664 7.5664 8.7896 8.7896 16.8236 16.8236 19.4628 19.4628 19.7117 19.7117 21.6926 21.6926 k = 0.5000 0.0301 0.5698 ( 926 PWs) bands (ev): -6.1444 -6.1444 3.3193 3.3193 3.7051 3.7051 3.8968 3.8968 4.4869 4.4869 4.9872 4.9872 7.4267 7.4267 7.5967 7.5967 8.8297 8.8297 16.8370 16.8370 19.3887 19.3887 19.7179 19.7179 21.7613 21.7613 k = 0.5000 0.0361 0.5613 ( 928 PWs) bands (ev): -6.1439 -6.1439 3.3141 3.3141 3.6958 3.6958 3.8953 3.8953 4.4819 4.4819 4.9711 4.9711 7.3974 7.3974 7.6335 7.6335 8.8759 8.8759 16.8532 16.8532 19.3005 19.3005 19.7301 19.7301 21.8381 21.8381 k = 0.5000 0.0421 0.5528 ( 930 PWs) bands (ev): -6.1432 -6.1432 3.3079 3.3079 3.6851 3.6851 3.8930 3.8930 4.4765 4.4765 4.9530 4.9530 7.3656 7.3656 7.6763 7.6763 8.9271 8.9271 16.8722 16.8722 19.2015 19.2015 19.7472 19.7472 21.9205 21.9205 k = 0.5000 0.0481 0.5443 ( 926 PWs) bands (ev): -6.1424 -6.1424 3.3010 3.3010 3.6731 3.6731 3.8900 3.8900 4.4707 4.4707 4.9333 4.9333 7.3323 7.3323 7.7249 7.7249 8.9826 8.9826 16.8940 16.8940 19.0943 19.0943 19.7685 19.7685 22.0066 22.0066 k = 0.5000 0.0541 0.5358 ( 926 PWs) bands (ev): -6.1415 -6.1415 3.2932 3.2932 3.6598 3.6598 3.8858 3.8858 4.4648 4.4648 4.9121 4.9121 7.2981 7.2981 7.7786 7.7786 9.0413 9.0413 16.9184 16.9184 18.9809 18.9809 19.7938 19.7938 22.0944 22.0944 k = 0.5000 0.0601 0.5273 ( 930 PWs) bands (ev): -6.1406 -6.1406 3.2844 3.2844 3.6450 3.6450 3.8804 3.8804 4.4587 4.4587 4.8896 4.8896 7.2637 7.2637 7.8371 7.8371 9.1024 9.1024 16.9453 16.9453 18.8626 18.8626 19.8227 19.8227 22.1826 22.1826 k = 0.5000 0.0662 0.5188 ( 932 PWs) bands (ev): -6.1395 -6.1395 3.2748 3.2748 3.6290 3.6290 3.8739 3.8739 4.4527 4.4527 4.8665 4.8665 7.2297 7.2297 7.9001 7.9001 9.1654 9.1654 16.9746 16.9746 18.7405 18.7405 19.8554 19.8554 22.2700 22.2700 k = 0.5000 0.0722 0.5103 ( 930 PWs) bands (ev): -6.1384 -6.1384 3.2645 3.2645 3.6119 3.6119 3.8662 3.8662 4.4472 4.4472 4.8430 4.8430 7.1963 7.1963 7.9673 7.9673 9.2298 9.2298 17.0062 17.0062 18.6156 18.6156 19.8917 19.8917 22.3553 22.3553 k = 0.5000 0.0782 0.5018 ( 932 PWs) bands (ev): -6.1372 -6.1372 3.2534 3.2534 3.5934 3.5934 3.8570 3.8570 4.4420 4.4420 4.8194 4.8194 7.1640 7.1640 8.0382 8.0382 9.2950 9.2950 17.0400 17.0400 18.4885 18.4885 19.9317 19.9317 22.4377 22.4377 k = 0.5000 0.0842 0.4933 ( 932 PWs) bands (ev): -6.1359 -6.1359 3.2415 3.2415 3.5739 3.5739 3.8467 3.8467 4.4373 4.4373 4.7959 4.7959 7.1328 7.1328 8.1126 8.1126 9.3605 9.3605 17.0758 17.0758 18.3599 18.3599 19.9754 19.9754 22.5165 22.5165 k = 0.5000 0.0902 0.4848 ( 932 PWs) bands (ev): -6.1346 -6.1346 3.2290 3.2290 3.5532 3.5532 3.8350 3.8350 4.4331 4.4331 4.7729 4.7729 7.1030 7.1030 8.1901 8.1901 9.4260 9.4260 17.1133 17.1133 18.2301 18.2301 20.0228 20.0228 22.5909 22.5909 k = 0.5000 0.0962 0.4763 ( 936 PWs) bands (ev): -6.1332 -6.1332 3.2158 3.2158 3.5314 3.5314 3.8221 3.8221 4.4293 4.4293 4.7503 4.7503 7.0747 7.0747 8.2705 8.2705 9.4912 9.4912 17.1524 17.1524 18.0995 18.0995 20.0740 20.0740 22.6602 22.6602 k = 0.5000 0.1022 0.4678 ( 934 PWs) bands (ev): -6.1317 -6.1317 3.2020 3.2020 3.5087 3.5087 3.8080 3.8080 4.4264 4.4264 4.7289 4.7289 7.0480 7.0480 8.3535 8.3535 9.5559 9.5559 17.1930 17.1930 17.9686 17.9686 20.1291 20.1291 22.7240 22.7240 k = 0.5000 0.1083 0.4593 ( 934 PWs) bands (ev): -6.1302 -6.1302 3.1876 3.1876 3.4851 3.4851 3.7928 3.7928 4.4239 4.4239 4.7085 4.7085 7.0229 7.0229 8.4387 8.4387 9.6196 9.6196 17.2346 17.2346 17.8376 17.8376 20.1881 20.1881 22.7820 22.7820 k = 0.5000 0.1143 0.4508 ( 936 PWs) bands (ev): -6.1287 -6.1287 3.1726 3.1726 3.4607 3.4607 3.7766 3.7766 4.4220 4.4220 4.6892 4.6892 6.9993 6.9993 8.5260 8.5260 9.6823 9.6823 17.2770 17.2770 17.7070 17.7070 20.2510 20.2510 22.8336 22.8336 k = 0.5000 0.1203 0.4423 ( 936 PWs) bands (ev): -6.1271 -6.1271 3.1571 3.1571 3.4358 3.4358 3.7594 3.7594 4.4207 4.4207 4.6712 4.6712 6.9774 6.9774 8.6151 8.6151 9.7437 9.7437 17.3193 17.3193 17.5775 17.5775 20.3179 20.3179 22.8788 22.8788 k = 0.5000 0.1263 0.4338 ( 938 PWs) bands (ev): -6.1255 -6.1255 3.1410 3.1410 3.4104 3.4104 3.7414 3.7414 4.4197 4.4197 4.6546 4.6546 6.9569 6.9569 8.7057 8.7057 9.8036 9.8036 17.3570 17.3570 17.4537 17.4537 20.3888 20.3888 22.9175 22.9175 k = 0.5000 0.1323 0.4253 ( 938 PWs) bands (ev): -6.1238 -6.1238 3.1245 3.1245 3.3848 3.3848 3.7227 3.7227 4.4194 4.4194 4.6396 4.6396 6.9380 6.9380 8.7977 8.7977 9.8620 9.8620 17.3060 17.3060 17.4197 17.4197 20.4637 20.4637 22.9495 22.9495 k = 0.5000 0.1383 0.4168 ( 938 PWs) bands (ev): -6.1222 -6.1222 3.1074 3.1074 3.3592 3.3592 3.7034 3.7034 4.4194 4.4194 4.6258 4.6258 6.9206 6.9206 8.8907 8.8907 9.9186 9.9186 17.1824 17.1824 17.4594 17.4594 20.5425 20.5425 22.9751 22.9751 k = 0.5000 0.1443 0.4082 ( 938 PWs) bands (ev): -6.1205 -6.1205 3.0900 3.0900 3.3338 3.3338 3.6837 3.6837 4.4198 4.4198 4.6135 4.6135 6.9045 6.9045 8.9846 8.9846 9.9734 9.9734 17.0561 17.0561 17.5027 17.5027 20.6253 20.6253 22.9945 22.9945 k = 0.5000 0.1504 0.3997 ( 938 PWs) bands (ev): -6.1189 -6.1189 3.0721 3.0721 3.3087 3.3087 3.6636 3.6636 4.4205 4.4205 4.6026 4.6026 6.8898 6.8898 9.0790 9.0790 10.0262 10.0262 16.9304 16.9304 17.5463 17.5463 20.7119 20.7119 23.0079 23.0079 k = 0.5000 0.1564 0.3912 ( 936 PWs) bands (ev): -6.1172 -6.1172 3.0538 3.0538 3.2842 3.2842 3.6434 3.6434 4.4216 4.4216 4.5929 4.5929 6.8763 6.8763 9.1738 9.1738 10.0771 10.0771 16.8060 16.8060 17.5896 17.5896 20.8022 20.8022 23.0158 23.0158 k = 0.5000 0.1624 0.3827 ( 934 PWs) bands (ev): -6.1156 -6.1156 3.0351 3.0351 3.2604 3.2604 3.6232 3.6232 4.4230 4.4230 4.5846 4.5846 6.8640 6.8640 9.2688 9.2688 10.1258 10.1258 16.6832 16.6832 17.6322 17.6322 20.8960 20.8960 23.0185 23.0185 k = 0.5000 0.1684 0.3742 ( 934 PWs) bands (ev): -6.1140 -6.1140 3.0161 3.0161 3.2374 3.2374 3.6030 3.6030 4.4245 4.4245 4.5772 4.5772 6.8528 6.8528 9.3634 9.3634 10.1723 10.1723 16.5623 16.5623 17.6739 17.6739 20.9930 20.9930 23.0166 23.0166 k = 0.5000 0.1744 0.3657 ( 934 PWs) bands (ev): -6.1124 -6.1124 2.9968 2.9968 3.2154 3.2154 3.5831 3.5831 4.4262 4.4262 4.5709 4.5709 6.8427 6.8427 9.4576 9.4576 10.2167 10.2167 16.4435 16.4435 17.7144 17.7144 21.0930 21.0930 23.0108 23.0108 k = 0.5000 0.1804 0.3572 ( 928 PWs) bands (ev): -6.1108 -6.1108 2.9775 2.9775 3.1947 3.1947 3.5637 3.5637 4.4282 4.4282 4.5656 4.5656 6.8335 6.8335 9.5512 9.5512 10.2588 10.2588 16.3271 16.3271 17.7536 17.7536 21.1955 21.1955 23.0015 23.0015 k = 0.5000 0.1864 0.3487 ( 930 PWs) bands (ev): -6.1093 -6.1093 2.9579 2.9579 3.1749 3.1749 3.5446 3.5446 4.4301 4.4301 4.5611 4.5611 6.8251 6.8251 9.6436 9.6436 10.2987 10.2987 16.2134 16.2134 17.7913 17.7913 21.3001 21.3001 22.9894 22.9894 k = 0.5000 0.1925 0.3402 ( 930 PWs) bands (ev): -6.1078 -6.1078 2.9386 2.9386 3.1563 3.1563 3.5260 3.5260 4.4321 4.4321 4.5573 4.5573 6.8176 6.8176 9.7345 9.7345 10.3363 10.3363 16.1026 16.1026 17.8274 17.8274 21.4063 21.4063 22.9752 22.9752 k = 0.5000 0.1985 0.3317 ( 930 PWs) bands (ev): -6.1064 -6.1064 2.9195 2.9195 3.1389 3.1389 3.5082 3.5082 4.4342 4.4342 4.5542 4.5542 6.8109 6.8109 9.8236 9.8236 10.3716 10.3716 15.9950 15.9950 17.8618 17.8618 21.5135 21.5135 22.9595 22.9595 k = 0.5000 0.2045 0.3232 ( 930 PWs) bands (ev): -6.1051 -6.1051 2.9008 2.9008 3.1228 3.1228 3.4913 3.4913 4.4362 4.4362 4.5517 4.5517 6.8049 6.8049 9.9106 9.9106 10.4046 10.4046 15.8911 15.8911 17.8944 17.8944 21.6207 21.6207 22.9430 22.9430 k = 0.5000 0.2105 0.3147 ( 930 PWs) bands (ev): -6.1038 -6.1038 2.8826 2.8826 3.1078 3.1078 3.4751 3.4751 4.4382 4.4382 4.5498 4.5498 6.7995 6.7995 9.9949 9.9949 10.4353 10.4353 15.7912 15.7912 17.9250 17.9250 21.7272 21.7272 22.9264 22.9264 k = 0.5000 0.2165 0.3062 ( 934 PWs) bands (ev): -6.1026 -6.1026 2.8651 2.8651 3.0940 3.0940 3.4598 3.4598 4.4400 4.4400 4.5481 4.5481 6.7947 6.7947 10.0761 10.0761 10.4636 10.4636 15.6957 15.6957 17.9535 17.9535 21.8319 21.8319 22.9105 22.9105 k = 0.5000 0.2225 0.2977 ( 926 PWs) bands (ev): -6.1014 -6.1014 2.8485 2.8485 3.0815 3.0815 3.4458 3.4458 4.4422 4.4422 4.5474 4.5474 6.7905 6.7905 10.1538 10.1538 10.4899 10.4899 15.6050 15.6050 17.9801 17.9801 21.9336 21.9336 22.8960 22.8960 k = 0.5000 0.2285 0.2892 ( 926 PWs) bands (ev): -6.1004 -6.1004 2.8328 2.8328 3.0701 3.0701 3.4327 3.4327 4.4440 4.4440 4.5466 4.5466 6.7868 6.7868 10.2273 10.2273 10.5138 10.5138 15.5197 15.5197 18.0044 18.0044 22.0306 22.0306 22.8838 22.8838 k = 0.5000 0.2345 0.2807 ( 926 PWs) bands (ev): -6.0994 -6.0994 2.8183 2.8183 3.0598 3.0598 3.4207 3.4207 4.4456 4.4456 4.5460 4.5460 6.7836 6.7836 10.2963 10.2963 10.5354 10.5354 15.4401 15.4401 18.0266 18.0266 22.1215 22.1215 22.8747 22.8747 k = 0.5000 0.2406 0.2722 ( 926 PWs) bands (ev): -6.0985 -6.0985 2.8050 2.8050 3.0506 3.0506 3.4099 3.4099 4.4471 4.4471 4.5457 4.5457 6.7808 6.7808 10.3600 10.3600 10.5548 10.5548 15.3669 15.3669 18.0465 18.0465 22.2043 22.2043 22.8698 22.8698 k = 0.5000 0.2466 0.2637 ( 928 PWs) bands (ev): -6.0977 -6.0977 2.7930 2.7930 3.0425 3.0425 3.4002 3.4002 4.4484 4.4484 4.5455 4.5455 6.7784 6.7784 10.4177 10.4177 10.5721 10.5721 15.3006 15.3006 18.0641 18.0641 22.2771 22.2771 22.8698 22.8698 k = 0.5000 0.2526 0.2552 ( 930 PWs) bands (ev): -6.0970 -6.0970 2.7825 2.7825 3.0354 3.0354 3.3918 3.3918 4.4495 4.4495 4.5454 4.5454 6.7764 6.7764 10.4690 10.4690 10.5873 10.5873 15.2417 15.2417 18.0794 18.0794 22.3384 22.3384 22.8752 22.8752 k = 0.5000 0.2586 0.2467 ( 926 PWs) bands (ev): -6.0965 -6.0965 2.7735 2.7735 3.0295 3.0295 3.3847 3.3847 4.4506 4.4506 4.5456 4.5456 6.7748 6.7748 10.5131 10.5131 10.6006 10.6006 15.1908 15.1908 18.0925 18.0925 22.3872 22.3872 22.8857 22.8857 k = 0.5000 0.2646 0.2381 ( 926 PWs) bands (ev): -6.0960 -6.0960 2.7660 2.7660 3.0247 3.0247 3.3788 3.3788 4.4514 4.4514 4.5457 4.5457 6.7735 6.7735 10.5492 10.5492 10.6123 10.6123 15.1483 15.1483 18.1032 18.1032 22.4237 22.4237 22.8999 22.8999 k = 0.5000 0.2706 0.2296 ( 926 PWs) bands (ev): -6.0956 -6.0956 2.7601 2.7601 3.0210 3.0210 3.3742 3.3742 4.4520 4.4520 4.5458 4.5458 6.7725 6.7725 10.5764 10.5764 10.6229 10.6229 15.1147 15.1147 18.1115 18.1115 22.4492 22.4492 22.9153 22.9153 k = 0.5000 0.2766 0.2211 ( 914 PWs) bands (ev): -6.0953 -6.0953 2.7560 2.7560 3.0185 3.0185 3.3712 3.3712 4.4529 4.4529 4.5463 4.5463 6.7718 6.7718 10.5944 10.5944 10.6324 10.6324 15.0905 15.0905 18.1175 18.1175 22.4656 22.4656 22.9290 22.9290 k = 0.5000 0.2827 0.2126 ( 912 PWs) bands (ev): -6.0951 -6.0951 2.7534 2.7534 3.0169 3.0169 3.3692 3.3692 4.4533 4.4533 4.5465 4.5465 6.7714 6.7714 10.6039 10.6039 10.6395 10.6395 15.0758 15.0758 18.1211 18.1211 22.4747 22.4747 22.9384 22.9384 k = 0.5000 0.2887 0.2041 ( 912 PWs) bands (ev): -6.0951 -6.0951 2.7526 2.7526 3.0164 3.0164 3.3686 3.3686 4.4534 4.4534 4.5465 4.5465 6.7712 6.7712 10.6067 10.6067 10.6421 10.6421 15.0709 15.0709 18.1223 18.1223 22.4776 22.4776 22.9417 22.9417 k = 0.5000 0.2887 0.2041 ( 912 PWs) bands (ev): -6.0951 -6.0951 2.7526 2.7526 3.0164 3.0164 3.3686 3.3686 4.4534 4.4534 4.5465 4.5465 6.7712 6.7712 10.6067 10.6067 10.6421 10.6421 15.0709 15.0709 18.1223 18.1223 22.4776 22.4776 22.9417 22.9417 k = 0.4970 0.2870 0.2138 ( 912 PWs) bands (ev): -6.0951 -6.0951 2.7534 2.7534 3.0169 3.0169 3.3692 3.3692 4.4533 4.4533 4.5465 4.5465 6.7714 6.7714 10.6039 10.6039 10.6395 10.6395 15.0757 15.0757 18.1211 18.1211 22.4747 22.4747 22.9384 22.9384 k = 0.4940 0.2852 0.2236 ( 914 PWs) bands (ev): -6.0953 -6.0953 2.7559 2.7559 3.0184 3.0184 3.3711 3.3711 4.4529 4.4529 4.5463 4.5463 6.7718 6.7718 10.5947 10.5947 10.6326 10.6326 15.0901 15.0901 18.1176 18.1176 22.4659 22.4659 22.9292 22.9292 k = 0.4911 0.2835 0.2333 ( 920 PWs) bands (ev): -6.0956 -6.0956 2.7600 2.7600 3.0210 3.0210 3.3742 3.3742 4.4522 4.4522 4.5460 4.5460 6.7725 6.7725 10.5771 10.5771 10.6233 10.6233 15.1138 15.1138 18.1117 18.1117 22.4499 22.4499 22.9158 22.9158 k = 0.4881 0.2818 0.2430 ( 928 PWs) bands (ev): -6.0960 -6.0960 2.7657 2.7657 3.0245 3.0245 3.3786 3.3786 4.4513 4.4513 4.5456 4.5456 6.7734 6.7734 10.5505 10.5505 10.6128 10.6128 15.1467 15.1467 18.1035 18.1035 22.4249 22.4249 22.9006 22.9006 k = 0.4851 0.2801 0.2527 ( 930 PWs) bands (ev): -6.0964 -6.0964 2.7730 2.7730 3.0292 3.0292 3.3843 3.3843 4.4505 4.4505 4.5454 4.5454 6.7747 6.7747 10.5150 10.5150 10.6014 10.6014 15.1884 15.1884 18.0931 18.0931 22.3892 22.3892 22.8866 22.8866 k = 0.4821 0.2784 0.2624 ( 930 PWs) bands (ev): -6.0970 -6.0970 2.7819 2.7819 3.0350 3.0350 3.3913 3.3913 4.4495 4.4495 4.5454 4.5454 6.7763 6.7763 10.4716 10.4716 10.5885 10.5885 15.2383 15.2383 18.0803 18.0803 22.3413 22.3413 22.8763 22.8763 k = 0.4792 0.2766 0.2722 ( 933 PWs) bands (ev): -6.0977 -6.0977 2.7922 2.7922 3.0418 3.0418 3.3995 3.3995 4.4482 4.4482 4.5452 4.5452 6.7783 6.7783 10.4210 10.4210 10.5738 10.5738 15.2960 15.2960 18.0653 18.0653 22.2808 22.2808 22.8714 22.8714 k = 0.4762 0.2749 0.2819 ( 929 PWs) bands (ev): -6.0985 -6.0985 2.8040 2.8040 3.0498 3.0498 3.4090 3.4090 4.4471 4.4471 4.5455 4.5455 6.7806 6.7806 10.3637 10.3637 10.5574 10.5574 15.3610 15.3610 18.0480 18.0480 22.2086 22.2086 22.8723 22.8723 k = 0.4732 0.2732 0.2916 ( 929 PWs) bands (ev): -6.0993 -6.0993 2.8170 2.8170 3.0589 3.0589 3.4196 3.4196 4.4457 4.4457 4.5458 4.5458 6.7834 6.7834 10.3005 10.3005 10.5392 10.5392 15.4328 15.4328 18.0285 18.0285 22.1260 22.1260 22.8788 22.8788 k = 0.4702 0.2715 0.3013 ( 929 PWs) bands (ev): -6.1003 -6.1003 2.8312 2.8312 3.0690 3.0690 3.4314 3.4314 4.4441 4.4441 4.5462 4.5462 6.7865 6.7865 10.2318 10.2318 10.5191 10.5191 15.5107 15.5107 18.0068 18.0068 22.0348 22.0348 22.8904 22.8904 k = 0.4673 0.2698 0.3110 ( 929 PWs) bands (ev): -6.1013 -6.1013 2.8466 2.8466 3.0802 3.0802 3.4443 3.4443 4.4424 4.4424 4.5469 4.5469 6.7901 6.7901 10.1583 10.1583 10.4972 10.4972 15.5941 15.5941 17.9830 17.9830 21.9367 21.9367 22.9062 22.9062 k = 0.4643 0.2681 0.3208 ( 929 PWs) bands (ev): -6.1024 -6.1024 2.8629 2.8629 3.0926 3.0926 3.4583 3.4583 4.4407 4.4407 4.5478 4.5478 6.7942 6.7942 10.0803 10.0803 10.4734 10.4734 15.6827 15.6827 17.9570 17.9570 21.8335 21.8335 22.9257 22.9257 k = 0.4613 0.2663 0.3305 ( 930 PWs) bands (ev): -6.1036 -6.1036 2.8800 2.8800 3.1061 3.1061 3.4734 3.4734 4.4388 4.4388 4.5490 4.5490 6.7988 6.7988 9.9985 9.9985 10.4481 10.4481 15.7757 15.7757 17.9291 17.9291 21.7264 21.7264 22.9483 22.9483 k = 0.4583 0.2646 0.3402 ( 930 PWs) bands (ev): -6.1049 -6.1049 2.8977 2.8977 3.1209 3.1209 3.4894 3.4894 4.4370 4.4370 4.5505 4.5505 6.8040 6.8040 9.9132 9.9132 10.4209 10.4209 15.8726 15.8726 17.8993 17.8993 21.6166 21.6166 22.9735 22.9735 k = 0.4554 0.2629 0.3499 ( 930 PWs) bands (ev): -6.1063 -6.1063 2.9160 2.9160 3.1369 3.1369 3.5063 3.5063 4.4352 4.4352 4.5524 4.5524 6.8098 6.8098 9.8248 9.8248 10.3922 10.3922 15.9730 15.9730 17.8677 17.8677 21.5053 21.5053 23.0008 23.0008 k = 0.4524 0.2612 0.3596 ( 931 PWs) bands (ev): -6.1077 -6.1077 2.9346 2.9346 3.1541 3.1541 3.5241 3.5241 4.4335 4.4335 4.5547 4.5547 6.8164 6.8164 9.7338 9.7338 10.3619 10.3619 16.0762 16.0762 17.8345 17.8345 21.3932 21.3932 23.0301 23.0301 k = 0.4494 0.2595 0.3694 ( 931 PWs) bands (ev): -6.1091 -6.1091 2.9533 2.9533 3.1727 3.1727 3.5428 3.5428 4.4319 4.4319 4.5575 4.5575 6.8236 6.8236 9.6405 9.6405 10.3301 10.3301 16.1816 16.1816 17.8000 17.8000 21.2812 21.2812 23.0608 23.0608 k = 0.4464 0.2577 0.3791 ( 933 PWs) bands (ev): -6.1107 -6.1107 2.9720 2.9720 3.1926 3.1926 3.5621 3.5621 4.4305 4.4305 4.5607 4.5607 6.8316 6.8316 9.5452 9.5452 10.2970 10.2970 16.2885 16.2885 17.7645 17.7645 21.1699 21.1699 23.0928 23.0928 k = 0.4435 0.2560 0.3888 ( 932 PWs) bands (ev): -6.1123 -6.1123 2.9905 2.9905 3.2139 3.2139 3.5821 3.5821 4.4294 4.4294 4.5644 4.5644 6.8404 6.8404 9.4483 9.4483 10.2625 10.2625 16.3962 16.3962 17.7286 17.7286 21.0598 21.0598 23.1258 23.1258 k = 0.4405 0.2543 0.3985 ( 932 PWs) bands (ev): -6.1139 -6.1139 3.0087 3.0087 3.2364 3.2364 3.6027 3.6027 4.4286 4.4286 4.5687 4.5687 6.8501 6.8501 9.3501 9.3501 10.2268 10.2268 16.5036 16.5036 17.6930 17.6930 20.9514 20.9514 23.1595 23.1595 k = 0.4375 0.2526 0.4082 ( 930 PWs) bands (ev): -6.1156 -6.1156 3.0265 3.0265 3.2603 3.2603 3.6238 3.6238 4.4282 4.4282 4.5736 4.5736 6.8608 6.8608 9.2508 9.2508 10.1899 10.1899 16.6092 16.6092 17.6590 17.6590 20.8452 20.8452 23.1937 23.1937 k = 0.4345 0.2509 0.4180 ( 930 PWs) bands (ev): -6.1173 -6.1173 3.0438 3.0438 3.2853 3.2853 3.6452 3.6452 4.4283 4.4283 4.5790 4.5790 6.8724 6.8724 9.1508 9.1508 10.1520 10.1520 16.7109 16.7109 17.6285 17.6285 20.7414 20.7414 23.2282 23.2282 k = 0.4315 0.2492 0.4277 ( 930 PWs) bands (ev): -6.1191 -6.1191 3.0605 3.0605 3.3114 3.3114 3.6668 3.6668 4.4288 4.4288 4.5850 4.5850 6.8851 6.8851 9.0503 9.0503 10.1130 10.1130 16.8055 16.8055 17.6045 17.6045 20.6404 20.6404 23.2628 23.2628 k = 0.4286 0.2474 0.4374 ( 930 PWs) bands (ev): -6.1209 -6.1209 3.0765 3.0765 3.3384 3.3384 3.6886 3.6886 4.4298 4.4298 4.5918 4.5918 6.8989 6.8989 8.9495 8.9495 10.0732 10.0732 16.8879 16.8879 17.5920 17.5920 20.5424 20.5424 23.2973 23.2973 k = 0.4256 0.2457 0.4471 ( 930 PWs) bands (ev): -6.1227 -6.1227 3.0919 3.0919 3.3662 3.3662 3.7103 3.7103 4.4314 4.4314 4.5992 4.5992 6.9139 6.9139 8.8488 8.8488 10.0326 10.0326 16.9514 16.9514 17.5974 17.5974 20.4475 20.4475 23.3314 23.3314 k = 0.4226 0.2440 0.4568 ( 932 PWs) bands (ev): -6.1246 -6.1246 3.1066 3.1066 3.3945 3.3945 3.7319 3.7319 4.4336 4.4336 4.6072 4.6072 6.9300 6.9300 8.7483 8.7483 9.9913 9.9913 16.9898 16.9898 17.6270 17.6270 20.3561 20.3561 23.3651 23.3651 k = 0.4196 0.2423 0.4666 ( 932 PWs) bands (ev): -6.1265 -6.1265 3.1206 3.1206 3.4235 3.4235 3.7533 3.7533 4.4365 4.4365 4.6160 4.6160 6.9473 6.9473 8.6484 8.6484 9.9493 9.9493 17.0012 17.0012 17.6825 17.6825 20.2681 20.2681 23.3981 23.3981 k = 0.4167 0.2406 0.4763 ( 940 PWs) bands (ev): -6.1285 -6.1285 3.1338 3.1338 3.4526 3.4526 3.7742 3.7742 4.4398 4.4398 4.6254 4.6254 6.9657 6.9657 8.5493 8.5493 9.9066 9.9066 16.9892 16.9892 17.7602 17.7602 20.1837 20.1837 23.4304 23.4304 k = 0.4137 0.2388 0.4860 ( 935 PWs) bands (ev): -6.1304 -6.1304 3.1465 3.1465 3.4823 3.4823 3.7949 3.7949 4.4441 4.4441 4.6357 4.6357 6.9854 6.9854 8.4516 8.4516 9.8637 9.8637 16.9603 16.9603 17.8536 17.8536 20.1030 20.1030 23.4618 23.4618 k = 0.4107 0.2371 0.4957 ( 933 PWs) bands (ev): -6.1324 -6.1324 3.1585 3.1585 3.5119 3.5119 3.8150 3.8150 4.4488 4.4488 4.6467 4.6467 7.0061 7.0061 8.3554 8.3554 9.8204 9.8204 16.9200 16.9200 17.9573 17.9573 20.0259 20.0259 23.4921 23.4921 k = 0.4077 0.2354 0.5055 ( 931 PWs) bands (ev): -6.1345 -6.1345 3.1698 3.1698 3.5415 3.5415 3.8345 3.8345 4.4542 4.4542 4.6582 4.6582 7.0277 7.0277 8.2612 8.2612 9.7768 9.7768 16.8721 16.8721 18.0672 18.0672 19.9525 19.9525 23.5213 23.5213 k = 0.4048 0.2337 0.5152 ( 931 PWs) bands (ev): -6.1366 -6.1366 3.1804 3.1804 3.5707 3.5707 3.8532 3.8532 4.4601 4.4601 4.6703 4.6703 7.0500 7.0500 8.1695 8.1695 9.7331 9.7331 16.8189 16.8189 18.1811 18.1811 19.8827 19.8827 23.5493 23.5493 k = 0.4018 0.2320 0.5249 ( 931 PWs) bands (ev): -6.1387 -6.1387 3.1903 3.1903 3.5995 3.5995 3.8713 3.8713 4.4664 4.4664 4.6830 4.6830 7.0727 7.0727 8.0810 8.0810 9.6892 9.6892 16.7622 16.7622 18.2973 18.2973 19.8166 19.8166 23.5760 23.5760 k = 0.3988 0.2303 0.5346 ( 933 PWs) bands (ev): -6.1409 -6.1409 3.1995 3.1995 3.6277 3.6277 3.8886 3.8886 4.4730 4.4730 4.6959 4.6959 7.0952 7.0952 7.9964 7.9964 9.6454 9.6454 16.7030 16.7030 18.4147 18.4147 19.7542 19.7542 23.6015 23.6015 k = 0.3958 0.2285 0.5443 ( 931 PWs) bands (ev): -6.1431 -6.1431 3.2082 3.2082 3.6553 3.6553 3.9052 3.9052 4.4801 4.4801 4.7092 4.7092 7.1167 7.1167 7.9169 7.9169 9.6017 9.6017 16.6421 16.6421 18.5324 18.5324 19.6954 19.6954 23.6256 23.6256 k = 0.3929 0.2268 0.5541 ( 931 PWs) bands (ev): -6.1454 -6.1454 3.2162 3.2162 3.6821 3.6821 3.9211 3.9211 4.4874 4.4874 4.7224 4.7224 7.1361 7.1361 7.8440 7.8440 9.5582 9.5582 16.5801 16.5801 18.6499 18.6499 19.6403 19.6403 23.6483 23.6483 k = 0.3899 0.2251 0.5638 ( 933 PWs) bands (ev): -6.1477 -6.1477 3.2237 3.2237 3.7077 3.7077 3.9363 3.9363 4.4947 4.4947 4.7356 4.7356 7.1514 7.1514 7.7795 7.7795 9.5150 9.5150 16.5175 16.5175 18.7665 18.7665 19.5889 19.5889 23.6697 23.6697 k = 0.3869 0.2234 0.5735 ( 935 PWs) bands (ev): -6.1502 -6.1502 3.2306 3.2306 3.7322 3.7322 3.9510 3.9510 4.5020 4.5020 4.7484 4.7484 7.1606 7.1606 7.7262 7.7262 9.4722 9.4722 16.4546 16.4546 18.8818 18.8818 19.5414 19.5414 23.6898 23.6898 k = 0.3839 0.2217 0.5832 ( 933 PWs) bands (ev): -6.1526 -6.1526 3.2370 3.2370 3.7554 3.7554 3.9654 3.9654 4.5093 4.5093 4.7608 4.7608 7.1608 7.1608 7.6869 7.6869 9.4298 9.4298 16.3919 16.3919 18.9948 18.9948 19.4983 19.4983 23.7087 23.7087 k = 0.3810 0.2199 0.5929 ( 933 PWs) bands (ev): -6.1552 -6.1552 3.2429 3.2429 3.7769 3.7769 3.9793 3.9793 4.5164 4.5164 4.7725 4.7725 7.1501 7.1501 7.6639 7.6639 9.3881 9.3881 16.3295 16.3295 19.1039 19.1039 19.4610 19.4610 23.7263 23.7263 k = 0.3780 0.2182 0.6027 ( 935 PWs) bands (ev): -6.1579 -6.1579 3.2484 3.2484 3.7967 3.7967 3.9930 3.9930 4.5231 4.5231 4.7831 4.7831 7.1283 7.1283 7.6576 7.6576 9.3469 9.3469 16.2679 16.2679 19.2039 19.2039 19.4342 19.4342 23.7427 23.7427 k = 0.3750 0.2165 0.6124 ( 937 PWs) bands (ev): -6.1607 -6.1607 3.2535 3.2535 3.8146 3.8146 4.0067 4.0067 4.5294 4.5294 4.7925 4.7925 7.0975 7.0975 7.6661 7.6661 9.3065 9.3065 16.2071 16.2071 19.2761 19.2761 19.4368 19.4368 23.7580 23.7580 k = 0.6250-0.0722 0.4082 ( 937 PWs) bands (ev): -6.1607 -6.1607 3.2535 3.2535 3.8146 3.8146 4.0067 4.0067 4.5294 4.5294 4.7925 4.7925 7.0975 7.0975 7.6661 7.6661 9.3065 9.3065 16.2071 16.2071 19.2761 19.2761 19.4368 19.4368 23.7580 23.7580 k = 0.6198-0.0812 0.4082 ( 937 PWs) bands (ev): -6.1658 -6.1658 3.2616 3.2616 3.8443 3.8443 4.0307 4.0307 4.5404 4.5404 4.8084 4.8084 7.0376 7.0376 7.6927 7.6927 9.2365 9.2365 16.1024 16.1024 19.3212 19.3212 19.5241 19.5241 23.7841 23.7841 k = 0.6146-0.0902 0.4082 ( 937 PWs) bands (ev): -6.1711 -6.1711 3.2687 3.2687 3.8741 3.8741 4.0551 4.0551 4.5523 4.5523 4.8249 4.8249 6.9780 6.9780 7.7199 7.7199 9.1667 9.1667 15.9992 15.9992 19.3283 19.3283 19.6504 19.6504 23.8104 23.8104 k = 0.6094-0.0992 0.4082 ( 933 PWs) bands (ev): -6.1765 -6.1765 3.2749 3.2749 3.9039 3.9039 4.0797 4.0797 4.5651 4.5651 4.8421 4.8421 6.9188 6.9188 7.7476 7.7476 9.0973 9.0973 15.8978 15.8978 19.3260 19.3260 19.7868 19.7868 23.8366 23.8366 k = 0.6042-0.1083 0.4082 ( 933 PWs) bands (ev): -6.1821 -6.1821 3.2800 3.2800 3.9335 3.9335 4.1044 4.1044 4.5786 4.5786 4.8597 4.8597 6.8602 6.8602 7.7757 7.7757 9.0286 9.0286 15.7984 15.7984 19.3212 19.3212 19.9259 19.9259 23.8624 23.8624 k = 0.5990-0.1173 0.4082 ( 938 PWs) bands (ev): -6.1877 -6.1877 3.2843 3.2843 3.9626 3.9626 4.1290 4.1290 4.5927 4.5927 4.8776 4.8776 6.8020 6.8020 7.8042 7.8042 8.9607 8.9607 15.7012 15.7012 19.3160 19.3160 20.0656 20.0656 23.8879 23.8879 k = 0.5938-0.1263 0.4082 ( 938 PWs) bands (ev): -6.1933 -6.1933 3.2875 3.2875 3.9915 3.9915 4.1537 4.1537 4.6077 4.6077 4.8959 4.8959 6.7448 6.7448 7.8328 7.8328 8.8939 8.8939 15.6065 15.6065 19.3107 19.3107 20.2049 20.2049 23.9126 23.9126 k = 0.5885-0.1353 0.4082 ( 944 PWs) bands (ev): -6.1989 -6.1989 3.2898 3.2898 4.0195 4.0195 4.1781 4.1781 4.6234 4.6234 4.9142 4.9142 6.6885 6.6885 7.8616 7.8616 8.8286 8.8286 15.5145 15.5145 19.3058 19.3058 20.3432 20.3432 23.9365 23.9365 k = 0.5833-0.1443 0.4082 ( 944 PWs) bands (ev): -6.2044 -6.2044 3.2914 3.2914 4.0470 4.0470 4.2024 4.2024 4.6399 4.6399 4.9327 4.9327 6.6332 6.6332 7.8903 7.8903 8.7649 8.7649 15.4254 15.4254 19.3012 19.3012 20.4802 20.4802 23.9594 23.9594 k = 0.5781-0.1534 0.4082 ( 944 PWs) bands (ev): -6.2098 -6.2098 3.2923 3.2923 4.0734 4.0734 4.2264 4.2264 4.6571 4.6571 4.9511 4.9511 6.5793 6.5793 7.9187 7.9187 8.7032 8.7032 15.3396 15.3396 19.2972 19.2972 20.6153 20.6153 23.9809 23.9809 k = 0.5729-0.1624 0.4082 ( 944 PWs) bands (ev): -6.2150 -6.2150 3.2925 3.2925 4.0987 4.0987 4.2499 4.2499 4.6747 4.6747 4.9694 4.9694 6.5268 6.5268 7.9467 7.9467 8.6437 8.6437 15.2574 15.2574 19.2935 19.2935 20.7482 20.7482 24.0009 24.0009 k = 0.5677-0.1714 0.4082 ( 944 PWs) bands (ev): -6.2200 -6.2200 3.2922 3.2922 4.1227 4.1227 4.2730 4.2730 4.6928 4.6928 4.9872 4.9872 6.4758 6.4758 7.9740 7.9740 8.5867 8.5867 15.1790 15.1790 19.2903 19.2903 20.8786 20.8786 24.0192 24.0192 k = 0.5625-0.1804 0.4082 ( 944 PWs) bands (ev): -6.2249 -6.2249 3.2915 3.2915 4.1451 4.1451 4.2955 4.2955 4.7111 4.7111 5.0046 5.0046 6.4268 6.4268 8.0005 8.0005 8.5325 8.5325 15.1048 15.1048 19.2874 19.2874 21.0057 21.0057 24.0353 24.0353 k = 0.5573-0.1894 0.4082 ( 944 PWs) bands (ev): -6.2294 -6.2294 3.2905 3.2905 4.1659 4.1659 4.3172 4.3172 4.7294 4.7294 5.0214 5.0214 6.3798 6.3798 8.0258 8.0258 8.4814 8.4814 15.0350 15.0350 19.2849 19.2849 21.1290 21.1290 24.0489 24.0489 k = 0.5521-0.1985 0.4082 ( 944 PWs) bands (ev): -6.2337 -6.2337 3.2891 3.2891 4.1849 4.1849 4.3381 4.3381 4.7476 4.7476 5.0374 5.0374 6.3352 6.3352 8.0498 8.0498 8.4337 8.4337 14.9699 14.9699 19.2827 19.2827 21.2480 21.2480 24.0595 24.0595 k = 0.5469-0.2075 0.4082 ( 950 PWs) bands (ev): -6.2376 -6.2376 3.2874 3.2874 4.2019 4.2019 4.3578 4.3578 4.7652 4.7652 5.0524 5.0524 6.2932 6.2932 8.0720 8.0720 8.3899 8.3899 14.9100 14.9100 19.2808 19.2808 21.3616 21.3616 24.0666 24.0666 k = 0.5417-0.2165 0.4082 ( 946 PWs) bands (ev): -6.2412 -6.2412 3.2859 3.2859 4.2173 4.2173 4.3766 4.3766 4.7824 4.7824 5.0666 5.0666 6.2542 6.2542 8.0923 8.0923 8.3502 8.3502 14.8554 14.8554 19.2792 19.2792 21.4694 21.4694 24.0694 24.0694 k = 0.5365-0.2255 0.4082 ( 946 PWs) bands (ev): -6.2444 -6.2444 3.2844 3.2844 4.2306 4.2306 4.3938 4.3938 4.7983 4.7983 5.0796 5.0796 6.2185 6.2185 8.1101 8.1101 8.3151 8.3151 14.8064 14.8064 19.2779 19.2779 21.5701 21.5701 24.0672 24.0672 k = 0.5312-0.2345 0.4082 ( 942 PWs) bands (ev): -6.2473 -6.2473 3.2830 3.2830 4.2421 4.2421 4.4096 4.4096 4.8131 4.8131 5.0914 5.0914 6.1865 6.1865 8.1249 8.1249 8.2852 8.2852 14.7634 14.7634 19.2768 19.2768 21.6623 21.6623 24.0596 24.0596 k = 0.5260-0.2436 0.4082 ( 938 PWs) bands (ev): -6.2497 -6.2497 3.2817 3.2817 4.2518 4.2518 4.4234 4.4234 4.8263 4.8263 5.1017 5.1017 6.1585 6.1585 8.1362 8.1362 8.2612 8.2612 14.7265 14.7265 19.2759 19.2759 21.7447 21.7447 24.0467 24.0467 k = 0.5208-0.2526 0.4082 ( 938 PWs) bands (ev): -6.2517 -6.2517 3.2805 3.2805 4.2596 4.2596 4.4349 4.4349 4.8374 4.8374 5.1103 5.1103 6.1349 6.1349 8.1433 8.1433 8.2436 8.2436 14.6960 14.6960 19.2751 19.2751 21.8157 21.8157 24.0298 24.0298 k = 0.5156-0.2616 0.4082 ( 934 PWs) bands (ev): -6.2533 -6.2533 3.2796 3.2796 4.2657 4.2657 4.4442 4.4442 4.8465 4.8465 5.1173 5.1173 6.1162 6.1162 8.1460 8.1460 8.2327 8.2327 14.6721 14.6721 19.2746 19.2746 21.8734 21.8734 24.0116 24.0116 k = 0.5104-0.2706 0.4082 ( 934 PWs) bands (ev): -6.2544 -6.2544 3.2789 3.2789 4.2699 4.2699 4.4509 4.4509 4.8530 4.8530 5.1224 5.1224 6.1025 6.1025 8.1457 8.1457 8.2272 8.2272 14.6549 14.6549 19.2742 19.2742 21.9161 21.9161 23.9954 23.9954 k = 0.5052-0.2797 0.4082 ( 934 PWs) bands (ev): -6.2551 -6.2551 3.2784 3.2784 4.2725 4.2725 4.4550 4.4550 4.8570 4.8570 5.1255 5.1255 6.0942 6.0942 8.1442 8.1442 8.2251 8.2251 14.6445 14.6445 19.2740 19.2740 21.9424 21.9424 23.9842 23.9842 k = 0.5000-0.2887 0.4082 ( 934 PWs) bands (ev): -6.2553 -6.2553 3.2783 3.2783 4.2733 4.2733 4.4564 4.4564 4.8584 4.8584 5.1265 5.1265 6.0914 6.0914 8.1436 8.1436 8.2246 8.2246 14.6411 14.6411 19.2739 19.2739 21.9513 21.9513 23.9802 23.9802 Writing output data file CdO.save init_run : 0.21s CPU 0.47s WALL ( 1 calls) electrons : 40.83s CPU 42.69s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.01s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 40.82s CPU 42.69s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 447 calls) cegterg : 37.90s CPU 38.76s WALL ( 474 calls) Called by sum_band: Called by *egterg: h_psi : 17.54s CPU 17.87s WALL ( 7663 calls) s_psi : 0.58s CPU 0.60s WALL ( 7663 calls) g_psi : 0.02s CPU 0.03s WALL ( 6742 calls) cdiaghg : 18.96s CPU 19.52s WALL ( 7189 calls) cegterg:over : 1.01s CPU 1.17s WALL ( 6742 calls) cegterg:upda : 0.82s CPU 0.81s WALL ( 6742 calls) cegterg:last : 0.48s CPU 0.45s WALL ( 1398 calls) cdiaghg:chol : 0.94s CPU 0.98s WALL ( 7189 calls) cdiaghg:inve : 0.31s CPU 0.33s WALL ( 7189 calls) cdiaghg:para : 1.27s CPU 1.27s WALL ( 14378 calls) Called by h_psi: h_psi:vloc : 16.17s CPU 16.38s WALL ( 7663 calls) h_psi:vnl : 1.35s CPU 1.46s WALL ( 7663 calls) add_vuspsi : 0.73s CPU 0.77s WALL ( 7663 calls) General routines calbec : 0.61s CPU 0.67s WALL ( 7663 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 14.64s CPU 14.70s WALL ( 452568 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.09s CPU 0.13s WALL ( 894 calls) Parallel routines fft_scatter : 8.27s CPU 8.33s WALL ( 452591 calls) PWSCF : 0m48.70s CPU 1m 8.82s WALL This run was terminated on: 16:54:57 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=