Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:53:15 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: ./ZrC.save/ 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 24 15 4 478 227 37 Max 25 16 5 481 239 42 Sum 877 547 163 17261 8363 1411 bravais-lattice index = 14 lattice parameter (alat) = 6.2573 a.u. unit-cell volume = 173.2421 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 8.00 number of Kohn-Sham states= 16 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.257336 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 Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 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 atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) C 4.00 12.01070 C( 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 0.2058823), 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 0.4558823), 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 0.0441177 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 0.0808824 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 0.0169491 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 0.4830508 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 0.4226190 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 0.6101190), 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 0.5476190), 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 0.4226190 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 0.6726190), 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: 17261 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 8363 G-vectors FFT dimensions: ( 30, 30, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 62, 16) NL pseudopotentials 0.01 Mb ( 31, 30) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.00 Mb ( 480) G-vector shells 0.00 Mb ( 168) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.06 Mb ( 62, 64) Each subspace H/S matrix 0.00 Mb ( 16, 16) Each matrix 0.01 Mb ( 30, 2, 16) The potential is recalculated from file : ./ZrC.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 1.0 secs Computing kpt #: 2 total cpu time spent up to now is 1.2 secs Computing kpt #: 3 total cpu time spent up to now is 1.2 secs Computing kpt #: 4 total cpu time spent up to now is 1.3 secs Computing kpt #: 5 total cpu time spent up to now is 1.3 secs Computing kpt #: 6 total cpu time spent up to now is 1.4 secs Computing kpt #: 7 total cpu time spent up to now is 1.4 secs Computing kpt #: 8 total cpu time spent up to now is 1.5 secs Computing kpt #: 9 total cpu time spent up to now is 1.5 secs Computing kpt #: 10 total cpu time spent up to now is 1.6 secs Computing kpt #: 11 total cpu time spent up to now is 1.6 secs Computing kpt #: 12 total cpu time spent up to now is 1.6 secs Computing kpt #: 13 total cpu time spent up to now is 1.7 secs Computing kpt #: 14 total cpu time spent up to now is 1.7 secs Computing kpt #: 15 total cpu time spent up to now is 1.8 secs Computing kpt #: 16 total cpu time spent up to now is 1.8 secs Computing kpt #: 17 total cpu time spent up to now is 1.9 secs Computing kpt #: 18 total cpu time spent up to now is 1.9 secs Computing kpt #: 19 total cpu time spent up to now is 2.0 secs Computing kpt #: 20 total cpu time spent up to now is 2.0 secs Computing kpt #: 21 total cpu time spent up to now is 2.0 secs Computing kpt #: 22 total cpu time spent up to now is 2.1 secs Computing kpt #: 23 total cpu time spent up to now is 2.1 secs Computing kpt #: 24 total cpu time spent up to now is 2.2 secs Computing kpt #: 25 total cpu time spent up to now is 2.2 secs Computing kpt #: 26 total cpu time spent up to now is 2.3 secs Computing kpt #: 27 total cpu time spent up to now is 2.3 secs Computing kpt #: 28 total cpu time spent up to now is 2.3 secs Computing kpt #: 29 total cpu time spent up to now is 2.4 secs Computing kpt #: 30 total cpu time spent up to now is 2.4 secs Computing kpt #: 31 total cpu time spent up to now is 2.5 secs Computing kpt #: 32 total cpu time spent up to now is 2.5 secs Computing kpt #: 33 total cpu time spent up to now is 2.6 secs Computing kpt #: 34 total cpu time spent up to now is 2.6 secs Computing kpt #: 35 total cpu time spent up to now is 2.7 secs Computing kpt #: 36 total cpu time spent up to now is 2.7 secs Computing kpt #: 37 total cpu time spent up to now is 2.7 secs Computing kpt #: 38 total cpu time spent up to now is 2.8 secs Computing kpt #: 39 total cpu time spent up to now is 2.8 secs Computing kpt #: 40 total cpu time spent up to now is 2.9 secs Computing kpt #: 41 total cpu time spent up to now is 2.9 secs Computing kpt #: 42 total cpu time spent up to now is 3.0 secs Computing kpt #: 43 total cpu time spent up to now is 3.0 secs Computing kpt #: 44 total cpu time spent up to now is 3.1 secs Computing kpt #: 45 total cpu time spent up to now is 3.1 secs Computing kpt #: 46 total cpu time spent up to now is 3.1 secs Computing kpt #: 47 total cpu time spent up to now is 3.2 secs Computing kpt #: 48 total cpu time spent up to now is 3.2 secs Computing kpt #: 49 total cpu time spent up to now is 3.3 secs Computing kpt #: 50 total cpu time spent up to now is 3.3 secs Computing kpt #: 51 total cpu time spent up to now is 3.4 secs Computing kpt #: 52 total cpu time spent up to now is 3.4 secs Computing kpt #: 53 total cpu time spent up to now is 3.5 secs Computing kpt #: 54 total cpu time spent up to now is 3.5 secs Computing kpt #: 55 total cpu time spent up to now is 3.6 secs Computing kpt #: 56 total cpu time spent up to now is 3.6 secs Computing kpt #: 57 total cpu time spent up to now is 3.7 secs Computing kpt #: 58 total cpu time spent up to now is 3.7 secs Computing kpt #: 59 total cpu time spent up to now is 3.8 secs Computing kpt #: 60 total cpu time spent up to now is 3.8 secs Computing kpt #: 61 total cpu time spent up to now is 3.9 secs Computing kpt #: 62 total cpu time spent up to now is 3.9 secs Computing kpt #: 63 total cpu time spent up to now is 4.0 secs Computing kpt #: 64 total cpu time spent up to now is 4.0 secs Computing kpt #: 65 total cpu time spent up to now is 4.1 secs Computing kpt #: 66 total cpu time spent up to now is 4.1 secs Computing kpt #: 67 total cpu time spent up to now is 4.2 secs Computing kpt #: 68 total cpu time spent up to now is 4.2 secs Computing kpt #: 69 total cpu time spent up to now is 4.3 secs Computing kpt #: 70 total cpu time spent up to now is 4.4 secs Computing kpt #: 71 total cpu time spent up to now is 4.4 secs Computing kpt #: 72 total cpu time spent up to now is 4.5 secs Computing kpt #: 73 total cpu time spent up to now is 4.5 secs Computing kpt #: 74 total cpu time spent up to now is 4.6 secs Computing kpt #: 75 total cpu time spent up to now is 4.6 secs Computing kpt #: 76 total cpu time spent up to now is 4.7 secs Computing kpt #: 77 total cpu time spent up to now is 4.7 secs Computing kpt #: 78 total cpu time spent up to now is 4.8 secs Computing kpt #: 79 total cpu time spent up to now is 4.9 secs Computing kpt #: 80 total cpu time spent up to now is 4.9 secs Computing kpt #: 81 total cpu time spent up to now is 5.0 secs Computing kpt #: 82 total cpu time spent up to now is 5.0 secs Computing kpt #: 83 total cpu time spent up to now is 5.1 secs Computing kpt #: 84 total cpu time spent up to now is 5.1 secs Computing kpt #: 85 total cpu time spent up to now is 5.2 secs Computing kpt #: 86 total cpu time spent up to now is 5.2 secs Computing kpt #: 87 total cpu time spent up to now is 5.3 secs Computing kpt #: 88 total cpu time spent up to now is 5.3 secs Computing kpt #: 89 total cpu time spent up to now is 5.4 secs Computing kpt #: 90 total cpu time spent up to now is 5.5 secs Computing kpt #: 91 total cpu time spent up to now is 5.5 secs Computing kpt #: 92 total cpu time spent up to now is 5.6 secs Computing kpt #: 93 total cpu time spent up to now is 5.7 secs Computing kpt #: 94 total cpu time spent up to now is 5.7 secs Computing kpt #: 95 total cpu time spent up to now is 5.8 secs Computing kpt #: 96 total cpu time spent up to now is 5.8 secs Computing kpt #: 97 total cpu time spent up to now is 5.9 secs Computing kpt #: 98 total cpu time spent up to now is 6.0 secs Computing kpt #: 99 total cpu time spent up to now is 6.0 secs Computing kpt #: 100 total cpu time spent up to now is 6.1 secs Computing kpt #: 101 total cpu time spent up to now is 6.2 secs Computing kpt #: 102 total cpu time spent up to now is 6.2 secs Computing kpt #: 103 total cpu time spent up to now is 6.3 secs Computing kpt #: 104 total cpu time spent up to now is 6.4 secs Computing kpt #: 105 total cpu time spent up to now is 6.5 secs Computing kpt #: 106 total cpu time spent up to now is 6.5 secs Computing kpt #: 107 total cpu time spent up to now is 6.6 secs Computing kpt #: 108 total cpu time spent up to now is 6.7 secs Computing kpt #: 109 total cpu time spent up to now is 6.8 secs Computing kpt #: 110 total cpu time spent up to now is 6.8 secs Computing kpt #: 111 total cpu time spent up to now is 6.9 secs Computing kpt #: 112 total cpu time spent up to now is 7.0 secs Computing kpt #: 113 total cpu time spent up to now is 7.0 secs Computing kpt #: 114 total cpu time spent up to now is 7.1 secs Computing kpt #: 115 total cpu time spent up to now is 7.2 secs Computing kpt #: 116 total cpu time spent up to now is 7.2 secs Computing kpt #: 117 total cpu time spent up to now is 7.3 secs Computing kpt #: 118 total cpu time spent up to now is 7.4 secs Computing kpt #: 119 total cpu time spent up to now is 7.5 secs Computing kpt #: 120 total cpu time spent up to now is 7.5 secs Computing kpt #: 121 total cpu time spent up to now is 7.6 secs Computing kpt #: 122 total cpu time spent up to now is 7.7 secs Computing kpt #: 123 total cpu time spent up to now is 7.7 secs Computing kpt #: 124 total cpu time spent up to now is 7.8 secs Computing kpt #: 125 total cpu time spent up to now is 7.9 secs Computing kpt #: 126 total cpu time spent up to now is 7.9 secs Computing kpt #: 127 total cpu time spent up to now is 8.0 secs Computing kpt #: 128 total cpu time spent up to now is 8.1 secs Computing kpt #: 129 total cpu time spent up to now is 8.2 secs Computing kpt #: 130 total cpu time spent up to now is 8.2 secs Computing kpt #: 131 total cpu time spent up to now is 8.3 secs Computing kpt #: 132 total cpu time spent up to now is 8.4 secs Computing kpt #: 133 total cpu time spent up to now is 8.4 secs Computing kpt #: 134 total cpu time spent up to now is 8.5 secs Computing kpt #: 135 total cpu time spent up to now is 8.6 secs Computing kpt #: 136 total cpu time spent up to now is 8.6 secs Computing kpt #: 137 total cpu time spent up to now is 8.7 secs Computing kpt #: 138 total cpu time spent up to now is 8.7 secs Computing kpt #: 139 total cpu time spent up to now is 8.8 secs Computing kpt #: 140 total cpu time spent up to now is 8.8 secs Computing kpt #: 141 total cpu time spent up to now is 8.9 secs Computing kpt #: 142 total cpu time spent up to now is 8.9 secs Computing kpt #: 143 total cpu time spent up to now is 9.0 secs Computing kpt #: 144 total cpu time spent up to now is 9.0 secs Computing kpt #: 145 total cpu time spent up to now is 9.1 secs Computing kpt #: 146 total cpu time spent up to now is 9.1 secs Computing kpt #: 147 total cpu time spent up to now is 9.2 secs Computing kpt #: 148 total cpu time spent up to now is 9.2 secs Computing kpt #: 149 total cpu time spent up to now is 9.2 secs Computing kpt #: 150 total cpu time spent up to now is 9.3 secs Computing kpt #: 151 total cpu time spent up to now is 9.3 secs Computing kpt #: 152 total cpu time spent up to now is 9.4 secs Computing kpt #: 153 total cpu time spent up to now is 9.4 secs Computing kpt #: 154 total cpu time spent up to now is 9.5 secs Computing kpt #: 155 total cpu time spent up to now is 9.5 secs Computing kpt #: 156 total cpu time spent up to now is 9.6 secs Computing kpt #: 157 total cpu time spent up to now is 9.6 secs Computing kpt #: 158 total cpu time spent up to now is 9.7 secs Computing kpt #: 159 total cpu time spent up to now is 9.7 secs Computing kpt #: 160 total cpu time spent up to now is 9.7 secs Computing kpt #: 161 total cpu time spent up to now is 9.8 secs Computing kpt #: 162 total cpu time spent up to now is 9.8 secs Computing kpt #: 163 total cpu time spent up to now is 9.9 secs Computing kpt #: 164 total cpu time spent up to now is 9.9 secs Computing kpt #: 165 total cpu time spent up to now is 10.0 secs Computing kpt #: 166 total cpu time spent up to now is 10.0 secs Computing kpt #: 167 total cpu time spent up to now is 10.1 secs Computing kpt #: 168 total cpu time spent up to now is 10.1 secs Computing kpt #: 169 total cpu time spent up to now is 10.1 secs Computing kpt #: 170 total cpu time spent up to now is 10.2 secs Computing kpt #: 171 total cpu time spent up to now is 10.2 secs Computing kpt #: 172 total cpu time spent up to now is 10.3 secs Computing kpt #: 173 total cpu time spent up to now is 10.3 secs Computing kpt #: 174 total cpu time spent up to now is 10.4 secs Computing kpt #: 175 total cpu time spent up to now is 10.4 secs Computing kpt #: 176 total cpu time spent up to now is 10.5 secs Computing kpt #: 177 total cpu time spent up to now is 10.5 secs Computing kpt #: 178 total cpu time spent up to now is 10.5 secs Computing kpt #: 179 total cpu time spent up to now is 10.6 secs Computing kpt #: 180 total cpu time spent up to now is 10.6 secs Computing kpt #: 181 total cpu time spent up to now is 10.7 secs Computing kpt #: 182 total cpu time spent up to now is 10.7 secs Computing kpt #: 183 total cpu time spent up to now is 10.8 secs Computing kpt #: 184 total cpu time spent up to now is 10.8 secs Computing kpt #: 185 total cpu time spent up to now is 10.9 secs Computing kpt #: 186 total cpu time spent up to now is 10.9 secs Computing kpt #: 187 total cpu time spent up to now is 11.0 secs Computing kpt #: 188 total cpu time spent up to now is 11.0 secs Computing kpt #: 189 total cpu time spent up to now is 11.0 secs Computing kpt #: 190 total cpu time spent up to now is 11.1 secs Computing kpt #: 191 total cpu time spent up to now is 11.1 secs Computing kpt #: 192 total cpu time spent up to now is 11.2 secs Computing kpt #: 193 total cpu time spent up to now is 11.2 secs Computing kpt #: 194 total cpu time spent up to now is 11.3 secs Computing kpt #: 195 total cpu time spent up to now is 11.3 secs Computing kpt #: 196 total cpu time spent up to now is 11.4 secs Computing kpt #: 197 total cpu time spent up to now is 11.4 secs Computing kpt #: 198 total cpu time spent up to now is 11.5 secs Computing kpt #: 199 total cpu time spent up to now is 11.5 secs Computing kpt #: 200 total cpu time spent up to now is 11.6 secs Computing kpt #: 201 total cpu time spent up to now is 11.7 secs Computing kpt #: 202 total cpu time spent up to now is 11.7 secs Computing kpt #: 203 total cpu time spent up to now is 11.8 secs Computing kpt #: 204 total cpu time spent up to now is 11.8 secs Computing kpt #: 205 total cpu time spent up to now is 11.8 secs Computing kpt #: 206 total cpu time spent up to now is 11.9 secs Computing kpt #: 207 total cpu time spent up to now is 11.9 secs Computing kpt #: 208 total cpu time spent up to now is 12.0 secs Computing kpt #: 209 total cpu time spent up to now is 12.0 secs Computing kpt #: 210 total cpu time spent up to now is 12.1 secs Computing kpt #: 211 total cpu time spent up to now is 12.1 secs Computing kpt #: 212 total cpu time spent up to now is 12.2 secs Computing kpt #: 213 total cpu time spent up to now is 12.2 secs Computing kpt #: 214 total cpu time spent up to now is 12.3 secs Computing kpt #: 215 total cpu time spent up to now is 12.3 secs Computing kpt #: 216 total cpu time spent up to now is 12.4 secs Computing kpt #: 217 total cpu time spent up to now is 12.5 secs Computing kpt #: 218 total cpu time spent up to now is 12.5 secs Computing kpt #: 219 total cpu time spent up to now is 12.7 secs Computing kpt #: 220 total cpu time spent up to now is 12.8 secs Computing kpt #: 221 total cpu time spent up to now is 12.8 secs Computing kpt #: 222 total cpu time spent up to now is 12.9 secs Computing kpt #: 223 total cpu time spent up to now is 12.9 secs Computing kpt #: 224 total cpu time spent up to now is 13.0 secs Computing kpt #: 225 total cpu time spent up to now is 13.0 secs Computing kpt #: 226 total cpu time spent up to now is 13.1 secs Computing kpt #: 227 total cpu time spent up to now is 13.1 secs Computing kpt #: 228 total cpu time spent up to now is 13.2 secs Computing kpt #: 229 total cpu time spent up to now is 13.2 secs Computing kpt #: 230 total cpu time spent up to now is 13.3 secs Computing kpt #: 231 total cpu time spent up to now is 13.4 secs Computing kpt #: 232 total cpu time spent up to now is 13.4 secs Computing kpt #: 233 total cpu time spent up to now is 13.5 secs Computing kpt #: 234 total cpu time spent up to now is 13.5 secs Computing kpt #: 235 total cpu time spent up to now is 13.6 secs Computing kpt #: 236 total cpu time spent up to now is 13.7 secs Computing kpt #: 237 total cpu time spent up to now is 13.8 secs Computing kpt #: 238 total cpu time spent up to now is 13.8 secs Computing kpt #: 239 total cpu time spent up to now is 13.9 secs Computing kpt #: 240 total cpu time spent up to now is 14.0 secs Computing kpt #: 241 total cpu time spent up to now is 14.1 secs Computing kpt #: 242 total cpu time spent up to now is 14.2 secs Computing kpt #: 243 total cpu time spent up to now is 14.3 secs Computing kpt #: 244 total cpu time spent up to now is 14.3 secs Computing kpt #: 245 total cpu time spent up to now is 14.4 secs Computing kpt #: 246 total cpu time spent up to now is 14.5 secs Computing kpt #: 247 total cpu time spent up to now is 14.6 secs Computing kpt #: 248 total cpu time spent up to now is 14.7 secs Computing kpt #: 249 total cpu time spent up to now is 14.8 secs Computing kpt #: 250 total cpu time spent up to now is 14.8 secs Computing kpt #: 251 total cpu time spent up to now is 14.9 secs Computing kpt #: 252 total cpu time spent up to now is 15.0 secs Computing kpt #: 253 total cpu time spent up to now is 15.0 secs Computing kpt #: 254 total cpu time spent up to now is 15.1 secs Computing kpt #: 255 total cpu time spent up to now is 15.2 secs Computing kpt #: 256 total cpu time spent up to now is 15.3 secs Computing kpt #: 257 total cpu time spent up to now is 15.3 secs Computing kpt #: 258 total cpu time spent up to now is 15.4 secs Computing kpt #: 259 total cpu time spent up to now is 15.4 secs Computing kpt #: 260 total cpu time spent up to now is 15.5 secs Computing kpt #: 261 total cpu time spent up to now is 15.6 secs Computing kpt #: 262 total cpu time spent up to now is 15.6 secs Computing kpt #: 263 total cpu time spent up to now is 15.7 secs Computing kpt #: 264 total cpu time spent up to now is 15.7 secs Computing kpt #: 265 total cpu time spent up to now is 15.8 secs Computing kpt #: 266 total cpu time spent up to now is 15.8 secs Computing kpt #: 267 total cpu time spent up to now is 15.9 secs Computing kpt #: 268 total cpu time spent up to now is 16.0 secs Computing kpt #: 269 total cpu time spent up to now is 16.0 secs Computing kpt #: 270 total cpu time spent up to now is 16.1 secs Computing kpt #: 271 total cpu time spent up to now is 16.2 secs Computing kpt #: 272 total cpu time spent up to now is 16.2 secs Computing kpt #: 273 total cpu time spent up to now is 16.3 secs Computing kpt #: 274 total cpu time spent up to now is 16.4 secs Computing kpt #: 275 total cpu time spent up to now is 16.4 secs Computing kpt #: 276 total cpu time spent up to now is 16.5 secs Computing kpt #: 277 total cpu time spent up to now is 16.6 secs Computing kpt #: 278 total cpu time spent up to now is 16.6 secs Computing kpt #: 279 total cpu time spent up to now is 16.7 secs Computing kpt #: 280 total cpu time spent up to now is 16.8 secs Computing kpt #: 281 total cpu time spent up to now is 16.8 secs Computing kpt #: 282 total cpu time spent up to now is 16.9 secs Computing kpt #: 283 total cpu time spent up to now is 17.0 secs Computing kpt #: 284 total cpu time spent up to now is 17.0 secs Computing kpt #: 285 total cpu time spent up to now is 17.1 secs Computing kpt #: 286 total cpu time spent up to now is 17.2 secs Computing kpt #: 287 total cpu time spent up to now is 17.2 secs Computing kpt #: 288 total cpu time spent up to now is 17.3 secs Computing kpt #: 289 total cpu time spent up to now is 17.4 secs Computing kpt #: 290 total cpu time spent up to now is 17.4 secs Computing kpt #: 291 total cpu time spent up to now is 17.5 secs Computing kpt #: 292 total cpu time spent up to now is 17.6 secs Computing kpt #: 293 total cpu time spent up to now is 17.6 secs Computing kpt #: 294 total cpu time spent up to now is 17.7 secs Computing kpt #: 295 total cpu time spent up to now is 17.7 secs Computing kpt #: 296 total cpu time spent up to now is 17.8 secs Computing kpt #: 297 total cpu time spent up to now is 17.9 secs Computing kpt #: 298 total cpu time spent up to now is 17.9 secs Computing kpt #: 299 total cpu time spent up to now is 18.0 secs Computing kpt #: 300 total cpu time spent up to now is 18.1 secs Computing kpt #: 301 total cpu time spent up to now is 18.1 secs Computing kpt #: 302 total cpu time spent up to now is 18.2 secs Computing kpt #: 303 total cpu time spent up to now is 18.3 secs Computing kpt #: 304 total cpu time spent up to now is 18.4 secs Computing kpt #: 305 total cpu time spent up to now is 18.4 secs Computing kpt #: 306 total cpu time spent up to now is 18.5 secs Computing kpt #: 307 total cpu time spent up to now is 18.6 secs Computing kpt #: 308 total cpu time spent up to now is 18.7 secs Computing kpt #: 309 total cpu time spent up to now is 18.7 secs Computing kpt #: 310 total cpu time spent up to now is 18.8 secs Computing kpt #: 311 total cpu time spent up to now is 18.9 secs Computing kpt #: 312 total cpu time spent up to now is 18.9 secs Computing kpt #: 313 total cpu time spent up to now is 19.0 secs Computing kpt #: 314 total cpu time spent up to now is 19.1 secs Computing kpt #: 315 total cpu time spent up to now is 19.2 secs Computing kpt #: 316 total cpu time spent up to now is 19.2 secs Computing kpt #: 317 total cpu time spent up to now is 19.3 secs Computing kpt #: 318 total cpu time spent up to now is 19.4 secs Computing kpt #: 319 total cpu time spent up to now is 19.5 secs Computing kpt #: 320 total cpu time spent up to now is 19.5 secs Computing kpt #: 321 total cpu time spent up to now is 19.6 secs Computing kpt #: 322 total cpu time spent up to now is 19.7 secs Computing kpt #: 323 total cpu time spent up to now is 19.7 secs Computing kpt #: 324 total cpu time spent up to now is 19.8 secs Computing kpt #: 325 total cpu time spent up to now is 19.9 secs Computing kpt #: 326 total cpu time spent up to now is 20.0 secs Computing kpt #: 327 total cpu time spent up to now is 20.0 secs Computing kpt #: 328 total cpu time spent up to now is 20.1 secs Computing kpt #: 329 total cpu time spent up to now is 20.2 secs Computing kpt #: 330 total cpu time spent up to now is 20.3 secs Computing kpt #: 331 total cpu time spent up to now is 20.3 secs Computing kpt #: 332 total cpu time spent up to now is 20.4 secs Computing kpt #: 333 total cpu time spent up to now is 20.5 secs Computing kpt #: 334 total cpu time spent up to now is 20.6 secs Computing kpt #: 335 total cpu time spent up to now is 20.6 secs Computing kpt #: 336 total cpu time spent up to now is 20.7 secs Computing kpt #: 337 total cpu time spent up to now is 20.8 secs Computing kpt #: 338 total cpu time spent up to now is 20.9 secs Computing kpt #: 339 total cpu time spent up to now is 20.9 secs Computing kpt #: 340 total cpu time spent up to now is 21.0 secs Computing kpt #: 341 total cpu time spent up to now is 21.1 secs Computing kpt #: 342 total cpu time spent up to now is 21.2 secs Computing kpt #: 343 total cpu time spent up to now is 21.2 secs Computing kpt #: 344 total cpu time spent up to now is 21.3 secs Computing kpt #: 345 total cpu time spent up to now is 21.4 secs Computing kpt #: 346 total cpu time spent up to now is 21.4 secs Computing kpt #: 347 total cpu time spent up to now is 21.5 secs Computing kpt #: 348 total cpu time spent up to now is 21.6 secs Computing kpt #: 349 total cpu time spent up to now is 21.6 secs Computing kpt #: 350 total cpu time spent up to now is 21.7 secs Computing kpt #: 351 total cpu time spent up to now is 21.8 secs Computing kpt #: 352 total cpu time spent up to now is 21.9 secs Computing kpt #: 353 total cpu time spent up to now is 21.9 secs Computing kpt #: 354 total cpu time spent up to now is 22.0 secs Computing kpt #: 355 total cpu time spent up to now is 22.1 secs Computing kpt #: 356 total cpu time spent up to now is 22.1 secs Computing kpt #: 357 total cpu time spent up to now is 22.2 secs Computing kpt #: 358 total cpu time spent up to now is 22.3 secs Computing kpt #: 359 total cpu time spent up to now is 22.3 secs Computing kpt #: 360 total cpu time spent up to now is 22.4 secs Computing kpt #: 361 total cpu time spent up to now is 22.5 secs Computing kpt #: 362 total cpu time spent up to now is 22.6 secs Computing kpt #: 363 total cpu time spent up to now is 22.6 secs Computing kpt #: 364 total cpu time spent up to now is 22.7 secs Computing kpt #: 365 total cpu time spent up to now is 22.8 secs Computing kpt #: 366 total cpu time spent up to now is 22.9 secs Computing kpt #: 367 total cpu time spent up to now is 22.9 secs Computing kpt #: 368 total cpu time spent up to now is 23.0 secs Computing kpt #: 369 total cpu time spent up to now is 23.1 secs Computing kpt #: 370 total cpu time spent up to now is 23.1 secs Computing kpt #: 371 total cpu time spent up to now is 23.2 secs Computing kpt #: 372 total cpu time spent up to now is 23.3 secs Computing kpt #: 373 total cpu time spent up to now is 23.3 secs Computing kpt #: 374 total cpu time spent up to now is 23.4 secs Computing kpt #: 375 total cpu time spent up to now is 23.4 secs Computing kpt #: 376 total cpu time spent up to now is 23.5 secs Computing kpt #: 377 total cpu time spent up to now is 23.6 secs Computing kpt #: 378 total cpu time spent up to now is 23.6 secs Computing kpt #: 379 total cpu time spent up to now is 23.7 secs Computing kpt #: 380 total cpu time spent up to now is 23.7 secs Computing kpt #: 381 total cpu time spent up to now is 23.8 secs Computing kpt #: 382 total cpu time spent up to now is 23.8 secs Computing kpt #: 383 total cpu time spent up to now is 23.9 secs Computing kpt #: 384 total cpu time spent up to now is 24.0 secs Computing kpt #: 385 total cpu time spent up to now is 24.0 secs Computing kpt #: 386 total cpu time spent up to now is 24.1 secs Computing kpt #: 387 total cpu time spent up to now is 24.2 secs Computing kpt #: 388 total cpu time spent up to now is 24.2 secs Computing kpt #: 389 total cpu time spent up to now is 24.3 secs Computing kpt #: 390 total cpu time spent up to now is 24.4 secs Computing kpt #: 391 total cpu time spent up to now is 24.4 secs Computing kpt #: 392 total cpu time spent up to now is 24.5 secs Computing kpt #: 393 total cpu time spent up to now is 24.6 secs Computing kpt #: 394 total cpu time spent up to now is 24.6 secs Computing kpt #: 395 total cpu time spent up to now is 24.7 secs Computing kpt #: 396 total cpu time spent up to now is 24.8 secs Computing kpt #: 397 total cpu time spent up to now is 24.8 secs Computing kpt #: 398 total cpu time spent up to now is 24.9 secs Computing kpt #: 399 total cpu time spent up to now is 25.0 secs Computing kpt #: 400 total cpu time spent up to now is 25.1 secs Computing kpt #: 401 total cpu time spent up to now is 25.1 secs Computing kpt #: 402 total cpu time spent up to now is 25.2 secs Computing kpt #: 403 total cpu time spent up to now is 25.3 secs Computing kpt #: 404 total cpu time spent up to now is 25.3 secs Computing kpt #: 405 total cpu time spent up to now is 25.4 secs Computing kpt #: 406 total cpu time spent up to now is 25.5 secs Computing kpt #: 407 total cpu time spent up to now is 25.5 secs Computing kpt #: 408 total cpu time spent up to now is 25.6 secs Computing kpt #: 409 total cpu time spent up to now is 25.7 secs Computing kpt #: 410 total cpu time spent up to now is 25.7 secs Computing kpt #: 411 total cpu time spent up to now is 25.8 secs Computing kpt #: 412 total cpu time spent up to now is 25.8 secs Computing kpt #: 413 total cpu time spent up to now is 25.9 secs Computing kpt #: 414 total cpu time spent up to now is 26.0 secs Computing kpt #: 415 total cpu time spent up to now is 26.0 secs Computing kpt #: 416 total cpu time spent up to now is 26.1 secs Computing kpt #: 417 total cpu time spent up to now is 26.2 secs Computing kpt #: 418 total cpu time spent up to now is 26.2 secs Computing kpt #: 419 total cpu time spent up to now is 26.3 secs Computing kpt #: 420 total cpu time spent up to now is 26.4 secs Computing kpt #: 421 total cpu time spent up to now is 26.5 secs Computing kpt #: 422 total cpu time spent up to now is 26.5 secs Computing kpt #: 423 total cpu time spent up to now is 26.6 secs Computing kpt #: 424 total cpu time spent up to now is 26.7 secs Computing kpt #: 425 total cpu time spent up to now is 26.7 secs Computing kpt #: 426 total cpu time spent up to now is 26.8 secs Computing kpt #: 427 total cpu time spent up to now is 26.9 secs Computing kpt #: 428 total cpu time spent up to now is 26.9 secs Computing kpt #: 429 total cpu time spent up to now is 27.0 secs Computing kpt #: 430 total cpu time spent up to now is 27.0 secs Computing kpt #: 431 total cpu time spent up to now is 27.1 secs Computing kpt #: 432 total cpu time spent up to now is 27.2 secs Computing kpt #: 433 total cpu time spent up to now is 27.2 secs Computing kpt #: 434 total cpu time spent up to now is 27.3 secs Computing kpt #: 435 total cpu time spent up to now is 27.3 secs Computing kpt #: 436 total cpu time spent up to now is 27.4 secs Computing kpt #: 437 total cpu time spent up to now is 27.4 secs Computing kpt #: 438 total cpu time spent up to now is 27.5 secs Computing kpt #: 439 total cpu time spent up to now is 27.5 secs Computing kpt #: 440 total cpu time spent up to now is 27.6 secs Computing kpt #: 441 total cpu time spent up to now is 27.7 secs Computing kpt #: 442 total cpu time spent up to now is 27.7 secs Computing kpt #: 443 total cpu time spent up to now is 27.8 secs Computing kpt #: 444 total cpu time spent up to now is 27.8 secs Computing kpt #: 445 total cpu time spent up to now is 27.9 secs Computing kpt #: 446 total cpu time spent up to now is 27.9 secs Computing kpt #: 447 total cpu time spent up to now is 28.0 secs ethr = 1.25E-07, avg # of iterations = 14.3 total cpu time spent up to now is 28.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1037 PWs) bands (ev): -1.6125 -1.6125 11.0139 11.0139 11.0139 11.0139 11.0870 11.0870 11.3921 11.3921 11.4567 11.4567 11.4567 11.4567 12.7516 12.7516 k = 0.0074-0.0042 0.0060 ( 1021 PWs) bands (ev): -1.6110 -1.6110 10.9967 10.9967 11.0067 11.0067 11.0746 11.0746 11.3826 11.3826 11.4524 11.4524 11.4764 11.4764 12.7524 12.7525 k = 0.0147-0.0085 0.0120 ( 1013 PWs) bands (ev): -1.6065 -1.6065 10.9528 10.9528 10.9805 10.9805 11.0500 11.0500 11.3043 11.3043 11.4903 11.4903 11.5277 11.5277 12.7548 12.7548 k = 0.0221-0.0127 0.0180 ( 1006 PWs) bands (ev): -1.5989 -1.5989 10.8945 10.8945 10.9326 10.9326 11.0286 11.0286 11.1753 11.1753 11.5576 11.5576 11.5979 11.5979 12.7587 12.7587 k = 0.0294-0.0170 0.0240 ( 1010 PWs) bands (ev): -1.5884 -1.5884 10.8297 10.8297 10.8725 10.8725 11.0090 11.0090 11.0197 11.0197 11.6376 11.6376 11.6789 11.6789 12.7641 12.7641 k = 0.0368-0.0212 0.0300 ( 1014 PWs) bands (ev): -1.5749 -1.5749 10.7623 10.7623 10.8080 10.8080 10.8492 10.8492 10.9874 10.9874 11.7250 11.7250 11.7667 11.7667 12.7711 12.7711 k = 0.0441-0.0255 0.0360 ( 1010 PWs) bands (ev): -1.5585 -1.5585 10.6661 10.6661 10.6984 10.6984 10.7424 10.7424 10.9627 10.9627 11.8175 11.8175 11.8594 11.8594 12.7796 12.7796 k = 0.0515-0.0297 0.0420 ( 1010 PWs) bands (ev): -1.5392 -1.5392 10.4835 10.4835 10.6301 10.6301 10.6773 10.6773 10.9344 10.9344 11.9137 11.9137 11.9556 11.9556 12.7897 12.7897 k = 0.0588-0.0340 0.0480 ( 1010 PWs) bands (ev): -1.5171 -1.5171 10.2967 10.2967 10.5650 10.5650 10.6135 10.6135 10.9025 10.9025 12.0129 12.0129 12.0548 12.0548 12.8013 12.8013 k = 0.0662-0.0382 0.0540 ( 1010 PWs) bands (ev): -1.4922 -1.4922 10.1090 10.1090 10.5019 10.5019 10.5515 10.5515 10.8671 10.8671 12.1147 12.1147 12.1566 12.1566 12.8144 12.8144 k = 0.0735-0.0425 0.0600 ( 1010 PWs) bands (ev): -1.4647 -1.4647 9.9217 9.9217 10.4410 10.4410 10.4916 10.4916 10.8283 10.8283 12.2186 12.2186 12.2604 12.2604 12.8291 12.8291 k = 0.0809-0.0467 0.0660 ( 1010 PWs) bands (ev): -1.4346 -1.4346 9.7357 9.7357 10.3823 10.3823 10.4339 10.4339 10.7863 10.7863 12.3245 12.3245 12.3662 12.3662 12.8453 12.8453 k = 0.0882-0.0509 0.0720 ( 1010 PWs) bands (ev): -1.4020 -1.4020 9.5516 9.5516 10.3260 10.3260 10.3787 10.3787 10.7412 10.7412 12.4321 12.4321 12.4735 12.4735 12.8630 12.8630 k = 0.0956-0.0552 0.0780 ( 1010 PWs) bands (ev): -1.3669 -1.3669 9.3699 9.3699 10.2723 10.2723 10.3259 10.3259 10.6933 10.6933 12.5411 12.5411 12.5822 12.5822 12.8825 12.8825 k = 0.1029-0.0594 0.0841 ( 1006 PWs) bands (ev): -1.3296 -1.3296 9.1913 9.1913 10.2210 10.2210 10.2757 10.2757 10.6427 10.6427 12.6515 12.6515 12.6915 12.6915 12.9039 12.9039 k = 0.1103-0.0637 0.0901 ( 1006 PWs) bands (ev): -1.2901 -1.2901 9.0160 9.0160 10.1724 10.1724 10.2281 10.2281 10.5897 10.5897 12.7630 12.7630 12.8002 12.8002 12.9285 12.9285 k = 0.1176-0.0679 0.0961 ( 1006 PWs) bands (ev): -1.2487 -1.2487 8.8443 8.8443 10.1263 10.1263 10.1831 10.1831 10.5345 10.5345 12.8754 12.8754 12.8997 12.8997 12.9646 12.9646 k = 0.1250-0.0722 0.1021 ( 1010 PWs) bands (ev): -1.2053 -1.2053 8.6768 8.6768 10.0829 10.0829 10.1408 10.1408 10.4773 10.4773 12.9559 12.9559 12.9885 12.9885 13.0460 13.0460 k = 0.1324-0.0764 0.1081 ( 1010 PWs) bands (ev): -1.1603 -1.1603 8.5136 8.5136 10.0422 10.0422 10.1012 10.1012 10.4184 10.4184 12.9873 12.9873 13.1022 13.1022 13.1542 13.1542 k = 0.1397-0.0807 0.1141 ( 1010 PWs) bands (ev): -1.1137 -1.1137 8.3550 8.3550 10.0041 10.0041 10.0642 10.0642 10.3579 10.3579 13.0158 13.0158 13.2163 13.2163 13.2668 13.2668 k = 0.1471-0.0849 0.1201 ( 1010 PWs) bands (ev): -1.0657 -1.0657 8.2014 8.2014 9.9686 9.9686 10.0299 10.0299 10.2960 10.2960 13.0445 13.0445 13.3304 13.3304 13.3807 13.3807 k = 0.1544-0.0891 0.1261 ( 1018 PWs) bands (ev): -1.0167 -1.0167 8.0529 8.0529 9.9359 9.9359 9.9982 9.9982 10.2330 10.2330 13.0738 13.0738 13.4445 13.4445 13.4949 13.4949 k = 0.1618-0.0934 0.1321 ( 1018 PWs) bands (ev): -0.9667 -0.9667 7.9100 7.9100 9.9057 9.9057 9.9691 9.9691 10.1691 10.1691 13.1041 13.1041 13.5584 13.5584 13.6091 13.6091 k = 0.1691-0.0976 0.1381 ( 1018 PWs) bands (ev): -0.9159 -0.9159 7.7727 7.7727 9.8782 9.8782 9.9425 9.9425 10.1046 10.1046 13.1353 13.1353 13.6717 13.6717 13.7230 13.7230 k = 0.1765-0.1019 0.1441 ( 1018 PWs) bands (ev): -0.8647 -0.8647 7.6415 7.6415 9.8533 9.8533 9.9183 9.9183 10.0397 10.0397 13.1674 13.1674 13.7843 13.7843 13.8362 13.8362 k = 0.1838-0.1061 0.1501 ( 1018 PWs) bands (ev): -0.8133 -0.8133 7.5165 7.5165 9.8309 9.8309 9.8958 9.8958 9.9753 9.9753 13.2004 13.2004 13.8959 13.8959 13.9486 13.9486 k = 0.1912-0.1104 0.1561 ( 1010 PWs) bands (ev): -0.7619 -0.7619 7.3981 7.3981 9.8111 9.8111 9.8722 9.8722 9.9143 9.9143 13.2343 13.2343 14.0062 14.0062 14.0598 14.0598 k = 0.1985-0.1146 0.1621 ( 1010 PWs) bands (ev): -0.7108 -0.7108 7.2864 7.2864 9.7939 9.7939 9.8301 9.8301 9.8742 9.8742 13.2689 13.2689 14.1151 14.1151 14.1696 14.1696 k = 0.2059-0.1189 0.1681 ( 1010 PWs) bands (ev): -0.6602 -0.6602 7.1817 7.1817 9.7688 9.7688 9.7791 9.7791 9.8560 9.8560 13.3043 13.3043 14.2221 14.2221 14.2776 14.2776 k = 0.2132-0.1231 0.1741 ( 1018 PWs) bands (ev): -0.6105 -0.6105 7.0843 7.0843 9.7042 9.7042 9.7667 9.7667 9.8436 9.8436 13.3403 13.3403 14.3272 14.3272 14.3837 14.3837 k = 0.2206-0.1274 0.1801 ( 1018 PWs) bands (ev): -0.5619 -0.5619 6.9943 6.9943 9.6391 9.6391 9.7568 9.7568 9.8345 9.8345 13.3770 13.3770 14.4299 14.4299 14.4875 14.4875 k = 0.2279-0.1316 0.1861 ( 1022 PWs) bands (ev): -0.5146 -0.5146 6.9120 6.9120 9.5741 9.5741 9.7491 9.7491 9.8280 9.8280 13.4143 13.4143 14.5300 14.5300 14.5888 14.5888 k = 0.2353-0.1358 0.1921 ( 1022 PWs) bands (ev): -0.4690 -0.4690 6.8376 6.8376 9.5097 9.5097 9.7438 9.7438 9.8239 9.8239 13.4520 13.4520 14.6273 14.6273 14.6873 14.6873 k = 0.2426-0.1401 0.1981 ( 1022 PWs) bands (ev): -0.4253 -0.4253 6.7712 6.7712 9.4458 9.4458 9.7407 9.7407 9.8222 9.8222 13.4902 13.4902 14.7214 14.7214 14.7828 14.7828 k = 0.2500-0.1443 0.2041 ( 1022 PWs) bands (ev): -0.3838 -0.3838 6.7130 6.7130 9.3828 9.3828 9.7397 9.7397 9.8227 9.8227 13.5287 13.5287 14.8122 14.8122 14.8748 14.8748 k = 0.2574-0.1486 0.2101 ( 1022 PWs) bands (ev): -0.3446 -0.3446 6.6631 6.6631 9.3206 9.3206 9.7409 9.7409 9.8253 9.8253 13.5674 13.5674 14.8993 14.8993 14.9633 14.9633 k = 0.2647-0.1528 0.2161 ( 1022 PWs) bands (ev): -0.3080 -0.3080 6.6215 6.6215 9.2594 9.2594 9.7440 9.7440 9.8299 9.8299 13.6064 13.6064 14.9826 14.9826 15.0479 15.0479 k = 0.2721-0.1571 0.2221 ( 1022 PWs) bands (ev): -0.2741 -0.2741 6.5883 6.5883 9.1993 9.1993 9.7491 9.7491 9.8365 9.8365 13.6454 13.6454 15.0617 15.0617 15.1284 15.1284 k = 0.2794-0.1613 0.2281 ( 1022 PWs) bands (ev): -0.2431 -0.2431 6.5634 6.5634 9.1404 9.1404 9.7560 9.7560 9.8450 9.8450 13.6845 13.6845 15.1366 15.1366 15.2047 15.2047 k = 0.2868-0.1656 0.2341 ( 1022 PWs) bands (ev): -0.2151 -0.2151 6.5469 6.5469 9.0827 9.0827 9.7647 9.7647 9.8552 9.8552 13.7235 13.7235 15.2069 15.2069 15.2765 15.2765 k = 0.2941-0.1698 0.2401 ( 1030 PWs) bands (ev): -0.1902 -0.1902 6.5385 6.5385 9.0264 9.0264 9.7751 9.7751 9.8671 9.8671 13.7624 13.7624 15.2727 15.2727 15.3436 15.3436 k = 0.3015-0.1741 0.2461 ( 1030 PWs) bands (ev): -0.1683 -0.1683 6.5381 6.5381 8.9715 8.9715 9.7870 9.7870 9.8805 9.8805 13.8010 13.8010 15.3337 15.3337 15.4060 15.4060 k = 0.3088-0.1783 0.2522 ( 1030 PWs) bands (ev): -0.1494 -0.1494 6.5453 6.5453 8.9181 8.9181 9.8004 9.8004 9.8954 9.8954 13.8393 13.8393 15.3899 15.3899 15.4636 15.4636 k = 0.3162-0.1825 0.2582 ( 1030 PWs) bands (ev): -0.1336 -0.1336 6.5601 6.5601 8.8663 8.8663 9.8151 9.8151 9.9117 9.9117 13.8772 13.8772 15.4412 15.4412 15.5162 15.5162 k = 0.3235-0.1868 0.2642 ( 1030 PWs) bands (ev): -0.1207 -0.1207 6.5819 6.5819 8.8160 8.8160 9.8311 9.8311 9.9291 9.9291 13.9146 13.9146 15.4876 15.4877 15.5640 15.5640 k = 0.3309-0.1910 0.2702 ( 1030 PWs) bands (ev): -0.1105 -0.1105 6.6103 6.6103 8.7675 8.7675 9.8481 9.8481 9.9477 9.9477 13.9514 13.9514 15.5293 15.5293 15.6070 15.6070 k = 0.3382-0.1953 0.2762 ( 1030 PWs) bands (ev): -0.1030 -0.1030 6.6449 6.6449 8.7206 8.7206 9.8661 9.8661 9.9671 9.9671 13.9875 13.9875 15.5662 15.5662 15.6451 15.6451 k = 0.3456-0.1995 0.2822 ( 1030 PWs) bands (ev): -0.0980 -0.0980 6.6852 6.6852 8.6756 8.6756 9.8849 9.8849 9.9874 9.9874 14.0228 14.0228 15.5985 15.5985 15.6786 15.6786 k = 0.3529-0.2038 0.2882 ( 1030 PWs) bands (ev): -0.0952 -0.0952 6.7305 6.7305 8.6323 8.6323 9.9044 9.9044 10.0083 10.0083 14.0572 14.0572 15.6264 15.6264 15.7076 15.7076 k = 0.3603-0.2080 0.2942 ( 1030 PWs) bands (ev): -0.0944 -0.0944 6.7804 6.7804 8.5910 8.5910 9.9244 9.9244 10.0297 10.0297 14.0906 14.0906 15.6500 15.6500 15.7322 15.7322 k = 0.3676-0.2123 0.3002 ( 1030 PWs) bands (ev): -0.0955 -0.0955 6.8340 6.8340 8.5515 8.5515 9.9448 9.9448 10.0515 10.0515 14.1230 14.1230 15.6695 15.6695 15.7528 15.7528 k = 0.3750-0.2165 0.3062 ( 1030 PWs) bands (ev): -0.0981 -0.0981 6.8909 6.8909 8.5139 8.5139 9.9655 9.9655 10.0734 10.0734 14.1543 14.1543 15.6854 15.6854 15.7695 15.7695 k = 0.3824-0.2208 0.3122 ( 1030 PWs) bands (ev): -0.1020 -0.1020 6.9502 6.9502 8.4784 8.4784 9.9861 9.9861 10.0953 10.0953 14.1843 14.1843 15.6978 15.6978 15.7828 15.7828 k = 0.3897-0.2250 0.3182 ( 1030 PWs) bands (ev): -0.1070 -0.1070 7.0112 7.0112 8.4448 8.4448 10.0067 10.0067 10.1171 10.1171 14.2130 14.2130 15.7070 15.7070 15.7928 15.7928 k = 0.3971-0.2292 0.3242 ( 1034 PWs) bands (ev): -0.1129 -0.1129 7.0732 7.0732 8.4133 8.4133 10.0270 10.0270 10.1385 10.1385 14.2402 14.2402 15.7135 15.7135 15.8000 15.8000 k = 0.4044-0.2335 0.3302 ( 1034 PWs) bands (ev): -0.1195 -0.1195 7.1354 7.1354 8.3838 8.3838 10.0469 10.0469 10.1595 10.1595 14.2660 14.2660 15.7175 15.7175 15.8046 15.8046 k = 0.4118-0.2377 0.3362 ( 1034 PWs) bands (ev): -0.1264 -0.1264 7.1970 7.1970 8.3564 8.3564 10.0661 10.0661 10.1797 10.1797 14.2902 14.2902 15.7194 15.7194 15.8071 15.8071 k = 0.4191-0.2420 0.3422 ( 1034 PWs) bands (ev): -0.1336 -0.1336 7.2574 7.2574 8.3311 8.3311 10.0846 10.0846 10.1991 10.1991 14.3128 14.3128 15.7196 15.7196 15.8077 15.8077 k = 0.4265-0.2462 0.3482 ( 1034 PWs) bands (ev): -0.1407 -0.1407 7.3156 7.3156 8.3080 8.3080 10.1021 10.1021 10.2175 10.2175 14.3336 14.3336 15.7184 15.7184 15.8069 15.8069 k = 0.4338-0.2505 0.3542 ( 1038 PWs) bands (ev): -0.1478 -0.1478 7.3710 7.3710 8.2870 8.2870 10.1185 10.1185 10.2347 10.2347 14.3527 14.3527 15.7161 15.7161 15.8050 15.8050 k = 0.4412-0.2547 0.3602 ( 1034 PWs) bands (ev): -0.1545 -0.1545 7.4229 7.4229 8.2682 8.2682 10.1337 10.1337 10.2506 10.2506 14.3699 14.3699 15.7131 15.7131 15.8023 15.8023 k = 0.4485-0.2590 0.3662 ( 1034 PWs) bands (ev): -0.1608 -0.1608 7.4705 7.4705 8.2516 8.2516 10.1474 10.1474 10.2650 10.2650 14.3853 14.3853 15.7096 15.7096 15.7991 15.7991 k = 0.4559-0.2632 0.3722 ( 1026 PWs) bands (ev): -0.1664 -0.1664 7.5133 7.5133 8.2371 8.2371 10.1596 10.1596 10.2777 10.2777 14.3986 14.3986 15.7060 15.7060 15.7958 15.7958 k = 0.4632-0.2674 0.3782 ( 1026 PWs) bands (ev): -0.1714 -0.1714 7.5505 7.5505 8.2249 8.2249 10.1702 10.1702 10.2887 10.2887 14.4101 14.4101 15.7025 15.7025 15.7925 15.7925 k = 0.4706-0.2717 0.3842 ( 1034 PWs) bands (ev): -0.1757 -0.1757 7.5818 7.5818 8.2148 8.2148 10.1790 10.1790 10.2979 10.2979 14.4194 14.4194 15.6994 15.6994 15.7894 15.7894 k = 0.4779-0.2759 0.3902 ( 1034 PWs) bands (ev): -0.1790 -0.1790 7.6065 7.6065 8.2070 8.2070 10.1859 10.1859 10.3051 10.3051 14.4268 14.4268 15.6967 15.6967 15.7869 15.7869 k = 0.4853-0.2802 0.3962 ( 1034 PWs) bands (ev): -0.1815 -0.1815 7.6245 7.6245 8.2014 8.2014 10.1909 10.1909 10.3103 10.3103 14.4320 14.4320 15.6947 15.6947 15.7849 15.7849 k = 0.4926-0.2844 0.4022 ( 1034 PWs) bands (ev): -0.1830 -0.1830 7.6354 7.6354 8.1981 8.1981 10.1939 10.1939 10.3135 10.3135 14.4352 14.4352 15.6934 15.6934 15.7837 15.7837 k = 0.5000-0.2887 0.4082 ( 1034 PWs) bands (ev): -0.1835 -0.1835 7.6390 7.6390 8.1970 8.1970 10.1949 10.1949 10.3146 10.3146 14.4362 14.4362 15.6930 15.6930 15.7833 15.7833 k = 0.5000-0.2887 0.4082 ( 1034 PWs) bands (ev): -0.1835 -0.1835 7.6390 7.6390 8.1970 8.1970 10.1949 10.1949 10.3146 10.3146 14.4362 14.4362 15.6930 15.6930 15.7833 15.7833 k = 0.5000-0.2802 0.4143 ( 1034 PWs) bands (ev): -0.1823 -0.1823 7.6385 7.6385 8.1944 8.1944 10.1925 10.1925 10.3128 10.3128 14.4450 14.4450 15.6922 15.6922 15.7825 15.7825 k = 0.5000-0.2717 0.4203 ( 1034 PWs) bands (ev): -0.1789 -0.1789 7.6371 7.6371 8.1866 8.1866 10.1805 10.1805 10.3124 10.3124 14.4711 14.4711 15.6896 15.6896 15.7801 15.7801 k = 0.5000-0.2632 0.4263 ( 1034 PWs) bands (ev): -0.1733 -0.1733 7.6346 7.6346 8.1741 8.1741 10.1495 10.1495 10.3234 10.3234 14.5136 14.5136 15.6850 15.6850 15.7764 15.7764 k = 0.5000-0.2547 0.4323 ( 1034 PWs) bands (ev): -0.1655 -0.1655 7.6313 7.6313 8.1570 8.1570 10.0968 10.0968 10.3495 10.3495 14.5710 14.5710 15.6778 15.6778 15.7719 15.7719 k = 0.5000-0.2462 0.4383 ( 1030 PWs) bands (ev): -0.1555 -0.1555 7.6270 7.6270 8.1361 8.1361 10.0257 10.0257 10.3886 10.3886 14.6416 14.6416 15.6674 15.6674 15.7672 15.7672 k = 0.5000-0.2377 0.4443 ( 1028 PWs) bands (ev): -0.1434 -0.1434 7.6218 7.6218 8.1118 8.1118 9.9400 9.9400 10.4381 10.4381 14.7234 14.7234 15.6532 15.6532 15.7627 15.7627 k = 0.5000-0.2292 0.4503 ( 1030 PWs) bands (ev): -0.1292 -0.1292 7.6157 7.6157 8.0847 8.0847 9.8425 9.8425 10.4964 10.4964 14.8146 14.8146 15.6347 15.6347 15.7588 15.7588 k = 0.5000-0.2208 0.4563 ( 1030 PWs) bands (ev): -0.1131 -0.1131 7.6089 7.6089 8.0554 8.0554 9.7355 9.7355 10.5626 10.5626 14.9131 14.9131 15.6117 15.6117 15.7558 15.7558 k = 0.5000-0.2123 0.4623 ( 1030 PWs) bands (ev): -0.0951 -0.0951 7.6012 7.6012 8.0245 8.0245 9.6212 9.6212 10.6356 10.6356 15.0170 15.0170 15.5841 15.5841 15.7537 15.7537 k = 0.5000-0.2038 0.4683 ( 1030 PWs) bands (ev): -0.0754 -0.0754 7.5929 7.5929 7.9925 7.9925 9.5013 9.5013 10.7148 10.7148 15.1246 15.1246 15.5521 15.5521 15.7523 15.7523 k = 0.5000-0.1953 0.4743 ( 1038 PWs) bands (ev): -0.0540 -0.0540 7.5840 7.5840 7.9599 7.9599 9.3772 9.3772 10.7996 10.7996 15.2340 15.2340 15.5159 15.5159 15.7517 15.7517 k = 0.5000-0.1868 0.4803 ( 1038 PWs) bands (ev): -0.0310 -0.0310 7.5744 7.5744 7.9271 7.9271 9.2505 9.2505 10.8894 10.8894 15.3421 15.3421 15.4772 15.4772 15.7519 15.7519 k = 0.5000-0.1783 0.4863 ( 1030 PWs) bands (ev): -0.0067 -0.0067 7.5644 7.5644 7.8945 7.8945 9.1222 9.1222 10.9838 10.9838 15.4095 15.4095 15.4741 15.4741 15.7534 15.7534 k = 0.5000-0.1698 0.4923 ( 1034 PWs) bands (ev): 0.0188 0.0188 7.5539 7.5539 7.8623 7.8623 8.9936 8.9936 11.0824 11.0824 15.3699 15.3699 15.5699 15.5699 15.7577 15.7577 k = 0.5000-0.1613 0.4983 ( 1034 PWs) bands (ev): 0.0453 0.0453 7.5430 7.5430 7.8309 7.8309 8.8655 8.8655 11.1848 11.1848 15.3158 15.3158 15.6641 15.6641 15.7723 15.7723 k = 0.5000-0.1528 0.5043 ( 1042 PWs) bands (ev): 0.0727 0.0727 7.5318 7.5318 7.8004 7.8004 8.7390 8.7390 11.2906 11.2906 15.2559 15.2559 15.7175 15.7175 15.8270 15.8270 k = 0.5000-0.1443 0.5103 ( 1042 PWs) bands (ev): 0.1007 0.1007 7.5204 7.5204 7.7712 7.7712 8.6147 8.6147 11.3995 11.3995 15.1910 15.1910 15.7317 15.7317 15.9191 15.9191 k = 0.5000-0.1358 0.5163 ( 1040 PWs) bands (ev): 0.1291 0.1291 7.5089 7.5089 7.7433 7.7433 8.4934 8.4934 11.5113 11.5113 15.1213 15.1213 15.7364 15.7364 16.0183 16.0183 k = 0.5000-0.1274 0.5223 ( 1040 PWs) bands (ev): 0.1577 0.1577 7.4973 7.4973 7.7168 7.7168 8.3759 8.3759 11.6256 11.6256 15.0470 15.0470 15.7387 15.7387 16.1171 16.1171 k = 0.5000-0.1189 0.5283 ( 1036 PWs) bands (ev): 0.1862 0.1862 7.4858 7.4858 7.6920 7.6920 8.2627 8.2627 11.7422 11.7422 14.9682 14.9682 15.7400 15.7400 16.2139 16.2139 k = 0.5000-0.1104 0.5343 ( 1040 PWs) bands (ev): 0.2144 0.2144 7.4744 7.4744 7.6688 7.6688 8.1544 8.1544 11.8609 11.8609 14.8849 14.8849 15.7410 15.7410 16.3082 16.3082 k = 0.5000-0.1019 0.5403 ( 1040 PWs) bands (ev): 0.2421 0.2421 7.4632 7.4632 7.6474 7.6474 8.0517 8.0517 11.9814 11.9814 14.7973 14.7973 15.7417 15.7417 16.3997 16.3997 k = 0.5000-0.0934 0.5463 ( 1040 PWs) bands (ev): 0.2689 0.2689 7.4524 7.4524 7.6278 7.6278 7.9550 7.9550 12.1034 12.1034 14.7056 14.7056 15.7423 15.7423 16.4883 16.4883 k = 0.5000-0.0849 0.5523 ( 1040 PWs) bands (ev): 0.2945 0.2945 7.4420 7.4420 7.6099 7.6099 7.8649 7.8649 12.2268 12.2268 14.6099 14.6099 15.7429 15.7429 16.5742 16.5742 k = 0.5000-0.0764 0.5583 ( 1036 PWs) bands (ev): 0.3188 0.3188 7.4322 7.4322 7.5937 7.5937 7.7819 7.7819 12.3514 12.3514 14.5105 14.5105 15.7433 15.7433 16.6573 16.6573 k = 0.5000-0.0679 0.5643 ( 1036 PWs) bands (ev): 0.3414 0.3414 7.4231 7.4231 7.5793 7.5793 7.7063 7.7063 12.4768 12.4768 14.4074 14.4074 15.7437 15.7437 16.7377 16.7377 k = 0.5000-0.0594 0.5703 ( 1042 PWs) bands (ev): 0.3620 0.3620 7.4147 7.4147 7.5663 7.5663 7.6390 7.6390 12.6029 12.6029 14.3011 14.3011 15.7440 15.7440 16.8156 16.8156 k = 0.5000-0.0509 0.5764 ( 1042 PWs) bands (ev): 0.3805 0.3805 7.4073 7.4073 7.5532 7.5532 7.5817 7.5817 12.7294 12.7294 14.1916 14.1916 15.7443 15.7443 16.8910 16.8910 k = 0.5000-0.0425 0.5824 ( 1042 PWs) bands (ev): 0.3966 0.3966 7.4010 7.4010 7.5232 7.5232 7.5515 7.5515 12.8560 12.8560 14.0793 14.0793 15.7446 15.7446 16.9641 16.9641 k = 0.5000-0.0340 0.5884 ( 1042 PWs) bands (ev): 0.4100 0.4100 7.3958 7.3958 7.4829 7.4829 7.5421 7.5421 12.9827 12.9827 13.9645 13.9645 15.7448 15.7448 17.0348 17.0348 k = 0.5000-0.0255 0.5944 ( 1042 PWs) bands (ev): 0.4207 0.4207 7.3918 7.3918 7.4499 7.4499 7.5359 7.5359 13.1090 13.1090 13.8472 13.8472 15.7449 15.7449 17.1030 17.1030 k = 0.5000-0.0170 0.6004 ( 1042 PWs) bands (ev): 0.4284 0.4284 7.3893 7.3893 7.4258 7.4258 7.5317 7.5317 13.2348 13.2348 13.7279 13.7279 15.7450 15.7450 17.1684 17.1684 k = 0.5000-0.0085 0.6064 ( 1038 PWs) bands (ev): 0.4330 0.4330 7.3884 7.3884 7.4106 7.4106 7.5292 7.5292 13.3597 13.3597 13.6069 13.6069 15.7451 15.7451 17.2287 17.2287 k = 0.5000-0.0000 0.6124 ( 1036 PWs) bands (ev): 0.4346 0.4346 7.3884 7.3884 7.4052 7.4052 7.5283 7.5283 13.4763 13.4763 13.4917 13.4917 15.7451 15.7451 17.2649 17.3408 k = 0.5000-0.0000 0.6124 ( 1036 PWs) bands (ev): 0.4346 0.4346 7.3884 7.3884 7.4052 7.4052 7.5283 7.5283 13.4763 13.4763 13.4917 13.4917 15.7451 15.7451 17.2649 17.2649 k = 0.4948 0.0090 0.6124 ( 1040 PWs) bands (ev): 0.4343 0.4343 7.3661 7.3661 7.4220 7.4220 7.5351 7.5351 13.3954 13.3954 13.5713 13.5713 15.7449 15.7449 17.2481 17.2481 k = 0.4896 0.0180 0.6124 ( 1042 PWs) bands (ev): 0.4334 0.4334 7.3346 7.3346 7.4366 7.4366 7.5560 7.5560 13.3058 13.3058 13.6571 13.6571 15.7441 15.7441 17.2219 17.2219 k = 0.4844 0.0271 0.6124 ( 1042 PWs) bands (ev): 0.4319 0.4319 7.3014 7.3014 7.4443 7.4443 7.5882 7.5882 13.2144 13.2144 13.7420 13.7420 15.7427 15.7427 17.2001 17.2001 k = 0.4792 0.0361 0.6124 ( 1042 PWs) bands (ev): 0.4299 0.4299 7.2676 7.2676 7.4481 7.4481 7.6277 7.6277 13.1214 13.1214 13.8259 13.8259 15.7405 15.7405 17.1850 17.1850 k = 0.4740 0.0451 0.6124 ( 1042 PWs) bands (ev): 0.4275 0.4275 7.2336 7.2336 7.4501 7.4501 7.6717 7.6717 13.0271 13.0271 13.9084 13.9084 15.7376 15.7376 17.1771 17.1771 k = 0.4688 0.0541 0.6124 ( 1042 PWs) bands (ev): 0.4247 0.4247 7.1998 7.1998 7.4515 7.4515 7.7187 7.7187 12.9317 12.9317 13.9897 13.9897 15.7337 15.7337 17.1763 17.1763 k = 0.4635 0.0631 0.6124 ( 1041 PWs) bands (ev): 0.4215 0.4215 7.1667 7.1667 7.4527 7.4527 7.7680 7.7680 12.8354 12.8354 14.0694 14.0694 15.7288 15.7288 17.1823 17.1823 k = 0.4583 0.0722 0.6124 ( 1037 PWs) bands (ev): 0.4181 0.4181 7.1343 7.1343 7.4538 7.4538 7.8190 7.8190 12.7388 12.7388 14.1476 14.1476 15.7228 15.7228 17.1947 17.1947 k = 0.4531 0.0812 0.6124 ( 1037 PWs) bands (ev): 0.4145 0.4145 7.1029 7.1029 7.4550 7.4550 7.8713 7.8713 12.6424 12.6424 14.2240 14.2240 15.7156 15.7156 17.2129 17.2129 k = 0.4479 0.0902 0.6124 ( 1039 PWs) bands (ev): 0.4107 0.4107 7.0727 7.0727 7.4563 7.4563 7.9244 7.9244 12.5466 12.5466 14.2986 14.2986 15.7072 15.7072 17.2362 17.2362 k = 0.4427 0.0992 0.6124 ( 1039 PWs) bands (ev): 0.4068 0.4068 7.0438 7.0438 7.4576 7.4576 7.9780 7.9780 12.4521 12.4521 14.3711 14.3711 15.6975 15.6975 17.2640 17.2640 k = 0.4375 0.1083 0.6124 ( 1041 PWs) bands (ev): 0.4029 0.4029 7.0164 7.0164 7.4590 7.4590 8.0316 8.0316 12.3596 12.3596 14.4414 14.4414 15.6863 15.6863 17.2953 17.2953 k = 0.4323 0.1173 0.6124 ( 1041 PWs) bands (ev): 0.3991 0.3991 6.9906 6.9906 7.4604 7.4604 8.0847 8.0847 12.2697 12.2697 14.5092 14.5092 15.6739 15.6739 17.3294 17.3294 k = 0.4271 0.1263 0.6124 ( 1037 PWs) bands (ev): 0.3953 0.3953 6.9667 6.9667 7.4617 7.4617 8.1366 8.1366 12.1833 12.1833 14.5743 14.5743 15.6601 15.6601 17.3654 17.3654 k = 0.4219 0.1353 0.6124 ( 1037 PWs) bands (ev): 0.3918 0.3918 6.9446 6.9446 7.4631 7.4631 8.1869 8.1869 12.1012 12.1012 14.6364 14.6364 15.6451 15.6451 17.4024 17.4024 k = 0.4167 0.1443 0.6124 ( 1043 PWs) bands (ev): 0.3884 0.3884 6.9246 6.9246 7.4644 7.4644 8.2349 8.2349 12.0243 12.0243 14.6952 14.6952 15.6291 15.6291 17.4393 17.4393 k = 0.4115 0.1534 0.6124 ( 1035 PWs) bands (ev): 0.3853 0.3853 6.9067 6.9067 7.4656 7.4656 8.2797 8.2797 11.9534 11.9534 14.7501 14.7501 15.6123 15.6123 17.4753 17.4753 k = 0.4062 0.1624 0.6124 ( 1035 PWs) bands (ev): 0.3826 0.3826 6.8910 6.8910 7.4667 7.4667 8.3208 8.3208 11.8895 11.8895 14.8007 14.8007 15.5952 15.5952 17.5094 17.5094 k = 0.4010 0.1714 0.6124 ( 1035 PWs) bands (ev): 0.3801 0.3801 6.8775 6.8775 7.4676 7.4676 8.3572 8.3572 11.8335 11.8335 14.8462 14.8462 15.5782 15.5782 17.5405 17.5405 k = 0.3958 0.1804 0.6124 ( 1033 PWs) bands (ev): 0.3781 0.3781 6.8665 6.8665 7.4684 7.4684 8.3882 8.3882 11.7862 11.7862 14.8857 14.8857 15.5622 15.5622 17.5679 17.5679 k = 0.3906 0.1894 0.6124 ( 1032 PWs) bands (ev): 0.3765 0.3765 6.8578 6.8578 7.4691 7.4691 8.4133 8.4133 11.7485 11.7485 14.9183 14.9183 15.5480 15.5480 17.5904 17.5904 k = 0.3854 0.1985 0.6124 ( 1032 PWs) bands (ev): 0.3753 0.3753 6.8516 6.8516 7.4696 7.4696 8.4316 8.4316 11.7210 11.7210 14.9428 14.9428 15.5367 15.5367 17.6073 17.6073 k = 0.3802 0.2075 0.6124 ( 1032 PWs) bands (ev): 0.3746 0.3746 6.8478 6.8478 7.4698 7.4698 8.4428 8.4428 11.7043 11.7043 14.9581 14.9581 15.5294 15.5294 17.6178 17.6178 k = 0.3750 0.2165 0.6124 ( 1043 PWs) bands (ev): 0.3744 0.3744 6.8466 6.8466 7.4699 7.4699 8.4466 8.4466 11.6987 11.6987 14.9632 14.9632 15.5269 15.5269 17.6214 17.6214 k = 0.3750 0.2165 0.6124 ( 1043 PWs) bands (ev): 0.3744 0.3744 6.8466 6.8466 7.4699 7.4699 8.4466 8.4466 11.6987 11.6987 14.9632 14.9632 15.5269 15.5269 17.6214 17.6214 k = 0.3698 0.2135 0.6039 ( 1035 PWs) bands (ev): 0.4123 0.4123 6.7590 6.7590 7.4615 7.4615 8.3652 8.3652 11.8231 11.8231 14.9024 14.9024 15.5041 15.5041 17.7417 17.7417 k = 0.3646 0.2105 0.5954 ( 1031 PWs) bands (ev): 0.4501 0.4501 6.6721 6.6721 7.4538 7.4538 8.2866 8.2866 11.9515 11.9515 14.8398 14.8398 15.4798 15.4798 17.6898 17.6898 k = 0.3594 0.2075 0.5869 ( 1031 PWs) bands (ev): 0.4874 0.4874 6.5863 6.5863 7.4471 7.4471 8.2107 8.2107 12.0836 12.0836 14.7756 14.7756 15.4540 15.4540 17.6358 17.6358 k = 0.3542 0.2045 0.5784 ( 1035 PWs) bands (ev): 0.5240 0.5240 6.5020 6.5020 7.4413 7.4413 8.1379 8.1379 12.2190 12.2190 14.7097 14.7097 15.4268 15.4268 17.5799 17.5799 k = 0.3490 0.2015 0.5698 ( 1031 PWs) bands (ev): 0.5597 0.5597 6.4197 6.4197 7.4366 7.4366 8.0681 8.0681 12.3574 12.3574 14.6424 14.6424 15.3980 15.3980 17.5225 17.5225 k = 0.3438 0.1985 0.5613 ( 1031 PWs) bands (ev): 0.5941 0.5941 6.3399 6.3399 7.4330 7.4330 8.0015 8.0015 12.4985 12.4985 14.5737 14.5737 15.3676 15.3676 17.4635 17.4635 k = 0.3385 0.1955 0.5528 ( 1031 PWs) bands (ev): 0.6270 0.6270 6.2631 6.2631 7.4306 7.4306 7.9382 7.9382 12.6417 12.6417 14.5037 14.5037 15.3358 15.3358 17.4030 17.4030 k = 0.3333 0.1925 0.5443 ( 1031 PWs) bands (ev): 0.6580 0.6580 6.1897 6.1897 7.4294 7.4294 7.8782 7.8782 12.7867 12.7867 14.4325 14.4325 15.3024 15.3024 17.3413 17.3413 k = 0.3281 0.1894 0.5358 ( 1031 PWs) bands (ev): 0.6868 0.6868 6.1201 6.1201 7.4295 7.4295 7.8217 7.8217 12.9329 12.9329 14.3602 14.3602 15.2676 15.2676 17.2785 17.2785 k = 0.3229 0.1864 0.5273 ( 1031 PWs) bands (ev): 0.7131 0.7131 6.0548 6.0548 7.4311 7.4311 7.7688 7.7688 13.0796 13.0796 14.2869 14.2869 15.2312 15.2312 17.2148 17.2148 k = 0.3177 0.1834 0.5188 ( 1035 PWs) bands (ev): 0.7365 0.7365 5.9944 5.9944 7.4340 7.4340 7.7196 7.7196 13.2264 13.2264 14.2127 14.2127 15.1934 15.1934 17.1502 17.1502 k = 0.3125 0.1804 0.5103 ( 1029 PWs) bands (ev): 0.7567 0.7567 5.9392 5.9392 7.4384 7.4384 7.6741 7.6741 13.3724 13.3724 14.1377 14.1377 15.1542 15.1542 17.0850 17.0850 k = 0.3073 0.1774 0.5018 ( 1033 PWs) bands (ev): 0.7734 0.7734 5.8896 5.8896 7.4442 7.4442 7.6325 7.6325 13.5167 13.5167 14.0620 14.0620 15.1135 15.1135 17.0193 17.0193 k = 0.3021 0.1744 0.4933 ( 1033 PWs) bands (ev): 0.7862 0.7862 5.8461 5.8461 7.4512 7.4512 7.5952 7.5952 13.6586 13.6586 13.9859 13.9859 15.0715 15.0715 16.9534 16.9534 k = 0.2969 0.1714 0.4848 ( 1033 PWs) bands (ev): 0.7949 0.7949 5.8090 5.8090 7.4590 7.4590 7.5626 7.5626 13.7964 13.7964 13.9097 13.9097 15.0282 15.0282 16.8875 16.8875 k = 0.2917 0.1684 0.4763 ( 1029 PWs) bands (ev): 0.7993 0.7993 5.7787 5.7787 7.4661 7.4661 7.5365 7.5365 13.8303 13.8303 13.9324 13.9324 14.9837 14.9837 16.8217 16.8217 k = 0.2865 0.1654 0.4678 ( 1029 PWs) bands (ev): 0.7990 0.7990 5.7555 5.7555 7.4676 7.4676 7.5217 7.5217 13.7536 13.7536 14.0596 14.0596 14.9379 14.9379 16.7564 16.7564 k = 0.2812 0.1624 0.4593 ( 1029 PWs) bands (ev): 0.7940 0.7940 5.7396 5.7396 7.4587 7.4587 7.5230 7.5230 13.6759 13.6759 14.1802 14.1802 14.8911 14.8911 16.6918 16.6918 k = 0.2760 0.1594 0.4508 ( 1029 PWs) bands (ev): 0.7841 0.7841 5.7311 5.7311 7.4450 7.4450 7.5352 7.5352 13.5981 13.5981 14.2921 14.2921 14.8434 14.8434 16.6281 16.6281 k = 0.2708 0.1564 0.4423 ( 1029 PWs) bands (ev): 0.7693 0.7693 5.7303 5.7303 7.4320 7.4320 7.5525 7.5525 13.5202 13.5202 14.3935 14.3935 14.7950 14.7950 16.5656 16.5656 k = 0.2656 0.1534 0.4338 ( 1029 PWs) bands (ev): 0.7496 0.7496 5.7372 5.7372 7.4219 7.4219 7.5732 7.5732 13.4424 13.4424 14.4825 14.4825 14.7465 14.7465 16.5045 16.5045 k = 0.2604 0.1504 0.4253 ( 1029 PWs) bands (ev): 0.7249 0.7249 5.7517 5.7517 7.4151 7.4151 7.5965 7.5965 13.3647 13.3647 14.5550 14.5550 14.7005 14.7005 16.4449 16.4449 k = 0.2552 0.1473 0.4168 ( 1029 PWs) bands (ev): 0.6955 0.6955 5.7739 5.7739 7.4121 7.4121 7.6223 7.6223 13.2873 13.2873 14.5940 14.5940 14.6727 14.6727 16.3868 16.3868 k = 0.2500 0.1443 0.4082 ( 1029 PWs) bands (ev): 0.6615 0.6615 5.8036 5.8036 7.4130 7.4130 7.6505 7.6505 13.2101 13.2101 14.5691 14.5691 14.6927 14.6927 16.3300 16.3300 k = 0.2448 0.1413 0.3997 ( 1029 PWs) bands (ev): 0.6231 0.6231 5.8406 5.8406 7.4177 7.4177 7.6810 7.6810 13.1334 13.1334 14.5208 14.5208 14.7193 14.7193 16.2742 16.2742 k = 0.2396 0.1383 0.3912 ( 1033 PWs) bands (ev): 0.5805 0.5805 5.8848 5.8848 7.4264 7.4264 7.7139 7.7139 13.0571 13.0571 14.4679 14.4679 14.7335 14.7335 16.2186 16.2186 k = 0.2344 0.1353 0.3827 ( 1033 PWs) bands (ev): 0.5341 0.5341 5.9360 5.9360 7.4391 7.4391 7.7492 7.7492 12.9815 12.9815 14.4131 14.4131 14.7329 14.7329 16.1627 16.1627 k = 0.2292 0.1323 0.3742 ( 1033 PWs) bands (ev): 0.4841 0.4841 5.9937 5.9937 7.4559 7.4559 7.7867 7.7867 12.9064 12.9064 14.3572 14.3572 14.7176 14.7176 16.1056 16.1056 k = 0.2240 0.1293 0.3657 ( 1035 PWs) bands (ev): 0.4308 0.4308 6.0579 6.0579 7.4766 7.4766 7.8267 7.8267 12.8321 12.8321 14.3004 14.3004 14.6885 14.6885 16.0464 16.0464 k = 0.2188 0.1263 0.3572 ( 1035 PWs) bands (ev): 0.3746 0.3746 6.1281 6.1281 7.5014 7.5014 7.8690 7.8690 12.7585 12.7585 14.2427 14.2427 14.6466 14.6466 15.9847 15.9847 k = 0.2135 0.1233 0.3487 ( 1031 PWs) bands (ev): 0.3157 0.3157 6.2042 6.2042 7.5303 7.5303 7.9136 7.9136 12.6858 12.6858 14.1844 14.1844 14.5933 14.5933 15.9200 15.9200 k = 0.2083 0.1203 0.3402 ( 1031 PWs) bands (ev): 0.2546 0.2546 6.2858 6.2858 7.5632 7.5632 7.9606 7.9606 12.6141 12.6141 14.1255 14.1255 14.5300 14.5300 15.8521 15.8521 k = 0.2031 0.1173 0.3317 ( 1023 PWs) bands (ev): 0.1916 0.1916 6.3725 6.3725 7.6001 7.6001 8.0100 8.0100 12.5433 12.5433 14.0659 14.0659 14.4578 14.4578 15.7812 15.7812 k = 0.1979 0.1143 0.3232 ( 1023 PWs) bands (ev): 0.1269 0.1269 6.4642 6.4642 7.6411 7.6411 8.0617 8.0617 12.4736 12.4736 14.0058 14.0058 14.3781 14.3781 15.7075 15.7075 k = 0.1927 0.1113 0.3147 ( 1027 PWs) bands (ev): 0.0608 0.0608 6.5605 6.5605 7.6861 7.6861 8.1158 8.1158 12.4050 12.4050 13.9452 13.9452 14.2918 14.2918 15.6315 15.6315 k = 0.1875 0.1083 0.3062 ( 1021 PWs) bands (ev): -0.0063 -0.0063 6.6612 6.6612 7.7352 7.7352 8.1721 8.1721 12.3376 12.3376 13.8841 13.8841 14.2001 14.2001 15.5535 15.5535 k = 0.1823 0.1052 0.2977 ( 1021 PWs) bands (ev): -0.0742 -0.0742 6.7661 6.7661 7.7883 7.7883 8.2307 8.2307 12.2714 12.2714 13.8223 13.8223 14.1038 14.1038 15.4740 15.4740 k = 0.1771 0.1022 0.2892 ( 1025 PWs) bands (ev): -0.1426 -0.1426 6.8747 6.8747 7.8453 7.8453 8.2916 8.2916 12.2065 12.2065 13.7601 13.7601 14.0038 14.0038 15.3934 15.3934 k = 0.1719 0.0992 0.2807 ( 1025 PWs) bands (ev): -0.2113 -0.2113 6.9871 6.9871 7.9064 7.9064 8.3548 8.3548 12.1430 12.1430 13.6971 13.6971 13.9010 13.9010 15.3121 15.3121 k = 0.1667 0.0962 0.2722 ( 1025 PWs) bands (ev): -0.2800 -0.2800 7.1028 7.1028 7.9714 7.9714 8.4201 8.4201 12.0808 12.0808 13.6333 13.6333 13.7963 13.7963 15.2303 15.2303 k = 0.1615 0.0932 0.2637 ( 1029 PWs) bands (ev): -0.3486 -0.3486 7.2217 7.2217 8.0404 8.0404 8.4875 8.4875 12.0201 12.0201 13.5683 13.5683 13.6908 13.6908 15.1483 15.1483 k = 0.1562 0.0902 0.2552 ( 1023 PWs) bands (ev): -0.4167 -0.4167 7.3435 7.3435 8.1133 8.1133 8.5571 8.5571 11.9609 11.9609 13.5007 13.5007 13.5865 13.5865 15.0662 15.0662 k = 0.1510 0.0872 0.2467 ( 1023 PWs) bands (ev): -0.4842 -0.4842 7.4682 7.4682 8.1901 8.1901 8.6288 8.6288 11.9032 11.9032 13.4266 13.4266 13.4878 13.4878 14.9841 14.9841 k = 0.1458 0.0842 0.2381 ( 1035 PWs) bands (ev): -0.5510 -0.5510 7.5954 7.5954 8.2708 8.2708 8.7024 8.7024 11.8471 11.8471 13.3384 13.3384 13.4028 13.4028 14.9020 14.9020 k = 0.1406 0.0812 0.2296 ( 1029 PWs) bands (ev): -0.6169 -0.6169 7.7249 7.7249 8.3553 8.3553 8.7780 8.7780 11.7926 11.7926 13.2384 13.2384 13.3298 13.3298 14.8200 14.8200 k = 0.1354 0.0782 0.2211 ( 1029 PWs) bands (ev): -0.6816 -0.6816 7.8567 7.8567 8.4436 8.4436 8.8554 8.8554 11.7398 11.7398 13.1346 13.1346 13.2610 13.2610 14.7381 14.7381 k = 0.1302 0.0752 0.2126 ( 1029 PWs) bands (ev): -0.7450 -0.7450 7.9905 7.9905 8.5357 8.5357 8.9347 8.9347 11.6887 11.6887 13.0307 13.0307 13.1935 13.1935 14.6561 14.6561 k = 0.1250 0.0722 0.2041 ( 1029 PWs) bands (ev): -0.8070 -0.8070 8.1260 8.1260 8.6315 8.6315 9.0156 9.0156 11.6393 11.6393 12.9279 12.9279 13.1261 13.1261 14.5740 14.5740 k = 0.1198 0.0692 0.1956 ( 1021 PWs) bands (ev): -0.8675 -0.8675 8.2632 8.2632 8.7310 8.7310 9.0982 9.0982 11.5917 11.5917 12.8269 12.8269 13.0585 13.0585 14.4917 14.4917 k = 0.1146 0.0662 0.1871 ( 1019 PWs) bands (ev): -0.9263 -0.9263 8.4019 8.4019 8.8341 8.8341 9.1824 9.1824 11.5459 11.5459 12.7282 12.7282 12.9905 12.9905 14.4091 14.4091 k = 0.1094 0.0631 0.1786 ( 1019 PWs) bands (ev): -0.9833 -0.9833 8.5417 8.5417 8.9408 8.9408 9.2680 9.2680 11.5019 11.5019 12.6321 12.6321 12.9219 12.9219 14.3260 14.3260 k = 0.1042 0.0601 0.1701 ( 1019 PWs) bands (ev): -1.0383 -1.0383 8.6826 8.6826 9.0509 9.0509 9.3550 9.3550 11.4598 11.4598 12.5389 12.5389 12.8528 12.8528 14.2424 14.2424 k = 0.0990 0.0571 0.1616 ( 1017 PWs) bands (ev): -1.0914 -1.0914 8.8243 8.8243 9.1646 9.1646 9.4432 9.4432 11.4195 11.4195 12.4489 12.4489 12.7830 12.7830 14.1582 14.1582 k = 0.0938 0.0541 0.1531 ( 1019 PWs) bands (ev): -1.1423 -1.1423 8.9666 8.9666 9.2815 9.2815 9.5326 9.5326 11.3812 11.3812 12.3623 12.3623 12.7125 12.7125 14.0732 14.0732 k = 0.0885 0.0511 0.1446 ( 1019 PWs) bands (ev): -1.1910 -1.1910 9.1092 9.1092 9.4017 9.4017 9.6230 9.6230 11.3448 11.3448 12.2791 12.2791 12.6412 12.6412 13.9874 13.9874 k = 0.0833 0.0481 0.1361 ( 1015 PWs) bands (ev): -1.2374 -1.2374 9.2519 9.2519 9.5251 9.5251 9.7142 9.7142 11.3104 11.3104 12.1997 12.1997 12.5692 12.5692 13.9008 13.9008 k = 0.0781 0.0451 0.1276 ( 1015 PWs) bands (ev): -1.2814 -1.2814 9.3944 9.3944 9.6514 9.6514 9.8063 9.8063 11.2780 11.2780 12.1240 12.1240 12.4962 12.4962 13.8133 13.8133 k = 0.0729 0.0421 0.1191 ( 1015 PWs) bands (ev): -1.3229 -1.3229 9.5364 9.5364 9.7807 9.7807 9.8990 9.8990 11.2476 11.2476 12.0522 12.0522 12.4225 12.4225 13.7249 13.7249 k = 0.0677 0.0391 0.1106 ( 1015 PWs) bands (ev): -1.3618 -1.3618 9.6775 9.6775 9.9125 9.9125 9.9922 9.9922 11.2192 11.2192 11.9843 11.9843 12.3478 12.3478 13.6358 13.6358 k = 0.0625 0.0361 0.1021 ( 1019 PWs) bands (ev): -1.3982 -1.3982 9.8172 9.8172 10.0468 10.0468 10.0857 10.0857 11.1929 11.1929 11.9203 11.9203 12.2723 12.2723 13.5461 13.5461 k = 0.0573 0.0331 0.0936 ( 1019 PWs) bands (ev): -1.4318 -1.4318 9.9552 9.9552 10.1794 10.1794 10.1833 10.1833 11.1686 11.1686 11.8601 11.8601 12.1959 12.1959 13.4563 13.4563 k = 0.0521 0.0301 0.0851 ( 1019 PWs) bands (ev): -1.4628 -1.4628 10.0908 10.0908 10.2731 10.2731 10.3215 10.3215 11.1465 11.1465 11.8037 11.8037 12.1187 12.1187 13.3666 13.3666 k = 0.0469 0.0271 0.0765 ( 1019 PWs) bands (ev): -1.4909 -1.4909 10.2233 10.2233 10.3666 10.3666 10.4609 10.4609 11.1265 11.1265 11.7510 11.7510 12.0408 12.0408 13.2777 13.2777 k = 0.0417 0.0241 0.0680 ( 1019 PWs) bands (ev): -1.5162 -1.5162 10.3518 10.3518 10.4598 10.4598 10.6009 10.6009 11.1086 11.1086 11.7017 11.7017 11.9623 11.9623 13.1904 13.1904 k = 0.0365 0.0210 0.0595 ( 1019 PWs) bands (ev): -1.5386 -1.5386 10.4750 10.4750 10.5526 10.5526 10.7403 10.7403 11.0930 11.0930 11.6555 11.6555 11.8835 11.8835 13.1059 13.1059 k = 0.0312 0.0180 0.0510 ( 1015 PWs) bands (ev): -1.5581 -1.5581 10.5914 10.5914 10.6449 10.6449 10.8777 10.8777 11.0798 11.0798 11.6120 11.6120 11.8047 11.8047 13.0256 13.0256 k = 0.0260 0.0150 0.0425 ( 1015 PWs) bands (ev): -1.5747 -1.5747 10.6982 10.6982 10.7369 10.7369 11.0098 11.0098 11.0701 11.0701 11.5708 11.5708 11.7267 11.7267 12.9512 12.9512 k = 0.0208 0.0120 0.0340 ( 1015 PWs) bands (ev): -1.5883 -1.5883 10.7932 10.7932 10.8273 10.8273 11.0587 11.0587 11.1389 11.1389 11.5318 11.5318 11.6507 11.6507 12.8850 12.8851 k = 0.0156 0.0090 0.0255 ( 1013 PWs) bands (ev): -1.5989 -1.5989 10.8763 10.8763 10.9101 10.9101 11.0552 11.0552 11.2508 11.2508 11.4953 11.4953 11.5790 11.5790 12.8295 12.8295 k = 0.0104 0.0060 0.0170 ( 1011 PWs) bands (ev): -1.6064 -1.6064 10.9459 10.9459 10.9747 10.9747 11.0586 11.0586 11.3404 11.3404 11.4641 11.4641 11.5166 11.5166 12.7872 12.7872 k = 0.0052 0.0030 0.0085 ( 1025 PWs) bands (ev): -1.6110 -1.6110 10.9954 10.9954 11.0070 11.0070 11.0752 11.0752 11.3880 11.3880 11.4508 11.4508 11.4725 11.4725 12.7607 12.7611 k = 0.0000 0.0000 0.0000 ( 1037 PWs) bands (ev): -1.6125 -1.6125 11.0139 11.0139 11.0139 11.0139 11.0870 11.0870 11.3921 11.3921 11.4567 11.4567 11.4567 11.4567 12.7516 12.7516 k = 0.0000 0.0000 0.0000 ( 1037 PWs) bands (ev): -1.6125 -1.6125 11.0139 11.0139 11.0139 11.0139 11.0870 11.0870 11.3921 11.3921 11.4567 11.4567 11.4567 11.4567 12.7516 12.7516 k = 0.0085 0.0049 0.0035 ( 1025 PWs) bands (ev): -1.6110 -1.6110 10.9941 10.9941 11.0085 11.0085 11.0751 11.0751 11.3908 11.3908 11.4483 11.4483 11.4722 11.4722 12.7687 12.7688 k = 0.0169 0.0098 0.0069 ( 1013 PWs) bands (ev): -1.6065 -1.6065 10.9361 10.9361 10.9911 10.9911 11.0489 11.0489 11.3765 11.3765 11.4265 11.4265 11.5203 11.5203 12.8179 12.8182 k = 0.0254 0.0147 0.0104 ( 1013 PWs) bands (ev): -1.5990 -1.5990 10.8519 10.8519 10.9590 10.9590 11.0104 11.0104 11.3546 11.3546 11.3991 11.3991 11.5868 11.5868 12.8942 12.8950 k = 0.0339 0.0196 0.0138 ( 1013 PWs) bands (ev): -1.5884 -1.5884 10.7531 10.7531 10.9091 10.9091 10.9540 10.9540 11.3369 11.3369 11.3749 11.3749 11.6595 11.6595 12.9919 12.9933 k = 0.0424 0.0245 0.0173 ( 1016 PWs) bands (ev): -1.5749 -1.5749 10.6455 10.6455 10.8408 10.8408 10.8788 10.8788 11.3289 11.3289 11.3599 11.3599 11.7334 11.7334 13.1065 13.1072 k = 0.0508 0.0294 0.0208 ( 1016 PWs) bands (ev): -1.5584 -1.5584 10.5317 10.5317 10.7565 10.7565 10.7882 10.7882 11.3311 11.3311 11.3555 11.3555 11.8064 11.8064 13.2318 13.2338 k = 0.0593 0.0342 0.0242 ( 1016 PWs) bands (ev): -1.5390 -1.5390 10.4130 10.4130 10.6600 10.6600 10.6868 10.6868 11.3417 11.3417 11.3609 11.3609 11.8774 11.8774 13.3677 13.3705 k = 0.0678 0.0391 0.0277 ( 1016 PWs) bands (ev): -1.5167 -1.5167 10.2905 10.2905 10.5551 10.5551 10.5783 10.5783 11.3591 11.3591 11.3742 11.3742 11.9461 11.9461 13.5104 13.5125 k = 0.0763 0.0440 0.0311 ( 1016 PWs) bands (ev): -1.4914 -1.4914 10.1646 10.1646 10.4448 10.4448 10.4653 10.4653 11.3821 11.3821 11.3942 11.3942 12.0122 12.0122 13.6590 13.6621 k = 0.0847 0.0489 0.0346 ( 1010 PWs) bands (ev): -1.4633 -1.4633 10.0359 10.0359 10.3310 10.3310 10.3496 10.3496 11.4097 11.4097 11.4196 11.4196 12.0758 12.0758 13.8116 13.8162 k = 0.0932 0.0538 0.0381 ( 1010 PWs) bands (ev): -1.4324 -1.4324 9.9046 9.9046 10.2153 10.2153 10.2325 10.2325 11.4417 11.4417 11.4499 11.4499 12.1369 12.1369 13.9684 13.9699 k = 0.1017 0.0587 0.0415 ( 1007 PWs) bands (ev): -1.3987 -1.3987 9.7712 9.7712 10.0987 10.0987 10.1148 10.1148 11.4775 11.4775 11.4845 11.4845 12.1959 12.1959 14.1289 14.1328 k = 0.1102 0.0636 0.0450 ( 1007 PWs) bands (ev): -1.3622 -1.3622 9.6359 9.6359 9.9819 9.9819 9.9973 9.9973 11.5170 11.5170 11.5230 11.5230 12.2527 12.2527 14.2901 14.2902 k = 0.1186 0.0685 0.0484 ( 1007 PWs) bands (ev): -1.3230 -1.3230 9.4990 9.4990 9.8656 9.8656 9.8805 9.8805 11.5599 11.5599 11.5652 11.5652 12.3078 12.3078 14.4548 14.4549 k = 0.1271 0.0734 0.0519 ( 1007 PWs) bands (ev): -1.2812 -1.2812 9.3608 9.3608 9.7500 9.7500 9.7646 9.7646 11.6062 11.6062 11.6109 11.6109 12.3613 12.3613 14.6223 14.6256 k = 0.1356 0.0783 0.0554 ( 1007 PWs) bands (ev): -1.2368 -1.2368 9.2214 9.2214 9.6356 9.6356 9.6500 9.6500 11.6557 11.6557 11.6599 11.6599 12.4136 12.4136 14.7897 14.7900 k = 0.1441 0.0832 0.0588 ( 1007 PWs) bands (ev): -1.1899 -1.1899 9.0812 9.0812 9.5226 9.5226 9.5368 9.5368 11.7082 11.7082 11.7122 11.7122 12.4649 12.4649 14.9593 14.9596 k = 0.1525 0.0881 0.0623 ( 1007 PWs) bands (ev): -1.1404 -1.1404 8.9402 8.9402 9.4112 9.4112 9.4254 9.4254 11.7638 11.7638 11.7675 11.7675 12.5155 12.5155 15.1311 15.1364 k = 0.1610 0.0930 0.0657 ( 1013 PWs) bands (ev): -1.0886 -1.0886 8.7988 8.7988 9.3016 9.3016 9.3158 9.3158 11.8222 11.8222 11.8258 11.8258 12.5656 12.5656 15.3017 15.3018 k = 0.1695 0.0979 0.0692 ( 1013 PWs) bands (ev): -1.0344 -1.0344 8.6570 8.6570 9.1938 9.1938 9.2081 9.2081 11.8834 11.8834 11.8869 11.8869 12.6156 12.6156 15.4746 15.4809 k = 0.1780 0.1027 0.0727 ( 1013 PWs) bands (ev): -0.9779 -0.9779 8.5151 8.5151 9.0881 9.0881 9.1025 9.1025 11.9474 11.9474 11.9507 11.9507 12.6657 12.6657 15.6478 15.6548 k = 0.1864 0.1076 0.0761 ( 1013 PWs) bands (ev): -0.9192 -0.9192 8.3732 8.3732 8.9845 8.9845 8.9990 8.9990 12.0139 12.0139 12.0172 12.0172 12.7162 12.7162 15.8211 15.8266 k = 0.1949 0.1125 0.0796 ( 1007 PWs) bands (ev): -0.8584 -0.8584 8.2315 8.2315 8.8831 8.8831 8.8978 8.8978 12.0829 12.0829 12.0862 12.0862 12.7672 12.7672 15.9950 16.0005 k = 0.2034 0.1174 0.0830 ( 1007 PWs) bands (ev): -0.7956 -0.7956 8.0901 8.0901 8.7840 8.7840 8.7988 8.7988 12.1543 12.1543 12.1576 12.1576 12.8191 12.8191 16.1694 16.1767 k = 0.2119 0.1223 0.0865 ( 1019 PWs) bands (ev): -0.7308 -0.7308 7.9491 7.9491 8.6873 8.6873 8.7023 8.7023 12.2279 12.2279 12.2312 12.2312 12.8720 12.8720 16.3422 16.3431 k = 0.2203 0.1272 0.0900 ( 1019 PWs) bands (ev): -0.6641 -0.6641 7.8088 7.8088 8.5929 8.5929 8.6081 8.6081 12.3037 12.3037 12.3070 12.3070 12.9261 12.9261 16.5162 16.5228 k = 0.2288 0.1321 0.0934 ( 1019 PWs) bands (ev): -0.5957 -0.5957 7.6691 7.6691 8.5010 8.5010 8.5164 8.5164 12.3815 12.3815 12.3848 12.3848 12.9817 12.9817 16.6903 16.6956 k = 0.2373 0.1370 0.0969 ( 1022 PWs) bands (ev): -0.5256 -0.5256 7.5303 7.5303 8.4115 8.4115 8.4271 8.4271 12.4611 12.4611 12.4645 12.4645 13.0389 13.0389 16.8615 16.8620 k = 0.2458 0.1419 0.1003 ( 1022 PWs) bands (ev): -0.4539 -0.4539 7.3925 7.3925 8.3247 8.3247 8.3405 8.3405 12.5424 12.5424 12.5459 12.5459 13.0979 13.0979 17.0337 17.0417 k = 0.2542 0.1468 0.1038 ( 1029 PWs) bands (ev): -0.3807 -0.3807 7.2557 7.2557 8.2403 8.2403 8.2564 8.2564 12.6253 12.6253 12.6287 12.6287 13.1588 13.1588 17.2043 17.2123 k = 0.2627 0.1517 0.1073 ( 1029 PWs) bands (ev): -0.3062 -0.3062 7.1201 7.1201 8.1586 8.1586 8.1749 8.1749 12.7095 12.7095 12.7130 12.7130 13.2217 13.2217 17.3742 17.3816 k = 0.2712 0.1566 0.1107 ( 1035 PWs) bands (ev): -0.2305 -0.2305 6.9858 6.9858 8.0796 8.0796 8.0961 8.0961 12.7949 12.7949 12.7984 12.7984 13.2868 13.2868 17.5427 17.5427 k = 0.2797 0.1615 0.1142 ( 1035 PWs) bands (ev): -0.1536 -0.1536 6.8529 6.8529 8.0032 8.0032 8.0199 8.0199 12.8812 12.8812 12.8848 12.8848 13.3541 13.3541 17.7103 17.7178 k = 0.2881 0.1664 0.1176 ( 1035 PWs) bands (ev): -0.0758 -0.0758 6.7216 6.7216 7.9295 7.9295 7.9464 7.9464 12.9684 12.9684 12.9719 12.9719 13.4238 13.4238 17.8752 17.8752 k = 0.2966 0.1712 0.1211 ( 1035 PWs) bands (ev): 0.0029 0.0029 6.5919 6.5919 7.8585 7.8585 7.8756 7.8756 13.0561 13.0561 13.0596 13.0596 13.4958 13.4958 18.0387 18.0466 k = 0.3051 0.1761 0.1246 ( 1029 PWs) bands (ev): 0.0823 0.0823 6.4640 6.4640 7.7903 7.7903 7.8076 7.8076 13.1441 13.1441 13.1475 13.1475 13.5704 13.5704 18.2002 18.2004 k = 0.3136 0.1810 0.1280 ( 1035 PWs) bands (ev): 0.1621 0.1621 6.3379 6.3379 7.7249 7.7249 7.7424 7.7424 13.2322 13.2322 13.2355 13.2355 13.6473 13.6473 18.3593 18.3593 k = 0.3220 0.1859 0.1315 ( 1041 PWs) bands (ev): 0.2423 0.2423 6.2140 6.2140 7.6622 7.6622 7.6799 7.6799 13.3201 13.3201 13.3232 13.3232 13.7268 13.7268 18.5158 18.5158 k = 0.3305 0.1908 0.1349 ( 1044 PWs) bands (ev): 0.3227 0.3227 6.0922 6.0922 7.6023 7.6023 7.6202 7.6202 13.4076 13.4076 13.4104 13.4104 13.8086 13.8086 18.6695 18.6695 k = 0.3390 0.1957 0.1384 ( 1041 PWs) bands (ev): 0.4031 0.4031 5.9728 5.9728 7.5453 7.5453 7.5634 7.5634 13.4943 13.4943 13.4967 13.4967 13.8929 13.8929 18.8197 18.8197 k = 0.3475 0.2006 0.1418 ( 1041 PWs) bands (ev): 0.4832 0.4832 5.8560 5.8560 7.4911 7.4911 7.5093 7.5093 13.5799 13.5799 13.5819 13.5819 13.9795 13.9795 18.9635 18.9635 k = 0.3559 0.2055 0.1453 ( 1035 PWs) bands (ev): 0.5628 0.5628 5.7419 5.7419 7.4397 7.4397 7.4582 7.4582 13.6641 13.6641 13.6656 13.6656 14.0683 14.0683 18.9724 18.9724 k = 0.3644 0.2104 0.1488 ( 1035 PWs) bands (ev): 0.6417 0.6417 5.6308 5.6308 7.3913 7.3913 7.4098 7.4098 13.7465 13.7465 13.7474 13.7474 14.1591 14.1591 18.8827 18.8827 k = 0.3729 0.2153 0.1522 ( 1035 PWs) bands (ev): 0.7194 0.7194 5.5230 5.5230 7.3457 7.3457 7.3644 7.3644 13.8269 13.8269 13.8270 13.8270 14.2519 14.2519 18.7841 18.7841 k = 0.3814 0.2202 0.1557 ( 1038 PWs) bands (ev): 0.7958 0.7958 5.4187 5.4187 7.3029 7.3029 7.3218 7.3218 13.9041 13.9041 13.9047 13.9047 14.3463 14.3463 18.6793 18.6793 k = 0.3898 0.2251 0.1591 ( 1038 PWs) bands (ev): 0.8705 0.8705 5.3182 5.3182 7.2631 7.2631 7.2821 7.2821 13.9781 13.9781 13.9796 13.9796 14.4420 14.4420 18.5697 18.5697 k = 0.3983 0.2300 0.1626 ( 1038 PWs) bands (ev): 0.9430 0.9430 5.2220 5.2220 7.2262 7.2262 7.2453 7.2453 14.0489 14.0489 14.0512 14.0512 14.5388 14.5388 18.4566 18.4566 k = 0.4068 0.2349 0.1661 ( 1038 PWs) bands (ev): 1.0129 1.0129 5.1303 5.1303 7.1922 7.1922 7.2115 7.2115 14.1158 14.1158 14.1191 14.1191 14.6360 14.6360 18.3412 18.3412 k = 0.4153 0.2397 0.1695 ( 1038 PWs) bands (ev): 1.0798 1.0798 5.0438 5.0438 7.1612 7.1612 7.1805 7.1805 14.1786 14.1786 14.1828 14.1828 14.7332 14.7332 18.2251 18.2251 k = 0.4237 0.2446 0.1730 ( 1038 PWs) bands (ev): 1.1430 1.1430 4.9628 4.9628 7.1331 7.1331 7.1525 7.1525 14.2368 14.2368 14.2420 14.2420 14.8294 14.8294 18.1095 18.1095 k = 0.4322 0.2495 0.1764 ( 1038 PWs) bands (ev): 1.2021 1.2021 4.8880 4.8880 7.1079 7.1079 7.1274 7.1274 14.2901 14.2901 14.2962 14.2962 14.9239 14.9239 17.9963 17.9963 k = 0.4407 0.2544 0.1799 ( 1038 PWs) bands (ev): 1.2564 1.2564 4.8199 4.8199 7.0857 7.0857 7.1053 7.1053 14.3382 14.3382 14.3450 14.3450 15.0152 15.0152 17.8870 17.8870 k = 0.4492 0.2593 0.1834 ( 1038 PWs) bands (ev): 1.3052 1.3052 4.7591 4.7591 7.0664 7.0664 7.0860 7.0860 14.3806 14.3806 14.3882 14.3882 15.1019 15.1019 17.7839 17.7839 k = 0.4576 0.2642 0.1868 ( 1038 PWs) bands (ev): 1.3480 1.3480 4.7062 4.7062 7.0501 7.0501 7.0698 7.0698 14.4170 14.4170 14.4253 14.4253 15.1820 15.1820 17.6892 17.6892 k = 0.4661 0.2691 0.1903 ( 1038 PWs) bands (ev): 1.3841 1.3841 4.6620 4.6620 7.0367 7.0367 7.0565 7.0565 14.4472 14.4472 14.4561 14.4561 15.2532 15.2532 17.6055 17.6055 k = 0.4746 0.2740 0.1937 ( 1038 PWs) bands (ev): 1.4128 1.4128 4.6268 4.6268 7.0263 7.0263 7.0461 7.0461 14.4710 14.4710 14.4803 14.4803 15.3128 15.3128 17.5359 17.5359 k = 0.4831 0.2789 0.1972 ( 1044 PWs) bands (ev): 1.4337 1.4337 4.6013 4.6013 7.0189 7.0189 7.0387 7.0387 14.4881 14.4881 14.4978 14.4978 15.3582 15.3582 17.4833 17.4833 k = 0.4915 0.2838 0.2007 ( 1056 PWs) bands (ev): 1.4464 1.4464 4.5859 4.5859 7.0144 7.0144 7.0343 7.0343 14.4984 14.4984 14.5083 14.5083 15.3866 15.3866 17.4505 17.4505 k = 0.5000 0.2887 0.2041 ( 1056 PWs) bands (ev): 1.4507 1.4507 4.5807 4.5807 7.0129 7.0129 7.0328 7.0328 14.5019 14.5019 14.5118 14.5118 15.3963 15.3963 17.4393 17.4393 k = 0.5000 0.2887 0.2041 ( 1056 PWs) bands (ev): 1.4507 1.4507 4.5807 4.5807 7.0129 7.0129 7.0328 7.0328 14.5019 14.5019 14.5118 14.5118 15.3963 15.3963 17.4393 17.4393 k = 0.5030 0.2801 0.2090 ( 1056 PWs) bands (ev): 1.4494 1.4494 4.5827 4.5827 7.0139 7.0139 7.0338 7.0338 14.4992 14.4992 14.5099 14.5099 15.3948 15.3948 17.4463 17.4463 k = 0.5060 0.2715 0.2138 ( 1050 PWs) bands (ev): 1.4456 1.4456 4.5886 4.5886 7.0169 7.0169 7.0369 7.0369 14.4880 14.4880 14.5076 14.5076 15.3902 15.3902 17.4671 17.4671 k = 0.5089 0.2629 0.2187 ( 1048 PWs) bands (ev): 1.4393 1.4393 4.5984 4.5984 7.0217 7.0217 7.0420 7.0420 14.4672 14.4672 14.5063 14.5063 15.3827 15.3827 17.5012 17.5012 k = 0.5119 0.2543 0.2236 ( 1046 PWs) bands (ev): 1.4304 1.4304 4.6121 4.6121 7.0284 7.0284 7.0492 7.0492 14.4382 14.4382 14.5052 14.5052 15.3725 15.3725 17.5477 17.5477 k = 0.5149 0.2457 0.2284 ( 1044 PWs) bands (ev): 1.4192 1.4192 4.6296 4.6296 7.0369 7.0369 7.0584 7.0584 14.4020 14.4020 14.5041 14.5041 15.3599 15.3599 17.6055 17.6055 k = 0.5179 0.2371 0.2333 ( 1040 PWs) bands (ev): 1.4056 1.4056 4.6510 4.6510 7.0469 7.0469 7.0698 7.0698 14.3595 14.3595 14.5029 14.5029 15.3451 15.3451 17.6731 17.6731 k = 0.5208 0.2285 0.2381 ( 1044 PWs) bands (ev): 1.3898 1.3898 4.6761 4.6761 7.0583 7.0583 7.0832 7.0832 14.3116 14.3116 14.5016 14.5016 15.3285 15.3285 17.7492 17.7492 k = 0.5238 0.2199 0.2430 ( 1044 PWs) bands (ev): 1.3719 1.3719 4.7050 4.7050 7.0710 7.0710 7.0989 7.0989 14.2589 14.2589 14.5003 14.5003 15.3104 15.3104 17.8321 17.8321 k = 0.5268 0.2114 0.2479 ( 1040 PWs) bands (ev): 1.3519 1.3519 4.7375 4.7375 7.0848 7.0848 7.1166 7.1166 14.2023 14.2023 14.4991 14.4991 15.2911 15.2911 17.9201 17.9201 k = 0.5298 0.2028 0.2527 ( 1038 PWs) bands (ev): 1.3300 1.3300 4.7735 4.7735 7.0995 7.0995 7.1365 7.1365 14.1424 14.1424 14.4979 14.4979 15.2711 15.2711 18.0114 18.0114 k = 0.5327 0.1942 0.2576 ( 1037 PWs) bands (ev): 1.3063 1.3063 4.8130 4.8130 7.1150 7.1150 7.1585 7.1585 14.0798 14.0798 14.4969 14.4969 15.2508 15.2508 18.1037 18.1037 k = 0.5357 0.1856 0.2624 ( 1037 PWs) bands (ev): 1.2810 1.2810 4.8559 4.8559 7.1312 7.1312 7.1824 7.1824 14.0149 14.0149 14.4962 14.4962 15.2305 15.2305 18.1949 18.1949 k = 0.5387 0.1770 0.2673 ( 1039 PWs) bands (ev): 1.2542 1.2542 4.9021 4.9021 7.1478 7.1478 7.2083 7.2083 13.9480 13.9480 14.4958 14.4958 15.2107 15.2107 18.2822 18.2822 k = 0.5417 0.1684 0.2722 ( 1041 PWs) bands (ev): 1.2260 1.2260 4.9514 4.9514 7.1648 7.1648 7.2361 7.2361 13.8794 13.8794 14.4958 14.4958 15.1917 15.1917 18.3626 18.3626 k = 0.5446 0.1598 0.2770 ( 1039 PWs) bands (ev): 1.1966 1.1966 5.0038 5.0038 7.1819 7.1819 7.2657 7.2657 13.8094 13.8094 14.4964 14.4964 15.1741 15.1741 18.4331 18.4331 k = 0.5476 0.1512 0.2819 ( 1037 PWs) bands (ev): 1.1662 1.1662 5.0591 5.0591 7.1991 7.1991 7.2971 7.2971 13.7381 13.7381 14.4976 14.4976 15.1582 15.1582 18.4905 18.4905 k = 0.5506 0.1426 0.2867 ( 1033 PWs) bands (ev): 1.1348 1.1348 5.1171 5.1171 7.2163 7.2163 7.3300 7.3300 13.6655 13.6655 14.4994 14.4994 15.1444 15.1444 18.5322 18.5322 k = 0.5536 0.1340 0.2916 ( 1033 PWs) bands (ev): 1.1026 1.1026 5.1778 5.1778 7.2332 7.2332 7.3646 7.3646 13.5917 13.5917 14.5021 14.5021 15.1330 15.1330 18.5566 18.5566 k = 0.5565 0.1254 0.2965 ( 1033 PWs) bands (ev): 1.0698 1.0698 5.2410 5.2410 7.2499 7.2499 7.4007 7.4007 13.5168 13.5168 14.5057 14.5057 15.1244 15.1244 18.5635 18.5635 k = 0.5595 0.1168 0.3013 ( 1037 PWs) bands (ev): 1.0365 1.0365 5.3064 5.3064 7.2661 7.2661 7.4381 7.4381 13.4409 13.4409 14.5102 14.5102 15.1189 15.1189 18.5539 18.5539 k = 0.5625 0.1083 0.3062 ( 1037 PWs) bands (ev): 1.0028 1.0028 5.3740 5.3740 7.2818 7.2818 7.4770 7.4770 13.3638 13.3638 14.5159 14.5159 15.1166 15.1166 18.5299 18.5299 k = 0.5655 0.0997 0.3110 ( 1037 PWs) bands (ev): 0.9688 0.9688 5.4435 5.4435 7.2969 7.2969 7.5170 7.5170 13.2858 13.2858 14.5227 14.5227 15.1177 15.1177 18.4939 18.4939 k = 0.5685 0.0911 0.3159 ( 1036 PWs) bands (ev): 0.9347 0.9347 5.5147 5.5147 7.3115 7.3115 7.5582 7.5582 13.2069 13.2069 14.5308 14.5308 15.1223 15.1223 18.4485 18.4485 k = 0.5714 0.0825 0.3208 ( 1038 PWs) bands (ev): 0.9006 0.9006 5.5875 5.5875 7.3253 7.3253 7.6005 7.6005 13.1270 13.1270 14.5401 14.5401 15.1303 15.1303 18.3959 18.3959 k = 0.5744 0.0739 0.3256 ( 1034 PWs) bands (ev): 0.8665 0.8665 5.6615 5.6615 7.3384 7.3384 7.6437 7.6437 13.0464 13.0464 14.5509 14.5509 15.1418 15.1418 18.3384 18.3384 k = 0.5774 0.0653 0.3305 ( 1032 PWs) bands (ev): 0.8327 0.8327 5.7365 5.7365 7.3508 7.3508 7.6879 7.6879 12.9651 12.9651 14.5632 14.5632 15.1566 15.1566 18.2777 18.2777 k = 0.5804 0.0567 0.3353 ( 1040 PWs) bands (ev): 0.7990 0.7990 5.8123 5.8123 7.3625 7.3625 7.7328 7.7328 12.8833 12.8833 14.5769 14.5769 15.1745 15.1745 18.2154 18.2154 k = 0.5833 0.0481 0.3402 ( 1040 PWs) bands (ev): 0.7658 0.7658 5.8887 5.8887 7.3735 7.3735 7.7785 7.7785 12.8010 12.8010 14.5922 14.5922 15.1952 15.1952 18.1529 18.1529 k = 0.5863 0.0395 0.3451 ( 1040 PWs) bands (ev): 0.7330 0.7330 5.9653 5.9653 7.3837 7.3837 7.8248 7.8248 12.7185 12.7185 14.6091 14.6091 15.2183 15.2183 18.0914 18.0914 k = 0.5893 0.0309 0.3499 ( 1038 PWs) bands (ev): 0.7008 0.7008 6.0418 6.0418 7.3933 7.3933 7.8716 7.8716 12.6358 12.6358 14.6276 14.6276 15.2436 15.2436 18.0321 18.0321 k = 0.5923 0.0223 0.3548 ( 1040 PWs) bands (ev): 0.6691 0.6691 6.1180 6.1180 7.4022 7.4022 7.9188 7.9188 12.5533 12.5533 14.6477 14.6477 15.2704 15.2704 17.9760 17.9760 k = 0.5952 0.0137 0.3596 ( 1040 PWs) bands (ev): 0.6381 0.6381 6.1936 6.1936 7.4105 7.4105 7.9665 7.9665 12.4709 12.4709 14.6694 14.6694 15.2983 15.2983 17.9241 17.9241 k = 0.5982 0.0052 0.3645 ( 1040 PWs) bands (ev): 0.6078 0.6078 6.2683 6.2683 7.4183 7.4183 8.0144 8.0144 12.3890 12.3890 14.6928 14.6928 15.3268 15.3268 17.8772 17.8772 k = 0.6012-0.0034 0.3694 ( 1040 PWs) bands (ev): 0.5783 0.5783 6.3417 6.3417 7.4255 7.4255 8.0625 8.0625 12.3077 12.3077 14.7177 14.7177 15.3553 15.3553 17.8363 17.8363 k = 0.6042-0.0120 0.3742 ( 1041 PWs) bands (ev): 0.5496 0.5496 6.4136 6.4136 7.4322 7.4322 8.1107 8.1107 12.2272 12.2272 14.7441 14.7441 15.3831 15.3831 17.8021 17.8021 k = 0.6071-0.0206 0.3791 ( 1041 PWs) bands (ev): 0.5218 0.5218 6.4836 6.4836 7.4384 7.4384 8.1590 8.1590 12.1476 12.1476 14.7719 14.7719 15.4098 15.4098 17.7754 17.7754 k = 0.6101-0.0292 0.3839 ( 1039 PWs) bands (ev): 0.4949 0.4949 6.5514 6.5514 7.4443 7.4443 8.2073 8.2073 12.0692 12.0692 14.8012 14.8012 15.4349 15.4349 17.7566 17.7566 k = 0.6131-0.0378 0.3888 ( 1037 PWs) bands (ev): 0.4689 0.4689 6.6167 6.6167 7.4498 7.4498 8.2556 8.2556 11.9920 11.9920 14.8316 14.8316 15.4580 15.4580 17.7463 17.7463 k = 0.6161-0.0464 0.3937 ( 1037 PWs) bands (ev): 0.4438 0.4438 6.6791 6.6791 7.4550 7.4550 8.3036 8.3036 11.9163 11.9163 14.8633 14.8633 15.4788 15.4788 17.7447 17.7447 k = 0.6190-0.0550 0.3985 ( 1037 PWs) bands (ev): 0.4197 0.4197 6.7385 6.7385 7.4600 7.4600 8.3515 8.3515 11.8421 11.8421 14.8959 14.8959 15.4972 15.4972 17.7517 17.7517 k = 0.6220-0.0636 0.4034 ( 1037 PWs) bands (ev): 0.3966 0.3966 6.7944 6.7944 7.4650 7.4650 8.3992 8.3992 11.7695 11.7695 14.9292 14.9292 15.5132 15.5132 17.7280 17.7280 k = 0.6250-0.0722 0.4082 ( 1043 PWs) bands (ev): 0.3744 0.3744 6.8466 6.8466 7.4699 7.4699 8.4466 8.4466 11.6987 11.6987 14.9632 14.9632 15.5269 15.5269 17.6214 17.6214 k = 0.6250-0.0722 0.4082 ( 1043 PWs) bands (ev): 0.3744 0.3744 6.8466 6.8466 7.4699 7.4699 8.4466 8.4466 11.6987 11.6987 14.9632 14.9632 15.5269 15.5269 17.6214 17.6214 k = 0.6198-0.0692 0.4168 ( 1032 PWs) bands (ev): 0.3746 0.3746 6.8478 6.8478 7.4698 7.4698 8.4428 8.4428 11.7043 11.7043 14.9581 14.9581 15.5294 15.5294 17.6178 17.6178 k = 0.6146-0.0662 0.4253 ( 1032 PWs) bands (ev): 0.3753 0.3753 6.8516 6.8516 7.4696 7.4696 8.4316 8.4316 11.7210 11.7210 14.9428 14.9428 15.5367 15.5367 17.6073 17.6073 k = 0.6094-0.0631 0.4338 ( 1032 PWs) bands (ev): 0.3765 0.3765 6.8578 6.8578 7.4691 7.4691 8.4133 8.4133 11.7485 11.7485 14.9183 14.9183 15.5480 15.5480 17.5904 17.5904 k = 0.6042-0.0601 0.4423 ( 1033 PWs) bands (ev): 0.3781 0.3781 6.8665 6.8665 7.4684 7.4684 8.3882 8.3882 11.7862 11.7862 14.8857 14.8857 15.5622 15.5622 17.5679 17.5679 k = 0.5990-0.0571 0.4508 ( 1035 PWs) bands (ev): 0.3801 0.3801 6.8775 6.8775 7.4676 7.4676 8.3572 8.3572 11.8335 11.8335 14.8462 14.8462 15.5782 15.5782 17.5405 17.5405 k = 0.5938-0.0541 0.4593 ( 1035 PWs) bands (ev): 0.3826 0.3826 6.8910 6.8910 7.4667 7.4667 8.3208 8.3208 11.8895 11.8895 14.8007 14.8007 15.5952 15.5952 17.5094 17.5094 k = 0.5885-0.0511 0.4678 ( 1035 PWs) bands (ev): 0.3853 0.3853 6.9067 6.9067 7.4656 7.4656 8.2797 8.2797 11.9534 11.9534 14.7501 14.7501 15.6123 15.6123 17.4753 17.4753 k = 0.5833-0.0481 0.4763 ( 1043 PWs) bands (ev): 0.3884 0.3884 6.9246 6.9246 7.4644 7.4644 8.2349 8.2349 12.0243 12.0243 14.6952 14.6952 15.6291 15.6291 17.4393 17.4393 k = 0.5781-0.0451 0.4848 ( 1037 PWs) bands (ev): 0.3918 0.3918 6.9446 6.9446 7.4631 7.4631 8.1869 8.1869 12.1012 12.1012 14.6364 14.6364 15.6451 15.6451 17.4024 17.4024 k = 0.5729-0.0421 0.4933 ( 1037 PWs) bands (ev): 0.3953 0.3953 6.9667 6.9667 7.4617 7.4617 8.1366 8.1366 12.1833 12.1833 14.5743 14.5743 15.6601 15.6601 17.3654 17.3654 k = 0.5677-0.0391 0.5018 ( 1041 PWs) bands (ev): 0.3991 0.3991 6.9906 6.9906 7.4604 7.4604 8.0847 8.0847 12.2697 12.2697 14.5092 14.5092 15.6739 15.6739 17.3294 17.3294 k = 0.5625-0.0361 0.5103 ( 1041 PWs) bands (ev): 0.4029 0.4029 7.0164 7.0164 7.4590 7.4590 8.0316 8.0316 12.3596 12.3596 14.4414 14.4414 15.6863 15.6863 17.2953 17.2953 k = 0.5573-0.0331 0.5188 ( 1039 PWs) bands (ev): 0.4068 0.4068 7.0438 7.0438 7.4576 7.4576 7.9780 7.9780 12.4521 12.4521 14.3711 14.3711 15.6975 15.6975 17.2640 17.2640 k = 0.5521-0.0301 0.5273 ( 1039 PWs) bands (ev): 0.4107 0.4107 7.0727 7.0727 7.4563 7.4563 7.9244 7.9244 12.5466 12.5466 14.2986 14.2986 15.7072 15.7072 17.2362 17.2362 k = 0.5469-0.0271 0.5358 ( 1037 PWs) bands (ev): 0.4145 0.4145 7.1029 7.1029 7.4550 7.4550 7.8713 7.8713 12.6424 12.6424 14.2240 14.2240 15.7156 15.7156 17.2129 17.2129 k = 0.5417-0.0241 0.5443 ( 1037 PWs) bands (ev): 0.4181 0.4181 7.1343 7.1343 7.4538 7.4538 7.8190 7.8190 12.7388 12.7388 14.1476 14.1476 15.7228 15.7228 17.1947 17.1947 k = 0.5365-0.0210 0.5528 ( 1041 PWs) bands (ev): 0.4215 0.4215 7.1667 7.1667 7.4527 7.4527 7.7680 7.7680 12.8354 12.8354 14.0694 14.0694 15.7288 15.7288 17.1823 17.1823 k = 0.5312-0.0180 0.5613 ( 1042 PWs) bands (ev): 0.4247 0.4247 7.1998 7.1998 7.4515 7.4515 7.7187 7.7187 12.9317 12.9317 13.9897 13.9897 15.7337 15.7337 17.1763 17.1763 k = 0.5260-0.0150 0.5698 ( 1042 PWs) bands (ev): 0.4275 0.4275 7.2336 7.2336 7.4501 7.4501 7.6717 7.6717 13.0271 13.0271 13.9084 13.9084 15.7376 15.7376 17.1771 17.1771 k = 0.5208-0.0120 0.5784 ( 1042 PWs) bands (ev): 0.4299 0.4299 7.2676 7.2676 7.4481 7.4481 7.6277 7.6277 13.1214 13.1214 13.8259 13.8259 15.7405 15.7405 17.1850 17.1850 k = 0.5156-0.0090 0.5869 ( 1042 PWs) bands (ev): 0.4319 0.4319 7.3014 7.3014 7.4443 7.4443 7.5882 7.5882 13.2144 13.2144 13.7420 13.7420 15.7427 15.7427 17.2001 17.2001 k = 0.5104-0.0060 0.5954 ( 1042 PWs) bands (ev): 0.4334 0.4334 7.3346 7.3346 7.4366 7.4366 7.5560 7.5560 13.3058 13.3058 13.6571 13.6571 15.7441 15.7441 17.2219 17.2219 k = 0.5052-0.0030 0.6039 ( 1040 PWs) bands (ev): 0.4343 0.4343 7.3661 7.3661 7.4220 7.4220 7.5351 7.5351 13.3954 13.3954 13.5713 13.5713 15.7449 15.7449 17.2481 17.2481 k = 0.5000-0.0000 0.6124 ( 1036 PWs) bands (ev): 0.4346 0.4346 7.3884 7.3884 7.4052 7.4052 7.5283 7.5283 13.4763 13.4763 13.4917 13.4917 15.7451 15.7451 17.2649 17.2649 k = 0.5000-0.0000 0.6124 ( 1036 PWs) bands (ev): 0.4346 0.4346 7.3884 7.3884 7.4052 7.4052 7.5283 7.5283 13.4763 13.4763 13.4917 13.4917 15.7451 15.7451 17.2649 17.2649 k = 0.5000 0.0060 0.6039 ( 1040 PWs) bands (ev): 0.4355 0.4355 7.3508 7.3508 7.4276 7.4276 7.5400 7.5400 13.4757 13.4757 13.4912 13.4912 15.7447 15.7447 17.2696 17.2696 k = 0.5000 0.0120 0.5954 ( 1042 PWs) bands (ev): 0.4383 0.4383 7.2965 7.2965 7.4415 7.4415 7.5695 7.5695 13.4739 13.4739 13.4897 13.4897 15.7433 15.7433 17.2838 17.2838 k = 0.5000 0.0180 0.5869 ( 1042 PWs) bands (ev): 0.4429 0.4429 7.2360 7.2360 7.4472 7.4472 7.6062 7.6062 13.4712 13.4712 13.4874 13.4874 15.7408 15.7408 17.3072 17.3072 k = 0.5000 0.0241 0.5784 ( 1042 PWs) bands (ev): 0.4494 0.4494 7.1712 7.1712 7.4495 7.4495 7.6435 7.6435 13.4676 13.4676 13.4845 13.4845 15.7371 15.7371 17.3397 17.3397 k = 0.5000 0.0301 0.5698 ( 1042 PWs) bands (ev): 0.4577 0.4577 7.1032 7.1032 7.4501 7.4501 7.6786 7.6786 13.4635 13.4635 13.4814 13.4814 15.7319 15.7319 17.3806 17.3806 k = 0.5000 0.0361 0.5613 ( 1042 PWs) bands (ev): 0.4678 0.4678 7.0324 7.0324 7.4499 7.4499 7.7100 7.7100 13.4592 13.4592 13.4785 13.4785 15.7251 15.7251 17.4264 17.4264 k = 0.5000 0.0421 0.5528 ( 1042 PWs) bands (ev): 0.4796 0.4796 6.9593 6.9593 7.4491 7.4491 7.7373 7.7373 13.4546 13.4546 13.4765 13.4765 15.7163 15.7163 17.4658 17.4658 k = 0.5000 0.0481 0.5443 ( 1040 PWs) bands (ev): 0.4932 0.4932 6.8842 6.8842 7.4478 7.4478 7.7601 7.7601 13.4500 13.4500 13.4762 13.4762 15.7056 15.7056 17.5047 17.5047 k = 0.5000 0.0541 0.5358 ( 1038 PWs) bands (ev): 0.5085 0.5085 6.8075 6.8075 7.4460 7.4460 7.7781 7.7781 13.4452 13.4452 13.4782 13.4782 15.6928 15.6928 17.5470 17.5470 k = 0.5000 0.0601 0.5273 ( 1040 PWs) bands (ev): 0.5254 0.5254 6.7294 6.7294 7.4437 7.4437 7.7914 7.7914 13.4406 13.4406 13.4831 13.4831 15.6779 15.6779 17.5930 17.5930 k = 0.5000 0.0662 0.5188 ( 1038 PWs) bands (ev): 0.5440 0.5440 6.6501 6.6501 7.4409 7.4409 7.7998 7.7998 13.4364 13.4364 13.4913 13.4913 15.6611 15.6611 17.6426 17.6426 k = 0.5000 0.0722 0.5103 ( 1044 PWs) bands (ev): 0.5641 0.5641 6.5698 6.5698 7.4375 7.4375 7.8035 7.8035 13.4329 13.4329 13.5033 13.5033 15.6423 15.6423 17.6955 17.6955 k = 0.5000 0.0782 0.5018 ( 1040 PWs) bands (ev): 0.5857 0.5857 6.4889 6.4889 7.4334 7.4334 7.8026 7.8026 13.4303 13.4303 13.5192 13.5192 15.6218 15.6218 17.7513 17.7513 k = 0.5000 0.0842 0.4933 ( 1040 PWs) bands (ev): 0.6088 0.6088 6.4074 6.4074 7.4287 7.4287 7.7972 7.7972 13.4291 13.4291 13.5390 13.5390 15.5998 15.5998 17.8097 17.8097 k = 0.5000 0.0902 0.4848 ( 1040 PWs) bands (ev): 0.6332 0.6332 6.3256 6.3256 7.4233 7.4233 7.7875 7.7875 13.4293 13.4293 13.5630 13.5630 15.5764 15.5764 17.8703 17.8703 k = 0.5000 0.0962 0.4763 ( 1042 PWs) bands (ev): 0.6589 0.6589 6.2437 6.2437 7.4170 7.4170 7.7739 7.7739 13.4314 13.4314 13.5910 13.5910 15.5520 15.5520 17.9327 17.9327 k = 0.5000 0.1022 0.4678 ( 1040 PWs) bands (ev): 0.6858 0.6858 6.1619 6.1619 7.4100 7.4100 7.7567 7.7567 13.4356 13.4356 13.6230 13.6230 15.5266 15.5266 17.9964 17.9964 k = 0.5000 0.1083 0.4593 ( 1036 PWs) bands (ev): 0.7138 0.7138 6.0804 6.0804 7.4021 7.4021 7.7361 7.7361 13.4420 13.4420 13.6586 13.6586 15.5007 15.5007 18.0610 18.0610 k = 0.5000 0.1143 0.4508 ( 1042 PWs) bands (ev): 0.7429 0.7429 5.9993 5.9993 7.3933 7.3933 7.7126 7.7126 13.4509 13.4509 13.6978 13.6978 15.4744 15.4744 18.1258 18.1258 k = 0.5000 0.1203 0.4423 ( 1042 PWs) bands (ev): 0.7729 0.7729 5.9189 5.9189 7.3835 7.3835 7.6865 7.6865 13.4625 13.4625 13.7400 13.7400 15.4481 15.4481 18.1902 18.1902 k = 0.5000 0.1263 0.4338 ( 1038 PWs) bands (ev): 0.8037 0.8037 5.8393 5.8393 7.3729 7.3729 7.6582 7.6582 13.4769 13.4769 13.7851 13.7851 15.4219 15.4219 18.2536 18.2536 k = 0.5000 0.1323 0.4253 ( 1038 PWs) bands (ev): 0.8352 0.8352 5.7607 5.7607 7.3613 7.3613 7.6280 7.6280 13.4943 13.4943 13.8325 13.8325 15.3962 15.3962 18.3150 18.3150 k = 0.5000 0.1383 0.4168 ( 1042 PWs) bands (ev): 0.8674 0.8674 5.6833 5.6833 7.3488 7.3488 7.5963 7.5963 13.5147 13.5147 13.8817 13.8817 15.3712 15.3712 18.3734 18.3734 k = 0.5000 0.1443 0.4082 ( 1042 PWs) bands (ev): 0.9000 0.9000 5.6072 5.6072 7.3355 7.3355 7.5634 7.5634 13.5383 13.5383 13.9323 13.9323 15.3473 15.3473 18.4277 18.4277 k = 0.5000 0.1504 0.3997 ( 1042 PWs) bands (ev): 0.9330 0.9330 5.5327 5.5327 7.3213 7.3213 7.5298 7.5298 13.5651 13.5651 13.9837 13.9837 15.3247 15.3247 18.4763 18.4763 k = 0.5000 0.1564 0.3912 ( 1038 PWs) bands (ev): 0.9662 0.9662 5.4599 5.4599 7.3063 7.3063 7.4957 7.4957 13.5951 13.5951 14.0353 14.0354 15.3038 15.3038 18.5176 18.5176 k = 0.5000 0.1624 0.3827 ( 1038 PWs) bands (ev): 0.9995 0.9995 5.3890 5.3890 7.2905 7.2905 7.4614 7.4614 13.6283 13.6283 14.0866 14.0866 15.2848 15.2848 18.5496 18.5496 k = 0.5000 0.1684 0.3742 ( 1040 PWs) bands (ev): 1.0327 1.0327 5.3201 5.3201 7.2742 7.2742 7.4272 7.4272 13.6646 13.6646 14.1369 14.1369 15.2681 15.2681 18.5700 18.5700 k = 0.5000 0.1744 0.3657 ( 1036 PWs) bands (ev): 1.0657 1.0657 5.2534 5.2534 7.2573 7.2573 7.3933 7.3933 13.7040 13.7040 14.1855 14.1855 15.2541 15.2541 18.5767 18.5767 k = 0.5000 0.1804 0.3572 ( 1036 PWs) bands (ev): 1.0984 1.0984 5.1891 5.1891 7.2400 7.2400 7.3601 7.3601 13.7463 13.7463 14.2319 14.2319 15.2431 15.2431 18.5679 18.5679 k = 0.5000 0.1864 0.3487 ( 1034 PWs) bands (ev): 1.1305 1.1305 5.1273 5.1273 7.2223 7.2223 7.3276 7.3276 13.7913 13.7913 14.2753 14.2753 15.2353 15.2353 18.5425 18.5425 k = 0.5000 0.1925 0.3402 ( 1034 PWs) bands (ev): 1.1620 1.1620 5.0682 5.0682 7.2045 7.2045 7.2962 7.2962 13.8389 13.8389 14.3153 14.3153 15.2311 15.2311 18.5006 18.5006 k = 0.5000 0.1985 0.3317 ( 1034 PWs) bands (ev): 1.1926 1.1926 5.0120 5.0120 7.1866 7.1866 7.2659 7.2659 13.8887 13.8887 14.3514 14.3514 15.2306 15.2306 18.4433 18.4433 k = 0.5000 0.2045 0.3232 ( 1030 PWs) bands (ev): 1.2223 1.2223 4.9586 4.9586 7.1688 7.1688 7.2371 7.2371 13.9404 13.9404 14.3832 14.3832 15.2339 15.2339 18.3731 18.3731 k = 0.5000 0.2105 0.3147 ( 1030 PWs) bands (ev): 1.2508 1.2508 4.9084 4.9084 7.1512 7.1512 7.2097 7.2097 13.9937 13.9937 14.4105 14.4105 15.2407 15.2407 18.2927 18.2927 k = 0.5000 0.2165 0.3062 ( 1026 PWs) bands (ev): 1.2779 1.2779 4.8614 4.8614 7.1341 7.1341 7.1840 7.1840 14.0481 14.0481 14.4335 14.4335 15.2507 15.2507 18.2052 18.2052 k = 0.5000 0.2225 0.2977 ( 1030 PWs) bands (ev): 1.3036 1.3036 4.8177 4.8177 7.1174 7.1174 7.1601 7.1601 14.1030 14.1030 14.4524 14.4524 15.2636 15.2636 18.1136 18.1136 k = 0.5000 0.2285 0.2892 ( 1030 PWs) bands (ev): 1.3277 1.3277 4.7774 4.7774 7.1015 7.1015 7.1381 7.1381 14.1577 14.1577 14.4674 14.4674 15.2785 15.2785 18.0205 18.0205 k = 0.5000 0.2345 0.2807 ( 1040 PWs) bands (ev): 1.3499 1.3499 4.7406 4.7406 7.0864 7.0864 7.1180 7.1180 14.2117 14.2117 14.4790 14.4790 15.2948 15.2948 17.9282 17.9282 k = 0.5000 0.2406 0.2722 ( 1040 PWs) bands (ev): 1.3703 1.3703 4.7075 4.7075 7.0722 7.0722 7.1001 7.1001 14.2640 14.2640 14.4878 14.4878 15.3118 15.3118 17.8391 17.8391 k = 0.5000 0.2466 0.2637 ( 1040 PWs) bands (ev): 1.3886 1.3886 4.6781 4.6781 7.0593 7.0593 7.0842 7.0842 14.3138 14.3138 14.4943 14.4943 15.3287 15.3287 17.7549 17.7549 k = 0.5000 0.2526 0.2552 ( 1040 PWs) bands (ev): 1.4047 1.4047 4.6525 4.6525 7.0476 7.0476 7.0705 7.0705 14.3600 14.3600 14.4989 14.4989 15.3448 15.3448 17.6776 17.6776 k = 0.5000 0.2586 0.2467 ( 1044 PWs) bands (ev): 1.4186 1.4186 4.6306 4.6306 7.0373 7.0373 7.0589 7.0589 14.4016 14.4016 14.5022 14.5022 15.3594 15.3594 17.6087 17.6087 k = 0.5000 0.2646 0.2381 ( 1044 PWs) bands (ev): 1.4300 1.4300 4.6127 4.6127 7.0288 7.0288 7.0495 7.0495 14.4376 14.4376 14.5044 14.5044 15.3721 15.3721 17.5499 17.5499 k = 0.5000 0.2706 0.2296 ( 1048 PWs) bands (ev): 1.4390 1.4390 4.5987 4.5987 7.0219 7.0219 7.0422 7.0422 14.4667 14.4667 14.5061 14.5061 15.3825 15.3825 17.5025 17.5025 k = 0.5000 0.2766 0.2211 ( 1052 PWs) bands (ev): 1.4455 1.4455 4.5887 4.5887 7.0170 7.0170 7.0370 7.0370 14.4877 14.4877 14.5076 14.5076 15.3901 15.3901 17.4677 17.4677 k = 0.5000 0.2827 0.2126 ( 1056 PWs) bands (ev): 1.4494 1.4494 4.5827 4.5827 7.0140 7.0140 7.0338 7.0338 14.4991 14.4991 14.5099 14.5099 15.3947 15.3947 17.4464 17.4464 k = 0.5000 0.2887 0.2041 ( 1056 PWs) bands (ev): 1.4507 1.4507 4.5807 4.5807 7.0129 7.0129 7.0328 7.0328 14.5019 14.5019 14.5118 14.5118 15.3963 15.3963 17.4393 17.4393 k = 0.5000 0.2887 0.2041 ( 1056 PWs) bands (ev): 1.4507 1.4507 4.5807 4.5807 7.0129 7.0129 7.0328 7.0328 14.5019 14.5019 14.5118 14.5118 15.3963 15.3963 17.4393 17.4393 k = 0.4970 0.2870 0.2138 ( 1056 PWs) bands (ev): 1.4494 1.4494 4.5827 4.5827 7.0139 7.0139 7.0338 7.0338 14.4992 14.4992 14.5099 14.5099 15.3948 15.3948 17.4463 17.4463 k = 0.4940 0.2852 0.2236 ( 1050 PWs) bands (ev): 1.4456 1.4456 4.5886 4.5886 7.0169 7.0169 7.0369 7.0369 14.4880 14.4880 14.5076 14.5076 15.3902 15.3902 17.4671 17.4671 k = 0.4911 0.2835 0.2333 ( 1048 PWs) bands (ev): 1.4393 1.4393 4.5984 4.5984 7.0217 7.0217 7.0420 7.0420 14.4672 14.4672 14.5063 14.5063 15.3827 15.3827 17.5012 17.5012 k = 0.4881 0.2818 0.2430 ( 1046 PWs) bands (ev): 1.4304 1.4304 4.6121 4.6121 7.0284 7.0284 7.0492 7.0492 14.4382 14.4382 14.5052 14.5052 15.3725 15.3725 17.5477 17.5477 k = 0.4851 0.2801 0.2527 ( 1044 PWs) bands (ev): 1.4192 1.4192 4.6296 4.6296 7.0369 7.0369 7.0584 7.0584 14.4020 14.4020 14.5041 14.5041 15.3599 15.3599 17.6055 17.6055 k = 0.4821 0.2784 0.2624 ( 1040 PWs) bands (ev): 1.4056 1.4056 4.6510 4.6510 7.0469 7.0469 7.0698 7.0698 14.3595 14.3595 14.5029 14.5029 15.3451 15.3451 17.6731 17.6731 k = 0.4792 0.2766 0.2722 ( 1044 PWs) bands (ev): 1.3898 1.3898 4.6761 4.6761 7.0583 7.0583 7.0832 7.0832 14.3116 14.3116 14.5016 14.5016 15.3285 15.3285 17.7492 17.7492 k = 0.4762 0.2749 0.2819 ( 1044 PWs) bands (ev): 1.3719 1.3719 4.7050 4.7050 7.0710 7.0710 7.0989 7.0989 14.2589 14.2589 14.5003 14.5003 15.3104 15.3104 17.8321 17.8321 k = 0.4732 0.2732 0.2916 ( 1040 PWs) bands (ev): 1.3519 1.3519 4.7375 4.7375 7.0848 7.0848 7.1166 7.1166 14.2023 14.2023 14.4991 14.4991 15.2911 15.2911 17.9201 17.9201 k = 0.4702 0.2715 0.3013 ( 1038 PWs) bands (ev): 1.3300 1.3300 4.7735 4.7735 7.0995 7.0995 7.1365 7.1365 14.1424 14.1424 14.4979 14.4979 15.2711 15.2711 18.0114 18.0114 k = 0.4673 0.2698 0.3110 ( 1037 PWs) bands (ev): 1.3063 1.3063 4.8130 4.8130 7.1150 7.1150 7.1585 7.1585 14.0798 14.0798 14.4969 14.4969 15.2508 15.2508 18.1037 18.1037 k = 0.4643 0.2681 0.3208 ( 1037 PWs) bands (ev): 1.2810 1.2810 4.8559 4.8559 7.1312 7.1312 7.1824 7.1824 14.0149 14.0149 14.4962 14.4962 15.2305 15.2305 18.1949 18.1949 k = 0.4613 0.2663 0.3305 ( 1039 PWs) bands (ev): 1.2542 1.2542 4.9021 4.9021 7.1478 7.1478 7.2083 7.2083 13.9480 13.9480 14.4958 14.4958 15.2107 15.2107 18.2822 18.2822 k = 0.4583 0.2646 0.3402 ( 1041 PWs) bands (ev): 1.2260 1.2260 4.9514 4.9514 7.1648 7.1648 7.2361 7.2361 13.8794 13.8794 14.4958 14.4958 15.1917 15.1917 18.3626 18.3626 k = 0.4554 0.2629 0.3499 ( 1039 PWs) bands (ev): 1.1966 1.1966 5.0038 5.0038 7.1819 7.1819 7.2657 7.2657 13.8094 13.8094 14.4964 14.4964 15.1741 15.1741 18.4331 18.4331 k = 0.4524 0.2612 0.3596 ( 1037 PWs) bands (ev): 1.1662 1.1662 5.0591 5.0591 7.1991 7.1991 7.2971 7.2971 13.7381 13.7381 14.4976 14.4976 15.1582 15.1582 18.4905 18.4905 k = 0.4494 0.2595 0.3694 ( 1033 PWs) bands (ev): 1.1348 1.1348 5.1171 5.1171 7.2163 7.2163 7.3300 7.3300 13.6655 13.6655 14.4994 14.4994 15.1444 15.1444 18.5322 18.5322 k = 0.4464 0.2577 0.3791 ( 1033 PWs) bands (ev): 1.1026 1.1026 5.1778 5.1778 7.2332 7.2332 7.3646 7.3646 13.5917 13.5917 14.5021 14.5021 15.1330 15.1330 18.5566 18.5566 k = 0.4435 0.2560 0.3888 ( 1033 PWs) bands (ev): 1.0698 1.0698 5.2410 5.2410 7.2499 7.2499 7.4007 7.4007 13.5168 13.5168 14.5057 14.5057 15.1244 15.1244 18.5635 18.5635 k = 0.4405 0.2543 0.3985 ( 1037 PWs) bands (ev): 1.0365 1.0365 5.3064 5.3064 7.2661 7.2661 7.4381 7.4381 13.4409 13.4409 14.5102 14.5102 15.1189 15.1189 18.5539 18.5539 k = 0.4375 0.2526 0.4082 ( 1037 PWs) bands (ev): 1.0028 1.0028 5.3740 5.3740 7.2818 7.2818 7.4770 7.4770 13.3638 13.3638 14.5159 14.5159 15.1166 15.1166 18.5299 18.5299 k = 0.4345 0.2509 0.4180 ( 1037 PWs) bands (ev): 0.9688 0.9688 5.4435 5.4435 7.2969 7.2969 7.5170 7.5170 13.2858 13.2858 14.5227 14.5227 15.1177 15.1177 18.4939 18.4939 k = 0.4315 0.2492 0.4277 ( 1036 PWs) bands (ev): 0.9347 0.9347 5.5147 5.5147 7.3115 7.3115 7.5582 7.5582 13.2069 13.2069 14.5308 14.5308 15.1223 15.1223 18.4485 18.4485 k = 0.4286 0.2474 0.4374 ( 1038 PWs) bands (ev): 0.9006 0.9006 5.5875 5.5875 7.3253 7.3253 7.6005 7.6005 13.1270 13.1270 14.5401 14.5401 15.1303 15.1303 18.3959 18.3959 k = 0.4256 0.2457 0.4471 ( 1034 PWs) bands (ev): 0.8665 0.8665 5.6615 5.6615 7.3384 7.3384 7.6437 7.6437 13.0464 13.0464 14.5509 14.5509 15.1418 15.1418 18.3384 18.3384 k = 0.4226 0.2440 0.4568 ( 1032 PWs) bands (ev): 0.8327 0.8327 5.7365 5.7365 7.3508 7.3508 7.6879 7.6879 12.9651 12.9651 14.5632 14.5632 15.1566 15.1566 18.2777 18.2777 k = 0.4196 0.2423 0.4666 ( 1040 PWs) bands (ev): 0.7990 0.7990 5.8123 5.8123 7.3625 7.3625 7.7328 7.7328 12.8833 12.8833 14.5769 14.5769 15.1745 15.1745 18.2154 18.2154 k = 0.4167 0.2406 0.4763 ( 1040 PWs) bands (ev): 0.7658 0.7658 5.8887 5.8887 7.3735 7.3735 7.7785 7.7785 12.8010 12.8010 14.5922 14.5922 15.1952 15.1952 18.1529 18.1529 k = 0.4137 0.2388 0.4860 ( 1040 PWs) bands (ev): 0.7330 0.7330 5.9653 5.9653 7.3837 7.3837 7.8248 7.8248 12.7185 12.7185 14.6091 14.6091 15.2183 15.2183 18.0914 18.0914 k = 0.4107 0.2371 0.4957 ( 1038 PWs) bands (ev): 0.7008 0.7008 6.0418 6.0418 7.3933 7.3933 7.8716 7.8716 12.6358 12.6358 14.6276 14.6276 15.2436 15.2436 18.0321 18.0321 k = 0.4077 0.2354 0.5055 ( 1040 PWs) bands (ev): 0.6691 0.6691 6.1180 6.1180 7.4022 7.4022 7.9188 7.9188 12.5533 12.5533 14.6477 14.6477 15.2704 15.2704 17.9760 17.9760 k = 0.4048 0.2337 0.5152 ( 1040 PWs) bands (ev): 0.6381 0.6381 6.1936 6.1936 7.4105 7.4105 7.9665 7.9665 12.4709 12.4709 14.6694 14.6694 15.2983 15.2983 17.9241 17.9241 k = 0.4018 0.2320 0.5249 ( 1040 PWs) bands (ev): 0.6078 0.6078 6.2683 6.2683 7.4183 7.4183 8.0144 8.0144 12.3890 12.3890 14.6928 14.6928 15.3268 15.3268 17.8772 17.8772 k = 0.3988 0.2303 0.5346 ( 1040 PWs) bands (ev): 0.5783 0.5783 6.3417 6.3417 7.4255 7.4255 8.0625 8.0625 12.3077 12.3077 14.7177 14.7177 15.3553 15.3553 17.8363 17.8363 k = 0.3958 0.2285 0.5443 ( 1041 PWs) bands (ev): 0.5496 0.5496 6.4136 6.4136 7.4322 7.4322 8.1107 8.1107 12.2272 12.2272 14.7441 14.7441 15.3831 15.3831 17.8021 17.8021 k = 0.3929 0.2268 0.5541 ( 1041 PWs) bands (ev): 0.5218 0.5218 6.4836 6.4836 7.4384 7.4384 8.1590 8.1590 12.1476 12.1476 14.7719 14.7719 15.4098 15.4098 17.7754 17.7754 k = 0.3899 0.2251 0.5638 ( 1039 PWs) bands (ev): 0.4949 0.4949 6.5514 6.5514 7.4443 7.4443 8.2073 8.2073 12.0692 12.0692 14.8012 14.8012 15.4349 15.4349 17.7566 17.7566 k = 0.3869 0.2234 0.5735 ( 1037 PWs) bands (ev): 0.4689 0.4689 6.6167 6.6167 7.4498 7.4498 8.2556 8.2556 11.9920 11.9920 14.8316 14.8316 15.4580 15.4580 17.7463 17.7463 k = 0.3839 0.2217 0.5832 ( 1037 PWs) bands (ev): 0.4438 0.4438 6.6791 6.6791 7.4550 7.4550 8.3036 8.3036 11.9163 11.9163 14.8633 14.8633 15.4788 15.4788 17.7447 17.7447 k = 0.3810 0.2199 0.5929 ( 1037 PWs) bands (ev): 0.4197 0.4197 6.7385 6.7385 7.4600 7.4600 8.3515 8.3515 11.8421 11.8421 14.8959 14.8959 15.4972 15.4972 17.7517 17.7517 k = 0.3780 0.2182 0.6027 ( 1037 PWs) bands (ev): 0.3966 0.3966 6.7944 6.7944 7.4650 7.4650 8.3992 8.3992 11.7695 11.7695 14.9292 14.9292 15.5132 15.5132 17.7280 17.7280 k = 0.3750 0.2165 0.6124 ( 1043 PWs) bands (ev): 0.3744 0.3744 6.8466 6.8466 7.4699 7.4699 8.4466 8.4466 11.6987 11.6987 14.9632 14.9632 15.5269 15.5269 17.6214 17.6214 k = 0.6250-0.0722 0.4082 ( 1043 PWs) bands (ev): 0.3744 0.3744 6.8466 6.8466 7.4699 7.4699 8.4466 8.4466 11.6987 11.6987 14.9632 14.9632 15.5269 15.5269 17.6214 17.6214 k = 0.6198-0.0812 0.4082 ( 1033 PWs) bands (ev): 0.3365 0.3365 6.9343 6.9343 7.4792 7.4792 8.5305 8.5305 11.5785 11.5785 15.0222 15.0222 15.5482 15.5482 17.4337 17.4337 k = 0.6146-0.0902 0.4082 ( 1033 PWs) bands (ev): 0.2989 0.2989 7.0216 7.0216 7.4892 7.4892 8.6167 8.6167 11.4628 11.4628 15.0792 15.0792 15.5682 15.5682 17.2466 17.2466 k = 0.6094-0.0992 0.4082 ( 1033 PWs) bands (ev): 0.2618 0.2618 7.1080 7.1080 7.5001 7.5001 8.7051 8.7051 11.3518 11.3518 15.1342 15.1342 15.5867 15.5867 17.0604 17.0604 k = 0.6042-0.1083 0.4082 ( 1037 PWs) bands (ev): 0.2252 0.2252 7.1928 7.1928 7.5118 7.5118 8.7955 8.7955 11.2457 11.2457 15.1871 15.1871 15.6039 15.6039 16.8757 16.8757 k = 0.5990-0.1173 0.4082 ( 1037 PWs) bands (ev): 0.1895 0.1895 7.2752 7.2752 7.5249 7.5249 8.8875 8.8875 11.1446 11.1446 15.2377 15.2377 15.6198 15.6198 16.6930 16.6930 k = 0.5938-0.1263 0.4082 ( 1037 PWs) bands (ev): 0.1548 0.1548 7.3536 7.3536 7.5403 7.5403 8.9809 8.9809 11.0488 11.0488 15.2861 15.2861 15.6343 15.6343 16.5128 16.5128 k = 0.5885-0.1353 0.4082 ( 1037 PWs) bands (ev): 0.1212 0.1212 7.4249 7.4249 7.5606 7.5606 9.0755 9.0755 10.9584 10.9584 15.3320 15.3320 15.6475 15.6475 16.3357 16.3357 k = 0.5833-0.1443 0.4082 ( 1037 PWs) bands (ev): 0.0888 0.0888 7.4822 7.4822 7.5922 7.5922 9.1707 9.1707 10.8735 10.8735 15.3754 15.3754 15.6592 15.6592 16.1625 16.1625 k = 0.5781-0.1534 0.4082 ( 1037 PWs) bands (ev): 0.0578 0.0578 7.5194 7.5194 7.6408 7.6408 9.2663 9.2663 10.7943 10.7943 15.4162 15.4162 15.6686 15.6686 15.9945 15.9945 k = 0.5729-0.1624 0.4082 ( 1033 PWs) bands (ev): 0.0283 0.0283 7.5419 7.5419 7.7004 7.7004 9.3617 9.3617 10.7208 10.7208 15.4539 15.4539 15.6719 15.6719 15.8367 15.8367 k = 0.5677-0.1714 0.4082 ( 1033 PWs) bands (ev): 0.0004 0.0004 7.5578 7.5578 7.7627 7.7627 9.4564 9.4564 10.6530 10.6530 15.4873 15.4873 15.6303 15.6303 15.7296 15.7296 k = 0.5625-0.1804 0.4082 ( 1033 PWs) bands (ev): -0.0258 -0.0258 7.5706 7.5706 7.8235 7.8235 9.5498 9.5498 10.5911 10.5911 15.4784 15.4784 15.5389 15.5389 15.7170 15.7170 k = 0.5573-0.1894 0.4082 ( 1033 PWs) bands (ev): -0.0502 -0.0502 7.5816 7.5816 7.8812 7.8812 9.6412 9.6412 10.5350 10.5350 15.3450 15.3450 15.5579 15.5579 15.7216 15.7216 k = 0.5521-0.1985 0.4082 ( 1033 PWs) bands (ev): -0.0727 -0.0727 7.5915 7.5915 7.9350 7.9350 9.7297 9.7297 10.4848 10.4848 15.2066 15.2066 15.5835 15.5835 15.7284 15.7284 k = 0.5469-0.2075 0.4082 ( 1031 PWs) bands (ev): -0.0933 -0.0933 7.6004 7.6004 7.9842 7.9842 9.8144 9.8144 10.4404 10.4404 15.0749 15.0749 15.6068 15.6068 15.7357 15.7357 k = 0.5417-0.2165 0.4082 ( 1025 PWs) bands (ev): -0.1119 -0.1119 7.6083 7.6083 8.0286 8.0286 9.8942 9.8942 10.4020 10.4020 14.9519 14.9519 15.6272 15.6272 15.7432 15.7432 k = 0.5365-0.2255 0.4082 ( 1033 PWs) bands (ev): -0.1285 -0.1285 7.6154 7.6154 8.0680 8.0680 9.9679 9.9679 10.3694 10.3694 14.8390 14.8390 15.6446 15.6446 15.7506 15.7506 k = 0.5312-0.2345 0.4082 ( 1029 PWs) bands (ev): -0.1430 -0.1430 7.6216 7.6216 8.1023 8.1023 10.0339 10.0339 10.3429 10.3429 14.7376 14.7376 15.6588 15.6588 15.7578 15.7578 k = 0.5260-0.2436 0.4082 ( 1033 PWs) bands (ev): -0.1553 -0.1553 7.6269 7.6269 8.1312 8.1312 10.0905 10.0905 10.3230 10.3230 14.6490 14.6490 15.6702 15.6702 15.7647 15.7647 k = 0.5208-0.2526 0.4082 ( 1034 PWs) bands (ev): -0.1654 -0.1654 7.6312 7.6312 8.1549 8.1549 10.1354 10.1354 10.3104 10.3104 14.5743 14.5743 15.6789 15.6789 15.7709 15.7709 k = 0.5156-0.2616 0.4082 ( 1034 PWs) bands (ev): -0.1733 -0.1733 7.6346 7.6346 8.1733 8.1733 10.1669 10.1669 10.3058 10.3058 14.5148 14.5148 15.6853 15.6853 15.7761 15.7761 k = 0.5104-0.2706 0.4082 ( 1034 PWs) bands (ev): -0.1789 -0.1789 7.6371 7.6371 8.1865 8.1865 10.1848 10.1848 10.3080 10.3080 14.4714 14.4714 15.6897 15.6897 15.7800 15.7800 k = 0.5052-0.2797 0.4082 ( 1034 PWs) bands (ev): -0.1823 -0.1823 7.6385 7.6385 8.1943 8.1943 10.1928 10.1928 10.3125 10.3125 14.4451 14.4451 15.6922 15.6922 15.7825 15.7825 k = 0.5000-0.2887 0.4082 ( 1034 PWs) bands (ev): -0.1835 -0.1835 7.6390 7.6390 8.1970 8.1970 10.1949 10.1949 10.3146 10.3146 14.4362 14.4362 15.6930 15.6930 15.7833 15.7833 Writing output data file ZrC.save init_run : 0.05s CPU 0.18s WALL ( 1 calls) electrons : 25.71s CPU 27.03s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.00s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 25.71s CPU 27.02s 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 : 0.00s CPU 0.00s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 447 calls) cegterg : 23.09s CPU 23.66s WALL ( 472 calls) Called by sum_band: Called by *egterg: h_psi : 11.14s CPU 11.65s WALL ( 7294 calls) s_psi : 0.12s CPU 0.11s WALL ( 7294 calls) g_psi : 0.03s CPU 0.03s WALL ( 6375 calls) cdiaghg : 11.88s CPU 12.08s WALL ( 6822 calls) cegterg:over : 0.80s CPU 0.72s WALL ( 6375 calls) cegterg:upda : 0.50s CPU 0.52s WALL ( 6375 calls) cegterg:last : 0.28s CPU 0.28s WALL ( 1367 calls) cdiaghg:chol : 0.71s CPU 0.68s WALL ( 6822 calls) cdiaghg:inve : 0.15s CPU 0.15s WALL ( 6822 calls) cdiaghg:para : 0.86s CPU 0.88s WALL ( 13644 calls) Called by h_psi: h_psi:vloc : 10.53s CPU 11.04s WALL ( 7294 calls) h_psi:vnl : 0.61s CPU 0.58s WALL ( 7294 calls) add_vuspsi : 0.24s CPU 0.21s WALL ( 7294 calls) General routines calbec : 0.33s CPU 0.36s WALL ( 7294 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 9.66s CPU 10.26s WALL ( 299852 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.05s CPU 0.13s WALL ( 894 calls) Parallel routines fft_scatter : 5.22s CPU 5.39s WALL ( 299875 calls) PWSCF : 30.64s CPU 53.13s WALL This run was terminated on: 17:54: 8 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=