Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:14:47 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: ./NaF.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 23 19 5 457 337 55 Max 24 20 6 462 350 59 Sum 847 703 211 16529 12387 2085 bravais-lattice index = 14 lattice parameter (alat) = 6.2001 a.u. unit-cell volume = 168.5351 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 16.00 number of Kohn-Sham states= 24 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.200145 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 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 F 7.00 18.99840 F( 1.00) Na 9.00 22.98980 Na( 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 0.4558824), wk = 0.0022371 k( 64) = ( 0.4632353 -0.0000000 0.4632353), wk = 0.0022371 k( 65) = ( 0.4705882 0.0000000 0.4705882), wk = 0.0022371 k( 66) = ( 0.4779412 -0.0000000 0.4779412), wk = 0.0022371 k( 67) = ( 0.4852941 -0.0000000 0.4852941), wk = 0.0022371 k( 68) = ( 0.4926471 -0.0000000 0.4926471), wk = 0.0022371 k( 69) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022371 k( 70) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022371 k( 71) = ( 0.5000000 0.0073529 0.5073529), wk = 0.0022371 k( 72) = ( 0.5000000 0.0147059 0.5147059), wk = 0.0022371 k( 73) = ( 0.5000000 0.0220588 0.5220588), wk = 0.0022371 k( 74) = ( 0.5000000 0.0294118 0.5294118), wk = 0.0022371 k( 75) = ( 0.5000000 0.0367647 0.5367647), wk = 0.0022371 k( 76) = ( 0.5000000 0.0441177 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 0.5808824), wk = 0.0022371 k( 82) = ( 0.5000000 0.0882353 0.5882353), wk = 0.0022371 k( 83) = ( 0.5000000 0.0955882 0.5955882), wk = 0.0022371 k( 84) = ( 0.5000000 0.1029412 0.6029412), wk = 0.0022371 k( 85) = ( 0.5000000 0.1102941 0.6102941), wk = 0.0022371 k( 86) = ( 0.5000000 0.1176471 0.6176471), wk = 0.0022371 k( 87) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0022371 k( 88) = ( 0.5000000 0.1323529 0.6323529), wk = 0.0022371 k( 89) = ( 0.5000000 0.1397059 0.6397059), wk = 0.0022371 k( 90) = ( 0.5000000 0.1470588 0.6470588), wk = 0.0022371 k( 91) = ( 0.5000000 0.1544118 0.6544118), wk = 0.0022371 k( 92) = ( 0.5000000 0.1617647 0.6617647), wk = 0.0022371 k( 93) = ( 0.5000000 0.1691177 0.6691177), wk = 0.0022371 k( 94) = ( 0.5000000 0.1764706 0.6764706), wk = 0.0022371 k( 95) = ( 0.5000000 0.1838235 0.6838235), wk = 0.0022371 k( 96) = ( 0.5000000 0.1911765 0.6911765), wk = 0.0022371 k( 97) = ( 0.5000000 0.1985294 0.6985294), wk = 0.0022371 k( 98) = ( 0.5000000 0.2058823 0.7058823), wk = 0.0022371 k( 99) = ( 0.5000000 0.2132353 0.7132353), wk = 0.0022371 k( 100) = ( 0.5000000 0.2205882 0.7205882), wk = 0.0022371 k( 101) = ( 0.5000000 0.2279412 0.7279412), wk = 0.0022371 k( 102) = ( 0.5000000 0.2352941 0.7352941), wk = 0.0022371 k( 103) = ( 0.5000000 0.2426471 0.7426471), wk = 0.0022371 k( 104) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0022371 k( 105) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0022371 k( 106) = ( 0.4947917 0.2552083 0.7500000), wk = 0.0022371 k( 107) = ( 0.4895833 0.2604167 0.7500000), wk = 0.0022371 k( 108) = ( 0.4843750 0.2656250 0.7500000), wk = 0.0022371 k( 109) = ( 0.4791667 0.2708333 0.7500000), wk = 0.0022371 k( 110) = ( 0.4739583 0.2760417 0.7500000), wk = 0.0022371 k( 111) = ( 0.4687500 0.2812500 0.7500000), wk = 0.0022371 k( 112) = ( 0.4635417 0.2864583 0.7500000), wk = 0.0022371 k( 113) = ( 0.4583333 0.2916667 0.7500000), wk = 0.0022371 k( 114) = ( 0.4531250 0.2968750 0.7500000), wk = 0.0022371 k( 115) = ( 0.4479167 0.3020833 0.7500000), wk = 0.0022371 k( 116) = ( 0.4427083 0.3072917 0.7500000), wk = 0.0022371 k( 117) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0022371 k( 118) = ( 0.4322917 0.3177083 0.7500000), wk = 0.0022371 k( 119) = ( 0.4270833 0.3229167 0.7500000), wk = 0.0022371 k( 120) = ( 0.4218750 0.3281250 0.7500000), wk = 0.0022371 k( 121) = ( 0.4166667 0.3333333 0.7500000), wk = 0.0022371 k( 122) = ( 0.4114583 0.3385417 0.7500000), wk = 0.0022371 k( 123) = ( 0.4062500 0.3437500 0.7500000), wk = 0.0022371 k( 124) = ( 0.4010417 0.3489583 0.7500000), wk = 0.0022371 k( 125) = ( 0.3958333 0.3541667 0.7500000), wk = 0.0022371 k( 126) = ( 0.3906250 0.3593750 0.7500000), wk = 0.0022371 k( 127) = ( 0.3854167 0.3645833 0.7500000), wk = 0.0022371 k( 128) = ( 0.3802083 0.3697917 0.7500000), wk = 0.0022371 k( 129) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0022371 k( 130) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0022371 k( 131) = ( 0.3697917 0.3697917 0.7395833), wk = 0.0022371 k( 132) = ( 0.3645833 0.3645833 0.7291667), wk = 0.0022371 k( 133) = ( 0.3593750 0.3593750 0.7187500), wk = 0.0022371 k( 134) = ( 0.3541667 0.3541667 0.7083333), wk = 0.0022371 k( 135) = ( 0.3489583 0.3489583 0.6979167), wk = 0.0022371 k( 136) = ( 0.3437500 0.3437500 0.6875000), wk = 0.0022371 k( 137) = ( 0.3385417 0.3385417 0.6770833), wk = 0.0022371 k( 138) = ( 0.3333333 0.3333333 0.6666667), wk = 0.0022371 k( 139) = ( 0.3281250 0.3281250 0.6562500), wk = 0.0022371 k( 140) = ( 0.3229167 0.3229167 0.6458333), wk = 0.0022371 k( 141) = ( 0.3177083 0.3177083 0.6354167), wk = 0.0022371 k( 142) = ( 0.3125000 0.3125000 0.6250000), wk = 0.0022371 k( 143) = ( 0.3072917 0.3072917 0.6145833), wk = 0.0022371 k( 144) = ( 0.3020833 0.3020833 0.6041667), wk = 0.0022371 k( 145) = ( 0.2968750 0.2968750 0.5937500), wk = 0.0022371 k( 146) = ( 0.2916667 0.2916667 0.5833333), wk = 0.0022371 k( 147) = ( 0.2864583 0.2864583 0.5729167), wk = 0.0022371 k( 148) = ( 0.2812500 0.2812500 0.5625000), wk = 0.0022371 k( 149) = ( 0.2760417 0.2760417 0.5520833), wk = 0.0022371 k( 150) = ( 0.2708333 0.2708333 0.5416667), wk = 0.0022371 k( 151) = ( 0.2656250 0.2656250 0.5312500), wk = 0.0022371 k( 152) = ( 0.2604167 0.2604167 0.5208333), wk = 0.0022371 k( 153) = ( 0.2552083 0.2552083 0.5104167), wk = 0.0022371 k( 154) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0022371 k( 155) = ( 0.2447917 0.2447917 0.4895833), wk = 0.0022371 k( 156) = ( 0.2395833 0.2395833 0.4791667), wk = 0.0022371 k( 157) = ( 0.2343750 0.2343750 0.4687500), wk = 0.0022371 k( 158) = ( 0.2291667 0.2291667 0.4583333), wk = 0.0022371 k( 159) = ( 0.2239583 0.2239583 0.4479167), wk = 0.0022371 k( 160) = ( 0.2187500 0.2187500 0.4375000), wk = 0.0022371 k( 161) = ( 0.2135417 0.2135417 0.4270833), wk = 0.0022371 k( 162) = ( 0.2083333 0.2083333 0.4166667), wk = 0.0022371 k( 163) = ( 0.2031250 0.2031250 0.4062500), wk = 0.0022371 k( 164) = ( 0.1979167 0.1979167 0.3958333), wk = 0.0022371 k( 165) = ( 0.1927083 0.1927083 0.3854167), wk = 0.0022371 k( 166) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0022371 k( 167) = ( 0.1822917 0.1822917 0.3645833), wk = 0.0022371 k( 168) = ( 0.1770833 0.1770833 0.3541667), wk = 0.0022371 k( 169) = ( 0.1718750 0.1718750 0.3437500), wk = 0.0022371 k( 170) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0022371 k( 171) = ( 0.1614583 0.1614583 0.3229167), wk = 0.0022371 k( 172) = ( 0.1562500 0.1562500 0.3125000), wk = 0.0022371 k( 173) = ( 0.1510417 0.1510417 0.3020833), wk = 0.0022371 k( 174) = ( 0.1458333 0.1458333 0.2916667), wk = 0.0022371 k( 175) = ( 0.1406250 0.1406250 0.2812500), wk = 0.0022371 k( 176) = ( 0.1354167 0.1354167 0.2708333), wk = 0.0022371 k( 177) = ( 0.1302083 0.1302083 0.2604167), wk = 0.0022371 k( 178) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0022371 k( 179) = ( 0.1197917 0.1197917 0.2395833), wk = 0.0022371 k( 180) = ( 0.1145833 0.1145833 0.2291667), wk = 0.0022371 k( 181) = ( 0.1093750 0.1093750 0.2187500), wk = 0.0022371 k( 182) = ( 0.1041667 0.1041667 0.2083333), wk = 0.0022371 k( 183) = ( 0.0989583 0.0989583 0.1979167), wk = 0.0022371 k( 184) = ( 0.0937500 0.0937500 0.1875000), wk = 0.0022371 k( 185) = ( 0.0885417 0.0885417 0.1770833), wk = 0.0022371 k( 186) = ( 0.0833333 0.0833333 0.1666667), wk = 0.0022371 k( 187) = ( 0.0781250 0.0781250 0.1562500), wk = 0.0022371 k( 188) = ( 0.0729167 0.0729167 0.1458333), wk = 0.0022371 k( 189) = ( 0.0677083 0.0677083 0.1354167), wk = 0.0022371 k( 190) = ( 0.0625000 0.0625000 0.1250000), wk = 0.0022371 k( 191) = ( 0.0572917 0.0572917 0.1145833), wk = 0.0022371 k( 192) = ( 0.0520833 0.0520833 0.1041667), wk = 0.0022371 k( 193) = ( 0.0468750 0.0468750 0.0937500), wk = 0.0022371 k( 194) = ( 0.0416667 0.0416667 0.0833333), wk = 0.0022371 k( 195) = ( 0.0364583 0.0364583 0.0729167), wk = 0.0022371 k( 196) = ( 0.0312500 0.0312500 0.0625000), wk = 0.0022371 k( 197) = ( 0.0260417 0.0260417 0.0520833), wk = 0.0022371 k( 198) = ( 0.0208333 0.0208333 0.0416667), wk = 0.0022371 k( 199) = ( 0.0156250 0.0156250 0.0312500), wk = 0.0022371 k( 200) = ( 0.0104167 0.0104167 0.0208333), wk = 0.0022371 k( 201) = ( 0.0052083 0.0052083 0.0104167), wk = 0.0022371 k( 202) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022371 k( 203) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022371 k( 204) = ( 0.0084746 0.0084746 0.0084746), wk = 0.0022371 k( 205) = ( 0.0169491 0.0169492 0.0169492), wk = 0.0022371 k( 206) = ( 0.0254237 0.0254237 0.0254237), wk = 0.0022371 k( 207) = ( 0.0338983 0.0338983 0.0338983), wk = 0.0022371 k( 208) = ( 0.0423729 0.0423729 0.0423729), wk = 0.0022371 k( 209) = ( 0.0508475 0.0508475 0.0508475), wk = 0.0022371 k( 210) = ( 0.0593220 0.0593220 0.0593220), wk = 0.0022371 k( 211) = ( 0.0677966 0.0677966 0.0677966), wk = 0.0022371 k( 212) = ( 0.0762712 0.0762712 0.0762712), wk = 0.0022371 k( 213) = ( 0.0847458 0.0847458 0.0847458), wk = 0.0022371 k( 214) = ( 0.0932203 0.0932203 0.0932203), wk = 0.0022371 k( 215) = ( 0.1016949 0.1016949 0.1016949), wk = 0.0022371 k( 216) = ( 0.1101695 0.1101695 0.1101695), wk = 0.0022371 k( 217) = ( 0.1186441 0.1186441 0.1186441), wk = 0.0022371 k( 218) = ( 0.1271186 0.1271186 0.1271186), wk = 0.0022371 k( 219) = ( 0.1355932 0.1355932 0.1355932), wk = 0.0022371 k( 220) = ( 0.1440678 0.1440678 0.1440678), wk = 0.0022371 k( 221) = ( 0.1525424 0.1525424 0.1525424), wk = 0.0022371 k( 222) = ( 0.1610169 0.1610169 0.1610170), wk = 0.0022371 k( 223) = ( 0.1694915 0.1694915 0.1694915), wk = 0.0022371 k( 224) = ( 0.1779661 0.1779661 0.1779661), wk = 0.0022371 k( 225) = ( 0.1864407 0.1864407 0.1864407), wk = 0.0022371 k( 226) = ( 0.1949153 0.1949153 0.1949153), wk = 0.0022371 k( 227) = ( 0.2033898 0.2033898 0.2033898), wk = 0.0022371 k( 228) = ( 0.2118644 0.2118644 0.2118644), wk = 0.0022371 k( 229) = ( 0.2203390 0.2203390 0.2203390), wk = 0.0022371 k( 230) = ( 0.2288136 0.2288136 0.2288136), wk = 0.0022371 k( 231) = ( 0.2372881 0.2372881 0.2372881), wk = 0.0022371 k( 232) = ( 0.2457627 0.2457627 0.2457627), wk = 0.0022371 k( 233) = ( 0.2542373 0.2542373 0.2542373), wk = 0.0022371 k( 234) = ( 0.2627119 0.2627119 0.2627119), wk = 0.0022371 k( 235) = ( 0.2711864 0.2711864 0.2711864), wk = 0.0022371 k( 236) = ( 0.2796610 0.2796610 0.2796610), wk = 0.0022371 k( 237) = ( 0.2881356 0.2881356 0.2881356), wk = 0.0022371 k( 238) = ( 0.2966102 0.2966102 0.2966102), wk = 0.0022371 k( 239) = ( 0.3050848 0.3050848 0.3050848), wk = 0.0022371 k( 240) = ( 0.3135593 0.3135593 0.3135593), wk = 0.0022371 k( 241) = ( 0.3220339 0.3220339 0.3220339), wk = 0.0022371 k( 242) = ( 0.3305085 0.3305085 0.3305085), wk = 0.0022371 k( 243) = ( 0.3389831 0.3389831 0.3389831), wk = 0.0022371 k( 244) = ( 0.3474576 0.3474576 0.3474576), wk = 0.0022371 k( 245) = ( 0.3559322 0.3559322 0.3559322), wk = 0.0022371 k( 246) = ( 0.3644068 0.3644068 0.3644068), wk = 0.0022371 k( 247) = ( 0.3728814 0.3728814 0.3728814), wk = 0.0022371 k( 248) = ( 0.3813559 0.3813559 0.3813559), wk = 0.0022371 k( 249) = ( 0.3898305 0.3898305 0.3898305), wk = 0.0022371 k( 250) = ( 0.3983051 0.3983051 0.3983051), wk = 0.0022371 k( 251) = ( 0.4067797 0.4067797 0.4067797), wk = 0.0022371 k( 252) = ( 0.4152542 0.4152542 0.4152542), wk = 0.0022371 k( 253) = ( 0.4237288 0.4237288 0.4237288), wk = 0.0022371 k( 254) = ( 0.4322034 0.4322034 0.4322034), wk = 0.0022371 k( 255) = ( 0.4406780 0.4406780 0.4406780), wk = 0.0022371 k( 256) = ( 0.4491525 0.4491525 0.4491525), wk = 0.0022371 k( 257) = ( 0.4576271 0.4576271 0.4576271), wk = 0.0022371 k( 258) = ( 0.4661017 0.4661017 0.4661017), wk = 0.0022371 k( 259) = ( 0.4745763 0.4745763 0.4745763), wk = 0.0022371 k( 260) = ( 0.4830508 0.4830509 0.4830509), wk = 0.0022371 k( 261) = ( 0.4915254 0.4915254 0.4915254), wk = 0.0022371 k( 262) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022371 k( 263) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022371 k( 264) = ( 0.5029762 0.4940476 0.5029762), wk = 0.0022371 k( 265) = ( 0.5059524 0.4880952 0.5059524), wk = 0.0022371 k( 266) = ( 0.5089286 0.4821429 0.5089286), wk = 0.0022371 k( 267) = ( 0.5119048 0.4761905 0.5119048), wk = 0.0022371 k( 268) = ( 0.5148810 0.4702381 0.5148810), wk = 0.0022371 k( 269) = ( 0.5178571 0.4642857 0.5178571), wk = 0.0022371 k( 270) = ( 0.5208333 0.4583333 0.5208333), wk = 0.0022371 k( 271) = ( 0.5238095 0.4523810 0.5238095), wk = 0.0022371 k( 272) = ( 0.5267857 0.4464286 0.5267857), wk = 0.0022371 k( 273) = ( 0.5297619 0.4404762 0.5297619), wk = 0.0022371 k( 274) = ( 0.5327381 0.4345238 0.5327381), wk = 0.0022371 k( 275) = ( 0.5357143 0.4285714 0.5357143), wk = 0.0022371 k( 276) = ( 0.5386905 0.4226191 0.5386905), wk = 0.0022371 k( 277) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0022371 k( 278) = ( 0.5446429 0.4107143 0.5446429), wk = 0.0022371 k( 279) = ( 0.5476190 0.4047619 0.5476191), wk = 0.0022371 k( 280) = ( 0.5505952 0.3988095 0.5505952), wk = 0.0022371 k( 281) = ( 0.5535714 0.3928571 0.5535714), wk = 0.0022371 k( 282) = ( 0.5565476 0.3869048 0.5565476), wk = 0.0022371 k( 283) = ( 0.5595238 0.3809524 0.5595238), wk = 0.0022371 k( 284) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0022371 k( 285) = ( 0.5654762 0.3690476 0.5654762), wk = 0.0022371 k( 286) = ( 0.5684524 0.3630952 0.5684524), wk = 0.0022371 k( 287) = ( 0.5714286 0.3571429 0.5714286), wk = 0.0022371 k( 288) = ( 0.5744048 0.3511905 0.5744048), wk = 0.0022371 k( 289) = ( 0.5773810 0.3452381 0.5773810), wk = 0.0022371 k( 290) = ( 0.5803571 0.3392857 0.5803571), wk = 0.0022371 k( 291) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0022371 k( 292) = ( 0.5863095 0.3273810 0.5863095), wk = 0.0022371 k( 293) = ( 0.5892857 0.3214286 0.5892857), wk = 0.0022371 k( 294) = ( 0.5922619 0.3154762 0.5922619), wk = 0.0022371 k( 295) = ( 0.5952381 0.3095238 0.5952381), wk = 0.0022371 k( 296) = ( 0.5982143 0.3035714 0.5982143), wk = 0.0022371 k( 297) = ( 0.6011905 0.2976190 0.6011905), wk = 0.0022371 k( 298) = ( 0.6041667 0.2916667 0.6041667), wk = 0.0022371 k( 299) = ( 0.6071429 0.2857143 0.6071429), wk = 0.0022371 k( 300) = ( 0.6101190 0.2797619 0.6101191), wk = 0.0022371 k( 301) = ( 0.6130952 0.2738095 0.6130952), wk = 0.0022371 k( 302) = ( 0.6160714 0.2678571 0.6160714), wk = 0.0022371 k( 303) = ( 0.6190476 0.2619048 0.6190476), wk = 0.0022371 k( 304) = ( 0.6220238 0.2559524 0.6220238), wk = 0.0022371 k( 305) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0022371 k( 306) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0022371 k( 307) = ( 0.6197917 0.2500000 0.6302083), wk = 0.0022371 k( 308) = ( 0.6145833 0.2500000 0.6354167), wk = 0.0022371 k( 309) = ( 0.6093750 0.2500000 0.6406250), wk = 0.0022371 k( 310) = ( 0.6041667 0.2500000 0.6458333), wk = 0.0022371 k( 311) = ( 0.5989583 0.2500000 0.6510417), wk = 0.0022371 k( 312) = ( 0.5937500 0.2500000 0.6562500), wk = 0.0022371 k( 313) = ( 0.5885417 0.2500000 0.6614583), wk = 0.0022371 k( 314) = ( 0.5833333 0.2500000 0.6666667), wk = 0.0022371 k( 315) = ( 0.5781250 0.2500000 0.6718750), wk = 0.0022371 k( 316) = ( 0.5729167 0.2500000 0.6770833), wk = 0.0022371 k( 317) = ( 0.5677083 0.2500000 0.6822917), wk = 0.0022371 k( 318) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0022371 k( 319) = ( 0.5572917 0.2500000 0.6927083), wk = 0.0022371 k( 320) = ( 0.5520833 0.2500000 0.6979167), wk = 0.0022371 k( 321) = ( 0.5468750 0.2500000 0.7031250), wk = 0.0022371 k( 322) = ( 0.5416667 0.2500000 0.7083333), wk = 0.0022371 k( 323) = ( 0.5364583 0.2500000 0.7135417), wk = 0.0022371 k( 324) = ( 0.5312500 0.2500000 0.7187500), wk = 0.0022371 k( 325) = ( 0.5260417 0.2500000 0.7239583), wk = 0.0022371 k( 326) = ( 0.5208333 0.2500000 0.7291667), wk = 0.0022371 k( 327) = ( 0.5156250 0.2500000 0.7343750), wk = 0.0022371 k( 328) = ( 0.5104167 0.2500000 0.7395833), wk = 0.0022371 k( 329) = ( 0.5052083 0.2500000 0.7447917), wk = 0.0022371 k( 330) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0022371 k( 331) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0022371 k( 332) = ( 0.5000000 0.2552083 0.7447917), wk = 0.0022371 k( 333) = ( 0.5000000 0.2604167 0.7395833), wk = 0.0022371 k( 334) = ( 0.5000000 0.2656250 0.7343750), wk = 0.0022371 k( 335) = ( 0.5000000 0.2708333 0.7291667), wk = 0.0022371 k( 336) = ( 0.5000000 0.2760417 0.7239583), wk = 0.0022371 k( 337) = ( 0.5000000 0.2812500 0.7187500), wk = 0.0022371 k( 338) = ( 0.5000000 0.2864583 0.7135417), wk = 0.0022371 k( 339) = ( 0.5000000 0.2916667 0.7083333), wk = 0.0022371 k( 340) = ( 0.5000000 0.2968750 0.7031250), wk = 0.0022371 k( 341) = ( 0.5000000 0.3020833 0.6979167), wk = 0.0022371 k( 342) = ( 0.5000000 0.3072917 0.6927083), wk = 0.0022371 k( 343) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0022371 k( 344) = ( 0.5000000 0.3177083 0.6822917), wk = 0.0022371 k( 345) = ( 0.5000000 0.3229167 0.6770833), wk = 0.0022371 k( 346) = ( 0.5000000 0.3281250 0.6718750), wk = 0.0022371 k( 347) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0022371 k( 348) = ( 0.5000000 0.3385417 0.6614583), wk = 0.0022371 k( 349) = ( 0.5000000 0.3437500 0.6562500), wk = 0.0022371 k( 350) = ( 0.5000000 0.3489583 0.6510417), wk = 0.0022371 k( 351) = ( 0.5000000 0.3541667 0.6458333), wk = 0.0022371 k( 352) = ( 0.5000000 0.3593750 0.6406250), wk = 0.0022371 k( 353) = ( 0.5000000 0.3645833 0.6354167), wk = 0.0022371 k( 354) = ( 0.5000000 0.3697917 0.6302083), wk = 0.0022371 k( 355) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0022371 k( 356) = ( 0.5000000 0.3802083 0.6197917), wk = 0.0022371 k( 357) = ( 0.5000000 0.3854167 0.6145833), wk = 0.0022371 k( 358) = ( 0.5000000 0.3906250 0.6093750), wk = 0.0022371 k( 359) = ( 0.5000000 0.3958333 0.6041667), wk = 0.0022371 k( 360) = ( 0.5000000 0.4010417 0.5989583), wk = 0.0022371 k( 361) = ( 0.5000000 0.4062500 0.5937500), wk = 0.0022371 k( 362) = ( 0.5000000 0.4114583 0.5885417), wk = 0.0022371 k( 363) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0022371 k( 364) = ( 0.5000000 0.4218750 0.5781250), wk = 0.0022371 k( 365) = ( 0.5000000 0.4270833 0.5729167), wk = 0.0022371 k( 366) = ( 0.5000000 0.4322917 0.5677083), wk = 0.0022371 k( 367) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0022371 k( 368) = ( 0.5000000 0.4427083 0.5572917), wk = 0.0022371 k( 369) = ( 0.5000000 0.4479167 0.5520833), wk = 0.0022371 k( 370) = ( 0.5000000 0.4531250 0.5468750), wk = 0.0022371 k( 371) = ( 0.5000000 0.4583333 0.5416667), wk = 0.0022371 k( 372) = ( 0.5000000 0.4635417 0.5364583), wk = 0.0022371 k( 373) = ( 0.5000000 0.4687500 0.5312500), wk = 0.0022371 k( 374) = ( 0.5000000 0.4739583 0.5260417), wk = 0.0022371 k( 375) = ( 0.5000000 0.4791667 0.5208333), wk = 0.0022371 k( 376) = ( 0.5000000 0.4843750 0.5156250), wk = 0.0022371 k( 377) = ( 0.5000000 0.4895833 0.5104167), wk = 0.0022371 k( 378) = ( 0.5000000 0.4947917 0.5052083), wk = 0.0022371 k( 379) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022371 k( 380) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022371 k( 381) = ( 0.4970238 0.4970238 0.5059524), wk = 0.0022371 k( 382) = ( 0.4940476 0.4940476 0.5119048), wk = 0.0022371 k( 383) = ( 0.4910714 0.4910714 0.5178571), wk = 0.0022371 k( 384) = ( 0.4880952 0.4880952 0.5238095), wk = 0.0022371 k( 385) = ( 0.4851190 0.4851190 0.5297619), wk = 0.0022371 k( 386) = ( 0.4821429 0.4821429 0.5357143), wk = 0.0022371 k( 387) = ( 0.4791667 0.4791667 0.5416667), wk = 0.0022371 k( 388) = ( 0.4761905 0.4761905 0.5476191), wk = 0.0022371 k( 389) = ( 0.4732143 0.4732143 0.5535714), wk = 0.0022371 k( 390) = ( 0.4702381 0.4702381 0.5595238), wk = 0.0022371 k( 391) = ( 0.4672619 0.4672619 0.5654762), wk = 0.0022371 k( 392) = ( 0.4642857 0.4642857 0.5714286), wk = 0.0022371 k( 393) = ( 0.4613095 0.4613095 0.5773810), wk = 0.0022371 k( 394) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0022371 k( 395) = ( 0.4553571 0.4553571 0.5892857), wk = 0.0022371 k( 396) = ( 0.4523810 0.4523810 0.5952381), wk = 0.0022371 k( 397) = ( 0.4494048 0.4494048 0.6011905), wk = 0.0022371 k( 398) = ( 0.4464286 0.4464286 0.6071429), wk = 0.0022371 k( 399) = ( 0.4434524 0.4434524 0.6130952), wk = 0.0022371 k( 400) = ( 0.4404762 0.4404762 0.6190476), wk = 0.0022371 k( 401) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0022371 k( 402) = ( 0.4345238 0.4345238 0.6309524), wk = 0.0022371 k( 403) = ( 0.4315476 0.4315476 0.6369048), wk = 0.0022371 k( 404) = ( 0.4285714 0.4285714 0.6428571), wk = 0.0022371 k( 405) = ( 0.4255952 0.4255952 0.6488095), wk = 0.0022371 k( 406) = ( 0.4226190 0.4226191 0.6547619), wk = 0.0022371 k( 407) = ( 0.4196429 0.4196429 0.6607143), wk = 0.0022371 k( 408) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0022371 k( 409) = ( 0.4136905 0.4136905 0.6726191), wk = 0.0022371 k( 410) = ( 0.4107143 0.4107143 0.6785714), wk = 0.0022371 k( 411) = ( 0.4077381 0.4077381 0.6845238), wk = 0.0022371 k( 412) = ( 0.4047619 0.4047619 0.6904762), wk = 0.0022371 k( 413) = ( 0.4017857 0.4017857 0.6964286), wk = 0.0022371 k( 414) = ( 0.3988095 0.3988095 0.7023810), wk = 0.0022371 k( 415) = ( 0.3958333 0.3958333 0.7083333), wk = 0.0022371 k( 416) = ( 0.3928571 0.3928571 0.7142857), wk = 0.0022371 k( 417) = ( 0.3898810 0.3898810 0.7202381), wk = 0.0022371 k( 418) = ( 0.3869048 0.3869048 0.7261905), wk = 0.0022371 k( 419) = ( 0.3839286 0.3839286 0.7321429), wk = 0.0022371 k( 420) = ( 0.3809524 0.3809524 0.7380952), wk = 0.0022371 k( 421) = ( 0.3779762 0.3779762 0.7440476), wk = 0.0022371 k( 422) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0022371 k( 423) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0022371 k( 424) = ( 0.6197917 0.2395833 0.6197917), wk = 0.0022371 k( 425) = ( 0.6145833 0.2291667 0.6145833), wk = 0.0022371 k( 426) = ( 0.6093750 0.2187500 0.6093750), wk = 0.0022371 k( 427) = ( 0.6041667 0.2083333 0.6041667), wk = 0.0022371 k( 428) = ( 0.5989583 0.1979167 0.5989583), wk = 0.0022371 k( 429) = ( 0.5937500 0.1875000 0.5937500), wk = 0.0022371 k( 430) = ( 0.5885417 0.1770833 0.5885417), wk = 0.0022371 k( 431) = ( 0.5833333 0.1666667 0.5833333), wk = 0.0022371 k( 432) = ( 0.5781250 0.1562500 0.5781250), wk = 0.0022371 k( 433) = ( 0.5729167 0.1458333 0.5729167), wk = 0.0022371 k( 434) = ( 0.5677083 0.1354167 0.5677083), wk = 0.0022371 k( 435) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0022371 k( 436) = ( 0.5572917 0.1145833 0.5572917), wk = 0.0022371 k( 437) = ( 0.5520833 0.1041667 0.5520833), wk = 0.0022371 k( 438) = ( 0.5468750 0.0937500 0.5468750), wk = 0.0022371 k( 439) = ( 0.5416667 0.0833333 0.5416667), wk = 0.0022371 k( 440) = ( 0.5364583 0.0729167 0.5364583), wk = 0.0022371 k( 441) = ( 0.5312500 0.0625000 0.5312500), wk = 0.0022371 k( 442) = ( 0.5260417 0.0520833 0.5260417), wk = 0.0022371 k( 443) = ( 0.5208333 0.0416667 0.5208333), wk = 0.0022371 k( 444) = ( 0.5156250 0.0312500 0.5156250), wk = 0.0022371 k( 445) = ( 0.5104167 0.0208333 0.5104167), wk = 0.0022371 k( 446) = ( 0.5052083 0.0104167 0.5052083), wk = 0.0022371 k( 447) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022371 Dense grid: 16529 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 12387 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 88, 24) NL pseudopotentials 0.02 Mb ( 44, 28) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 462) G-vector shells 0.00 Mb ( 162) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.13 Mb ( 88, 96) Each subspace H/S matrix 0.01 Mb ( 24, 24) Each matrix 0.02 Mb ( 28, 2, 24) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./NaF.save/charge-density.dat Starting wfc are 18 randomized atomic wfcs + 6 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.2 secs Computing kpt #: 2 total cpu time spent up to now is 1.3 secs Computing kpt #: 3 total cpu time spent up to now is 1.4 secs Computing kpt #: 4 total cpu time spent up to now is 1.4 secs Computing kpt #: 5 total cpu time spent up to now is 1.5 secs Computing kpt #: 6 total cpu time spent up to now is 1.6 secs Computing kpt #: 7 total cpu time spent up to now is 1.7 secs Computing kpt #: 8 total cpu time spent up to now is 1.7 secs Computing kpt #: 9 total cpu time spent up to now is 1.8 secs Computing kpt #: 10 total cpu time spent up to now is 1.9 secs Computing kpt #: 11 total cpu time spent up to now is 2.0 secs Computing kpt #: 12 total cpu time spent up to now is 2.1 secs Computing kpt #: 13 total cpu time spent up to now is 2.1 secs Computing kpt #: 14 total cpu time spent up to now is 2.2 secs Computing kpt #: 15 total cpu time spent up to now is 2.3 secs Computing kpt #: 16 total cpu time spent up to now is 2.4 secs Computing kpt #: 17 total cpu time spent up to now is 2.4 secs Computing kpt #: 18 total cpu time spent up to now is 2.5 secs Computing kpt #: 19 total cpu time spent up to now is 2.6 secs Computing kpt #: 20 total cpu time spent up to now is 2.7 secs Computing kpt #: 21 total cpu time spent up to now is 2.8 secs Computing kpt #: 22 total cpu time spent up to now is 2.8 secs Computing kpt #: 23 total cpu time spent up to now is 2.9 secs Computing kpt #: 24 total cpu time spent up to now is 3.0 secs Computing kpt #: 25 total cpu time spent up to now is 3.1 secs Computing kpt #: 26 total cpu time spent up to now is 3.1 secs Computing kpt #: 27 total cpu time spent up to now is 3.2 secs Computing kpt #: 28 total cpu time spent up to now is 3.3 secs Computing kpt #: 29 total cpu time spent up to now is 3.4 secs Computing kpt #: 30 total cpu time spent up to now is 3.5 secs Computing kpt #: 31 total cpu time spent up to now is 3.5 secs Computing kpt #: 32 total cpu time spent up to now is 3.6 secs Computing kpt #: 33 total cpu time spent up to now is 3.7 secs Computing kpt #: 34 total cpu time spent up to now is 3.8 secs Computing kpt #: 35 total cpu time spent up to now is 3.9 secs Computing kpt #: 36 total cpu time spent up to now is 3.9 secs Computing kpt #: 37 total cpu time spent up to now is 4.0 secs Computing kpt #: 38 total cpu time spent up to now is 4.1 secs Computing kpt #: 39 total cpu time spent up to now is 4.2 secs Computing kpt #: 40 total cpu time spent up to now is 4.3 secs Computing kpt #: 41 total cpu time spent up to now is 4.3 secs Computing kpt #: 42 total cpu time spent up to now is 4.4 secs Computing kpt #: 43 total cpu time spent up to now is 4.5 secs Computing kpt #: 44 total cpu time spent up to now is 4.6 secs Computing kpt #: 45 total cpu time spent up to now is 4.7 secs Computing kpt #: 46 total cpu time spent up to now is 4.7 secs Computing kpt #: 47 total cpu time spent up to now is 4.8 secs Computing kpt #: 48 total cpu time spent up to now is 4.9 secs Computing kpt #: 49 total cpu time spent up to now is 5.0 secs Computing kpt #: 50 total cpu time spent up to now is 5.1 secs Computing kpt #: 51 total cpu time spent up to now is 5.1 secs Computing kpt #: 52 total cpu time spent up to now is 5.2 secs Computing kpt #: 53 total cpu time spent up to now is 5.3 secs Computing kpt #: 54 total cpu time spent up to now is 5.4 secs Computing kpt #: 55 total cpu time spent up to now is 5.5 secs Computing kpt #: 56 total cpu time spent up to now is 5.6 secs Computing kpt #: 57 total cpu time spent up to now is 5.6 secs Computing kpt #: 58 total cpu time spent up to now is 5.7 secs Computing kpt #: 59 total cpu time spent up to now is 5.8 secs Computing kpt #: 60 total cpu time spent up to now is 5.9 secs Computing kpt #: 61 total cpu time spent up to now is 5.9 secs Computing kpt #: 62 total cpu time spent up to now is 6.0 secs Computing kpt #: 63 total cpu time spent up to now is 6.1 secs Computing kpt #: 64 total cpu time spent up to now is 6.2 secs Computing kpt #: 65 total cpu time spent up to now is 6.3 secs Computing kpt #: 66 total cpu time spent up to now is 6.4 secs Computing kpt #: 67 total cpu time spent up to now is 6.4 secs Computing kpt #: 68 total cpu time spent up to now is 6.5 secs Computing kpt #: 69 total cpu time spent up to now is 6.6 secs Computing kpt #: 70 total cpu time spent up to now is 6.7 secs Computing kpt #: 71 total cpu time spent up to now is 6.7 secs Computing kpt #: 72 total cpu time spent up to now is 6.8 secs Computing kpt #: 73 total cpu time spent up to now is 6.9 secs Computing kpt #: 74 total cpu time spent up to now is 7.0 secs Computing kpt #: 75 total cpu time spent up to now is 7.1 secs Computing kpt #: 76 total cpu time spent up to now is 7.1 secs Computing kpt #: 77 total cpu time spent up to now is 7.2 secs Computing kpt #: 78 total cpu time spent up to now is 7.3 secs Computing kpt #: 79 total cpu time spent up to now is 7.4 secs Computing kpt #: 80 total cpu time spent up to now is 7.4 secs Computing kpt #: 81 total cpu time spent up to now is 7.5 secs Computing kpt #: 82 total cpu time spent up to now is 7.6 secs Computing kpt #: 83 total cpu time spent up to now is 7.6 secs Computing kpt #: 84 total cpu time spent up to now is 7.7 secs Computing kpt #: 85 total cpu time spent up to now is 7.8 secs Computing kpt #: 86 total cpu time spent up to now is 7.9 secs Computing kpt #: 87 total cpu time spent up to now is 7.9 secs Computing kpt #: 88 total cpu time spent up to now is 8.0 secs Computing kpt #: 89 total cpu time spent up to now is 8.1 secs Computing kpt #: 90 total cpu time spent up to now is 8.1 secs Computing kpt #: 91 total cpu time spent up to now is 8.2 secs Computing kpt #: 92 total cpu time spent up to now is 8.3 secs Computing kpt #: 93 total cpu time spent up to now is 8.4 secs Computing kpt #: 94 total cpu time spent up to now is 8.4 secs Computing kpt #: 95 total cpu time spent up to now is 8.5 secs Computing kpt #: 96 total cpu time spent up to now is 8.5 secs Computing kpt #: 97 total cpu time spent up to now is 8.6 secs Computing kpt #: 98 total cpu time spent up to now is 8.7 secs Computing kpt #: 99 total cpu time spent up to now is 8.7 secs Computing kpt #: 100 total cpu time spent up to now is 8.8 secs Computing kpt #: 101 total cpu time spent up to now is 8.9 secs Computing kpt #: 102 total cpu time spent up to now is 8.9 secs Computing kpt #: 103 total cpu time spent up to now is 9.0 secs Computing kpt #: 104 total cpu time spent up to now is 9.0 secs Computing kpt #: 105 total cpu time spent up to now is 9.1 secs Computing kpt #: 106 total cpu time spent up to now is 9.2 secs Computing kpt #: 107 total cpu time spent up to now is 9.2 secs Computing kpt #: 108 total cpu time spent up to now is 9.3 secs Computing kpt #: 109 total cpu time spent up to now is 9.3 secs Computing kpt #: 110 total cpu time spent up to now is 9.4 secs Computing kpt #: 111 total cpu time spent up to now is 9.5 secs Computing kpt #: 112 total cpu time spent up to now is 9.5 secs Computing kpt #: 113 total cpu time spent up to now is 9.6 secs Computing kpt #: 114 total cpu time spent up to now is 9.7 secs Computing kpt #: 115 total cpu time spent up to now is 9.7 secs Computing kpt #: 116 total cpu time spent up to now is 9.8 secs Computing kpt #: 117 total cpu time spent up to now is 9.9 secs Computing kpt #: 118 total cpu time spent up to now is 9.9 secs Computing kpt #: 119 total cpu time spent up to now is 10.0 secs Computing kpt #: 120 total cpu time spent up to now is 10.0 secs Computing kpt #: 121 total cpu time spent up to now is 10.1 secs Computing kpt #: 122 total cpu time spent up to now is 10.2 secs Computing kpt #: 123 total cpu time spent up to now is 10.3 secs Computing kpt #: 124 total cpu time spent up to now is 10.3 secs Computing kpt #: 125 total cpu time spent up to now is 10.4 secs Computing kpt #: 126 total cpu time spent up to now is 10.5 secs Computing kpt #: 127 total cpu time spent up to now is 10.5 secs Computing kpt #: 128 total cpu time spent up to now is 10.6 secs Computing kpt #: 129 total cpu time spent up to now is 10.7 secs Computing kpt #: 130 total cpu time spent up to now is 10.8 secs Computing kpt #: 131 total cpu time spent up to now is 10.9 secs Computing kpt #: 132 total cpu time spent up to now is 11.0 secs Computing kpt #: 133 total cpu time spent up to now is 11.0 secs Computing kpt #: 134 total cpu time spent up to now is 11.1 secs Computing kpt #: 135 total cpu time spent up to now is 11.2 secs Computing kpt #: 136 total cpu time spent up to now is 11.3 secs Computing kpt #: 137 total cpu time spent up to now is 11.4 secs Computing kpt #: 138 total cpu time spent up to now is 11.4 secs Computing kpt #: 139 total cpu time spent up to now is 11.5 secs Computing kpt #: 140 total cpu time spent up to now is 11.6 secs Computing kpt #: 141 total cpu time spent up to now is 11.7 secs Computing kpt #: 142 total cpu time spent up to now is 11.8 secs Computing kpt #: 143 total cpu time spent up to now is 11.9 secs Computing kpt #: 144 total cpu time spent up to now is 11.9 secs Computing kpt #: 145 total cpu time spent up to now is 12.0 secs Computing kpt #: 146 total cpu time spent up to now is 12.1 secs Computing kpt #: 147 total cpu time spent up to now is 12.2 secs Computing kpt #: 148 total cpu time spent up to now is 12.2 secs Computing kpt #: 149 total cpu time spent up to now is 12.3 secs Computing kpt #: 150 total cpu time spent up to now is 12.4 secs Computing kpt #: 151 total cpu time spent up to now is 12.5 secs Computing kpt #: 152 total cpu time spent up to now is 12.5 secs Computing kpt #: 153 total cpu time spent up to now is 12.6 secs Computing kpt #: 154 total cpu time spent up to now is 12.7 secs Computing kpt #: 155 total cpu time spent up to now is 12.8 secs Computing kpt #: 156 total cpu time spent up to now is 12.8 secs Computing kpt #: 157 total cpu time spent up to now is 12.9 secs Computing kpt #: 158 total cpu time spent up to now is 13.0 secs Computing kpt #: 159 total cpu time spent up to now is 13.1 secs Computing kpt #: 160 total cpu time spent up to now is 13.1 secs Computing kpt #: 161 total cpu time spent up to now is 13.2 secs Computing kpt #: 162 total cpu time spent up to now is 13.3 secs Computing kpt #: 163 total cpu time spent up to now is 13.4 secs Computing kpt #: 164 total cpu time spent up to now is 13.5 secs Computing kpt #: 165 total cpu time spent up to now is 13.5 secs Computing kpt #: 166 total cpu time spent up to now is 13.6 secs Computing kpt #: 167 total cpu time spent up to now is 13.7 secs Computing kpt #: 168 total cpu time spent up to now is 13.8 secs Computing kpt #: 169 total cpu time spent up to now is 13.9 secs Computing kpt #: 170 total cpu time spent up to now is 14.0 secs Computing kpt #: 171 total cpu time spent up to now is 14.1 secs Computing kpt #: 172 total cpu time spent up to now is 14.1 secs Computing kpt #: 173 total cpu time spent up to now is 14.2 secs Computing kpt #: 174 total cpu time spent up to now is 14.3 secs Computing kpt #: 175 total cpu time spent up to now is 14.4 secs Computing kpt #: 176 total cpu time spent up to now is 14.5 secs Computing kpt #: 177 total cpu time spent up to now is 14.6 secs Computing kpt #: 178 total cpu time spent up to now is 14.6 secs Computing kpt #: 179 total cpu time spent up to now is 14.7 secs Computing kpt #: 180 total cpu time spent up to now is 14.8 secs Computing kpt #: 181 total cpu time spent up to now is 14.9 secs Computing kpt #: 182 total cpu time spent up to now is 15.0 secs Computing kpt #: 183 total cpu time spent up to now is 15.0 secs Computing kpt #: 184 total cpu time spent up to now is 15.1 secs Computing kpt #: 185 total cpu time spent up to now is 15.2 secs Computing kpt #: 186 total cpu time spent up to now is 15.3 secs Computing kpt #: 187 total cpu time spent up to now is 15.4 secs Computing kpt #: 188 total cpu time spent up to now is 15.5 secs Computing kpt #: 189 total cpu time spent up to now is 15.5 secs Computing kpt #: 190 total cpu time spent up to now is 15.6 secs Computing kpt #: 191 total cpu time spent up to now is 15.7 secs Computing kpt #: 192 total cpu time spent up to now is 15.8 secs Computing kpt #: 193 total cpu time spent up to now is 15.9 secs Computing kpt #: 194 total cpu time spent up to now is 15.9 secs Computing kpt #: 195 total cpu time spent up to now is 16.0 secs Computing kpt #: 196 total cpu time spent up to now is 16.1 secs Computing kpt #: 197 total cpu time spent up to now is 16.2 secs Computing kpt #: 198 total cpu time spent up to now is 16.2 secs Computing kpt #: 199 total cpu time spent up to now is 16.3 secs Computing kpt #: 200 total cpu time spent up to now is 16.4 secs Computing kpt #: 201 total cpu time spent up to now is 16.5 secs Computing kpt #: 202 total cpu time spent up to now is 16.6 secs Computing kpt #: 203 total cpu time spent up to now is 16.6 secs Computing kpt #: 204 total cpu time spent up to now is 16.7 secs Computing kpt #: 205 total cpu time spent up to now is 16.8 secs Computing kpt #: 206 total cpu time spent up to now is 16.9 secs Computing kpt #: 207 total cpu time spent up to now is 16.9 secs Computing kpt #: 208 total cpu time spent up to now is 17.0 secs Computing kpt #: 209 total cpu time spent up to now is 17.1 secs Computing kpt #: 210 total cpu time spent up to now is 17.2 secs Computing kpt #: 211 total cpu time spent up to now is 17.3 secs Computing kpt #: 212 total cpu time spent up to now is 17.3 secs Computing kpt #: 213 total cpu time spent up to now is 17.4 secs Computing kpt #: 214 total cpu time spent up to now is 17.5 secs Computing kpt #: 215 total cpu time spent up to now is 17.5 secs Computing kpt #: 216 total cpu time spent up to now is 17.6 secs Computing kpt #: 217 total cpu time spent up to now is 17.7 secs Computing kpt #: 218 total cpu time spent up to now is 17.8 secs Computing kpt #: 219 total cpu time spent up to now is 17.8 secs Computing kpt #: 220 total cpu time spent up to now is 17.9 secs Computing kpt #: 221 total cpu time spent up to now is 18.0 secs Computing kpt #: 222 total cpu time spent up to now is 18.1 secs Computing kpt #: 223 total cpu time spent up to now is 18.1 secs Computing kpt #: 224 total cpu time spent up to now is 18.2 secs Computing kpt #: 225 total cpu time spent up to now is 18.3 secs Computing kpt #: 226 total cpu time spent up to now is 18.4 secs Computing kpt #: 227 total cpu time spent up to now is 18.4 secs Computing kpt #: 228 total cpu time spent up to now is 18.5 secs Computing kpt #: 229 total cpu time spent up to now is 18.6 secs Computing kpt #: 230 total cpu time spent up to now is 18.7 secs Computing kpt #: 231 total cpu time spent up to now is 18.7 secs Computing kpt #: 232 total cpu time spent up to now is 18.8 secs Computing kpt #: 233 total cpu time spent up to now is 18.9 secs Computing kpt #: 234 total cpu time spent up to now is 19.0 secs Computing kpt #: 235 total cpu time spent up to now is 19.0 secs Computing kpt #: 236 total cpu time spent up to now is 19.1 secs Computing kpt #: 237 total cpu time spent up to now is 19.2 secs Computing kpt #: 238 total cpu time spent up to now is 19.3 secs Computing kpt #: 239 total cpu time spent up to now is 19.3 secs Computing kpt #: 240 total cpu time spent up to now is 19.4 secs Computing kpt #: 241 total cpu time spent up to now is 19.5 secs Computing kpt #: 242 total cpu time spent up to now is 19.6 secs Computing kpt #: 243 total cpu time spent up to now is 19.6 secs Computing kpt #: 244 total cpu time spent up to now is 19.7 secs Computing kpt #: 245 total cpu time spent up to now is 19.8 secs Computing kpt #: 246 total cpu time spent up to now is 19.9 secs Computing kpt #: 247 total cpu time spent up to now is 20.0 secs Computing kpt #: 248 total cpu time spent up to now is 20.0 secs Computing kpt #: 249 total cpu time spent up to now is 20.1 secs Computing kpt #: 250 total cpu time spent up to now is 20.2 secs Computing kpt #: 251 total cpu time spent up to now is 20.3 secs Computing kpt #: 252 total cpu time spent up to now is 20.4 secs Computing kpt #: 253 total cpu time spent up to now is 20.4 secs Computing kpt #: 254 total cpu time spent up to now is 20.5 secs Computing kpt #: 255 total cpu time spent up to now is 20.6 secs Computing kpt #: 256 total cpu time spent up to now is 20.7 secs Computing kpt #: 257 total cpu time spent up to now is 20.8 secs Computing kpt #: 258 total cpu time spent up to now is 20.9 secs Computing kpt #: 259 total cpu time spent up to now is 20.9 secs Computing kpt #: 260 total cpu time spent up to now is 21.0 secs Computing kpt #: 261 total cpu time spent up to now is 21.1 secs Computing kpt #: 262 total cpu time spent up to now is 21.2 secs Computing kpt #: 263 total cpu time spent up to now is 21.3 secs Computing kpt #: 264 total cpu time spent up to now is 21.3 secs Computing kpt #: 265 total cpu time spent up to now is 21.4 secs Computing kpt #: 266 total cpu time spent up to now is 21.5 secs Computing kpt #: 267 total cpu time spent up to now is 21.6 secs Computing kpt #: 268 total cpu time spent up to now is 21.7 secs Computing kpt #: 269 total cpu time spent up to now is 21.8 secs Computing kpt #: 270 total cpu time spent up to now is 21.8 secs Computing kpt #: 271 total cpu time spent up to now is 21.9 secs Computing kpt #: 272 total cpu time spent up to now is 22.0 secs Computing kpt #: 273 total cpu time spent up to now is 22.1 secs Computing kpt #: 274 total cpu time spent up to now is 22.1 secs Computing kpt #: 275 total cpu time spent up to now is 22.2 secs Computing kpt #: 276 total cpu time spent up to now is 22.3 secs Computing kpt #: 277 total cpu time spent up to now is 22.4 secs Computing kpt #: 278 total cpu time spent up to now is 22.4 secs Computing kpt #: 279 total cpu time spent up to now is 22.5 secs Computing kpt #: 280 total cpu time spent up to now is 22.6 secs Computing kpt #: 281 total cpu time spent up to now is 22.7 secs Computing kpt #: 282 total cpu time spent up to now is 22.8 secs Computing kpt #: 283 total cpu time spent up to now is 22.8 secs Computing kpt #: 284 total cpu time spent up to now is 22.9 secs Computing kpt #: 285 total cpu time spent up to now is 23.0 secs Computing kpt #: 286 total cpu time spent up to now is 23.1 secs Computing kpt #: 287 total cpu time spent up to now is 23.2 secs Computing kpt #: 288 total cpu time spent up to now is 23.2 secs Computing kpt #: 289 total cpu time spent up to now is 23.3 secs Computing kpt #: 290 total cpu time spent up to now is 23.4 secs Computing kpt #: 291 total cpu time spent up to now is 23.5 secs Computing kpt #: 292 total cpu time spent up to now is 23.6 secs Computing kpt #: 293 total cpu time spent up to now is 23.6 secs Computing kpt #: 294 total cpu time spent up to now is 23.7 secs Computing kpt #: 295 total cpu time spent up to now is 23.8 secs Computing kpt #: 296 total cpu time spent up to now is 23.9 secs Computing kpt #: 297 total cpu time spent up to now is 24.0 secs Computing kpt #: 298 total cpu time spent up to now is 24.1 secs Computing kpt #: 299 total cpu time spent up to now is 24.2 secs Computing kpt #: 300 total cpu time spent up to now is 24.2 secs Computing kpt #: 301 total cpu time spent up to now is 24.3 secs Computing kpt #: 302 total cpu time spent up to now is 24.4 secs Computing kpt #: 303 total cpu time spent up to now is 24.5 secs Computing kpt #: 304 total cpu time spent up to now is 24.6 secs Computing kpt #: 305 total cpu time spent up to now is 24.6 secs Computing kpt #: 306 total cpu time spent up to now is 24.7 secs Computing kpt #: 307 total cpu time spent up to now is 24.8 secs Computing kpt #: 308 total cpu time spent up to now is 24.9 secs Computing kpt #: 309 total cpu time spent up to now is 25.0 secs Computing kpt #: 310 total cpu time spent up to now is 25.0 secs Computing kpt #: 311 total cpu time spent up to now is 25.1 secs Computing kpt #: 312 total cpu time spent up to now is 25.2 secs Computing kpt #: 313 total cpu time spent up to now is 25.2 secs Computing kpt #: 314 total cpu time spent up to now is 25.3 secs Computing kpt #: 315 total cpu time spent up to now is 25.4 secs Computing kpt #: 316 total cpu time spent up to now is 25.4 secs Computing kpt #: 317 total cpu time spent up to now is 25.5 secs Computing kpt #: 318 total cpu time spent up to now is 25.6 secs Computing kpt #: 319 total cpu time spent up to now is 25.6 secs Computing kpt #: 320 total cpu time spent up to now is 25.7 secs Computing kpt #: 321 total cpu time spent up to now is 25.8 secs Computing kpt #: 322 total cpu time spent up to now is 25.8 secs Computing kpt #: 323 total cpu time spent up to now is 25.9 secs Computing kpt #: 324 total cpu time spent up to now is 25.9 secs Computing kpt #: 325 total cpu time spent up to now is 26.0 secs Computing kpt #: 326 total cpu time spent up to now is 26.1 secs Computing kpt #: 327 total cpu time spent up to now is 26.1 secs Computing kpt #: 328 total cpu time spent up to now is 26.2 secs Computing kpt #: 329 total cpu time spent up to now is 26.3 secs Computing kpt #: 330 total cpu time spent up to now is 26.3 secs Computing kpt #: 331 total cpu time spent up to now is 26.4 secs Computing kpt #: 332 total cpu time spent up to now is 26.4 secs Computing kpt #: 333 total cpu time spent up to now is 26.5 secs Computing kpt #: 334 total cpu time spent up to now is 26.6 secs Computing kpt #: 335 total cpu time spent up to now is 26.6 secs Computing kpt #: 336 total cpu time spent up to now is 26.7 secs Computing kpt #: 337 total cpu time spent up to now is 26.7 secs Computing kpt #: 338 total cpu time spent up to now is 26.8 secs Computing kpt #: 339 total cpu time spent up to now is 26.9 secs Computing kpt #: 340 total cpu time spent up to now is 26.9 secs Computing kpt #: 341 total cpu time spent up to now is 27.0 secs Computing kpt #: 342 total cpu time spent up to now is 27.1 secs Computing kpt #: 343 total cpu time spent up to now is 27.1 secs Computing kpt #: 344 total cpu time spent up to now is 27.2 secs Computing kpt #: 345 total cpu time spent up to now is 27.3 secs Computing kpt #: 346 total cpu time spent up to now is 27.3 secs Computing kpt #: 347 total cpu time spent up to now is 27.4 secs Computing kpt #: 348 total cpu time spent up to now is 27.4 secs Computing kpt #: 349 total cpu time spent up to now is 27.5 secs Computing kpt #: 350 total cpu time spent up to now is 27.6 secs Computing kpt #: 351 total cpu time spent up to now is 27.6 secs Computing kpt #: 352 total cpu time spent up to now is 27.7 secs Computing kpt #: 353 total cpu time spent up to now is 27.8 secs Computing kpt #: 354 total cpu time spent up to now is 27.8 secs Computing kpt #: 355 total cpu time spent up to now is 27.9 secs Computing kpt #: 356 total cpu time spent up to now is 28.0 secs Computing kpt #: 357 total cpu time spent up to now is 28.0 secs Computing kpt #: 358 total cpu time spent up to now is 28.1 secs Computing kpt #: 359 total cpu time spent up to now is 28.2 secs Computing kpt #: 360 total cpu time spent up to now is 28.3 secs Computing kpt #: 361 total cpu time spent up to now is 28.3 secs Computing kpt #: 362 total cpu time spent up to now is 28.4 secs Computing kpt #: 363 total cpu time spent up to now is 28.5 secs Computing kpt #: 364 total cpu time spent up to now is 28.6 secs Computing kpt #: 365 total cpu time spent up to now is 28.6 secs Computing kpt #: 366 total cpu time spent up to now is 28.7 secs Computing kpt #: 367 total cpu time spent up to now is 28.8 secs Computing kpt #: 368 total cpu time spent up to now is 28.9 secs Computing kpt #: 369 total cpu time spent up to now is 29.0 secs Computing kpt #: 370 total cpu time spent up to now is 29.0 secs Computing kpt #: 371 total cpu time spent up to now is 29.1 secs Computing kpt #: 372 total cpu time spent up to now is 29.2 secs Computing kpt #: 373 total cpu time spent up to now is 29.3 secs Computing kpt #: 374 total cpu time spent up to now is 29.4 secs Computing kpt #: 375 total cpu time spent up to now is 29.4 secs Computing kpt #: 376 total cpu time spent up to now is 29.5 secs Computing kpt #: 377 total cpu time spent up to now is 29.6 secs Computing kpt #: 378 total cpu time spent up to now is 29.7 secs Computing kpt #: 379 total cpu time spent up to now is 29.8 secs Computing kpt #: 380 total cpu time spent up to now is 29.8 secs Computing kpt #: 381 total cpu time spent up to now is 29.9 secs Computing kpt #: 382 total cpu time spent up to now is 30.0 secs Computing kpt #: 383 total cpu time spent up to now is 30.1 secs Computing kpt #: 384 total cpu time spent up to now is 30.2 secs Computing kpt #: 385 total cpu time spent up to now is 30.3 secs Computing kpt #: 386 total cpu time spent up to now is 30.3 secs Computing kpt #: 387 total cpu time spent up to now is 30.4 secs Computing kpt #: 388 total cpu time spent up to now is 30.5 secs Computing kpt #: 389 total cpu time spent up to now is 30.6 secs Computing kpt #: 390 total cpu time spent up to now is 30.7 secs Computing kpt #: 391 total cpu time spent up to now is 30.7 secs Computing kpt #: 392 total cpu time spent up to now is 30.8 secs Computing kpt #: 393 total cpu time spent up to now is 30.9 secs Computing kpt #: 394 total cpu time spent up to now is 31.0 secs Computing kpt #: 395 total cpu time spent up to now is 31.0 secs Computing kpt #: 396 total cpu time spent up to now is 31.1 secs Computing kpt #: 397 total cpu time spent up to now is 31.2 secs Computing kpt #: 398 total cpu time spent up to now is 31.3 secs Computing kpt #: 399 total cpu time spent up to now is 31.3 secs Computing kpt #: 400 total cpu time spent up to now is 31.4 secs Computing kpt #: 401 total cpu time spent up to now is 31.5 secs Computing kpt #: 402 total cpu time spent up to now is 31.6 secs Computing kpt #: 403 total cpu time spent up to now is 31.7 secs Computing kpt #: 404 total cpu time spent up to now is 31.7 secs Computing kpt #: 405 total cpu time spent up to now is 31.8 secs Computing kpt #: 406 total cpu time spent up to now is 31.9 secs Computing kpt #: 407 total cpu time spent up to now is 32.0 secs Computing kpt #: 408 total cpu time spent up to now is 32.1 secs Computing kpt #: 409 total cpu time spent up to now is 32.1 secs Computing kpt #: 410 total cpu time spent up to now is 32.2 secs Computing kpt #: 411 total cpu time spent up to now is 32.3 secs Computing kpt #: 412 total cpu time spent up to now is 32.4 secs Computing kpt #: 413 total cpu time spent up to now is 32.5 secs Computing kpt #: 414 total cpu time spent up to now is 32.6 secs Computing kpt #: 415 total cpu time spent up to now is 32.7 secs Computing kpt #: 416 total cpu time spent up to now is 32.7 secs Computing kpt #: 417 total cpu time spent up to now is 32.8 secs Computing kpt #: 418 total cpu time spent up to now is 32.9 secs Computing kpt #: 419 total cpu time spent up to now is 33.0 secs Computing kpt #: 420 total cpu time spent up to now is 33.1 secs Computing kpt #: 421 total cpu time spent up to now is 33.1 secs Computing kpt #: 422 total cpu time spent up to now is 33.2 secs Computing kpt #: 423 total cpu time spent up to now is 33.3 secs Computing kpt #: 424 total cpu time spent up to now is 33.4 secs Computing kpt #: 425 total cpu time spent up to now is 33.5 secs Computing kpt #: 426 total cpu time spent up to now is 33.6 secs Computing kpt #: 427 total cpu time spent up to now is 33.6 secs Computing kpt #: 428 total cpu time spent up to now is 33.7 secs Computing kpt #: 429 total cpu time spent up to now is 33.8 secs Computing kpt #: 430 total cpu time spent up to now is 33.9 secs Computing kpt #: 431 total cpu time spent up to now is 34.0 secs Computing kpt #: 432 total cpu time spent up to now is 34.0 secs Computing kpt #: 433 total cpu time spent up to now is 34.1 secs Computing kpt #: 434 total cpu time spent up to now is 34.2 secs Computing kpt #: 435 total cpu time spent up to now is 34.3 secs Computing kpt #: 436 total cpu time spent up to now is 34.4 secs Computing kpt #: 437 total cpu time spent up to now is 34.4 secs Computing kpt #: 438 total cpu time spent up to now is 34.5 secs Computing kpt #: 439 total cpu time spent up to now is 34.6 secs Computing kpt #: 440 total cpu time spent up to now is 34.7 secs Computing kpt #: 441 total cpu time spent up to now is 34.8 secs Computing kpt #: 442 total cpu time spent up to now is 34.9 secs Computing kpt #: 443 total cpu time spent up to now is 34.9 secs Computing kpt #: 444 total cpu time spent up to now is 35.0 secs Computing kpt #: 445 total cpu time spent up to now is 35.1 secs Computing kpt #: 446 total cpu time spent up to now is 35.2 secs Computing kpt #: 447 total cpu time spent up to now is 35.3 secs ethr = 6.25E-08, avg # of iterations = 11.2 total cpu time spent up to now is 35.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1471 PWs) bands (ev): -46.3720 -46.3720 -18.4379 -18.4379 -18.3702 -18.3702 -18.1912 -18.1912 -18.1912 -18.1912 0.6688 0.6688 0.7307 0.7307 0.7307 0.7307 7.0006 7.0006 19.7108 19.7108 19.7108 19.7108 19.7108 19.7108 k = 0.0074-0.0042 0.0060 ( 1471 PWs) bands (ev): -46.3720 -46.3720 -18.4412 -18.4412 -18.3680 -18.3680 -18.1912 -18.1912 -18.1900 -18.1900 0.6682 0.6682 0.7297 0.7297 0.7305 0.7305 7.0033 7.0033 19.6974 19.6974 19.7112 19.7112 19.7112 19.7112 k = 0.0147-0.0085 0.0120 ( 1491 PWs) bands (ev): -46.3720 -46.3720 -18.4500 -18.4500 -18.3629 -18.3629 -18.1914 -18.1914 -18.1866 -18.1866 0.6662 0.6662 0.7266 0.7266 0.7297 0.7297 7.0113 7.0113 19.6582 19.6582 19.7125 19.7125 19.7126 19.7126 k = 0.0221-0.0127 0.0180 ( 1499 PWs) bands (ev): -46.3720 -46.3720 -18.4622 -18.4622 -18.3564 -18.3564 -18.1916 -18.1916 -18.1806 -18.1806 0.6627 0.6627 0.7218 0.7218 0.7285 0.7285 7.0247 7.0247 19.5957 19.5957 19.7147 19.7147 19.7149 19.7149 k = 0.0294-0.0170 0.0240 ( 1507 PWs) bands (ev): -46.3720 -46.3720 -18.4764 -18.4764 -18.3500 -18.3500 -18.1919 -18.1919 -18.1723 -18.1723 0.6575 0.6575 0.7157 0.7157 0.7268 0.7268 7.0433 7.0433 19.5131 19.5131 19.7177 19.7177 19.7181 19.7181 k = 0.0368-0.0212 0.0300 ( 1507 PWs) bands (ev): -46.3719 -46.3719 -18.4917 -18.4917 -18.3442 -18.3442 -18.1922 -18.1922 -18.1619 -18.1619 0.6501 0.6501 0.7087 0.7087 0.7247 0.7247 7.0672 7.0672 19.4143 19.4143 19.7216 19.7216 19.7222 19.7222 k = 0.0441-0.0255 0.0360 ( 1519 PWs) bands (ev): -46.3718 -46.3718 -18.5077 -18.5077 -18.3393 -18.3393 -18.1926 -18.1926 -18.1499 -18.1499 0.6400 0.6400 0.7013 0.7013 0.7220 0.7220 7.0961 7.0961 19.3026 19.3026 19.7264 19.7264 19.7271 19.7271 k = 0.0515-0.0297 0.0420 ( 1527 PWs) bands (ev): -46.3717 -46.3717 -18.5240 -18.5240 -18.3354 -18.3354 -18.1930 -18.1930 -18.1365 -18.1365 0.6269 0.6269 0.6941 0.6941 0.7189 0.7189 7.1301 7.1301 19.1812 19.1812 19.7320 19.7320 19.7330 19.7330 k = 0.0588-0.0340 0.0480 ( 1527 PWs) bands (ev): -46.3716 -46.3716 -18.5405 -18.5405 -18.3321 -18.3321 -18.1934 -18.1934 -18.1219 -18.1219 0.6107 0.6107 0.6873 0.6873 0.7154 0.7154 7.1690 7.1690 19.0524 19.0524 19.7384 19.7384 19.7397 19.7397 k = 0.0662-0.0382 0.0540 ( 1527 PWs) bands (ev): -46.3714 -46.3714 -18.5569 -18.5569 -18.3296 -18.3296 -18.1939 -18.1939 -18.1064 -18.1064 0.5916 0.5916 0.6808 0.6808 0.7115 0.7115 7.2126 7.2126 18.9183 18.9183 19.7455 19.7455 19.7472 19.7472 k = 0.0735-0.0425 0.0600 ( 1527 PWs) bands (ev): -46.3713 -46.3713 -18.5732 -18.5732 -18.3276 -18.3276 -18.1944 -18.1944 -18.0904 -18.0904 0.5699 0.5699 0.6745 0.6745 0.7071 0.7071 7.2608 7.2608 18.7806 18.7806 19.7535 19.7535 19.7555 19.7555 k = 0.0809-0.0467 0.0660 ( 1523 PWs) bands (ev): -46.3711 -46.3711 -18.5892 -18.5892 -18.3262 -18.3262 -18.1949 -18.1949 -18.0739 -18.0739 0.5459 0.5459 0.6683 0.6683 0.7024 0.7024 7.3136 7.3136 18.6404 18.6404 19.7621 19.7621 19.7646 19.7646 k = 0.0882-0.0509 0.0720 ( 1523 PWs) bands (ev): -46.3709 -46.3709 -18.6049 -18.6049 -18.3251 -18.3251 -18.1955 -18.1955 -18.0573 -18.0573 0.5199 0.5199 0.6620 0.6620 0.6972 0.6972 7.3706 7.3706 18.4987 18.4987 19.7715 19.7715 19.7744 19.7744 k = 0.0956-0.0552 0.0780 ( 1523 PWs) bands (ev): -46.3707 -46.3707 -18.6202 -18.6202 -18.3243 -18.3243 -18.1962 -18.1962 -18.0406 -18.0406 0.4921 0.4921 0.6556 0.6556 0.6916 0.6916 7.4319 7.4319 18.3564 18.3564 19.7816 19.7816 19.7849 19.7849 k = 0.1029-0.0594 0.0841 ( 1531 PWs) bands (ev): -46.3705 -46.3705 -18.6350 -18.6350 -18.3240 -18.3240 -18.1970 -18.1970 -18.0241 -18.0241 0.4627 0.4627 0.6489 0.6489 0.6857 0.6857 7.4971 7.4971 18.2141 18.2141 19.7923 19.7923 19.7961 19.7961 k = 0.1103-0.0637 0.0901 ( 1531 PWs) bands (ev): -46.3702 -46.3702 -18.6494 -18.6494 -18.3237 -18.3237 -18.1977 -18.1977 -18.0077 -18.0077 0.4321 0.4321 0.6421 0.6421 0.6794 0.6794 7.5662 7.5662 18.0721 18.0721 19.8036 19.8036 19.8079 19.8079 k = 0.1176-0.0679 0.0961 ( 1531 PWs) bands (ev): -46.3700 -46.3700 -18.6631 -18.6631 -18.3237 -18.3237 -18.1985 -18.1985 -17.9917 -17.9917 0.4003 0.4003 0.6351 0.6351 0.6728 0.6728 7.6390 7.6390 17.9311 17.9311 19.8154 19.8154 19.8204 19.8204 k = 0.1250-0.0722 0.1021 ( 1531 PWs) bands (ev): -46.3697 -46.3697 -18.6763 -18.6763 -18.3238 -18.3238 -18.1994 -18.1994 -17.9760 -17.9760 0.3676 0.3676 0.6278 0.6278 0.6658 0.6658 7.7153 7.7153 17.7912 17.7912 19.8279 19.8279 19.8334 19.8334 k = 0.1324-0.0764 0.1081 ( 1531 PWs) bands (ev): -46.3694 -46.3694 -18.6889 -18.6889 -18.3240 -18.3240 -18.2002 -18.2002 -17.9607 -17.9607 0.3342 0.3342 0.6203 0.6203 0.6586 0.6586 7.7950 7.7950 17.6527 17.6527 19.8408 19.8408 19.8469 19.8469 k = 0.1397-0.0807 0.1141 ( 1531 PWs) bands (ev): -46.3691 -46.3691 -18.7008 -18.7008 -18.3243 -18.3243 -18.2011 -18.2011 -17.9460 -17.9460 0.3003 0.3003 0.6126 0.6126 0.6510 0.6510 7.8779 7.8779 17.5159 17.5159 19.8542 19.8542 19.8609 19.8609 k = 0.1471-0.0849 0.1201 ( 1535 PWs) bands (ev): -46.3688 -46.3688 -18.7120 -18.7120 -18.3248 -18.3248 -18.2021 -18.2021 -17.9320 -17.9320 0.2659 0.2659 0.6046 0.6046 0.6433 0.6433 7.9639 7.9639 17.3809 17.3809 19.8680 19.8680 19.8754 19.8754 k = 0.1544-0.0891 0.1261 ( 1551 PWs) bands (ev): -46.3685 -46.3685 -18.7224 -18.7224 -18.3256 -18.3256 -18.2033 -18.2033 -17.9185 -17.9185 0.2313 0.2313 0.5963 0.5963 0.6351 0.6351 8.0528 8.0528 17.2479 17.2479 19.8822 19.8822 19.8902 19.8902 k = 0.1618-0.0934 0.1321 ( 1551 PWs) bands (ev): -46.3682 -46.3682 -18.7321 -18.7321 -18.3262 -18.3262 -18.2043 -18.2043 -17.9058 -17.9058 0.1967 0.1967 0.5879 0.5879 0.6269 0.6269 8.1445 8.1445 17.1170 17.1170 19.8968 19.8968 19.9055 19.9055 k = 0.1691-0.0976 0.1381 ( 1547 PWs) bands (ev): -46.3679 -46.3679 -18.7410 -18.7410 -18.3269 -18.3269 -18.2054 -18.2054 -17.8936 -17.8936 0.1621 0.1621 0.5794 0.5794 0.6184 0.6184 8.2390 8.2390 16.9883 16.9883 19.9117 19.9117 19.9210 19.9210 k = 0.1765-0.1019 0.1441 ( 1551 PWs) bands (ev): -46.3675 -46.3675 -18.7492 -18.7492 -18.3276 -18.3276 -18.2065 -18.2065 -17.8824 -17.8824 0.1276 0.1276 0.5706 0.5706 0.6097 0.6097 8.3359 8.3359 16.8619 16.8619 19.9269 19.9269 19.9369 19.9369 k = 0.1838-0.1061 0.1501 ( 1551 PWs) bands (ev): -46.3672 -46.3672 -18.7565 -18.7565 -18.3284 -18.3284 -18.2076 -18.2076 -17.8720 -17.8720 0.0935 0.0935 0.5617 0.5617 0.6009 0.6009 8.4354 8.4354 16.7379 16.7379 19.9423 19.9423 19.9530 19.9530 k = 0.1912-0.1104 0.1561 ( 1551 PWs) bands (ev): -46.3668 -46.3668 -18.7630 -18.7630 -18.3293 -18.3293 -18.2087 -18.2087 -17.8624 -17.8624 0.0598 0.0598 0.5527 0.5527 0.5920 0.5920 8.5371 8.5371 16.6164 16.6164 19.9579 19.9579 19.9693 19.9693 k = 0.1985-0.1146 0.1621 ( 1555 PWs) bands (ev): -46.3664 -46.3664 -18.7687 -18.7687 -18.3301 -18.3301 -18.2098 -18.2098 -17.8538 -17.8538 0.0265 0.0265 0.5436 0.5436 0.5829 0.5829 8.6410 8.6410 16.4973 16.4973 19.9737 19.9737 19.9859 19.9859 k = 0.2059-0.1189 0.1681 ( 1555 PWs) bands (ev): -46.3661 -46.3661 -18.7735 -18.7735 -18.3310 -18.3310 -18.2110 -18.2110 -17.8461 -17.8461 -0.0062 -0.0062 0.5344 0.5344 0.5738 0.5738 8.7471 8.7471 16.3809 16.3809 19.9897 19.9897 20.0025 20.0025 k = 0.2132-0.1231 0.1741 ( 1559 PWs) bands (ev): -46.3657 -46.3657 -18.7774 -18.7774 -18.3320 -18.3320 -18.2122 -18.2122 -17.8393 -17.8393 -0.0381 -0.0381 0.5251 0.5251 0.5645 0.5645 8.8552 8.8552 16.2670 16.2670 20.0057 20.0057 20.0192 20.0192 k = 0.2206-0.1274 0.1801 ( 1559 PWs) bands (ev): -46.3653 -46.3653 -18.7805 -18.7805 -18.3330 -18.3330 -18.2134 -18.2134 -17.8335 -17.8335 -0.0693 -0.0693 0.5158 0.5158 0.5552 0.5552 8.9652 8.9652 16.1558 16.1558 20.0218 20.0218 20.0360 20.0360 k = 0.2279-0.1316 0.1861 ( 1559 PWs) bands (ev): -46.3649 -46.3649 -18.7826 -18.7826 -18.3339 -18.3339 -18.2146 -18.2146 -17.8286 -17.8286 -0.0996 -0.0996 0.5065 0.5065 0.5459 0.5459 9.0771 9.0771 16.0472 16.0472 20.0379 20.0379 20.0529 20.0529 k = 0.2353-0.1358 0.1921 ( 1559 PWs) bands (ev): -46.3645 -46.3645 -18.7839 -18.7839 -18.3349 -18.3349 -18.2158 -18.2158 -17.8248 -17.8248 -0.1290 -0.1290 0.4971 0.4971 0.5366 0.5366 9.1908 9.1908 15.9414 15.9414 20.0540 20.0540 20.0697 20.0697 k = 0.2426-0.1401 0.1981 ( 1571 PWs) bands (ev): -46.3642 -46.3642 -18.7844 -18.7844 -18.3360 -18.3360 -18.2172 -18.2172 -17.8221 -17.8221 -0.1575 -0.1575 0.4877 0.4877 0.5271 0.5271 9.3061 9.3061 15.8383 15.8383 19.9889 19.9889 20.0705 20.0705 k = 0.2500-0.1443 0.2041 ( 1587 PWs) bands (ev): -46.3638 -46.3638 -18.7840 -18.7840 -18.3371 -18.3371 -18.2185 -18.2185 -17.8205 -17.8205 -0.1852 -0.1852 0.4784 0.4784 0.5178 0.5178 9.4230 9.4230 15.7379 15.7379 19.8042 19.8042 20.0864 20.0864 k = 0.2574-0.1486 0.2101 ( 1579 PWs) bands (ev): -46.3634 -46.3634 -18.7825 -18.7825 -18.3381 -18.3381 -18.2197 -18.2197 -17.8197 -17.8197 -0.2115 -0.2115 0.4691 0.4691 0.5085 0.5085 9.5416 9.5416 15.6403 15.6403 19.6199 19.6199 20.1023 20.1023 k = 0.2647-0.1528 0.2161 ( 1571 PWs) bands (ev): -46.3630 -46.3630 -18.7802 -18.7802 -18.3390 -18.3390 -18.2208 -18.2208 -17.8199 -17.8199 -0.2369 -0.2369 0.4600 0.4600 0.4994 0.4994 9.6616 9.6616 15.5456 15.5456 19.4361 19.4361 20.1181 20.1181 k = 0.2721-0.1571 0.2221 ( 1571 PWs) bands (ev): -46.3626 -46.3626 -18.7771 -18.7771 -18.3400 -18.3400 -18.2220 -18.2220 -17.8213 -17.8213 -0.2612 -0.2612 0.4508 0.4508 0.4903 0.4903 9.7830 9.7830 15.4536 15.4536 19.2530 19.2530 20.1338 20.1338 k = 0.2794-0.1613 0.2281 ( 1571 PWs) bands (ev): -46.3623 -46.3623 -18.7731 -18.7731 -18.3409 -18.3409 -18.2232 -18.2232 -17.8236 -17.8236 -0.2844 -0.2844 0.4418 0.4418 0.4812 0.4812 9.9058 9.9058 15.3644 15.3644 19.0706 19.0706 20.1493 20.1493 k = 0.2868-0.1656 0.2341 ( 1571 PWs) bands (ev): -46.3619 -46.3619 -18.7682 -18.7682 -18.3419 -18.3419 -18.2244 -18.2244 -17.8271 -17.8271 -0.3065 -0.3065 0.4330 0.4330 0.4724 0.4724 10.0299 10.0299 15.2781 15.2781 18.8889 18.8889 20.1646 20.1646 k = 0.2941-0.1698 0.2401 ( 1572 PWs) bands (ev): -46.3615 -46.3615 -18.7626 -18.7626 -18.3428 -18.3428 -18.2256 -18.2256 -17.8315 -17.8315 -0.3275 -0.3275 0.4242 0.4242 0.4636 0.4636 10.1553 10.1553 15.1946 15.1946 18.7082 18.7082 20.1797 20.1797 k = 0.3015-0.1741 0.2461 ( 1572 PWs) bands (ev): -46.3611 -46.3611 -18.7560 -18.7560 -18.3437 -18.3437 -18.2268 -18.2268 -17.8370 -17.8370 -0.3474 -0.3474 0.4156 0.4156 0.4550 0.4550 10.2819 10.2819 15.1140 15.1140 18.5283 18.5283 20.1945 20.1945 k = 0.3088-0.1783 0.2522 ( 1572 PWs) bands (ev): -46.3608 -46.3608 -18.7487 -18.7487 -18.3445 -18.3445 -18.2279 -18.2279 -17.8434 -17.8434 -0.3662 -0.3662 0.4072 0.4072 0.4466 0.4466 10.4096 10.4096 15.0363 15.0363 18.3495 18.3495 20.2090 20.2090 k = 0.3162-0.1825 0.2582 ( 1572 PWs) bands (ev): -46.3604 -46.3604 -18.7405 -18.7405 -18.3453 -18.3453 -18.2290 -18.2290 -17.8508 -17.8508 -0.3838 -0.3838 0.3990 0.3990 0.4383 0.4383 10.5385 10.5385 14.9614 14.9614 18.1717 18.1717 20.2232 20.2232 k = 0.3235-0.1868 0.2642 ( 1580 PWs) bands (ev): -46.3601 -46.3601 -18.7317 -18.7317 -18.3462 -18.3462 -18.2302 -18.2302 -17.8592 -17.8592 -0.4005 -0.4005 0.3909 0.3909 0.4303 0.4303 10.6685 10.6685 14.8895 14.8895 17.9949 17.9949 20.2370 20.2370 k = 0.3309-0.1910 0.2702 ( 1580 PWs) bands (ev): -46.3598 -46.3598 -18.7220 -18.7220 -18.3468 -18.3468 -18.2313 -18.2313 -17.8685 -17.8685 -0.4160 -0.4160 0.3831 0.3831 0.4225 0.4225 10.7995 10.7995 14.8204 14.8204 17.8192 17.8192 20.2505 20.2505 k = 0.3382-0.1953 0.2762 ( 1580 PWs) bands (ev): -46.3594 -46.3594 -18.7116 -18.7116 -18.3475 -18.3475 -18.2324 -18.2324 -17.8787 -17.8787 -0.4305 -0.4305 0.3755 0.3755 0.4149 0.4149 10.9315 10.9315 14.7542 14.7542 17.6447 17.6447 20.2637 20.2637 k = 0.3456-0.1995 0.2822 ( 1580 PWs) bands (ev): -46.3591 -46.3591 -18.7005 -18.7005 -18.3480 -18.3480 -18.2334 -18.2334 -17.8897 -17.8897 -0.4440 -0.4440 0.3682 0.3682 0.4075 0.4075 11.0645 11.0645 14.6909 14.6909 17.4713 17.4713 20.2764 20.2764 k = 0.3529-0.2038 0.2882 ( 1572 PWs) bands (ev): -46.3588 -46.3588 -18.6887 -18.6887 -18.3484 -18.3484 -18.2344 -18.2344 -17.9016 -17.9016 -0.4564 -0.4564 0.3612 0.3612 0.4005 0.4005 11.1984 11.1984 14.6306 14.6306 17.2991 17.2991 20.2886 20.2886 k = 0.3603-0.2080 0.2942 ( 1572 PWs) bands (ev): -46.3585 -46.3585 -18.6763 -18.6763 -18.3488 -18.3488 -18.2353 -18.2353 -17.9143 -17.9143 -0.4680 -0.4680 0.3544 0.3544 0.3936 0.3936 11.3333 11.3333 14.5732 14.5732 17.1281 17.1281 20.3005 20.3005 k = 0.3676-0.2123 0.3002 ( 1572 PWs) bands (ev): -46.3582 -46.3582 -18.6634 -18.6634 -18.3490 -18.3490 -18.2362 -18.2362 -17.9277 -17.9277 -0.4787 -0.4787 0.3478 0.3478 0.3871 0.3871 11.4689 11.4689 14.5186 14.5186 16.9584 16.9584 20.3118 20.3118 k = 0.3750-0.2165 0.3062 ( 1572 PWs) bands (ev): -46.3579 -46.3579 -18.6499 -18.6499 -18.3491 -18.3491 -18.2371 -18.2371 -17.9419 -17.9419 -0.4885 -0.4885 0.3416 0.3416 0.3809 0.3809 11.6054 11.6054 14.4671 14.4671 16.7898 16.7898 20.3227 20.3227 k = 0.3824-0.2208 0.3122 ( 1576 PWs) bands (ev): -46.3576 -46.3576 -18.6361 -18.6361 -18.3490 -18.3490 -18.2380 -18.2380 -17.9568 -17.9568 -0.4974 -0.4974 0.3357 0.3357 0.3749 0.3749 11.7427 11.7427 14.4184 14.4184 16.6225 16.6225 20.3331 20.3331 k = 0.3897-0.2250 0.3182 ( 1584 PWs) bands (ev): -46.3574 -46.3574 -18.6219 -18.6219 -18.3487 -18.3487 -18.2388 -18.2388 -17.9723 -17.9723 -0.5057 -0.5057 0.3300 0.3300 0.3693 0.3693 11.8808 11.8808 14.3727 14.3727 16.4564 16.4564 20.3429 20.3429 k = 0.3971-0.2292 0.3242 ( 1584 PWs) bands (ev): -46.3572 -46.3572 -18.6073 -18.6073 -18.3482 -18.3482 -18.2396 -18.2396 -17.9883 -17.9883 -0.5131 -0.5131 0.3247 0.3247 0.3640 0.3640 12.0196 12.0196 14.3299 14.3299 16.2916 16.2916 20.3522 20.3522 k = 0.4044-0.2335 0.3302 ( 1584 PWs) bands (ev): -46.3569 -46.3569 -18.5925 -18.5925 -18.3474 -18.3474 -18.2403 -18.2403 -18.0048 -18.0048 -0.5198 -0.5198 0.3198 0.3198 0.3590 0.3590 12.1591 12.1591 14.2900 14.2900 16.1281 16.1281 20.3609 20.3609 k = 0.4118-0.2377 0.3362 ( 1576 PWs) bands (ev): -46.3567 -46.3567 -18.5775 -18.5775 -18.3463 -18.3463 -18.2409 -18.2409 -18.0216 -18.0216 -0.5258 -0.5258 0.3151 0.3151 0.3544 0.3544 12.2992 12.2992 14.2531 14.2531 15.9658 15.9658 20.3690 20.3690 k = 0.4191-0.2420 0.3422 ( 1576 PWs) bands (ev): -46.3565 -46.3565 -18.5626 -18.5626 -18.3447 -18.3447 -18.2416 -18.2416 -18.0389 -18.0389 -0.5311 -0.5311 0.3109 0.3109 0.3501 0.3501 12.4399 12.4399 14.2192 14.2192 15.8048 15.8048 20.3766 20.3766 k = 0.4265-0.2462 0.3482 ( 1576 PWs) bands (ev): -46.3563 -46.3563 -18.5479 -18.5479 -18.3427 -18.3427 -18.2421 -18.2421 -18.0564 -18.0564 -0.5359 -0.5359 0.3069 0.3069 0.3461 0.3461 12.5811 12.5811 14.1882 14.1882 15.6453 15.6453 20.3835 20.3835 k = 0.4338-0.2505 0.3542 ( 1576 PWs) bands (ev): -46.3562 -46.3562 -18.5335 -18.5335 -18.3401 -18.3401 -18.2427 -18.2427 -18.0741 -18.0741 -0.5401 -0.5401 0.3033 0.3033 0.3425 0.3425 12.7228 12.7228 14.1601 14.1601 15.4871 15.4871 20.3898 20.3898 k = 0.4412-0.2547 0.3602 ( 1576 PWs) bands (ev): -46.3560 -46.3560 -18.5198 -18.5198 -18.3367 -18.3367 -18.2432 -18.2432 -18.0919 -18.0919 -0.5438 -0.5438 0.3001 0.3001 0.3393 0.3393 12.8647 12.8647 14.1350 14.1350 15.3304 15.3304 20.3955 20.3955 k = 0.4485-0.2590 0.3662 ( 1584 PWs) bands (ev): -46.3559 -46.3559 -18.5071 -18.5071 -18.3325 -18.3325 -18.2437 -18.2437 -18.1097 -18.1097 -0.5469 -0.5469 0.2972 0.2972 0.3364 0.3364 13.0067 13.0067 14.1128 14.1128 15.1755 15.1755 20.4006 20.4006 k = 0.4559-0.2632 0.3722 ( 1584 PWs) bands (ev): -46.3558 -46.3558 -18.4954 -18.4954 -18.3274 -18.3274 -18.2441 -18.2441 -18.1271 -18.1271 -0.5496 -0.5496 0.2947 0.2947 0.3339 0.3339 13.1486 13.1486 14.0936 14.0936 15.0225 15.0225 20.4050 20.4050 k = 0.4632-0.2674 0.3782 ( 1584 PWs) bands (ev): -46.3557 -46.3557 -18.4852 -18.4852 -18.3212 -18.3212 -18.2444 -18.2444 -18.1440 -18.1440 -0.5518 -0.5518 0.2926 0.2926 0.3318 0.3318 13.2896 13.2896 14.0774 14.0774 14.8721 14.8721 20.4087 20.4087 k = 0.4706-0.2717 0.3842 ( 1588 PWs) bands (ev): -46.3557 -46.3557 -18.4766 -18.4766 -18.3143 -18.3143 -18.2446 -18.2446 -18.1601 -18.1601 -0.5537 -0.5537 0.2909 0.2909 0.3301 0.3301 13.4288 13.4288 14.0641 14.0641 14.7252 14.7252 20.4117 20.4117 k = 0.4779-0.2759 0.3902 ( 1588 PWs) bands (ev): -46.3556 -46.3556 -18.4698 -18.4698 -18.3069 -18.3069 -18.2448 -18.2448 -18.1746 -18.1746 -0.5551 -0.5551 0.2895 0.2895 0.3287 0.3287 13.5640 13.5640 14.0537 14.0537 14.5840 14.5840 20.4141 20.4141 k = 0.4853-0.2802 0.3962 ( 1588 PWs) bands (ev): -46.3556 -46.3556 -18.4649 -18.4649 -18.2998 -18.2998 -18.2450 -18.2450 -18.1868 -18.1868 -0.5560 -0.5560 0.2886 0.2886 0.3278 0.3278 13.6901 13.6901 14.0463 14.0463 14.4538 14.4538 20.4158 20.4158 k = 0.4926-0.2844 0.4022 ( 1588 PWs) bands (ev): -46.3555 -46.3555 -18.4620 -18.4620 -18.2945 -18.2945 -18.2450 -18.2450 -18.1953 -18.1953 -0.5566 -0.5566 0.2880 0.2880 0.3272 0.3272 13.7927 13.7927 14.0419 14.0419 14.3486 14.3486 20.4169 20.4169 k = 0.5000-0.2887 0.4082 ( 1588 PWs) bands (ev): -46.3555 -46.3555 -18.4610 -18.4610 -18.2924 -18.2924 -18.2451 -18.2451 -18.1984 -18.1984 -0.5568 -0.5568 0.2878 0.2878 0.3270 0.3270 13.8369 13.8369 14.0404 14.0404 14.3035 14.3035 20.4172 20.4172 k = 0.5000-0.2887 0.4082 ( 1588 PWs) bands (ev): -46.3555 -46.3555 -18.4610 -18.4610 -18.2924 -18.2924 -18.2451 -18.2451 -18.1984 -18.1984 -0.5568 -0.5568 0.2878 0.2878 0.3270 0.3270 13.8369 13.8369 14.0404 14.0404 14.3035 14.3035 20.4172 20.4172 k = 0.5000-0.2802 0.4143 ( 1588 PWs) bands (ev): -46.3555 -46.3555 -18.4613 -18.4613 -18.2938 -18.2938 -18.2492 -18.2492 -18.1924 -18.1924 -0.5564 -0.5564 0.2874 0.2874 0.3265 0.3265 13.8370 13.8370 14.0402 14.0402 14.3057 14.3057 20.4147 20.4147 k = 0.5000-0.2717 0.4203 ( 1584 PWs) bands (ev): -46.3555 -46.3555 -18.4623 -18.4623 -18.2983 -18.2983 -18.2570 -18.2570 -18.1788 -18.1788 -0.5552 -0.5552 0.2861 0.2861 0.3252 0.3252 13.8372 13.8372 14.0398 14.0398 14.3121 14.3121 20.4004 20.4004 k = 0.5000-0.2632 0.4263 ( 1582 PWs) bands (ev): -46.3555 -46.3555 -18.4640 -18.4640 -18.3063 -18.3063 -18.2636 -18.2636 -18.1621 -18.1621 -0.5532 -0.5532 0.2839 0.2839 0.3230 0.3230 13.8376 13.8376 14.0390 14.0390 14.3227 14.3227 20.3700 20.3700 k = 0.5000-0.2547 0.4323 ( 1582 PWs) bands (ev): -46.3555 -46.3555 -18.4666 -18.4666 -18.3170 -18.3170 -18.2678 -18.2678 -18.1440 -18.1440 -0.5504 -0.5504 0.2808 0.2808 0.3200 0.3200 13.8382 13.8382 14.0378 14.0378 14.3376 14.3376 20.3259 20.3259 k = 0.5000-0.2462 0.4383 ( 1582 PWs) bands (ev): -46.3555 -46.3555 -18.4701 -18.4701 -18.3290 -18.3290 -18.2704 -18.2704 -18.1253 -18.1253 -0.5469 -0.5469 0.2768 0.2768 0.3161 0.3161 13.8389 13.8389 14.0364 14.0364 14.3566 14.3566 20.2699 20.2699 k = 0.5000-0.2377 0.4443 ( 1576 PWs) bands (ev): -46.3555 -46.3555 -18.4748 -18.4748 -18.3409 -18.3409 -18.2720 -18.2720 -18.1062 -18.1062 -0.5425 -0.5425 0.2720 0.2720 0.3115 0.3115 13.8397 13.8397 14.0347 14.0347 14.3798 14.3798 20.2034 20.2034 k = 0.5000-0.2292 0.4503 ( 1568 PWs) bands (ev): -46.3555 -46.3555 -18.4806 -18.4806 -18.3520 -18.3520 -18.2731 -18.2731 -18.0870 -18.0870 -0.5374 -0.5374 0.2662 0.2662 0.3063 0.3063 13.8408 13.8408 14.0327 14.0327 14.4071 14.4071 20.1275 20.1275 k = 0.5000-0.2208 0.4563 ( 1568 PWs) bands (ev): -46.3554 -46.3554 -18.4880 -18.4880 -18.3619 -18.3619 -18.2740 -18.2740 -18.0678 -18.0678 -0.5315 -0.5315 0.2596 0.2596 0.3003 0.3003 13.8419 13.8419 14.0304 14.0304 14.4384 14.4384 20.0434 20.0434 k = 0.5000-0.2123 0.4623 ( 1568 PWs) bands (ev): -46.3554 -46.3554 -18.4967 -18.4967 -18.3704 -18.3704 -18.2748 -18.2748 -18.0487 -18.0487 -0.5248 -0.5248 0.2520 0.2520 0.2937 0.2937 13.8432 13.8432 14.0278 14.0278 14.4737 14.4737 19.9520 19.9520 k = 0.5000-0.2038 0.4683 ( 1568 PWs) bands (ev): -46.3554 -46.3554 -18.5066 -18.5066 -18.3773 -18.3773 -18.2756 -18.2756 -18.0299 -18.0299 -0.5174 -0.5174 0.2434 0.2434 0.2867 0.2867 13.8447 13.8447 14.0250 14.0250 14.5128 14.5128 19.8543 19.8543 k = 0.5000-0.1953 0.4743 ( 1572 PWs) bands (ev): -46.3554 -46.3554 -18.5177 -18.5177 -18.3829 -18.3829 -18.2763 -18.2763 -18.0113 -18.0113 -0.5093 -0.5093 0.2340 0.2340 0.2793 0.2793 13.8463 13.8463 14.0220 14.0220 14.5557 14.5557 19.7514 19.7514 k = 0.5000-0.1868 0.4803 ( 1572 PWs) bands (ev): -46.3554 -46.3554 -18.5295 -18.5295 -18.3873 -18.3873 -18.2769 -18.2769 -17.9930 -17.9930 -0.5004 -0.5004 0.2236 0.2236 0.2715 0.2715 13.8481 13.8481 14.0187 14.0187 14.6022 14.6022 19.6441 19.6441 k = 0.5000-0.1783 0.4863 ( 1568 PWs) bands (ev): -46.3554 -46.3554 -18.5419 -18.5419 -18.3906 -18.3906 -18.2775 -18.2775 -17.9752 -17.9752 -0.4908 -0.4908 0.2124 0.2124 0.2636 0.2636 13.8500 13.8500 14.0152 14.0152 14.6523 14.6523 19.5331 19.5331 k = 0.5000-0.1698 0.4923 ( 1568 PWs) bands (ev): -46.3554 -46.3554 -18.5545 -18.5545 -18.3932 -18.3932 -18.2783 -18.2783 -17.9577 -17.9577 -0.4805 -0.4805 0.2002 0.2002 0.2555 0.2555 13.8521 13.8521 14.0116 14.0116 14.7057 14.7057 19.4192 19.4192 k = 0.5000-0.1613 0.4983 ( 1572 PWs) bands (ev): -46.3554 -46.3554 -18.5673 -18.5673 -18.3952 -18.3952 -18.2790 -18.2790 -17.9408 -17.9408 -0.4695 -0.4695 0.1872 0.1872 0.2472 0.2472 13.8543 13.8543 14.0077 14.0077 14.7624 14.7624 19.3030 19.3030 k = 0.5000-0.1528 0.5043 ( 1572 PWs) bands (ev): -46.3554 -46.3554 -18.5799 -18.5799 -18.3966 -18.3966 -18.2796 -18.2796 -17.9245 -17.9245 -0.4578 -0.4578 0.1734 0.1734 0.2390 0.2390 13.8566 13.8566 14.0037 14.0037 14.8222 14.8222 19.1852 19.1852 k = 0.5000-0.1443 0.5103 ( 1568 PWs) bands (ev): -46.3554 -46.3554 -18.5923 -18.5923 -18.3977 -18.3977 -18.2803 -18.2803 -17.9087 -17.9087 -0.4455 -0.4455 0.1588 0.1588 0.2308 0.2308 13.8591 13.8591 13.9996 13.9996 14.8849 14.8849 19.0662 19.0662 k = 0.5000-0.1358 0.5163 ( 1576 PWs) bands (ev): -46.3554 -46.3554 -18.6045 -18.6045 -18.3985 -18.3985 -18.2811 -18.2811 -17.8936 -17.8936 -0.4325 -0.4325 0.1435 0.1435 0.2227 0.2227 13.8618 13.8618 13.9953 13.9953 14.9502 14.9502 18.9467 18.9467 k = 0.5000-0.1274 0.5223 ( 1570 PWs) bands (ev): -46.3554 -46.3554 -18.6160 -18.6160 -18.3990 -18.3990 -18.2817 -18.2817 -17.8792 -17.8792 -0.4190 -0.4190 0.1275 0.1275 0.2148 0.2148 13.8646 13.8646 13.9909 13.9909 15.0179 15.0179 18.8271 18.8271 k = 0.5000-0.1189 0.5283 ( 1570 PWs) bands (ev): -46.3554 -46.3554 -18.6271 -18.6271 -18.3993 -18.3993 -18.2824 -18.2824 -17.8655 -17.8655 -0.4048 -0.4048 0.1109 0.1109 0.2070 0.2070 13.8675 13.8675 13.9864 13.9864 15.0878 15.0878 18.7079 18.7079 k = 0.5000-0.1104 0.5343 ( 1570 PWs) bands (ev): -46.3554 -46.3554 -18.6377 -18.6377 -18.3995 -18.3995 -18.2830 -18.2830 -17.8526 -17.8526 -0.3900 -0.3900 0.0938 0.0938 0.1995 0.1995 13.8705 13.8705 13.9818 13.9818 15.1595 15.1595 18.5898 18.5898 k = 0.5000-0.1019 0.5403 ( 1570 PWs) bands (ev): -46.3554 -46.3554 -18.6476 -18.6476 -18.3996 -18.3996 -18.2836 -18.2836 -17.8405 -17.8405 -0.3748 -0.3748 0.0762 0.0762 0.1924 0.1924 13.8737 13.8737 13.9772 13.9772 15.2326 15.2326 18.4732 18.4732 k = 0.5000-0.0934 0.5463 ( 1574 PWs) bands (ev): -46.3554 -46.3554 -18.6569 -18.6569 -18.3996 -18.3996 -18.2843 -18.2843 -17.8293 -17.8293 -0.3590 -0.3590 0.0581 0.0581 0.1855 0.1855 13.8770 13.8770 13.9725 13.9725 15.3066 15.3066 18.3587 18.3587 k = 0.5000-0.0849 0.5523 ( 1570 PWs) bands (ev): -46.3554 -46.3554 -18.6655 -18.6655 -18.3994 -18.3994 -18.2847 -18.2847 -17.8190 -17.8190 -0.3426 -0.3426 0.0396 0.0396 0.1791 0.1791 13.8804 13.8804 13.9678 13.9678 15.3810 15.3810 18.2470 18.2470 k = 0.5000-0.0764 0.5583 ( 1574 PWs) bands (ev): -46.3554 -46.3554 -18.6734 -18.6734 -18.3994 -18.3994 -18.2853 -18.2853 -17.8095 -17.8095 -0.3259 -0.3259 0.0208 0.0208 0.1731 0.1731 13.8840 13.8840 13.9631 13.9631 15.4552 15.4552 18.1390 18.1390 k = 0.5000-0.0679 0.5643 ( 1572 PWs) bands (ev): -46.3554 -46.3554 -18.6804 -18.6804 -18.3992 -18.3992 -18.2858 -18.2858 -17.8009 -17.8009 -0.3087 -0.3087 0.0018 0.0018 0.1677 0.1677 13.8876 13.8876 13.9583 13.9583 15.5282 15.5282 18.0354 18.0354 k = 0.5000-0.0594 0.5703 ( 1572 PWs) bands (ev): -46.3554 -46.3554 -18.6867 -18.6867 -18.3990 -18.3990 -18.2863 -18.2863 -17.7933 -17.7933 -0.2911 -0.2911 -0.0175 -0.0175 0.1628 0.1628 13.8914 13.8914 13.9535 13.9535 15.5991 15.5991 17.9374 17.9374 k = 0.5000-0.0509 0.5764 ( 1572 PWs) bands (ev): -46.3554 -46.3554 -18.6922 -18.6922 -18.3989 -18.3989 -18.2867 -18.2867 -17.7866 -17.7866 -0.2732 -0.2732 -0.0370 -0.0370 0.1585 0.1585 13.8953 13.8953 13.9488 13.9488 15.6666 15.6666 17.8464 17.8464 k = 0.5000-0.0425 0.5824 ( 1576 PWs) bands (ev): -46.3554 -46.3554 -18.6969 -18.6969 -18.3988 -18.3988 -18.2870 -18.2870 -17.7810 -17.7810 -0.2550 -0.2550 -0.0565 -0.0565 0.1547 0.1547 13.8993 13.8993 13.9441 13.9441 15.7290 15.7290 17.7640 17.7640 k = 0.5000-0.0340 0.5884 ( 1568 PWs) bands (ev): -46.3554 -46.3554 -18.7007 -18.7007 -18.3985 -18.3985 -18.2873 -18.2873 -17.7764 -17.7764 -0.2365 -0.2365 -0.0760 -0.0760 0.1517 0.1517 13.9033 13.9033 13.9394 13.9394 15.7846 15.7846 17.6920 17.6920 k = 0.5000-0.0255 0.5944 ( 1568 PWs) bands (ev): -46.3554 -46.3554 -18.7037 -18.7037 -18.3984 -18.3984 -18.2875 -18.2875 -17.7727 -17.7727 -0.2181 -0.2181 -0.0953 -0.0953 0.1492 0.1492 13.9075 13.9075 13.9348 13.9348 15.8313 15.8313 17.6325 17.6325 k = 0.5000-0.0170 0.6004 ( 1564 PWs) bands (ev): -46.3554 -46.3554 -18.7058 -18.7058 -18.3983 -18.3983 -18.2876 -18.2876 -17.7701 -17.7701 -0.1999 -0.1999 -0.1141 -0.1141 0.1475 0.1475 13.9116 13.9116 13.9303 13.9303 15.8668 15.8668 17.5879 17.5879 k = 0.5000-0.0085 0.6064 ( 1564 PWs) bands (ev): -46.3554 -46.3554 -18.7071 -18.7071 -18.3983 -18.3983 -18.2877 -18.2877 -17.7685 -17.7685 -0.1832 -0.1832 -0.1312 -0.1312 0.1465 0.1465 13.9157 13.9157 13.9261 13.9261 15.8890 15.8890 17.5601 17.5601 k = 0.5000-0.0000 0.6124 ( 1564 PWs) bands (ev): -46.3554 -46.3554 -18.7076 -18.7076 -18.3983 -18.3983 -18.2878 -18.2878 -17.7680 -17.7680 -0.1741 -0.1741 -0.1404 -0.1404 0.1461 0.1461 13.9182 13.9182 13.9235 13.9235 15.8966 15.8966 17.5507 17.5507 k = 0.5000-0.0000 0.6124 ( 1564 PWs) bands (ev): -46.3554 -46.3554 -18.7076 -18.7076 -18.3983 -18.3983 -18.2878 -18.2878 -17.7680 -17.7680 -0.1741 -0.1741 -0.1404 -0.1404 0.1461 0.1461 13.9182 13.9182 13.9235 13.9235 15.8966 15.8966 17.5507 17.5507 k = 0.4948 0.0090 0.6124 ( 1564 PWs) bands (ev): -46.3554 -46.3554 -18.7077 -18.7077 -18.3982 -18.3982 -18.2876 -18.2876 -17.7681 -17.7681 -0.1791 -0.1791 -0.1359 -0.1359 0.1470 0.1470 13.9164 13.9164 13.9223 13.9223 15.8948 15.8948 17.5584 17.5584 k = 0.4896 0.0180 0.6124 ( 1564 PWs) bands (ev): -46.3554 -46.3554 -18.7080 -18.7080 -18.3980 -18.3980 -18.2873 -18.2873 -17.7683 -17.7683 -0.1894 -0.1894 -0.1273 -0.1273 0.1496 0.1496 13.9125 13.9125 13.9179 13.9179 15.8885 15.8885 17.5818 17.5818 k = 0.4844 0.0271 0.6124 ( 1570 PWs) bands (ev): -46.3554 -46.3554 -18.7086 -18.7086 -18.3977 -18.3977 -18.2868 -18.2868 -17.7686 -17.7686 -0.2010 -0.2010 -0.1188 -0.1188 0.1541 0.1541 13.9030 13.9030 13.9146 13.9146 15.8770 15.8770 17.6208 17.6208 k = 0.4792 0.0361 0.6124 ( 1568 PWs) bands (ev): -46.3554 -46.3554 -18.7093 -18.7093 -18.3973 -18.3973 -18.2860 -18.2860 -17.7691 -17.7691 -0.2128 -0.2128 -0.1114 -0.1114 0.1604 0.1604 13.8882 13.8882 13.9130 13.9130 15.8602 15.8602 17.6748 17.6748 k = 0.4740 0.0451 0.6124 ( 1570 PWs) bands (ev): -46.3554 -46.3554 -18.7102 -18.7102 -18.3969 -18.3969 -18.2850 -18.2850 -17.7696 -17.7696 -0.2244 -0.2244 -0.1056 -0.1056 0.1686 0.1686 13.8699 13.8699 13.9121 13.9121 15.8385 15.8385 17.7428 17.7428 k = 0.4688 0.0541 0.6124 ( 1572 PWs) bands (ev): -46.3554 -46.3554 -18.7113 -18.7113 -18.3965 -18.3965 -18.2838 -18.2838 -17.7703 -17.7703 -0.2357 -0.2357 -0.1013 -0.1013 0.1783 0.1783 13.8491 13.8491 13.9116 13.9116 15.8127 15.8127 17.8234 17.8234 k = 0.4635 0.0631 0.6124 ( 1570 PWs) bands (ev): -46.3555 -46.3555 -18.7124 -18.7124 -18.3959 -18.3959 -18.2823 -18.2823 -17.7710 -17.7710 -0.2465 -0.2465 -0.0984 -0.0984 0.1894 0.1894 13.8264 13.8264 13.9115 13.9115 15.7835 15.7835 17.9151 17.9151 k = 0.4583 0.0722 0.6124 ( 1568 PWs) bands (ev): -46.3555 -46.3555 -18.7137 -18.7137 -18.3954 -18.3954 -18.2807 -18.2807 -17.7719 -17.7719 -0.2568 -0.2568 -0.0968 -0.0968 0.2015 0.2015 13.8024 13.8024 13.9117 13.9117 15.7520 15.7520 18.0166 18.0166 k = 0.4531 0.0812 0.6124 ( 1576 PWs) bands (ev): -46.3555 -46.3555 -18.7150 -18.7150 -18.3950 -18.3950 -18.2790 -18.2790 -17.7728 -17.7728 -0.2667 -0.2667 -0.0962 -0.0962 0.2143 0.2143 13.7777 13.7777 13.9120 13.9120 15.7191 15.7191 18.1266 18.1266 k = 0.4479 0.0902 0.6124 ( 1575 PWs) bands (ev): -46.3555 -46.3555 -18.7164 -18.7164 -18.3945 -18.3945 -18.2771 -18.2771 -17.7738 -17.7738 -0.2761 -0.2761 -0.0965 -0.0965 0.2276 0.2276 13.7528 13.7528 13.9126 13.9126 15.6856 15.6856 18.2438 18.2438 k = 0.4427 0.0992 0.6124 ( 1574 PWs) bands (ev): -46.3556 -46.3556 -18.7178 -18.7178 -18.3940 -18.3940 -18.2751 -18.2751 -17.7748 -17.7748 -0.2848 -0.2848 -0.0973 -0.0973 0.2409 0.2409 13.7280 13.7280 13.9133 13.9133 15.6522 15.6522 18.3672 18.3672 k = 0.4375 0.1083 0.6124 ( 1571 PWs) bands (ev): -46.3556 -46.3556 -18.7192 -18.7192 -18.3936 -18.3936 -18.2731 -18.2731 -17.7758 -17.7758 -0.2930 -0.2930 -0.0986 -0.0986 0.2541 0.2541 13.7038 13.7038 13.9142 13.9142 15.6196 15.6196 18.4959 18.4959 k = 0.4323 0.1173 0.6124 ( 1572 PWs) bands (ev): -46.3556 -46.3556 -18.7205 -18.7205 -18.3932 -18.3932 -18.2710 -18.2710 -17.7768 -17.7768 -0.3006 -0.3006 -0.1001 -0.1001 0.2670 0.2670 13.6804 13.6804 13.9151 13.9151 15.5882 15.5882 18.6291 18.6291 k = 0.4271 0.1263 0.6124 ( 1568 PWs) bands (ev): -46.3556 -46.3556 -18.7218 -18.7218 -18.3929 -18.3929 -18.2690 -18.2690 -17.7778 -17.7778 -0.3076 -0.3076 -0.1019 -0.1019 0.2794 0.2794 13.6582 13.6582 13.9160 13.9160 15.5585 15.5585 18.7662 18.7662 k = 0.4219 0.1353 0.6124 ( 1568 PWs) bands (ev): -46.3556 -46.3556 -18.7231 -18.7231 -18.3926 -18.3926 -18.2670 -18.2670 -17.7788 -17.7788 -0.3139 -0.3139 -0.1037 -0.1037 0.2910 0.2910 13.6373 13.6373 13.9169 13.9169 15.5308 15.5308 18.9064 18.9064 k = 0.4167 0.1443 0.6124 ( 1572 PWs) bands (ev): -46.3557 -46.3557 -18.7243 -18.7243 -18.3924 -18.3924 -18.2652 -18.2652 -17.7797 -17.7797 -0.3197 -0.3197 -0.1056 -0.1056 0.3017 0.3017 13.6181 13.6181 13.9178 13.9178 15.5054 15.5054 19.0493 19.0493 k = 0.4115 0.1534 0.6124 ( 1564 PWs) bands (ev): -46.3557 -46.3557 -18.7253 -18.7253 -18.3921 -18.3921 -18.2633 -18.2633 -17.7805 -17.7805 -0.3247 -0.3247 -0.1073 -0.1073 0.3116 0.3116 13.6007 13.6007 13.9187 13.9187 15.4825 15.4825 19.1942 19.1942 k = 0.4062 0.1624 0.6124 ( 1564 PWs) bands (ev): -46.3557 -46.3557 -18.7263 -18.7263 -18.3920 -18.3920 -18.2617 -18.2617 -17.7813 -17.7813 -0.3291 -0.3291 -0.1089 -0.1089 0.3202 0.3202 13.5852 13.5852 13.9195 13.9195 15.4624 15.4624 19.3404 19.3404 k = 0.4010 0.1714 0.6124 ( 1566 PWs) bands (ev): -46.3557 -46.3557 -18.7271 -18.7271 -18.3919 -18.3919 -18.2604 -18.2604 -17.7820 -17.7820 -0.3329 -0.3329 -0.1103 -0.1103 0.3277 0.3277 13.5719 13.5719 13.9202 13.9202 15.4451 15.4451 19.4872 19.4872 k = 0.3958 0.1804 0.6124 ( 1569 PWs) bands (ev): -46.3557 -46.3557 -18.7278 -18.7278 -18.3918 -18.3918 -18.2593 -18.2593 -17.7826 -17.7826 -0.3359 -0.3359 -0.1116 -0.1116 0.3339 0.3339 13.5609 13.5609 13.9208 13.9208 15.4309 15.4309 19.6331 19.6331 k = 0.3906 0.1894 0.6124 ( 1569 PWs) bands (ev): -46.3557 -46.3557 -18.7283 -18.7283 -18.3917 -18.3917 -18.2583 -18.2583 -17.7830 -17.7830 -0.3383 -0.3383 -0.1125 -0.1125 0.3388 0.3388 13.5522 13.5522 13.9213 13.9213 15.4197 15.4197 19.7758 19.7758 k = 0.3854 0.1985 0.6124 ( 1565 PWs) bands (ev): -46.3557 -46.3557 -18.7287 -18.7287 -18.3916 -18.3916 -18.2576 -18.2576 -17.7834 -17.7834 -0.3401 -0.3401 -0.1132 -0.1132 0.3424 0.3424 13.5459 13.5459 13.9216 13.9216 15.4116 15.4116 19.9094 19.9094 k = 0.3802 0.2075 0.6124 ( 1568 PWs) bands (ev): -46.3557 -46.3557 -18.7290 -18.7290 -18.3916 -18.3916 -18.2572 -18.2572 -17.7836 -17.7836 -0.3411 -0.3411 -0.1137 -0.1137 0.3445 0.3445 13.5421 13.5421 13.9219 13.9219 15.4068 15.4068 20.0190 20.0190 k = 0.3750 0.2165 0.6124 ( 1568 PWs) bands (ev): -46.3557 -46.3557 -18.7291 -18.7291 -18.3916 -18.3916 -18.2571 -18.2571 -17.7836 -17.7836 -0.3414 -0.3414 -0.1138 -0.1138 0.3452 0.3452 13.5409 13.5409 13.9219 13.9219 15.4052 15.4052 20.0666 20.0666 k = 0.3750 0.2165 0.6124 ( 1568 PWs) bands (ev): -46.3557 -46.3557 -18.7291 -18.7291 -18.3916 -18.3916 -18.2571 -18.2571 -17.7836 -17.7836 -0.3414 -0.3414 -0.1138 -0.1138 0.3452 0.3452 13.5409 13.5409 13.9219 13.9219 15.4052 15.4052 20.0666 20.0666 k = 0.3698 0.2135 0.6039 ( 1568 PWs) bands (ev): -46.3558 -46.3558 -18.7438 -18.7438 -18.3903 -18.3903 -18.2558 -18.2558 -17.7691 -17.7691 -0.3246 -0.3246 -0.1394 -0.1394 0.3484 0.3484 13.4745 13.4745 13.9327 13.9327 15.4883 15.4883 20.1100 20.1100 k = 0.3646 0.2105 0.5954 ( 1564 PWs) bands (ev): -46.3558 -46.3558 -18.7580 -18.7580 -18.3890 -18.3890 -18.2545 -18.2545 -17.7551 -17.7551 -0.3074 -0.3074 -0.1645 -0.1645 0.3519 0.3519 13.4035 13.4035 13.9445 13.9445 15.5735 15.5735 20.1609 20.1609 k = 0.3594 0.2075 0.5869 ( 1564 PWs) bands (ev): -46.3559 -46.3559 -18.7719 -18.7719 -18.3876 -18.3876 -18.2532 -18.2532 -17.7416 -17.7416 -0.2902 -0.2902 -0.1888 -0.1888 0.3554 0.3554 13.3280 13.3280 13.9574 13.9574 15.6607 15.6607 20.2191 20.2191 k = 0.3542 0.2045 0.5784 ( 1564 PWs) bands (ev): -46.3560 -46.3560 -18.7854 -18.7854 -18.3861 -18.3861 -18.2518 -18.2518 -17.7287 -17.7287 -0.2738 -0.2738 -0.2114 -0.2114 0.3592 0.3592 13.2481 13.2481 13.9715 13.9715 15.7497 15.7497 20.2843 20.2843 k = 0.3490 0.2015 0.5698 ( 1560 PWs) bands (ev): -46.3561 -46.3561 -18.7983 -18.7983 -18.3845 -18.3845 -18.2505 -18.2505 -17.7163 -17.7163 -0.2625 -0.2625 -0.2277 -0.2277 0.3630 0.3630 13.1640 13.1640 13.9867 13.9867 15.8405 15.8405 20.3563 20.3563 k = 0.3438 0.1985 0.5613 ( 1560 PWs) bands (ev): -46.3561 -46.3561 -18.8108 -18.8108 -18.3829 -18.3829 -18.2491 -18.2491 -17.7046 -17.7046 -0.2705 -0.2705 -0.2236 -0.2236 0.3671 0.3671 13.0760 13.0760 14.0032 14.0032 15.9330 15.9330 20.4348 20.4348 k = 0.3385 0.1955 0.5528 ( 1568 PWs) bands (ev): -46.3563 -46.3563 -18.8230 -18.8230 -18.3814 -18.3814 -18.2478 -18.2478 -17.6935 -17.6935 -0.2895 -0.2895 -0.2074 -0.2074 0.3713 0.3713 12.9842 12.9842 14.0211 14.0211 16.0272 16.0272 20.5193 20.5193 k = 0.3333 0.1925 0.5443 ( 1568 PWs) bands (ev): -46.3564 -46.3564 -18.8345 -18.8345 -18.3797 -18.3797 -18.2464 -18.2464 -17.6830 -17.6830 -0.3098 -0.3098 -0.1886 -0.1886 0.3756 0.3756 12.8889 12.8889 14.0404 14.0404 16.1228 16.1228 20.6094 20.6094 k = 0.3281 0.1894 0.5358 ( 1566 PWs) bands (ev): -46.3565 -46.3565 -18.8455 -18.8455 -18.3779 -18.3779 -18.2449 -18.2449 -17.6731 -17.6731 -0.3296 -0.3296 -0.1689 -0.1689 0.3801 0.3801 12.7903 12.7903 14.0612 14.0612 16.2200 16.2200 20.7033 20.7033 k = 0.3229 0.1864 0.5273 ( 1558 PWs) bands (ev): -46.3566 -46.3566 -18.8559 -18.8559 -18.3761 -18.3761 -18.2434 -18.2434 -17.6638 -17.6638 -0.3486 -0.3486 -0.1486 -0.1486 0.3848 0.3848 12.6887 12.6887 14.0835 14.0835 16.3184 16.3184 20.7305 20.7305 k = 0.3177 0.1834 0.5188 ( 1558 PWs) bands (ev): -46.3567 -46.3567 -18.8658 -18.8658 -18.3743 -18.3743 -18.2420 -18.2420 -17.6553 -17.6553 -0.3665 -0.3665 -0.1280 -0.1280 0.3897 0.3897 12.5844 12.5844 14.1075 14.1075 16.4182 16.4182 20.7550 20.7550 k = 0.3125 0.1804 0.5103 ( 1558 PWs) bands (ev): -46.3569 -46.3569 -18.8751 -18.8751 -18.3725 -18.3725 -18.2406 -18.2406 -17.6474 -17.6474 -0.3832 -0.3832 -0.1071 -0.1071 0.3947 0.3947 12.4775 12.4775 14.1332 14.1332 16.5191 16.5191 20.7808 20.7808 k = 0.3073 0.1774 0.5018 ( 1556 PWs) bands (ev): -46.3570 -46.3570 -18.8839 -18.8839 -18.3706 -18.3706 -18.2391 -18.2391 -17.6403 -17.6403 -0.3985 -0.3985 -0.0860 -0.0860 0.3998 0.3998 12.3683 12.3683 14.1606 14.1606 16.6211 16.6211 20.8081 20.8081 k = 0.3021 0.1744 0.4933 ( 1564 PWs) bands (ev): -46.3572 -46.3572 -18.8921 -18.8921 -18.3689 -18.3689 -18.2378 -18.2378 -17.6339 -17.6339 -0.4126 -0.4126 -0.0647 -0.0647 0.4050 0.4050 12.2570 12.2570 14.1900 14.1900 16.7240 16.7240 20.8368 20.8368 k = 0.2969 0.1714 0.4848 ( 1564 PWs) bands (ev): -46.3574 -46.3574 -18.8997 -18.8997 -18.3670 -18.3670 -18.2364 -18.2364 -17.6282 -17.6282 -0.4251 -0.4251 -0.0433 -0.0433 0.4105 0.4105 12.1439 12.1439 14.2212 14.2212 16.8278 16.8278 20.8671 20.8671 k = 0.2917 0.1684 0.4763 ( 1558 PWs) bands (ev): -46.3576 -46.3576 -18.9067 -18.9067 -18.3651 -18.3651 -18.2349 -18.2349 -17.6231 -17.6231 -0.4361 -0.4361 -0.0217 -0.0217 0.4161 0.4161 12.0291 12.0291 14.2544 14.2544 16.9324 16.9324 20.8989 20.8989 k = 0.2865 0.1654 0.4678 ( 1558 PWs) bands (ev): -46.3578 -46.3578 -18.9131 -18.9131 -18.3633 -18.3633 -18.2334 -18.2334 -17.6188 -17.6188 -0.4456 -0.4456 -0.0001 -0.0001 0.4218 0.4218 11.9128 11.9128 14.2898 14.2898 17.0376 17.0376 20.9323 20.9323 k = 0.2812 0.1624 0.4593 ( 1558 PWs) bands (ev): -46.3580 -46.3580 -18.9188 -18.9188 -18.3615 -18.3615 -18.2320 -18.2320 -17.6153 -17.6153 -0.4534 -0.4534 0.0216 0.0216 0.4277 0.4277 11.7953 11.7953 14.3272 14.3272 17.1433 17.1433 20.9673 20.9673 k = 0.2760 0.1594 0.4508 ( 1558 PWs) bands (ev): -46.3582 -46.3582 -18.9239 -18.9239 -18.3597 -18.3597 -18.2306 -18.2306 -17.6125 -17.6125 -0.4596 -0.4596 0.0433 0.0433 0.4337 0.4337 11.6767 11.6767 14.3669 14.3669 17.2493 17.2493 21.0039 21.0039 k = 0.2708 0.1564 0.4423 ( 1558 PWs) bands (ev): -46.3584 -46.3584 -18.9284 -18.9284 -18.3578 -18.3578 -18.2293 -18.2293 -17.6105 -17.6105 -0.4640 -0.4640 0.0650 0.0650 0.4398 0.4398 11.5571 11.5571 14.4088 14.4088 17.3556 17.3556 21.0423 21.0423 k = 0.2656 0.1534 0.4338 ( 1558 PWs) bands (ev): -46.3587 -46.3587 -18.9322 -18.9322 -18.3561 -18.3561 -18.2279 -18.2279 -17.6092 -17.6092 -0.4667 -0.4667 0.0866 0.0866 0.4461 0.4461 11.4368 11.4368 14.4531 14.4531 17.4619 17.4619 21.0824 21.0824 k = 0.2604 0.1504 0.4253 ( 1558 PWs) bands (ev): -46.3589 -46.3589 -18.9355 -18.9355 -18.3543 -18.3543 -18.2266 -18.2266 -17.6087 -17.6087 -0.4677 -0.4677 0.1082 0.1082 0.4524 0.4524 11.3159 11.3159 14.4998 14.4998 17.5682 17.5682 21.1242 21.1242 k = 0.2552 0.1473 0.4168 ( 1558 PWs) bands (ev): -46.3592 -46.3592 -18.9380 -18.9380 -18.3525 -18.3525 -18.2252 -18.2252 -17.6089 -17.6089 -0.4668 -0.4668 0.1296 0.1296 0.4589 0.4589 11.1945 11.1945 14.5490 14.5490 17.6742 17.6742 21.1679 21.1679 k = 0.2500 0.1443 0.4082 ( 1554 PWs) bands (ev): -46.3595 -46.3595 -18.9399 -18.9399 -18.3507 -18.3507 -18.2239 -18.2239 -17.6099 -17.6099 -0.4642 -0.4642 0.1510 0.1510 0.4655 0.4655 11.0728 11.0728 14.6008 14.6008 17.7798 17.7798 21.2134 21.2134 k = 0.2448 0.1413 0.3997 ( 1560 PWs) bands (ev): -46.3598 -46.3598 -18.9413 -18.9413 -18.3491 -18.3491 -18.2226 -18.2226 -17.6117 -17.6117 -0.4598 -0.4598 0.1721 0.1721 0.4722 0.4722 10.9509 10.9509 14.6552 14.6552 17.8847 17.8847 21.2607 21.2607 k = 0.2396 0.1383 0.3912 ( 1560 PWs) bands (ev): -46.3600 -46.3600 -18.9419 -18.9419 -18.3474 -18.3474 -18.2213 -18.2213 -17.6142 -17.6142 -0.4535 -0.4535 0.1931 0.1931 0.4790 0.4790 10.8289 10.8289 14.7122 14.7122 17.9889 17.9889 21.3099 21.3099 k = 0.2344 0.1353 0.3827 ( 1560 PWs) bands (ev): -46.3603 -46.3603 -18.9419 -18.9419 -18.3457 -18.3457 -18.2201 -18.2201 -17.6175 -17.6175 -0.4454 -0.4454 0.2139 0.2139 0.4858 0.4858 10.7069 10.7069 14.7720 14.7720 18.0921 18.0921 21.3610 21.3610 k = 0.2292 0.1323 0.3742 ( 1560 PWs) bands (ev): -46.3607 -46.3607 -18.9412 -18.9412 -18.3441 -18.3441 -18.2188 -18.2188 -17.6215 -17.6215 -0.4354 -0.4354 0.2344 0.2344 0.4928 0.4928 10.5851 10.5851 14.8346 14.8346 18.1941 18.1941 21.4140 21.4140 k = 0.2240 0.1293 0.3657 ( 1560 PWs) bands (ev): -46.3610 -46.3610 -18.9399 -18.9399 -18.3426 -18.3426 -18.2176 -18.2176 -17.6262 -17.6262 -0.4237 -0.4237 0.2546 0.2546 0.4998 0.4998 10.4636 10.4636 14.9000 14.9000 18.2946 18.2946 21.4690 21.4690 k = 0.2188 0.1263 0.3572 ( 1556 PWs) bands (ev): -46.3613 -46.3613 -18.9379 -18.9379 -18.3410 -18.3410 -18.2164 -18.2164 -17.6317 -17.6317 -0.4102 -0.4102 0.2746 0.2746 0.5069 0.5069 10.3424 10.3424 14.9683 14.9683 18.3935 18.3935 21.5259 21.5259 k = 0.2135 0.1233 0.3487 ( 1554 PWs) bands (ev): -46.3616 -46.3616 -18.9352 -18.9352 -18.3395 -18.3395 -18.2153 -18.2153 -17.6379 -17.6379 -0.3948 -0.3948 0.2942 0.2942 0.5140 0.5140 10.2216 10.2216 15.0396 15.0396 18.4905 18.4905 21.5848 21.5848 k = 0.2083 0.1203 0.3402 ( 1558 PWs) bands (ev): -46.3619 -46.3619 -18.9320 -18.9320 -18.3381 -18.3381 -18.2142 -18.2142 -17.6448 -17.6448 -0.3778 -0.3778 0.3135 0.3135 0.5212 0.5212 10.1014 10.1014 15.1138 15.1138 18.5853 18.5853 21.6457 21.6457 k = 0.2031 0.1173 0.3317 ( 1554 PWs) bands (ev): -46.3623 -46.3623 -18.9280 -18.9280 -18.3366 -18.3366 -18.2130 -18.2130 -17.6524 -17.6524 -0.3590 -0.3590 0.3325 0.3325 0.5284 0.5284 9.9819 9.9819 15.1911 15.1911 18.6778 18.6778 21.7085 21.7085 k = 0.1979 0.1143 0.3232 ( 1554 PWs) bands (ev): -46.3626 -46.3626 -18.9234 -18.9234 -18.3353 -18.3353 -18.2120 -18.2120 -17.6607 -17.6607 -0.3386 -0.3386 0.3511 0.3511 0.5357 0.5357 9.8631 9.8631 15.2714 15.2714 18.7676 18.7676 21.7734 21.7734 k = 0.1927 0.1113 0.3147 ( 1554 PWs) bands (ev): -46.3630 -46.3630 -18.9182 -18.9182 -18.3340 -18.3340 -18.2109 -18.2109 -17.6697 -17.6697 -0.3165 -0.3165 0.3693 0.3693 0.5429 0.5429 9.7452 9.7452 15.3549 15.3549 18.8546 18.8546 21.7648 21.7648 k = 0.1875 0.1083 0.3062 ( 1554 PWs) bands (ev): -46.3633 -46.3633 -18.9124 -18.9124 -18.3327 -18.3327 -18.2099 -18.2099 -17.6794 -17.6794 -0.2929 -0.2929 0.3870 0.3870 0.5502 0.5502 9.6282 9.6282 15.4414 15.4414 18.9384 18.9384 21.6554 21.6554 k = 0.1823 0.1052 0.2977 ( 1554 PWs) bands (ev): -46.3637 -46.3637 -18.9060 -18.9060 -18.3315 -18.3315 -18.2089 -18.2089 -17.6897 -17.6897 -0.2677 -0.2677 0.4044 0.4044 0.5575 0.5575 9.5122 9.5122 15.5312 15.5312 19.0189 19.0189 21.5490 21.5490 k = 0.1771 0.1022 0.2892 ( 1558 PWs) bands (ev): -46.3641 -46.3641 -18.8989 -18.8989 -18.3304 -18.3304 -18.2080 -18.2080 -17.7007 -17.7007 -0.2411 -0.2411 0.4213 0.4213 0.5647 0.5647 9.3973 9.3973 15.6241 15.6241 19.0958 19.0958 21.4455 21.4455 k = 0.1719 0.0992 0.2807 ( 1558 PWs) bands (ev): -46.3644 -46.3644 -18.8912 -18.8912 -18.3293 -18.3293 -18.2070 -18.2070 -17.7123 -17.7123 -0.2131 -0.2131 0.4377 0.4377 0.5720 0.5720 9.2836 9.2836 15.7202 15.7202 19.1689 19.1689 21.3450 21.3450 k = 0.1667 0.0962 0.2722 ( 1558 PWs) bands (ev): -46.3648 -46.3648 -18.8829 -18.8829 -18.3282 -18.3282 -18.2061 -18.2061 -17.7244 -17.7244 -0.1837 -0.1837 0.4537 0.4537 0.5792 0.5792 9.1712 9.1712 15.8196 15.8196 19.2379 19.2379 21.2476 21.2476 k = 0.1615 0.0932 0.2637 ( 1558 PWs) bands (ev): -46.3651 -46.3651 -18.8741 -18.8741 -18.3272 -18.3272 -18.2052 -18.2052 -17.7372 -17.7372 -0.1531 -0.1531 0.4692 0.4692 0.5864 0.5864 9.0603 9.0603 15.9221 15.9221 19.3027 19.3027 21.1531 21.1531 k = 0.1562 0.0902 0.2552 ( 1558 PWs) bands (ev): -46.3655 -46.3655 -18.8646 -18.8646 -18.3263 -18.3263 -18.2044 -18.2044 -17.7505 -17.7505 -0.1213 -0.1213 0.4842 0.4842 0.5936 0.5936 8.9508 8.9508 16.0279 16.0279 19.3632 19.3632 21.0616 21.0616 k = 0.1510 0.0872 0.2467 ( 1558 PWs) bands (ev): -46.3659 -46.3659 -18.8546 -18.8546 -18.3254 -18.3254 -18.2036 -18.2036 -17.7644 -17.7644 -0.0885 -0.0885 0.4986 0.4986 0.6006 0.6006 8.8429 8.8429 16.1368 16.1368 19.4191 19.4191 20.9731 20.9731 k = 0.1458 0.0842 0.2381 ( 1558 PWs) bands (ev): -46.3662 -46.3662 -18.8440 -18.8440 -18.3246 -18.3246 -18.2028 -18.2028 -17.7787 -17.7787 -0.0547 -0.0547 0.5126 0.5126 0.6077 0.6077 8.7367 8.7367 16.2490 16.2490 19.4705 19.4705 20.8876 20.8876 k = 0.1406 0.0812 0.2296 ( 1554 PWs) bands (ev): -46.3666 -46.3666 -18.8328 -18.8328 -18.3238 -18.3238 -18.2020 -18.2020 -17.7935 -17.7935 -0.0201 -0.0201 0.5261 0.5261 0.6146 0.6146 8.6324 8.6324 16.3644 16.3644 19.5173 19.5173 20.8051 20.8051 k = 0.1354 0.0782 0.2211 ( 1554 PWs) bands (ev): -46.3669 -46.3669 -18.8212 -18.8212 -18.3231 -18.3231 -18.2013 -18.2013 -17.8089 -17.8089 0.0153 0.0153 0.5390 0.5390 0.6215 0.6215 8.5299 8.5299 16.4829 16.4829 19.5594 19.5594 20.7255 20.7255 k = 0.1302 0.0752 0.2126 ( 1552 PWs) bands (ev): -46.3673 -46.3673 -18.8090 -18.8090 -18.3225 -18.3225 -18.2006 -18.2006 -17.8246 -17.8246 0.0514 0.0514 0.5514 0.5514 0.6283 0.6283 8.4295 8.4295 16.6045 16.6045 19.5970 19.5970 20.6490 20.6490 k = 0.1250 0.0722 0.2041 ( 1552 PWs) bands (ev): -46.3676 -46.3676 -18.7963 -18.7963 -18.3220 -18.3220 -18.1999 -18.1999 -17.8408 -17.8408 0.0879 0.0879 0.5632 0.5632 0.6350 0.6350 8.3313 8.3313 16.7292 16.7292 19.6300 19.6300 20.5755 20.5755 k = 0.1198 0.0692 0.1956 ( 1552 PWs) bands (ev): -46.3679 -46.3679 -18.7831 -18.7831 -18.3215 -18.3215 -18.1992 -18.1992 -17.8573 -17.8573 0.1247 0.1247 0.5745 0.5745 0.6415 0.6415 8.2353 8.2353 16.8569 16.8569 19.6586 19.6586 20.5049 20.5049 k = 0.1146 0.0662 0.1871 ( 1550 PWs) bands (ev): -46.3683 -46.3683 -18.7695 -18.7695 -18.3210 -18.3210 -18.1986 -18.1986 -17.8742 -17.8742 0.1618 0.1618 0.5853 0.5853 0.6480 0.6480 8.1418 8.1418 16.9875 16.9875 19.6830 19.6830 20.4374 20.4374 k = 0.1094 0.0631 0.1786 ( 1550 PWs) bands (ev): -46.3686 -46.3686 -18.7554 -18.7554 -18.3207 -18.3207 -18.1980 -18.1980 -17.8915 -17.8915 0.1990 0.1990 0.5955 0.5955 0.6543 0.6543 8.0508 8.0508 17.1209 17.1209 19.7034 19.7034 20.3729 20.3729 k = 0.1042 0.0601 0.1701 ( 1550 PWs) bands (ev): -46.3689 -46.3689 -18.7409 -18.7409 -18.3205 -18.3205 -18.1974 -18.1974 -17.9090 -17.9090 0.2361 0.2361 0.6051 0.6051 0.6605 0.6605 7.9625 7.9625 17.2571 17.2571 19.7200 19.7200 20.3113 20.3113 k = 0.0990 0.0571 0.1616 ( 1546 PWs) bands (ev): -46.3692 -46.3692 -18.7259 -18.7259 -18.3203 -18.3203 -18.1969 -18.1969 -17.9267 -17.9267 0.2729 0.2729 0.6143 0.6143 0.6665 0.6665 7.8770 7.8770 17.3958 17.3958 19.7331 19.7331 20.2528 20.2528 k = 0.0938 0.0541 0.1531 ( 1546 PWs) bands (ev): -46.3695 -46.3695 -18.7106 -18.7106 -18.3203 -18.3203 -18.1964 -18.1964 -17.9447 -17.9447 0.3093 0.3093 0.6229 0.6229 0.6724 0.6724 7.7945 7.7945 17.5369 17.5369 19.7430 19.7430 20.1972 20.1972 k = 0.0885 0.0511 0.1446 ( 1546 PWs) bands (ev): -46.3697 -46.3697 -18.6949 -18.6949 -18.3204 -18.3204 -18.1959 -18.1959 -17.9628 -17.9628 0.3451 0.3451 0.6310 0.6310 0.6780 0.6780 7.7152 7.7152 17.6803 17.6803 19.7499 19.7499 20.1447 20.1447 k = 0.0833 0.0481 0.1361 ( 1544 PWs) bands (ev): -46.3700 -46.3700 -18.6788 -18.6788 -18.3206 -18.3206 -18.1955 -18.1955 -17.9810 -17.9810 0.3802 0.3802 0.6387 0.6387 0.6835 0.6835 7.6391 7.6391 17.8256 17.8256 19.7543 19.7543 20.0951 20.0951 k = 0.0781 0.0451 0.1276 ( 1544 PWs) bands (ev): -46.3703 -46.3703 -18.6625 -18.6625 -18.3210 -18.3210 -18.1950 -18.1950 -17.9993 -17.9993 0.4142 0.4142 0.6459 0.6459 0.6888 0.6888 7.5665 7.5665 17.9726 17.9726 19.7565 19.7565 20.0486 20.0486 k = 0.0729 0.0421 0.1191 ( 1548 PWs) bands (ev): -46.3705 -46.3705 -18.6459 -18.6459 -18.3216 -18.3216 -18.1947 -18.1947 -18.0176 -18.0176 0.4471 0.4471 0.6526 0.6526 0.6938 0.6938 7.4976 7.4976 18.1210 18.1210 19.7567 19.7567 20.0050 20.0050 k = 0.0677 0.0391 0.1106 ( 1540 PWs) bands (ev): -46.3707 -46.3707 -18.6290 -18.6290 -18.3222 -18.3222 -18.1942 -18.1942 -18.0357 -18.0357 0.4786 0.4786 0.6590 0.6590 0.6986 0.6986 7.4324 7.4324 18.2703 18.2703 19.7553 19.7553 19.9645 19.9645 k = 0.0625 0.0361 0.1021 ( 1532 PWs) bands (ev): -46.3709 -46.3709 -18.6119 -18.6119 -18.3232 -18.3232 -18.1937 -18.1937 -18.0537 -18.0537 0.5084 0.5084 0.6652 0.6652 0.7032 0.7032 7.3712 7.3712 18.4199 18.4199 19.7527 19.7527 19.9270 19.9270 k = 0.0573 0.0331 0.0936 ( 1532 PWs) bands (ev): -46.3711 -46.3711 -18.5947 -18.5947 -18.3245 -18.3245 -18.1934 -18.1934 -18.0714 -18.0714 0.5364 0.5364 0.6710 0.6710 0.7074 0.7074 7.3142 7.3142 18.5692 18.5692 19.7490 19.7490 19.8924 19.8924 k = 0.0521 0.0301 0.0851 ( 1532 PWs) bands (ev): -46.3713 -46.3713 -18.5774 -18.5774 -18.3263 -18.3263 -18.1931 -18.1931 -18.0887 -18.0887 0.5623 0.5623 0.6767 0.6767 0.7112 0.7112 7.2614 7.2614 18.7173 18.7173 19.7447 19.7447 19.8609 19.8609 k = 0.0469 0.0271 0.0765 ( 1530 PWs) bands (ev): -46.3715 -46.3715 -18.5600 -18.5600 -18.3285 -18.3285 -18.1929 -18.1929 -18.1054 -18.1054 0.5857 0.5857 0.6824 0.6824 0.7148 0.7148 7.2131 7.2131 18.8632 18.8632 19.7400 19.7400 19.8324 19.8324 k = 0.0417 0.0241 0.0680 ( 1530 PWs) bands (ev): -46.3716 -46.3716 -18.5427 -18.5427 -18.3312 -18.3312 -18.1926 -18.1926 -18.1213 -18.1213 0.6064 0.6064 0.6882 0.6882 0.7181 0.7181 7.1694 7.1694 19.0056 19.0056 19.7351 19.7351 19.8068 19.8068 k = 0.0365 0.0210 0.0595 ( 1527 PWs) bands (ev): -46.3717 -46.3717 -18.5256 -18.5256 -18.3347 -18.3347 -18.1924 -18.1924 -18.1362 -18.1362 0.6240 0.6240 0.6945 0.6945 0.7209 0.7209 7.1304 7.1304 19.1427 19.1427 19.7302 19.7302 19.7843 19.7843 k = 0.0312 0.0180 0.0510 ( 1519 PWs) bands (ev): -46.3718 -46.3718 -18.5087 -18.5087 -18.3388 -18.3388 -18.1921 -18.1921 -18.1499 -18.1499 0.6383 0.6383 0.7012 0.7012 0.7235 0.7235 7.0964 7.0964 19.2723 19.2723 19.7256 19.7256 19.7648 19.7648 k = 0.0260 0.0150 0.0425 ( 1515 PWs) bands (ev): -46.3719 -46.3719 -18.4923 -18.4923 -18.3439 -18.3439 -18.1919 -18.1919 -18.1620 -18.1620 0.6492 0.6492 0.7083 0.7083 0.7257 0.7257 7.0674 7.0674 19.3917 19.3917 19.7213 19.7213 19.7483 19.7483 k = 0.0208 0.0120 0.0340 ( 1509 PWs) bands (ev): -46.3720 -46.3720 -18.4767 -18.4767 -18.3498 -18.3498 -18.1917 -18.1917 -18.1723 -18.1723 0.6571 0.6571 0.7153 0.7153 0.7274 0.7274 7.0435 7.0435 19.4977 19.4977 19.7177 19.7177 19.7348 19.7348 k = 0.0156 0.0090 0.0255 ( 1497 PWs) bands (ev): -46.3720 -46.3720 -18.4623 -18.4623 -18.3563 -18.3563 -18.1915 -18.1915 -18.1806 -18.1806 0.6626 0.6626 0.7215 0.7215 0.7289 0.7289 7.0248 7.0248 19.5865 19.5865 19.7147 19.7147 19.7243 19.7243 k = 0.0104 0.0060 0.0170 ( 1483 PWs) bands (ev): -46.3720 -46.3720 -18.4500 -18.4500 -18.3628 -18.3628 -18.1913 -18.1913 -18.1865 -18.1865 0.6662 0.6662 0.7265 0.7265 0.7299 0.7299 7.0114 7.0114 19.6540 19.6540 19.7125 19.7125 19.7168 19.7168 k = 0.0052 0.0030 0.0085 ( 1471 PWs) bands (ev): -46.3720 -46.3720 -18.4412 -18.4412 -18.3680 -18.3680 -18.1912 -18.1912 -18.1900 -18.1900 0.6682 0.6682 0.7297 0.7297 0.7305 0.7305 7.0033 7.0033 19.6963 19.6963 19.7112 19.7112 19.7123 19.7123 k = 0.0000 0.0000 0.0000 ( 1471 PWs) bands (ev): -46.3720 -46.3720 -18.4379 -18.4379 -18.3702 -18.3702 -18.1912 -18.1912 -18.1912 -18.1912 0.6688 0.6688 0.7307 0.7307 0.7307 0.7307 7.0006 7.0006 19.7108 19.7108 19.7108 19.7108 19.7108 19.7108 k = 0.0000 0.0000 0.0000 ( 1471 PWs) bands (ev): -46.3720 -46.3720 -18.4379 -18.4379 -18.3702 -18.3702 -18.1912 -18.1912 -18.1912 -18.1912 0.6688 0.6688 0.7307 0.7307 0.7307 0.7307 7.0006 7.0006 19.7108 19.7108 19.7108 19.7108 19.7108 19.7108 k = 0.0085 0.0049 0.0035 ( 1471 PWs) bands (ev): -46.3720 -46.3720 -18.4412 -18.4412 -18.3680 -18.3680 -18.1912 -18.1912 -18.1900 -18.1900 0.6682 0.6682 0.7296 0.7296 0.7305 0.7305 7.0033 7.0033 19.6961 19.6961 19.7119 19.7119 19.7119 19.7119 k = 0.0169 0.0098 0.0069 ( 1480 PWs) bands (ev): -46.3720 -46.3720 -18.4499 -18.4499 -18.3628 -18.3628 -18.1913 -18.1913 -18.1865 -18.1865 0.6662 0.6662 0.7265 0.7265 0.7300 0.7300 7.0113 7.0113 19.6530 19.6530 19.7153 19.7153 19.7153 19.7153 k = 0.0254 0.0147 0.0104 ( 1498 PWs) bands (ev): -46.3720 -46.3720 -18.4622 -18.4622 -18.3564 -18.3564 -18.1915 -18.1915 -18.1807 -18.1807 0.6626 0.6626 0.7215 0.7215 0.7290 0.7290 7.0246 7.0246 19.5844 19.5844 19.7210 19.7210 19.7210 19.7210 k = 0.0339 0.0196 0.0138 ( 1510 PWs) bands (ev): -46.3720 -46.3720 -18.4766 -18.4766 -18.3499 -18.3499 -18.1917 -18.1917 -18.1725 -18.1725 0.6571 0.6571 0.7153 0.7153 0.7277 0.7277 7.0431 7.0431 19.4941 19.4941 19.7289 19.7289 19.7290 19.7290 k = 0.0424 0.0245 0.0173 ( 1522 PWs) bands (ev): -46.3719 -46.3719 -18.4922 -18.4922 -18.3440 -18.3440 -18.1919 -18.1919 -18.1624 -18.1624 0.6490 0.6490 0.7083 0.7083 0.7260 0.7260 7.0669 7.0669 19.3862 19.3862 19.7390 19.7390 19.7392 19.7392 k = 0.0508 0.0294 0.0208 ( 1522 PWs) bands (ev): -46.3718 -46.3718 -18.5086 -18.5086 -18.3388 -18.3388 -18.1920 -18.1920 -18.1502 -18.1502 0.6379 0.6379 0.7015 0.7015 0.7240 0.7240 7.0957 7.0957 19.2645 19.2645 19.7514 19.7514 19.7516 19.7516 k = 0.0593 0.0342 0.0242 ( 1525 PWs) bands (ev): -46.3717 -46.3717 -18.5256 -18.5256 -18.3345 -18.3345 -18.1921 -18.1921 -18.1366 -18.1366 0.6233 0.6233 0.6951 0.6951 0.7217 0.7217 7.1295 7.1295 19.1323 19.1323 19.7658 19.7658 19.7662 19.7662 k = 0.0678 0.0391 0.0277 ( 1525 PWs) bands (ev): -46.3716 -46.3716 -18.5429 -18.5429 -18.3309 -18.3309 -18.1922 -18.1922 -18.1217 -18.1217 0.6052 0.6052 0.6893 0.6893 0.7190 0.7190 7.1682 7.1682 18.9924 18.9924 19.7824 19.7824 19.7829 19.7829 k = 0.0763 0.0440 0.0311 ( 1525 PWs) bands (ev): -46.3714 -46.3714 -18.5605 -18.5605 -18.3280 -18.3280 -18.1924 -18.1924 -18.1057 -18.1057 0.5840 0.5840 0.6839 0.6839 0.7160 0.7160 7.2115 7.2115 18.8468 18.8468 19.8010 19.8010 19.8016 19.8016 k = 0.0847 0.0489 0.0346 ( 1528 PWs) bands (ev): -46.3713 -46.3713 -18.5781 -18.5781 -18.3258 -18.3258 -18.1926 -18.1926 -18.0889 -18.0889 0.5598 0.5598 0.6789 0.6789 0.7127 0.7127 7.2594 7.2594 18.6972 18.6972 19.8216 19.8216 19.8223 19.8223 k = 0.0932 0.0538 0.0381 ( 1534 PWs) bands (ev): -46.3711 -46.3711 -18.5958 -18.5958 -18.3240 -18.3240 -18.1928 -18.1928 -18.0715 -18.0715 0.5330 0.5330 0.6739 0.6739 0.7090 0.7090 7.3118 7.3118 18.5451 18.5451 19.8441 19.8441 19.8449 19.8449 k = 0.1017 0.0587 0.0415 ( 1534 PWs) bands (ev): -46.3709 -46.3709 -18.6135 -18.6135 -18.3224 -18.3224 -18.1930 -18.1930 -18.0535 -18.0535 0.5040 0.5040 0.6690 0.6690 0.7051 0.7051 7.3683 7.3683 18.3914 18.3914 19.8684 19.8684 19.8694 19.8694 k = 0.1102 0.0636 0.0450 ( 1534 PWs) bands (ev): -46.3707 -46.3707 -18.6312 -18.6312 -18.3212 -18.3212 -18.1932 -18.1932 -18.0352 -18.0352 0.4728 0.4728 0.6641 0.6641 0.7008 0.7008 7.4290 7.4290 18.2369 18.2369 19.8944 19.8944 19.8956 19.8956 k = 0.1186 0.0685 0.0484 ( 1534 PWs) bands (ev): -46.3705 -46.3705 -18.6487 -18.6487 -18.3203 -18.3203 -18.1934 -18.1934 -18.0166 -18.0166 0.4399 0.4399 0.6590 0.6590 0.6963 0.6963 7.4935 7.4935 18.0823 18.0823 19.9220 19.9220 19.9234 19.9234 k = 0.1271 0.0734 0.0519 ( 1534 PWs) bands (ev): -46.3703 -46.3703 -18.6661 -18.6661 -18.3195 -18.3195 -18.1937 -18.1937 -17.9978 -17.9978 0.4053 0.4053 0.6538 0.6538 0.6916 0.6916 7.5617 7.5617 17.9281 17.9281 19.9512 19.9512 19.9528 19.9528 k = 0.1356 0.0783 0.0554 ( 1534 PWs) bands (ev): -46.3700 -46.3700 -18.6834 -18.6834 -18.3189 -18.3189 -18.1939 -18.1939 -17.9790 -17.9790 0.3693 0.3693 0.6485 0.6485 0.6866 0.6866 7.6335 7.6335 17.7746 17.7746 19.9817 19.9817 19.9836 19.9836 k = 0.1441 0.0832 0.0588 ( 1537 PWs) bands (ev): -46.3697 -46.3697 -18.7004 -18.7004 -18.3184 -18.3184 -18.1941 -18.1941 -17.9601 -17.9601 0.3320 0.3320 0.6430 0.6430 0.6813 0.6813 7.7086 7.7086 17.6222 17.6222 20.0135 20.0135 20.0156 20.0156 k = 0.1525 0.0881 0.0623 ( 1537 PWs) bands (ev): -46.3695 -46.3695 -18.7173 -18.7173 -18.3181 -18.3181 -18.1944 -18.1944 -17.9411 -17.9411 0.2936 0.2936 0.6373 0.6373 0.6759 0.6759 7.7868 7.7868 17.4711 17.4711 20.0464 20.0464 20.0488 20.0488 k = 0.1610 0.0930 0.0657 ( 1537 PWs) bands (ev): -46.3692 -46.3692 -18.7339 -18.7339 -18.3178 -18.3178 -18.1947 -18.1947 -17.9222 -17.9222 0.2543 0.2543 0.6315 0.6315 0.6702 0.6702 7.8681 7.8681 17.3216 17.3216 20.0803 20.0803 20.0830 20.0830 k = 0.1695 0.0979 0.0692 ( 1537 PWs) bands (ev): -46.3689 -46.3689 -18.7503 -18.7503 -18.3176 -18.3176 -18.1950 -18.1950 -17.9034 -17.9034 0.2142 0.2142 0.6255 0.6255 0.6644 0.6644 7.9522 7.9522 17.1737 17.1737 20.1150 20.1150 20.1180 20.1180 k = 0.1780 0.1027 0.0727 ( 1543 PWs) bands (ev): -46.3686 -46.3686 -18.7664 -18.7664 -18.3175 -18.3175 -18.1953 -18.1953 -17.8848 -17.8848 0.1735 0.1735 0.6194 0.6194 0.6584 0.6584 8.0389 8.0389 17.0277 17.0277 20.1504 20.1504 20.1537 20.1537 k = 0.1864 0.1076 0.0761 ( 1543 PWs) bands (ev): -46.3683 -46.3683 -18.7822 -18.7822 -18.3175 -18.3175 -18.1956 -18.1956 -17.8662 -17.8662 0.1323 0.1323 0.6131 0.6131 0.6522 0.6522 8.1281 8.1281 16.8835 16.8835 20.1862 20.1862 20.1899 20.1899 k = 0.1949 0.1125 0.0796 ( 1540 PWs) bands (ev): -46.3680 -46.3680 -18.7977 -18.7977 -18.3174 -18.3174 -18.1959 -18.1959 -17.8478 -17.8478 0.0908 0.0908 0.6068 0.6068 0.6459 0.6459 8.2196 8.2196 16.7412 16.7412 20.2223 20.2223 20.2264 20.2264 k = 0.2034 0.1174 0.0830 ( 1540 PWs) bands (ev): -46.3676 -46.3676 -18.8129 -18.8129 -18.3175 -18.3175 -18.1962 -18.1962 -17.8296 -17.8296 0.0491 0.0491 0.6003 0.6003 0.6395 0.6395 8.3132 8.3132 16.6009 16.6009 20.2586 20.2586 20.2630 20.2630 k = 0.2119 0.1223 0.0865 ( 1540 PWs) bands (ev): -46.3673 -46.3673 -18.8278 -18.8278 -18.3175 -18.3175 -18.1965 -18.1965 -17.8117 -17.8117 0.0074 0.0074 0.5938 0.5938 0.6330 0.6330 8.4089 8.4089 16.4626 16.4626 20.2947 20.2947 20.2996 20.2996 k = 0.2203 0.1272 0.0900 ( 1540 PWs) bands (ev): -46.3670 -46.3670 -18.8424 -18.8424 -18.3176 -18.3176 -18.1968 -18.1968 -17.7940 -17.7940 -0.0344 -0.0344 0.5872 0.5872 0.6265 0.6265 8.5063 8.5063 16.3264 16.3264 20.3306 20.3306 20.3359 20.3359 k = 0.2288 0.1321 0.0934 ( 1546 PWs) bands (ev): -46.3667 -46.3667 -18.8567 -18.8567 -18.3178 -18.3178 -18.1971 -18.1971 -17.7766 -17.7766 -0.0760 -0.0760 0.5805 0.5805 0.6198 0.6198 8.6054 8.6054 16.1922 16.1922 20.3659 20.3659 20.3717 20.3717 k = 0.2373 0.1370 0.0969 ( 1546 PWs) bands (ev): -46.3663 -46.3663 -18.8706 -18.8706 -18.3179 -18.3179 -18.1974 -18.1974 -17.7595 -17.7595 -0.1173 -0.1173 0.5738 0.5738 0.6132 0.6132 8.7060 8.7060 16.0600 16.0600 20.4006 20.4006 20.4069 20.4069 k = 0.2458 0.1419 0.1003 ( 1546 PWs) bands (ev): -46.3660 -46.3660 -18.8841 -18.8841 -18.3181 -18.3181 -18.1978 -18.1978 -17.7427 -17.7427 -0.1582 -0.1582 0.5672 0.5672 0.6065 0.6065 8.8080 8.8080 15.9298 15.9298 20.4344 20.4344 20.4412 20.4412 k = 0.2542 0.1468 0.1038 ( 1546 PWs) bands (ev): -46.3656 -46.3656 -18.8972 -18.8972 -18.3182 -18.3182 -18.1981 -18.1981 -17.7263 -17.7263 -0.1987 -0.1987 0.5605 0.5605 0.5998 0.5998 8.9113 8.9113 15.8016 15.8016 20.4671 20.4671 20.4744 20.4744 k = 0.2627 0.1517 0.1073 ( 1549 PWs) bands (ev): -46.3653 -46.3653 -18.9100 -18.9100 -18.3184 -18.3184 -18.1984 -18.1984 -17.7103 -17.7103 -0.2386 -0.2386 0.5538 0.5538 0.5931 0.5931 9.0156 9.0156 15.6753 15.6753 20.4986 20.4986 20.5064 20.5064 k = 0.2712 0.1566 0.1107 ( 1555 PWs) bands (ev): -46.3650 -46.3650 -18.9225 -18.9225 -18.3187 -18.3187 -18.1988 -18.1988 -17.6947 -17.6947 -0.2778 -0.2778 0.5472 0.5472 0.5865 0.5865 9.1208 9.1208 15.5510 15.5510 20.5287 20.5287 20.5371 20.5371 k = 0.2797 0.1615 0.1142 ( 1552 PWs) bands (ev): -46.3646 -46.3646 -18.9344 -18.9344 -18.3188 -18.3188 -18.1991 -18.1991 -17.6794 -17.6794 -0.3163 -0.3163 0.5406 0.5406 0.5799 0.5799 9.2268 9.2268 15.4285 15.4285 20.5572 20.5572 20.5661 20.5661 k = 0.2881 0.1664 0.1176 ( 1552 PWs) bands (ev): -46.3643 -46.3643 -18.9460 -18.9460 -18.3191 -18.3191 -18.1994 -18.1994 -17.6645 -17.6645 -0.3539 -0.3539 0.5342 0.5342 0.5734 0.5734 9.3335 9.3335 15.3079 15.3079 20.5841 20.5841 20.5935 20.5935 k = 0.2966 0.1712 0.1211 ( 1552 PWs) bands (ev): -46.3639 -46.3639 -18.9572 -18.9572 -18.3193 -18.3193 -18.1997 -18.1997 -17.6501 -17.6501 -0.3906 -0.3906 0.5278 0.5278 0.5670 0.5670 9.4407 9.4407 15.1891 15.1891 20.6092 20.6092 20.6192 20.6192 k = 0.3051 0.1761 0.1246 ( 1552 PWs) bands (ev): -46.3636 -46.3636 -18.9680 -18.9680 -18.3195 -18.3195 -18.2000 -18.2000 -17.6361 -17.6361 -0.4264 -0.4264 0.5215 0.5215 0.5607 0.5607 9.5483 9.5483 15.0721 15.0721 20.6324 20.6324 20.6430 20.6430 k = 0.3136 0.1810 0.1280 ( 1552 PWs) bands (ev): -46.3633 -46.3633 -18.9783 -18.9783 -18.3197 -18.3197 -18.2003 -18.2003 -17.6226 -17.6226 -0.4611 -0.4611 0.5154 0.5154 0.5546 0.5546 9.6561 9.6561 14.9568 14.9568 20.6538 20.6538 20.6649 20.6649 k = 0.3220 0.1859 0.1315 ( 1546 PWs) bands (ev): -46.3630 -46.3630 -18.9882 -18.9882 -18.3199 -18.3199 -18.2006 -18.2006 -17.6095 -17.6095 -0.4947 -0.4947 0.5094 0.5094 0.5485 0.5485 9.7639 9.7639 14.8433 14.8433 20.6732 20.6732 20.6849 20.6849 k = 0.3305 0.1908 0.1349 ( 1540 PWs) bands (ev): -46.3627 -46.3627 -18.9976 -18.9976 -18.3201 -18.3201 -18.2008 -18.2008 -17.5969 -17.5969 -0.5271 -0.5271 0.5036 0.5036 0.5427 0.5427 9.8717 9.8717 14.7315 14.7315 20.6908 20.6908 20.7029 20.7029 k = 0.3390 0.1957 0.1384 ( 1540 PWs) bands (ev): -46.3624 -46.3624 -19.0067 -19.0067 -18.3203 -18.3203 -18.2010 -18.2010 -17.5849 -17.5849 -0.5583 -0.5583 0.4979 0.4979 0.5370 0.5370 9.9792 9.9792 14.6213 14.6213 20.7065 20.7065 20.7191 20.7191 k = 0.3475 0.2006 0.1418 ( 1549 PWs) bands (ev): -46.3621 -46.3621 -19.0154 -19.0154 -18.3206 -18.3206 -18.2014 -18.2014 -17.5735 -17.5735 -0.5883 -0.5883 0.4924 0.4924 0.5315 0.5315 10.0863 10.0863 14.5129 14.5129 20.7203 20.7203 20.7335 20.7335 k = 0.3559 0.2055 0.1453 ( 1555 PWs) bands (ev): -46.3618 -46.3618 -19.0236 -19.0236 -18.3208 -18.3208 -18.2017 -18.2017 -17.5627 -17.5627 -0.6169 -0.6169 0.4871 0.4871 0.5262 0.5262 10.1928 10.1928 14.4062 14.4062 20.7325 20.7325 20.7461 20.7461 k = 0.3644 0.2104 0.1488 ( 1555 PWs) bands (ev): -46.3616 -46.3616 -19.0313 -19.0313 -18.3210 -18.3210 -18.2019 -18.2019 -17.5523 -17.5523 -0.6441 -0.6441 0.4821 0.4821 0.5211 0.5211 10.2985 10.2985 14.3012 14.3012 20.7431 20.7431 20.7572 20.7572 k = 0.3729 0.2153 0.1522 ( 1561 PWs) bands (ev): -46.3613 -46.3613 -19.0386 -19.0386 -18.3213 -18.3213 -18.2023 -18.2023 -17.5425 -17.5425 -0.6698 -0.6698 0.4773 0.4773 0.5163 0.5163 10.4031 10.4031 14.1981 14.1981 20.7521 20.7521 20.7666 20.7666 k = 0.3814 0.2202 0.1557 ( 1561 PWs) bands (ev): -46.3611 -46.3611 -19.0455 -19.0455 -18.3215 -18.3215 -18.2025 -18.2025 -17.5332 -17.5332 -0.6941 -0.6941 0.4727 0.4727 0.5117 0.5117 10.5064 10.5064 14.0970 14.0970 20.7598 20.7598 20.7747 20.7747 k = 0.3898 0.2251 0.1591 ( 1555 PWs) bands (ev): -46.3609 -46.3609 -19.0517 -19.0517 -18.3217 -18.3217 -18.2027 -18.2027 -17.5245 -17.5245 -0.7168 -0.7168 0.4684 0.4684 0.5074 0.5074 10.6082 10.6082 13.9980 13.9980 20.7662 20.7662 20.7815 20.7815 k = 0.3983 0.2300 0.1626 ( 1549 PWs) bands (ev): -46.3606 -46.3606 -19.0576 -19.0576 -18.3217 -18.3217 -18.2028 -18.2028 -17.5164 -17.5164 -0.7381 -0.7381 0.4644 0.4644 0.5034 0.5034 10.7080 10.7080 13.9013 13.9013 20.7716 20.7716 20.7872 20.7872 k = 0.4068 0.2349 0.1661 ( 1550 PWs) bands (ev): -46.3604 -46.3604 -19.0631 -19.0631 -18.3219 -18.3219 -18.2030 -18.2030 -17.5090 -17.5090 -0.7578 -0.7578 0.4607 0.4607 0.4996 0.4996 10.8054 10.8054 13.8072 13.8072 20.7759 20.7759 20.7918 20.7918 k = 0.4153 0.2397 0.1695 ( 1550 PWs) bands (ev): -46.3602 -46.3602 -19.0680 -19.0680 -18.3221 -18.3221 -18.2032 -18.2032 -17.5022 -17.5022 -0.7758 -0.7758 0.4572 0.4572 0.4961 0.4961 10.9000 10.9000 13.7161 13.7161 20.7794 20.7794 20.7956 20.7956 k = 0.4237 0.2446 0.1730 ( 1550 PWs) bands (ev): -46.3601 -46.3601 -19.0726 -19.0726 -18.3222 -18.3222 -18.2033 -18.2033 -17.4960 -17.4960 -0.7922 -0.7922 0.4541 0.4541 0.4930 0.4930 10.9912 10.9912 13.6284 13.6284 20.7821 20.7821 20.7986 20.7986 k = 0.4322 0.2495 0.1764 ( 1550 PWs) bands (ev): -46.3599 -46.3599 -19.0766 -19.0766 -18.3223 -18.3223 -18.2035 -18.2035 -17.4904 -17.4904 -0.8070 -0.8070 0.4512 0.4512 0.4901 0.4901 11.0782 11.0782 13.5449 13.5449 20.7842 20.7842 20.8010 20.8010 k = 0.4407 0.2544 0.1799 ( 1544 PWs) bands (ev): -46.3598 -46.3598 -19.0801 -19.0801 -18.3224 -18.3224 -18.2036 -18.2036 -17.4854 -17.4854 -0.8200 -0.8200 0.4487 0.4487 0.4876 0.4876 11.1601 11.1601 13.4662 13.4662 20.7859 20.7859 20.8028 20.8028 k = 0.4492 0.2593 0.1834 ( 1544 PWs) bands (ev): -46.3597 -46.3597 -19.0832 -19.0832 -18.3225 -18.3225 -18.2037 -18.2037 -17.4811 -17.4811 -0.8314 -0.8314 0.4465 0.4465 0.4853 0.4853 11.2359 11.2359 13.3934 13.3934 20.7871 20.7871 20.8042 20.8042 k = 0.4576 0.2642 0.1868 ( 1544 PWs) bands (ev): -46.3596 -46.3596 -19.0858 -19.0858 -18.3226 -18.3226 -18.2038 -18.2038 -17.4774 -17.4774 -0.8410 -0.8410 0.4446 0.4446 0.4835 0.4835 11.3042 11.3042 13.3278 13.3278 20.7880 20.7880 20.8052 20.8052 k = 0.4661 0.2691 0.1903 ( 1544 PWs) bands (ev): -46.3595 -46.3595 -19.0880 -19.0880 -18.3227 -18.3227 -18.2039 -18.2039 -17.4745 -17.4745 -0.8489 -0.8489 0.4431 0.4431 0.4819 0.4819 11.3636 11.3636 13.2707 13.2707 20.7886 20.7886 20.8059 20.8059 k = 0.4746 0.2740 0.1937 ( 1544 PWs) bands (ev): -46.3594 -46.3594 -19.0897 -19.0897 -18.3227 -18.3227 -18.2039 -18.2039 -17.4721 -17.4721 -0.8551 -0.8551 0.4419 0.4419 0.4807 0.4807 11.4123 11.4123 13.2237 13.2237 20.7890 20.7890 20.8064 20.8064 k = 0.4831 0.2789 0.1972 ( 1544 PWs) bands (ev): -46.3594 -46.3594 -19.0909 -19.0909 -18.3227 -18.3227 -18.2040 -18.2040 -17.4705 -17.4705 -0.8595 -0.8595 0.4410 0.4410 0.4798 0.4798 11.4487 11.4487 13.1887 13.1887 20.7893 20.7893 20.8068 20.8068 k = 0.4915 0.2838 0.2007 ( 1538 PWs) bands (ev): -46.3593 -46.3593 -19.0915 -19.0915 -18.3227 -18.3227 -18.2040 -18.2040 -17.4695 -17.4695 -0.8621 -0.8621 0.4405 0.4405 0.4793 0.4793 11.4713 11.4713 13.1669 13.1669 20.7894 20.7894 20.8070 20.8070 k = 0.5000 0.2887 0.2041 ( 1538 PWs) bands (ev): -46.3593 -46.3593 -19.0917 -19.0917 -18.3227 -18.3227 -18.2040 -18.2040 -17.4691 -17.4691 -0.8630 -0.8630 0.4404 0.4404 0.4792 0.4792 11.4789 11.4789 13.1595 13.1595 20.7895 20.7895 20.8070 20.8070 k = 0.5000 0.2887 0.2041 ( 1538 PWs) bands (ev): -46.3593 -46.3593 -19.0917 -19.0917 -18.3227 -18.3227 -18.2040 -18.2040 -17.4691 -17.4691 -0.8630 -0.8630 0.4404 0.4404 0.4792 0.4792 11.4789 11.4789 13.1595 13.1595 20.7895 20.7895 20.8070 20.8070 k = 0.5030 0.2801 0.2090 ( 1541 PWs) bands (ev): -46.3593 -46.3593 -19.0914 -19.0914 -18.3228 -18.3228 -18.2041 -18.2041 -17.4694 -17.4694 -0.8625 -0.8625 0.4399 0.4399 0.4787 0.4787 11.4808 11.4808 13.1599 13.1599 20.7813 20.7813 20.8026 20.8026 k = 0.5060 0.2715 0.2138 ( 1549 PWs) bands (ev): -46.3593 -46.3593 -19.0906 -19.0906 -18.3231 -18.3231 -18.2043 -18.2043 -17.4702 -17.4702 -0.8609 -0.8609 0.4386 0.4386 0.4775 0.4775 11.4866 11.4866 13.1612 13.1612 20.7481 20.7481 20.7986 20.7986 k = 0.5089 0.2629 0.2187 ( 1549 PWs) bands (ev): -46.3593 -46.3593 -19.0891 -19.0891 -18.3233 -18.3233 -18.2046 -18.2046 -17.4715 -17.4715 -0.8583 -0.8583 0.4364 0.4364 0.4755 0.4755 11.4963 11.4963 13.1633 13.1633 20.6902 20.6902 20.7962 20.7962 k = 0.5119 0.2543 0.2236 ( 1549 PWs) bands (ev): -46.3593 -46.3593 -19.0871 -19.0871 -18.3237 -18.3237 -18.2050 -18.2050 -17.4733 -17.4733 -0.8547 -0.8547 0.4332 0.4332 0.4730 0.4730 11.5097 11.5097 13.1662 13.1662 20.6118 20.6118 20.7939 20.7939 k = 0.5149 0.2457 0.2284 ( 1549 PWs) bands (ev): -46.3592 -46.3592 -19.0844 -19.0844 -18.3242 -18.3242 -18.2055 -18.2055 -17.4757 -17.4757 -0.8500 -0.8500 0.4287 0.4287 0.4701 0.4701 11.5270 11.5270 13.1699 13.1699 20.5159 20.5159 20.7911 20.7911 k = 0.5179 0.2371 0.2333 ( 1549 PWs) bands (ev): -46.3592 -46.3592 -19.0812 -19.0812 -18.3248 -18.3248 -18.2061 -18.2061 -17.4785 -17.4785 -0.8443 -0.8443 0.4230 0.4230 0.4669 0.4669 11.5479 11.5479 13.1745 13.1745 20.4053 20.4053 20.7879 20.7879 k = 0.5208 0.2285 0.2381 ( 1544 PWs) bands (ev): -46.3591 -46.3591 -19.0774 -19.0774 -18.3254 -18.3254 -18.2067 -18.2067 -17.4819 -17.4819 -0.8376 -0.8376 0.4158 0.4158 0.4637 0.4637 11.5726 11.5726 13.1800 13.1800 20.2828 20.2828 20.7842 20.7842 k = 0.5238 0.2199 0.2430 ( 1546 PWs) bands (ev): -46.3591 -46.3591 -19.0731 -19.0731 -18.3262 -18.3262 -18.2076 -18.2076 -17.4858 -17.4858 -0.8298 -0.8298 0.4071 0.4071 0.4604 0.4604 11.6009 11.6009 13.1862 13.1862 20.1506 20.1506 20.7801 20.7801 k = 0.5268 0.2114 0.2479 ( 1546 PWs) bands (ev): -46.3590 -46.3590 -19.0682 -19.0682 -18.3271 -18.3271 -18.2085 -18.2085 -17.4901 -17.4901 -0.8212 -0.8212 0.3969 0.3969 0.4572 0.4572 11.6327 11.6327 13.1934 13.1934 20.0108 20.0108 20.7755 20.7755 k = 0.5298 0.2028 0.2527 ( 1546 PWs) bands (ev): -46.3589 -46.3589 -19.0627 -19.0627 -18.3281 -18.3281 -18.2095 -18.2095 -17.4949 -17.4949 -0.8115 -0.8115 0.3853 0.3853 0.4539 0.4539 11.6680 11.6680 13.2014 13.2014 19.8650 19.8650 20.7706 20.7706 k = 0.5327 0.1942 0.2576 ( 1550 PWs) bands (ev): -46.3589 -46.3589 -19.0568 -19.0568 -18.3293 -18.3293 -18.2106 -18.2106 -17.5002 -17.5002 -0.8010 -0.8010 0.3724 0.3724 0.4507 0.4507 11.7067 11.7067 13.2102 13.2102 19.7145 19.7145 20.7653 20.7653 k = 0.5357 0.1856 0.2624 ( 1550 PWs) bands (ev): -46.3588 -46.3588 -19.0502 -19.0502 -18.3305 -18.3305 -18.2118 -18.2118 -17.5060 -17.5060 -0.7895 -0.7895 0.3582 0.3582 0.4475 0.4475 11.7486 11.7486 13.2200 13.2200 19.5606 19.5606 20.7597 20.7597 k = 0.5387 0.1770 0.2673 ( 1553 PWs) bands (ev): -46.3587 -46.3587 -19.0432 -19.0432 -18.3318 -18.3318 -18.2131 -18.2131 -17.5121 -17.5121 -0.7772 -0.7772 0.3429 0.3429 0.4441 0.4441 11.7937 11.7937 13.2306 13.2306 19.4041 19.4041 20.7538 20.7538 k = 0.5417 0.1684 0.2722 ( 1557 PWs) bands (ev): -46.3586 -46.3586 -19.0357 -19.0357 -18.3333 -18.3333 -18.2145 -18.2145 -17.5187 -17.5187 -0.7639 -0.7639 0.3264 0.3264 0.4408 0.4408 11.8418 11.8418 13.2421 13.2421 19.2457 19.2457 20.7477 20.7477 k = 0.5446 0.1598 0.2770 ( 1553 PWs) bands (ev): -46.3585 -46.3585 -19.0277 -19.0277 -18.3348 -18.3348 -18.2158 -18.2158 -17.5257 -17.5257 -0.7499 -0.7499 0.3091 0.3091 0.4374 0.4374 11.8929 11.8929 13.2545 13.2545 19.0862 19.0862 20.7413 20.7413 k = 0.5476 0.1512 0.2819 ( 1555 PWs) bands (ev): -46.3584 -46.3584 -19.0192 -19.0192 -18.3365 -18.3365 -18.2174 -18.2174 -17.5331 -17.5331 -0.7350 -0.7350 0.2908 0.2908 0.4339 0.4339 11.9468 11.9468 13.2679 13.2679 18.9259 18.9259 20.7348 20.7348 k = 0.5506 0.1426 0.2867 ( 1563 PWs) bands (ev): -46.3583 -46.3583 -19.0103 -19.0103 -18.3383 -18.3383 -18.2190 -18.2190 -17.5409 -17.5409 -0.7194 -0.7194 0.2716 0.2716 0.4302 0.4302 12.0032 12.0032 13.2821 13.2821 18.7653 18.7653 20.7281 20.7281 k = 0.5536 0.1340 0.2916 ( 1563 PWs) bands (ev): -46.3582 -46.3582 -19.0009 -19.0009 -18.3401 -18.3401 -18.2206 -18.2206 -17.5490 -17.5490 -0.7031 -0.7031 0.2518 0.2518 0.4266 0.4266 12.0622 12.0622 13.2974 13.2974 18.6048 18.6048 20.7213 20.7213 k = 0.5565 0.1254 0.2965 ( 1561 PWs) bands (ev): -46.3580 -46.3580 -18.9911 -18.9911 -18.3420 -18.3420 -18.2222 -18.2222 -17.5575 -17.5575 -0.6860 -0.6860 0.2313 0.2313 0.4229 0.4229 12.1235 12.1235 13.3136 13.3136 18.4446 18.4446 20.7144 20.7144 k = 0.5595 0.1168 0.3013 ( 1561 PWs) bands (ev): -46.3579 -46.3579 -18.9810 -18.9810 -18.3439 -18.3439 -18.2239 -18.2239 -17.5662 -17.5662 -0.6683 -0.6683 0.2102 0.2102 0.4191 0.4191 12.1869 12.1869 13.3308 13.3308 18.2850 18.2850 20.7075 20.7075 k = 0.5625 0.1083 0.3062 ( 1561 PWs) bands (ev): -46.3578 -46.3578 -18.9705 -18.9705 -18.3460 -18.3460 -18.2256 -18.2256 -17.5753 -17.5753 -0.6501 -0.6501 0.1886 0.1886 0.4152 0.4152 12.2522 12.2522 13.3491 13.3491 18.1261 18.1261 20.7004 20.7004 k = 0.5655 0.0997 0.3110 ( 1559 PWs) bands (ev): -46.3577 -46.3577 -18.9596 -18.9596 -18.3482 -18.3482 -18.2273 -18.2273 -17.5846 -17.5846 -0.6312 -0.6312 0.1666 0.1666 0.4114 0.4114 12.3192 12.3192 13.3684 13.3684 17.9682 17.9682 20.6934 20.6934 k = 0.5685 0.0911 0.3159 ( 1559 PWs) bands (ev): -46.3575 -46.3575 -18.9484 -18.9484 -18.3504 -18.3504 -18.2291 -18.2291 -17.5941 -17.5941 -0.6118 -0.6118 0.1443 0.1443 0.4074 0.4074 12.3877 12.3877 13.3888 13.3888 17.8114 17.8114 20.6863 20.6863 k = 0.5714 0.0825 0.3208 ( 1559 PWs) bands (ev): -46.3574 -46.3574 -18.9369 -18.9369 -18.3527 -18.3527 -18.2309 -18.2309 -17.6039 -17.6039 -0.5920 -0.5920 0.1217 0.1217 0.4035 0.4035 12.4575 12.4575 13.4104 13.4104 17.6559 17.6559 20.6792 20.6792 k = 0.5744 0.0739 0.3256 ( 1559 PWs) bands (ev): -46.3573 -46.3573 -18.9252 -18.9252 -18.3551 -18.3551 -18.2327 -18.2327 -17.6138 -17.6138 -0.5718 -0.5718 0.0990 0.0990 0.3996 0.3996 12.5283 12.5283 13.4332 13.4332 17.5017 17.5017 20.6720 20.6720 k = 0.5774 0.0653 0.3305 ( 1563 PWs) bands (ev): -46.3572 -46.3572 -18.9133 -18.9133 -18.3576 -18.3576 -18.2345 -18.2345 -17.6240 -17.6240 -0.5512 -0.5512 0.0762 0.0762 0.3956 0.3956 12.5997 12.5997 13.4573 13.4573 17.3490 17.3490 20.6649 20.6649 k = 0.5804 0.0567 0.3353 ( 1564 PWs) bands (ev): -46.3570 -46.3570 -18.9012 -18.9012 -18.3601 -18.3601 -18.2363 -18.2363 -17.6342 -17.6342 -0.5304 -0.5304 0.0534 0.0534 0.3917 0.3917 12.6715 12.6715 13.4828 13.4828 17.1979 17.1979 20.6578 20.6578 k = 0.5833 0.0481 0.3402 ( 1566 PWs) bands (ev): -46.3569 -46.3569 -18.8889 -18.8889 -18.3626 -18.3626 -18.2381 -18.2381 -17.6446 -17.6446 -0.5094 -0.5094 0.0308 0.0308 0.3878 0.3878 12.7433 12.7433 13.5097 13.5097 17.0487 17.0487 20.6507 20.6507 k = 0.5863 0.0395 0.3451 ( 1564 PWs) bands (ev): -46.3568 -46.3568 -18.8765 -18.8765 -18.3652 -18.3652 -18.2398 -18.2398 -17.6550 -17.6550 -0.4882 -0.4882 0.0084 0.0084 0.3840 0.3840 12.8147 12.8147 13.5382 13.5382 16.9014 16.9014 20.6436 20.6436 k = 0.5893 0.0309 0.3499 ( 1562 PWs) bands (ev): -46.3567 -46.3567 -18.8641 -18.8641 -18.3677 -18.3677 -18.2415 -18.2415 -17.6654 -17.6654 -0.4671 -0.4671 -0.0136 -0.0136 0.3802 0.3802 12.8854 12.8854 13.5684 13.5684 16.7563 16.7563 20.6365 20.6365 k = 0.5923 0.0223 0.3548 ( 1562 PWs) bands (ev): -46.3566 -46.3566 -18.8516 -18.8516 -18.3703 -18.3703 -18.2432 -18.2432 -17.6759 -17.6759 -0.4461 -0.4461 -0.0350 -0.0350 0.3766 0.3766 12.9547 12.9547 13.6002 13.6002 16.6136 16.6136 20.6225 20.6225 k = 0.5952 0.0137 0.3596 ( 1563 PWs) bands (ev): -46.3564 -46.3564 -18.8392 -18.8392 -18.3729 -18.3729 -18.2448 -18.2448 -17.6864 -17.6864 -0.4254 -0.4254 -0.0557 -0.0557 0.3730 0.3730 13.0224 13.0224 13.6338 13.6338 16.4736 16.4736 20.5482 20.5482 k = 0.5982 0.0052 0.3645 ( 1563 PWs) bands (ev): -46.3563 -46.3563 -18.8268 -18.8268 -18.3754 -18.3754 -18.2464 -18.2464 -17.6969 -17.6969 -0.4054 -0.4054 -0.0754 -0.0754 0.3695 0.3695 13.0879 13.0879 13.6691 13.6691 16.3367 16.3367 20.4771 20.4771 k = 0.6012-0.0034 0.3694 ( 1565 PWs) bands (ev): -46.3562 -46.3562 -18.8146 -18.8146 -18.3778 -18.3778 -18.2479 -18.2479 -17.7072 -17.7072 -0.3862 -0.3862 -0.0938 -0.0938 0.3661 0.3661 13.1508 13.1508 13.7058 13.7058 16.2034 16.2034 20.4108 20.4108 k = 0.6042-0.0120 0.3742 ( 1561 PWs) bands (ev): -46.3561 -46.3561 -18.8025 -18.8025 -18.3801 -18.3801 -18.2493 -18.2493 -17.7175 -17.7175 -0.3684 -0.3684 -0.1102 -0.1102 0.3629 0.3629 13.2108 13.2108 13.7435 13.7435 16.0744 16.0744 20.3497 20.3497 k = 0.6071-0.0206 0.3791 ( 1563 PWs) bands (ev): -46.3561 -46.3561 -18.7907 -18.7907 -18.3824 -18.3824 -18.2507 -18.2507 -17.7276 -17.7276 -0.3526 -0.3526 -0.1242 -0.1242 0.3598 0.3598 13.2675 13.2675 13.7815 13.7815 15.9506 15.9506 20.2937 20.2937 k = 0.6101-0.0292 0.3839 ( 1563 PWs) bands (ev): -46.3560 -46.3560 -18.7792 -18.7792 -18.3845 -18.3845 -18.2520 -18.2520 -17.7376 -17.7376 -0.3398 -0.3398 -0.1347 -0.1347 0.3569 0.3569 13.3210 13.3210 13.8187 13.8187 15.8330 15.8330 20.2429 20.2429 k = 0.6131-0.0378 0.3888 ( 1565 PWs) bands (ev): -46.3559 -46.3559 -18.7682 -18.7682 -18.3864 -18.3864 -18.2532 -18.2532 -17.7473 -17.7473 -0.3310 -0.3310 -0.1407 -0.1407 0.3542 0.3542 13.3711 13.3711 13.8536 13.8536 15.7233 15.7233 20.1974 20.1974 k = 0.6161-0.0464 0.3937 ( 1564 PWs) bands (ev): -46.3559 -46.3559 -18.7575 -18.7575 -18.3881 -18.3881 -18.2544 -18.2544 -17.7568 -17.7568 -0.3270 -0.3270 -0.1414 -0.1414 0.3516 0.3516 13.4180 13.4180 13.8839 13.8839 15.6232 15.6232 20.1570 20.1570 k = 0.6190-0.0550 0.3985 ( 1566 PWs) bands (ev): -46.3558 -46.3558 -18.7474 -18.7474 -18.3896 -18.3896 -18.2554 -18.2554 -17.7661 -17.7661 -0.3279 -0.3279 -0.1367 -0.1367 0.3493 0.3493 13.4619 13.4619 13.9073 13.9073 15.5350 15.5350 20.1218 20.1218 k = 0.6220-0.0636 0.4034 ( 1568 PWs) bands (ev): -46.3558 -46.3558 -18.7379 -18.7379 -18.3907 -18.3907 -18.2563 -18.2563 -17.7750 -17.7750 -0.3331 -0.3331 -0.1271 -0.1271 0.3471 0.3471 13.5028 13.5028 13.9208 13.9208 15.4615 15.4615 20.0917 20.0917 k = 0.6250-0.0722 0.4082 ( 1568 PWs) bands (ev): -46.3557 -46.3557 -18.7291 -18.7291 -18.3916 -18.3916 -18.2571 -18.2571 -17.7836 -17.7836 -0.3414 -0.3414 -0.1138 -0.1138 0.3452 0.3452 13.5409 13.5409 13.9219 13.9219 15.4052 15.4052 20.0666 20.0666 k = 0.6250-0.0722 0.4082 ( 1568 PWs) bands (ev): -46.3557 -46.3557 -18.7291 -18.7291 -18.3916 -18.3916 -18.2571 -18.2571 -17.7836 -17.7836 -0.3414 -0.3414 -0.1138 -0.1138 0.3452 0.3452 13.5409 13.5409 13.9219 13.9219 15.4052 15.4052 20.0666 20.0666 k = 0.6198-0.0692 0.4168 ( 1568 PWs) bands (ev): -46.3557 -46.3557 -18.7290 -18.7290 -18.3916 -18.3916 -18.2572 -18.2572 -17.7836 -17.7836 -0.3411 -0.3411 -0.1137 -0.1137 0.3445 0.3445 13.5421 13.5421 13.9219 13.9219 15.4068 15.4068 20.0190 20.0190 k = 0.6146-0.0662 0.4253 ( 1565 PWs) bands (ev): -46.3557 -46.3557 -18.7287 -18.7287 -18.3916 -18.3916 -18.2576 -18.2576 -17.7834 -17.7834 -0.3401 -0.3401 -0.1132 -0.1132 0.3424 0.3424 13.5459 13.5459 13.9216 13.9216 15.4116 15.4116 19.9094 19.9094 k = 0.6094-0.0631 0.4338 ( 1569 PWs) bands (ev): -46.3557 -46.3557 -18.7283 -18.7283 -18.3917 -18.3917 -18.2583 -18.2583 -17.7830 -17.7830 -0.3383 -0.3383 -0.1125 -0.1125 0.3388 0.3388 13.5522 13.5522 13.9213 13.9213 15.4197 15.4197 19.7758 19.7758 k = 0.6042-0.0601 0.4423 ( 1569 PWs) bands (ev): -46.3557 -46.3557 -18.7278 -18.7278 -18.3918 -18.3918 -18.2593 -18.2593 -17.7826 -17.7826 -0.3359 -0.3359 -0.1116 -0.1116 0.3339 0.3339 13.5609 13.5609 13.9208 13.9208 15.4309 15.4309 19.6331 19.6331 k = 0.5990-0.0571 0.4508 ( 1566 PWs) bands (ev): -46.3557 -46.3557 -18.7271 -18.7271 -18.3919 -18.3919 -18.2604 -18.2604 -17.7820 -17.7820 -0.3329 -0.3329 -0.1103 -0.1103 0.3277 0.3277 13.5719 13.5719 13.9202 13.9202 15.4451 15.4451 19.4872 19.4872 k = 0.5938-0.0541 0.4593 ( 1564 PWs) bands (ev): -46.3557 -46.3557 -18.7263 -18.7263 -18.3920 -18.3920 -18.2617 -18.2617 -17.7813 -17.7813 -0.3291 -0.3291 -0.1089 -0.1089 0.3202 0.3202 13.5852 13.5852 13.9195 13.9195 15.4624 15.4624 19.3404 19.3404 k = 0.5885-0.0511 0.4678 ( 1564 PWs) bands (ev): -46.3557 -46.3557 -18.7253 -18.7253 -18.3921 -18.3921 -18.2633 -18.2633 -17.7805 -17.7805 -0.3247 -0.3247 -0.1073 -0.1073 0.3116 0.3116 13.6007 13.6007 13.9187 13.9187 15.4825 15.4825 19.1942 19.1942 k = 0.5833-0.0481 0.4763 ( 1572 PWs) bands (ev): -46.3557 -46.3557 -18.7243 -18.7243 -18.3924 -18.3924 -18.2652 -18.2652 -17.7797 -17.7797 -0.3197 -0.3197 -0.1056 -0.1056 0.3017 0.3017 13.6181 13.6181 13.9178 13.9178 15.5054 15.5054 19.0493 19.0493 k = 0.5781-0.0451 0.4848 ( 1568 PWs) bands (ev): -46.3556 -46.3556 -18.7231 -18.7231 -18.3926 -18.3926 -18.2670 -18.2670 -17.7788 -17.7788 -0.3139 -0.3139 -0.1037 -0.1037 0.2910 0.2910 13.6373 13.6373 13.9169 13.9169 15.5308 15.5308 18.9064 18.9064 k = 0.5729-0.0421 0.4933 ( 1568 PWs) bands (ev): -46.3556 -46.3556 -18.7218 -18.7218 -18.3929 -18.3929 -18.2690 -18.2690 -17.7778 -17.7778 -0.3076 -0.3076 -0.1019 -0.1019 0.2794 0.2794 13.6582 13.6582 13.9160 13.9160 15.5585 15.5585 18.7662 18.7662 k = 0.5677-0.0391 0.5018 ( 1572 PWs) bands (ev): -46.3556 -46.3556 -18.7205 -18.7205 -18.3932 -18.3932 -18.2710 -18.2710 -17.7768 -17.7768 -0.3006 -0.3006 -0.1001 -0.1001 0.2670 0.2670 13.6804 13.6804 13.9151 13.9151 15.5882 15.5882 18.6291 18.6291 k = 0.5625-0.0361 0.5103 ( 1571 PWs) bands (ev): -46.3556 -46.3556 -18.7192 -18.7192 -18.3936 -18.3936 -18.2731 -18.2731 -17.7758 -17.7758 -0.2930 -0.2930 -0.0986 -0.0986 0.2541 0.2541 13.7038 13.7038 13.9142 13.9142 15.6196 15.6196 18.4959 18.4959 k = 0.5573-0.0331 0.5188 ( 1574 PWs) bands (ev): -46.3556 -46.3556 -18.7178 -18.7178 -18.3940 -18.3940 -18.2751 -18.2751 -17.7748 -17.7748 -0.2848 -0.2848 -0.0973 -0.0973 0.2409 0.2409 13.7280 13.7280 13.9133 13.9133 15.6522 15.6522 18.3672 18.3672 k = 0.5521-0.0301 0.5273 ( 1575 PWs) bands (ev): -46.3555 -46.3555 -18.7164 -18.7164 -18.3945 -18.3945 -18.2771 -18.2771 -17.7738 -17.7738 -0.2761 -0.2761 -0.0965 -0.0965 0.2276 0.2276 13.7528 13.7528 13.9126 13.9126 15.6856 15.6856 18.2438 18.2438 k = 0.5469-0.0271 0.5358 ( 1576 PWs) bands (ev): -46.3555 -46.3555 -18.7150 -18.7150 -18.3950 -18.3950 -18.2790 -18.2790 -17.7728 -17.7728 -0.2667 -0.2667 -0.0962 -0.0962 0.2143 0.2143 13.7777 13.7777 13.9120 13.9120 15.7191 15.7191 18.1266 18.1266 k = 0.5417-0.0241 0.5443 ( 1568 PWs) bands (ev): -46.3555 -46.3555 -18.7137 -18.7137 -18.3954 -18.3954 -18.2807 -18.2807 -17.7719 -17.7719 -0.2568 -0.2568 -0.0968 -0.0968 0.2015 0.2015 13.8024 13.8024 13.9117 13.9117 15.7520 15.7520 18.0166 18.0166 k = 0.5365-0.0210 0.5528 ( 1570 PWs) bands (ev): -46.3555 -46.3555 -18.7124 -18.7124 -18.3959 -18.3959 -18.2823 -18.2823 -17.7710 -17.7710 -0.2465 -0.2465 -0.0984 -0.0984 0.1894 0.1894 13.8264 13.8264 13.9115 13.9115 15.7835 15.7835 17.9151 17.9151 k = 0.5312-0.0180 0.5613 ( 1572 PWs) bands (ev): -46.3554 -46.3554 -18.7113 -18.7113 -18.3965 -18.3965 -18.2838 -18.2838 -17.7703 -17.7703 -0.2357 -0.2357 -0.1013 -0.1013 0.1783 0.1783 13.8491 13.8491 13.9116 13.9116 15.8127 15.8127 17.8234 17.8234 k = 0.5260-0.0150 0.5698 ( 1570 PWs) bands (ev): -46.3554 -46.3554 -18.7102 -18.7102 -18.3969 -18.3969 -18.2850 -18.2850 -17.7696 -17.7696 -0.2244 -0.2244 -0.1056 -0.1056 0.1686 0.1686 13.8699 13.8699 13.9121 13.9121 15.8385 15.8385 17.7428 17.7428 k = 0.5208-0.0120 0.5784 ( 1568 PWs) bands (ev): -46.3554 -46.3554 -18.7093 -18.7093 -18.3973 -18.3973 -18.2860 -18.2860 -17.7691 -17.7691 -0.2128 -0.2128 -0.1114 -0.1114 0.1604 0.1604 13.8882 13.8882 13.9130 13.9130 15.8602 15.8602 17.6748 17.6748 k = 0.5156-0.0090 0.5869 ( 1570 PWs) bands (ev): -46.3554 -46.3554 -18.7086 -18.7086 -18.3977 -18.3977 -18.2868 -18.2868 -17.7686 -17.7686 -0.2010 -0.2010 -0.1188 -0.1188 0.1541 0.1541 13.9030 13.9030 13.9146 13.9146 15.8770 15.8770 17.6208 17.6208 k = 0.5104-0.0060 0.5954 ( 1564 PWs) bands (ev): -46.3554 -46.3554 -18.7080 -18.7080 -18.3980 -18.3980 -18.2873 -18.2873 -17.7683 -17.7683 -0.1894 -0.1894 -0.1273 -0.1273 0.1496 0.1496 13.9125 13.9125 13.9179 13.9179 15.8885 15.8885 17.5818 17.5818 k = 0.5052-0.0030 0.6039 ( 1564 PWs) bands (ev): -46.3554 -46.3554 -18.7077 -18.7077 -18.3982 -18.3982 -18.2876 -18.2876 -17.7681 -17.7681 -0.1791 -0.1791 -0.1359 -0.1359 0.1470 0.1470 13.9164 13.9164 13.9223 13.9223 15.8948 15.8948 17.5584 17.5584 k = 0.5000-0.0000 0.6124 ( 1564 PWs) bands (ev): -46.3554 -46.3554 -18.7076 -18.7076 -18.3983 -18.3983 -18.2878 -18.2878 -17.7680 -17.7680 -0.1741 -0.1741 -0.1404 -0.1404 0.1461 0.1461 13.9182 13.9182 13.9235 13.9235 15.8966 15.8966 17.5507 17.5507 k = 0.5000-0.0000 0.6124 ( 1564 PWs) bands (ev): -46.3554 -46.3554 -18.7076 -18.7076 -18.3983 -18.3983 -18.2878 -18.2878 -17.7680 -17.7680 -0.1741 -0.1741 -0.1404 -0.1404 0.1461 0.1461 13.9182 13.9182 13.9235 13.9235 15.8966 15.8966 17.5507 17.5507 k = 0.5000 0.0060 0.6039 ( 1564 PWs) bands (ev): -46.3554 -46.3554 -18.7082 -18.7082 -18.3981 -18.3981 -18.2876 -18.2876 -17.7676 -17.7676 -0.1747 -0.1747 -0.1409 -0.1409 0.1474 0.1474 13.9148 13.9148 13.9206 13.9206 15.9011 15.9011 17.5564 17.5564 k = 0.5000 0.0120 0.5954 ( 1564 PWs) bands (ev): -46.3554 -46.3554 -18.7102 -18.7102 -18.3976 -18.3976 -18.2870 -18.2870 -17.7665 -17.7665 -0.1769 -0.1769 -0.1419 -0.1419 0.1511 0.1511 13.9028 13.9028 13.9139 13.9139 15.9144 15.9144 17.5733 17.5733 k = 0.5000 0.0180 0.5869 ( 1570 PWs) bands (ev): -46.3554 -46.3554 -18.7135 -18.7135 -18.3969 -18.3969 -18.2861 -18.2861 -17.7645 -17.7645 -0.1816 -0.1816 -0.1423 -0.1423 0.1571 0.1571 13.8817 13.8817 13.9043 13.9043 15.9365 15.9365 17.6012 17.6012 k = 0.5000 0.0241 0.5784 ( 1570 PWs) bands (ev): -46.3554 -46.3554 -18.7180 -18.7180 -18.3958 -18.3958 -18.2848 -18.2848 -17.7619 -17.7619 -0.1896 -0.1896 -0.1409 -0.1409 0.1649 0.1649 13.8525 13.8525 13.8916 13.8916 15.9669 15.9669 17.6396 17.6396 k = 0.5000 0.0301 0.5698 ( 1574 PWs) bands (ev): -46.3555 -46.3555 -18.7237 -18.7237 -18.3945 -18.3945 -18.2832 -18.2832 -17.7585 -17.7585 -0.2008 -0.2008 -0.1374 -0.1374 0.1742 0.1742 13.8157 13.8157 13.8759 13.8759 16.0055 16.0055 17.6881 17.6881 k = 0.5000 0.0361 0.5613 ( 1572 PWs) bands (ev): -46.3555 -46.3555 -18.7304 -18.7304 -18.3930 -18.3930 -18.2813 -18.2813 -17.7544 -17.7544 -0.2146 -0.2146 -0.1321 -0.1321 0.1846 0.1846 13.7721 13.7721 13.8576 13.8576 16.0519 16.0519 17.7460 17.7460 k = 0.5000 0.0421 0.5528 ( 1572 PWs) bands (ev): -46.3556 -46.3556 -18.7381 -18.7381 -18.3912 -18.3912 -18.2791 -18.2791 -17.7496 -17.7496 -0.2304 -0.2304 -0.1253 -0.1253 0.1959 0.1959 13.7222 13.7222 13.8370 13.8370 16.1056 16.1056 17.8125 17.8125 k = 0.5000 0.0481 0.5443 ( 1574 PWs) bands (ev): -46.3557 -46.3557 -18.7467 -18.7467 -18.3894 -18.3894 -18.2767 -18.2767 -17.7442 -17.7442 -0.2478 -0.2478 -0.1171 -0.1171 0.2077 0.2077 13.6669 13.6669 13.8145 13.8145 16.1662 16.1662 17.8871 17.8871 k = 0.5000 0.0541 0.5358 ( 1574 PWs) bands (ev): -46.3557 -46.3557 -18.7560 -18.7560 -18.3874 -18.3874 -18.2742 -18.2742 -17.7382 -17.7382 -0.2664 -0.2664 -0.1076 -0.1076 0.2198 0.2198 13.6068 13.6068 13.7905 13.7905 16.2333 16.2333 17.9690 17.9690 k = 0.5000 0.0601 0.5273 ( 1574 PWs) bands (ev): -46.3558 -46.3558 -18.7661 -18.7661 -18.3853 -18.3853 -18.2715 -18.2715 -17.7316 -17.7316 -0.2859 -0.2859 -0.0970 -0.0970 0.2321 0.2321 13.5425 13.5425 13.7653 13.7653 16.3066 16.3066 18.0575 18.0575 k = 0.5000 0.0662 0.5188 ( 1572 PWs) bands (ev): -46.3559 -46.3559 -18.7767 -18.7767 -18.3830 -18.3830 -18.2686 -18.2686 -17.7244 -17.7244 -0.3062 -0.3062 -0.0853 -0.0853 0.2445 0.2445 13.4747 13.4747 13.7392 13.7392 16.3856 16.3856 18.1519 18.1519 k = 0.5000 0.0722 0.5103 ( 1564 PWs) bands (ev): -46.3560 -46.3560 -18.7878 -18.7878 -18.3807 -18.3807 -18.2657 -18.2657 -17.7168 -17.7168 -0.3271 -0.3271 -0.0725 -0.0725 0.2567 0.2567 13.4039 13.4039 13.7125 13.7125 16.4702 16.4702 18.2515 18.2515 k = 0.5000 0.0782 0.5018 ( 1570 PWs) bands (ev): -46.3561 -46.3561 -18.7993 -18.7993 -18.3784 -18.3784 -18.2629 -18.2629 -17.7087 -17.7087 -0.3484 -0.3484 -0.0589 -0.0589 0.2687 0.2687 13.3308 13.3308 13.6855 13.6855 16.5598 16.5598 18.3558 18.3558 k = 0.5000 0.0842 0.4933 ( 1566 PWs) bands (ev): -46.3562 -46.3562 -18.8112 -18.8112 -18.3760 -18.3760 -18.2599 -18.2599 -17.7003 -17.7003 -0.3701 -0.3701 -0.0443 -0.0443 0.2806 0.2806 13.2558 13.2558 13.6584 13.6584 16.6544 16.6544 18.4642 18.4642 k = 0.5000 0.0902 0.4848 ( 1566 PWs) bands (ev): -46.3563 -46.3563 -18.8233 -18.8233 -18.3737 -18.3737 -18.2570 -18.2570 -17.6915 -17.6915 -0.3920 -0.3920 -0.0289 -0.0289 0.2921 0.2921 13.1794 13.1794 13.6314 13.6314 16.7535 16.7535 18.5762 18.5762 k = 0.5000 0.0962 0.4763 ( 1566 PWs) bands (ev): -46.3564 -46.3564 -18.8356 -18.8356 -18.3713 -18.3713 -18.2541 -18.2541 -17.6824 -17.6824 -0.4141 -0.4141 -0.0127 -0.0127 0.3033 0.3033 13.1019 13.1019 13.6046 13.6046 16.8571 16.8571 18.6911 18.6911 k = 0.5000 0.1022 0.4678 ( 1560 PWs) bands (ev): -46.3565 -46.3565 -18.8481 -18.8481 -18.3688 -18.3688 -18.2512 -18.2512 -17.6730 -17.6730 -0.4362 -0.4362 0.0042 0.0042 0.3141 0.3141 13.0238 13.0238 13.5781 13.5781 16.9649 16.9649 18.8085 18.8085 k = 0.5000 0.1083 0.4593 ( 1560 PWs) bands (ev): -46.3566 -46.3566 -18.8606 -18.8606 -18.3664 -18.3664 -18.2484 -18.2484 -17.6635 -17.6635 -0.4582 -0.4582 0.0218 0.0218 0.3245 0.3245 12.9454 12.9454 13.5522 13.5522 17.0768 17.0768 18.9278 18.9278 k = 0.5000 0.1143 0.4508 ( 1558 PWs) bands (ev): -46.3567 -46.3567 -18.8731 -18.8731 -18.3640 -18.3640 -18.2457 -18.2457 -17.6538 -17.6538 -0.4802 -0.4802 0.0399 0.0399 0.3346 0.3346 12.8670 12.8670 13.5268 13.5268 17.1924 17.1924 19.0486 19.0486 k = 0.5000 0.1203 0.4423 ( 1556 PWs) bands (ev): -46.3568 -46.3568 -18.8855 -18.8855 -18.3616 -18.3616 -18.2431 -18.2431 -17.6440 -17.6440 -0.5021 -0.5021 0.0586 0.0586 0.3442 0.3442 12.7889 12.7889 13.5020 13.5020 17.3118 17.3118 19.1703 19.1703 k = 0.5000 0.1263 0.4338 ( 1556 PWs) bands (ev): -46.3570 -46.3570 -18.8979 -18.8979 -18.3593 -18.3593 -18.2405 -18.2405 -17.6342 -17.6342 -0.5237 -0.5237 0.0776 0.0776 0.3534 0.3534 12.7114 12.7114 13.4780 13.4780 17.4346 17.4346 19.2923 19.2923 k = 0.5000 0.1323 0.4253 ( 1558 PWs) bands (ev): -46.3571 -46.3571 -18.9102 -18.9102 -18.3570 -18.3570 -18.2381 -18.2381 -17.6244 -17.6244 -0.5451 -0.5451 0.0970 0.0970 0.3623 0.3623 12.6347 12.6347 13.4547 13.4547 17.5609 17.5609 19.4141 19.4141 k = 0.5000 0.1383 0.4168 ( 1556 PWs) bands (ev): -46.3572 -46.3572 -18.9223 -18.9223 -18.3547 -18.3547 -18.2356 -18.2356 -17.6146 -17.6146 -0.5661 -0.5661 0.1167 0.1167 0.3707 0.3707 12.5590 12.5590 13.4323 13.4323 17.6903 17.6903 19.5350 19.5350 k = 0.5000 0.1443 0.4082 ( 1556 PWs) bands (ev): -46.3574 -46.3574 -18.9341 -18.9341 -18.3524 -18.3524 -18.2333 -18.2333 -17.6049 -17.6049 -0.5867 -0.5867 0.1366 0.1366 0.3786 0.3786 12.4846 12.4846 13.4107 13.4107 17.8228 17.8228 19.6542 19.6542 k = 0.5000 0.1504 0.3997 ( 1556 PWs) bands (ev): -46.3575 -46.3575 -18.9458 -18.9458 -18.3502 -18.3502 -18.2311 -18.2311 -17.5953 -17.5953 -0.6070 -0.6070 0.1567 0.1567 0.3862 0.3862 12.4117 12.4117 13.3899 13.3899 17.9582 17.9582 19.7711 19.7711 k = 0.5000 0.1564 0.3912 ( 1558 PWs) bands (ev): -46.3576 -46.3576 -18.9571 -18.9571 -18.3481 -18.3481 -18.2290 -18.2290 -17.5859 -17.5859 -0.6267 -0.6267 0.1767 0.1767 0.3933 0.3933 12.3404 12.3404 13.3700 13.3700 18.0964 18.0964 19.8849 19.8849 k = 0.5000 0.1624 0.3827 ( 1560 PWs) bands (ev): -46.3578 -46.3578 -18.9682 -18.9682 -18.3460 -18.3460 -18.2269 -18.2269 -17.5767 -17.5767 -0.6459 -0.6459 0.1966 0.1966 0.4000 0.4000 12.2709 12.2709 13.3511 13.3511 18.2370 18.2370 19.9945 19.9945 k = 0.5000 0.1684 0.3742 ( 1556 PWs) bands (ev): -46.3579 -46.3579 -18.9789 -18.9789 -18.3439 -18.3439 -18.2249 -18.2249 -17.5676 -17.5676 -0.6645 -0.6645 0.2165 0.2165 0.4064 0.4064 12.2034 12.2034 13.3330 13.3330 18.3800 18.3800 20.0992 20.0992 k = 0.5000 0.1744 0.3657 ( 1558 PWs) bands (ev): -46.3580 -46.3580 -18.9892 -18.9892 -18.3420 -18.3420 -18.2230 -18.2230 -17.5588 -17.5588 -0.6826 -0.6826 0.2360 0.2360 0.4124 0.4124 12.1381 12.1381 13.3158 13.3158 18.5252 18.5252 20.1979 20.1979 k = 0.5000 0.1804 0.3572 ( 1550 PWs) bands (ev): -46.3581 -46.3581 -18.9991 -18.9991 -18.3401 -18.3401 -18.2212 -18.2212 -17.5503 -17.5503 -0.6999 -0.6999 0.2552 0.2552 0.4181 0.4181 12.0752 12.0752 13.2996 13.2996 18.6722 18.6722 20.2897 20.2897 k = 0.5000 0.1864 0.3487 ( 1550 PWs) bands (ev): -46.3582 -46.3582 -19.0086 -19.0086 -18.3383 -18.3383 -18.2194 -18.2194 -17.5421 -17.5421 -0.7165 -0.7165 0.2740 0.2740 0.4234 0.4234 12.0147 12.0147 13.2843 13.2843 18.8208 18.8208 20.3738 20.3738 k = 0.5000 0.1925 0.3402 ( 1550 PWs) bands (ev): -46.3583 -46.3583 -19.0177 -19.0177 -18.3366 -18.3366 -18.2178 -18.2178 -17.5343 -17.5343 -0.7324 -0.7324 0.2922 0.2922 0.4284 0.4284 11.9568 11.9568 13.2698 13.2698 18.9706 18.9706 20.4496 20.4496 k = 0.5000 0.1985 0.3317 ( 1550 PWs) bands (ev): -46.3585 -46.3585 -19.0264 -19.0264 -18.3350 -18.3350 -18.2162 -18.2162 -17.5268 -17.5268 -0.7476 -0.7476 0.3098 0.3098 0.4331 0.4331 11.9017 11.9017 13.2563 13.2563 19.1214 19.1214 20.5165 20.5165 k = 0.5000 0.2045 0.3232 ( 1552 PWs) bands (ev): -46.3586 -46.3586 -19.0345 -19.0345 -18.3334 -18.3334 -18.2147 -18.2147 -17.5197 -17.5197 -0.7619 -0.7619 0.3267 0.3267 0.4375 0.4375 11.8495 11.8495 13.2437 13.2437 19.2726 19.2726 20.5745 20.5745 k = 0.5000 0.2105 0.3147 ( 1554 PWs) bands (ev): -46.3587 -46.3587 -19.0422 -19.0422 -18.3320 -18.3320 -18.2133 -18.2133 -17.5130 -17.5130 -0.7754 -0.7754 0.3427 0.3427 0.4416 0.4416 11.8003 11.8003 13.2320 13.2320 19.4236 19.4236 20.6238 20.6238 k = 0.5000 0.2165 0.3062 ( 1550 PWs) bands (ev): -46.3588 -46.3588 -19.0494 -19.0494 -18.3306 -18.3306 -18.2120 -18.2120 -17.5067 -17.5067 -0.7880 -0.7880 0.3578 0.3578 0.4456 0.4456 11.7542 11.7542 13.2212 13.2212 19.5739 19.5739 20.6647 20.6647 k = 0.5000 0.2225 0.2977 ( 1548 PWs) bands (ev): -46.3589 -46.3589 -19.0560 -19.0560 -18.3294 -18.3294 -18.2107 -18.2107 -17.5009 -17.5009 -0.7997 -0.7997 0.3718 0.3718 0.4493 0.4493 11.7114 11.7114 13.2113 13.2113 19.7227 19.7227 20.6980 20.6980 k = 0.5000 0.2285 0.2892 ( 1554 PWs) bands (ev): -46.3590 -46.3590 -19.0622 -19.0622 -18.3283 -18.3283 -18.2097 -18.2097 -17.4955 -17.4955 -0.8105 -0.8105 0.3847 0.3847 0.4529 0.4529 11.6719 11.6719 13.2022 13.2022 19.8689 19.8689 20.7246 20.7246 k = 0.5000 0.2345 0.2807 ( 1548 PWs) bands (ev): -46.3590 -46.3590 -19.0677 -19.0677 -18.3272 -18.3272 -18.2086 -18.2086 -17.4905 -17.4905 -0.8203 -0.8203 0.3963 0.3963 0.4564 0.4564 11.6359 11.6359 13.1941 13.1941 20.0116 20.0116 20.7454 20.7454 k = 0.5000 0.2406 0.2722 ( 1548 PWs) bands (ev): -46.3591 -46.3591 -19.0727 -19.0727 -18.3263 -18.3263 -18.2077 -18.2077 -17.4861 -17.4861 -0.8292 -0.8292 0.4065 0.4065 0.4599 0.4599 11.6034 11.6034 13.1868 13.1868 20.1491 20.1491 20.7613 20.7613 k = 0.5000 0.2466 0.2637 ( 1546 PWs) bands (ev): -46.3591 -46.3591 -19.0772 -19.0772 -18.3255 -18.3255 -18.2068 -18.2068 -17.4822 -17.4822 -0.8370 -0.8370 0.4153 0.4153 0.4633 0.4633 11.5745 11.5745 13.1804 13.1804 20.2799 20.2799 20.7732 20.7732 k = 0.5000 0.2526 0.2552 ( 1546 PWs) bands (ev): -46.3592 -46.3592 -19.0810 -19.0810 -18.3248 -18.3248 -18.2061 -18.2061 -17.4787 -17.4787 -0.8439 -0.8439 0.4227 0.4227 0.4667 0.4667 11.5494 11.5494 13.1748 13.1748 20.4019 20.4019 20.7819 20.7819 k = 0.5000 0.2586 0.2467 ( 1552 PWs) bands (ev): -46.3593 -46.3593 -19.0843 -19.0843 -18.3243 -18.3243 -18.2055 -18.2055 -17.4758 -17.4758 -0.8497 -0.8497 0.4285 0.4285 0.4699 0.4699 11.5279 11.5279 13.1701 13.1701 20.5125 20.5125 20.7882 20.7882 k = 0.5000 0.2646 0.2381 ( 1552 PWs) bands (ev): -46.3593 -46.3593 -19.0870 -19.0870 -18.3238 -18.3238 -18.2050 -18.2050 -17.4734 -17.4734 -0.8545 -0.8545 0.4330 0.4330 0.4729 0.4729 11.5104 11.5104 13.1663 13.1663 20.6091 20.6091 20.7926 20.7926 k = 0.5000 0.2706 0.2296 ( 1550 PWs) bands (ev): -46.3593 -46.3593 -19.0891 -19.0891 -18.3234 -18.3234 -18.2046 -18.2046 -17.4716 -17.4716 -0.8582 -0.8582 0.4363 0.4363 0.4755 0.4755 11.4966 11.4966 13.1633 13.1633 20.6884 20.6884 20.7958 20.7958 k = 0.5000 0.2766 0.2211 ( 1546 PWs) bands (ev): -46.3593 -46.3593 -19.0906 -19.0906 -18.3231 -18.3231 -18.2043 -18.2043 -17.4702 -17.4702 -0.8609 -0.8609 0.4386 0.4386 0.4775 0.4775 11.4868 11.4868 13.1612 13.1612 20.7472 20.7472 20.7985 20.7985 k = 0.5000 0.2827 0.2126 ( 1542 PWs) bands (ev): -46.3593 -46.3593 -19.0914 -19.0914 -18.3228 -18.3228 -18.2041 -18.2041 -17.4694 -17.4694 -0.8625 -0.8625 0.4399 0.4399 0.4787 0.4787 11.4809 11.4809 13.1600 13.1600 20.7811 20.7811 20.8025 20.8025 k = 0.5000 0.2887 0.2041 ( 1538 PWs) bands (ev): -46.3593 -46.3593 -19.0917 -19.0917 -18.3227 -18.3227 -18.2040 -18.2040 -17.4691 -17.4691 -0.8630 -0.8630 0.4404 0.4404 0.4792 0.4792 11.4789 11.4789 13.1595 13.1595 20.7895 20.7895 20.8070 20.8070 k = 0.5000 0.2887 0.2041 ( 1538 PWs) bands (ev): -46.3593 -46.3593 -19.0917 -19.0917 -18.3227 -18.3227 -18.2040 -18.2040 -17.4691 -17.4691 -0.8630 -0.8630 0.4404 0.4404 0.4792 0.4792 11.4789 11.4789 13.1595 13.1595 20.7895 20.7895 20.8070 20.8070 k = 0.4970 0.2870 0.2138 ( 1541 PWs) bands (ev): -46.3593 -46.3593 -19.0914 -19.0914 -18.3228 -18.3228 -18.2041 -18.2041 -17.4694 -17.4694 -0.8625 -0.8625 0.4399 0.4399 0.4787 0.4787 11.4808 11.4808 13.1599 13.1599 20.7813 20.7813 20.8026 20.8026 k = 0.4940 0.2852 0.2236 ( 1549 PWs) bands (ev): -46.3593 -46.3593 -19.0906 -19.0906 -18.3231 -18.3231 -18.2043 -18.2043 -17.4702 -17.4702 -0.8609 -0.8609 0.4386 0.4386 0.4775 0.4775 11.4866 11.4866 13.1612 13.1612 20.7481 20.7481 20.7986 20.7986 k = 0.4911 0.2835 0.2333 ( 1549 PWs) bands (ev): -46.3593 -46.3593 -19.0891 -19.0891 -18.3233 -18.3233 -18.2046 -18.2046 -17.4715 -17.4715 -0.8583 -0.8583 0.4364 0.4364 0.4755 0.4755 11.4963 11.4963 13.1633 13.1633 20.6902 20.6902 20.7962 20.7962 k = 0.4881 0.2818 0.2430 ( 1549 PWs) bands (ev): -46.3593 -46.3593 -19.0871 -19.0871 -18.3237 -18.3237 -18.2050 -18.2050 -17.4733 -17.4733 -0.8547 -0.8547 0.4332 0.4332 0.4730 0.4730 11.5097 11.5097 13.1662 13.1662 20.6118 20.6118 20.7939 20.7939 k = 0.4851 0.2801 0.2527 ( 1549 PWs) bands (ev): -46.3592 -46.3592 -19.0844 -19.0844 -18.3242 -18.3242 -18.2055 -18.2055 -17.4757 -17.4757 -0.8500 -0.8500 0.4287 0.4287 0.4701 0.4701 11.5270 11.5270 13.1699 13.1699 20.5159 20.5159 20.7911 20.7911 k = 0.4821 0.2784 0.2624 ( 1549 PWs) bands (ev): -46.3592 -46.3592 -19.0812 -19.0812 -18.3248 -18.3248 -18.2061 -18.2061 -17.4785 -17.4785 -0.8443 -0.8443 0.4230 0.4230 0.4669 0.4669 11.5479 11.5479 13.1745 13.1745 20.4053 20.4053 20.7879 20.7879 k = 0.4792 0.2766 0.2722 ( 1544 PWs) bands (ev): -46.3591 -46.3591 -19.0774 -19.0774 -18.3254 -18.3254 -18.2067 -18.2067 -17.4819 -17.4819 -0.8376 -0.8376 0.4158 0.4158 0.4637 0.4637 11.5726 11.5726 13.1800 13.1800 20.2828 20.2828 20.7842 20.7842 k = 0.4762 0.2749 0.2819 ( 1546 PWs) bands (ev): -46.3591 -46.3591 -19.0731 -19.0731 -18.3262 -18.3262 -18.2076 -18.2076 -17.4858 -17.4858 -0.8298 -0.8298 0.4071 0.4071 0.4604 0.4604 11.6009 11.6009 13.1862 13.1862 20.1506 20.1506 20.7801 20.7801 k = 0.4732 0.2732 0.2916 ( 1546 PWs) bands (ev): -46.3590 -46.3590 -19.0682 -19.0682 -18.3271 -18.3271 -18.2085 -18.2085 -17.4901 -17.4901 -0.8212 -0.8212 0.3969 0.3969 0.4572 0.4572 11.6327 11.6327 13.1934 13.1934 20.0108 20.0108 20.7755 20.7755 k = 0.4702 0.2715 0.3013 ( 1546 PWs) bands (ev): -46.3589 -46.3589 -19.0627 -19.0627 -18.3281 -18.3281 -18.2095 -18.2095 -17.4949 -17.4949 -0.8115 -0.8115 0.3853 0.3853 0.4539 0.4539 11.6680 11.6680 13.2014 13.2014 19.8650 19.8650 20.7706 20.7706 k = 0.4673 0.2698 0.3110 ( 1550 PWs) bands (ev): -46.3589 -46.3589 -19.0568 -19.0568 -18.3293 -18.3293 -18.2106 -18.2106 -17.5002 -17.5002 -0.8010 -0.8010 0.3724 0.3724 0.4507 0.4507 11.7067 11.7067 13.2102 13.2102 19.7145 19.7145 20.7653 20.7653 k = 0.4643 0.2681 0.3208 ( 1550 PWs) bands (ev): -46.3588 -46.3588 -19.0502 -19.0502 -18.3305 -18.3305 -18.2118 -18.2118 -17.5060 -17.5060 -0.7895 -0.7895 0.3582 0.3582 0.4475 0.4475 11.7486 11.7486 13.2200 13.2200 19.5606 19.5606 20.7597 20.7597 k = 0.4613 0.2663 0.3305 ( 1553 PWs) bands (ev): -46.3587 -46.3587 -19.0432 -19.0432 -18.3318 -18.3318 -18.2131 -18.2131 -17.5121 -17.5121 -0.7772 -0.7772 0.3429 0.3429 0.4441 0.4441 11.7937 11.7937 13.2306 13.2306 19.4041 19.4041 20.7538 20.7538 k = 0.4583 0.2646 0.3402 ( 1557 PWs) bands (ev): -46.3586 -46.3586 -19.0357 -19.0357 -18.3333 -18.3333 -18.2145 -18.2145 -17.5187 -17.5187 -0.7639 -0.7639 0.3264 0.3264 0.4408 0.4408 11.8418 11.8418 13.2421 13.2421 19.2457 19.2457 20.7477 20.7477 k = 0.4554 0.2629 0.3499 ( 1553 PWs) bands (ev): -46.3585 -46.3585 -19.0277 -19.0277 -18.3348 -18.3348 -18.2158 -18.2158 -17.5257 -17.5257 -0.7499 -0.7499 0.3091 0.3091 0.4374 0.4374 11.8929 11.8929 13.2545 13.2545 19.0862 19.0862 20.7413 20.7413 k = 0.4524 0.2612 0.3596 ( 1555 PWs) bands (ev): -46.3584 -46.3584 -19.0192 -19.0192 -18.3365 -18.3365 -18.2174 -18.2174 -17.5331 -17.5331 -0.7350 -0.7350 0.2908 0.2908 0.4339 0.4339 11.9468 11.9468 13.2679 13.2679 18.9259 18.9259 20.7348 20.7348 k = 0.4494 0.2595 0.3694 ( 1563 PWs) bands (ev): -46.3583 -46.3583 -19.0103 -19.0103 -18.3383 -18.3383 -18.2190 -18.2190 -17.5409 -17.5409 -0.7194 -0.7194 0.2716 0.2716 0.4302 0.4302 12.0032 12.0032 13.2821 13.2821 18.7653 18.7653 20.7281 20.7281 k = 0.4464 0.2577 0.3791 ( 1563 PWs) bands (ev): -46.3582 -46.3582 -19.0009 -19.0009 -18.3401 -18.3401 -18.2206 -18.2206 -17.5490 -17.5490 -0.7031 -0.7031 0.2518 0.2518 0.4266 0.4266 12.0622 12.0622 13.2974 13.2974 18.6048 18.6048 20.7213 20.7213 k = 0.4435 0.2560 0.3888 ( 1561 PWs) bands (ev): -46.3580 -46.3580 -18.9911 -18.9911 -18.3420 -18.3420 -18.2222 -18.2222 -17.5575 -17.5575 -0.6860 -0.6860 0.2313 0.2313 0.4229 0.4229 12.1235 12.1235 13.3136 13.3136 18.4446 18.4446 20.7144 20.7144 k = 0.4405 0.2543 0.3985 ( 1561 PWs) bands (ev): -46.3579 -46.3579 -18.9810 -18.9810 -18.3439 -18.3439 -18.2239 -18.2239 -17.5662 -17.5662 -0.6683 -0.6683 0.2102 0.2102 0.4191 0.4191 12.1869 12.1869 13.3308 13.3308 18.2850 18.2850 20.7075 20.7075 k = 0.4375 0.2526 0.4082 ( 1561 PWs) bands (ev): -46.3578 -46.3578 -18.9705 -18.9705 -18.3460 -18.3460 -18.2256 -18.2256 -17.5753 -17.5753 -0.6501 -0.6501 0.1886 0.1886 0.4152 0.4152 12.2522 12.2522 13.3491 13.3491 18.1261 18.1261 20.7004 20.7004 k = 0.4345 0.2509 0.4180 ( 1559 PWs) bands (ev): -46.3577 -46.3577 -18.9596 -18.9596 -18.3482 -18.3482 -18.2273 -18.2273 -17.5846 -17.5846 -0.6312 -0.6312 0.1666 0.1666 0.4114 0.4114 12.3192 12.3192 13.3684 13.3684 17.9682 17.9682 20.6934 20.6934 k = 0.4315 0.2492 0.4277 ( 1559 PWs) bands (ev): -46.3575 -46.3575 -18.9484 -18.9484 -18.3504 -18.3504 -18.2291 -18.2291 -17.5941 -17.5941 -0.6118 -0.6118 0.1443 0.1443 0.4074 0.4074 12.3877 12.3877 13.3888 13.3888 17.8114 17.8114 20.6863 20.6863 k = 0.4286 0.2474 0.4374 ( 1559 PWs) bands (ev): -46.3574 -46.3574 -18.9369 -18.9369 -18.3527 -18.3527 -18.2309 -18.2309 -17.6039 -17.6039 -0.5920 -0.5920 0.1217 0.1217 0.4035 0.4035 12.4575 12.4575 13.4104 13.4104 17.6559 17.6559 20.6792 20.6792 k = 0.4256 0.2457 0.4471 ( 1559 PWs) bands (ev): -46.3573 -46.3573 -18.9252 -18.9252 -18.3551 -18.3551 -18.2327 -18.2327 -17.6138 -17.6138 -0.5718 -0.5718 0.0990 0.0990 0.3996 0.3996 12.5283 12.5283 13.4332 13.4332 17.5017 17.5017 20.6720 20.6720 k = 0.4226 0.2440 0.4568 ( 1563 PWs) bands (ev): -46.3572 -46.3572 -18.9133 -18.9133 -18.3576 -18.3576 -18.2345 -18.2345 -17.6240 -17.6240 -0.5512 -0.5512 0.0762 0.0762 0.3956 0.3956 12.5997 12.5997 13.4573 13.4573 17.3490 17.3490 20.6649 20.6649 k = 0.4196 0.2423 0.4666 ( 1564 PWs) bands (ev): -46.3570 -46.3570 -18.9012 -18.9012 -18.3601 -18.3601 -18.2363 -18.2363 -17.6342 -17.6342 -0.5304 -0.5304 0.0534 0.0534 0.3917 0.3917 12.6715 12.6715 13.4828 13.4828 17.1979 17.1979 20.6578 20.6578 k = 0.4167 0.2406 0.4763 ( 1566 PWs) bands (ev): -46.3569 -46.3569 -18.8889 -18.8889 -18.3626 -18.3626 -18.2381 -18.2381 -17.6446 -17.6446 -0.5094 -0.5094 0.0308 0.0308 0.3878 0.3878 12.7433 12.7433 13.5097 13.5097 17.0487 17.0487 20.6507 20.6507 k = 0.4137 0.2388 0.4860 ( 1564 PWs) bands (ev): -46.3568 -46.3568 -18.8765 -18.8765 -18.3652 -18.3652 -18.2398 -18.2398 -17.6550 -17.6550 -0.4882 -0.4882 0.0084 0.0084 0.3840 0.3840 12.8147 12.8147 13.5382 13.5382 16.9014 16.9014 20.6436 20.6436 k = 0.4107 0.2371 0.4957 ( 1562 PWs) bands (ev): -46.3567 -46.3567 -18.8641 -18.8641 -18.3677 -18.3677 -18.2415 -18.2415 -17.6654 -17.6654 -0.4671 -0.4671 -0.0136 -0.0136 0.3802 0.3802 12.8854 12.8854 13.5684 13.5684 16.7563 16.7563 20.6365 20.6365 k = 0.4077 0.2354 0.5055 ( 1562 PWs) bands (ev): -46.3566 -46.3566 -18.8516 -18.8516 -18.3703 -18.3703 -18.2432 -18.2432 -17.6759 -17.6759 -0.4461 -0.4461 -0.0350 -0.0350 0.3766 0.3766 12.9547 12.9547 13.6002 13.6002 16.6136 16.6136 20.6225 20.6225 k = 0.4048 0.2337 0.5152 ( 1563 PWs) bands (ev): -46.3564 -46.3564 -18.8392 -18.8392 -18.3729 -18.3729 -18.2448 -18.2448 -17.6864 -17.6864 -0.4254 -0.4254 -0.0557 -0.0557 0.3730 0.3730 13.0224 13.0224 13.6338 13.6338 16.4736 16.4736 20.5482 20.5482 k = 0.4018 0.2320 0.5249 ( 1563 PWs) bands (ev): -46.3563 -46.3563 -18.8268 -18.8268 -18.3754 -18.3754 -18.2464 -18.2464 -17.6969 -17.6969 -0.4054 -0.4054 -0.0754 -0.0754 0.3695 0.3695 13.0879 13.0879 13.6691 13.6691 16.3367 16.3367 20.4771 20.4771 k = 0.3988 0.2303 0.5346 ( 1565 PWs) bands (ev): -46.3562 -46.3562 -18.8146 -18.8146 -18.3778 -18.3778 -18.2479 -18.2479 -17.7072 -17.7072 -0.3862 -0.3862 -0.0938 -0.0938 0.3661 0.3661 13.1508 13.1508 13.7058 13.7058 16.2034 16.2034 20.4108 20.4108 k = 0.3958 0.2285 0.5443 ( 1561 PWs) bands (ev): -46.3561 -46.3561 -18.8025 -18.8025 -18.3801 -18.3801 -18.2493 -18.2493 -17.7175 -17.7175 -0.3684 -0.3684 -0.1102 -0.1102 0.3629 0.3629 13.2108 13.2108 13.7435 13.7435 16.0744 16.0744 20.3497 20.3497 k = 0.3929 0.2268 0.5541 ( 1563 PWs) bands (ev): -46.3561 -46.3561 -18.7907 -18.7907 -18.3824 -18.3824 -18.2507 -18.2507 -17.7276 -17.7276 -0.3526 -0.3526 -0.1242 -0.1242 0.3598 0.3598 13.2675 13.2675 13.7815 13.7815 15.9506 15.9506 20.2937 20.2937 k = 0.3899 0.2251 0.5638 ( 1563 PWs) bands (ev): -46.3560 -46.3560 -18.7792 -18.7792 -18.3845 -18.3845 -18.2520 -18.2520 -17.7376 -17.7376 -0.3398 -0.3398 -0.1347 -0.1347 0.3569 0.3569 13.3210 13.3210 13.8187 13.8187 15.8330 15.8330 20.2429 20.2429 k = 0.3869 0.2234 0.5735 ( 1565 PWs) bands (ev): -46.3559 -46.3559 -18.7682 -18.7682 -18.3864 -18.3864 -18.2532 -18.2532 -17.7473 -17.7473 -0.3310 -0.3310 -0.1407 -0.1407 0.3542 0.3542 13.3711 13.3711 13.8536 13.8536 15.7233 15.7233 20.1974 20.1974 k = 0.3839 0.2217 0.5832 ( 1564 PWs) bands (ev): -46.3559 -46.3559 -18.7575 -18.7575 -18.3881 -18.3881 -18.2544 -18.2544 -17.7568 -17.7568 -0.3270 -0.3270 -0.1414 -0.1414 0.3516 0.3516 13.4180 13.4180 13.8839 13.8839 15.6232 15.6232 20.1570 20.1570 k = 0.3810 0.2199 0.5929 ( 1566 PWs) bands (ev): -46.3558 -46.3558 -18.7474 -18.7474 -18.3896 -18.3896 -18.2554 -18.2554 -17.7661 -17.7661 -0.3279 -0.3279 -0.1367 -0.1367 0.3493 0.3493 13.4619 13.4619 13.9073 13.9073 15.5350 15.5350 20.1218 20.1218 k = 0.3780 0.2182 0.6027 ( 1568 PWs) bands (ev): -46.3558 -46.3558 -18.7379 -18.7379 -18.3907 -18.3907 -18.2563 -18.2563 -17.7750 -17.7750 -0.3331 -0.3331 -0.1271 -0.1271 0.3471 0.3471 13.5028 13.5028 13.9208 13.9208 15.4615 15.4615 20.0917 20.0917 k = 0.3750 0.2165 0.6124 ( 1568 PWs) bands (ev): -46.3557 -46.3557 -18.7291 -18.7291 -18.3916 -18.3916 -18.2571 -18.2571 -17.7836 -17.7836 -0.3414 -0.3414 -0.1138 -0.1138 0.3452 0.3452 13.5409 13.5409 13.9219 13.9219 15.4052 15.4052 20.0666 20.0666 k = 0.6250-0.0722 0.4082 ( 1568 PWs) bands (ev): -46.3557 -46.3557 -18.7291 -18.7291 -18.3916 -18.3916 -18.2571 -18.2571 -17.7836 -17.7836 -0.3414 -0.3414 -0.1138 -0.1138 0.3452 0.3452 13.5409 13.5409 13.9219 13.9219 15.4052 15.4052 20.0666 20.0666 k = 0.6198-0.0812 0.4082 ( 1568 PWs) bands (ev): -46.3557 -46.3557 -18.7140 -18.7140 -18.3927 -18.3927 -18.2583 -18.2583 -17.7986 -17.7986 -0.3578 -0.3578 -0.0879 -0.0879 0.3421 0.3421 13.6024 13.6024 13.9121 13.9121 15.3242 15.3242 20.0308 20.0308 k = 0.6146-0.0902 0.4082 ( 1568 PWs) bands (ev): -46.3556 -46.3556 -18.6986 -18.6986 -18.3937 -18.3937 -18.2595 -18.2595 -17.8141 -17.8141 -0.3738 -0.3738 -0.0619 -0.0619 0.3392 0.3392 13.6592 13.6592 13.9031 13.9031 15.2454 15.2454 20.0028 20.0028 k = 0.6094-0.0992 0.4082 ( 1564 PWs) bands (ev): -46.3556 -46.3556 -18.6829 -18.6829 -18.3945 -18.3945 -18.2606 -18.2606 -17.8301 -17.8301 -0.3891 -0.3891 -0.0358 -0.0358 0.3364 0.3364 13.7112 13.7112 13.8950 13.8950 15.1690 15.1690 19.9823 19.9823 k = 0.6042-0.1083 0.4082 ( 1564 PWs) bands (ev): -46.3556 -46.3556 -18.6670 -18.6670 -18.3952 -18.3952 -18.2617 -18.2617 -17.8465 -17.8465 -0.4040 -0.4040 -0.0099 -0.0099 0.3338 0.3338 13.7583 13.7583 13.8877 13.8877 15.0950 15.0950 19.9695 19.9695 k = 0.5990-0.1173 0.4082 ( 1558 PWs) bands (ev): -46.3555 -46.3555 -18.6508 -18.6508 -18.3956 -18.3956 -18.2628 -18.2628 -17.8632 -17.8632 -0.4183 -0.4183 0.0158 0.0158 0.3314 0.3314 13.8008 13.8008 13.8811 13.8811 15.0235 15.0235 19.9640 19.9640 k = 0.5938-0.1263 0.4082 ( 1566 PWs) bands (ev): -46.3555 -46.3555 -18.6346 -18.6346 -18.3959 -18.3959 -18.2638 -18.2638 -17.8804 -17.8804 -0.4319 -0.4319 0.0409 0.0409 0.3291 0.3291 13.8388 13.8388 13.8752 13.8752 14.9547 14.9547 19.9655 19.9655 k = 0.5885-0.1353 0.4082 ( 1580 PWs) bands (ev): -46.3555 -46.3555 -18.6183 -18.6183 -18.3960 -18.3960 -18.2649 -18.2649 -17.8981 -17.8981 -0.4450 -0.4450 0.0656 0.0656 0.3269 0.3269 13.8690 13.8690 13.8733 13.8733 14.8886 14.8886 19.9737 19.9737 k = 0.5833-0.1443 0.4082 ( 1580 PWs) bands (ev): -46.3555 -46.3555 -18.6019 -18.6019 -18.3956 -18.3956 -18.2658 -18.2658 -17.9159 -17.9159 -0.4574 -0.4574 0.0896 0.0896 0.3250 0.3250 13.8649 13.8649 13.9020 13.9020 14.8255 14.8255 19.9882 19.9882 k = 0.5781-0.1534 0.4082 ( 1580 PWs) bands (ev): -46.3555 -46.3555 -18.5856 -18.5856 -18.3948 -18.3948 -18.2667 -18.2667 -17.9341 -17.9341 -0.4692 -0.4692 0.1129 0.1129 0.3232 0.3232 13.8607 13.8607 13.9276 13.9276 14.7653 14.7653 20.0084 20.0084 k = 0.5729-0.1624 0.4082 ( 1580 PWs) bands (ev): -46.3555 -46.3555 -18.5696 -18.5696 -18.3935 -18.3935 -18.2675 -18.2675 -17.9526 -17.9526 -0.4802 -0.4802 0.1352 0.1352 0.3216 0.3216 13.8570 13.8570 13.9496 13.9496 14.7083 14.7083 20.0336 20.0336 k = 0.5677-0.1714 0.4082 ( 1580 PWs) bands (ev): -46.3555 -46.3555 -18.5539 -18.5539 -18.3914 -18.3914 -18.2682 -18.2682 -17.9713 -17.9713 -0.4906 -0.4906 0.1565 0.1565 0.3202 0.3202 13.8537 13.8537 13.9683 13.9683 14.6546 14.6546 20.0632 20.0632 k = 0.5625-0.1804 0.4082 ( 1570 PWs) bands (ev): -46.3555 -46.3555 -18.5387 -18.5387 -18.3885 -18.3885 -18.2688 -18.2688 -17.9901 -17.9901 -0.5002 -0.5002 0.1767 0.1767 0.3190 0.3190 13.8508 13.8508 13.9840 13.9840 14.6043 14.6043 20.0964 20.0964 k = 0.5573-0.1894 0.4082 ( 1570 PWs) bands (ev): -46.3555 -46.3555 -18.5246 -18.5246 -18.3845 -18.3845 -18.2694 -18.2694 -18.0092 -18.0092 -0.5091 -0.5091 0.1956 0.1956 0.3181 0.3181 13.8482 13.8482 13.9970 13.9970 14.5575 14.5575 20.1323 20.1323 k = 0.5521-0.1985 0.4082 ( 1568 PWs) bands (ev): -46.3555 -46.3555 -18.5115 -18.5115 -18.3792 -18.3792 -18.2699 -18.2699 -18.0285 -18.0285 -0.5173 -0.5173 0.2130 0.2130 0.3173 0.3173 13.8460 13.8460 14.0077 14.0077 14.5143 14.5143 20.1700 20.1700 k = 0.5469-0.2075 0.4082 ( 1568 PWs) bands (ev): -46.3555 -46.3555 -18.4999 -18.4999 -18.3724 -18.3724 -18.2702 -18.2702 -18.0478 -18.0478 -0.5247 -0.5247 0.2288 0.2288 0.3169 0.3169 13.8441 13.8441 14.0162 14.0162 14.4749 14.4749 20.2084 20.2084 k = 0.5417-0.2165 0.4082 ( 1572 PWs) bands (ev): -46.3555 -46.3555 -18.4901 -18.4901 -18.3639 -18.3639 -18.2705 -18.2705 -18.0673 -18.0673 -0.5314 -0.5314 0.2429 0.2429 0.3169 0.3169 13.8425 13.8425 14.0230 14.0230 14.4394 14.4394 20.2467 20.2467 k = 0.5365-0.2255 0.4082 ( 1572 PWs) bands (ev): -46.3555 -46.3555 -18.4819 -18.4819 -18.3538 -18.3538 -18.2704 -18.2704 -18.0867 -18.0867 -0.5373 -0.5373 0.2551 0.2551 0.3173 0.3173 13.8411 13.8411 14.0283 14.0283 14.4078 14.4078 20.2837 20.2837 k = 0.5312-0.2345 0.4082 ( 1572 PWs) bands (ev): -46.3555 -46.3555 -18.4753 -18.4753 -18.3423 -18.3423 -18.2700 -18.2700 -18.1060 -18.1060 -0.5425 -0.5425 0.2653 0.2653 0.3182 0.3182 13.8399 13.8399 14.0323 14.0323 14.3803 14.3803 20.3183 20.3183 k = 0.5260-0.2436 0.4082 ( 1580 PWs) bands (ev): -46.3555 -46.3555 -18.4704 -18.4704 -18.3301 -18.3301 -18.2690 -18.2690 -18.1252 -18.1252 -0.5468 -0.5468 0.2733 0.2733 0.3196 0.3196 13.8390 13.8390 14.0352 14.0352 14.3569 14.3569 20.3494 20.3494 k = 0.5208-0.2526 0.4082 ( 1582 PWs) bands (ev): -46.3555 -46.3555 -18.4667 -18.4667 -18.3177 -18.3177 -18.2670 -18.2670 -18.1440 -18.1440 -0.5504 -0.5504 0.2792 0.2792 0.3215 0.3215 13.8382 13.8382 14.0373 14.0373 14.3377 14.3377 20.3757 20.3757 k = 0.5156-0.2616 0.4082 ( 1582 PWs) bands (ev): -46.3555 -46.3555 -18.4640 -18.4640 -18.3066 -18.3066 -18.2633 -18.2633 -18.1620 -18.1620 -0.5532 -0.5532 0.2834 0.2834 0.3235 0.3235 13.8377 13.8377 14.0388 14.0388 14.3228 14.3228 20.3960 20.3960 k = 0.5104-0.2706 0.4082 ( 1584 PWs) bands (ev): -46.3555 -46.3555 -18.4623 -18.4623 -18.2984 -18.2984 -18.2570 -18.2570 -18.1788 -18.1788 -0.5552 -0.5552 0.2860 0.2860 0.3253 0.3253 13.8373 13.8373 14.0397 14.0397 14.3121 14.3121 20.4092 20.4092 k = 0.5052-0.2797 0.4082 ( 1588 PWs) bands (ev): -46.3555 -46.3555 -18.4613 -18.4613 -18.2938 -18.2938 -18.2492 -18.2492 -18.1924 -18.1924 -0.5564 -0.5564 0.2874 0.2874 0.3266 0.3266 13.8370 13.8370 14.0402 14.0402 14.3057 14.3057 20.4155 20.4155 k = 0.5000-0.2887 0.4082 ( 1588 PWs) bands (ev): -46.3555 -46.3555 -18.4610 -18.4610 -18.2924 -18.2924 -18.2451 -18.2451 -18.1984 -18.1984 -0.5568 -0.5568 0.2878 0.2878 0.3270 0.3270 13.8369 13.8369 14.0404 14.0404 14.3035 14.3035 20.4172 20.4172 Writing output data file NaF.save init_run : 0.04s CPU 0.16s WALL ( 1 calls) electrons : 33.24s CPU 34.17s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 33.23s CPU 34.17s 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 : 0.00s CPU 0.01s WALL ( 447 calls) cegterg : 30.56s CPU 31.22s WALL ( 447 calls) Called by sum_band: Called by *egterg: h_psi : 14.35s CPU 14.72s WALL ( 5915 calls) s_psi : 0.16s CPU 0.17s WALL ( 5915 calls) g_psi : 0.02s CPU 0.04s WALL ( 5021 calls) cdiaghg : 15.78s CPU 16.20s WALL ( 5468 calls) cegterg:over : 0.84s CPU 0.92s WALL ( 5021 calls) cegterg:upda : 0.78s CPU 0.72s WALL ( 5021 calls) cegterg:last : 0.26s CPU 0.28s WALL ( 926 calls) cdiaghg:chol : 0.81s CPU 0.81s WALL ( 5468 calls) cdiaghg:inve : 0.28s CPU 0.29s WALL ( 5468 calls) cdiaghg:para : 0.96s CPU 1.03s WALL ( 10936 calls) Called by h_psi: h_psi:vloc : 13.75s CPU 14.10s WALL ( 5915 calls) h_psi:vnl : 0.56s CPU 0.59s WALL ( 5915 calls) add_vuspsi : 0.19s CPU 0.22s WALL ( 5915 calls) General routines calbec : 0.36s CPU 0.36s WALL ( 5915 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 13.10s CPU 13.39s WALL ( 334436 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.09s WALL ( 894 calls) Parallel routines fft_scatter : 6.20s CPU 6.52s WALL ( 334459 calls) PWSCF : 40.60s CPU 54.34s WALL This run was terminated on: 18:15:42 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=