Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 14:39:14 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: ./ScAlAg2.save/ file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P 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 58 29 8 1796 645 100 Max 59 30 9 1802 663 105 Sum 2107 1069 313 64767 23505 3695 bravais-lattice index = 14 lattice parameter (alat) = 8.7711 a.u. unit-cell volume = 477.1361 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 51.0000 Ry charge density cutoff = 402.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.771067 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 Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sc read from file: /users/gautes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1173 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ag 11.00 107.86820 Ag( 1.00) Sc 11.00 44.95590 Sc( 1.00) Al 3.00 26.98150 Al( 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= 320 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 2) = ( 0.0104167 -0.0060141 0.0085052), wk = 0.0031250 k( 3) = ( 0.0208333 -0.0120281 0.0170103), wk = 0.0031250 k( 4) = ( 0.0312500 -0.0180422 0.0255155), wk = 0.0031250 k( 5) = ( 0.0416667 -0.0240563 0.0340207), wk = 0.0031250 k( 6) = ( 0.0520833 -0.0300703 0.0425259), wk = 0.0031250 k( 7) = ( 0.0625000 -0.0360844 0.0510310), wk = 0.0031250 k( 8) = ( 0.0729167 -0.0420985 0.0595362), wk = 0.0031250 k( 9) = ( 0.0833333 -0.0481125 0.0680414), wk = 0.0031250 k( 10) = ( 0.0937500 -0.0541266 0.0765466), wk = 0.0031250 k( 11) = ( 0.1041667 -0.0601407 0.0850517), wk = 0.0031250 k( 12) = ( 0.1145833 -0.0661547 0.0935569), wk = 0.0031250 k( 13) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0031250 k( 14) = ( 0.1354167 -0.0781829 0.1105672), wk = 0.0031250 k( 15) = ( 0.1458333 -0.0841969 0.1190724), wk = 0.0031250 k( 16) = ( 0.1562500 -0.0902110 0.1275776), wk = 0.0031250 k( 17) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0031250 k( 18) = ( 0.1770833 -0.1022391 0.1445879), wk = 0.0031250 k( 19) = ( 0.1875000 -0.1082532 0.1530931), wk = 0.0031250 k( 20) = ( 0.1979167 -0.1142672 0.1615983), wk = 0.0031250 k( 21) = ( 0.2083333 -0.1202813 0.1701035), wk = 0.0031250 k( 22) = ( 0.2187500 -0.1262954 0.1786086), wk = 0.0031250 k( 23) = ( 0.2291667 -0.1323094 0.1871138), wk = 0.0031250 k( 24) = ( 0.2395833 -0.1383235 0.1956190), wk = 0.0031250 k( 25) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0031250 k( 26) = ( 0.2604167 -0.1503516 0.2126293), wk = 0.0031250 k( 27) = ( 0.2708333 -0.1563657 0.2211345), wk = 0.0031250 k( 28) = ( 0.2812500 -0.1623798 0.2296397), wk = 0.0031250 k( 29) = ( 0.2916667 -0.1683938 0.2381448), wk = 0.0031250 k( 30) = ( 0.3020833 -0.1744079 0.2466500), wk = 0.0031250 k( 31) = ( 0.3125000 -0.1804220 0.2551552), wk = 0.0031250 k( 32) = ( 0.3229167 -0.1864360 0.2636604), wk = 0.0031250 k( 33) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0031250 k( 34) = ( 0.3437500 -0.1984642 0.2806707), wk = 0.0031250 k( 35) = ( 0.3541667 -0.2044782 0.2891759), wk = 0.0031250 k( 36) = ( 0.3645833 -0.2104923 0.2976810), wk = 0.0031250 k( 37) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0031250 k( 38) = ( 0.3854167 -0.2225204 0.3146914), wk = 0.0031250 k( 39) = ( 0.3958333 -0.2285345 0.3231966), wk = 0.0031250 k( 40) = ( 0.4062500 -0.2345485 0.3317017), wk = 0.0031250 k( 41) = ( 0.4166667 -0.2405626 0.3402069), wk = 0.0031250 k( 42) = ( 0.4270833 -0.2465767 0.3487121), wk = 0.0031250 k( 43) = ( 0.4375000 -0.2525907 0.3572173), wk = 0.0031250 k( 44) = ( 0.4479167 -0.2586048 0.3657224), wk = 0.0031250 k( 45) = ( 0.4583333 -0.2646189 0.3742276), wk = 0.0031250 k( 46) = ( 0.4687500 -0.2706329 0.3827328), wk = 0.0031250 k( 47) = ( 0.4791667 -0.2766470 0.3912379), wk = 0.0031250 k( 48) = ( 0.4895833 -0.2826611 0.3997431), wk = 0.0031250 k( 49) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031250 k( 50) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031250 k( 51) = ( 0.5000000 -0.2766470 0.4167535), wk = 0.0031250 k( 52) = ( 0.5000000 -0.2646189 0.4252586), wk = 0.0031250 k( 53) = ( 0.5000000 -0.2525907 0.4337638), wk = 0.0031250 k( 54) = ( 0.5000000 -0.2405626 0.4422690), wk = 0.0031250 k( 55) = ( 0.5000000 -0.2285345 0.4507742), wk = 0.0031250 k( 56) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0031250 k( 57) = ( 0.5000000 -0.2044782 0.4677845), wk = 0.0031250 k( 58) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0031250 k( 59) = ( 0.5000000 -0.1804220 0.4847948), wk = 0.0031250 k( 60) = ( 0.5000000 -0.1683938 0.4933000), wk = 0.0031250 k( 61) = ( 0.5000000 -0.1563657 0.5018052), wk = 0.0031250 k( 62) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0031250 k( 63) = ( 0.5000000 -0.1323094 0.5188155), wk = 0.0031250 k( 64) = ( 0.5000000 -0.1202813 0.5273207), wk = 0.0031250 k( 65) = ( 0.5000000 -0.1082532 0.5358259), wk = 0.0031250 k( 66) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0031250 k( 67) = ( 0.5000000 -0.0841969 0.5528362), wk = 0.0031250 k( 68) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0031250 k( 69) = ( 0.5000000 -0.0601406 0.5698466), wk = 0.0031250 k( 70) = ( 0.5000000 -0.0481125 0.5783517), wk = 0.0031250 k( 71) = ( 0.5000000 -0.0360844 0.5868569), wk = 0.0031250 k( 72) = ( 0.5000000 -0.0240563 0.5953621), wk = 0.0031250 k( 73) = ( 0.5000000 -0.0120281 0.6038673), wk = 0.0031250 k( 74) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0031250 k( 75) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0031250 k( 76) = ( 0.4926471 0.0127357 0.6123724), wk = 0.0031250 k( 77) = ( 0.4852941 0.0254713 0.6123724), wk = 0.0031250 k( 78) = ( 0.4779412 0.0382070 0.6123724), wk = 0.0031250 k( 79) = ( 0.4705882 0.0509427 0.6123724), wk = 0.0031250 k( 80) = ( 0.4632353 0.0636783 0.6123724), wk = 0.0031250 k( 81) = ( 0.4558823 0.0764140 0.6123724), wk = 0.0031250 k( 82) = ( 0.4485294 0.0891497 0.6123724), wk = 0.0031250 k( 83) = ( 0.4411765 0.1018853 0.6123724), wk = 0.0031250 k( 84) = ( 0.4338235 0.1146210 0.6123724), wk = 0.0031250 k( 85) = ( 0.4264706 0.1273567 0.6123724), wk = 0.0031250 k( 86) = ( 0.4191177 0.1400923 0.6123724), wk = 0.0031250 k( 87) = ( 0.4117647 0.1528280 0.6123724), wk = 0.0031250 k( 88) = ( 0.4044118 0.1655637 0.6123724), wk = 0.0031250 k( 89) = ( 0.3970588 0.1782994 0.6123724), wk = 0.0031250 k( 90) = ( 0.3897059 0.1910350 0.6123724), wk = 0.0031250 k( 91) = ( 0.3823529 0.2037707 0.6123724), wk = 0.0031250 k( 92) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031250 k( 93) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031250 k( 94) = ( 0.3676471 0.2122611 0.6003651), wk = 0.0031250 k( 95) = ( 0.3602941 0.2080159 0.5883578), wk = 0.0031250 k( 96) = ( 0.3529412 0.2037707 0.5763505), wk = 0.0031250 k( 97) = ( 0.3455882 0.1995255 0.5643432), wk = 0.0031250 k( 98) = ( 0.3382353 0.1952802 0.5523359), wk = 0.0031250 k( 99) = ( 0.3308823 0.1910350 0.5403286), wk = 0.0031250 k( 100) = ( 0.3235294 0.1867898 0.5283213), wk = 0.0031250 k( 101) = ( 0.3161765 0.1825446 0.5163140), wk = 0.0031250 k( 102) = ( 0.3088235 0.1782993 0.5043067), wk = 0.0031250 k( 103) = ( 0.3014706 0.1740541 0.4922994), wk = 0.0031250 k( 104) = ( 0.2941177 0.1698089 0.4802921), wk = 0.0031250 k( 105) = ( 0.2867647 0.1655637 0.4682848), wk = 0.0031250 k( 106) = ( 0.2794118 0.1613185 0.4562775), wk = 0.0031250 k( 107) = ( 0.2720588 0.1570732 0.4442702), wk = 0.0031250 k( 108) = ( 0.2647059 0.1528280 0.4322629), wk = 0.0031250 k( 109) = ( 0.2573529 0.1485828 0.4202556), wk = 0.0031250 k( 110) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0031250 k( 111) = ( 0.2426471 0.1400923 0.3962410), wk = 0.0031250 k( 112) = ( 0.2352941 0.1358471 0.3842337), wk = 0.0031250 k( 113) = ( 0.2279412 0.1316019 0.3722264), wk = 0.0031250 k( 114) = ( 0.2205882 0.1273567 0.3602191), wk = 0.0031250 k( 115) = ( 0.2132353 0.1231115 0.3482118), wk = 0.0031250 k( 116) = ( 0.2058823 0.1188662 0.3362045), wk = 0.0031250 k( 117) = ( 0.1985294 0.1146210 0.3241972), wk = 0.0031250 k( 118) = ( 0.1911765 0.1103758 0.3121899), wk = 0.0031250 k( 119) = ( 0.1838235 0.1061306 0.3001826), wk = 0.0031250 k( 120) = ( 0.1764706 0.1018853 0.2881753), wk = 0.0031250 k( 121) = ( 0.1691177 0.0976401 0.2761680), wk = 0.0031250 k( 122) = ( 0.1617647 0.0933949 0.2641607), wk = 0.0031250 k( 123) = ( 0.1544118 0.0891497 0.2521534), wk = 0.0031250 k( 124) = ( 0.1470588 0.0849044 0.2401461), wk = 0.0031250 k( 125) = ( 0.1397059 0.0806592 0.2281387), wk = 0.0031250 k( 126) = ( 0.1323529 0.0764140 0.2161314), wk = 0.0031250 k( 127) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0031250 k( 128) = ( 0.1176471 0.0679236 0.1921168), wk = 0.0031250 k( 129) = ( 0.1102941 0.0636783 0.1801095), wk = 0.0031250 k( 130) = ( 0.1029412 0.0594331 0.1681022), wk = 0.0031250 k( 131) = ( 0.0955882 0.0551879 0.1560949), wk = 0.0031250 k( 132) = ( 0.0882353 0.0509427 0.1440876), wk = 0.0031250 k( 133) = ( 0.0808824 0.0466974 0.1320803), wk = 0.0031250 k( 134) = ( 0.0735294 0.0424522 0.1200730), wk = 0.0031250 k( 135) = ( 0.0661765 0.0382070 0.1080657), wk = 0.0031250 k( 136) = ( 0.0588235 0.0339618 0.0960584), wk = 0.0031250 k( 137) = ( 0.0514706 0.0297166 0.0840511), wk = 0.0031250 k( 138) = ( 0.0441177 0.0254713 0.0720438), wk = 0.0031250 k( 139) = ( 0.0367647 0.0212261 0.0600365), wk = 0.0031250 k( 140) = ( 0.0294118 0.0169809 0.0480292), wk = 0.0031250 k( 141) = ( 0.0220588 0.0127357 0.0360219), wk = 0.0031250 k( 142) = ( 0.0147059 0.0084904 0.0240146), wk = 0.0031250 k( 143) = ( 0.0073529 0.0042452 0.0120073), wk = 0.0031250 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 146) = ( 0.0119048 0.0068732 0.0048601), wk = 0.0031250 k( 147) = ( 0.0238095 0.0137464 0.0097202), wk = 0.0031250 k( 148) = ( 0.0357143 0.0206197 0.0145803), wk = 0.0031250 k( 149) = ( 0.0476191 0.0274929 0.0194404), wk = 0.0031250 k( 150) = ( 0.0595238 0.0343661 0.0243005), wk = 0.0031250 k( 151) = ( 0.0714286 0.0412393 0.0291606), wk = 0.0031250 k( 152) = ( 0.0833333 0.0481125 0.0340207), wk = 0.0031250 k( 153) = ( 0.0952381 0.0549857 0.0388808), wk = 0.0031250 k( 154) = ( 0.1071429 0.0618590 0.0437409), wk = 0.0031250 k( 155) = ( 0.1190476 0.0687322 0.0486010), wk = 0.0031250 k( 156) = ( 0.1309524 0.0756054 0.0534611), wk = 0.0031250 k( 157) = ( 0.1428571 0.0824786 0.0583212), wk = 0.0031250 k( 158) = ( 0.1547619 0.0893518 0.0631813), wk = 0.0031250 k( 159) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0031250 k( 160) = ( 0.1785714 0.1030983 0.0729015), wk = 0.0031250 k( 161) = ( 0.1904762 0.1099715 0.0777616), wk = 0.0031250 k( 162) = ( 0.2023810 0.1168447 0.0826217), wk = 0.0031250 k( 163) = ( 0.2142857 0.1237179 0.0874818), wk = 0.0031250 k( 164) = ( 0.2261905 0.1305911 0.0923419), wk = 0.0031250 k( 165) = ( 0.2380952 0.1374644 0.0972020), wk = 0.0031250 k( 166) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0031250 k( 167) = ( 0.2619048 0.1512108 0.1069222), wk = 0.0031250 k( 168) = ( 0.2738095 0.1580840 0.1117823), wk = 0.0031250 k( 169) = ( 0.2857143 0.1649572 0.1166424), wk = 0.0031250 k( 170) = ( 0.2976190 0.1718304 0.1215025), wk = 0.0031250 k( 171) = ( 0.3095238 0.1787037 0.1263626), wk = 0.0031250 k( 172) = ( 0.3214286 0.1855769 0.1312227), wk = 0.0031250 k( 173) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0031250 k( 174) = ( 0.3452381 0.1993233 0.1409429), wk = 0.0031250 k( 175) = ( 0.3571429 0.2061965 0.1458030), wk = 0.0031250 k( 176) = ( 0.3690476 0.2130697 0.1506631), wk = 0.0031250 k( 177) = ( 0.3809524 0.2199430 0.1555232), wk = 0.0031250 k( 178) = ( 0.3928571 0.2268162 0.1603833), wk = 0.0031250 k( 179) = ( 0.4047619 0.2336894 0.1652434), wk = 0.0031250 k( 180) = ( 0.4166667 0.2405626 0.1701035), wk = 0.0031250 k( 181) = ( 0.4285714 0.2474358 0.1749636), wk = 0.0031250 k( 182) = ( 0.4404762 0.2543090 0.1798237), wk = 0.0031250 k( 183) = ( 0.4523810 0.2611823 0.1846837), wk = 0.0031250 k( 184) = ( 0.4642857 0.2680555 0.1895438), wk = 0.0031250 k( 185) = ( 0.4761905 0.2749287 0.1944039), wk = 0.0031250 k( 186) = ( 0.4880952 0.2818019 0.1992640), wk = 0.0031250 k( 187) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031250 k( 188) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031250 k( 189) = ( 0.5041667 0.2766470 0.2109283), wk = 0.0031250 k( 190) = ( 0.5083333 0.2646189 0.2177324), wk = 0.0031250 k( 191) = ( 0.5125000 0.2525907 0.2245366), wk = 0.0031250 k( 192) = ( 0.5166667 0.2405626 0.2313407), wk = 0.0031250 k( 193) = ( 0.5208333 0.2285345 0.2381448), wk = 0.0031250 k( 194) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0031250 k( 195) = ( 0.5291667 0.2044782 0.2517531), wk = 0.0031250 k( 196) = ( 0.5333333 0.1924501 0.2585572), wk = 0.0031250 k( 197) = ( 0.5375000 0.1804220 0.2653614), wk = 0.0031250 k( 198) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0031250 k( 199) = ( 0.5458333 0.1563657 0.2789697), wk = 0.0031250 k( 200) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0031250 k( 201) = ( 0.5541667 0.1323094 0.2925779), wk = 0.0031250 k( 202) = ( 0.5583333 0.1202813 0.2993821), wk = 0.0031250 k( 203) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0031250 k( 204) = ( 0.5666667 0.0962250 0.3129904), wk = 0.0031250 k( 205) = ( 0.5708333 0.0841969 0.3197945), wk = 0.0031250 k( 206) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0031250 k( 207) = ( 0.5791667 0.0601407 0.3334028), wk = 0.0031250 k( 208) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0031250 k( 209) = ( 0.5875000 0.0360844 0.3470110), wk = 0.0031250 k( 210) = ( 0.5916667 0.0240563 0.3538152), wk = 0.0031250 k( 211) = ( 0.5958333 0.0120281 0.3606193), wk = 0.0031250 k( 212) = ( 0.6000000 -0.0000000 0.3674235), wk = 0.0031250 k( 213) = ( 0.6041667 -0.0120281 0.3742276), wk = 0.0031250 k( 214) = ( 0.6083333 -0.0240563 0.3810317), wk = 0.0031250 k( 215) = ( 0.6125000 -0.0360844 0.3878359), wk = 0.0031250 k( 216) = ( 0.6166667 -0.0481125 0.3946400), wk = 0.0031250 k( 217) = ( 0.6208333 -0.0601407 0.4014442), wk = 0.0031250 k( 218) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031250 k( 219) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031250 k( 220) = ( 0.6176471 -0.0679236 0.4202556), wk = 0.0031250 k( 221) = ( 0.6102941 -0.0636783 0.4322629), wk = 0.0031250 k( 222) = ( 0.6029412 -0.0594331 0.4442702), wk = 0.0031250 k( 223) = ( 0.5955882 -0.0551879 0.4562775), wk = 0.0031250 k( 224) = ( 0.5882353 -0.0509427 0.4682848), wk = 0.0031250 k( 225) = ( 0.5808823 -0.0466974 0.4802921), wk = 0.0031250 k( 226) = ( 0.5735294 -0.0424522 0.4922994), wk = 0.0031250 k( 227) = ( 0.5661765 -0.0382070 0.5043067), wk = 0.0031250 k( 228) = ( 0.5588235 -0.0339618 0.5163140), wk = 0.0031250 k( 229) = ( 0.5514706 -0.0297166 0.5283213), wk = 0.0031250 k( 230) = ( 0.5441177 -0.0254713 0.5403286), wk = 0.0031250 k( 231) = ( 0.5367647 -0.0212261 0.5523359), wk = 0.0031250 k( 232) = ( 0.5294118 -0.0169809 0.5643432), wk = 0.0031250 k( 233) = ( 0.5220588 -0.0127357 0.5763505), wk = 0.0031250 k( 234) = ( 0.5147059 -0.0084904 0.5883578), wk = 0.0031250 k( 235) = ( 0.5073529 -0.0042452 0.6003651), wk = 0.0031250 k( 236) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0031250 k( 237) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0031250 k( 238) = ( 0.5000000 0.0084904 0.6003651), wk = 0.0031250 k( 239) = ( 0.5000000 0.0169809 0.5883578), wk = 0.0031250 k( 240) = ( 0.5000000 0.0254713 0.5763505), wk = 0.0031250 k( 241) = ( 0.5000000 0.0339618 0.5643432), wk = 0.0031250 k( 242) = ( 0.5000000 0.0424522 0.5523359), wk = 0.0031250 k( 243) = ( 0.5000000 0.0509427 0.5403286), wk = 0.0031250 k( 244) = ( 0.5000000 0.0594331 0.5283213), wk = 0.0031250 k( 245) = ( 0.5000000 0.0679236 0.5163140), wk = 0.0031250 k( 246) = ( 0.5000000 0.0764140 0.5043067), wk = 0.0031250 k( 247) = ( 0.5000000 0.0849044 0.4922994), wk = 0.0031250 k( 248) = ( 0.5000000 0.0933949 0.4802921), wk = 0.0031250 k( 249) = ( 0.5000000 0.1018853 0.4682848), wk = 0.0031250 k( 250) = ( 0.5000000 0.1103758 0.4562775), wk = 0.0031250 k( 251) = ( 0.5000000 0.1188662 0.4442702), wk = 0.0031250 k( 252) = ( 0.5000000 0.1273567 0.4322629), wk = 0.0031250 k( 253) = ( 0.5000000 0.1358471 0.4202556), wk = 0.0031250 k( 254) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0031250 k( 255) = ( 0.5000000 0.1528280 0.3962410), wk = 0.0031250 k( 256) = ( 0.5000000 0.1613185 0.3842337), wk = 0.0031250 k( 257) = ( 0.5000000 0.1698089 0.3722264), wk = 0.0031250 k( 258) = ( 0.5000000 0.1782993 0.3602191), wk = 0.0031250 k( 259) = ( 0.5000000 0.1867898 0.3482118), wk = 0.0031250 k( 260) = ( 0.5000000 0.1952802 0.3362045), wk = 0.0031250 k( 261) = ( 0.5000000 0.2037707 0.3241972), wk = 0.0031250 k( 262) = ( 0.5000000 0.2122611 0.3121899), wk = 0.0031250 k( 263) = ( 0.5000000 0.2207516 0.3001826), wk = 0.0031250 k( 264) = ( 0.5000000 0.2292420 0.2881753), wk = 0.0031250 k( 265) = ( 0.5000000 0.2377325 0.2761680), wk = 0.0031250 k( 266) = ( 0.5000000 0.2462229 0.2641607), wk = 0.0031250 k( 267) = ( 0.5000000 0.2547134 0.2521533), wk = 0.0031250 k( 268) = ( 0.5000000 0.2632038 0.2401460), wk = 0.0031250 k( 269) = ( 0.5000000 0.2716942 0.2281387), wk = 0.0031250 k( 270) = ( 0.5000000 0.2801847 0.2161314), wk = 0.0031250 k( 271) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031250 k( 272) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031250 k( 273) = ( 0.4958333 0.2862695 0.2177324), wk = 0.0031250 k( 274) = ( 0.4916667 0.2838639 0.2313407), wk = 0.0031250 k( 275) = ( 0.4875000 0.2814583 0.2449490), wk = 0.0031250 k( 276) = ( 0.4833333 0.2790526 0.2585572), wk = 0.0031250 k( 277) = ( 0.4791667 0.2766470 0.2721655), wk = 0.0031250 k( 278) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0031250 k( 279) = ( 0.4708333 0.2718357 0.2993821), wk = 0.0031250 k( 280) = ( 0.4666667 0.2694301 0.3129904), wk = 0.0031250 k( 281) = ( 0.4625000 0.2670245 0.3265986), wk = 0.0031250 k( 282) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0031250 k( 283) = ( 0.4541667 0.2622132 0.3538152), wk = 0.0031250 k( 284) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0031250 k( 285) = ( 0.4458333 0.2574020 0.3810317), wk = 0.0031250 k( 286) = ( 0.4416667 0.2549964 0.3946400), wk = 0.0031250 k( 287) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0031250 k( 288) = ( 0.4333333 0.2501851 0.4218566), wk = 0.0031250 k( 289) = ( 0.4291667 0.2477795 0.4354648), wk = 0.0031250 k( 290) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0031250 k( 291) = ( 0.4208333 0.2429682 0.4626814), wk = 0.0031250 k( 292) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0031250 k( 293) = ( 0.4125000 0.2381570 0.4898979), wk = 0.0031250 k( 294) = ( 0.4083333 0.2357514 0.5035062), wk = 0.0031250 k( 295) = ( 0.4041667 0.2333457 0.5171145), wk = 0.0031250 k( 296) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0031250 k( 297) = ( 0.3958333 0.2285345 0.5443311), wk = 0.0031250 k( 298) = ( 0.3916667 0.2261289 0.5579393), wk = 0.0031250 k( 299) = ( 0.3875000 0.2237232 0.5715476), wk = 0.0031250 k( 300) = ( 0.3833333 0.2213176 0.5851559), wk = 0.0031250 k( 301) = ( 0.3791667 0.2189120 0.5987642), wk = 0.0031250 k( 302) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031250 k( 303) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031250 k( 304) = ( 0.6176471 -0.0849044 0.4082483), wk = 0.0031250 k( 305) = ( 0.6102941 -0.0976401 0.4082483), wk = 0.0031250 k( 306) = ( 0.6029412 -0.1103758 0.4082483), wk = 0.0031250 k( 307) = ( 0.5955882 -0.1231115 0.4082483), wk = 0.0031250 k( 308) = ( 0.5882353 -0.1358471 0.4082483), wk = 0.0031250 k( 309) = ( 0.5808823 -0.1485828 0.4082483), wk = 0.0031250 k( 310) = ( 0.5735294 -0.1613185 0.4082483), wk = 0.0031250 k( 311) = ( 0.5661765 -0.1740541 0.4082483), wk = 0.0031250 k( 312) = ( 0.5588235 -0.1867898 0.4082483), wk = 0.0031250 k( 313) = ( 0.5514706 -0.1995255 0.4082483), wk = 0.0031250 k( 314) = ( 0.5441177 -0.2122611 0.4082483), wk = 0.0031250 k( 315) = ( 0.5367647 -0.2249968 0.4082483), wk = 0.0031250 k( 316) = ( 0.5294118 -0.2377325 0.4082483), wk = 0.0031250 k( 317) = ( 0.5220588 -0.2504681 0.4082483), wk = 0.0031250 k( 318) = ( 0.5147059 -0.2632038 0.4082483), wk = 0.0031250 k( 319) = ( 0.5073529 -0.2759395 0.4082483), wk = 0.0031250 k( 320) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031250 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 2) = ( 0.0104167 -0.0000000 0.0104167), wk = 0.0031250 k( 3) = ( 0.0208333 0.0000000 0.0208333), wk = 0.0031250 k( 4) = ( 0.0312500 0.0000000 0.0312500), wk = 0.0031250 k( 5) = ( 0.0416667 -0.0000000 0.0416667), wk = 0.0031250 k( 6) = ( 0.0520833 -0.0000000 0.0520833), wk = 0.0031250 k( 7) = ( 0.0625000 0.0000000 0.0625000), wk = 0.0031250 k( 8) = ( 0.0729167 0.0000000 0.0729167), wk = 0.0031250 k( 9) = ( 0.0833333 -0.0000000 0.0833333), wk = 0.0031250 k( 10) = ( 0.0937500 -0.0000000 0.0937500), wk = 0.0031250 k( 11) = ( 0.1041667 -0.0000000 0.1041667), wk = 0.0031250 k( 12) = ( 0.1145833 -0.0000000 0.1145833), wk = 0.0031250 k( 13) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0031250 k( 14) = ( 0.1354167 0.0000000 0.1354167), wk = 0.0031250 k( 15) = ( 0.1458333 0.0000000 0.1458333), wk = 0.0031250 k( 16) = ( 0.1562500 -0.0000000 0.1562500), wk = 0.0031250 k( 17) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0031250 k( 18) = ( 0.1770833 -0.0000000 0.1770833), wk = 0.0031250 k( 19) = ( 0.1875000 -0.0000000 0.1875000), wk = 0.0031250 k( 20) = ( 0.1979167 -0.0000000 0.1979167), wk = 0.0031250 k( 21) = ( 0.2083333 -0.0000000 0.2083333), wk = 0.0031250 k( 22) = ( 0.2187500 -0.0000000 0.2187500), wk = 0.0031250 k( 23) = ( 0.2291667 0.0000000 0.2291667), wk = 0.0031250 k( 24) = ( 0.2395833 -0.0000000 0.2395833), wk = 0.0031250 k( 25) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0031250 k( 26) = ( 0.2604167 0.0000000 0.2604167), wk = 0.0031250 k( 27) = ( 0.2708333 0.0000000 0.2708333), wk = 0.0031250 k( 28) = ( 0.2812500 -0.0000000 0.2812500), wk = 0.0031250 k( 29) = ( 0.2916667 -0.0000000 0.2916667), wk = 0.0031250 k( 30) = ( 0.3020833 -0.0000000 0.3020833), wk = 0.0031250 k( 31) = ( 0.3125000 -0.0000000 0.3125000), wk = 0.0031250 k( 32) = ( 0.3229167 0.0000000 0.3229167), wk = 0.0031250 k( 33) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0031250 k( 34) = ( 0.3437500 0.0000000 0.3437500), wk = 0.0031250 k( 35) = ( 0.3541667 -0.0000000 0.3541667), wk = 0.0031250 k( 36) = ( 0.3645833 -0.0000000 0.3645833), wk = 0.0031250 k( 37) = ( 0.3750000 -0.0000000 0.3750000), wk = 0.0031250 k( 38) = ( 0.3854167 -0.0000000 0.3854167), wk = 0.0031250 k( 39) = ( 0.3958333 -0.0000000 0.3958333), wk = 0.0031250 k( 40) = ( 0.4062500 -0.0000000 0.4062500), wk = 0.0031250 k( 41) = ( 0.4166667 -0.0000000 0.4166667), wk = 0.0031250 k( 42) = ( 0.4270833 -0.0000000 0.4270833), wk = 0.0031250 k( 43) = ( 0.4375000 -0.0000000 0.4375000), wk = 0.0031250 k( 44) = ( 0.4479167 -0.0000000 0.4479167), wk = 0.0031250 k( 45) = ( 0.4583333 -0.0000000 0.4583333), wk = 0.0031250 k( 46) = ( 0.4687500 -0.0000000 0.4687500), wk = 0.0031250 k( 47) = ( 0.4791667 -0.0000000 0.4791667), wk = 0.0031250 k( 48) = ( 0.4895833 -0.0000000 0.4895833), wk = 0.0031250 k( 49) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031250 k( 50) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031250 k( 51) = ( 0.5000000 0.0104167 0.5104167), wk = 0.0031250 k( 52) = ( 0.5000000 0.0208333 0.5208333), wk = 0.0031250 k( 53) = ( 0.5000000 0.0312500 0.5312500), wk = 0.0031250 k( 54) = ( 0.5000000 0.0416667 0.5416667), wk = 0.0031250 k( 55) = ( 0.5000000 0.0520833 0.5520833), wk = 0.0031250 k( 56) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0031250 k( 57) = ( 0.5000000 0.0729167 0.5729167), wk = 0.0031250 k( 58) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0031250 k( 59) = ( 0.5000000 0.0937500 0.5937500), wk = 0.0031250 k( 60) = ( 0.5000000 0.1041667 0.6041667), wk = 0.0031250 k( 61) = ( 0.5000000 0.1145833 0.6145833), wk = 0.0031250 k( 62) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0031250 k( 63) = ( 0.5000000 0.1354167 0.6354167), wk = 0.0031250 k( 64) = ( 0.5000000 0.1458333 0.6458333), wk = 0.0031250 k( 65) = ( 0.5000000 0.1562500 0.6562500), wk = 0.0031250 k( 66) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0031250 k( 67) = ( 0.5000000 0.1770833 0.6770833), wk = 0.0031250 k( 68) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0031250 k( 69) = ( 0.5000000 0.1979167 0.6979167), wk = 0.0031250 k( 70) = ( 0.5000000 0.2083333 0.7083333), wk = 0.0031250 k( 71) = ( 0.5000000 0.2187500 0.7187500), wk = 0.0031250 k( 72) = ( 0.5000000 0.2291667 0.7291667), wk = 0.0031250 k( 73) = ( 0.5000000 0.2395833 0.7395833), wk = 0.0031250 k( 74) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031250 k( 75) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031250 k( 76) = ( 0.4926471 0.2573529 0.7500000), wk = 0.0031250 k( 77) = ( 0.4852941 0.2647059 0.7500000), wk = 0.0031250 k( 78) = ( 0.4779412 0.2720588 0.7500000), wk = 0.0031250 k( 79) = ( 0.4705882 0.2794118 0.7500000), wk = 0.0031250 k( 80) = ( 0.4632353 0.2867647 0.7500000), wk = 0.0031250 k( 81) = ( 0.4558823 0.2941177 0.7500000), wk = 0.0031250 k( 82) = ( 0.4485294 0.3014706 0.7500000), wk = 0.0031250 k( 83) = ( 0.4411765 0.3088235 0.7500000), wk = 0.0031250 k( 84) = ( 0.4338235 0.3161765 0.7500000), wk = 0.0031250 k( 85) = ( 0.4264706 0.3235294 0.7500000), wk = 0.0031250 k( 86) = ( 0.4191177 0.3308824 0.7500000), wk = 0.0031250 k( 87) = ( 0.4117647 0.3382353 0.7500000), wk = 0.0031250 k( 88) = ( 0.4044118 0.3455882 0.7500000), wk = 0.0031250 k( 89) = ( 0.3970588 0.3529412 0.7500000), wk = 0.0031250 k( 90) = ( 0.3897059 0.3602941 0.7500000), wk = 0.0031250 k( 91) = ( 0.3823529 0.3676471 0.7500000), wk = 0.0031250 k( 92) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031250 k( 93) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031250 k( 94) = ( 0.3676471 0.3676471 0.7352941), wk = 0.0031250 k( 95) = ( 0.3602941 0.3602941 0.7205882), wk = 0.0031250 k( 96) = ( 0.3529412 0.3529412 0.7058824), wk = 0.0031250 k( 97) = ( 0.3455882 0.3455882 0.6911765), wk = 0.0031250 k( 98) = ( 0.3382353 0.3382353 0.6764706), wk = 0.0031250 k( 99) = ( 0.3308823 0.3308824 0.6617647), wk = 0.0031250 k( 100) = ( 0.3235294 0.3235294 0.6470588), wk = 0.0031250 k( 101) = ( 0.3161765 0.3161765 0.6323529), wk = 0.0031250 k( 102) = ( 0.3088235 0.3088235 0.6176471), wk = 0.0031250 k( 103) = ( 0.3014706 0.3014706 0.6029412), wk = 0.0031250 k( 104) = ( 0.2941177 0.2941177 0.5882353), wk = 0.0031250 k( 105) = ( 0.2867647 0.2867647 0.5735294), wk = 0.0031250 k( 106) = ( 0.2794118 0.2794118 0.5588235), wk = 0.0031250 k( 107) = ( 0.2720588 0.2720588 0.5441177), wk = 0.0031250 k( 108) = ( 0.2647059 0.2647059 0.5294118), wk = 0.0031250 k( 109) = ( 0.2573529 0.2573529 0.5147059), wk = 0.0031250 k( 110) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0031250 k( 111) = ( 0.2426471 0.2426471 0.4852941), wk = 0.0031250 k( 112) = ( 0.2352941 0.2352941 0.4705882), wk = 0.0031250 k( 113) = ( 0.2279412 0.2279412 0.4558824), wk = 0.0031250 k( 114) = ( 0.2205882 0.2205882 0.4411765), wk = 0.0031250 k( 115) = ( 0.2132353 0.2132353 0.4264706), wk = 0.0031250 k( 116) = ( 0.2058823 0.2058823 0.4117647), wk = 0.0031250 k( 117) = ( 0.1985294 0.1985294 0.3970588), wk = 0.0031250 k( 118) = ( 0.1911765 0.1911765 0.3823529), wk = 0.0031250 k( 119) = ( 0.1838235 0.1838235 0.3676471), wk = 0.0031250 k( 120) = ( 0.1764706 0.1764706 0.3529412), wk = 0.0031250 k( 121) = ( 0.1691177 0.1691177 0.3382353), wk = 0.0031250 k( 122) = ( 0.1617647 0.1617647 0.3235294), wk = 0.0031250 k( 123) = ( 0.1544118 0.1544118 0.3088235), wk = 0.0031250 k( 124) = ( 0.1470588 0.1470588 0.2941177), wk = 0.0031250 k( 125) = ( 0.1397059 0.1397059 0.2794118), wk = 0.0031250 k( 126) = ( 0.1323529 0.1323529 0.2647059), wk = 0.0031250 k( 127) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0031250 k( 128) = ( 0.1176471 0.1176471 0.2352941), wk = 0.0031250 k( 129) = ( 0.1102941 0.1102941 0.2205882), wk = 0.0031250 k( 130) = ( 0.1029412 0.1029412 0.2058824), wk = 0.0031250 k( 131) = ( 0.0955882 0.0955882 0.1911765), wk = 0.0031250 k( 132) = ( 0.0882353 0.0882353 0.1764706), wk = 0.0031250 k( 133) = ( 0.0808824 0.0808824 0.1617647), wk = 0.0031250 k( 134) = ( 0.0735294 0.0735294 0.1470588), wk = 0.0031250 k( 135) = ( 0.0661765 0.0661765 0.1323529), wk = 0.0031250 k( 136) = ( 0.0588235 0.0588235 0.1176471), wk = 0.0031250 k( 137) = ( 0.0514706 0.0514706 0.1029412), wk = 0.0031250 k( 138) = ( 0.0441177 0.0441177 0.0882353), wk = 0.0031250 k( 139) = ( 0.0367647 0.0367647 0.0735294), wk = 0.0031250 k( 140) = ( 0.0294118 0.0294118 0.0588235), wk = 0.0031250 k( 141) = ( 0.0220588 0.0220588 0.0441177), wk = 0.0031250 k( 142) = ( 0.0147059 0.0147059 0.0294118), wk = 0.0031250 k( 143) = ( 0.0073529 0.0073529 0.0147059), wk = 0.0031250 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 146) = ( 0.0119048 0.0119048 0.0119048), wk = 0.0031250 k( 147) = ( 0.0238095 0.0238095 0.0238095), wk = 0.0031250 k( 148) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0031250 k( 149) = ( 0.0476191 0.0476191 0.0476191), wk = 0.0031250 k( 150) = ( 0.0595238 0.0595238 0.0595238), wk = 0.0031250 k( 151) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0031250 k( 152) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0031250 k( 153) = ( 0.0952381 0.0952381 0.0952381), wk = 0.0031250 k( 154) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0031250 k( 155) = ( 0.1190476 0.1190476 0.1190476), wk = 0.0031250 k( 156) = ( 0.1309524 0.1309524 0.1309524), wk = 0.0031250 k( 157) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0031250 k( 158) = ( 0.1547619 0.1547619 0.1547619), wk = 0.0031250 k( 159) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0031250 k( 160) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0031250 k( 161) = ( 0.1904762 0.1904762 0.1904762), wk = 0.0031250 k( 162) = ( 0.2023810 0.2023810 0.2023810), wk = 0.0031250 k( 163) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0031250 k( 164) = ( 0.2261905 0.2261905 0.2261905), wk = 0.0031250 k( 165) = ( 0.2380952 0.2380952 0.2380952), wk = 0.0031250 k( 166) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031250 k( 167) = ( 0.2619048 0.2619048 0.2619048), wk = 0.0031250 k( 168) = ( 0.2738095 0.2738095 0.2738095), wk = 0.0031250 k( 169) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0031250 k( 170) = ( 0.2976190 0.2976190 0.2976191), wk = 0.0031250 k( 171) = ( 0.3095238 0.3095238 0.3095238), wk = 0.0031250 k( 172) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0031250 k( 173) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0031250 k( 174) = ( 0.3452381 0.3452381 0.3452381), wk = 0.0031250 k( 175) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0031250 k( 176) = ( 0.3690476 0.3690476 0.3690476), wk = 0.0031250 k( 177) = ( 0.3809524 0.3809524 0.3809524), wk = 0.0031250 k( 178) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0031250 k( 179) = ( 0.4047619 0.4047619 0.4047619), wk = 0.0031250 k( 180) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0031250 k( 181) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0031250 k( 182) = ( 0.4404762 0.4404762 0.4404762), wk = 0.0031250 k( 183) = ( 0.4523810 0.4523810 0.4523810), wk = 0.0031250 k( 184) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0031250 k( 185) = ( 0.4761905 0.4761905 0.4761905), wk = 0.0031250 k( 186) = ( 0.4880952 0.4880952 0.4880952), wk = 0.0031250 k( 187) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031250 k( 188) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031250 k( 189) = ( 0.5041667 0.4916667 0.5041667), wk = 0.0031250 k( 190) = ( 0.5083333 0.4833333 0.5083333), wk = 0.0031250 k( 191) = ( 0.5125000 0.4750000 0.5125000), wk = 0.0031250 k( 192) = ( 0.5166667 0.4666667 0.5166667), wk = 0.0031250 k( 193) = ( 0.5208333 0.4583333 0.5208333), wk = 0.0031250 k( 194) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0031250 k( 195) = ( 0.5291667 0.4416667 0.5291667), wk = 0.0031250 k( 196) = ( 0.5333333 0.4333333 0.5333333), wk = 0.0031250 k( 197) = ( 0.5375000 0.4250000 0.5375000), wk = 0.0031250 k( 198) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0031250 k( 199) = ( 0.5458333 0.4083333 0.5458333), wk = 0.0031250 k( 200) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0031250 k( 201) = ( 0.5541667 0.3916667 0.5541667), wk = 0.0031250 k( 202) = ( 0.5583333 0.3833333 0.5583333), wk = 0.0031250 k( 203) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0031250 k( 204) = ( 0.5666667 0.3666667 0.5666667), wk = 0.0031250 k( 205) = ( 0.5708333 0.3583333 0.5708333), wk = 0.0031250 k( 206) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0031250 k( 207) = ( 0.5791667 0.3416667 0.5791667), wk = 0.0031250 k( 208) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0031250 k( 209) = ( 0.5875000 0.3250000 0.5875000), wk = 0.0031250 k( 210) = ( 0.5916667 0.3166667 0.5916667), wk = 0.0031250 k( 211) = ( 0.5958333 0.3083333 0.5958333), wk = 0.0031250 k( 212) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0031250 k( 213) = ( 0.6041667 0.2916667 0.6041667), wk = 0.0031250 k( 214) = ( 0.6083333 0.2833333 0.6083333), wk = 0.0031250 k( 215) = ( 0.6125000 0.2750000 0.6125000), wk = 0.0031250 k( 216) = ( 0.6166667 0.2666667 0.6166667), wk = 0.0031250 k( 217) = ( 0.6208333 0.2583333 0.6208333), wk = 0.0031250 k( 218) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031250 k( 219) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031250 k( 220) = ( 0.6176471 0.2500000 0.6323529), wk = 0.0031250 k( 221) = ( 0.6102941 0.2500000 0.6397059), wk = 0.0031250 k( 222) = ( 0.6029412 0.2500000 0.6470588), wk = 0.0031250 k( 223) = ( 0.5955882 0.2500000 0.6544118), wk = 0.0031250 k( 224) = ( 0.5882353 0.2500000 0.6617647), wk = 0.0031250 k( 225) = ( 0.5808823 0.2500000 0.6691177), wk = 0.0031250 k( 226) = ( 0.5735294 0.2500000 0.6764706), wk = 0.0031250 k( 227) = ( 0.5661765 0.2500000 0.6838235), wk = 0.0031250 k( 228) = ( 0.5588235 0.2500000 0.6911765), wk = 0.0031250 k( 229) = ( 0.5514706 0.2500000 0.6985294), wk = 0.0031250 k( 230) = ( 0.5441177 0.2500000 0.7058823), wk = 0.0031250 k( 231) = ( 0.5367647 0.2500000 0.7132353), wk = 0.0031250 k( 232) = ( 0.5294118 0.2500000 0.7205882), wk = 0.0031250 k( 233) = ( 0.5220588 0.2500000 0.7279412), wk = 0.0031250 k( 234) = ( 0.5147059 0.2500000 0.7352941), wk = 0.0031250 k( 235) = ( 0.5073529 0.2500000 0.7426471), wk = 0.0031250 k( 236) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031250 k( 237) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031250 k( 238) = ( 0.5000000 0.2573529 0.7426471), wk = 0.0031250 k( 239) = ( 0.5000000 0.2647059 0.7352941), wk = 0.0031250 k( 240) = ( 0.5000000 0.2720588 0.7279412), wk = 0.0031250 k( 241) = ( 0.5000000 0.2794118 0.7205882), wk = 0.0031250 k( 242) = ( 0.5000000 0.2867647 0.7132353), wk = 0.0031250 k( 243) = ( 0.5000000 0.2941177 0.7058823), wk = 0.0031250 k( 244) = ( 0.5000000 0.3014706 0.6985294), wk = 0.0031250 k( 245) = ( 0.5000000 0.3088235 0.6911765), wk = 0.0031250 k( 246) = ( 0.5000000 0.3161765 0.6838235), wk = 0.0031250 k( 247) = ( 0.5000000 0.3235294 0.6764706), wk = 0.0031250 k( 248) = ( 0.5000000 0.3308823 0.6691177), wk = 0.0031250 k( 249) = ( 0.5000000 0.3382353 0.6617647), wk = 0.0031250 k( 250) = ( 0.5000000 0.3455882 0.6544118), wk = 0.0031250 k( 251) = ( 0.5000000 0.3529412 0.6470588), wk = 0.0031250 k( 252) = ( 0.5000000 0.3602941 0.6397059), wk = 0.0031250 k( 253) = ( 0.5000000 0.3676471 0.6323529), wk = 0.0031250 k( 254) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0031250 k( 255) = ( 0.5000000 0.3823529 0.6176471), wk = 0.0031250 k( 256) = ( 0.5000000 0.3897059 0.6102941), wk = 0.0031250 k( 257) = ( 0.5000000 0.3970588 0.6029412), wk = 0.0031250 k( 258) = ( 0.5000000 0.4044118 0.5955882), wk = 0.0031250 k( 259) = ( 0.5000000 0.4117647 0.5882353), wk = 0.0031250 k( 260) = ( 0.5000000 0.4191177 0.5808824), wk = 0.0031250 k( 261) = ( 0.5000000 0.4264706 0.5735294), wk = 0.0031250 k( 262) = ( 0.5000000 0.4338235 0.5661765), wk = 0.0031250 k( 263) = ( 0.5000000 0.4411765 0.5588235), wk = 0.0031250 k( 264) = ( 0.5000000 0.4485294 0.5514706), wk = 0.0031250 k( 265) = ( 0.5000000 0.4558824 0.5441177), wk = 0.0031250 k( 266) = ( 0.5000000 0.4632353 0.5367647), wk = 0.0031250 k( 267) = ( 0.5000000 0.4705882 0.5294118), wk = 0.0031250 k( 268) = ( 0.5000000 0.4779412 0.5220588), wk = 0.0031250 k( 269) = ( 0.5000000 0.4852941 0.5147059), wk = 0.0031250 k( 270) = ( 0.5000000 0.4926471 0.5073529), wk = 0.0031250 k( 271) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031250 k( 272) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031250 k( 273) = ( 0.4958333 0.4958333 0.5083333), wk = 0.0031250 k( 274) = ( 0.4916667 0.4916667 0.5166667), wk = 0.0031250 k( 275) = ( 0.4875000 0.4875000 0.5250000), wk = 0.0031250 k( 276) = ( 0.4833333 0.4833333 0.5333333), wk = 0.0031250 k( 277) = ( 0.4791667 0.4791667 0.5416667), wk = 0.0031250 k( 278) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0031250 k( 279) = ( 0.4708333 0.4708333 0.5583333), wk = 0.0031250 k( 280) = ( 0.4666667 0.4666667 0.5666667), wk = 0.0031250 k( 281) = ( 0.4625000 0.4625000 0.5750000), wk = 0.0031250 k( 282) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0031250 k( 283) = ( 0.4541667 0.4541667 0.5916667), wk = 0.0031250 k( 284) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0031250 k( 285) = ( 0.4458333 0.4458333 0.6083333), wk = 0.0031250 k( 286) = ( 0.4416667 0.4416667 0.6166667), wk = 0.0031250 k( 287) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0031250 k( 288) = ( 0.4333333 0.4333333 0.6333333), wk = 0.0031250 k( 289) = ( 0.4291667 0.4291667 0.6416667), wk = 0.0031250 k( 290) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0031250 k( 291) = ( 0.4208333 0.4208333 0.6583333), wk = 0.0031250 k( 292) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0031250 k( 293) = ( 0.4125000 0.4125000 0.6750000), wk = 0.0031250 k( 294) = ( 0.4083333 0.4083333 0.6833333), wk = 0.0031250 k( 295) = ( 0.4041667 0.4041667 0.6916667), wk = 0.0031250 k( 296) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0031250 k( 297) = ( 0.3958333 0.3958333 0.7083333), wk = 0.0031250 k( 298) = ( 0.3916667 0.3916667 0.7166667), wk = 0.0031250 k( 299) = ( 0.3875000 0.3875000 0.7250000), wk = 0.0031250 k( 300) = ( 0.3833333 0.3833333 0.7333333), wk = 0.0031250 k( 301) = ( 0.3791667 0.3791667 0.7416667), wk = 0.0031250 k( 302) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031250 k( 303) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031250 k( 304) = ( 0.6176471 0.2352941 0.6176471), wk = 0.0031250 k( 305) = ( 0.6102941 0.2205882 0.6102941), wk = 0.0031250 k( 306) = ( 0.6029412 0.2058823 0.6029412), wk = 0.0031250 k( 307) = ( 0.5955882 0.1911765 0.5955882), wk = 0.0031250 k( 308) = ( 0.5882353 0.1764706 0.5882353), wk = 0.0031250 k( 309) = ( 0.5808823 0.1617647 0.5808823), wk = 0.0031250 k( 310) = ( 0.5735294 0.1470588 0.5735294), wk = 0.0031250 k( 311) = ( 0.5661765 0.1323529 0.5661765), wk = 0.0031250 k( 312) = ( 0.5588235 0.1176471 0.5588235), wk = 0.0031250 k( 313) = ( 0.5514706 0.1029412 0.5514706), wk = 0.0031250 k( 314) = ( 0.5441177 0.0882353 0.5441177), wk = 0.0031250 k( 315) = ( 0.5367647 0.0735294 0.5367647), wk = 0.0031250 k( 316) = ( 0.5294118 0.0588235 0.5294118), wk = 0.0031250 k( 317) = ( 0.5220588 0.0441176 0.5220588), wk = 0.0031250 k( 318) = ( 0.5147059 0.0294118 0.5147059), wk = 0.0031250 k( 319) = ( 0.5073529 0.0147059 0.5073529), wk = 0.0031250 k( 320) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031250 Dense grid: 64767 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 23505 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 162, 44) NL pseudopotentials 0.17 Mb ( 81, 136) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1802) G-vector shells 0.00 Mb ( 477) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.44 Mb ( 162, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.18 Mb ( 136, 2, 44) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./ScAlAg2.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 3.9 secs Computing kpt #: 4 total cpu time spent up to now is 4.3 secs Computing kpt #: 5 total cpu time spent up to now is 4.7 secs Computing kpt #: 6 total cpu time spent up to now is 5.0 secs Computing kpt #: 7 total cpu time spent up to now is 5.4 secs Computing kpt #: 8 total cpu time spent up to now is 5.8 secs Computing kpt #: 9 total cpu time spent up to now is 6.2 secs Computing kpt #: 10 total cpu time spent up to now is 6.6 secs Computing kpt #: 11 total cpu time spent up to now is 7.0 secs Computing kpt #: 12 total cpu time spent up to now is 7.3 secs Computing kpt #: 13 total cpu time spent up to now is 7.7 secs Computing kpt #: 14 total cpu time spent up to now is 8.1 secs Computing kpt #: 15 total cpu time spent up to now is 8.5 secs Computing kpt #: 16 total cpu time spent up to now is 8.9 secs Computing kpt #: 17 total cpu time spent up to now is 9.3 secs Computing kpt #: 18 total cpu time spent up to now is 9.6 secs Computing kpt #: 19 total cpu time spent up to now is 10.0 secs Computing kpt #: 20 total cpu time spent up to now is 10.4 secs Computing kpt #: 21 total cpu time spent up to now is 10.8 secs Computing kpt #: 22 total cpu time spent up to now is 11.2 secs Computing kpt #: 23 total cpu time spent up to now is 11.6 secs Computing kpt #: 24 total cpu time spent up to now is 12.0 secs Computing kpt #: 25 total cpu time spent up to now is 12.4 secs Computing kpt #: 26 total cpu time spent up to now is 12.8 secs Computing kpt #: 27 total cpu time spent up to now is 13.3 secs Computing kpt #: 28 total cpu time spent up to now is 13.8 secs Computing kpt #: 29 total cpu time spent up to now is 14.6 secs Computing kpt #: 30 total cpu time spent up to now is 15.0 secs Computing kpt #: 31 total cpu time spent up to now is 15.4 secs Computing kpt #: 32 total cpu time spent up to now is 15.7 secs Computing kpt #: 33 total cpu time spent up to now is 16.1 secs Computing kpt #: 34 total cpu time spent up to now is 16.4 secs Computing kpt #: 35 total cpu time spent up to now is 16.8 secs Computing kpt #: 36 total cpu time spent up to now is 17.1 secs Computing kpt #: 37 total cpu time spent up to now is 17.5 secs Computing kpt #: 38 total cpu time spent up to now is 17.8 secs Computing kpt #: 39 total cpu time spent up to now is 18.1 secs Computing kpt #: 40 total cpu time spent up to now is 18.5 secs Computing kpt #: 41 total cpu time spent up to now is 18.8 secs Computing kpt #: 42 total cpu time spent up to now is 19.2 secs Computing kpt #: 43 total cpu time spent up to now is 19.5 secs Computing kpt #: 44 total cpu time spent up to now is 19.9 secs Computing kpt #: 45 total cpu time spent up to now is 20.2 secs Computing kpt #: 46 total cpu time spent up to now is 20.6 secs Computing kpt #: 47 total cpu time spent up to now is 20.9 secs Computing kpt #: 48 total cpu time spent up to now is 21.2 secs Computing kpt #: 49 total cpu time spent up to now is 21.6 secs Computing kpt #: 50 total cpu time spent up to now is 21.9 secs Computing kpt #: 51 total cpu time spent up to now is 22.3 secs Computing kpt #: 52 total cpu time spent up to now is 22.6 secs Computing kpt #: 53 total cpu time spent up to now is 23.0 secs Computing kpt #: 54 total cpu time spent up to now is 23.3 secs Computing kpt #: 55 total cpu time spent up to now is 23.6 secs Computing kpt #: 56 total cpu time spent up to now is 24.0 secs Computing kpt #: 57 total cpu time spent up to now is 24.3 secs Computing kpt #: 58 total cpu time spent up to now is 24.7 secs Computing kpt #: 59 total cpu time spent up to now is 25.0 secs Computing kpt #: 60 total cpu time spent up to now is 25.4 secs Computing kpt #: 61 total cpu time spent up to now is 25.7 secs Computing kpt #: 62 total cpu time spent up to now is 26.0 secs Computing kpt #: 63 total cpu time spent up to now is 26.4 secs Computing kpt #: 64 total cpu time spent up to now is 26.8 secs Computing kpt #: 65 total cpu time spent up to now is 27.1 secs Computing kpt #: 66 total cpu time spent up to now is 27.5 secs Computing kpt #: 67 total cpu time spent up to now is 27.8 secs Computing kpt #: 68 total cpu time spent up to now is 28.2 secs Computing kpt #: 69 total cpu time spent up to now is 28.5 secs Computing kpt #: 70 total cpu time spent up to now is 28.9 secs Computing kpt #: 71 total cpu time spent up to now is 29.2 secs Computing kpt #: 72 total cpu time spent up to now is 29.6 secs Computing kpt #: 73 total cpu time spent up to now is 30.0 secs Computing kpt #: 74 total cpu time spent up to now is 30.3 secs Computing kpt #: 75 total cpu time spent up to now is 30.7 secs Computing kpt #: 76 total cpu time spent up to now is 31.0 secs Computing kpt #: 77 total cpu time spent up to now is 31.4 secs Computing kpt #: 78 total cpu time spent up to now is 31.7 secs Computing kpt #: 79 total cpu time spent up to now is 32.1 secs Computing kpt #: 80 total cpu time spent up to now is 32.4 secs Computing kpt #: 81 total cpu time spent up to now is 32.7 secs Computing kpt #: 82 total cpu time spent up to now is 33.1 secs Computing kpt #: 83 total cpu time spent up to now is 33.4 secs Computing kpt #: 84 total cpu time spent up to now is 33.8 secs Computing kpt #: 85 total cpu time spent up to now is 34.2 secs Computing kpt #: 86 total cpu time spent up to now is 34.5 secs Computing kpt #: 87 total cpu time spent up to now is 34.9 secs Computing kpt #: 88 total cpu time spent up to now is 35.2 secs Computing kpt #: 89 total cpu time spent up to now is 35.6 secs Computing kpt #: 90 total cpu time spent up to now is 36.2 secs Computing kpt #: 91 total cpu time spent up to now is 36.6 secs Computing kpt #: 92 total cpu time spent up to now is 37.0 secs Computing kpt #: 93 total cpu time spent up to now is 37.3 secs Computing kpt #: 94 total cpu time spent up to now is 37.8 secs Computing kpt #: 95 total cpu time spent up to now is 38.2 secs Computing kpt #: 96 total cpu time spent up to now is 38.5 secs Computing kpt #: 97 total cpu time spent up to now is 38.9 secs Computing kpt #: 98 total cpu time spent up to now is 39.2 secs Computing kpt #: 99 total cpu time spent up to now is 39.6 secs Computing kpt #: 100 total cpu time spent up to now is 39.9 secs Computing kpt #: 101 total cpu time spent up to now is 40.3 secs Computing kpt #: 102 total cpu time spent up to now is 40.6 secs Computing kpt #: 103 total cpu time spent up to now is 41.0 secs Computing kpt #: 104 total cpu time spent up to now is 41.3 secs Computing kpt #: 105 total cpu time spent up to now is 41.6 secs Computing kpt #: 106 total cpu time spent up to now is 42.0 secs Computing kpt #: 107 total cpu time spent up to now is 42.3 secs Computing kpt #: 108 total cpu time spent up to now is 42.7 secs Computing kpt #: 109 total cpu time spent up to now is 43.0 secs Computing kpt #: 110 total cpu time spent up to now is 43.4 secs Computing kpt #: 111 total cpu time spent up to now is 43.7 secs Computing kpt #: 112 total cpu time spent up to now is 44.1 secs Computing kpt #: 113 total cpu time spent up to now is 44.4 secs Computing kpt #: 114 total cpu time spent up to now is 44.8 secs Computing kpt #: 115 total cpu time spent up to now is 45.1 secs Computing kpt #: 116 total cpu time spent up to now is 45.5 secs Computing kpt #: 117 total cpu time spent up to now is 45.9 secs Computing kpt #: 118 total cpu time spent up to now is 46.2 secs Computing kpt #: 119 total cpu time spent up to now is 46.6 secs Computing kpt #: 120 total cpu time spent up to now is 46.9 secs Computing kpt #: 121 total cpu time spent up to now is 47.3 secs Computing kpt #: 122 total cpu time spent up to now is 47.6 secs Computing kpt #: 123 total cpu time spent up to now is 48.0 secs Computing kpt #: 124 total cpu time spent up to now is 48.3 secs Computing kpt #: 125 total cpu time spent up to now is 48.6 secs Computing kpt #: 126 total cpu time spent up to now is 49.0 secs Computing kpt #: 127 total cpu time spent up to now is 49.3 secs Computing kpt #: 128 total cpu time spent up to now is 49.7 secs Computing kpt #: 129 total cpu time spent up to now is 50.0 secs Computing kpt #: 130 total cpu time spent up to now is 50.4 secs Computing kpt #: 131 total cpu time spent up to now is 50.7 secs Computing kpt #: 132 total cpu time spent up to now is 51.1 secs Computing kpt #: 133 total cpu time spent up to now is 51.4 secs Computing kpt #: 134 total cpu time spent up to now is 51.8 secs Computing kpt #: 135 total cpu time spent up to now is 52.1 secs Computing kpt #: 136 total cpu time spent up to now is 52.5 secs Computing kpt #: 137 total cpu time spent up to now is 52.8 secs Computing kpt #: 138 total cpu time spent up to now is 53.2 secs Computing kpt #: 139 total cpu time spent up to now is 53.6 secs Computing kpt #: 140 total cpu time spent up to now is 53.9 secs Computing kpt #: 141 total cpu time spent up to now is 54.3 secs Computing kpt #: 142 total cpu time spent up to now is 54.7 secs Computing kpt #: 143 total cpu time spent up to now is 55.1 secs Computing kpt #: 144 total cpu time spent up to now is 55.4 secs Computing kpt #: 145 total cpu time spent up to now is 55.8 secs Computing kpt #: 146 total cpu time spent up to now is 56.2 secs Computing kpt #: 147 total cpu time spent up to now is 56.6 secs Computing kpt #: 148 total cpu time spent up to now is 56.9 secs Computing kpt #: 149 total cpu time spent up to now is 57.3 secs Computing kpt #: 150 total cpu time spent up to now is 57.7 secs Computing kpt #: 151 total cpu time spent up to now is 58.1 secs Computing kpt #: 152 total cpu time spent up to now is 58.5 secs Computing kpt #: 153 total cpu time spent up to now is 58.8 secs Computing kpt #: 154 total cpu time spent up to now is 59.2 secs Computing kpt #: 155 total cpu time spent up to now is 59.6 secs Computing kpt #: 156 total cpu time spent up to now is 60.0 secs Computing kpt #: 157 total cpu time spent up to now is 60.4 secs Computing kpt #: 158 total cpu time spent up to now is 60.8 secs Computing kpt #: 159 total cpu time spent up to now is 61.1 secs Computing kpt #: 160 total cpu time spent up to now is 61.5 secs Computing kpt #: 161 total cpu time spent up to now is 61.9 secs Computing kpt #: 162 total cpu time spent up to now is 62.4 secs Computing kpt #: 163 total cpu time spent up to now is 63.0 secs Computing kpt #: 164 total cpu time spent up to now is 63.3 secs Computing kpt #: 165 total cpu time spent up to now is 63.7 secs Computing kpt #: 166 total cpu time spent up to now is 64.1 secs Computing kpt #: 167 total cpu time spent up to now is 64.4 secs Computing kpt #: 168 total cpu time spent up to now is 64.8 secs Computing kpt #: 169 total cpu time spent up to now is 65.1 secs Computing kpt #: 170 total cpu time spent up to now is 65.4 secs Computing kpt #: 171 total cpu time spent up to now is 65.8 secs Computing kpt #: 172 total cpu time spent up to now is 66.1 secs Computing kpt #: 173 total cpu time spent up to now is 66.4 secs Computing kpt #: 174 total cpu time spent up to now is 66.7 secs Computing kpt #: 175 total cpu time spent up to now is 67.1 secs Computing kpt #: 176 total cpu time spent up to now is 67.4 secs Computing kpt #: 177 total cpu time spent up to now is 67.7 secs Computing kpt #: 178 total cpu time spent up to now is 68.1 secs Computing kpt #: 179 total cpu time spent up to now is 68.4 secs Computing kpt #: 180 total cpu time spent up to now is 68.7 secs Computing kpt #: 181 total cpu time spent up to now is 69.0 secs Computing kpt #: 182 total cpu time spent up to now is 69.4 secs Computing kpt #: 183 total cpu time spent up to now is 69.7 secs Computing kpt #: 184 total cpu time spent up to now is 70.0 secs Computing kpt #: 185 total cpu time spent up to now is 70.4 secs Computing kpt #: 186 total cpu time spent up to now is 70.7 secs Computing kpt #: 187 total cpu time spent up to now is 71.0 secs Computing kpt #: 188 total cpu time spent up to now is 71.3 secs Computing kpt #: 189 total cpu time spent up to now is 71.6 secs Computing kpt #: 190 total cpu time spent up to now is 71.9 secs Computing kpt #: 191 total cpu time spent up to now is 72.3 secs Computing kpt #: 192 total cpu time spent up to now is 72.6 secs Computing kpt #: 193 total cpu time spent up to now is 72.9 secs Computing kpt #: 194 total cpu time spent up to now is 73.3 secs Computing kpt #: 195 total cpu time spent up to now is 73.6 secs Computing kpt #: 196 total cpu time spent up to now is 73.9 secs Computing kpt #: 197 total cpu time spent up to now is 74.3 secs Computing kpt #: 198 total cpu time spent up to now is 74.6 secs Computing kpt #: 199 total cpu time spent up to now is 75.0 secs Computing kpt #: 200 total cpu time spent up to now is 75.3 secs Computing kpt #: 201 total cpu time spent up to now is 75.7 secs Computing kpt #: 202 total cpu time spent up to now is 76.1 secs Computing kpt #: 203 total cpu time spent up to now is 76.5 secs Computing kpt #: 204 total cpu time spent up to now is 76.8 secs Computing kpt #: 205 total cpu time spent up to now is 77.2 secs Computing kpt #: 206 total cpu time spent up to now is 77.5 secs Computing kpt #: 207 total cpu time spent up to now is 77.9 secs Computing kpt #: 208 total cpu time spent up to now is 78.3 secs Computing kpt #: 209 total cpu time spent up to now is 78.7 secs Computing kpt #: 210 total cpu time spent up to now is 79.1 secs Computing kpt #: 211 total cpu time spent up to now is 79.5 secs Computing kpt #: 212 total cpu time spent up to now is 79.9 secs Computing kpt #: 213 total cpu time spent up to now is 80.3 secs Computing kpt #: 214 total cpu time spent up to now is 80.7 secs Computing kpt #: 215 total cpu time spent up to now is 81.2 secs Computing kpt #: 216 total cpu time spent up to now is 81.6 secs Computing kpt #: 217 total cpu time spent up to now is 82.0 secs Computing kpt #: 218 total cpu time spent up to now is 82.4 secs Computing kpt #: 219 total cpu time spent up to now is 82.8 secs Computing kpt #: 220 total cpu time spent up to now is 83.2 secs Computing kpt #: 221 total cpu time spent up to now is 83.6 secs Computing kpt #: 222 total cpu time spent up to now is 84.0 secs Computing kpt #: 223 total cpu time spent up to now is 84.4 secs Computing kpt #: 224 total cpu time spent up to now is 84.7 secs Computing kpt #: 225 total cpu time spent up to now is 85.1 secs Computing kpt #: 226 total cpu time spent up to now is 85.4 secs Computing kpt #: 227 total cpu time spent up to now is 85.8 secs Computing kpt #: 228 total cpu time spent up to now is 86.1 secs Computing kpt #: 229 total cpu time spent up to now is 86.5 secs Computing kpt #: 230 total cpu time spent up to now is 86.8 secs Computing kpt #: 231 total cpu time spent up to now is 87.1 secs Computing kpt #: 232 total cpu time spent up to now is 87.5 secs Computing kpt #: 233 total cpu time spent up to now is 87.8 secs Computing kpt #: 234 total cpu time spent up to now is 88.2 secs Computing kpt #: 235 total cpu time spent up to now is 88.5 secs Computing kpt #: 236 total cpu time spent up to now is 88.9 secs Computing kpt #: 237 total cpu time spent up to now is 89.2 secs Computing kpt #: 238 total cpu time spent up to now is 89.6 secs Computing kpt #: 239 total cpu time spent up to now is 89.9 secs Computing kpt #: 240 total cpu time spent up to now is 90.3 secs Computing kpt #: 241 total cpu time spent up to now is 90.6 secs Computing kpt #: 242 total cpu time spent up to now is 91.0 secs Computing kpt #: 243 total cpu time spent up to now is 91.3 secs Computing kpt #: 244 total cpu time spent up to now is 91.7 secs Computing kpt #: 245 total cpu time spent up to now is 92.0 secs Computing kpt #: 246 total cpu time spent up to now is 92.4 secs Computing kpt #: 247 total cpu time spent up to now is 92.7 secs Computing kpt #: 248 total cpu time spent up to now is 93.1 secs Computing kpt #: 249 total cpu time spent up to now is 93.4 secs Computing kpt #: 250 total cpu time spent up to now is 93.8 secs Computing kpt #: 251 total cpu time spent up to now is 94.1 secs Computing kpt #: 252 total cpu time spent up to now is 94.5 secs Computing kpt #: 253 total cpu time spent up to now is 94.8 secs Computing kpt #: 254 total cpu time spent up to now is 95.4 secs Computing kpt #: 255 total cpu time spent up to now is 96.0 secs Computing kpt #: 256 total cpu time spent up to now is 96.5 secs Computing kpt #: 257 total cpu time spent up to now is 97.0 secs Computing kpt #: 258 total cpu time spent up to now is 97.4 secs Computing kpt #: 259 total cpu time spent up to now is 97.8 secs Computing kpt #: 260 total cpu time spent up to now is 98.2 secs Computing kpt #: 261 total cpu time spent up to now is 98.6 secs Computing kpt #: 262 total cpu time spent up to now is 98.9 secs Computing kpt #: 263 total cpu time spent up to now is 99.2 secs Computing kpt #: 264 total cpu time spent up to now is 99.6 secs Computing kpt #: 265 total cpu time spent up to now is 99.9 secs Computing kpt #: 266 total cpu time spent up to now is 100.3 secs Computing kpt #: 267 total cpu time spent up to now is 100.6 secs Computing kpt #: 268 total cpu time spent up to now is 100.9 secs Computing kpt #: 269 total cpu time spent up to now is 101.2 secs Computing kpt #: 270 total cpu time spent up to now is 101.6 secs Computing kpt #: 271 total cpu time spent up to now is 101.9 secs Computing kpt #: 272 total cpu time spent up to now is 102.2 secs Computing kpt #: 273 total cpu time spent up to now is 102.5 secs Computing kpt #: 274 total cpu time spent up to now is 102.8 secs Computing kpt #: 275 total cpu time spent up to now is 103.1 secs Computing kpt #: 276 total cpu time spent up to now is 103.5 secs Computing kpt #: 277 total cpu time spent up to now is 103.8 secs Computing kpt #: 278 total cpu time spent up to now is 104.1 secs Computing kpt #: 279 total cpu time spent up to now is 104.5 secs Computing kpt #: 280 total cpu time spent up to now is 104.8 secs Computing kpt #: 281 total cpu time spent up to now is 105.2 secs Computing kpt #: 282 total cpu time spent up to now is 105.5 secs Computing kpt #: 283 total cpu time spent up to now is 105.9 secs Computing kpt #: 284 total cpu time spent up to now is 106.2 secs Computing kpt #: 285 total cpu time spent up to now is 106.6 secs Computing kpt #: 286 total cpu time spent up to now is 107.0 secs Computing kpt #: 287 total cpu time spent up to now is 107.4 secs Computing kpt #: 288 total cpu time spent up to now is 107.7 secs Computing kpt #: 289 total cpu time spent up to now is 108.1 secs Computing kpt #: 290 total cpu time spent up to now is 108.4 secs Computing kpt #: 291 total cpu time spent up to now is 108.8 secs Computing kpt #: 292 total cpu time spent up to now is 109.2 secs Computing kpt #: 293 total cpu time spent up to now is 109.6 secs Computing kpt #: 294 total cpu time spent up to now is 110.0 secs Computing kpt #: 295 total cpu time spent up to now is 110.4 secs Computing kpt #: 296 total cpu time spent up to now is 110.8 secs Computing kpt #: 297 total cpu time spent up to now is 111.2 secs Computing kpt #: 298 total cpu time spent up to now is 111.6 secs Computing kpt #: 299 total cpu time spent up to now is 112.1 secs Computing kpt #: 300 total cpu time spent up to now is 112.5 secs Computing kpt #: 301 total cpu time spent up to now is 112.9 secs Computing kpt #: 302 total cpu time spent up to now is 113.3 secs Computing kpt #: 303 total cpu time spent up to now is 113.7 secs Computing kpt #: 304 total cpu time spent up to now is 114.1 secs Computing kpt #: 305 total cpu time spent up to now is 114.4 secs Computing kpt #: 306 total cpu time spent up to now is 114.8 secs Computing kpt #: 307 total cpu time spent up to now is 115.1 secs Computing kpt #: 308 total cpu time spent up to now is 115.5 secs Computing kpt #: 309 total cpu time spent up to now is 115.8 secs Computing kpt #: 310 total cpu time spent up to now is 116.2 secs Computing kpt #: 311 total cpu time spent up to now is 116.5 secs Computing kpt #: 312 total cpu time spent up to now is 116.8 secs Computing kpt #: 313 total cpu time spent up to now is 117.2 secs Computing kpt #: 314 total cpu time spent up to now is 117.5 secs Computing kpt #: 315 total cpu time spent up to now is 117.8 secs Computing kpt #: 316 total cpu time spent up to now is 118.2 secs Computing kpt #: 317 total cpu time spent up to now is 118.5 secs Computing kpt #: 318 total cpu time spent up to now is 118.9 secs Computing kpt #: 319 total cpu time spent up to now is 119.2 secs Computing kpt #: 320 total cpu time spent up to now is 119.5 secs ethr = 2.78E-08, avg # of iterations = 17.9 total cpu time spent up to now is 119.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2891 PWs) bands (ev): -38.0835 -38.0835 -17.0694 -17.0694 -16.5642 -16.5642 -16.5642 -16.5642 3.1555 3.1555 5.6311 5.6311 5.6311 5.6311 5.6434 5.6434 5.6434 5.6434 5.9285 5.9285 6.8593 6.8593 6.8593 6.8593 7.1513 7.1513 7.5528 7.5528 7.5528 7.5528 11.2045 11.2045 11.4129 11.4129 11.4129 11.4129 13.4462 13.4462 13.4462 13.4462 14.7631 14.7631 14.7903 14.7903 k = 0.0104-0.0060 0.0085 ( 2891 PWs) bands (ev): -38.0835 -38.0835 -17.0694 -17.0694 -16.5642 -16.5642 -16.5642 -16.5642 3.1571 3.1571 5.6275 5.6275 5.6316 5.6316 5.6437 5.6437 5.6474 5.6474 5.9287 5.9287 6.8590 6.8590 6.8593 6.8593 7.1511 7.1511 7.5508 7.5508 7.5527 7.5527 11.2030 11.2030 11.4111 11.4111 11.4111 11.4111 13.4403 13.4403 13.4457 13.4457 14.7491 14.7491 14.7804 14.7804 k = 0.0208-0.0120 0.0170 ( 2891 PWs) bands (ev): -38.0835 -38.0835 -17.0694 -17.0694 -16.5642 -16.5642 -16.5642 -16.5642 3.1620 3.1620 5.6212 5.6212 5.6331 5.6331 5.6447 5.6447 5.6550 5.6550 5.9294 5.9294 6.8581 6.8581 6.8591 6.8591 7.1505 7.1505 7.5451 7.5451 7.5526 7.5526 11.1986 11.1986 11.4057 11.4057 11.4057 11.4057 13.4225 13.4225 13.4444 13.4444 14.6934 14.6934 14.7850 14.7850 k = 0.0312-0.0180 0.0255 ( 2907 PWs) bands (ev): -38.0835 -38.0835 -17.0694 -17.0694 -16.5643 -16.5643 -16.5642 -16.5642 3.1702 3.1702 5.6143 5.6143 5.6355 5.6355 5.6465 5.6465 5.6636 5.6636 5.9306 5.9306 6.8562 6.8562 6.8586 6.8586 7.1490 7.1490 7.5354 7.5354 7.5524 7.5524 11.1912 11.1912 11.3967 11.3967 11.3968 11.3968 13.3927 13.3927 13.4422 13.4422 14.6262 14.6262 14.7990 14.7990 k = 0.0417-0.0241 0.0340 ( 2915 PWs) bands (ev): -38.0835 -38.0835 -17.0695 -17.0695 -16.5644 -16.5644 -16.5643 -16.5643 3.1816 3.1816 5.6074 5.6074 5.6388 5.6388 5.6490 5.6490 5.6732 5.6732 5.9323 5.9323 6.8539 6.8539 6.8581 6.8581 7.1473 7.1473 7.5221 7.5221 7.5522 7.5522 11.1811 11.1811 11.3844 11.3844 11.3846 11.3846 13.3511 13.3511 13.4392 13.4392 14.5620 14.5620 14.8188 14.8188 k = 0.0521-0.0301 0.0425 ( 2922 PWs) bands (ev): -38.0835 -38.0835 -17.0696 -17.0696 -16.5645 -16.5645 -16.5643 -16.5643 3.1962 3.1962 5.6003 5.6003 5.6428 5.6428 5.6524 5.6524 5.6837 5.6837 5.9346 5.9346 6.8511 6.8511 6.8573 6.8573 7.1452 7.1452 7.5051 7.5051 7.5519 7.5519 11.1683 11.1683 11.3689 11.3689 11.3693 11.3693 13.2980 13.2980 13.4353 13.4353 14.5055 14.5055 14.8437 14.8437 k = 0.0625-0.0361 0.0510 ( 2914 PWs) bands (ev): -38.0835 -38.0835 -17.0696 -17.0696 -16.5645 -16.5645 -16.5643 -16.5643 3.2140 3.2140 5.5931 5.5931 5.6473 5.6473 5.6570 5.6570 5.6953 5.6953 5.9376 5.9376 6.8482 6.8482 6.8568 6.8568 7.1432 7.1432 7.4846 7.4846 7.5515 7.5515 11.1531 11.1531 11.3505 11.3505 11.3513 11.3513 13.2338 13.2338 13.4306 13.4306 14.4585 14.4585 14.8729 14.8729 k = 0.0729-0.0421 0.0595 ( 2906 PWs) bands (ev): -38.0835 -38.0835 -17.0696 -17.0696 -16.5646 -16.5646 -16.5644 -16.5644 3.2350 3.2350 5.5854 5.5854 5.6521 5.6521 5.6629 5.6629 5.7075 5.7075 5.9414 5.9414 6.8446 6.8446 6.8561 6.8561 7.1407 7.1407 7.4611 7.4611 7.5510 7.5510 11.1356 11.1356 11.3293 11.3293 11.3307 11.3307 13.1599 13.1599 13.4251 13.4251 14.4209 14.4209 14.9055 14.9055 k = 0.0833-0.0481 0.0680 ( 2914 PWs) bands (ev): -38.0835 -38.0835 -17.0697 -17.0697 -16.5647 -16.5647 -16.5644 -16.5644 3.2592 3.2592 5.5772 5.5772 5.6571 5.6571 5.6700 5.6700 5.7206 5.7206 5.9459 5.9459 6.8405 6.8405 6.8552 6.8552 7.1379 7.1379 7.4336 7.4336 7.5505 7.5505 11.1159 11.1159 11.3057 11.3057 11.3080 11.3080 13.0774 13.0774 13.4187 13.4187 14.3923 14.3923 14.9405 14.9405 k = 0.0938-0.0541 0.0765 ( 2906 PWs) bands (ev): -38.0835 -38.0835 -17.0697 -17.0697 -16.5648 -16.5648 -16.5644 -16.5644 3.2864 3.2864 5.5686 5.5686 5.6624 5.6624 5.6786 5.6786 5.7346 5.7346 5.9515 5.9515 6.8359 6.8359 6.8541 6.8541 7.1349 7.1349 7.4037 7.4037 7.5499 7.5499 11.0944 11.0944 11.2801 11.2801 11.2835 11.2835 12.9877 12.9877 13.4116 13.4116 14.3717 14.3717 14.9766 14.9766 k = 0.1042-0.0601 0.0851 ( 2918 PWs) bands (ev): -38.0835 -38.0835 -17.0698 -17.0698 -16.5650 -16.5650 -16.5645 -16.5645 3.3167 3.3167 5.5592 5.5592 5.6680 5.6680 5.6879 5.6879 5.7493 5.7493 5.9577 5.9577 6.8309 6.8309 6.8527 6.8527 7.1316 7.1316 7.3708 7.3708 7.5492 7.5492 11.0712 11.0712 11.2524 11.2524 11.2574 11.2574 12.8922 12.8922 13.4038 13.4038 14.3579 14.3579 15.0119 15.0119 k = 0.1146-0.0662 0.0936 ( 2910 PWs) bands (ev): -38.0834 -38.0834 -17.0699 -17.0699 -16.5652 -16.5652 -16.5645 -16.5645 3.3500 3.3500 5.5493 5.5493 5.6741 5.6741 5.6985 5.6985 5.7652 5.7652 5.9651 5.9651 6.8256 6.8256 6.8511 6.8511 7.1281 7.1281 7.3355 7.3355 7.5486 7.5486 11.0465 11.0465 11.2234 11.2234 11.2303 11.2303 12.7920 12.7920 13.3952 13.3952 14.3501 14.3501 15.0416 15.0416 k = 0.1250-0.0722 0.1021 ( 2918 PWs) bands (ev): -38.0834 -38.0834 -17.0700 -17.0700 -16.5653 -16.5653 -16.5645 -16.5645 3.3862 3.3862 5.5386 5.5386 5.6805 5.6805 5.7098 5.7098 5.7819 5.7819 5.9734 5.9734 6.8198 6.8198 6.8490 6.8490 7.1244 7.1244 7.2979 7.2979 7.5477 7.5477 11.0205 11.0205 11.1930 11.1930 11.2024 11.2024 12.6881 12.6881 13.3859 13.3859 14.3473 14.3473 15.0669 15.0669 k = 0.1354-0.0782 0.1106 ( 2918 PWs) bands (ev): -38.0834 -38.0834 -17.0701 -17.0701 -16.5655 -16.5655 -16.5646 -16.5646 3.4253 3.4253 5.5273 5.5273 5.6871 5.6871 5.7222 5.7222 5.7997 5.7997 5.9830 5.9830 6.8136 6.8136 6.8463 6.8463 7.1203 7.1203 7.2587 7.2587 7.5470 7.5470 10.9934 10.9934 11.1616 11.1616 11.1740 11.1740 12.5814 12.5814 13.3760 13.3760 14.3486 14.3486 15.0861 15.0861 k = 0.1458-0.0842 0.1191 ( 2918 PWs) bands (ev): -38.0834 -38.0834 -17.0701 -17.0701 -16.5657 -16.5657 -16.5646 -16.5646 3.4671 3.4671 5.5153 5.5153 5.6942 5.6942 5.7353 5.7353 5.8183 5.8183 5.9935 5.9935 6.8072 6.8072 6.8432 6.8432 7.1158 7.1158 7.2182 7.2182 7.5463 7.5463 10.9653 10.9653 11.1294 11.1294 11.1454 11.1454 12.4723 12.4723 13.3654 13.3654 14.3535 14.3535 15.0972 15.0972 k = 0.1562-0.0902 0.1276 ( 2918 PWs) bands (ev): -38.0834 -38.0834 -17.0702 -17.0702 -16.5659 -16.5659 -16.5647 -16.5647 3.5117 3.5117 5.5027 5.5027 5.7016 5.7016 5.7492 5.7492 5.8377 5.8377 6.0051 6.0051 6.8007 6.8007 6.8394 6.8394 7.1100 7.1100 7.1777 7.1777 7.5454 7.5454 10.9365 10.9365 11.0967 11.0967 11.1169 11.1169 12.3614 12.3614 13.3543 13.3543 14.3614 14.3614 15.0987 15.0987 k = 0.1667-0.0962 0.1361 ( 2910 PWs) bands (ev): -38.0833 -38.0833 -17.0703 -17.0703 -16.5661 -16.5661 -16.5647 -16.5647 3.5588 3.5588 5.4896 5.4896 5.7095 5.7095 5.7637 5.7637 5.8581 5.8581 6.0177 6.0177 6.7940 6.7940 6.8350 6.8350 7.0991 7.0991 7.1417 7.1417 7.5446 7.5446 10.9071 10.9071 11.0637 11.0637 11.0887 11.0887 12.2489 12.2489 13.3426 13.3426 14.3719 14.3719 15.0895 15.0895 k = 0.1771-0.1022 0.1446 ( 2914 PWs) bands (ev): -38.0833 -38.0833 -17.0704 -17.0704 -16.5663 -16.5663 -16.5648 -16.5648 3.6084 3.6084 5.4760 5.4760 5.7175 5.7175 5.7787 5.7787 5.8792 5.8792 6.0312 6.0312 6.7871 6.7871 6.8294 6.8294 7.0720 7.0720 7.1213 7.1213 7.5438 7.5438 10.8773 10.8773 11.0306 11.0306 11.0610 11.0610 12.1350 12.1350 13.3303 13.3303 14.3846 14.3846 15.0692 15.0692 k = 0.1875-0.1083 0.1531 ( 2898 PWs) bands (ev): -38.0833 -38.0833 -17.0705 -17.0705 -16.5665 -16.5665 -16.5648 -16.5648 3.6603 3.6603 5.4621 5.4621 5.7258 5.7258 5.7944 5.7944 5.9011 5.9011 6.0459 6.0459 6.7802 6.7802 6.8225 6.8225 7.0327 7.0327 7.1135 7.1135 7.5434 7.5434 10.8472 10.8472 10.9976 10.9976 11.0339 11.0339 12.0201 12.0201 13.3177 13.3177 14.3991 14.3991 15.0384 15.0384 k = 0.1979-0.1143 0.1616 ( 2902 PWs) bands (ev): -38.0833 -38.0833 -17.0706 -17.0706 -16.5667 -16.5667 -16.5648 -16.5648 3.7144 3.7144 5.4479 5.4479 5.7344 5.7344 5.8103 5.8103 5.9236 5.9236 6.0611 6.0611 6.7732 6.7732 6.8137 6.8137 6.9910 6.9910 7.1091 7.1091 7.5425 7.5425 10.8169 10.8169 10.9647 10.9647 11.0075 11.0075 11.9040 11.9040 13.3047 13.3047 14.4152 14.4152 14.9979 14.9979 k = 0.2083-0.1203 0.1701 ( 2898 PWs) bands (ev): -38.0833 -38.0833 -17.0707 -17.0707 -16.5669 -16.5669 -16.5649 -16.5649 3.7705 3.7705 5.4335 5.4335 5.7432 5.7432 5.8265 5.8265 5.9468 5.9468 6.0772 6.0772 6.7665 6.7665 6.8023 6.8023 6.9505 6.9505 7.1061 7.1061 7.5417 7.5417 10.7867 10.7867 10.9322 10.9322 10.9819 10.9819 11.7869 11.7869 13.2913 13.2913 14.4327 14.4327 14.9491 14.9491 k = 0.2188-0.1263 0.1786 ( 2898 PWs) bands (ev): -38.0832 -38.0832 -17.0708 -17.0708 -16.5671 -16.5671 -16.5649 -16.5649 3.8284 3.8284 5.4192 5.4192 5.7521 5.7521 5.8428 5.8428 5.9706 5.9706 6.0940 6.0940 6.7598 6.7598 6.7865 6.7865 6.9134 6.9134 7.1038 7.1038 7.5409 7.5409 10.7566 10.7566 10.9001 10.9001 10.9572 10.9572 11.6688 11.6688 13.2776 13.2776 14.4512 14.4512 14.8935 14.8935 k = 0.2292-0.1323 0.1871 ( 2902 PWs) bands (ev): -38.0832 -38.0832 -17.0710 -17.0710 -16.5673 -16.5673 -16.5650 -16.5650 3.8879 3.8879 5.4052 5.4052 5.7611 5.7611 5.8591 5.8591 5.9950 5.9950 6.1114 6.1114 6.7534 6.7534 6.7648 6.7648 6.8821 6.8821 7.1019 7.1019 7.5398 7.5398 10.7268 10.7268 10.8686 10.8686 10.9333 10.9333 11.5497 11.5497 13.2637 13.2637 14.4705 14.4705 14.8326 14.8326 k = 0.2396-0.1383 0.1956 ( 2902 PWs) bands (ev): -38.0832 -38.0832 -17.0711 -17.0711 -16.5676 -16.5676 -16.5651 -16.5651 3.9487 3.9487 5.3915 5.3915 5.7703 5.7703 5.8753 5.8753 6.0198 6.0198 6.1294 6.1294 6.7363 6.7363 6.7473 6.7473 6.8578 6.8578 7.1005 7.1005 7.5390 7.5390 10.6974 10.6974 10.8378 10.8378 10.9104 10.9104 11.4296 11.4296 13.2496 13.2496 14.4903 14.4903 14.7678 14.7679 k = 0.2500-0.1443 0.2041 ( 2906 PWs) bands (ev): -38.0832 -38.0832 -17.0712 -17.0712 -16.5678 -16.5678 -16.5652 -16.5652 4.0104 4.0104 5.3784 5.3784 5.7795 5.7795 5.8911 5.8911 6.0449 6.0449 6.1479 6.1479 6.7024 6.7024 6.7416 6.7416 6.8393 6.8393 7.0995 7.0995 7.5382 7.5382 10.6686 10.6686 10.8077 10.8077 10.8885 10.8885 11.3085 11.3085 13.2353 13.2353 14.5101 14.5101 14.7004 14.7006 k = 0.2604-0.1504 0.2126 ( 2906 PWs) bands (ev): -38.0831 -38.0831 -17.0713 -17.0713 -16.5680 -16.5680 -16.5652 -16.5652 4.0729 4.0729 5.3662 5.3662 5.7887 5.7887 5.9063 5.9063 6.0706 6.0706 6.1669 6.1669 6.6656 6.6656 6.7365 6.7365 6.8247 6.8247 7.0989 7.0989 7.5376 7.5376 10.6404 10.6404 10.7785 10.7785 10.8675 10.8675 11.1865 11.1865 13.2210 13.2210 14.5289 14.5289 14.6312 14.6315 k = 0.2708-0.1564 0.2211 ( 2906 PWs) bands (ev): -38.0831 -38.0831 -17.0714 -17.0714 -16.5683 -16.5683 -16.5653 -16.5653 4.1356 4.1356 5.3551 5.3551 5.7979 5.7979 5.9207 5.9207 6.0965 6.0965 6.1862 6.1862 6.6281 6.6281 6.7321 6.7321 6.8124 6.8124 7.0986 7.0986 7.5369 7.5369 10.6129 10.6129 10.7502 10.7502 10.8475 10.8475 11.0636 11.0636 13.2067 13.2067 14.5397 14.5397 14.5612 14.5612 k = 0.2812-0.1624 0.2296 ( 2906 PWs) bands (ev): -38.0831 -38.0831 -17.0716 -17.0716 -16.5685 -16.5685 -16.5653 -16.5653 4.1981 4.1981 5.3454 5.3454 5.8070 5.8070 5.9340 5.9340 6.1227 6.1227 6.2058 6.2058 6.5913 6.5913 6.7284 6.7284 6.8012 6.8012 7.0986 7.0986 7.5363 7.5363 10.5863 10.5863 10.7228 10.7228 10.8285 10.8285 10.9400 10.9400 13.1925 13.1925 14.4903 14.4903 14.4912 14.4912 k = 0.2917-0.1684 0.2381 ( 2922 PWs) bands (ev): -38.0831 -38.0831 -17.0717 -17.0717 -16.5688 -16.5688 -16.5654 -16.5654 4.2599 4.2599 5.3374 5.3374 5.8159 5.8159 5.9457 5.9457 6.1487 6.1487 6.2255 6.2255 6.5562 6.5562 6.7255 6.7255 6.7905 6.7905 7.0988 7.0988 7.5357 7.5357 10.5605 10.5605 10.6961 10.6961 10.8103 10.8103 10.8157 10.8157 13.1783 13.1783 14.4200 14.4200 14.4217 14.4217 k = 0.3021-0.1744 0.2467 ( 2918 PWs) bands (ev): -38.0831 -38.0831 -17.0718 -17.0718 -16.5690 -16.5690 -16.5655 -16.5655 4.3204 4.3204 5.3314 5.3314 5.8247 5.8247 5.9557 5.9557 6.1749 6.1749 6.2457 6.2457 6.5237 6.5237 6.7240 6.7240 6.7803 6.7803 7.0994 7.0994 7.5353 7.5353 10.5358 10.5358 10.6675 10.6675 10.6942 10.6942 10.7932 10.7932 13.1644 13.1644 14.3495 14.3495 14.3534 14.3534 k = 0.3125-0.1804 0.2552 ( 2918 PWs) bands (ev): -38.0830 -38.0830 -17.0719 -17.0719 -16.5692 -16.5692 -16.5656 -16.5656 4.3789 4.3789 5.3279 5.3279 5.8334 5.8334 5.9634 5.9634 6.2007 6.2007 6.2662 6.2662 6.4944 6.4944 6.7238 6.7238 6.7703 6.7703 7.1001 7.1001 7.5349 7.5349 10.5120 10.5120 10.5633 10.5633 10.6487 10.6487 10.7769 10.7769 13.1507 13.1507 14.2804 14.2804 14.2867 14.2867 k = 0.3229-0.1864 0.2637 ( 2918 PWs) bands (ev): -38.0830 -38.0830 -17.0720 -17.0720 -16.5694 -16.5694 -16.5656 -16.5656 4.4347 4.4347 5.3273 5.3273 5.8418 5.8418 5.9687 5.9687 6.2257 6.2257 6.2873 6.2873 6.4690 6.4690 6.7249 6.7249 6.7604 6.7604 7.1010 7.1010 7.5347 7.5347 10.4380 10.4380 10.4894 10.4894 10.6252 10.6252 10.7616 10.7616 13.1373 13.1373 14.2132 14.2132 14.2219 14.2219 k = 0.3333-0.1925 0.2722 ( 2918 PWs) bands (ev): -38.0830 -38.0830 -17.0721 -17.0721 -16.5696 -16.5696 -16.5657 -16.5657 4.4871 4.4871 5.3298 5.3298 5.8500 5.8500 5.9709 5.9709 6.2500 6.2500 6.3086 6.3086 6.4478 6.4478 6.7281 6.7281 6.7505 6.7505 7.1021 7.1021 7.5345 7.5345 10.3125 10.3125 10.4678 10.4678 10.6032 10.6032 10.7472 10.7472 13.1242 13.1242 14.1483 14.1483 14.1594 14.1594 k = 0.3438-0.1985 0.2807 ( 2918 PWs) bands (ev): -38.0830 -38.0830 -17.0722 -17.0722 -16.5698 -16.5698 -16.5657 -16.5657 4.5355 4.5355 5.3358 5.3358 5.8578 5.8578 5.9699 5.9699 6.2730 6.2730 6.3305 6.3305 6.4312 6.4312 6.7334 6.7334 6.7408 6.7408 7.1032 7.1032 7.5345 7.5345 10.1873 10.1873 10.4474 10.4474 10.5825 10.5825 10.7338 10.7338 13.1117 13.1117 14.0861 14.0861 14.0995 14.0995 k = 0.3542-0.2045 0.2892 ( 2934 PWs) bands (ev): -38.0830 -38.0830 -17.0724 -17.0724 -16.5700 -16.5700 -16.5658 -16.5658 4.5790 4.5790 5.3454 5.3454 5.8653 5.8653 5.9656 5.9656 6.2944 6.2944 6.3524 6.3524 6.4189 6.4189 6.7311 6.7311 6.7411 6.7411 7.1045 7.1045 7.5344 7.5344 10.0628 10.0628 10.4281 10.4281 10.5630 10.5630 10.7211 10.7211 13.0995 13.0995 14.0268 14.0268 14.0423 14.0423 k = 0.3646-0.2105 0.2977 ( 2934 PWs) bands (ev): -38.0829 -38.0829 -17.0724 -17.0724 -16.5702 -16.5702 -16.5659 -16.5659 4.6175 4.6175 5.3587 5.3587 5.8725 5.8725 5.9588 5.9588 6.3141 6.3141 6.3749 6.3749 6.4112 6.4112 6.7216 6.7216 6.7518 6.7518 7.1058 7.1058 7.5346 7.5346 9.9396 9.9396 10.4101 10.4101 10.5449 10.5449 10.7094 10.7094 13.0880 13.0880 13.9707 13.9707 13.9882 13.9882 k = 0.3750-0.2165 0.3062 ( 2930 PWs) bands (ev): -38.0829 -38.0829 -17.0725 -17.0725 -16.5703 -16.5703 -16.5659 -16.5659 4.6505 4.6505 5.3755 5.3755 5.8792 5.8792 5.9498 5.9498 6.3319 6.3319 6.3972 6.3972 6.4075 6.4075 6.7121 6.7121 6.7659 6.7659 7.1070 7.1070 7.5350 7.5350 9.8182 9.8182 10.3933 10.3933 10.5279 10.5279 10.6987 10.6987 13.0770 13.0770 13.9180 13.9180 13.9374 13.9374 k = 0.3854-0.2225 0.3147 ( 2926 PWs) bands (ev): -38.0829 -38.0829 -17.0726 -17.0726 -16.5704 -16.5704 -16.5659 -16.5659 4.6782 4.6782 5.3952 5.3952 5.8855 5.8855 5.9389 5.9389 6.3482 6.3482 6.4070 6.4070 6.4186 6.4186 6.7029 6.7029 6.7838 6.7838 7.1083 7.1083 7.5355 7.5355 9.6992 9.6992 10.3778 10.3778 10.5123 10.5123 10.6888 10.6888 13.0667 13.0667 13.8688 13.8688 13.8901 13.8901 k = 0.3958-0.2285 0.3232 ( 2926 PWs) bands (ev): -38.0829 -38.0829 -17.0727 -17.0727 -16.5706 -16.5706 -16.5660 -16.5660 4.7009 4.7009 5.4170 5.4170 5.8912 5.8912 5.9269 5.9269 6.3629 6.3629 6.4092 6.4092 6.4386 6.4386 6.6938 6.6938 6.8055 6.8055 7.1096 7.1096 7.5363 7.5363 9.5833 9.5833 10.3636 10.3636 10.4980 10.4980 10.6797 10.6797 13.0572 13.0572 13.8234 13.8234 13.8463 13.8463 k = 0.4062-0.2345 0.3317 ( 2938 PWs) bands (ev): -38.0829 -38.0829 -17.0728 -17.0728 -16.5707 -16.5707 -16.5660 -16.5660 4.7189 4.7189 5.4400 5.4400 5.8961 5.8961 5.9144 5.9144 6.3760 6.3760 6.4132 6.4132 6.4566 6.4566 6.6849 6.6849 6.8309 6.8309 7.1108 7.1108 7.5373 7.5373 9.4714 9.4714 10.3507 10.3507 10.4850 10.4850 10.6715 10.6715 13.0483 13.0483 13.7818 13.7818 13.8063 13.8063 k = 0.4167-0.2406 0.3402 ( 2946 PWs) bands (ev): -38.0829 -38.0829 -17.0728 -17.0728 -16.5709 -16.5709 -16.5661 -16.5661 4.7331 4.7331 5.4632 5.4632 5.8974 5.8974 5.9054 5.9054 6.3876 6.3876 6.4188 6.4188 6.4726 6.4726 6.6764 6.6764 6.8596 6.8596 7.1119 7.1119 7.5382 7.5382 9.3645 9.3645 10.3390 10.3390 10.4733 10.4733 10.6640 10.6640 13.0403 13.0403 13.7442 13.7442 13.7701 13.7701 k = 0.4271-0.2466 0.3487 ( 2946 PWs) bands (ev): -38.0828 -38.0828 -17.0729 -17.0729 -16.5710 -16.5710 -16.5661 -16.5661 4.7440 4.7440 5.4857 5.4857 5.8880 5.8880 5.9071 5.9071 6.3979 6.3979 6.4253 6.4253 6.4863 6.4863 6.6683 6.6683 6.8909 6.8909 7.1130 7.1130 7.5397 7.5397 9.2639 9.2639 10.3288 10.3288 10.4630 10.4630 10.6576 10.6576 13.0331 13.0331 13.7108 13.7108 13.7379 13.7379 k = 0.4375-0.2526 0.3572 ( 2946 PWs) bands (ev): -38.0828 -38.0828 -17.0729 -17.0729 -16.5710 -16.5710 -16.5662 -16.5662 4.7522 4.7522 5.5066 5.5066 5.8774 5.8774 5.9103 5.9103 6.4066 6.4066 6.4323 6.4323 6.4980 6.4980 6.6606 6.6606 6.9235 6.9235 7.1139 7.1139 7.5415 7.5415 9.1709 9.1709 10.3198 10.3198 10.4540 10.4540 10.6520 10.6520 13.0268 13.0268 13.6817 13.6817 13.7099 13.7099 k = 0.4479-0.2586 0.3657 ( 2946 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5711 -16.5711 -16.5662 -16.5662 4.7582 4.7582 5.5253 5.5253 5.8676 5.8676 5.9134 5.9134 6.4140 6.4140 6.4391 6.4391 6.5075 6.5075 6.6537 6.6537 6.9558 6.9558 7.1147 7.1147 7.5436 7.5436 9.0872 9.0872 10.3122 10.3122 10.4464 10.4464 10.6473 10.6473 13.0214 13.0214 13.6569 13.6569 13.6860 13.6860 k = 0.4583-0.2646 0.3742 ( 2942 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5712 -16.5712 -16.5662 -16.5662 4.7626 4.7626 5.5414 5.5414 5.8593 5.8593 5.9160 5.9160 6.4201 6.4201 6.4453 6.4453 6.5150 6.5150 6.6477 6.6477 6.9860 6.9860 7.1154 7.1154 7.5457 7.5457 9.0148 9.0148 10.3060 10.3060 10.4402 10.4402 10.6435 10.6435 13.0169 13.0169 13.6365 13.6365 13.6664 13.6664 k = 0.4688-0.2706 0.3827 ( 2946 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5712 -16.5712 -16.5662 -16.5662 4.7656 4.7656 5.5541 5.5541 5.8526 5.8526 5.9180 5.9180 6.4248 6.4248 6.4506 6.4506 6.5206 6.5206 6.6426 6.6426 7.0122 7.0122 7.1159 7.1159 7.5478 7.5478 8.9554 8.9554 10.3012 10.3012 10.4353 10.4353 10.6404 10.6404 13.0134 13.0134 13.6205 13.6205 13.6510 13.6510 k = 0.4792-0.2766 0.3912 ( 2946 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5713 -16.5713 -16.5663 -16.5663 4.7676 4.7676 5.5634 5.5634 5.8478 5.8478 5.9195 5.9195 6.4281 6.4281 6.4548 6.4548 6.5246 6.5246 6.6388 6.6388 7.0325 7.0325 7.1163 7.1163 7.5496 7.5496 8.9112 8.9112 10.2977 10.2977 10.4318 10.4318 10.6382 10.6382 13.0109 13.0109 13.6091 13.6091 13.6400 13.6400 k = 0.4896-0.2827 0.3997 ( 2954 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5713 -16.5713 -16.5663 -16.5663 4.7686 4.7686 5.5690 5.5690 5.8445 5.8445 5.9204 5.9204 6.4302 6.4302 6.4572 6.4572 6.5268 6.5268 6.6364 6.6364 7.0453 7.0453 7.1165 7.1165 7.5509 7.5509 8.8838 8.8838 10.2956 10.2956 10.4297 10.4297 10.6369 10.6369 13.0094 13.0094 13.6023 13.6023 13.6334 13.6334 k = 0.5000-0.2887 0.4082 ( 2954 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5713 -16.5713 -16.5663 -16.5663 4.7690 4.7690 5.5709 5.5709 5.8436 5.8436 5.9207 5.9207 6.4308 6.4308 6.4581 6.4581 6.5276 6.5276 6.6356 6.6356 7.0497 7.0497 7.1166 7.1166 7.5513 7.5513 8.8745 8.8745 10.2949 10.2949 10.4290 10.4290 10.6365 10.6365 13.0089 13.0089 13.6000 13.6000 13.6312 13.6312 k = 0.5000-0.2887 0.4082 ( 2954 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5713 -16.5713 -16.5663 -16.5663 4.7690 4.7690 5.5709 5.5709 5.8436 5.8436 5.9207 5.9207 6.4308 6.4308 6.4581 6.4581 6.5276 6.5276 6.6356 6.6356 7.0497 7.0497 7.1166 7.1166 7.5513 7.5513 8.8745 8.8745 10.2949 10.2949 10.4290 10.4290 10.6365 10.6365 13.0089 13.0089 13.6000 13.6000 13.6312 13.6312 k = 0.5000-0.2766 0.4168 ( 2954 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5713 -16.5713 -16.5663 -16.5663 4.7694 4.7694 5.5719 5.5719 5.8435 5.8435 5.9211 5.9211 6.4275 6.4275 6.4591 6.4591 6.5284 6.5284 6.6336 6.6336 7.0540 7.0540 7.1171 7.1171 7.5497 7.5497 8.8747 8.8747 10.2775 10.2775 10.4059 10.4059 10.6739 10.6739 13.0111 13.0111 13.5997 13.5997 13.6309 13.6309 k = 0.5000-0.2646 0.4253 ( 2950 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5713 -16.5713 -16.5663 -16.5663 4.7708 4.7708 5.5746 5.5746 5.8432 5.8432 5.9223 5.9223 6.4185 6.4185 6.4611 6.4611 6.5305 6.5305 6.6281 6.6281 7.0652 7.0652 7.1196 7.1196 7.5450 7.5450 8.8754 8.8754 10.2266 10.2266 10.3665 10.3665 10.7546 10.7546 13.0174 13.0174 13.5987 13.5987 13.6303 13.6303 k = 0.5000-0.2526 0.4338 ( 2942 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5713 -16.5713 -16.5663 -16.5663 4.7731 4.7731 5.5792 5.5792 5.8429 5.8429 5.9242 5.9242 6.4053 6.4053 6.4632 6.4632 6.5340 6.5340 6.6205 6.6205 7.0776 7.0776 7.1285 7.1285 7.5371 7.5371 8.8765 8.8765 10.1542 10.1542 10.3277 10.3277 10.8506 10.8506 13.0275 13.0275 13.5963 13.5963 13.6298 13.6298 k = 0.5000-0.2406 0.4423 ( 2936 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5712 -16.5712 -16.5663 -16.5663 4.7761 4.7761 5.5854 5.5854 5.8424 5.8424 5.9269 5.9269 6.3886 6.3886 6.4645 6.4645 6.5380 6.5380 6.6124 6.6124 7.0836 7.0836 7.1494 7.1494 7.5263 7.5263 8.8781 8.8781 10.0735 10.0735 10.2853 10.2853 10.9533 10.9533 13.0409 13.0409 13.5920 13.5920 13.6300 13.6300 k = 0.5000-0.2285 0.4508 ( 2932 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5712 -16.5712 -16.5663 -16.5663 4.7800 4.7800 5.5931 5.5931 5.8419 5.8419 5.9304 5.9304 6.3691 6.3691 6.4652 6.4652 6.5426 6.5426 6.6051 6.6051 7.0831 7.0831 7.1809 7.1809 7.5130 7.5130 8.8801 8.8801 9.9912 9.9912 10.2366 10.2366 11.0594 11.0594 13.0569 13.0569 13.5852 13.5852 13.6314 13.6314 k = 0.5000-0.2165 0.4593 ( 2936 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5711 -16.5711 -16.5664 -16.5664 4.7846 4.7846 5.6022 5.6022 5.8414 5.8414 5.9346 5.9346 6.3472 6.3472 6.4654 6.4654 6.5474 6.5474 6.5993 6.5993 7.0787 7.0787 7.2177 7.2177 7.4980 7.4980 8.8826 8.8826 9.9100 9.9100 10.1812 10.1812 11.1675 11.1675 13.0747 13.0747 13.5757 13.5757 13.6341 13.6341 k = 0.5000-0.2045 0.4678 ( 2940 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5711 -16.5711 -16.5664 -16.5664 4.7899 4.7899 5.6123 5.6123 5.8410 5.8410 5.9394 5.9394 6.3237 6.3237 6.4652 6.4652 6.5523 6.5523 6.5956 6.5956 7.0724 7.0724 7.2559 7.2559 7.4833 7.4833 8.8855 8.8855 9.8314 9.8314 10.1195 10.1195 11.2768 11.2768 13.0938 13.0938 13.5636 13.5636 13.6378 13.6378 k = 0.5000-0.1925 0.4763 ( 2942 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5710 -16.5710 -16.5665 -16.5665 4.7958 4.7958 5.6234 5.6234 5.8408 5.8408 5.9448 5.9448 6.2997 6.2997 6.4647 6.4647 6.5570 6.5570 6.5942 6.5942 7.0647 7.0647 7.2899 7.2899 7.4730 7.4730 8.8890 8.8890 9.7560 9.7560 10.0524 10.0524 11.3867 11.3867 13.1136 13.1136 13.5489 13.5489 13.6424 13.6424 k = 0.5000-0.1804 0.4848 ( 2938 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5710 -16.5710 -16.5665 -16.5665 4.8024 4.8024 5.6349 5.6349 5.8408 5.8408 5.9508 5.9508 6.2760 6.2760 6.4639 6.4639 6.5614 6.5614 6.5950 6.5950 7.0559 7.0559 7.3106 7.3106 7.4759 7.4759 8.8930 8.8930 9.6844 9.6844 9.9807 9.9807 11.4966 11.4966 13.1338 13.1338 13.5317 13.5317 13.6476 13.6476 k = 0.5000-0.1684 0.4933 ( 2938 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5709 -16.5709 -16.5666 -16.5666 4.8094 4.8094 5.6466 5.6466 5.8411 5.8411 5.9570 5.9570 6.2537 6.2537 6.4628 6.4628 6.5655 6.5655 6.5978 6.5978 7.0460 7.0460 7.3096 7.3096 7.4996 7.4996 8.8976 8.8976 9.6167 9.6167 9.9054 9.9054 11.6061 11.6061 13.1539 13.1539 13.5119 13.5119 13.6533 13.6533 k = 0.5000-0.1564 0.5018 ( 2932 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5708 -16.5708 -16.5667 -16.5667 4.8169 4.8169 5.6581 5.6581 5.8416 5.8416 5.9629 5.9629 6.2340 6.2340 6.4618 6.4618 6.5694 6.5694 6.6024 6.6024 7.0355 7.0355 7.2905 7.2905 7.5405 7.5405 8.9027 8.9027 9.5532 9.5532 9.8273 9.8273 11.7148 11.7148 13.1737 13.1737 13.4895 13.4895 13.6593 13.6593 k = 0.5000-0.1443 0.5103 ( 2934 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5708 -16.5708 -16.5667 -16.5667 4.8246 4.8246 5.6692 5.6692 5.8422 5.8422 5.9679 5.9679 6.2182 6.2182 6.4604 6.4604 6.5730 6.5730 6.6080 6.6080 7.0241 7.0241 7.2610 7.2610 7.5909 7.5909 8.9085 8.9085 9.4938 9.4938 9.7472 9.7472 11.8222 11.8222 13.1931 13.1931 13.4644 13.4644 13.6655 13.6655 k = 0.5000-0.1323 0.5188 ( 2934 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5707 -16.5707 -16.5668 -16.5668 4.8326 4.8326 5.6794 5.6794 5.8432 5.8432 5.9710 5.9710 6.2076 6.2076 6.4592 6.4592 6.5765 6.5765 6.6148 6.6148 7.0122 7.0122 7.2255 7.2255 7.6462 7.6462 8.9148 8.9148 9.4386 9.4386 9.6660 9.6660 11.9281 11.9281 13.2118 13.2118 13.4364 13.4364 13.6718 13.6718 k = 0.5000-0.1203 0.5273 ( 2946 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5706 -16.5706 -16.5669 -16.5669 4.8405 4.8405 5.6885 5.6885 5.8444 5.8444 5.9711 5.9711 6.2037 6.2037 6.4577 6.4577 6.5799 6.5799 6.6219 6.6219 6.9999 6.9999 7.1862 7.1862 7.7043 7.7043 8.9217 8.9217 9.3875 9.3875 9.5844 9.5844 12.0321 12.0321 13.2297 13.2297 13.4055 13.4055 13.6779 13.6779 k = 0.5000-0.1083 0.5358 ( 2946 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5706 -16.5706 -16.5670 -16.5670 4.8483 4.8483 5.6967 5.6967 5.8457 5.8457 5.9680 5.9680 6.2073 6.2073 6.4563 6.4563 6.5835 6.5835 6.6295 6.6295 6.9873 6.9873 7.1447 7.1447 7.7640 7.7640 8.9294 8.9294 9.3404 9.3404 9.5033 9.5033 12.1338 12.1338 13.2466 13.2466 13.3716 13.3716 13.6839 13.6839 k = 0.5000-0.0962 0.5443 ( 2934 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5704 -16.5704 -16.5671 -16.5671 4.8560 4.8560 5.7037 5.7037 5.8473 5.8473 5.9616 5.9616 6.2181 6.2181 6.4549 6.4549 6.5872 6.5872 6.6374 6.6374 6.9748 6.9748 7.1020 7.1020 7.8243 7.8243 8.9379 8.9379 9.2972 9.2972 9.4235 9.4235 12.2330 12.2330 13.2623 13.2623 13.3347 13.3347 13.6896 13.6896 k = 0.5000-0.0842 0.5528 ( 2942 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5704 -16.5704 -16.5672 -16.5672 4.8630 4.8630 5.7096 5.7096 5.8485 5.8485 5.9530 5.9530 6.2349 6.2349 6.4532 6.4532 6.5909 6.5909 6.6447 6.6447 6.9623 6.9623 7.0590 7.0590 7.8842 7.8842 8.9472 8.9472 9.2577 9.2577 9.3458 9.3458 12.3293 12.3293 13.2754 13.2754 13.2957 13.2957 13.6949 13.6949 k = 0.5000-0.0722 0.5613 ( 2946 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5703 -16.5703 -16.5673 -16.5673 4.8697 4.8697 5.7144 5.7144 5.8497 5.8497 5.9432 5.9432 6.2563 6.2563 6.4514 6.4514 6.5948 6.5948 6.6514 6.6514 6.9501 6.9501 7.0169 7.0169 7.9428 7.9428 8.9572 8.9572 9.2217 9.2217 9.2716 9.2716 12.4225 12.4225 13.2486 13.2486 13.2917 13.2917 13.6997 13.6997 k = 0.5000-0.0601 0.5698 ( 2946 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5702 -16.5702 -16.5674 -16.5674 4.8756 4.8756 5.7183 5.7183 5.8507 5.8507 5.9334 5.9334 6.2809 6.2809 6.4492 6.4492 6.5990 6.5990 6.6568 6.6568 6.9382 6.9382 6.9774 6.9774 7.9989 7.9989 8.9681 8.9681 9.1886 9.1886 9.2026 9.2026 12.5125 12.5125 13.2016 13.2016 13.3029 13.3029 13.7039 13.7039 k = 0.5000-0.0481 0.5784 ( 2946 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5702 -16.5702 -16.5674 -16.5674 4.8806 4.8806 5.7214 5.7214 5.8516 5.8516 5.9244 5.9244 6.3068 6.3068 6.4465 6.4465 6.6036 6.6036 6.6604 6.6604 6.9252 6.9252 6.9437 6.9437 8.0506 8.0506 8.9796 8.9796 9.1386 9.1386 9.1606 9.1606 12.5988 12.5988 13.1504 13.1504 13.3126 13.3126 13.7075 13.7075 k = 0.5000-0.0361 0.5869 ( 2954 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5701 -16.5701 -16.5675 -16.5675 4.8846 4.8846 5.7236 5.7236 5.8523 5.8523 5.9168 5.9168 6.3319 6.3319 6.4430 6.4430 6.6089 6.6089 6.6614 6.6614 6.9037 6.9037 6.9252 6.9252 8.0958 8.0958 8.9914 8.9914 9.0851 9.0851 9.1348 9.1348 12.6815 12.6815 13.0953 13.0953 13.3204 13.3204 13.7103 13.7103 k = 0.5000-0.0241 0.5954 ( 2952 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5701 -16.5701 -16.5676 -16.5676 4.8877 4.8877 5.7253 5.7253 5.8529 5.8529 5.9110 5.9110 6.3542 6.3542 6.4387 6.4387 6.6148 6.6148 6.6598 6.6598 6.8815 6.8815 6.9168 6.9168 8.1315 8.1315 9.0023 9.0023 9.0441 9.0441 9.1132 9.1132 12.7604 12.7604 13.0363 13.0363 13.3261 13.3261 13.7124 13.7124 k = 0.5000-0.0120 0.6039 ( 2940 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5700 -16.5700 -16.5676 -16.5676 4.8895 4.8895 5.7263 5.7263 5.8532 5.8532 5.9076 5.9076 6.3709 6.3709 6.4344 6.4344 6.6204 6.6204 6.6565 6.6565 6.8671 6.8671 6.9124 6.9124 8.1548 8.1548 9.0060 9.0060 9.0234 9.0234 9.0975 9.0975 12.8354 12.8354 12.9734 12.9734 13.3297 13.3297 13.7137 13.7137 k = 0.5000-0.0000 0.6124 ( 2936 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5700 -16.5700 -16.5676 -16.5676 4.8902 4.8902 5.7266 5.7266 5.8533 5.8533 5.9064 5.9064 6.3773 6.3773 6.4322 6.4322 6.6229 6.6229 6.6546 6.6546 6.8622 6.8622 6.9109 6.9109 8.1628 8.1628 9.0014 9.0014 9.0229 9.0229 9.0914 9.0914 12.9048 12.9048 12.9080 12.9080 13.3309 13.3309 13.7141 13.7141 k = 0.5000-0.0000 0.6124 ( 2936 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5700 -16.5700 -16.5676 -16.5676 4.8902 4.8902 5.7266 5.7266 5.8533 5.8533 5.9064 5.9064 6.3773 6.3773 6.4322 6.4322 6.6229 6.6229 6.6546 6.6546 6.8622 6.8622 6.9109 6.9109 8.1628 8.1628 9.0014 9.0014 9.0229 9.0229 9.0914 9.0914 12.9048 12.9048 12.9080 12.9080 13.3309 13.3309 13.7141 13.7141 k = 0.4926 0.0127 0.6124 ( 2939 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5700 -16.5700 -16.5676 -16.5676 4.8897 4.8897 5.7268 5.7268 5.8534 5.8534 5.9071 5.9071 6.3738 6.3738 6.4334 6.4334 6.6214 6.6214 6.6554 6.6554 6.8644 6.8644 6.9115 6.9115 8.1567 8.1567 8.9503 8.9503 9.0373 9.0373 9.1377 9.1377 12.8555 12.8555 12.9545 12.9545 13.3321 13.3321 13.7142 13.7142 k = 0.4853 0.0255 0.6124 ( 2953 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5701 -16.5701 -16.5676 -16.5676 4.8883 4.8883 5.7273 5.7273 5.8537 5.8537 5.9092 5.9092 6.3642 6.3642 6.4359 6.4359 6.6177 6.6177 6.6572 6.6572 6.8711 6.8711 6.9131 6.9131 8.1412 8.1412 8.8873 8.8873 9.0290 9.0290 9.2350 9.2350 12.8004 12.8004 13.0011 13.0011 13.3361 13.3361 13.7142 13.7142 k = 0.4779 0.0382 0.6124 ( 2951 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5701 -16.5701 -16.5675 -16.5675 4.8862 4.8862 5.7285 5.7285 5.8543 5.8543 5.9128 5.9128 6.3507 6.3507 6.4387 6.4387 6.6129 6.6129 6.6590 6.6590 6.8818 6.8818 6.9160 6.9160 8.1197 8.1197 8.8248 8.8248 9.0185 9.0185 9.3470 9.3470 12.7410 12.7410 13.0465 13.0465 13.3431 13.3431 13.7141 13.7141 k = 0.4706 0.0509 0.6124 ( 2949 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5701 -16.5701 -16.5675 -16.5675 4.8835 4.8835 5.7304 5.7304 5.8552 5.8552 5.9177 5.9177 6.3345 6.3345 6.4408 6.4408 6.6075 6.6075 6.6599 6.6599 6.8953 6.8953 6.9206 6.9206 8.0946 8.0946 8.7642 8.7642 9.0084 9.0084 9.4669 9.4669 12.6776 12.6776 13.0904 13.0904 13.3529 13.3529 13.7135 13.7135 k = 0.4632 0.0637 0.6124 ( 2949 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5701 -16.5701 -16.5674 -16.5674 4.8801 4.8801 5.7329 5.7329 5.8561 5.8561 5.9238 5.9238 6.3166 6.3166 6.4423 6.4423 6.6018 6.6018 6.6598 6.6598 6.9078 6.9078 6.9296 6.9296 8.0680 8.0680 8.7059 8.7059 8.9991 8.9991 9.5917 9.5917 12.6103 12.6103 13.1329 13.1329 13.3657 13.3657 13.7125 13.7125 k = 0.4559 0.0764 0.6124 ( 2951 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5702 -16.5702 -16.5674 -16.5674 4.8763 4.8763 5.7360 5.7360 5.8570 5.8570 5.9310 5.9310 6.2978 6.2978 6.4430 6.4430 6.5955 6.5955 6.6589 6.6589 6.9154 6.9154 6.9459 6.9459 8.0409 8.0409 8.6503 8.6503 8.9907 8.9907 9.7196 9.7196 12.5392 12.5392 13.1738 13.1738 13.3812 13.3812 13.7107 13.7107 k = 0.4485 0.0891 0.6124 ( 2943 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5702 -16.5702 -16.5673 -16.5673 4.8724 4.8724 5.7398 5.7398 5.8578 5.8578 5.9393 5.9393 6.2788 6.2788 6.4434 6.4434 6.5889 6.5889 6.6574 6.6574 6.9199 6.9199 6.9671 6.9671 8.0145 8.0145 8.5977 8.5977 8.9833 8.9833 9.8493 9.8493 12.4648 12.4648 13.2130 13.2130 13.3994 13.3994 13.7081 13.7081 k = 0.4412 0.1019 0.6124 ( 2941 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5702 -16.5702 -16.5672 -16.5672 4.8682 4.8682 5.7441 5.7441 5.8586 5.8586 5.9482 5.9482 6.2602 6.2602 6.4434 6.4434 6.5817 6.5817 6.6554 6.6554 6.9233 6.9233 6.9901 6.9901 7.9892 7.9892 8.5483 8.5483 8.9767 8.9767 9.9793 9.9793 12.3873 12.3873 13.2504 13.2504 13.4200 13.4200 13.7046 13.7046 k = 0.4338 0.1146 0.6124 ( 2941 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5703 -16.5703 -16.5672 -16.5672 4.8640 4.8640 5.7488 5.7488 5.8592 5.8592 5.9574 5.9574 6.2426 6.2426 6.4432 6.4432 6.5742 6.5742 6.6532 6.6532 6.9261 6.9261 7.0135 7.0135 7.9657 7.9657 8.5024 8.5024 8.9708 8.9708 10.1085 10.1085 12.3070 12.3070 13.2858 13.2858 13.4427 13.4427 13.7002 13.7002 k = 0.4265 0.1274 0.6124 ( 2944 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5703 -16.5703 -16.5672 -16.5672 4.8600 4.8600 5.7537 5.7537 5.8596 5.8596 5.9664 5.9664 6.2264 6.2264 6.4427 6.4427 6.5663 6.5663 6.6509 6.6509 6.9284 6.9284 7.0365 7.0365 7.9443 7.9443 8.4604 8.4604 8.9657 8.9657 10.2356 10.2356 12.2248 12.2248 13.3190 13.3190 13.4673 13.4673 13.6948 13.6948 k = 0.4191 0.1401 0.6124 ( 2940 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5704 -16.5704 -16.5671 -16.5671 4.8563 4.8563 5.7587 5.7587 5.8599 5.8599 5.9750 5.9750 6.2121 6.2121 6.4421 6.4421 6.5585 6.5585 6.6486 6.6486 6.9305 6.9305 7.0583 7.0583 7.9254 7.9254 8.4228 8.4228 8.9614 8.9614 10.3591 10.3591 12.1416 12.1416 13.3498 13.3498 13.4931 13.4931 13.6886 13.6886 k = 0.4118 0.1528 0.6124 ( 2940 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5704 -16.5704 -16.5670 -16.5670 4.8529 4.8529 5.7636 5.7636 5.8602 5.8602 5.9825 5.9825 6.2000 6.2000 6.4415 6.4415 6.5511 6.5511 6.6466 6.6466 6.9322 6.9322 7.0781 7.0781 7.9091 7.9091 8.3898 8.3898 8.9577 8.9577 10.4767 10.4767 12.0589 12.0589 13.3777 13.3777 13.5195 13.5195 13.6818 13.6818 k = 0.4044 0.1656 0.6124 ( 2935 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5704 -16.5704 -16.5670 -16.5670 4.8501 4.8501 5.7683 5.7683 5.8604 5.8604 5.9886 5.9886 6.1903 6.1903 6.4408 6.4408 6.5443 6.5443 6.6448 6.6448 6.9337 6.9337 7.0954 7.0954 7.8956 7.8956 8.3620 8.3620 8.9548 8.9548 10.5856 10.5856 11.9792 11.9792 13.4023 13.4023 13.5454 13.5454 13.6747 13.6747 k = 0.3971 0.1783 0.6124 ( 2931 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5704 -16.5704 -16.5669 -16.5669 4.8477 4.8477 5.7722 5.7722 5.8604 5.8604 5.9932 5.9932 6.1832 6.1832 6.4402 6.4402 6.5386 6.5386 6.6434 6.6434 6.9348 6.9348 7.1096 7.1096 7.8850 7.8850 8.3398 8.3398 8.9526 8.9526 10.6818 10.6818 11.9061 11.9061 13.4230 13.4230 13.5695 13.5695 13.6679 13.6679 k = 0.3897 0.1910 0.6124 ( 2931 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5704 -16.5704 -16.5669 -16.5669 4.8460 4.8460 5.7753 5.7753 5.8605 5.8605 5.9963 5.9963 6.1784 6.1784 6.4396 6.4396 6.5343 6.5343 6.6423 6.6423 6.9355 6.9355 7.1202 7.1202 7.8774 7.8774 8.3235 8.3235 8.9509 8.9509 10.7595 10.7595 11.8452 11.8452 13.4389 13.4389 13.5897 13.5897 13.6622 13.6622 k = 0.3824 0.2038 0.6124 ( 2934 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5704 -16.5704 -16.5669 -16.5669 4.8449 4.8449 5.7772 5.7772 5.8605 5.8605 5.9981 5.9981 6.1757 6.1757 6.4393 6.4393 6.5313 6.5313 6.6416 6.6416 6.9360 6.9360 7.1266 7.1266 7.8728 7.8728 8.3136 8.3136 8.9500 8.9500 10.8111 10.8111 11.8036 11.8036 13.4489 13.4489 13.6034 13.6034 13.6584 13.6584 k = 0.3750 0.2165 0.6124 ( 2932 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5704 -16.5704 -16.5669 -16.5669 4.8446 4.8446 5.7779 5.7779 5.8605 5.8605 5.9986 5.9986 6.1748 6.1748 6.4392 6.4392 6.5304 6.5304 6.6414 6.6414 6.9362 6.9362 7.1289 7.1289 7.8712 7.8712 8.3103 8.3103 8.9496 8.9496 10.8294 10.8294 11.7887 11.7887 13.4524 13.4524 13.6083 13.6083 13.6571 13.6571 k = 0.3750 0.2165 0.6124 ( 2932 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5704 -16.5704 -16.5669 -16.5669 4.8446 4.8446 5.7779 5.7779 5.8605 5.8605 5.9986 5.9986 6.1748 6.1748 6.4392 6.4392 6.5304 6.5304 6.6414 6.6414 6.9362 6.9362 7.1289 7.1289 7.8712 7.8712 8.3103 8.3103 8.9496 8.9496 10.8294 10.8294 11.7887 11.7887 13.4524 13.4524 13.6083 13.6083 13.6571 13.6571 k = 0.3676 0.2123 0.6004 ( 2946 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5704 -16.5704 -16.5670 -16.5670 4.8469 4.8469 5.7863 5.7863 5.8743 5.8743 6.0024 6.0024 6.1740 6.1740 6.4282 6.4282 6.5377 6.5377 6.6469 6.6469 6.9185 6.9185 7.0949 7.0949 7.8902 7.8902 8.2312 8.2312 8.9594 8.9594 10.8756 10.8756 11.8545 11.8545 13.4312 13.4312 13.6621 13.6621 13.6831 13.6831 k = 0.3603 0.2080 0.5884 ( 2938 PWs) bands (ev): -38.0828 -38.0828 -17.0729 -17.0729 -16.5703 -16.5703 -16.5670 -16.5670 4.8478 4.8478 5.7919 5.7919 5.8903 5.8903 6.0052 6.0052 6.1774 6.1774 6.4178 6.4178 6.5453 6.5453 6.6517 6.6517 6.9012 6.9012 7.0616 7.0616 7.8600 7.8600 8.2056 8.2056 8.9701 8.9701 10.9228 10.9228 11.9221 11.9221 13.4084 13.4084 13.6772 13.6772 13.7524 13.7524 k = 0.3529 0.2038 0.5764 ( 2928 PWs) bands (ev): -38.0828 -38.0828 -17.0729 -17.0729 -16.5703 -16.5703 -16.5669 -16.5669 4.8472 4.8472 5.7956 5.7956 5.9068 5.9068 6.0070 6.0070 6.1849 6.1849 6.4081 6.4081 6.5535 6.5535 6.6552 6.6552 6.8836 6.8836 7.0297 7.0297 7.7839 7.7839 8.2307 8.2307 8.9817 8.9817 10.9708 10.9708 11.9917 11.9917 13.3840 13.3840 13.6914 13.6914 13.7995 13.7995 k = 0.3456 0.1995 0.5643 ( 2932 PWs) bands (ev): -38.0828 -38.0828 -17.0729 -17.0729 -16.5702 -16.5702 -16.5669 -16.5669 4.8448 4.8448 5.7976 5.7976 5.9222 5.9222 6.0081 6.0081 6.1967 6.1967 6.3991 6.3991 6.5617 6.5617 6.6564 6.6564 6.8660 6.8660 6.9995 6.9995 7.6873 7.6873 8.2813 8.2813 8.9943 8.9943 11.0197 11.0197 12.0637 12.0637 13.3579 13.3579 13.7068 13.7068 13.7819 13.7819 k = 0.3382 0.1953 0.5523 ( 2940 PWs) bands (ev): -38.0829 -38.0829 -17.0729 -17.0729 -16.5702 -16.5702 -16.5669 -16.5669 4.8403 4.8403 5.7984 5.7984 5.9355 5.9355 6.0088 6.0088 6.2127 6.2127 6.3912 6.3912 6.5701 6.5701 6.6550 6.6550 6.8483 6.8483 6.9719 6.9719 7.5851 7.5851 8.3432 8.3432 9.0079 9.0079 11.0691 11.0691 12.1381 12.1381 13.3301 13.3301 13.7220 13.7220 13.7649 13.7649 k = 0.3309 0.1910 0.5403 ( 2950 PWs) bands (ev): -38.0829 -38.0829 -17.0729 -17.0729 -16.5702 -16.5702 -16.5669 -16.5669 4.8337 4.8337 5.7981 5.7981 5.9460 5.9460 6.0089 6.0089 6.2324 6.2324 6.3843 6.3843 6.5790 6.5790 6.6504 6.6504 6.8303 6.8303 6.9485 6.9485 7.4839 7.4839 8.4105 8.4105 9.0225 9.0225 11.1192 11.1192 12.2154 12.2154 13.3005 13.3005 13.7267 13.7267 13.7598 13.7598 k = 0.3235 0.1868 0.5283 ( 2946 PWs) bands (ev): -38.0829 -38.0829 -17.0728 -17.0728 -16.5701 -16.5701 -16.5668 -16.5668 4.8248 4.8248 5.7965 5.7965 5.9538 5.9538 6.0087 6.0087 6.2554 6.2554 6.3787 6.3787 6.5881 6.5881 6.6423 6.6423 6.8120 6.8120 6.9301 6.9301 7.3867 7.3867 8.4811 8.4811 9.0383 9.0383 11.1699 11.1699 12.2955 12.2955 13.2691 13.2691 13.7116 13.7116 13.7762 13.7762 k = 0.3162 0.1825 0.5163 ( 2946 PWs) bands (ev): -38.0829 -38.0829 -17.0728 -17.0728 -16.5701 -16.5701 -16.5668 -16.5668 4.8132 4.8132 5.7935 5.7935 5.9592 5.9592 6.0076 6.0076 6.2805 6.2805 6.3742 6.3742 6.5976 6.5976 6.6304 6.6304 6.7936 6.7936 6.9169 6.9169 7.2953 7.2953 8.5538 8.5538 9.0555 9.0555 11.2212 11.2212 12.3787 12.3787 13.2360 13.2360 13.6912 13.6912 13.7998 13.7998 k = 0.3088 0.1783 0.5043 ( 2942 PWs) bands (ev): -38.0829 -38.0829 -17.0727 -17.0727 -16.5700 -16.5700 -16.5667 -16.5667 4.7989 4.7989 5.7888 5.7888 5.9628 5.9628 6.0054 6.0054 6.3059 6.3059 6.3717 6.3717 6.6076 6.6076 6.6150 6.6150 6.7758 6.7758 6.9086 6.9086 7.2113 7.2113 8.6282 8.6282 9.0739 9.0739 11.2730 11.2730 12.4649 12.4649 13.2010 13.2010 13.6696 13.6696 13.8269 13.8269 k = 0.3015 0.1741 0.4923 ( 2942 PWs) bands (ev): -38.0829 -38.0829 -17.0727 -17.0727 -16.5700 -16.5700 -16.5666 -16.5666 4.7815 4.7815 5.7822 5.7822 5.9647 5.9647 6.0018 6.0018 6.3264 6.3264 6.3742 6.3742 6.5960 6.5960 6.6183 6.6183 6.7601 6.7601 6.9040 6.9040 7.1361 7.1361 8.7038 8.7038 9.0938 9.0938 11.3253 11.3253 12.5544 12.5544 13.1643 13.1643 13.6474 13.6474 13.8569 13.8569 k = 0.2941 0.1698 0.4803 ( 2950 PWs) bands (ev): -38.0829 -38.0829 -17.0726 -17.0726 -16.5700 -16.5700 -16.5665 -16.5665 4.7608 4.7608 5.7738 5.7738 5.9648 5.9648 5.9971 5.9971 6.3338 6.3338 6.3877 6.3877 6.5754 6.5754 6.6295 6.6295 6.7476 6.7476 6.9010 6.9010 7.0714 7.0714 8.7804 8.7804 9.1153 9.1153 11.3779 11.3779 12.6472 12.6472 13.1257 13.1257 13.6251 13.6251 13.8894 13.8894 k = 0.2868 0.1656 0.4683 ( 2942 PWs) bands (ev): -38.0829 -38.0829 -17.0726 -17.0726 -16.5699 -16.5699 -16.5664 -16.5664 4.7369 4.7369 5.7634 5.7634 5.9626 5.9626 5.9925 5.9925 6.3295 6.3295 6.4074 6.4074 6.5557 6.5557 6.6417 6.6417 6.7399 6.7399 6.8969 6.8969 7.0199 7.0199 8.8581 8.8581 9.1384 9.1384 11.4311 11.4311 12.7432 12.7432 13.0853 13.0853 13.6028 13.6028 13.9247 13.9247 k = 0.2794 0.1613 0.4563 ( 2942 PWs) bands (ev): -38.0829 -38.0829 -17.0725 -17.0725 -16.5698 -16.5698 -16.5663 -16.5663 4.7093 4.7093 5.7514 5.7514 5.9571 5.9571 5.9885 5.9885 6.3188 6.3188 6.4221 6.4221 6.5422 6.5422 6.6547 6.6547 6.7372 6.7372 6.8870 6.8870 6.9857 6.9857 8.9367 8.9367 9.1635 9.1635 11.4846 11.4846 12.8425 12.8425 13.0432 13.0432 13.5806 13.5806 13.9626 13.9626 k = 0.2721 0.1571 0.4443 ( 2942 PWs) bands (ev): -38.0829 -38.0829 -17.0724 -17.0724 -16.5698 -16.5698 -16.5662 -16.5662 4.6779 4.6779 5.7378 5.7378 5.9483 5.9483 5.9851 5.9851 6.3037 6.3037 6.4231 6.4231 6.5418 6.5418 6.6683 6.6683 6.7398 6.7398 6.8693 6.8693 6.9706 6.9706 9.0160 9.0160 9.1904 9.1904 11.5386 11.5386 12.9445 12.9445 12.9997 12.9997 13.5587 13.5587 14.0031 14.0031 k = 0.2647 0.1528 0.4323 ( 2946 PWs) bands (ev): -38.0830 -38.0830 -17.0724 -17.0724 -16.5697 -16.5697 -16.5661 -16.5661 4.6428 4.6428 5.7230 5.7230 5.9372 5.9372 5.9817 5.9817 6.2850 6.2850 6.4101 6.4101 6.5546 6.5546 6.6814 6.6814 6.7477 6.7477 6.8496 6.8496 6.9687 6.9687 9.0960 9.0960 9.2197 9.2197 11.5930 11.5930 12.9529 12.9529 13.0512 13.0512 13.5371 13.5371 14.0461 14.0461 k = 0.2574 0.1486 0.4203 ( 2942 PWs) bands (ev): -38.0830 -38.0830 -17.0723 -17.0723 -16.5696 -16.5696 -16.5660 -16.5660 4.6039 4.6039 5.7075 5.7075 5.9243 5.9243 5.9776 5.9776 6.2636 6.2636 6.3899 6.3899 6.5740 6.5740 6.6928 6.6928 6.7595 6.7595 6.8362 6.8362 6.9735 6.9735 9.1764 9.1764 9.2517 9.2517 11.6478 11.6478 12.9058 12.9058 13.1594 13.1594 13.5161 13.5161 14.0917 14.0917 k = 0.2500 0.1443 0.4082 ( 2952 PWs) bands (ev): -38.0830 -38.0830 -17.0722 -17.0722 -16.5695 -16.5695 -16.5659 -16.5659 4.5613 4.5613 5.6915 5.6915 5.9102 5.9102 5.9722 5.9722 6.2401 6.2401 6.3670 6.3670 6.5951 6.5951 6.7014 6.7014 6.7711 6.7711 6.8350 6.8350 6.9817 6.9817 9.2546 9.2546 9.2890 9.2890 11.7028 11.7028 12.8569 12.8569 13.2698 13.2698 13.4964 13.4964 14.1398 14.1398 k = 0.2426 0.1401 0.3962 ( 2936 PWs) bands (ev): -38.0830 -38.0830 -17.0721 -17.0721 -16.5694 -16.5694 -16.5658 -16.5658 4.5151 4.5151 5.6757 5.6757 5.8954 5.8954 5.9655 5.9655 6.2160 6.2160 6.3435 6.3435 6.6160 6.6160 6.7073 6.7073 6.7803 6.7803 6.8488 6.8488 6.9926 6.9926 9.3129 9.3129 9.3495 9.3495 11.7585 11.7585 12.8064 12.8064 13.3781 13.3781 13.4820 13.4820 14.1902 14.1902 k = 0.2353 0.1358 0.3842 ( 2936 PWs) bands (ev): -38.0830 -38.0830 -17.0720 -17.0720 -16.5693 -16.5693 -16.5657 -16.5657 4.4656 4.4656 5.6604 5.6604 5.8801 5.8801 5.9574 5.9574 6.1911 6.1911 6.3201 6.3201 6.6355 6.6355 6.7108 6.7108 6.7903 6.7903 6.8720 6.8720 7.0054 7.0054 9.3548 9.3548 9.4300 9.4300 11.8144 11.8144 12.7545 12.7545 13.4348 13.4348 13.5221 13.5221 14.2429 14.2429 k = 0.2279 0.1316 0.3722 ( 2936 PWs) bands (ev): -38.0830 -38.0830 -17.0719 -17.0719 -16.5691 -16.5691 -16.5656 -16.5656 4.4131 4.4131 5.6459 5.6459 5.8645 5.8645 5.9480 5.9480 6.1663 6.1663 6.2969 6.2969 6.6530 6.6530 6.7136 6.7136 6.8039 6.8039 6.8989 6.8989 7.0205 7.0205 9.3970 9.3970 9.5137 9.5137 11.8708 11.8708 12.7012 12.7012 13.4239 13.4239 13.6322 13.6322 14.2977 14.2977 k = 0.2206 0.1274 0.3602 ( 2932 PWs) bands (ev): -38.0831 -38.0831 -17.0718 -17.0718 -16.5690 -16.5690 -16.5655 -16.5655 4.3581 4.3581 5.6326 5.6326 5.8489 5.8489 5.9375 5.9375 6.1416 6.1416 6.2741 6.2741 6.6682 6.6682 6.7174 6.7174 6.8215 6.8215 6.9258 6.9258 7.0384 7.0384 9.4416 9.4416 9.5985 9.5985 11.9275 11.9275 12.6467 12.6467 13.4061 13.4061 13.7509 13.7509 14.3544 14.3544 k = 0.2132 0.1231 0.3482 ( 2930 PWs) bands (ev): -38.0831 -38.0831 -17.0717 -17.0717 -16.5688 -16.5688 -16.5654 -16.5654 4.3010 4.3010 5.6206 5.6206 5.8332 5.8332 5.9261 5.9261 6.1173 6.1173 6.2517 6.2517 6.6809 6.6809 6.7231 6.7231 6.8426 6.8426 6.9506 6.9506 7.0598 7.0598 9.4891 9.4891 9.6842 9.6842 11.9845 11.9845 12.5911 12.5911 13.3874 13.3874 13.8708 13.8708 14.4127 14.4127 k = 0.2059 0.1189 0.3362 ( 2938 PWs) bands (ev): -38.0831 -38.0831 -17.0717 -17.0717 -16.5687 -16.5687 -16.5654 -16.5654 4.2422 4.2422 5.6100 5.6100 5.8176 5.8176 5.9140 5.9140 6.0931 6.0931 6.2295 6.2295 6.6915 6.6915 6.7306 6.7306 6.8665 6.8665 6.9719 6.9719 7.0846 7.0846 9.5397 9.5397 9.7706 9.7706 12.0419 12.0419 12.5345 12.5345 13.3688 13.3688 13.9888 13.9888 14.4723 14.4723 k = 0.1985 0.1146 0.3242 ( 2942 PWs) bands (ev): -38.0831 -38.0831 -17.0716 -17.0716 -16.5685 -16.5685 -16.5653 -16.5653 4.1823 4.1823 5.6008 5.6008 5.8023 5.8023 5.9014 5.9014 6.0693 6.0693 6.2079 6.2079 6.7007 6.7007 6.7395 6.7395 6.8928 6.8928 6.9900 6.9900 7.1126 7.1126 9.5933 9.5933 9.8573 9.8573 12.0997 12.0997 12.4771 12.4771 13.3506 13.3506 14.1000 14.1000 14.5330 14.5330 k = 0.1912 0.1104 0.3122 ( 2938 PWs) bands (ev): -38.0831 -38.0831 -17.0714 -17.0714 -16.5683 -16.5683 -16.5652 -16.5652 4.1217 4.1217 5.5933 5.5933 5.7874 5.7874 5.8887 5.8887 6.0458 6.0458 6.1869 6.1869 6.7095 6.7095 6.7489 6.7489 6.9210 6.9210 7.0054 7.0054 7.1424 7.1424 9.6502 9.6502 9.9447 9.9447 12.1577 12.1577 12.4192 12.4192 13.3329 13.3329 14.1954 14.1954 14.5942 14.5942 k = 0.1838 0.1061 0.3002 ( 2924 PWs) bands (ev): -38.0832 -38.0832 -17.0713 -17.0713 -16.5681 -16.5681 -16.5650 -16.5650 4.0607 4.0607 5.5872 5.5872 5.7729 5.7729 5.8758 5.8758 6.0228 6.0228 6.1663 6.1663 6.7185 6.7185 6.7588 6.7588 6.9507 6.9507 7.0189 7.0189 7.1732 7.1732 9.7102 9.7102 10.0322 10.0322 12.2158 12.2158 12.3611 12.3611 13.3160 13.3160 14.2612 14.2612 14.6553 14.6553 k = 0.1765 0.1019 0.2882 ( 2928 PWs) bands (ev): -38.0832 -38.0832 -17.0712 -17.0712 -16.5679 -16.5679 -16.5650 -16.5650 3.9999 3.9999 5.5823 5.5823 5.7589 5.7589 5.8628 5.8628 6.0000 6.0000 6.1463 6.1463 6.7274 6.7274 6.7680 6.7680 6.9813 6.9813 7.0307 7.0307 7.2038 7.2038 9.7735 9.7735 10.1196 10.1196 12.2705 12.2705 12.3063 12.3063 13.2998 13.2998 14.2901 14.2901 14.7156 14.7156 k = 0.1691 0.0976 0.2762 ( 2922 PWs) bands (ev): -38.0832 -38.0832 -17.0711 -17.0711 -16.5677 -16.5677 -16.5649 -16.5649 3.9397 3.9397 5.5787 5.5787 5.7455 5.7455 5.8498 5.8498 5.9776 5.9776 6.1270 6.1270 6.7364 6.7364 6.7769 6.7769 7.0127 7.0127 7.0418 7.0418 7.2340 7.2340 9.8398 9.8398 10.2068 10.2068 12.2403 12.2403 12.3366 12.3366 13.2846 13.2846 14.2915 14.2915 14.7742 14.7742 k = 0.1618 0.0934 0.2642 ( 2918 PWs) bands (ev): -38.0832 -38.0832 -17.0710 -17.0710 -16.5675 -16.5675 -16.5648 -16.5648 3.8802 3.8802 5.5762 5.5762 5.7327 5.7327 5.8368 5.8368 5.9557 5.9557 6.1083 6.1083 6.7457 6.7457 6.7854 6.7854 7.0430 7.0430 7.0538 7.0538 7.2632 7.2632 9.9091 9.9091 10.2934 10.2934 12.1823 12.1823 12.3952 12.3952 13.2707 13.2707 14.2790 14.2790 14.8300 14.8300 k = 0.1544 0.0891 0.2522 ( 2916 PWs) bands (ev): -38.0832 -38.0832 -17.0708 -17.0708 -16.5673 -16.5673 -16.5648 -16.5648 3.8219 3.8219 5.5747 5.5747 5.7205 5.7205 5.8241 5.8241 5.9343 5.9343 6.0904 6.0904 6.7548 6.7548 6.7933 6.7933 7.0589 7.0589 7.0800 7.0800 7.2912 7.2912 9.9813 9.9813 10.3792 10.3792 12.1239 12.1239 12.4546 12.4546 13.2583 13.2583 14.2609 14.2609 14.8821 14.8821 k = 0.1471 0.0849 0.2401 ( 2924 PWs) bands (ev): -38.0833 -38.0833 -17.0708 -17.0708 -16.5671 -16.5671 -16.5647 -16.5647 3.7651 3.7651 5.5739 5.5739 5.7088 5.7088 5.8114 5.8114 5.9133 5.9133 6.0733 6.0733 6.7638 6.7638 6.8008 6.8008 7.0681 7.0681 7.1124 7.1124 7.3177 7.3177 10.0559 10.0559 10.4637 10.4637 12.0658 12.0658 12.5143 12.5143 13.2477 13.2477 14.2416 14.2416 14.9288 14.9288 k = 0.1397 0.0807 0.2281 ( 2924 PWs) bands (ev): -38.0833 -38.0833 -17.0707 -17.0707 -16.5669 -16.5669 -16.5647 -16.5647 3.7098 3.7098 5.5739 5.5739 5.6980 5.6980 5.7990 5.7990 5.8929 5.8929 6.0570 6.0570 6.7726 6.7726 6.8078 6.8078 7.0763 7.0763 7.1454 7.1454 7.3427 7.3427 10.1331 10.1331 10.5466 10.5466 12.0085 12.0085 12.5743 12.5743 13.2392 13.2392 14.2233 14.2233 14.9690 14.9690 k = 0.1324 0.0764 0.2161 ( 2912 PWs) bands (ev): -38.0833 -38.0833 -17.0705 -17.0705 -16.5666 -16.5666 -16.5646 -16.5646 3.6565 3.6565 5.5747 5.5747 5.6881 5.6881 5.7870 5.7870 5.8732 5.8732 6.0419 6.0419 6.7811 6.7811 6.8142 6.8142 7.0840 7.0840 7.1786 7.1786 7.3665 7.3665 10.2123 10.2123 10.6275 10.6275 11.9521 11.9521 12.6343 12.6343 13.2333 13.2333 14.2073 14.2073 15.0014 15.0014 k = 0.1250 0.0722 0.2041 ( 2912 PWs) bands (ev): -38.0833 -38.0833 -17.0704 -17.0704 -16.5664 -16.5664 -16.5645 -16.5645 3.6052 3.6052 5.5758 5.5758 5.6788 5.6788 5.7751 5.7751 5.8541 5.8541 6.0276 6.0276 6.7893 6.7893 6.8202 6.8202 7.0912 7.0912 7.2114 7.2114 7.3885 7.3885 10.2932 10.2932 10.7058 10.7058 11.8968 11.8968 12.6944 12.6944 13.2302 13.2302 14.1943 14.1943 15.0252 15.0252 k = 0.1176 0.0679 0.1921 ( 2912 PWs) bands (ev): -38.0833 -38.0833 -17.0703 -17.0703 -16.5662 -16.5662 -16.5645 -16.5645 3.5562 3.5562 5.5773 5.5773 5.6702 5.6702 5.7636 5.7636 5.8356 5.8356 6.0143 6.0143 6.7971 6.7971 6.8256 6.8256 7.0980 7.0980 7.2437 7.2437 7.4089 7.4089 10.3753 10.3753 10.7811 10.7811 11.8431 11.8431 12.7543 12.7543 13.2303 13.2303 14.1850 14.1850 15.0400 15.0400 k = 0.1103 0.0637 0.1801 ( 2910 PWs) bands (ev): -38.0834 -38.0834 -17.0702 -17.0702 -16.5660 -16.5660 -16.5645 -16.5645 3.5095 3.5095 5.5792 5.5792 5.6625 5.6625 5.7525 5.7525 5.8179 5.8179 6.0020 6.0020 6.8045 6.8045 6.8306 6.8306 7.1044 7.1044 7.2752 7.2752 7.4276 7.4276 10.4581 10.4581 10.8528 10.8528 11.7910 11.7910 12.8141 12.8141 13.2337 13.2337 14.1798 14.1798 15.0460 15.0460 k = 0.1029 0.0594 0.1681 ( 2900 PWs) bands (ev): -38.0834 -38.0834 -17.0701 -17.0701 -16.5658 -16.5658 -16.5644 -16.5644 3.4654 3.4654 5.5815 5.5815 5.6557 5.6557 5.7417 5.7417 5.8009 5.8009 5.9909 5.9909 6.8114 6.8114 6.8350 6.8350 7.1103 7.1103 7.3064 7.3064 7.4450 7.4450 10.5412 10.5412 10.9205 10.9205 11.7411 11.7411 12.8735 12.8735 13.2407 13.2407 14.1792 14.1792 15.0441 15.0441 k = 0.0956 0.0552 0.1561 ( 2900 PWs) bands (ev): -38.0834 -38.0834 -17.0700 -17.0700 -16.5656 -16.5656 -16.5644 -16.5644 3.4238 3.4238 5.5838 5.5838 5.6495 5.6495 5.7312 5.7312 5.7845 5.7845 5.9808 5.9808 6.8179 6.8179 6.8389 6.8389 7.1158 7.1158 7.3363 7.3363 7.4608 7.4608 10.6237 10.6237 10.9839 10.9839 11.6934 11.6934 12.9323 12.9323 13.2512 13.2512 14.1836 14.1836 15.0351 15.0351 k = 0.0882 0.0509 0.1441 ( 2896 PWs) bands (ev): -38.0834 -38.0834 -17.0699 -17.0699 -16.5654 -16.5654 -16.5643 -16.5643 3.3850 3.3850 5.5863 5.5863 5.6441 5.6441 5.7212 5.7212 5.7689 5.7689 5.9718 5.9718 6.8240 6.8240 6.8424 6.8424 7.1209 7.1209 7.3651 7.3651 7.4752 7.4752 10.7050 10.7050 11.0425 11.0425 11.6484 11.6484 12.9903 12.9903 13.2651 13.2651 14.1935 14.1935 15.0202 15.0202 k = 0.0809 0.0467 0.1321 ( 2896 PWs) bands (ev): -38.0834 -38.0834 -17.0698 -17.0698 -16.5652 -16.5652 -16.5643 -16.5643 3.3491 3.3491 5.5890 5.5890 5.6395 5.6395 5.7115 5.7115 5.7541 5.7541 5.9637 5.9637 6.8295 6.8295 6.8454 6.8454 7.1256 7.1256 7.3924 7.3924 7.4882 7.4882 10.7842 10.7842 11.0961 11.0961 11.6062 11.6062 13.0473 13.0473 13.2820 13.2820 14.2095 14.2095 15.0007 15.0007 k = 0.0735 0.0425 0.1201 ( 2900 PWs) bands (ev): -38.0835 -38.0835 -17.0698 -17.0698 -16.5651 -16.5651 -16.5643 -16.5643 3.3160 3.3160 5.5917 5.5917 5.6356 5.6356 5.7022 5.7022 5.7399 5.7399 5.9566 5.9566 6.8348 6.8348 6.8482 6.8482 7.1301 7.1301 7.4180 7.4180 7.4998 7.4998 10.8601 10.8601 11.1448 11.1448 11.5675 11.5675 13.1029 13.1029 13.3012 13.3012 14.2323 14.2323 14.9777 14.9777 k = 0.0662 0.0382 0.1081 ( 2904 PWs) bands (ev): -38.0835 -38.0835 -17.0697 -17.0697 -16.5649 -16.5649 -16.5643 -16.5643 3.2859 3.2859 5.5947 5.5947 5.6325 5.6325 5.6934 5.6934 5.7265 5.7265 5.9506 5.9506 6.8394 6.8394 6.8504 6.8504 7.1340 7.1340 7.4420 7.4420 7.5102 7.5102 10.9316 10.9316 11.1887 11.1887 11.5324 11.5324 13.1568 13.1568 13.3220 13.3220 14.2624 14.2624 14.9521 14.9521 k = 0.0588 0.0340 0.0961 ( 2898 PWs) bands (ev): -38.0835 -38.0835 -17.0696 -17.0696 -16.5648 -16.5648 -16.5643 -16.5643 3.2587 3.2587 5.5979 5.5979 5.6301 5.6301 5.6851 5.6851 5.7139 5.7139 5.9454 5.9454 6.8435 6.8435 6.8523 6.8523 7.1375 7.1375 7.4642 7.4642 7.5195 7.5195 10.9973 10.9973 11.2282 11.2282 11.5015 11.5015 13.2083 13.2083 13.3435 13.3435 14.3005 14.3005 14.9252 14.9252 k = 0.0515 0.0297 0.0841 ( 2906 PWs) bands (ev): -38.0835 -38.0835 -17.0696 -17.0696 -16.5647 -16.5647 -16.5643 -16.5643 3.2347 3.2347 5.6013 5.6013 5.6284 5.6284 5.6773 5.6773 5.7020 5.7020 5.9410 5.9410 6.8471 6.8471 6.8539 6.8539 7.1406 7.1406 7.4840 7.4840 7.5274 7.5274 11.0554 11.0554 11.2638 11.2638 11.4752 11.4752 13.2570 13.2570 13.3647 13.3647 14.3469 14.3469 14.8978 14.8978 k = 0.0441 0.0255 0.0720 ( 2908 PWs) bands (ev): -38.0835 -38.0835 -17.0696 -17.0696 -16.5646 -16.5646 -16.5643 -16.5643 3.2138 3.2138 5.6050 5.6050 5.6274 5.6274 5.6701 5.6701 5.6907 5.6907 5.9374 5.9374 6.8503 6.8503 6.8553 6.8553 7.1433 7.1433 7.5017 7.5017 7.5343 7.5343 11.1043 11.1043 11.2964 11.2964 11.4538 11.4538 13.3020 13.3020 13.3847 13.3847 14.4018 14.4018 14.8710 14.8710 k = 0.0368 0.0212 0.0600 ( 2916 PWs) bands (ev): -38.0835 -38.0835 -17.0695 -17.0695 -16.5645 -16.5645 -16.5643 -16.5643 3.1961 3.1961 5.6090 5.6090 5.6270 5.6270 5.6633 5.6633 5.6801 5.6801 5.9345 5.9345 6.8528 6.8528 6.8563 6.8563 7.1455 7.1455 7.5170 7.5170 7.5400 7.5400 11.1425 11.1425 11.3266 11.3266 11.4375 11.4375 13.3426 13.3426 13.4026 13.4026 14.4649 14.4649 14.8457 14.8457 k = 0.0294 0.0170 0.0480 ( 2912 PWs) bands (ev): -38.0835 -38.0835 -17.0695 -17.0695 -16.5644 -16.5644 -16.5642 -16.5642 3.1815 3.1815 5.6134 5.6134 5.6272 5.6272 5.6574 5.6574 5.6704 5.6704 5.9323 5.9323 6.8550 6.8550 6.8573 6.8573 7.1475 7.1475 7.5297 7.5297 7.5446 7.5446 11.1698 11.1698 11.3542 11.3542 11.4262 11.4262 13.3779 13.3779 13.4179 13.4179 14.5352 14.5352 14.8229 14.8229 k = 0.0221 0.0127 0.0360 ( 2902 PWs) bands (ev): -38.0835 -38.0835 -17.0694 -17.0694 -16.5643 -16.5643 -16.5642 -16.5642 3.1701 3.1701 5.6182 5.6182 5.6281 5.6281 5.6521 5.6521 5.6616 5.6616 5.9306 5.9306 6.8568 6.8568 6.8582 6.8582 7.1491 7.1491 7.5397 7.5397 7.5482 7.5482 11.1875 11.1875 11.3782 11.3782 11.4191 11.4191 13.4069 13.4069 13.4301 13.4301 14.6106 14.6106 14.8033 14.8033 k = 0.0147 0.0085 0.0240 ( 2891 PWs) bands (ev): -38.0835 -38.0835 -17.0694 -17.0694 -16.5642 -16.5642 -16.5642 -16.5642 3.1620 3.1620 5.6233 5.6233 5.6293 5.6293 5.6478 5.6478 5.6536 5.6536 5.9294 5.9294 6.8583 6.8583 6.8589 6.8589 7.1505 7.1505 7.5470 7.5470 7.5507 7.5507 11.1979 11.1979 11.3969 11.3969 11.4152 11.4152 13.4284 13.4284 13.4390 13.4390 14.6861 14.6861 14.7879 14.7879 k = 0.0074 0.0042 0.0120 ( 2891 PWs) bands (ev): -38.0835 -38.0835 -17.0694 -17.0694 -16.5642 -16.5642 -16.5642 -16.5642 3.1571 3.1571 5.6283 5.6283 5.6305 5.6305 5.6446 5.6446 5.6468 5.6468 5.9287 5.9287 6.8590 6.8590 6.8592 6.8592 7.1511 7.1511 7.5513 7.5513 7.5523 7.5523 11.2030 11.2030 11.4088 11.4088 11.4134 11.4134 13.4417 13.4417 13.4444 13.4444 14.7476 14.7476 14.7809 14.7809 k = 0.0000 0.0000 0.0000 ( 2891 PWs) bands (ev): -38.0835 -38.0835 -17.0694 -17.0694 -16.5642 -16.5642 -16.5642 -16.5642 3.1555 3.1555 5.6311 5.6311 5.6311 5.6311 5.6434 5.6434 5.6434 5.6434 5.9285 5.9285 6.8593 6.8593 6.8593 6.8593 7.1513 7.1513 7.5528 7.5528 7.5528 7.5528 11.2045 11.2045 11.4129 11.4129 11.4129 11.4129 13.4462 13.4462 13.4462 13.4462 14.7631 14.7631 14.7903 14.7903 k = 0.0000 0.0000 0.0000 ( 2891 PWs) bands (ev): -38.0835 -38.0835 -17.0694 -17.0694 -16.5642 -16.5642 -16.5642 -16.5642 3.1555 3.1555 5.6311 5.6311 5.6311 5.6311 5.6434 5.6434 5.6434 5.6434 5.9285 5.9285 6.8593 6.8593 6.8593 6.8593 7.1513 7.1513 7.5528 7.5528 7.5528 7.5528 11.2045 11.2045 11.4129 11.4129 11.4129 11.4129 13.4462 13.4462 13.4462 13.4462 14.7631 14.7631 14.7903 14.7903 k = 0.0119 0.0069 0.0049 ( 2891 PWs) bands (ev): -38.0835 -38.0835 -17.0694 -17.0694 -16.5642 -16.5642 -16.5642 -16.5642 3.1571 3.1571 5.6289 5.6289 5.6299 5.6299 5.6450 5.6450 5.6464 5.6464 5.9287 5.9287 6.8591 6.8591 6.8592 6.8592 7.1511 7.1511 7.5517 7.5517 7.5519 7.5519 11.2030 11.2030 11.4086 11.4086 11.4138 11.4138 13.4431 13.4431 13.4431 13.4431 14.7474 14.7474 14.7812 14.7812 k = 0.0238 0.0137 0.0097 ( 2891 PWs) bands (ev): -38.0835 -38.0835 -17.0694 -17.0694 -16.5642 -16.5642 -16.5642 -16.5642 3.1619 3.1619 5.6249 5.6249 5.6274 5.6274 5.6488 5.6488 5.6528 5.6528 5.9294 5.9294 6.8584 6.8584 6.8588 6.8588 7.1505 7.1505 7.5486 7.5486 7.5492 7.5492 11.1977 11.1977 11.3965 11.3965 11.4162 11.4162 13.4340 13.4340 13.4340 13.4340 14.6848 14.6848 14.7902 14.7902 k = 0.0357 0.0206 0.0146 ( 2900 PWs) bands (ev): -38.0835 -38.0835 -17.0694 -17.0694 -16.5643 -16.5643 -16.5642 -16.5642 3.1699 3.1699 5.6210 5.6210 5.6247 5.6247 5.6537 5.6537 5.6605 5.6605 5.9305 5.9305 6.8573 6.8573 6.8578 6.8578 7.1491 7.1491 7.5435 7.5435 7.5447 7.5447 11.1861 11.1861 11.3793 11.3793 11.4203 11.4203 13.4192 13.4192 13.4193 13.4193 14.6066 14.6066 14.8106 14.8106 k = 0.0476 0.0275 0.0194 ( 2906 PWs) bands (ev): -38.0835 -38.0835 -17.0695 -17.0695 -16.5644 -16.5644 -16.5642 -16.5642 3.1811 3.1811 5.6177 5.6177 5.6222 5.6222 5.6592 5.6592 5.6690 5.6690 5.9322 5.9322 6.8558 6.8558 6.8570 6.8570 7.1477 7.1477 7.5363 7.5363 7.5385 7.5385 11.1641 11.1641 11.3616 11.3616 11.4259 11.4259 13.3995 13.3995 13.3997 13.3997 14.5267 14.5267 14.8389 14.8389 k = 0.0595 0.0344 0.0243 ( 2918 PWs) bands (ev): -38.0835 -38.0835 -17.0695 -17.0695 -16.5645 -16.5645 -16.5643 -16.5643 3.1954 3.1954 5.6152 5.6152 5.6201 5.6201 5.6651 5.6651 5.6784 5.6784 5.9344 5.9344 6.8536 6.8536 6.8557 6.8557 7.1456 7.1456 7.5272 7.5272 7.5306 7.5306 11.1272 11.1272 11.3486 11.3486 11.4330 11.4330 13.3756 13.3756 13.3759 13.3759 14.4495 14.4495 14.8740 14.8740 k = 0.0714 0.0412 0.0292 ( 2912 PWs) bands (ev): -38.0835 -38.0835 -17.0696 -17.0696 -16.5646 -16.5646 -16.5643 -16.5643 3.2128 3.2128 5.6135 5.6135 5.6184 5.6184 5.6718 5.6718 5.6886 5.6886 5.9371 5.9371 6.8513 6.8513 6.8544 6.8544 7.1434 7.1434 7.5161 7.5161 7.5210 7.5210 11.0737 11.0737 11.3426 11.3426 11.4414 11.4414 13.3486 13.3486 13.3490 13.3490 14.3766 14.3766 14.9151 14.9151 k = 0.0833 0.0481 0.0340 ( 2912 PWs) bands (ev): -38.0835 -38.0835 -17.0696 -17.0696 -16.5647 -16.5647 -16.5643 -16.5643 3.2334 3.2334 5.6126 5.6126 5.6173 5.6173 5.6788 5.6788 5.6995 5.6995 5.9407 5.9407 6.8483 6.8483 6.8526 6.8526 7.1404 7.1404 7.5032 7.5032 7.5099 7.5099 11.0049 11.0049 11.3432 11.3432 11.4510 11.4510 13.3191 13.3191 13.3198 13.3198 14.3088 14.3088 14.9612 14.9612 k = 0.0952 0.0550 0.0389 ( 2912 PWs) bands (ev): -38.0835 -38.0835 -17.0697 -17.0697 -16.5648 -16.5648 -16.5643 -16.5643 3.2570 3.2570 5.6125 5.6125 5.6164 5.6164 5.6861 5.6861 5.7110 5.7110 5.9448 5.9448 6.8452 6.8452 6.8505 6.8505 7.1373 7.1373 7.4884 7.4884 7.4971 7.4971 10.9232 10.9232 11.3485 11.3485 11.4616 11.4616 13.2882 13.2882 13.2890 13.2890 14.2460 14.2460 15.0115 15.0115 k = 0.1071 0.0619 0.0437 ( 2909 PWs) bands (ev): -38.0835 -38.0835 -17.0697 -17.0697 -16.5649 -16.5649 -16.5643 -16.5643 3.2836 3.2836 5.6134 5.6134 5.6159 5.6159 5.6941 5.6941 5.7232 5.7232 5.9496 5.9496 6.8418 6.8418 6.8480 6.8480 7.1337 7.1337 7.4718 7.4718 7.4828 7.4828 10.8309 10.8309 11.3572 11.3572 11.4731 11.4731 13.2566 13.2566 13.2575 13.2575 14.1883 14.1883 15.0653 15.0653 k = 0.1190 0.0687 0.0486 ( 2909 PWs) bands (ev): -38.0835 -38.0835 -17.0698 -17.0698 -16.5651 -16.5651 -16.5643 -16.5643 3.3133 3.3133 5.6149 5.6149 5.6160 5.6160 5.7023 5.7023 5.7359 5.7359 5.9552 5.9552 6.8378 6.8378 6.8451 6.8451 7.1296 7.1296 7.4537 7.4537 7.4671 7.4671 10.7300 10.7300 11.3682 11.3682 11.4852 11.4852 13.2249 13.2249 13.2259 13.2259 14.1352 14.1352 15.1219 15.1219 k = 0.1310 0.0756 0.0535 ( 2912 PWs) bands (ev): -38.0834 -38.0834 -17.0699 -17.0699 -16.5653 -16.5653 -16.5643 -16.5643 3.3458 3.3458 5.6165 5.6165 5.6173 5.6173 5.7110 5.7110 5.7491 5.7491 5.9617 5.9617 6.8335 6.8335 6.8416 6.8416 7.1250 7.1250 7.4340 7.4340 7.4501 7.4501 10.6219 10.6219 11.3807 11.3807 11.4976 11.4976 13.1940 13.1940 13.1950 13.1950 14.0865 14.0865 15.1806 15.1806 k = 0.1429 0.0825 0.0583 ( 2899 PWs) bands (ev): -38.0834 -38.0834 -17.0699 -17.0699 -16.5654 -16.5654 -16.5643 -16.5643 3.3812 3.3812 5.6175 5.6175 5.6207 5.6207 5.7203 5.7203 5.7630 5.7630 5.9692 5.9692 6.8288 6.8288 6.8379 6.8379 7.1200 7.1200 7.4128 7.4128 7.4319 7.4319 10.5079 10.5079 11.3944 11.3944 11.5103 11.5103 13.1645 13.1645 13.1654 13.1654 14.0418 14.0418 15.2410 15.2410 k = 0.1548 0.0894 0.0632 ( 2911 PWs) bands (ev): -38.0834 -38.0834 -17.0700 -17.0700 -16.5657 -16.5657 -16.5643 -16.5643 3.4194 3.4194 5.6189 5.6189 5.6246 5.6246 5.7298 5.7298 5.7772 5.7772 5.9773 5.9773 6.8236 6.8236 6.8334 6.8334 7.1143 7.1143 7.3900 7.3900 7.4122 7.4122 10.3889 10.3889 11.4085 11.4085 11.5226 11.5226 13.1368 13.1368 13.1375 13.1375 14.0006 14.0006 15.3024 15.3024 k = 0.1667 0.0962 0.0680 ( 2917 PWs) bands (ev): -38.0834 -38.0834 -17.0701 -17.0701 -16.5659 -16.5659 -16.5644 -16.5644 3.4603 3.4603 5.6208 5.6208 5.6294 5.6294 5.7401 5.7401 5.7919 5.7919 5.9863 5.9863 6.8180 6.8180 6.8284 6.8284 7.1080 7.1080 7.3660 7.3660 7.3916 7.3916 10.2660 10.2660 11.4228 11.4228 11.5346 11.5346 13.1116 13.1116 13.1119 13.1119 13.9626 13.9626 15.3640 15.3640 k = 0.1786 0.1031 0.0729 ( 2917 PWs) bands (ev): -38.0834 -38.0834 -17.0702 -17.0702 -16.5661 -16.5661 -16.5644 -16.5644 3.5038 3.5038 5.6233 5.6233 5.6350 5.6350 5.7510 5.7510 5.8071 5.8071 5.9962 5.9962 6.8121 6.8121 6.8229 6.8229 7.1013 7.1013 7.3408 7.3408 7.3700 7.3700 10.1399 10.1399 11.4369 11.4369 11.5458 11.5458 13.0891 13.0891 13.0894 13.0894 13.9275 13.9275 15.4245 15.4245 k = 0.1905 0.1100 0.0778 ( 2917 PWs) bands (ev): -38.0834 -38.0834 -17.0703 -17.0703 -16.5663 -16.5663 -16.5644 -16.5644 3.5498 3.5498 5.6264 5.6264 5.6413 5.6413 5.7626 5.7626 5.8226 5.8226 6.0069 6.0069 6.8059 6.8059 6.8169 6.8169 7.0940 7.0940 7.3144 7.3144 7.3475 7.3475 10.0114 10.0114 11.4506 11.4506 11.5560 11.5560 13.0694 13.0694 13.0706 13.0706 13.8948 13.8948 15.4715 15.4715 k = 0.2024 0.1168 0.0826 ( 2929 PWs) bands (ev): -38.0833 -38.0833 -17.0704 -17.0704 -16.5666 -16.5666 -16.5644 -16.5644 3.5983 3.5983 5.6301 5.6301 5.6482 5.6482 5.7746 5.7746 5.8383 5.8383 6.0182 6.0182 6.7994 6.7994 6.8103 6.8103 7.0862 7.0862 7.2869 7.2869 7.3241 7.3241 9.8810 9.8810 11.4633 11.4633 11.5649 11.5649 13.0534 13.0534 13.0556 13.0556 13.8644 13.8644 15.3975 15.3975 k = 0.2143 0.1237 0.0875 ( 2917 PWs) bands (ev): -38.0833 -38.0833 -17.0705 -17.0705 -16.5668 -16.5668 -16.5644 -16.5644 3.6490 3.6490 5.6345 5.6345 5.6561 5.6561 5.7876 5.7876 5.8547 5.8547 6.0305 6.0305 6.7926 6.7926 6.8033 6.8033 7.0777 7.0777 7.2587 7.2587 7.3002 7.3002 9.7494 9.7494 11.4751 11.4751 11.5723 11.5723 13.0413 13.0413 13.0448 13.0448 13.8361 13.8361 15.2796 15.2796 k = 0.2262 0.1306 0.0923 ( 2917 PWs) bands (ev): -38.0833 -38.0833 -17.0706 -17.0706 -16.5670 -16.5670 -16.5644 -16.5644 3.7019 3.7019 5.6397 5.6397 5.6645 5.6645 5.8014 5.8014 5.8712 5.8712 6.0433 6.0433 6.7855 6.7855 6.7957 6.7957 7.0687 7.0687 7.2295 7.2295 7.2755 7.2755 9.6170 9.6170 11.4854 11.4854 11.5779 11.5779 13.0333 13.0333 13.0384 13.0384 13.8095 13.8095 15.1603 15.1603 k = 0.2381 0.1375 0.0972 ( 2923 PWs) bands (ev): -38.0833 -38.0833 -17.0707 -17.0707 -16.5673 -16.5673 -16.5644 -16.5644 3.7567 3.7567 5.6456 5.6456 5.6735 5.6735 5.8158 5.8158 5.8879 5.8879 6.0566 6.0566 6.7779 6.7779 6.7876 6.7876 7.0589 7.0589 7.1994 7.1994 7.2502 7.2502 9.4843 9.4843 11.4941 11.4941 11.5817 11.5817 13.0298 13.0298 13.0367 13.0367 13.7844 13.7844 15.0426 15.0426 k = 0.2500 0.1443 0.1021 ( 2926 PWs) bands (ev): -38.0833 -38.0833 -17.0708 -17.0708 -16.5675 -16.5675 -16.5644 -16.5644 3.8134 3.8134 5.6522 5.6522 5.6831 5.6831 5.8311 5.8311 5.9049 5.9049 6.0705 6.0705 6.7703 6.7703 6.7791 6.7791 7.0487 7.0487 7.1687 7.1687 7.2245 7.2245 9.3516 9.3516 11.5011 11.5011 11.5834 11.5834 13.0309 13.0309 13.0396 13.0396 13.7608 13.7608 14.9275 14.9275 k = 0.2619 0.1512 0.1069 ( 2917 PWs) bands (ev): -38.0832 -38.0832 -17.0709 -17.0709 -16.5678 -16.5678 -16.5644 -16.5644 3.8717 3.8717 5.6602 5.6602 5.6932 5.6932 5.8473 5.8473 5.9220 5.9220 6.0849 6.0849 6.7625 6.7625 6.7703 6.7703 7.0379 7.0379 7.1376 7.1376 7.1986 7.1986 9.2196 9.2196 11.5064 11.5064 11.5832 11.5832 13.0366 13.0366 13.0474 13.0474 13.7385 13.7385 14.8156 14.8156 k = 0.2738 0.1581 0.1118 ( 2926 PWs) bands (ev): -38.0832 -38.0832 -17.0710 -17.0710 -16.5680 -16.5680 -16.5645 -16.5645 3.9314 3.9314 5.6688 5.6688 5.7037 5.7037 5.8640 5.8640 5.9392 5.9392 6.0996 6.0996 6.7546 6.7546 6.7612 6.7612 7.0264 7.0264 7.1057 7.1057 7.1722 7.1722 9.0882 9.0882 11.5098 11.5098 11.5811 11.5811 13.0470 13.0470 13.0598 13.0598 13.7173 13.7173 14.7074 14.7074 k = 0.2857 0.1650 0.1166 ( 2926 PWs) bands (ev): -38.0832 -38.0832 -17.0711 -17.0711 -16.5683 -16.5683 -16.5645 -16.5645 3.9922 3.9922 5.6787 5.6787 5.7146 5.7146 5.8817 5.8817 5.9565 5.9565 6.1146 6.1146 6.7465 6.7465 6.7518 6.7518 7.0144 7.0144 7.0736 7.0736 7.1457 7.1457 8.9579 8.9579 11.5115 11.5115 11.5772 11.5772 13.0619 13.0619 13.0767 13.0767 13.6972 13.6972 14.6034 14.6034 k = 0.2976 0.1718 0.1215 ( 2926 PWs) bands (ev): -38.0832 -38.0832 -17.0712 -17.0712 -16.5685 -16.5685 -16.5645 -16.5645 4.0540 4.0540 5.6896 5.6896 5.7259 5.7259 5.9002 5.9002 5.9739 5.9739 6.1299 6.1299 6.7384 6.7384 6.7423 6.7423 7.0014 7.0014 7.0414 7.0414 7.1192 7.1192 8.8291 8.8291 11.5115 11.5115 11.5717 11.5717 13.0812 13.0812 13.0979 13.0979 13.6780 13.6780 14.5040 14.5040 k = 0.3095 0.1787 0.1264 ( 2929 PWs) bands (ev): -38.0832 -38.0832 -17.0713 -17.0713 -16.5687 -16.5687 -16.5645 -16.5645 4.1163 4.1163 5.7018 5.7018 5.7373 5.7373 5.9193 5.9193 5.9911 5.9911 6.1453 6.1453 6.7302 6.7302 6.7327 6.7327 6.9866 6.9866 7.0105 7.0105 7.0927 7.0927 8.7019 8.7019 11.5100 11.5100 11.5648 11.5648 13.1046 13.1046 13.1230 13.1230 13.6596 13.6596 14.4095 14.4095 k = 0.3214 0.1856 0.1312 ( 2929 PWs) bands (ev): -38.0831 -38.0831 -17.0714 -17.0714 -16.5690 -16.5690 -16.5645 -16.5645 4.1788 4.1788 5.7151 5.7151 5.7490 5.7490 5.9393 5.9393 6.0083 6.0083 6.1608 6.1608 6.7221 6.7221 6.7232 6.7232 6.9654 6.9654 6.9854 6.9854 7.0664 7.0664 8.5768 8.5768 11.5071 11.5071 11.5567 11.5567 13.1319 13.1319 13.1519 13.1519 13.6420 13.6420 14.3202 14.3202 k = 0.3333 0.1925 0.1361 ( 2929 PWs) bands (ev): -38.0831 -38.0831 -17.0715 -17.0715 -16.5692 -16.5692 -16.5645 -16.5645 4.2412 4.2412 5.7296 5.7296 5.7606 5.7606 5.9601 5.9601 6.0254 6.0254 6.1763 6.1763 6.7138 6.7138 6.7142 6.7142 6.9355 6.9355 6.9687 6.9687 7.0403 7.0403 8.4539 8.4539 11.5032 11.5032 11.5477 11.5477 13.1627 13.1627 13.1839 13.1839 13.6250 13.6250 14.2364 14.2364 k = 0.3452 0.1993 0.1409 ( 2929 PWs) bands (ev): -38.0831 -38.0831 -17.0716 -17.0716 -16.5694 -16.5694 -16.5645 -16.5645 4.3030 4.3030 5.7452 5.7452 5.7723 5.7723 5.9816 5.9816 6.0421 6.0421 6.1917 6.1917 6.7047 6.7047 6.7065 6.7065 6.9027 6.9027 6.9547 6.9547 7.0147 7.0147 8.3338 8.3338 11.4983 11.4983 11.5381 11.5381 13.1966 13.1966 13.2187 13.2187 13.6086 13.6086 14.1583 14.1583 k = 0.3571 0.2062 0.1458 ( 2929 PWs) bands (ev): -38.0831 -38.0831 -17.0717 -17.0717 -16.5696 -16.5696 -16.5646 -16.5646 4.3637 4.3637 5.7619 5.7619 5.7838 5.7838 6.0039 6.0039 6.0585 6.0585 6.2069 6.2069 6.6959 6.6959 6.6990 6.6990 6.8694 6.8694 6.9415 6.9415 6.9895 6.9895 8.2166 8.2166 11.4928 11.4928 11.5282 11.5282 13.2332 13.2332 13.2557 13.2557 13.5926 13.5926 14.0862 14.0862 k = 0.3690 0.2131 0.1507 ( 2929 PWs) bands (ev): -38.0831 -38.0831 -17.0718 -17.0718 -16.5698 -16.5698 -16.5646 -16.5646 4.4227 4.4227 5.7797 5.7797 5.7950 5.7950 6.0271 6.0271 6.0745 6.0745 6.2219 6.2219 6.6872 6.6872 6.6920 6.6920 6.8360 6.8360 6.9289 6.9289 6.9650 6.9650 8.1030 8.1030 11.4868 11.4868 11.5182 11.5182 13.2719 13.2719 13.2945 13.2945 13.5770 13.5770 14.0203 14.0203 k = 0.3810 0.2199 0.1555 ( 2947 PWs) bands (ev): -38.0831 -38.0831 -17.0719 -17.0719 -16.5700 -16.5700 -16.5646 -16.5646 4.4797 4.4797 5.7981 5.7981 5.8057 5.8057 6.0508 6.0508 6.0897 6.0897 6.2365 6.2365 6.6785 6.6785 6.6852 6.6852 6.8031 6.8031 6.9171 6.9171 6.9413 6.9413 7.9933 7.9933 11.4806 11.4806 11.5082 11.5082 13.3120 13.3120 13.3344 13.3344 13.5617 13.5617 13.9608 13.9608 k = 0.3929 0.2268 0.1604 ( 2947 PWs) bands (ev): -38.0830 -38.0830 -17.0720 -17.0720 -16.5701 -16.5701 -16.5646 -16.5646 4.5338 4.5338 5.8161 5.8161 5.8171 5.8171 6.0758 6.0758 6.1044 6.1044 6.2508 6.2508 6.6692 6.6692 6.6792 6.6792 6.7715 6.7715 6.9063 6.9063 6.9187 6.9187 7.8881 7.8881 11.4744 11.4744 11.4986 11.4986 13.3531 13.3531 13.3748 13.3748 13.5466 13.5466 13.9080 13.9080 k = 0.4048 0.2337 0.1652 ( 2944 PWs) bands (ev): -38.0830 -38.0830 -17.0720 -17.0720 -16.5703 -16.5703 -16.5646 -16.5646 4.5846 4.5846 5.8258 5.8258 5.8362 5.8362 6.1019 6.1019 6.1182 6.1182 6.2647 6.2647 6.6580 6.6580 6.6739 6.6739 6.7425 6.7425 6.8969 6.8969 6.8972 6.8972 7.7880 7.7880 11.4683 11.4683 11.4895 11.4895 13.3944 13.3944 13.4149 13.4149 13.5317 13.5317 13.8618 13.8618 k = 0.4167 0.2406 0.1701 ( 2941 PWs) bands (ev): -38.0830 -38.0830 -17.0721 -17.0721 -16.5704 -16.5704 -16.5646 -16.5646 4.6313 4.6313 5.8348 5.8348 5.8549 5.8549 6.1292 6.1292 6.1310 6.1310 6.2781 6.2781 6.6420 6.6420 6.6692 6.6692 6.7188 6.7188 6.8772 6.8772 6.8894 6.8894 7.6939 7.6939 11.4626 11.4626 11.4811 11.4811 13.4350 13.4350 13.4540 13.4540 13.5173 13.5173 13.8222 13.8222 k = 0.4286 0.2474 0.1750 ( 2938 PWs) bands (ev): -38.0830 -38.0830 -17.0721 -17.0721 -16.5705 -16.5705 -16.5646 -16.5646 4.6733 4.6733 5.8429 5.8429 5.8728 5.8728 6.1426 6.1426 6.1575 6.1575 6.2911 6.2911 6.6192 6.6192 6.6653 6.6653 6.7025 6.7025 6.8589 6.8589 6.8837 6.8837 7.6070 7.6070 11.4573 11.4573 11.4736 11.4736 13.4737 13.4737 13.4912 13.4912 13.5037 13.5037 13.7891 13.7891 k = 0.4405 0.2543 0.1798 ( 2929 PWs) bands (ev): -38.0830 -38.0830 -17.0721 -17.0721 -16.5706 -16.5706 -16.5646 -16.5646 4.7100 4.7100 5.8500 5.8500 5.8892 5.8892 6.1529 6.1529 6.1867 6.1867 6.3040 6.3040 6.5903 6.5903 6.6622 6.6622 6.6927 6.6927 6.8427 6.8427 6.8803 6.8803 7.5282 7.5282 11.4527 11.4527 11.4670 11.4670 13.4895 13.4895 13.5114 13.5114 13.5254 13.5254 13.7621 13.7621 k = 0.4524 0.2612 0.1847 ( 2929 PWs) bands (ev): -38.0830 -38.0830 -17.0722 -17.0722 -16.5706 -16.5706 -16.5646 -16.5646 4.7408 4.7408 5.8560 5.8560 5.9034 5.9034 6.1616 6.1616 6.2157 6.2157 6.3172 6.3172 6.5575 6.5575 6.6599 6.6599 6.6869 6.6869 6.8287 6.8287 6.8793 6.8793 7.4592 7.4592 11.4488 11.4488 11.4615 11.4615 13.4785 13.4785 13.5433 13.5433 13.5555 13.5555 13.7408 13.7408 k = 0.4643 0.2681 0.1895 ( 2926 PWs) bands (ev): -38.0830 -38.0830 -17.0722 -17.0722 -16.5707 -16.5707 -16.5646 -16.5646 4.7654 4.7654 5.8607 5.8607 5.9151 5.9151 6.1686 6.1686 6.2427 6.2427 6.3320 6.3320 6.5228 6.5228 6.6583 6.6583 6.6833 6.6833 6.8172 6.8172 6.8804 6.8804 7.4017 7.4017 11.4456 11.4456 11.4571 11.4571 13.4690 13.4690 13.5704 13.5704 13.5805 13.5805 13.7249 13.7249 k = 0.4762 0.2749 0.1944 ( 2926 PWs) bands (ev): -38.0830 -38.0830 -17.0722 -17.0722 -16.5707 -16.5707 -16.5646 -16.5646 4.7832 4.7832 5.8642 5.8642 5.9236 5.9236 6.1737 6.1737 6.2644 6.2644 6.3507 6.3507 6.4877 6.4877 6.6573 6.6573 6.6812 6.6812 6.8087 6.8087 6.8826 6.8826 7.3581 7.3581 11.4433 11.4433 11.4539 11.4539 13.4618 13.4618 13.5911 13.5911 13.5992 13.5992 13.7138 13.7138 k = 0.4881 0.2818 0.1993 ( 2926 PWs) bands (ev): -38.0830 -38.0830 -17.0722 -17.0722 -16.5708 -16.5708 -16.5646 -16.5646 4.7940 4.7940 5.8663 5.8663 5.9289 5.9289 6.1768 6.1768 6.2778 6.2778 6.3737 6.3737 6.4545 6.4545 6.6567 6.6567 6.6800 6.6800 6.8034 6.8034 6.8849 6.8849 7.3306 7.3306 11.4419 11.4419 11.4520 11.4520 13.4573 13.4573 13.6041 13.6041 13.6109 13.6109 13.7072 13.7072 k = 0.5000 0.2887 0.2041 ( 2938 PWs) bands (ev): -38.0830 -38.0830 -17.0722 -17.0722 -16.5708 -16.5708 -16.5647 -16.5647 4.7976 4.7976 5.8669 5.8669 5.9306 5.9306 6.1778 6.1778 6.2821 6.2821 6.3897 6.3897 6.4351 6.4351 6.6564 6.6564 6.6795 6.6795 6.8016 6.8016 6.8857 6.8857 7.3211 7.3211 11.4414 11.4414 11.4513 11.4513 13.4557 13.4557 13.6085 13.6085 13.6148 13.6148 13.7051 13.7051 k = 0.5000 0.2887 0.2041 ( 2938 PWs) bands (ev): -38.0830 -38.0830 -17.0722 -17.0722 -16.5708 -16.5708 -16.5647 -16.5647 4.7976 4.7976 5.8669 5.8669 5.9306 5.9306 6.1778 6.1778 6.2821 6.2821 6.3897 6.3897 6.4351 6.4351 6.6564 6.6564 6.6795 6.6795 6.8016 6.8016 6.8857 6.8857 7.3211 7.3211 11.4414 11.4414 11.4513 11.4513 13.4557 13.4557 13.6085 13.6085 13.6148 13.6148 13.7051 13.7051 k = 0.5042 0.2766 0.2109 ( 2928 PWs) bands (ev): -38.0830 -38.0830 -17.0722 -17.0722 -16.5708 -16.5708 -16.5646 -16.5646 4.7977 4.7977 5.8673 5.8673 5.9306 5.9306 6.1763 6.1763 6.2830 6.2830 6.3886 6.3886 6.4360 6.4360 6.6550 6.6550 6.6815 6.6815 6.7994 6.7994 6.8908 6.8908 7.3220 7.3220 11.4366 11.4366 11.4481 11.4481 13.4528 13.4528 13.5977 13.5977 13.6111 13.6111 13.7251 13.7251 k = 0.5083 0.2646 0.2177 ( 2928 PWs) bands (ev): -38.0830 -38.0830 -17.0722 -17.0722 -16.5708 -16.5708 -16.5647 -16.5647 4.7979 4.7979 5.8682 5.8682 5.9307 5.9307 6.1718 6.1718 6.2855 6.2855 6.3853 6.3853 6.4382 6.4382 6.6515 6.6515 6.6862 6.6862 6.7942 6.7942 6.9043 6.9043 7.3245 7.3245 11.4174 11.4174 11.4434 11.4434 13.4438 13.4438 13.5729 13.5729 13.6075 13.6075 13.7696 13.7696 k = 0.5125 0.2526 0.2245 ( 2928 PWs) bands (ev): -38.0830 -38.0830 -17.0722 -17.0722 -16.5708 -16.5708 -16.5647 -16.5647 4.7983 4.7983 5.8696 5.8696 5.9309 5.9309 6.1648 6.1648 6.2893 6.2893 6.3803 6.3803 6.4416 6.4416 6.6474 6.6474 6.6919 6.6919 6.7885 6.7885 6.9240 6.9240 7.3288 7.3288 11.3835 11.3835 11.4383 11.4383 13.4279 13.4279 13.5482 13.5482 13.6022 13.6022 13.8265 13.8265 k = 0.5167 0.2406 0.2313 ( 2931 PWs) bands (ev): -38.0830 -38.0830 -17.0723 -17.0723 -16.5707 -16.5707 -16.5647 -16.5647 4.7989 4.7989 5.8714 5.8714 5.9310 5.9310 6.1556 6.1556 6.2940 6.2940 6.3742 6.3742 6.4458 6.4458 6.6433 6.6433 6.6978 6.6978 6.7839 6.7839 6.9481 6.9481 7.3348 7.3348 11.3371 11.3371 11.4315 11.4315 13.4035 13.4035 13.5278 13.5278 13.5952 13.5952 13.8923 13.8923 k = 0.5208 0.2285 0.2381 ( 2934 PWs) bands (ev): -38.0830 -38.0830 -17.0723 -17.0723 -16.5707 -16.5707 -16.5648 -16.5648 4.7997 4.7997 5.8735 5.8735 5.9313 5.9313 6.1447 6.1447 6.2991 6.2991 6.3675 6.3675 6.4507 6.4507 6.6395 6.6395 6.7034 6.7034 6.7814 6.7814 6.9758 6.9758 7.3425 7.3425 11.2796 11.2796 11.4232 11.4232 13.3696 13.3696 13.5127 13.5127 13.5864 13.5864 13.9652 13.9652 k = 0.5250 0.2165 0.2449 ( 2938 PWs) bands (ev): -38.0830 -38.0830 -17.0723 -17.0723 -16.5707 -16.5707 -16.5649 -16.5649 4.8006 4.8006 5.8757 5.8757 5.9316 5.9316 6.1326 6.1326 6.3042 6.3042 6.3607 6.3607 6.4562 6.4562 6.6359 6.6359 6.7083 6.7083 6.7815 6.7815 7.0065 7.0065 7.3520 7.3520 11.2124 11.2124 11.4130 11.4130 13.3263 13.3263 13.5026 13.5026 13.5761 13.5761 14.0438 14.0438 k = 0.5292 0.2045 0.2518 ( 2932 PWs) bands (ev): -38.0830 -38.0830 -17.0723 -17.0723 -16.5707 -16.5707 -16.5649 -16.5649 4.8018 4.8018 5.8779 5.8779 5.9320 5.9320 6.1196 6.1196 6.3087 6.3087 6.3546 6.3546 6.4624 6.4624 6.6327 6.6327 6.7126 6.7126 6.7844 6.7844 7.0398 7.0398 7.3634 7.3634 11.1369 11.1369 11.4012 11.4012 13.2747 13.2747 13.4964 13.4964 13.5645 13.5645 14.1262 14.1262 k = 0.5333 0.1925 0.2586 ( 2934 PWs) bands (ev): -38.0830 -38.0830 -17.0723 -17.0723 -16.5707 -16.5707 -16.5650 -16.5650 4.8032 4.8032 5.8797 5.8797 5.9324 5.9324 6.1061 6.1061 6.3114 6.3114 6.3500 6.3500 6.4693 6.4693 6.6295 6.6295 6.7164 6.7164 6.7898 6.7898 7.0753 7.0753 7.3768 7.3768 11.0541 11.0541 11.3875 11.3875 13.2157 13.2157 13.4931 13.4931 13.5519 13.5519 14.2095 14.2095 k = 0.5375 0.1804 0.2654 ( 2934 PWs) bands (ev): -38.0830 -38.0830 -17.0724 -17.0724 -16.5706 -16.5706 -16.5651 -16.5651 4.8048 4.8048 5.8811 5.8811 5.9327 5.9327 6.0923 6.0923 6.3111 6.3111 6.3483 6.3483 6.4768 6.4768 6.6265 6.6265 6.7202 6.7202 6.7973 6.7973 7.1129 7.1129 7.3921 7.3921 10.9651 10.9651 11.3723 11.3723 13.1505 13.1505 13.4922 13.4922 13.5385 13.5385 14.2874 14.2874 k = 0.5417 0.1684 0.2722 ( 2928 PWs) bands (ev): -38.0830 -38.0830 -17.0724 -17.0724 -16.5706 -16.5706 -16.5652 -16.5652 4.8066 4.8066 5.8821 5.8821 5.9329 5.9329 6.0788 6.0788 6.3075 6.3075 6.3498 6.3498 6.4850 6.4850 6.6238 6.6238 6.7244 6.7244 6.8066 6.8066 7.1521 7.1521 7.4096 7.4096 10.8708 10.8708 11.3553 11.3553 13.0801 13.0801 13.4929 13.4929 13.5248 13.5248 14.3444 14.3444 k = 0.5458 0.1564 0.2790 ( 2936 PWs) bands (ev): -38.0829 -38.0829 -17.0724 -17.0724 -16.5706 -16.5706 -16.5654 -16.5654 4.8086 4.8086 5.8823 5.8823 5.9326 5.9326 6.0659 6.0659 6.3015 6.3015 6.3533 6.3533 6.4936 6.4936 6.6213 6.6213 6.7293 6.7293 6.8172 6.8172 7.1928 7.1928 7.4294 7.4294 10.7719 10.7719 11.3367 11.3367 13.0056 13.0056 13.4946 13.4946 13.5115 13.5115 14.3575 14.3575 k = 0.5500 0.1443 0.2858 ( 2934 PWs) bands (ev): -38.0829 -38.0829 -17.0724 -17.0724 -16.5705 -16.5705 -16.5655 -16.5655 4.8109 4.8109 5.8818 5.8818 5.9317 5.9317 6.0540 6.0540 6.2941 6.2941 6.3576 6.3576 6.5027 6.5027 6.6192 6.6192 6.7351 6.7351 6.8289 6.8289 7.2347 7.2347 7.4518 7.4518 10.6692 10.6692 11.3167 11.3167 12.9281 12.9281 13.4922 13.4922 13.5037 13.5037 14.3352 14.3352 k = 0.5542 0.1323 0.2926 ( 2938 PWs) bands (ev): -38.0829 -38.0829 -17.0725 -17.0725 -16.5705 -16.5705 -16.5656 -16.5656 4.8135 4.8135 5.8805 5.8805 5.9299 5.9299 6.0435 6.0435 6.2861 6.2861 6.3621 6.3621 6.5118 6.5118 6.6177 6.6177 6.7419 6.7419 6.8415 6.8415 7.2774 7.2774 7.4772 7.4772 10.5631 10.5631 11.2951 11.2951 12.8487 12.8487 13.4805 13.4805 13.5067 13.5067 14.3000 14.3000 k = 0.5583 0.1203 0.2994 ( 2932 PWs) bands (ev): -38.0829 -38.0829 -17.0725 -17.0725 -16.5705 -16.5705 -16.5657 -16.5657 4.8162 4.8162 5.8785 5.8785 5.9270 5.9270 6.0348 6.0348 6.2777 6.2777 6.3665 6.3665 6.5209 6.5209 6.6168 6.6168 6.7498 6.7498 6.8550 6.8550 7.3207 7.3207 7.5057 7.5057 10.4542 10.4542 11.2723 11.2723 12.7684 12.7684 13.4676 13.4676 13.5125 13.5125 14.2612 14.2612 k = 0.5625 0.1083 0.3062 ( 2924 PWs) bands (ev): -38.0829 -38.0829 -17.0725 -17.0725 -16.5704 -16.5704 -16.5658 -16.5658 4.8190 4.8190 5.8755 5.8755 5.9233 5.9233 6.0281 6.0281 6.2691 6.2691 6.3706 6.3706 6.5295 6.5295 6.6168 6.6168 6.7588 6.7588 6.8691 6.8691 7.3642 7.3642 7.5378 7.5378 10.3429 10.3429 11.2483 11.2483 12.6882 12.6882 13.4552 13.4552 13.5197 13.5197 14.2219 14.2220 k = 0.5667 0.0962 0.3130 ( 2930 PWs) bands (ev): -38.0829 -38.0829 -17.0726 -17.0726 -16.5704 -16.5704 -16.5660 -16.5660 4.8220 4.8220 5.8714 5.8714 5.9189 5.9189 6.0230 6.0230 6.2603 6.2603 6.3743 6.3743 6.5370 6.5370 6.6177 6.6177 6.7688 6.7688 6.8837 6.8837 7.4077 7.4077 7.5735 7.5735 10.2298 10.2298 11.2230 11.2230 12.6087 12.6087 13.4437 13.4437 13.5279 13.5279 14.1832 14.1832 k = 0.5708 0.0842 0.3198 ( 2928 PWs) bands (ev): -38.0829 -38.0829 -17.0726 -17.0726 -16.5703 -16.5703 -16.5661 -16.5661 4.8251 4.8251 5.8661 5.8661 5.9144 5.9144 6.0194 6.0194 6.2514 6.2514 6.3778 6.3778 6.5433 6.5433 6.6195 6.6195 6.7798 6.7798 6.8989 6.8989 7.4510 7.4510 7.6132 7.6132 10.1153 10.1153 11.1968 11.1968 12.5309 12.5309 13.4334 13.4334 13.5370 13.5370 14.1453 14.1453 k = 0.5750 0.0722 0.3266 ( 2934 PWs) bands (ev): -38.0829 -38.0829 -17.0727 -17.0727 -16.5703 -16.5703 -16.5662 -16.5662 4.8281 4.8281 5.8596 5.8596 5.9102 5.9102 6.0169 6.0169 6.2424 6.2424 6.3810 6.3810 6.5481 6.5481 6.6223 6.6223 6.7915 6.7915 6.9146 6.9146 7.4940 7.4940 7.6566 7.6566 9.9998 9.9998 11.1697 11.1697 12.4550 12.4550 13.4244 13.4244 13.5470 13.5470 14.1085 14.1085 k = 0.5792 0.0601 0.3334 ( 2938 PWs) bands (ev): -38.0829 -38.0829 -17.0727 -17.0727 -16.5703 -16.5703 -16.5664 -16.5664 4.8312 4.8312 5.8520 5.8520 5.9065 5.9065 6.0152 6.0152 6.2335 6.2335 6.3843 6.3843 6.5514 6.5514 6.6258 6.6258 6.8038 6.8038 6.9307 6.9307 7.5370 7.5370 7.7035 7.7035 9.8841 9.8841 11.1419 11.1419 12.3818 12.3818 13.4169 13.4169 13.5578 13.5578 14.0728 14.0728 k = 0.5833 0.0481 0.3402 ( 2934 PWs) bands (ev): -38.0829 -38.0829 -17.0727 -17.0727 -16.5703 -16.5703 -16.5664 -16.5664 4.8341 4.8341 5.8439 5.8439 5.9035 5.9035 6.0139 6.0139 6.2247 6.2247 6.3877 6.3877 6.5534 6.5534 6.6298 6.6298 6.8167 6.8167 6.9472 6.9472 7.5800 7.5800 7.7536 7.7536 9.7686 9.7686 11.1135 11.1135 12.3114 12.3114 13.4110 13.4110 13.5693 13.5693 14.0382 14.0382 k = 0.5875 0.0361 0.3470 ( 2934 PWs) bands (ev): -38.0829 -38.0829 -17.0728 -17.0728 -16.5703 -16.5703 -16.5665 -16.5665 4.8369 4.8369 5.8354 5.8354 5.9009 5.9009 6.0128 6.0128 6.2161 6.2161 6.3912 6.3912 6.5542 6.5542 6.6339 6.6339 6.8298 6.8298 6.9641 6.9641 7.6231 7.6231 7.8063 7.8063 9.6543 9.6543 11.0846 11.0846 12.2442 12.2442 13.4069 13.4069 13.5815 13.5815 14.0042 14.0043 k = 0.5917 0.0241 0.3538 ( 2938 PWs) bands (ev): -38.0829 -38.0829 -17.0728 -17.0728 -16.5703 -16.5703 -16.5667 -16.5667 4.8394 4.8394 5.8270 5.8270 5.8985 5.8985 6.0117 6.0117 6.2078 6.2078 6.3951 6.3951 6.5539 6.5539 6.6377 6.6377 6.8429 6.8429 6.9812 6.9812 7.6663 7.6663 7.8610 7.8610 9.5419 9.5419 11.0555 11.0555 12.1803 12.1803 13.4046 13.4046 13.5941 13.5941 13.9687 13.9687 k = 0.5958 0.0120 0.3606 ( 2936 PWs) bands (ev): -38.0829 -38.0829 -17.0728 -17.0728 -16.5703 -16.5703 -16.5667 -16.5667 4.8417 4.8417 5.8190 5.8190 5.8961 5.8961 6.0105 6.0105 6.2001 6.2001 6.3993 6.3993 6.5529 6.5529 6.6412 6.6412 6.8560 6.8560 6.9988 6.9988 7.7092 7.7092 7.9172 7.9172 9.4327 9.4327 11.0262 11.0262 12.1198 12.1198 13.4042 13.4042 13.6070 13.6070 13.9259 13.9259 k = 0.6000-0.0000 0.3674 ( 2932 PWs) bands (ev): -38.0829 -38.0829 -17.0728 -17.0728 -16.5703 -16.5703 -16.5668 -16.5668 4.8437 4.8437 5.8115 5.8115 5.8933 5.8933 6.0092 6.0092 6.1931 6.1931 6.4039 6.4039 6.5511 6.5511 6.6440 6.6440 6.8687 6.8687 7.0166 7.0166 7.7512 7.7512 7.9744 7.9744 9.3282 9.3282 10.9970 10.9970 12.0627 12.0627 13.4056 13.4056 13.6199 13.6199 13.8783 13.8783 k = 0.6042-0.0120 0.3742 ( 2929 PWs) bands (ev): -38.0828 -38.0828 -17.0729 -17.0729 -16.5703 -16.5703 -16.5668 -16.5668 4.8452 4.8452 5.8047 5.8047 5.8900 5.8900 6.0078 6.0078 6.1868 6.1868 6.4090 6.4090 6.5488 6.5488 6.6460 6.6460 6.8812 6.8812 7.0347 7.0347 7.7911 7.7911 8.0318 8.0318 9.2304 9.2304 10.9679 10.9679 12.0091 12.0091 13.4090 13.4090 13.6322 13.6322 13.8304 13.8304 k = 0.6083-0.0241 0.3810 ( 2932 PWs) bands (ev): -38.0828 -38.0828 -17.0729 -17.0729 -16.5703 -16.5703 -16.5669 -16.5669 4.8462 4.8462 5.7985 5.7985 5.8858 5.8858 6.0063 6.0063 6.1816 6.1816 6.4145 6.4145 6.5458 6.5458 6.6471 6.6471 6.8931 6.8931 7.0531 7.0531 7.8272 7.8272 8.0890 8.0890 9.1418 9.1418 10.9390 10.9390 11.9588 11.9588 13.4144 13.4144 13.6433 13.6433 13.7834 13.7834 k = 0.6125-0.0361 0.3878 ( 2937 PWs) bands (ev): -38.0828 -38.0828 -17.0729 -17.0729 -16.5704 -16.5704 -16.5669 -16.5669 4.8467 4.8467 5.7930 5.7930 5.8806 5.8806 6.0046 6.0046 6.1776 6.1776 6.4203 6.4203 6.5424 6.5424 6.6472 6.6472 6.9045 6.9045 7.0717 7.0717 7.8567 7.8567 8.1454 8.1454 9.0657 9.0657 10.9107 10.9107 11.9117 11.9117 13.4215 13.4215 13.6519 13.6519 13.7377 13.7377 k = 0.6167-0.0481 0.3946 ( 2934 PWs) bands (ev): -38.0828 -38.0828 -17.0729 -17.0729 -16.5704 -16.5704 -16.5669 -16.5669 4.8466 4.8466 5.7881 5.7881 5.8745 5.8745 6.0029 6.0029 6.1751 6.1751 6.4264 6.4264 6.5387 6.5387 6.6463 6.6463 6.9155 6.9155 7.0906 7.0906 7.8765 7.8765 8.2008 8.2008 9.0060 9.0060 10.8828 10.8828 11.8678 11.8678 13.4305 13.4305 13.6563 13.6563 13.6943 13.6943 k = 0.6208-0.0601 0.4014 ( 2942 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5704 -16.5704 -16.5669 -16.5669 4.8459 4.8459 5.7831 5.7831 5.8675 5.8675 6.0008 6.0008 6.1741 6.1741 6.4327 6.4327 6.5345 6.5345 6.6443 6.6443 6.9260 6.9260 7.1096 7.1096 7.8823 7.8823 8.2554 8.2554 8.9665 8.9665 10.8557 10.8557 11.8269 11.8269 13.4410 13.4410 13.6451 13.6451 13.6639 13.6639 k = 0.6250-0.0722 0.4082 ( 2932 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5704 -16.5704 -16.5669 -16.5669 4.8446 4.8446 5.7779 5.7779 5.8605 5.8605 5.9986 5.9986 6.1748 6.1748 6.4392 6.4392 6.5304 6.5304 6.6414 6.6414 6.9362 6.9362 7.1289 7.1289 7.8712 7.8712 8.3103 8.3103 8.9496 8.9496 10.8294 10.8294 11.7887 11.7887 13.4524 13.4524 13.6083 13.6083 13.6571 13.6571 k = 0.6250-0.0722 0.4082 ( 2932 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5704 -16.5704 -16.5669 -16.5669 4.8446 4.8446 5.7779 5.7779 5.8605 5.8605 5.9986 5.9986 6.1748 6.1748 6.4392 6.4392 6.5304 6.5304 6.6414 6.6414 6.9362 6.9362 7.1289 7.1289 7.8712 7.8712 8.3103 8.3103 8.9496 8.9496 10.8294 10.8294 11.7887 11.7887 13.4524 13.4524 13.6083 13.6083 13.6571 13.6571 k = 0.6176-0.0679 0.4203 ( 2934 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5704 -16.5704 -16.5669 -16.5669 4.8449 4.8449 5.7772 5.7772 5.8605 5.8605 5.9981 5.9981 6.1757 6.1757 6.4393 6.4393 6.5313 6.5313 6.6416 6.6416 6.9360 6.9360 7.1266 7.1266 7.8728 7.8728 8.3136 8.3136 8.9500 8.9500 10.8111 10.8111 11.8036 11.8036 13.4489 13.4489 13.6034 13.6034 13.6584 13.6584 k = 0.6103-0.0637 0.4323 ( 2931 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5704 -16.5704 -16.5669 -16.5669 4.8460 4.8460 5.7753 5.7753 5.8605 5.8605 5.9963 5.9963 6.1784 6.1784 6.4396 6.4396 6.5343 6.5343 6.6423 6.6423 6.9355 6.9355 7.1202 7.1202 7.8774 7.8774 8.3235 8.3235 8.9509 8.9509 10.7595 10.7595 11.8452 11.8452 13.4389 13.4389 13.5897 13.5897 13.6622 13.6622 k = 0.6029-0.0594 0.4443 ( 2931 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5704 -16.5704 -16.5669 -16.5669 4.8477 4.8477 5.7722 5.7722 5.8604 5.8604 5.9932 5.9932 6.1832 6.1832 6.4402 6.4402 6.5386 6.5386 6.6434 6.6434 6.9348 6.9348 7.1096 7.1096 7.8850 7.8850 8.3397 8.3397 8.9526 8.9526 10.6818 10.6818 11.9061 11.9061 13.4230 13.4230 13.5695 13.5695 13.6679 13.6679 k = 0.5956-0.0552 0.4563 ( 2935 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5704 -16.5704 -16.5670 -16.5670 4.8501 4.8501 5.7683 5.7683 5.8604 5.8604 5.9886 5.9886 6.1903 6.1903 6.4408 6.4408 6.5443 6.5443 6.6448 6.6448 6.9337 6.9337 7.0954 7.0954 7.8956 7.8956 8.3620 8.3620 8.9548 8.9548 10.5856 10.5856 11.9792 11.9792 13.4023 13.4023 13.5454 13.5454 13.6747 13.6747 k = 0.5882-0.0509 0.4683 ( 2940 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5704 -16.5704 -16.5670 -16.5670 4.8529 4.8529 5.7636 5.7636 5.8602 5.8602 5.9825 5.9825 6.2000 6.2000 6.4415 6.4415 6.5511 6.5511 6.6466 6.6466 6.9322 6.9322 7.0781 7.0781 7.9091 7.9091 8.3898 8.3898 8.9577 8.9577 10.4767 10.4767 12.0589 12.0589 13.3777 13.3777 13.5195 13.5195 13.6818 13.6818 k = 0.5809-0.0467 0.4803 ( 2940 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5704 -16.5704 -16.5671 -16.5671 4.8563 4.8563 5.7587 5.7587 5.8599 5.8599 5.9750 5.9750 6.2121 6.2121 6.4421 6.4421 6.5585 6.5585 6.6486 6.6486 6.9305 6.9305 7.0583 7.0583 7.9254 7.9254 8.4228 8.4228 8.9614 8.9614 10.3591 10.3591 12.1416 12.1416 13.3498 13.3498 13.4931 13.4931 13.6886 13.6886 k = 0.5735-0.0425 0.4923 ( 2944 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5703 -16.5703 -16.5672 -16.5672 4.8600 4.8600 5.7537 5.7537 5.8596 5.8596 5.9664 5.9664 6.2264 6.2264 6.4427 6.4427 6.5663 6.5663 6.6509 6.6509 6.9284 6.9284 7.0365 7.0365 7.9443 7.9443 8.4604 8.4604 8.9657 8.9657 10.2356 10.2356 12.2248 12.2248 13.3190 13.3190 13.4673 13.4673 13.6948 13.6948 k = 0.5662-0.0382 0.5043 ( 2941 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5703 -16.5703 -16.5672 -16.5672 4.8640 4.8640 5.7488 5.7488 5.8592 5.8592 5.9574 5.9574 6.2426 6.2426 6.4432 6.4432 6.5742 6.5742 6.6532 6.6532 6.9261 6.9261 7.0135 7.0135 7.9657 7.9657 8.5024 8.5024 8.9708 8.9708 10.1085 10.1085 12.3070 12.3070 13.2858 13.2858 13.4427 13.4427 13.7002 13.7002 k = 0.5588-0.0340 0.5163 ( 2941 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5702 -16.5702 -16.5672 -16.5672 4.8682 4.8682 5.7441 5.7441 5.8586 5.8586 5.9482 5.9482 6.2602 6.2602 6.4434 6.4434 6.5817 6.5817 6.6554 6.6554 6.9233 6.9233 6.9901 6.9901 7.9892 7.9892 8.5483 8.5483 8.9767 8.9767 9.9793 9.9793 12.3873 12.3873 13.2504 13.2504 13.4200 13.4200 13.7046 13.7046 k = 0.5515-0.0297 0.5283 ( 2943 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5702 -16.5702 -16.5673 -16.5673 4.8724 4.8724 5.7398 5.7398 5.8578 5.8578 5.9393 5.9393 6.2788 6.2788 6.4434 6.4434 6.5889 6.5889 6.6574 6.6574 6.9199 6.9199 6.9671 6.9671 8.0145 8.0145 8.5977 8.5977 8.9833 8.9833 9.8493 9.8493 12.4648 12.4648 13.2130 13.2130 13.3994 13.3994 13.7081 13.7081 k = 0.5441-0.0255 0.5403 ( 2951 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5702 -16.5702 -16.5674 -16.5674 4.8763 4.8763 5.7360 5.7360 5.8570 5.8570 5.9310 5.9310 6.2978 6.2978 6.4430 6.4430 6.5955 6.5955 6.6589 6.6589 6.9154 6.9154 6.9459 6.9459 8.0409 8.0409 8.6503 8.6503 8.9907 8.9907 9.7196 9.7196 12.5392 12.5392 13.1738 13.1738 13.3812 13.3812 13.7107 13.7107 k = 0.5368-0.0212 0.5523 ( 2949 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5701 -16.5701 -16.5674 -16.5674 4.8801 4.8801 5.7329 5.7329 5.8561 5.8561 5.9238 5.9238 6.3166 6.3166 6.4423 6.4423 6.6018 6.6018 6.6598 6.6598 6.9078 6.9078 6.9296 6.9296 8.0680 8.0680 8.7059 8.7059 8.9991 8.9991 9.5917 9.5917 12.6103 12.6103 13.1329 13.1329 13.3657 13.3657 13.7125 13.7125 k = 0.5294-0.0170 0.5643 ( 2949 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5701 -16.5701 -16.5675 -16.5675 4.8835 4.8835 5.7304 5.7304 5.8552 5.8552 5.9177 5.9177 6.3345 6.3345 6.4408 6.4408 6.6075 6.6075 6.6599 6.6599 6.8953 6.8953 6.9206 6.9206 8.0946 8.0946 8.7642 8.7642 9.0084 9.0084 9.4669 9.4669 12.6776 12.6776 13.0904 13.0904 13.3529 13.3529 13.7135 13.7135 k = 0.5221-0.0127 0.5764 ( 2951 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5701 -16.5701 -16.5675 -16.5675 4.8862 4.8862 5.7285 5.7285 5.8543 5.8543 5.9128 5.9128 6.3507 6.3507 6.4387 6.4387 6.6129 6.6129 6.6590 6.6590 6.8818 6.8818 6.9160 6.9160 8.1197 8.1197 8.8248 8.8248 9.0185 9.0185 9.3470 9.3470 12.7410 12.7410 13.0465 13.0465 13.3431 13.3431 13.7141 13.7141 k = 0.5147-0.0085 0.5884 ( 2953 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5701 -16.5701 -16.5676 -16.5676 4.8883 4.8883 5.7273 5.7273 5.8537 5.8537 5.9092 5.9092 6.3642 6.3642 6.4359 6.4359 6.6177 6.6177 6.6572 6.6572 6.8711 6.8711 6.9131 6.9131 8.1412 8.1412 8.8873 8.8873 9.0290 9.0290 9.2350 9.2350 12.8004 12.8004 13.0011 13.0011 13.3361 13.3361 13.7142 13.7142 k = 0.5074-0.0042 0.6004 ( 2939 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5700 -16.5700 -16.5676 -16.5676 4.8897 4.8897 5.7268 5.7268 5.8534 5.8534 5.9071 5.9071 6.3738 6.3738 6.4334 6.4334 6.6214 6.6214 6.6554 6.6554 6.8644 6.8644 6.9115 6.9115 8.1567 8.1567 8.9503 8.9503 9.0373 9.0373 9.1377 9.1377 12.8555 12.8555 12.9545 12.9545 13.3321 13.3321 13.7142 13.7142 k = 0.5000-0.0000 0.6124 ( 2936 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5700 -16.5700 -16.5676 -16.5676 4.8902 4.8902 5.7266 5.7266 5.8533 5.8533 5.9064 5.9064 6.3773 6.3773 6.4322 6.4322 6.6229 6.6229 6.6546 6.6546 6.8622 6.8622 6.9109 6.9109 8.1628 8.1628 9.0014 9.0014 9.0229 9.0229 9.0914 9.0914 12.9048 12.9048 12.9080 12.9080 13.3309 13.3309 13.7141 13.7141 k = 0.5000-0.0000 0.6124 ( 2936 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5700 -16.5700 -16.5676 -16.5676 4.8902 4.8902 5.7266 5.7266 5.8533 5.8533 5.9064 5.9064 6.3773 6.3773 6.4322 6.4322 6.6229 6.6229 6.6546 6.6546 6.8622 6.8622 6.9109 6.9109 8.1628 8.1628 9.0014 9.0014 9.0229 9.0229 9.0914 9.0914 12.9048 12.9048 12.9080 12.9080 13.3309 13.3309 13.7141 13.7141 k = 0.5000 0.0085 0.6004 ( 2942 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5700 -16.5700 -16.5676 -16.5676 4.8898 4.8898 5.7272 5.7272 5.8536 5.8536 5.9066 5.9066 6.3767 6.3767 6.4324 6.4324 6.6226 6.6226 6.6542 6.6542 6.8617 6.8617 6.9107 6.9107 8.1574 8.1574 8.9163 8.9163 9.0570 9.0570 9.1518 9.1518 12.9030 12.9030 12.9082 12.9082 13.3345 13.3345 13.7147 13.7147 k = 0.5000 0.0170 0.5884 ( 2952 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5701 -16.5701 -16.5676 -16.5676 4.8888 4.8888 5.7288 5.7288 5.8545 5.8545 5.9074 5.9074 6.3750 6.3750 6.4330 6.4330 6.6215 6.6215 6.6532 6.6532 6.8605 6.8605 6.9100 6.9100 8.1416 8.1416 8.8143 8.8143 9.0819 9.0819 9.2565 9.2565 12.8955 12.8955 12.9114 12.9114 13.3449 13.3449 13.7167 13.7167 k = 0.5000 0.0255 0.5764 ( 2954 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5701 -16.5701 -16.5676 -16.5676 4.8872 4.8872 5.7317 5.7317 5.8563 5.8563 5.9087 5.9087 6.3724 6.3724 6.4340 6.4340 6.6198 6.6198 6.6516 6.6516 6.8585 6.8585 6.9089 6.9089 8.1169 8.1169 8.7129 8.7129 9.1170 9.1170 9.3673 9.3673 12.8833 12.8833 12.9173 12.9173 13.3611 13.3611 13.7201 13.7201 k = 0.5000 0.0340 0.5643 ( 2950 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5701 -16.5701 -16.5675 -16.5675 4.8850 4.8850 5.7358 5.7358 5.8588 5.8588 5.9107 5.9107 6.3689 6.3689 6.4352 6.4352 6.6176 6.6176 6.6494 6.6494 6.8557 6.8557 6.9075 6.9075 8.0851 8.0851 8.6134 8.6134 9.1627 9.1627 9.4807 9.4807 12.8681 12.8681 12.9257 12.9257 13.3816 13.3816 13.7252 13.7252 k = 0.5000 0.0425 0.5523 ( 2952 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5701 -16.5701 -16.5675 -16.5675 4.8822 4.8822 5.7408 5.7408 5.8619 5.8619 5.9132 5.9132 6.3645 6.3645 6.4364 6.4364 6.6146 6.6146 6.6467 6.6467 6.8522 6.8522 6.9056 6.9056 8.0481 8.0481 8.5162 8.5162 9.2173 9.2173 9.5955 9.5955 12.8512 12.8512 12.9364 12.9364 13.4050 13.4050 13.7324 13.7324 k = 0.5000 0.0509 0.5403 ( 2948 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5701 -16.5701 -16.5674 -16.5674 4.8790 4.8790 5.7469 5.7469 5.8655 5.8655 5.9163 5.9163 6.3596 6.3596 6.4375 6.4375 6.6112 6.6112 6.6435 6.6435 6.8480 6.8480 6.9033 6.9033 8.0076 8.0076 8.4217 8.4217 9.2792 9.2792 9.7113 9.7113 12.8336 12.8336 12.9493 12.9493 13.4296 13.4296 13.7422 13.7422 k = 0.5000 0.0594 0.5283 ( 2948 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5701 -16.5701 -16.5673 -16.5673 4.8752 4.8752 5.7539 5.7539 5.8696 5.8696 5.9199 5.9199 6.3542 6.3542 6.4383 6.4383 6.6071 6.6071 6.6400 6.6400 6.8431 6.8431 6.9005 6.9005 7.9648 7.9648 8.3298 8.3298 9.3472 9.3472 9.8277 9.8277 12.8164 12.8164 12.9644 12.9644 13.4542 13.4542 13.7551 13.7551 k = 0.5000 0.0679 0.5163 ( 2946 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5701 -16.5701 -16.5672 -16.5672 4.8711 4.8711 5.7617 5.7617 5.8741 5.8741 5.9241 5.9241 6.3483 6.3483 6.4389 6.4389 6.6026 6.6026 6.6362 6.6362 6.8377 6.8377 6.8973 6.8973 7.9209 7.9209 8.2407 8.2407 9.4202 9.4202 9.9443 9.9443 12.8003 12.8003 12.9814 12.9814 13.4775 13.4775 13.7718 13.7718 k = 0.5000 0.0764 0.5043 ( 2946 PWs) bands (ev): -38.0828 -38.0828 -17.0729 -17.0729 -16.5701 -16.5701 -16.5672 -16.5672 4.8668 4.8668 5.7702 5.7702 5.8790 5.8790 5.9289 5.9289 6.3421 6.3421 6.4390 6.4390 6.5975 6.5975 6.6322 6.6322 6.8317 6.8317 6.8936 6.8936 7.8764 7.8764 8.1546 8.1546 9.4975 9.4975 10.0605 10.0605 12.7862 12.7862 13.0003 13.0003 13.4984 13.4984 13.7928 13.7928 k = 0.5000 0.0849 0.4923 ( 2942 PWs) bands (ev): -38.0828 -38.0828 -17.0729 -17.0729 -16.5701 -16.5701 -16.5671 -16.5671 4.8622 4.8622 5.7794 5.7794 5.8843 5.8843 5.9342 5.9342 6.3357 6.3357 6.4385 6.4385 6.5919 6.5919 6.6283 6.6283 6.8252 6.8252 6.8895 6.8895 7.8321 7.8321 8.0715 8.0715 9.5782 9.5782 10.1758 10.1758 12.7745 12.7745 13.0209 13.0209 13.5164 13.5164 13.8183 13.8183 k = 0.5000 0.0934 0.4803 ( 2944 PWs) bands (ev): -38.0829 -38.0829 -17.0729 -17.0729 -16.5701 -16.5701 -16.5670 -16.5670 4.8574 4.8574 5.7890 5.7890 5.8897 5.8897 5.9401 5.9401 6.3292 6.3292 6.4374 6.4374 6.5858 6.5858 6.6245 6.6245 6.8182 6.8182 6.8850 6.8850 7.7882 7.7882 7.9916 7.9916 9.6619 9.6619 10.2896 10.2896 12.7660 12.7660 13.0431 13.0431 13.5313 13.5313 13.8482 13.8482 k = 0.5000 0.1019 0.4683 ( 2952 PWs) bands (ev): -38.0829 -38.0829 -17.0729 -17.0729 -16.5702 -16.5702 -16.5669 -16.5669 4.8526 4.8526 5.7989 5.7989 5.8952 5.8952 5.9465 5.9465 6.3226 6.3226 6.4354 6.4354 6.5792 6.5792 6.6208 6.6208 6.8109 6.8109 6.8799 6.8799 7.7449 7.7449 7.9152 7.9152 9.7484 9.7484 10.4013 10.4013 12.7613 12.7613 13.0667 13.0667 13.5432 13.5432 13.8822 13.8822 k = 0.5000 0.1104 0.4563 ( 2948 PWs) bands (ev): -38.0829 -38.0829 -17.0728 -17.0728 -16.5702 -16.5702 -16.5667 -16.5667 4.8478 4.8478 5.8090 5.8090 5.9009 5.9009 5.9534 5.9534 6.3163 6.3163 6.4327 6.4327 6.5722 6.5722 6.6178 6.6178 6.8033 6.8033 6.8745 6.8745 7.7021 7.7021 7.8425 7.8425 9.8372 9.8372 10.5101 10.5101 12.7609 12.7609 13.0914 13.0914 13.5525 13.5525 13.9197 13.9197 k = 0.5000 0.1189 0.4443 ( 2950 PWs) bands (ev): -38.0829 -38.0829 -17.0728 -17.0728 -16.5703 -16.5703 -16.5666 -16.5666 4.8430 4.8430 5.8190 5.8190 5.9066 5.9066 5.9608 5.9608 6.3105 6.3105 6.4291 6.4291 6.5648 6.5648 6.6153 6.6153 6.7956 6.7956 6.8686 6.8686 7.6593 7.6593 7.7742 7.7742 9.9279 9.9279 10.6151 10.6151 12.7655 12.7655 13.1171 13.1171 13.5596 13.5596 13.9602 13.9602 k = 0.5000 0.1274 0.4323 ( 2948 PWs) bands (ev): -38.0829 -38.0829 -17.0727 -17.0727 -16.5703 -16.5703 -16.5665 -16.5665 4.8383 4.8383 5.8287 5.8287 5.9122 5.9122 5.9688 5.9688 6.3051 6.3051 6.4246 6.4246 6.5570 6.5570 6.6134 6.6134 6.7878 6.7878 6.8625 6.8625 7.6156 7.6156 7.7114 7.7114 10.0204 10.0204 10.7157 10.7157 12.7756 12.7756 13.1435 13.1435 13.5651 13.5651 14.0032 14.0032 k = 0.5000 0.1358 0.4203 ( 2946 PWs) bands (ev): -38.0829 -38.0829 -17.0727 -17.0727 -16.5703 -16.5703 -16.5664 -16.5664 4.8339 4.8339 5.8381 5.8381 5.9176 5.9176 5.9773 5.9773 6.3006 6.3006 6.4193 6.4193 6.5489 6.5489 6.6122 6.6122 6.7799 6.7799 6.8559 6.8559 7.5694 7.5694 7.6559 7.6559 10.1142 10.1142 10.8108 10.8108 12.7918 12.7918 13.1705 13.1705 13.5692 13.5692 14.0483 14.0483 k = 0.5000 0.1443 0.4082 ( 2938 PWs) bands (ev): -38.0829 -38.0829 -17.0726 -17.0726 -16.5703 -16.5703 -16.5662 -16.5662 4.8296 4.8296 5.8468 5.8468 5.9225 5.9225 5.9866 5.9866 6.2971 6.2971 6.4132 6.4132 6.5407 6.5407 6.6117 6.6117 6.7722 6.7722 6.8491 6.8491 7.5197 7.5197 7.6086 7.6086 10.2094 10.2094 10.8998 10.8998 12.8143 12.8143 13.1978 13.1978 13.5723 13.5723 14.0951 14.0951 k = 0.5000 0.1528 0.3962 ( 2940 PWs) bands (ev): -38.0829 -38.0829 -17.0726 -17.0726 -16.5704 -16.5704 -16.5661 -16.5661 4.8255 4.8255 5.8547 5.8547 5.9267 5.9267 5.9966 5.9966 6.2947 6.2947 6.4064 6.4064 6.5322 6.5322 6.6119 6.6119 6.7646 6.7646 6.8420 6.8420 7.4671 7.4671 7.5687 7.5687 10.3052 10.3052 10.9818 10.9818 12.8434 12.8434 13.2251 13.2251 13.5746 13.5746 14.1434 14.1434 k = 0.5000 0.1613 0.3842 ( 2938 PWs) bands (ev): -38.0829 -38.0829 -17.0726 -17.0726 -16.5704 -16.5704 -16.5659 -16.5659 4.8217 4.8217 5.8616 5.8616 5.9302 5.9302 6.0075 6.0075 6.2936 6.2936 6.3990 6.3990 6.5237 6.5237 6.6126 6.6126 6.7573 6.7573 6.8346 6.8346 7.4137 7.4137 7.5345 7.5345 10.4017 10.4017 11.0564 11.0564 12.8790 12.8790 13.2524 13.2524 13.5764 13.5764 14.1931 14.1931 k = 0.5000 0.1698 0.3722 ( 2940 PWs) bands (ev): -38.0829 -38.0829 -17.0725 -17.0725 -16.5704 -16.5704 -16.5658 -16.5658 4.8182 4.8182 5.8674 5.8674 5.9327 5.9327 6.0194 6.0194 6.2939 6.2939 6.3912 6.3912 6.5152 6.5152 6.6139 6.6139 6.7503 6.7503 6.8271 6.8271 7.3607 7.3607 7.5043 7.5043 10.4982 10.4982 11.1231 11.1231 12.9208 12.9208 13.2793 13.2793 13.5778 13.5778 14.2439 14.2439 k = 0.5000 0.1783 0.3602 ( 2940 PWs) bands (ev): -38.0829 -38.0829 -17.0725 -17.0725 -16.5705 -16.5705 -16.5657 -16.5657 4.8150 4.8150 5.8722 5.8722 5.9342 5.9342 6.0321 6.0321 6.2955 6.2955 6.3832 6.3832 6.5068 6.5068 6.6156 6.6156 6.7438 6.7438 6.8195 6.8195 7.3092 7.3092 7.4774 7.4774 10.5945 10.5945 11.1819 11.1819 12.9681 12.9681 13.3058 13.3058 13.5789 13.5789 14.2955 14.2955 k = 0.5000 0.1868 0.3482 ( 2938 PWs) bands (ev): -38.0829 -38.0829 -17.0725 -17.0725 -16.5705 -16.5705 -16.5655 -16.5655 4.8121 4.8121 5.8758 5.8758 5.9348 5.9348 6.0457 6.0457 6.2983 6.2983 6.3752 6.3752 6.4986 6.4986 6.6178 6.6178 6.7378 6.7378 6.8120 6.8120 7.2596 7.2596 7.4531 7.4531 10.6901 10.6901 11.2330 11.2330 13.0198 13.0198 13.3316 13.3316 13.5800 13.5800 14.3458 14.3458 k = 0.5000 0.1953 0.3362 ( 2932 PWs) bands (ev): -38.0829 -38.0829 -17.0724 -17.0724 -16.5706 -16.5706 -16.5654 -16.5654 4.8095 4.8095 5.8783 5.8783 5.9348 5.9348 6.0598 6.0598 6.3019 6.3019 6.3677 6.3677 6.4907 6.4907 6.6203 6.6203 6.7324 6.7324 6.8047 6.8047 7.2120 7.2120 7.4313 7.4313 10.7845 10.7845 11.2767 11.2767 13.0745 13.0745 13.3567 13.3567 13.5810 13.5810 14.3806 14.3806 k = 0.5000 0.2038 0.3242 ( 2930 PWs) bands (ev): -38.0830 -38.0830 -17.0724 -17.0724 -16.5706 -16.5706 -16.5653 -16.5653 4.8072 4.8072 5.8796 5.8796 5.9343 5.9343 6.0743 6.0743 6.3058 6.3058 6.3612 6.3612 6.4831 6.4831 6.6230 6.6230 6.7274 6.7274 6.7977 6.7977 7.1668 7.1668 7.4116 7.4116 10.8768 10.8768 11.3137 11.3137 13.1306 13.1306 13.3811 13.3811 13.5822 13.5822 14.3603 14.3603 k = 0.5000 0.2123 0.3122 ( 2934 PWs) bands (ev): -38.0830 -38.0830 -17.0724 -17.0724 -16.5706 -16.5706 -16.5651 -16.5651 4.8052 4.8052 5.8799 5.8799 5.9336 5.9336 6.0890 6.0890 6.3088 6.3088 6.3565 6.3565 6.4758 6.4758 6.6259 6.6259 6.7227 6.7227 6.7913 6.7913 7.1239 7.1239 7.3941 7.3941 10.9664 10.9664 11.3444 11.3444 13.1865 13.1865 13.4048 13.4048 13.5836 13.5836 14.2991 14.2991 k = 0.5000 0.2208 0.3002 ( 2936 PWs) bands (ev): -38.0830 -38.0830 -17.0723 -17.0723 -16.5707 -16.5707 -16.5651 -16.5651 4.8034 4.8034 5.8791 5.8791 5.9329 5.9329 6.1034 6.1034 6.3098 6.3098 6.3548 6.3548 6.4689 6.4689 6.6289 6.6289 6.7184 6.7184 6.7860 6.7860 7.0835 7.0835 7.3785 7.3785 11.0522 11.0522 11.3698 11.3698 13.2403 13.2403 13.4278 13.4278 13.5854 13.5854 14.2205 14.2205 k = 0.5000 0.2292 0.2882 ( 2936 PWs) bands (ev): -38.0830 -38.0830 -17.0723 -17.0723 -16.5707 -16.5707 -16.5650 -16.5650 4.8020 4.8020 5.8777 5.8777 5.9322 5.9322 6.1176 6.1176 6.3082 6.3082 6.3566 6.3566 6.4625 6.4625 6.6321 6.6321 6.7140 6.7140 6.7822 6.7822 7.0458 7.0458 7.3649 7.3649 11.1333 11.1333 11.3904 11.3904 13.2902 13.2902 13.4505 13.4505 13.5877 13.5877 14.1363 14.1363 k = 0.5000 0.2377 0.2762 ( 2930 PWs) bands (ev): -38.0830 -38.0830 -17.0723 -17.0723 -16.5707 -16.5707 -16.5649 -16.5649 4.8008 4.8008 5.8758 5.8758 5.9317 5.9317 6.1311 6.1311 6.3044 6.3044 6.3612 6.3612 6.4565 6.4565 6.6356 6.6356 6.7094 6.7094 6.7804 6.7804 7.0109 7.0109 7.3532 7.3532 11.2083 11.2083 11.4069 11.4069 13.3350 13.3350 13.4731 13.4731 13.5907 13.5907 14.0524 14.0524 k = 0.5000 0.2462 0.2642 ( 2932 PWs) bands (ev): -38.0830 -38.0830 -17.0723 -17.0723 -16.5707 -16.5707 -16.5648 -16.5648 4.7998 4.7998 5.8737 5.8737 5.9313 5.9313 6.1436 6.1436 6.2994 6.2994 6.3673 6.3673 6.4510 6.4510 6.6392 6.6392 6.7041 6.7041 6.7807 6.7807 6.9789 6.9789 7.3433 7.3433 11.2757 11.2757 11.4200 11.4200 13.3732 13.3732 13.4960 13.4960 13.5944 13.5944 13.9720 13.9720 k = 0.5000 0.2547 0.2522 ( 2926 PWs) bands (ev): -38.0830 -38.0830 -17.0722 -17.0722 -16.5707 -16.5707 -16.5647 -16.5647 4.7990 4.7990 5.8716 5.8716 5.9311 5.9311 6.1548 6.1548 6.2944 6.2944 6.3739 6.3739 6.4461 6.4461 6.6431 6.6431 6.6984 6.6984 6.7835 6.7835 6.9502 6.9502 7.3353 7.3353 11.3340 11.3340 11.4301 11.4301 13.4041 13.4041 13.5198 13.5198 13.5987 13.5987 13.8973 13.8973 k = 0.5000 0.2632 0.2401 ( 2926 PWs) bands (ev): -38.0830 -38.0830 -17.0722 -17.0722 -16.5707 -16.5707 -16.5647 -16.5647 4.7984 4.7984 5.8697 5.8697 5.9309 5.9309 6.1643 6.1643 6.2896 6.2896 6.3800 6.3800 6.4418 6.4418 6.6472 6.6472 6.6923 6.6923 6.7882 6.7882 6.9253 6.9253 7.3291 7.3291 11.3815 11.3815 11.4376 11.4376 13.4274 13.4274 13.5449 13.5449 13.6033 13.6033 13.8300 13.8300 k = 0.5000 0.2717 0.2281 ( 2926 PWs) bands (ev): -38.0830 -38.0830 -17.0722 -17.0722 -16.5708 -16.5708 -16.5646 -16.5646 4.7980 4.7980 5.8682 5.8682 5.9307 5.9307 6.1716 6.1716 6.2857 6.2857 6.3851 6.3851 6.4384 6.4384 6.6513 6.6513 6.6864 6.6864 6.7940 6.7940 6.9050 6.9050 7.3247 7.3247 11.4164 11.4164 11.4432 11.4432 13.4435 13.4435 13.5715 13.5715 13.6076 13.6076 13.7716 13.7716 k = 0.5000 0.2802 0.2161 ( 2926 PWs) bands (ev): -38.0830 -38.0830 -17.0722 -17.0722 -16.5708 -16.5708 -16.5646 -16.5646 4.7977 4.7977 5.8673 5.8673 5.9306 5.9306 6.1763 6.1763 6.2831 6.2831 6.3885 6.3885 6.4360 6.4360 6.6549 6.6549 6.6816 6.6816 6.7994 6.7994 6.8910 6.8910 7.3220 7.3220 11.4364 11.4364 11.4480 11.4480 13.4527 13.4527 13.5972 13.5972 13.6110 13.6110 13.7257 13.7257 k = 0.5000 0.2887 0.2041 ( 2938 PWs) bands (ev): -38.0830 -38.0830 -17.0722 -17.0722 -16.5708 -16.5708 -16.5647 -16.5647 4.7976 4.7976 5.8669 5.8669 5.9306 5.9306 6.1778 6.1778 6.2821 6.2821 6.3897 6.3897 6.4351 6.4351 6.6564 6.6564 6.6795 6.6795 6.8016 6.8016 6.8857 6.8857 7.3211 7.3211 11.4414 11.4414 11.4513 11.4513 13.4557 13.4557 13.6085 13.6085 13.6148 13.6148 13.7051 13.7051 k = 0.5000 0.2887 0.2041 ( 2938 PWs) bands (ev): -38.0830 -38.0830 -17.0722 -17.0722 -16.5708 -16.5708 -16.5647 -16.5647 4.7976 4.7976 5.8669 5.8669 5.9306 5.9306 6.1778 6.1778 6.2821 6.2821 6.3897 6.3897 6.4351 6.4351 6.6564 6.6564 6.6795 6.6795 6.8016 6.8016 6.8857 6.8857 7.3211 7.3211 11.4414 11.4414 11.4513 11.4513 13.4557 13.4557 13.6085 13.6085 13.6148 13.6148 13.7051 13.7051 k = 0.4958 0.2863 0.2177 ( 2928 PWs) bands (ev): -38.0830 -38.0830 -17.0722 -17.0722 -16.5708 -16.5708 -16.5646 -16.5646 4.7977 4.7977 5.8673 5.8673 5.9306 5.9306 6.1763 6.1763 6.2830 6.2830 6.3886 6.3886 6.4360 6.4360 6.6550 6.6550 6.6815 6.6815 6.7994 6.7994 6.8908 6.8908 7.3220 7.3220 11.4366 11.4366 11.4481 11.4481 13.4528 13.4528 13.5977 13.5977 13.6111 13.6111 13.7251 13.7251 k = 0.4917 0.2839 0.2313 ( 2928 PWs) bands (ev): -38.0830 -38.0830 -17.0722 -17.0722 -16.5708 -16.5708 -16.5647 -16.5647 4.7979 4.7979 5.8682 5.8682 5.9307 5.9307 6.1718 6.1718 6.2855 6.2855 6.3853 6.3853 6.4382 6.4382 6.6515 6.6515 6.6862 6.6862 6.7942 6.7942 6.9043 6.9043 7.3245 7.3245 11.4174 11.4174 11.4434 11.4434 13.4438 13.4438 13.5729 13.5729 13.6075 13.6075 13.7696 13.7696 k = 0.4875 0.2815 0.2449 ( 2928 PWs) bands (ev): -38.0830 -38.0830 -17.0722 -17.0722 -16.5708 -16.5708 -16.5647 -16.5647 4.7983 4.7983 5.8696 5.8696 5.9309 5.9309 6.1648 6.1648 6.2893 6.2893 6.3803 6.3803 6.4416 6.4416 6.6474 6.6474 6.6919 6.6919 6.7885 6.7885 6.9240 6.9240 7.3288 7.3288 11.3835 11.3835 11.4383 11.4383 13.4279 13.4279 13.5482 13.5482 13.6022 13.6022 13.8265 13.8265 k = 0.4833 0.2791 0.2586 ( 2931 PWs) bands (ev): -38.0830 -38.0830 -17.0723 -17.0723 -16.5707 -16.5707 -16.5647 -16.5647 4.7989 4.7989 5.8714 5.8714 5.9310 5.9310 6.1556 6.1556 6.2940 6.2940 6.3742 6.3742 6.4458 6.4458 6.6433 6.6433 6.6978 6.6978 6.7839 6.7839 6.9481 6.9481 7.3348 7.3348 11.3371 11.3371 11.4315 11.4315 13.4035 13.4035 13.5278 13.5278 13.5952 13.5952 13.8923 13.8923 k = 0.4792 0.2766 0.2722 ( 2934 PWs) bands (ev): -38.0830 -38.0830 -17.0723 -17.0723 -16.5707 -16.5707 -16.5648 -16.5648 4.7997 4.7997 5.8735 5.8735 5.9313 5.9313 6.1447 6.1447 6.2991 6.2991 6.3675 6.3675 6.4507 6.4507 6.6395 6.6395 6.7034 6.7034 6.7814 6.7814 6.9758 6.9758 7.3425 7.3425 11.2796 11.2796 11.4232 11.4232 13.3696 13.3696 13.5127 13.5127 13.5864 13.5864 13.9652 13.9652 k = 0.4750 0.2742 0.2858 ( 2938 PWs) bands (ev): -38.0830 -38.0830 -17.0723 -17.0723 -16.5707 -16.5707 -16.5649 -16.5649 4.8006 4.8006 5.8757 5.8757 5.9316 5.9316 6.1326 6.1326 6.3042 6.3042 6.3607 6.3607 6.4562 6.4562 6.6359 6.6359 6.7083 6.7083 6.7815 6.7815 7.0065 7.0065 7.3520 7.3520 11.2124 11.2124 11.4130 11.4130 13.3263 13.3263 13.5026 13.5026 13.5761 13.5761 14.0438 14.0438 k = 0.4708 0.2718 0.2994 ( 2932 PWs) bands (ev): -38.0830 -38.0830 -17.0723 -17.0723 -16.5707 -16.5707 -16.5649 -16.5649 4.8018 4.8018 5.8779 5.8779 5.9320 5.9320 6.1196 6.1196 6.3087 6.3087 6.3546 6.3546 6.4624 6.4624 6.6327 6.6327 6.7126 6.7126 6.7844 6.7844 7.0398 7.0398 7.3634 7.3634 11.1369 11.1369 11.4012 11.4012 13.2747 13.2747 13.4964 13.4964 13.5645 13.5645 14.1262 14.1262 k = 0.4667 0.2694 0.3130 ( 2934 PWs) bands (ev): -38.0830 -38.0830 -17.0723 -17.0723 -16.5707 -16.5707 -16.5650 -16.5650 4.8032 4.8032 5.8797 5.8797 5.9324 5.9324 6.1061 6.1061 6.3114 6.3114 6.3500 6.3500 6.4693 6.4693 6.6295 6.6295 6.7164 6.7164 6.7898 6.7898 7.0753 7.0753 7.3768 7.3768 11.0541 11.0541 11.3875 11.3875 13.2157 13.2157 13.4931 13.4931 13.5519 13.5519 14.2095 14.2095 k = 0.4625 0.2670 0.3266 ( 2934 PWs) bands (ev): -38.0830 -38.0830 -17.0724 -17.0724 -16.5706 -16.5706 -16.5651 -16.5651 4.8048 4.8048 5.8811 5.8811 5.9327 5.9327 6.0923 6.0923 6.3111 6.3111 6.3483 6.3483 6.4768 6.4768 6.6265 6.6265 6.7202 6.7202 6.7973 6.7973 7.1129 7.1129 7.3921 7.3921 10.9651 10.9651 11.3723 11.3723 13.1505 13.1505 13.4922 13.4922 13.5385 13.5385 14.2874 14.2874 k = 0.4583 0.2646 0.3402 ( 2928 PWs) bands (ev): -38.0830 -38.0830 -17.0724 -17.0724 -16.5706 -16.5706 -16.5652 -16.5652 4.8066 4.8066 5.8821 5.8821 5.9329 5.9329 6.0788 6.0788 6.3075 6.3075 6.3498 6.3498 6.4850 6.4850 6.6238 6.6238 6.7244 6.7244 6.8066 6.8066 7.1521 7.1521 7.4096 7.4096 10.8708 10.8708 11.3553 11.3553 13.0801 13.0801 13.4929 13.4929 13.5248 13.5248 14.3444 14.3444 k = 0.4542 0.2622 0.3538 ( 2936 PWs) bands (ev): -38.0829 -38.0829 -17.0724 -17.0724 -16.5706 -16.5706 -16.5654 -16.5654 4.8086 4.8086 5.8823 5.8823 5.9326 5.9326 6.0659 6.0659 6.3015 6.3015 6.3533 6.3533 6.4936 6.4936 6.6213 6.6213 6.7293 6.7293 6.8172 6.8172 7.1928 7.1928 7.4294 7.4294 10.7719 10.7719 11.3367 11.3367 13.0056 13.0056 13.4946 13.4946 13.5115 13.5115 14.3575 14.3575 k = 0.4500 0.2598 0.3674 ( 2934 PWs) bands (ev): -38.0829 -38.0829 -17.0724 -17.0724 -16.5705 -16.5705 -16.5655 -16.5655 4.8109 4.8109 5.8818 5.8818 5.9317 5.9317 6.0540 6.0540 6.2941 6.2941 6.3576 6.3576 6.5027 6.5027 6.6192 6.6192 6.7351 6.7351 6.8289 6.8289 7.2347 7.2347 7.4518 7.4518 10.6692 10.6692 11.3167 11.3167 12.9281 12.9281 13.4922 13.4922 13.5037 13.5037 14.3352 14.3352 k = 0.4458 0.2574 0.3810 ( 2938 PWs) bands (ev): -38.0829 -38.0829 -17.0725 -17.0725 -16.5705 -16.5705 -16.5656 -16.5656 4.8135 4.8135 5.8805 5.8805 5.9299 5.9299 6.0435 6.0435 6.2861 6.2861 6.3621 6.3621 6.5118 6.5118 6.6177 6.6177 6.7419 6.7419 6.8415 6.8415 7.2774 7.2774 7.4772 7.4772 10.5631 10.5631 11.2951 11.2951 12.8487 12.8487 13.4805 13.4805 13.5067 13.5067 14.3000 14.3000 k = 0.4417 0.2550 0.3946 ( 2932 PWs) bands (ev): -38.0829 -38.0829 -17.0725 -17.0725 -16.5705 -16.5705 -16.5657 -16.5657 4.8162 4.8162 5.8785 5.8785 5.9270 5.9270 6.0348 6.0348 6.2777 6.2777 6.3665 6.3665 6.5209 6.5209 6.6168 6.6168 6.7498 6.7498 6.8550 6.8550 7.3207 7.3207 7.5057 7.5057 10.4542 10.4542 11.2723 11.2723 12.7684 12.7684 13.4676 13.4676 13.5125 13.5125 14.2612 14.2612 k = 0.4375 0.2526 0.4082 ( 2924 PWs) bands (ev): -38.0829 -38.0829 -17.0725 -17.0725 -16.5704 -16.5704 -16.5658 -16.5658 4.8190 4.8190 5.8755 5.8755 5.9233 5.9233 6.0281 6.0281 6.2691 6.2691 6.3706 6.3706 6.5295 6.5295 6.6168 6.6168 6.7588 6.7588 6.8691 6.8691 7.3642 7.3642 7.5378 7.5378 10.3429 10.3429 11.2483 11.2483 12.6882 12.6882 13.4552 13.4552 13.5197 13.5197 14.2219 14.2219 k = 0.4333 0.2502 0.4219 ( 2930 PWs) bands (ev): -38.0829 -38.0829 -17.0726 -17.0726 -16.5704 -16.5704 -16.5660 -16.5660 4.8220 4.8220 5.8714 5.8714 5.9189 5.9189 6.0230 6.0230 6.2603 6.2603 6.3743 6.3743 6.5370 6.5370 6.6177 6.6177 6.7688 6.7688 6.8837 6.8837 7.4077 7.4077 7.5735 7.5735 10.2298 10.2298 11.2230 11.2230 12.6087 12.6087 13.4437 13.4437 13.5279 13.5279 14.1832 14.1832 k = 0.4292 0.2478 0.4355 ( 2928 PWs) bands (ev): -38.0829 -38.0829 -17.0726 -17.0726 -16.5703 -16.5703 -16.5661 -16.5661 4.8251 4.8251 5.8661 5.8661 5.9144 5.9144 6.0194 6.0194 6.2514 6.2514 6.3778 6.3778 6.5433 6.5433 6.6195 6.6195 6.7798 6.7798 6.8989 6.8989 7.4510 7.4510 7.6132 7.6132 10.1153 10.1153 11.1968 11.1968 12.5309 12.5309 13.4334 13.4334 13.5370 13.5370 14.1453 14.1453 k = 0.4250 0.2454 0.4491 ( 2934 PWs) bands (ev): -38.0829 -38.0829 -17.0727 -17.0727 -16.5703 -16.5703 -16.5662 -16.5662 4.8281 4.8281 5.8596 5.8596 5.9102 5.9102 6.0169 6.0169 6.2424 6.2424 6.3810 6.3810 6.5481 6.5481 6.6223 6.6223 6.7915 6.7915 6.9146 6.9146 7.4940 7.4940 7.6566 7.6566 9.9998 9.9998 11.1697 11.1697 12.4550 12.4550 13.4244 13.4244 13.5470 13.5470 14.1085 14.1085 k = 0.4208 0.2430 0.4627 ( 2938 PWs) bands (ev): -38.0829 -38.0829 -17.0727 -17.0727 -16.5703 -16.5703 -16.5664 -16.5664 4.8312 4.8312 5.8520 5.8520 5.9065 5.9065 6.0152 6.0152 6.2335 6.2335 6.3843 6.3843 6.5514 6.5514 6.6258 6.6258 6.8038 6.8038 6.9307 6.9307 7.5370 7.5370 7.7035 7.7035 9.8841 9.8841 11.1419 11.1419 12.3818 12.3818 13.4169 13.4169 13.5578 13.5578 14.0728 14.0728 k = 0.4167 0.2406 0.4763 ( 2934 PWs) bands (ev): -38.0829 -38.0829 -17.0727 -17.0727 -16.5703 -16.5703 -16.5664 -16.5664 4.8341 4.8341 5.8439 5.8439 5.9035 5.9035 6.0139 6.0139 6.2247 6.2247 6.3877 6.3877 6.5534 6.5534 6.6298 6.6298 6.8167 6.8167 6.9472 6.9472 7.5800 7.5800 7.7536 7.7536 9.7686 9.7686 11.1135 11.1135 12.3114 12.3114 13.4110 13.4110 13.5693 13.5693 14.0382 14.0382 k = 0.4125 0.2382 0.4899 ( 2934 PWs) bands (ev): -38.0829 -38.0829 -17.0728 -17.0728 -16.5703 -16.5703 -16.5665 -16.5665 4.8369 4.8369 5.8354 5.8354 5.9009 5.9009 6.0128 6.0128 6.2161 6.2161 6.3912 6.3912 6.5542 6.5542 6.6339 6.6339 6.8298 6.8298 6.9641 6.9641 7.6231 7.6231 7.8063 7.8063 9.6543 9.6543 11.0846 11.0846 12.2442 12.2442 13.4069 13.4069 13.5815 13.5815 14.0042 14.0043 k = 0.4083 0.2358 0.5035 ( 2938 PWs) bands (ev): -38.0829 -38.0829 -17.0728 -17.0728 -16.5703 -16.5703 -16.5667 -16.5667 4.8394 4.8394 5.8270 5.8270 5.8985 5.8985 6.0117 6.0117 6.2078 6.2078 6.3950 6.3950 6.5539 6.5539 6.6377 6.6377 6.8429 6.8429 6.9812 6.9812 7.6663 7.6663 7.8610 7.8610 9.5419 9.5419 11.0555 11.0555 12.1803 12.1803 13.4046 13.4046 13.5941 13.5941 13.9687 13.9687 k = 0.4042 0.2333 0.5171 ( 2936 PWs) bands (ev): -38.0829 -38.0829 -17.0728 -17.0728 -16.5703 -16.5703 -16.5667 -16.5667 4.8417 4.8417 5.8190 5.8190 5.8961 5.8961 6.0105 6.0105 6.2001 6.2001 6.3993 6.3993 6.5529 6.5529 6.6412 6.6412 6.8560 6.8560 6.9988 6.9988 7.7092 7.7092 7.9172 7.9172 9.4327 9.4327 11.0262 11.0262 12.1198 12.1198 13.4042 13.4042 13.6070 13.6070 13.9259 13.9259 k = 0.4000 0.2309 0.5307 ( 2932 PWs) bands (ev): -38.0829 -38.0829 -17.0728 -17.0728 -16.5703 -16.5703 -16.5668 -16.5668 4.8437 4.8437 5.8115 5.8115 5.8933 5.8933 6.0092 6.0092 6.1931 6.1931 6.4039 6.4039 6.5511 6.5511 6.6440 6.6440 6.8687 6.8687 7.0166 7.0166 7.7512 7.7512 7.9744 7.9744 9.3282 9.3282 10.9970 10.9970 12.0627 12.0627 13.4056 13.4056 13.6199 13.6199 13.8783 13.8783 k = 0.3958 0.2285 0.5443 ( 2929 PWs) bands (ev): -38.0828 -38.0828 -17.0729 -17.0729 -16.5703 -16.5703 -16.5668 -16.5668 4.8452 4.8452 5.8047 5.8047 5.8900 5.8900 6.0078 6.0078 6.1868 6.1868 6.4090 6.4090 6.5488 6.5488 6.6460 6.6460 6.8812 6.8812 7.0347 7.0347 7.7911 7.7911 8.0318 8.0318 9.2304 9.2304 10.9679 10.9679 12.0091 12.0091 13.4090 13.4090 13.6322 13.6322 13.8304 13.8304 k = 0.3917 0.2261 0.5579 ( 2932 PWs) bands (ev): -38.0828 -38.0828 -17.0729 -17.0729 -16.5703 -16.5703 -16.5669 -16.5669 4.8462 4.8462 5.7985 5.7985 5.8858 5.8858 6.0063 6.0063 6.1816 6.1816 6.4145 6.4145 6.5458 6.5458 6.6471 6.6471 6.8931 6.8931 7.0531 7.0531 7.8272 7.8272 8.0890 8.0890 9.1418 9.1418 10.9390 10.9390 11.9588 11.9588 13.4144 13.4144 13.6433 13.6433 13.7834 13.7834 k = 0.3875 0.2237 0.5715 ( 2937 PWs) bands (ev): -38.0828 -38.0828 -17.0729 -17.0729 -16.5704 -16.5704 -16.5669 -16.5669 4.8467 4.8467 5.7930 5.7930 5.8806 5.8806 6.0046 6.0046 6.1776 6.1776 6.4203 6.4203 6.5424 6.5424 6.6472 6.6472 6.9045 6.9045 7.0717 7.0717 7.8567 7.8567 8.1454 8.1454 9.0657 9.0657 10.9107 10.9107 11.9117 11.9117 13.4215 13.4215 13.6519 13.6519 13.7377 13.7377 k = 0.3833 0.2213 0.5852 ( 2934 PWs) bands (ev): -38.0828 -38.0828 -17.0729 -17.0729 -16.5704 -16.5704 -16.5669 -16.5669 4.8466 4.8466 5.7881 5.7881 5.8745 5.8745 6.0029 6.0029 6.1751 6.1751 6.4264 6.4264 6.5387 6.5387 6.6463 6.6463 6.9155 6.9155 7.0906 7.0906 7.8765 7.8765 8.2008 8.2008 9.0060 9.0060 10.8828 10.8828 11.8678 11.8678 13.4305 13.4305 13.6563 13.6563 13.6943 13.6943 k = 0.3792 0.2189 0.5988 ( 2942 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5704 -16.5704 -16.5669 -16.5669 4.8459 4.8459 5.7831 5.7831 5.8675 5.8675 6.0008 6.0008 6.1741 6.1741 6.4327 6.4327 6.5345 6.5345 6.6443 6.6443 6.9260 6.9260 7.1096 7.1096 7.8823 7.8823 8.2554 8.2554 8.9665 8.9665 10.8557 10.8557 11.8269 11.8269 13.4410 13.4410 13.6451 13.6451 13.6639 13.6639 k = 0.3750 0.2165 0.6124 ( 2932 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5704 -16.5704 -16.5669 -16.5669 4.8446 4.8446 5.7779 5.7779 5.8605 5.8605 5.9986 5.9986 6.1748 6.1748 6.4392 6.4392 6.5304 6.5304 6.6414 6.6414 6.9362 6.9362 7.1289 7.1289 7.8712 7.8712 8.3103 8.3103 8.9496 8.9496 10.8294 10.8294 11.7887 11.7887 13.4524 13.4524 13.6083 13.6083 13.6571 13.6571 k = 0.6250-0.0722 0.4082 ( 2932 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5704 -16.5704 -16.5669 -16.5669 4.8446 4.8446 5.7779 5.7779 5.8605 5.8605 5.9986 5.9986 6.1748 6.1748 6.4392 6.4392 6.5304 6.5304 6.6414 6.6414 6.9362 6.9362 7.1289 7.1289 7.8712 7.8712 8.3103 8.3103 8.9496 8.9496 10.8294 10.8294 11.7887 11.7887 13.4524 13.4524 13.6083 13.6083 13.6571 13.6571 k = 0.6176-0.0849 0.4082 ( 2938 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5705 -16.5705 -16.5669 -16.5669 4.8411 4.8411 5.7656 5.7656 5.8501 5.8501 5.9937 5.9937 6.1793 6.1793 6.4504 6.4504 6.5234 6.5234 6.6349 6.6349 6.9532 6.9532 7.1628 7.1628 7.8266 7.8266 8.4189 8.4189 8.9407 8.9407 10.7843 10.7843 11.7245 11.7245 13.4719 13.4719 13.5431 13.5431 13.6475 13.6475 k = 0.6103-0.0976 0.4082 ( 2940 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5706 -16.5706 -16.5669 -16.5669 4.8367 4.8367 5.7502 5.7502 5.8433 5.8433 5.9883 5.9883 6.1872 6.1872 6.4618 6.4618 6.5167 6.5167 6.6280 6.6280 6.9697 6.9697 7.1960 7.1960 7.7723 7.7723 8.5407 8.5407 8.9328 8.9328 10.7404 10.7404 11.6613 11.6613 13.4786 13.4786 13.4920 13.4920 13.6400 13.6400 k = 0.6029-0.1104 0.4082 ( 2940 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5707 -16.5707 -16.5668 -16.5668 4.8315 4.8315 5.7325 5.7325 5.8394 5.8394 5.9821 5.9821 6.1982 6.1982 6.4733 6.4733 6.5103 6.5103 6.6210 6.6210 6.9856 6.9856 7.2284 7.2284 7.7147 7.7147 8.6688 8.6688 8.9262 8.9262 10.6979 10.6979 11.5989 11.5989 13.4210 13.4210 13.5072 13.5072 13.6340 13.6340 k = 0.5956-0.1231 0.4082 ( 2936 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5707 -16.5707 -16.5667 -16.5667 4.8257 4.8257 5.7138 5.7138 5.8374 5.8374 5.9756 5.9756 6.2118 6.2118 6.4846 6.4846 6.5044 6.5044 6.6142 6.6142 7.0008 7.0008 7.2591 7.2591 7.6571 7.6571 8.7983 8.7983 8.9228 8.9228 10.6570 10.6570 11.5369 11.5369 13.3656 13.3656 13.5222 13.5222 13.6293 13.6293 k = 0.5882-0.1358 0.4082 ( 2932 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5708 -16.5708 -16.5667 -16.5667 4.8197 4.8197 5.6951 5.6951 5.8368 5.8368 5.9689 5.9689 6.2277 6.2277 6.4953 6.4953 6.4993 6.4993 6.6075 6.6075 7.0151 7.0151 7.2868 7.2868 7.6015 7.6015 8.8930 8.8930 8.9571 8.9571 10.6179 10.6179 11.4747 11.4747 13.3139 13.3139 13.5359 13.5359 13.6258 13.6258 k = 0.5809-0.1486 0.4082 ( 2930 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5708 -16.5708 -16.5666 -16.5666 4.8134 4.8134 5.6768 5.6768 5.8368 5.8368 5.9623 5.9623 6.2456 6.2456 6.4933 6.4933 6.5068 6.5068 6.6013 6.6013 7.0286 7.0286 7.3093 7.3093 7.5505 7.5505 8.8994 8.8994 9.0814 9.0814 10.5807 10.5807 11.4120 11.4120 13.2660 13.2660 13.5482 13.5482 13.6234 13.6234 k = 0.5735-0.1613 0.4082 ( 2938 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5709 -16.5709 -16.5666 -16.5666 4.8070 4.8070 5.6595 5.6595 5.8372 5.8372 5.9559 5.9559 6.2650 6.2650 6.4884 6.4884 6.5168 6.5168 6.5957 6.5957 7.0409 7.0409 7.3223 7.3223 7.5088 7.5088 8.8962 8.8962 9.2163 9.2163 10.5457 10.5457 11.3480 11.3480 13.2219 13.2219 13.5590 13.5590 13.6219 13.6219 k = 0.5662-0.1741 0.4082 ( 2940 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5710 -16.5710 -16.5665 -16.5665 4.8007 4.8007 5.6434 5.6434 5.8380 5.8380 5.9498 5.9498 6.2856 6.2856 6.4839 6.4839 6.5258 6.5258 6.5915 6.5915 7.0520 7.0520 7.3186 7.3186 7.4840 7.4840 8.8924 8.8924 9.3521 9.3521 10.5131 10.5131 11.2824 11.2824 13.1819 13.1819 13.5685 13.5685 13.6213 13.6213 k = 0.5588-0.1868 0.4082 ( 2942 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5711 -16.5711 -16.5665 -16.5665 4.7947 4.7947 5.6286 5.6286 5.8388 5.8388 5.9441 5.9441 6.3070 6.3070 6.4798 6.4798 6.5332 6.5332 6.5894 6.5894 7.0619 7.0619 7.2951 7.2951 7.4792 7.4792 8.8887 8.8887 9.4872 9.4872 10.4832 10.4832 11.2147 11.2147 13.1459 13.1459 13.5765 13.5765 13.6214 13.6214 k = 0.5515-0.1995 0.4082 ( 2942 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5711 -16.5711 -16.5664 -16.5664 4.7892 4.7892 5.6154 5.6154 5.8398 5.8398 5.9389 5.9389 6.3287 6.3287 6.4760 6.4760 6.5379 6.5379 6.5903 6.5903 7.0704 7.0704 7.2594 7.2594 7.4874 7.4874 8.8853 8.8853 9.6206 9.6206 10.4564 10.4564 11.1442 11.1442 13.1140 13.1140 13.5831 13.5831 13.6223 13.6223 k = 0.5441-0.2123 0.4082 ( 2934 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5711 -16.5711 -16.5664 -16.5664 4.7841 4.7841 5.6038 5.6038 5.8407 5.8407 5.9345 5.9345 6.3502 6.3502 6.4726 6.4726 6.5396 6.5396 6.5947 6.5947 7.0774 7.0774 7.2201 7.2201 7.5004 7.5004 8.8825 8.8825 9.7513 9.7513 10.4328 10.4328 11.0706 11.0706 13.0863 13.0863 13.5883 13.5883 13.6237 13.6237 k = 0.5368-0.2250 0.4082 ( 2936 PWs) bands (ev): -38.0828 -38.0828 -17.0730 -17.0730 -16.5712 -16.5712 -16.5663 -16.5663 4.7797 4.7797 5.5939 5.5939 5.8415 5.8415 5.9304 5.9304 6.3705 6.3705 6.4695 6.4695 6.5386 6.5386 6.6019 6.6019 7.0820 7.0820 7.1823 7.1823 7.5143 7.5143 8.8800 8.8800 9.8784 9.8784 10.4130 10.4130 10.9937 10.9937 13.0627 13.0627 13.5924 13.5924 13.6254 13.6254 k = 0.5294-0.2377 0.4082 ( 2944 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5712 -16.5712 -16.5663 -16.5663 4.7760 4.7760 5.5856 5.5856 5.8422 5.8422 5.9268 5.9268 6.3890 6.3890 6.4667 6.4667 6.5362 6.5362 6.6107 6.6107 7.0830 7.0830 7.1501 7.1501 7.5269 7.5269 8.8780 8.8780 10.0001 10.0001 10.3976 10.3976 10.9135 10.9135 13.0434 13.0434 13.5953 13.5953 13.6271 13.6271 k = 0.5221-0.2505 0.4082 ( 2946 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5713 -16.5713 -16.5663 -16.5663 4.7730 4.7730 5.5792 5.5792 5.8428 5.8428 5.9242 5.9242 6.4054 6.4054 6.4640 6.4640 6.5333 6.5333 6.6199 6.6199 7.0773 7.0773 7.1287 7.1287 7.5372 7.5372 8.8765 8.8765 10.1135 10.1135 10.3881 10.3881 10.8306 10.8306 13.0283 13.0283 13.5975 13.5975 13.6288 13.6288 k = 0.5147-0.2632 0.4082 ( 2946 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5713 -16.5713 -16.5663 -16.5663 4.7708 4.7708 5.5746 5.5746 5.8433 5.8433 5.9223 5.9223 6.4185 6.4185 6.4614 6.4614 6.5305 6.5305 6.6280 6.6280 7.0651 7.0651 7.1197 7.1197 7.5450 7.5450 8.8754 8.8754 10.2115 10.2115 10.3887 10.3887 10.7476 10.7476 13.0176 13.0176 13.5989 13.5989 13.6301 13.6301 k = 0.5074-0.2759 0.4082 ( 2954 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5713 -16.5713 -16.5663 -16.5663 4.7694 4.7694 5.5719 5.5719 5.8435 5.8435 5.9211 5.9211 6.4275 6.4275 6.4591 6.4591 6.5283 6.5283 6.6336 6.6336 7.0540 7.0540 7.1171 7.1171 7.5497 7.5497 8.8747 8.8747 10.2760 10.2760 10.4083 10.4083 10.6730 10.6730 13.0111 13.0111 13.5997 13.5997 13.6309 13.6309 k = 0.5000-0.2887 0.4082 ( 2954 PWs) bands (ev): -38.0828 -38.0828 -17.0731 -17.0731 -16.5713 -16.5713 -16.5663 -16.5663 4.7690 4.7690 5.5709 5.5709 5.8436 5.8436 5.9207 5.9207 6.4308 6.4308 6.4581 6.4581 6.5276 6.5276 6.6356 6.6356 7.0497 7.0497 7.1166 7.1166 7.5513 7.5513 8.8745 8.8745 10.2949 10.2949 10.4290 10.4290 10.6365 10.6365 13.0089 13.0089 13.6000 13.6000 13.6312 13.6312 Writing output data file ScAlAg2.save init_run : 0.38s CPU 0.51s WALL ( 1 calls) electrons : 114.77s CPU 116.80s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 114.76s CPU 116.79s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.09s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 320 calls) cegterg : 103.90s CPU 105.42s WALL ( 380 calls) Called by sum_band: Called by *egterg: h_psi : 61.56s CPU 62.88s WALL ( 6428 calls) s_psi : 3.96s CPU 3.94s WALL ( 6428 calls) g_psi : 0.12s CPU 0.13s WALL ( 5728 calls) cdiaghg : 37.35s CPU 38.03s WALL ( 6048 calls) cegterg:over : 3.70s CPU 3.50s WALL ( 5728 calls) cegterg:upda : 2.63s CPU 2.72s WALL ( 5728 calls) cegterg:last : 1.51s CPU 1.55s WALL ( 1153 calls) cdiaghg:chol : 1.93s CPU 2.14s WALL ( 6048 calls) cdiaghg:inve : 1.34s CPU 1.28s WALL ( 6048 calls) cdiaghg:para : 2.40s CPU 2.26s WALL ( 12096 calls) Called by h_psi: h_psi:vloc : 53.42s CPU 54.46s WALL ( 6428 calls) h_psi:vnl : 8.02s CPU 8.31s WALL ( 6428 calls) add_vuspsi : 4.29s CPU 4.53s WALL ( 6428 calls) General routines calbec : 3.71s CPU 3.76s WALL ( 6428 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 49.52s CPU 50.39s WALL ( 661116 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.14s WALL ( 640 calls) Parallel routines fft_scatter : 18.04s CPU 17.97s WALL ( 661139 calls) PWSCF : 2m 7.45s CPU 2m27.21s WALL This run was terminated on: 14:41:41 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=