Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:40:48 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./LiMg2Ga.save/ file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized file Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 61 61 16 1874 1874 271 Max 62 62 17 1878 1878 277 Sum 2197 2197 595 67529 67529 9841 bravais-lattice index = 14 lattice parameter (alat) = 8.7777 a.u. unit-cell volume = 478.2272 (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 = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.777748 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 Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ga read from file: /users/gautes/Pseudo/Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF MD5 check sum: a45069c11dc40ba088a6a50723da268c Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1205 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 Li 3.00 6.94100 Li( 1.00) Mg 10.00 24.30500 Mg( 1.00) Ga 13.00 69.72300 Ga( 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 0.7058823), 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 0.4558823), 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 0.2058823), 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 0.2976190), 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 0.4523809), 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 0.6691176), 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 0.5808823), 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: 67529 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.32 Mb ( 476, 44) NL pseudopotentials 0.28 Mb ( 238, 76) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1875) G-vector shells 0.00 Mb ( 472) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.28 Mb ( 476, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.10 Mb ( 76, 2, 44) Check: negative/imaginary core charge= -0.000015 0.000000 The potential is recalculated from file : ./LiMg2Ga.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.3 secs Computing kpt #: 2 total cpu time spent up to now is 2.8 secs Computing kpt #: 3 total cpu time spent up to now is 3.2 secs Computing kpt #: 4 total cpu time spent up to now is 3.7 secs Computing kpt #: 5 total cpu time spent up to now is 4.2 secs Computing kpt #: 6 total cpu time spent up to now is 4.6 secs Computing kpt #: 7 total cpu time spent up to now is 5.1 secs Computing kpt #: 8 total cpu time spent up to now is 5.5 secs Computing kpt #: 9 total cpu time spent up to now is 6.1 secs Computing kpt #: 10 total cpu time spent up to now is 6.7 secs Computing kpt #: 11 total cpu time spent up to now is 7.3 secs Computing kpt #: 12 total cpu time spent up to now is 7.9 secs Computing kpt #: 13 total cpu time spent up to now is 8.5 secs Computing kpt #: 14 total cpu time spent up to now is 9.1 secs Computing kpt #: 15 total cpu time spent up to now is 9.6 secs Computing kpt #: 16 total cpu time spent up to now is 10.2 secs Computing kpt #: 17 total cpu time spent up to now is 10.8 secs Computing kpt #: 18 total cpu time spent up to now is 11.4 secs Computing kpt #: 19 total cpu time spent up to now is 12.0 secs Computing kpt #: 20 total cpu time spent up to now is 12.6 secs Computing kpt #: 21 total cpu time spent up to now is 13.2 secs Computing kpt #: 22 total cpu time spent up to now is 13.8 secs Computing kpt #: 23 total cpu time spent up to now is 14.4 secs Computing kpt #: 24 total cpu time spent up to now is 14.9 secs Computing kpt #: 25 total cpu time spent up to now is 15.6 secs Computing kpt #: 26 total cpu time spent up to now is 16.2 secs Computing kpt #: 27 total cpu time spent up to now is 16.8 secs Computing kpt #: 28 total cpu time spent up to now is 17.3 secs Computing kpt #: 29 total cpu time spent up to now is 17.9 secs Computing kpt #: 30 total cpu time spent up to now is 18.5 secs Computing kpt #: 31 total cpu time spent up to now is 19.1 secs Computing kpt #: 32 total cpu time spent up to now is 19.6 secs Computing kpt #: 33 total cpu time spent up to now is 20.2 secs Computing kpt #: 34 total cpu time spent up to now is 20.7 secs Computing kpt #: 35 total cpu time spent up to now is 21.2 secs Computing kpt #: 36 total cpu time spent up to now is 21.7 secs Computing kpt #: 37 total cpu time spent up to now is 22.1 secs Computing kpt #: 38 total cpu time spent up to now is 22.6 secs Computing kpt #: 39 total cpu time spent up to now is 23.1 secs Computing kpt #: 40 total cpu time spent up to now is 23.5 secs Computing kpt #: 41 total cpu time spent up to now is 24.0 secs Computing kpt #: 42 total cpu time spent up to now is 24.5 secs Computing kpt #: 43 total cpu time spent up to now is 24.9 secs Computing kpt #: 44 total cpu time spent up to now is 25.4 secs Computing kpt #: 45 total cpu time spent up to now is 25.8 secs Computing kpt #: 46 total cpu time spent up to now is 26.2 secs Computing kpt #: 47 total cpu time spent up to now is 26.7 secs Computing kpt #: 48 total cpu time spent up to now is 27.1 secs Computing kpt #: 49 total cpu time spent up to now is 27.6 secs Computing kpt #: 50 total cpu time spent up to now is 28.0 secs Computing kpt #: 51 total cpu time spent up to now is 28.4 secs Computing kpt #: 52 total cpu time spent up to now is 28.9 secs Computing kpt #: 53 total cpu time spent up to now is 29.3 secs Computing kpt #: 54 total cpu time spent up to now is 29.8 secs Computing kpt #: 55 total cpu time spent up to now is 30.3 secs Computing kpt #: 56 total cpu time spent up to now is 30.9 secs Computing kpt #: 57 total cpu time spent up to now is 31.4 secs Computing kpt #: 58 total cpu time spent up to now is 32.0 secs Computing kpt #: 59 total cpu time spent up to now is 32.5 secs Computing kpt #: 60 total cpu time spent up to now is 33.0 secs Computing kpt #: 61 total cpu time spent up to now is 33.4 secs Computing kpt #: 62 total cpu time spent up to now is 33.9 secs Computing kpt #: 63 total cpu time spent up to now is 34.3 secs Computing kpt #: 64 total cpu time spent up to now is 34.7 secs Computing kpt #: 65 total cpu time spent up to now is 35.1 secs Computing kpt #: 66 total cpu time spent up to now is 35.5 secs Computing kpt #: 67 total cpu time spent up to now is 35.9 secs Computing kpt #: 68 total cpu time spent up to now is 36.3 secs Computing kpt #: 69 total cpu time spent up to now is 36.7 secs Computing kpt #: 70 total cpu time spent up to now is 37.1 secs Computing kpt #: 71 total cpu time spent up to now is 37.5 secs Computing kpt #: 72 total cpu time spent up to now is 37.9 secs Computing kpt #: 73 total cpu time spent up to now is 38.3 secs Computing kpt #: 74 total cpu time spent up to now is 38.7 secs Computing kpt #: 75 total cpu time spent up to now is 39.1 secs Computing kpt #: 76 total cpu time spent up to now is 39.5 secs Computing kpt #: 77 total cpu time spent up to now is 39.9 secs Computing kpt #: 78 total cpu time spent up to now is 40.3 secs Computing kpt #: 79 total cpu time spent up to now is 40.7 secs Computing kpt #: 80 total cpu time spent up to now is 41.1 secs Computing kpt #: 81 total cpu time spent up to now is 41.5 secs Computing kpt #: 82 total cpu time spent up to now is 41.9 secs Computing kpt #: 83 total cpu time spent up to now is 42.4 secs Computing kpt #: 84 total cpu time spent up to now is 42.8 secs Computing kpt #: 85 total cpu time spent up to now is 43.2 secs Computing kpt #: 86 total cpu time spent up to now is 43.7 secs Computing kpt #: 87 total cpu time spent up to now is 44.1 secs Computing kpt #: 88 total cpu time spent up to now is 44.6 secs Computing kpt #: 89 total cpu time spent up to now is 45.2 secs Computing kpt #: 90 total cpu time spent up to now is 45.7 secs Computing kpt #: 91 total cpu time spent up to now is 46.2 secs Computing kpt #: 92 total cpu time spent up to now is 46.6 secs Computing kpt #: 93 total cpu time spent up to now is 47.1 secs Computing kpt #: 94 total cpu time spent up to now is 47.5 secs Computing kpt #: 95 total cpu time spent up to now is 48.0 secs Computing kpt #: 96 total cpu time spent up to now is 48.5 secs Computing kpt #: 97 total cpu time spent up to now is 48.9 secs Computing kpt #: 98 total cpu time spent up to now is 49.4 secs Computing kpt #: 99 total cpu time spent up to now is 50.0 secs Computing kpt #: 100 total cpu time spent up to now is 50.6 secs Computing kpt #: 101 total cpu time spent up to now is 51.2 secs Computing kpt #: 102 total cpu time spent up to now is 51.8 secs Computing kpt #: 103 total cpu time spent up to now is 52.4 secs Computing kpt #: 104 total cpu time spent up to now is 52.9 secs Computing kpt #: 105 total cpu time spent up to now is 53.5 secs Computing kpt #: 106 total cpu time spent up to now is 54.0 secs Computing kpt #: 107 total cpu time spent up to now is 54.5 secs Computing kpt #: 108 total cpu time spent up to now is 55.0 secs Computing kpt #: 109 total cpu time spent up to now is 55.5 secs Computing kpt #: 110 total cpu time spent up to now is 56.0 secs Computing kpt #: 111 total cpu time spent up to now is 56.6 secs Computing kpt #: 112 total cpu time spent up to now is 57.1 secs Computing kpt #: 113 total cpu time spent up to now is 57.7 secs Computing kpt #: 114 total cpu time spent up to now is 58.1 secs Computing kpt #: 115 total cpu time spent up to now is 58.7 secs Computing kpt #: 116 total cpu time spent up to now is 59.2 secs Computing kpt #: 117 total cpu time spent up to now is 59.7 secs Computing kpt #: 118 total cpu time spent up to now is 60.1 secs Computing kpt #: 119 total cpu time spent up to now is 60.6 secs Computing kpt #: 120 total cpu time spent up to now is 61.0 secs Computing kpt #: 121 total cpu time spent up to now is 61.5 secs Computing kpt #: 122 total cpu time spent up to now is 62.0 secs Computing kpt #: 123 total cpu time spent up to now is 62.4 secs Computing kpt #: 124 total cpu time spent up to now is 62.9 secs Computing kpt #: 125 total cpu time spent up to now is 63.4 secs Computing kpt #: 126 total cpu time spent up to now is 63.9 secs Computing kpt #: 127 total cpu time spent up to now is 64.4 secs Computing kpt #: 128 total cpu time spent up to now is 64.9 secs Computing kpt #: 129 total cpu time spent up to now is 65.3 secs Computing kpt #: 130 total cpu time spent up to now is 65.8 secs Computing kpt #: 131 total cpu time spent up to now is 66.3 secs Computing kpt #: 132 total cpu time spent up to now is 66.7 secs Computing kpt #: 133 total cpu time spent up to now is 67.2 secs Computing kpt #: 134 total cpu time spent up to now is 67.7 secs Computing kpt #: 135 total cpu time spent up to now is 68.2 secs Computing kpt #: 136 total cpu time spent up to now is 68.6 secs Computing kpt #: 137 total cpu time spent up to now is 69.1 secs Computing kpt #: 138 total cpu time spent up to now is 69.6 secs Computing kpt #: 139 total cpu time spent up to now is 70.1 secs Computing kpt #: 140 total cpu time spent up to now is 70.6 secs Computing kpt #: 141 total cpu time spent up to now is 71.1 secs Computing kpt #: 142 total cpu time spent up to now is 71.5 secs Computing kpt #: 143 total cpu time spent up to now is 72.0 secs Computing kpt #: 144 total cpu time spent up to now is 72.4 secs Computing kpt #: 145 total cpu time spent up to now is 72.9 secs Computing kpt #: 146 total cpu time spent up to now is 73.4 secs Computing kpt #: 147 total cpu time spent up to now is 73.8 secs Computing kpt #: 148 total cpu time spent up to now is 74.3 secs Computing kpt #: 149 total cpu time spent up to now is 74.8 secs Computing kpt #: 150 total cpu time spent up to now is 75.2 secs Computing kpt #: 151 total cpu time spent up to now is 75.7 secs Computing kpt #: 152 total cpu time spent up to now is 76.2 secs Computing kpt #: 153 total cpu time spent up to now is 76.7 secs Computing kpt #: 154 total cpu time spent up to now is 77.1 secs Computing kpt #: 155 total cpu time spent up to now is 77.6 secs Computing kpt #: 156 total cpu time spent up to now is 78.2 secs Computing kpt #: 157 total cpu time spent up to now is 78.8 secs Computing kpt #: 158 total cpu time spent up to now is 79.4 secs Computing kpt #: 159 total cpu time spent up to now is 79.9 secs Computing kpt #: 160 total cpu time spent up to now is 80.5 secs Computing kpt #: 161 total cpu time spent up to now is 81.1 secs Computing kpt #: 162 total cpu time spent up to now is 81.7 secs Computing kpt #: 163 total cpu time spent up to now is 82.3 secs Computing kpt #: 164 total cpu time spent up to now is 82.9 secs Computing kpt #: 165 total cpu time spent up to now is 83.5 secs Computing kpt #: 166 total cpu time spent up to now is 84.1 secs Computing kpt #: 167 total cpu time spent up to now is 84.7 secs Computing kpt #: 168 total cpu time spent up to now is 85.2 secs Computing kpt #: 169 total cpu time spent up to now is 85.9 secs Computing kpt #: 170 total cpu time spent up to now is 86.5 secs Computing kpt #: 171 total cpu time spent up to now is 86.9 secs Computing kpt #: 172 total cpu time spent up to now is 87.4 secs Computing kpt #: 173 total cpu time spent up to now is 87.8 secs Computing kpt #: 174 total cpu time spent up to now is 88.2 secs Computing kpt #: 175 total cpu time spent up to now is 88.6 secs Computing kpt #: 176 total cpu time spent up to now is 89.0 secs Computing kpt #: 177 total cpu time spent up to now is 89.5 secs Computing kpt #: 178 total cpu time spent up to now is 89.9 secs Computing kpt #: 179 total cpu time spent up to now is 90.3 secs Computing kpt #: 180 total cpu time spent up to now is 90.7 secs Computing kpt #: 181 total cpu time spent up to now is 91.1 secs Computing kpt #: 182 total cpu time spent up to now is 91.5 secs Computing kpt #: 183 total cpu time spent up to now is 91.9 secs Computing kpt #: 184 total cpu time spent up to now is 92.3 secs Computing kpt #: 185 total cpu time spent up to now is 92.7 secs Computing kpt #: 186 total cpu time spent up to now is 93.1 secs Computing kpt #: 187 total cpu time spent up to now is 93.5 secs Computing kpt #: 188 total cpu time spent up to now is 93.9 secs Computing kpt #: 189 total cpu time spent up to now is 94.3 secs Computing kpt #: 190 total cpu time spent up to now is 94.7 secs Computing kpt #: 191 total cpu time spent up to now is 95.0 secs Computing kpt #: 192 total cpu time spent up to now is 95.4 secs Computing kpt #: 193 total cpu time spent up to now is 95.9 secs Computing kpt #: 194 total cpu time spent up to now is 96.3 secs Computing kpt #: 195 total cpu time spent up to now is 96.7 secs Computing kpt #: 196 total cpu time spent up to now is 97.2 secs Computing kpt #: 197 total cpu time spent up to now is 97.6 secs Computing kpt #: 198 total cpu time spent up to now is 98.1 secs Computing kpt #: 199 total cpu time spent up to now is 98.5 secs Computing kpt #: 200 total cpu time spent up to now is 101.4 secs Computing kpt #: 201 total cpu time spent up to now is 102.0 secs Computing kpt #: 202 total cpu time spent up to now is 102.5 secs Computing kpt #: 203 total cpu time spent up to now is 102.9 secs Computing kpt #: 204 total cpu time spent up to now is 103.4 secs Computing kpt #: 205 total cpu time spent up to now is 103.8 secs Computing kpt #: 206 total cpu time spent up to now is 104.2 secs Computing kpt #: 207 total cpu time spent up to now is 104.7 secs Computing kpt #: 208 total cpu time spent up to now is 105.1 secs Computing kpt #: 209 total cpu time spent up to now is 105.6 secs Computing kpt #: 210 total cpu time spent up to now is 106.0 secs Computing kpt #: 211 total cpu time spent up to now is 106.4 secs Computing kpt #: 212 total cpu time spent up to now is 106.9 secs Computing kpt #: 213 total cpu time spent up to now is 107.3 secs Computing kpt #: 214 total cpu time spent up to now is 107.8 secs Computing kpt #: 215 total cpu time spent up to now is 108.3 secs Computing kpt #: 216 total cpu time spent up to now is 108.7 secs Computing kpt #: 217 total cpu time spent up to now is 109.2 secs Computing kpt #: 218 total cpu time spent up to now is 109.6 secs Computing kpt #: 219 total cpu time spent up to now is 110.1 secs Computing kpt #: 220 total cpu time spent up to now is 110.6 secs Computing kpt #: 221 total cpu time spent up to now is 111.2 secs Computing kpt #: 222 total cpu time spent up to now is 111.7 secs Computing kpt #: 223 total cpu time spent up to now is 112.1 secs Computing kpt #: 224 total cpu time spent up to now is 112.6 secs Computing kpt #: 225 total cpu time spent up to now is 113.0 secs Computing kpt #: 226 total cpu time spent up to now is 113.4 secs Computing kpt #: 227 total cpu time spent up to now is 113.9 secs Computing kpt #: 228 total cpu time spent up to now is 114.3 secs Computing kpt #: 229 total cpu time spent up to now is 114.7 secs Computing kpt #: 230 total cpu time spent up to now is 115.1 secs Computing kpt #: 231 total cpu time spent up to now is 115.5 secs Computing kpt #: 232 total cpu time spent up to now is 115.9 secs Computing kpt #: 233 total cpu time spent up to now is 116.3 secs Computing kpt #: 234 total cpu time spent up to now is 116.7 secs Computing kpt #: 235 total cpu time spent up to now is 117.1 secs Computing kpt #: 236 total cpu time spent up to now is 117.5 secs Computing kpt #: 237 total cpu time spent up to now is 117.9 secs Computing kpt #: 238 total cpu time spent up to now is 118.3 secs Computing kpt #: 239 total cpu time spent up to now is 118.7 secs Computing kpt #: 240 total cpu time spent up to now is 119.1 secs Computing kpt #: 241 total cpu time spent up to now is 119.5 secs Computing kpt #: 242 total cpu time spent up to now is 119.9 secs Computing kpt #: 243 total cpu time spent up to now is 120.3 secs Computing kpt #: 244 total cpu time spent up to now is 120.7 secs Computing kpt #: 245 total cpu time spent up to now is 121.2 secs Computing kpt #: 246 total cpu time spent up to now is 121.6 secs Computing kpt #: 247 total cpu time spent up to now is 122.0 secs Computing kpt #: 248 total cpu time spent up to now is 122.5 secs Computing kpt #: 249 total cpu time spent up to now is 122.9 secs Computing kpt #: 250 total cpu time spent up to now is 123.4 secs Computing kpt #: 251 total cpu time spent up to now is 123.9 secs Computing kpt #: 252 total cpu time spent up to now is 124.5 secs Computing kpt #: 253 total cpu time spent up to now is 125.1 secs Computing kpt #: 254 total cpu time spent up to now is 125.6 secs Computing kpt #: 255 total cpu time spent up to now is 126.2 secs Computing kpt #: 256 total cpu time spent up to now is 126.8 secs Computing kpt #: 257 total cpu time spent up to now is 127.4 secs Computing kpt #: 258 total cpu time spent up to now is 127.9 secs Computing kpt #: 259 total cpu time spent up to now is 128.3 secs Computing kpt #: 260 total cpu time spent up to now is 128.8 secs Computing kpt #: 261 total cpu time spent up to now is 129.3 secs Computing kpt #: 262 total cpu time spent up to now is 129.7 secs Computing kpt #: 263 total cpu time spent up to now is 130.1 secs Computing kpt #: 264 total cpu time spent up to now is 130.6 secs Computing kpt #: 265 total cpu time spent up to now is 131.0 secs Computing kpt #: 266 total cpu time spent up to now is 131.4 secs Computing kpt #: 267 total cpu time spent up to now is 131.8 secs Computing kpt #: 268 total cpu time spent up to now is 132.2 secs Computing kpt #: 269 total cpu time spent up to now is 132.6 secs Computing kpt #: 270 total cpu time spent up to now is 133.0 secs Computing kpt #: 271 total cpu time spent up to now is 133.4 secs Computing kpt #: 272 total cpu time spent up to now is 133.8 secs Computing kpt #: 273 total cpu time spent up to now is 134.2 secs Computing kpt #: 274 total cpu time spent up to now is 134.6 secs Computing kpt #: 275 total cpu time spent up to now is 135.0 secs Computing kpt #: 276 total cpu time spent up to now is 135.4 secs Computing kpt #: 277 total cpu time spent up to now is 135.8 secs Computing kpt #: 278 total cpu time spent up to now is 136.2 secs Computing kpt #: 279 total cpu time spent up to now is 136.7 secs Computing kpt #: 280 total cpu time spent up to now is 137.1 secs Computing kpt #: 281 total cpu time spent up to now is 137.6 secs Computing kpt #: 282 total cpu time spent up to now is 138.0 secs Computing kpt #: 283 total cpu time spent up to now is 138.5 secs Computing kpt #: 284 total cpu time spent up to now is 139.0 secs Computing kpt #: 285 total cpu time spent up to now is 139.6 secs Computing kpt #: 286 total cpu time spent up to now is 140.1 secs Computing kpt #: 287 total cpu time spent up to now is 140.5 secs Computing kpt #: 288 total cpu time spent up to now is 141.0 secs Computing kpt #: 289 total cpu time spent up to now is 141.4 secs Computing kpt #: 290 total cpu time spent up to now is 141.9 secs Computing kpt #: 291 total cpu time spent up to now is 142.3 secs Computing kpt #: 292 total cpu time spent up to now is 142.7 secs Computing kpt #: 293 total cpu time spent up to now is 143.2 secs Computing kpt #: 294 total cpu time spent up to now is 143.6 secs Computing kpt #: 295 total cpu time spent up to now is 144.0 secs Computing kpt #: 296 total cpu time spent up to now is 144.5 secs Computing kpt #: 297 total cpu time spent up to now is 145.0 secs Computing kpt #: 298 total cpu time spent up to now is 145.4 secs Computing kpt #: 299 total cpu time spent up to now is 145.9 secs Computing kpt #: 300 total cpu time spent up to now is 146.4 secs Computing kpt #: 301 total cpu time spent up to now is 146.8 secs Computing kpt #: 302 total cpu time spent up to now is 147.3 secs Computing kpt #: 303 total cpu time spent up to now is 147.7 secs Computing kpt #: 304 total cpu time spent up to now is 148.2 secs Computing kpt #: 305 total cpu time spent up to now is 148.6 secs Computing kpt #: 306 total cpu time spent up to now is 149.1 secs Computing kpt #: 307 total cpu time spent up to now is 149.5 secs Computing kpt #: 308 total cpu time spent up to now is 149.9 secs Computing kpt #: 309 total cpu time spent up to now is 150.4 secs Computing kpt #: 310 total cpu time spent up to now is 150.8 secs Computing kpt #: 311 total cpu time spent up to now is 151.3 secs Computing kpt #: 312 total cpu time spent up to now is 151.7 secs Computing kpt #: 313 total cpu time spent up to now is 152.2 secs Computing kpt #: 314 total cpu time spent up to now is 152.6 secs Computing kpt #: 315 total cpu time spent up to now is 153.1 secs Computing kpt #: 316 total cpu time spent up to now is 153.5 secs Computing kpt #: 317 total cpu time spent up to now is 154.0 secs Computing kpt #: 318 total cpu time spent up to now is 154.4 secs Computing kpt #: 319 total cpu time spent up to now is 154.9 secs Computing kpt #: 320 total cpu time spent up to now is 155.3 secs ethr = 2.78E-08, avg # of iterations = 16.9 total cpu time spent up to now is 155.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8393 PWs) bands (ev): -69.1400 -69.1400 -69.1381 -69.1381 -39.9440 -39.9440 -36.0979 -36.0979 -36.0880 -36.0880 -35.8102 -35.8102 -35.8102 -35.8102 -35.8000 -35.8000 -35.8000 -35.8000 -7.9048 -7.9048 -7.9048 -7.9048 -7.4560 -7.4560 -7.4392 -7.4392 -7.4392 -7.4392 -1.7102 -1.7102 7.2681 7.2681 7.3813 7.3813 7.3813 7.3813 8.8064 8.8064 9.1439 9.1439 9.1553 9.1553 9.1553 9.1553 k = 0.0104-0.0060 0.0085 ( 8393 PWs) bands (ev): -69.1400 -69.1400 -69.1381 -69.1381 -39.9440 -39.9440 -36.0979 -36.0979 -36.0880 -36.0880 -35.8102 -35.8102 -35.8102 -35.8102 -35.8000 -35.8000 -35.8000 -35.8000 -7.9048 -7.9048 -7.9048 -7.9048 -7.4560 -7.4560 -7.4392 -7.4392 -7.4392 -7.4392 -1.7089 -1.7089 7.2591 7.2591 7.3709 7.3709 7.3721 7.3721 8.8180 8.8180 9.1441 9.1441 9.1612 9.1612 9.1663 9.1663 k = 0.0208-0.0120 0.0170 ( 8409 PWs) bands (ev): -69.1400 -69.1400 -69.1381 -69.1381 -39.9440 -39.9440 -36.0979 -36.0979 -36.0880 -36.0880 -35.8102 -35.8102 -35.8102 -35.8102 -35.8000 -35.8000 -35.8000 -35.8000 -7.9048 -7.9048 -7.9048 -7.9048 -7.4560 -7.4560 -7.4392 -7.4392 -7.4392 -7.4392 -1.7050 -1.7050 7.2327 7.2327 7.3407 7.3407 7.3453 7.3453 8.8521 8.8521 9.1289 9.1289 9.1939 9.1939 9.1989 9.1989 k = 0.0312-0.0180 0.0255 ( 8428 PWs) bands (ev): -69.1400 -69.1400 -69.1381 -69.1381 -39.9440 -39.9440 -36.0979 -36.0979 -36.0881 -36.0881 -35.8102 -35.8102 -35.8102 -35.8102 -35.8001 -35.8001 -35.8000 -35.8000 -7.9048 -7.9048 -7.9048 -7.9048 -7.4560 -7.4560 -7.4392 -7.4392 -7.4392 -7.4392 -1.6984 -1.6984 7.1905 7.1905 7.2933 7.2933 7.3027 7.3027 8.9059 8.9059 9.1022 9.1022 9.2485 9.2485 9.2513 9.2513 k = 0.0417-0.0241 0.0340 ( 8448 PWs) bands (ev): -69.1400 -69.1400 -69.1381 -69.1381 -39.9441 -39.9441 -36.0979 -36.0979 -36.0881 -36.0881 -35.8103 -35.8103 -35.8101 -35.8101 -35.8002 -35.8002 -35.8000 -35.8000 -7.9048 -7.9048 -7.9048 -7.9048 -7.4560 -7.4560 -7.4392 -7.4392 -7.4391 -7.4391 -1.6893 -1.6893 7.1345 7.1345 7.2321 7.2321 7.2471 7.2471 8.9763 8.9763 9.0657 9.0657 9.3211 9.3211 9.3211 9.3211 k = 0.0521-0.0301 0.0425 ( 8444 PWs) bands (ev): -69.1400 -69.1400 -69.1381 -69.1381 -39.9441 -39.9441 -36.0979 -36.0979 -36.0881 -36.0881 -35.8103 -35.8103 -35.8100 -35.8100 -35.8002 -35.8002 -35.8000 -35.8000 -7.9048 -7.9048 -7.9047 -7.9047 -7.4559 -7.4559 -7.4392 -7.4392 -7.4391 -7.4391 -1.6776 -1.6776 7.0669 7.0669 7.1603 7.1603 7.1810 7.1810 9.0208 9.0208 9.0596 9.0596 9.4057 9.4057 9.4088 9.4088 k = 0.0625-0.0361 0.0510 ( 8460 PWs) bands (ev): -69.1400 -69.1400 -69.1381 -69.1381 -39.9441 -39.9441 -36.0978 -36.0978 -36.0882 -36.0882 -35.8103 -35.8103 -35.8099 -35.8099 -35.8003 -35.8003 -35.8000 -35.8000 -7.9048 -7.9048 -7.9047 -7.9047 -7.4559 -7.4559 -7.4392 -7.4392 -7.4391 -7.4391 -1.6633 -1.6633 6.9898 6.9898 7.0810 7.0810 7.1072 7.1072 8.9685 8.9685 9.1526 9.1526 9.5027 9.5027 9.5090 9.5090 k = 0.0729-0.0421 0.0595 ( 8460 PWs) bands (ev): -69.1400 -69.1400 -69.1381 -69.1381 -39.9441 -39.9441 -36.0978 -36.0978 -36.0882 -36.0882 -35.8103 -35.8103 -35.8098 -35.8098 -35.8004 -35.8004 -35.8000 -35.8000 -7.9048 -7.9048 -7.9046 -7.9046 -7.4558 -7.4558 -7.4392 -7.4392 -7.4390 -7.4390 -1.6463 -1.6463 6.9047 6.9047 6.9967 6.9967 7.0276 7.0276 8.9101 8.9101 9.2520 9.2520 9.6098 9.6098 9.6194 9.6194 k = 0.0833-0.0481 0.0680 ( 8472 PWs) bands (ev): -69.1400 -69.1400 -69.1381 -69.1381 -39.9441 -39.9441 -36.0977 -36.0977 -36.0883 -36.0883 -35.8103 -35.8103 -35.8097 -35.8097 -35.8006 -35.8006 -35.7999 -35.7999 -7.9048 -7.9048 -7.9046 -7.9046 -7.4557 -7.4557 -7.4392 -7.4392 -7.4390 -7.4390 -1.6268 -1.6268 6.8129 6.8129 6.9093 6.9093 6.9441 6.9441 8.8467 8.8467 9.3526 9.3526 9.7249 9.7249 9.7381 9.7381 k = 0.0938-0.0541 0.0765 ( 8460 PWs) bands (ev): -69.1399 -69.1399 -69.1382 -69.1382 -39.9441 -39.9441 -36.0977 -36.0977 -36.0883 -36.0883 -35.8103 -35.8103 -35.8096 -35.8096 -35.8007 -35.8007 -35.7999 -35.7999 -7.9047 -7.9047 -7.9045 -7.9045 -7.4556 -7.4556 -7.4392 -7.4392 -7.4389 -7.4389 -1.6047 -1.6047 6.7152 6.7152 6.8203 6.8203 6.8581 6.8581 8.7793 8.7793 9.4424 9.4424 9.8450 9.8450 9.8633 9.8633 k = 0.1042-0.0601 0.0851 ( 8452 PWs) bands (ev): -69.1399 -69.1399 -69.1382 -69.1382 -39.9441 -39.9441 -36.0976 -36.0976 -36.0884 -36.0884 -35.8104 -35.8104 -35.8094 -35.8094 -35.8008 -35.8008 -35.7999 -35.7999 -7.9047 -7.9047 -7.9044 -7.9044 -7.4556 -7.4556 -7.4392 -7.4392 -7.4389 -7.4389 -1.5800 -1.5800 6.6127 6.6127 6.7307 6.7307 6.7706 6.7706 8.7088 8.7088 9.4809 9.4809 9.8351 9.8351 9.9762 9.9762 k = 0.1146-0.0662 0.0936 ( 8448 PWs) bands (ev): -69.1399 -69.1399 -69.1382 -69.1382 -39.9441 -39.9441 -36.0976 -36.0976 -36.0885 -36.0885 -35.8104 -35.8104 -35.8093 -35.8093 -35.8010 -35.8010 -35.7999 -35.7999 -7.9047 -7.9047 -7.9044 -7.9044 -7.4555 -7.4555 -7.4392 -7.4392 -7.4388 -7.4388 -1.5527 -1.5527 6.5058 6.5058 6.6412 6.6412 6.6824 6.6824 8.6361 8.6361 9.4114 9.4114 9.8614 9.8614 10.1066 10.1066 k = 0.1250-0.0722 0.1021 ( 8444 PWs) bands (ev): -69.1399 -69.1399 -69.1382 -69.1382 -39.9441 -39.9441 -36.0975 -36.0975 -36.0885 -36.0885 -35.8104 -35.8104 -35.8091 -35.8091 -35.8012 -35.8012 -35.7999 -35.7999 -7.9047 -7.9047 -7.9043 -7.9043 -7.4554 -7.4554 -7.4391 -7.4391 -7.4388 -7.4388 -1.5229 -1.5229 6.3953 6.3953 6.5522 6.5522 6.5942 6.5942 8.5618 8.5618 9.2778 9.2778 9.9597 9.9597 10.2402 10.2402 k = 0.1354-0.0782 0.1106 ( 8452 PWs) bands (ev): -69.1399 -69.1399 -69.1382 -69.1382 -39.9441 -39.9441 -36.0974 -36.0974 -36.0886 -36.0886 -35.8104 -35.8104 -35.8089 -35.8089 -35.8014 -35.8014 -35.7998 -35.7998 -7.9046 -7.9046 -7.9042 -7.9042 -7.4553 -7.4553 -7.4391 -7.4391 -7.4387 -7.4387 -1.4905 -1.4905 6.2814 6.2814 6.4642 6.4642 6.5065 6.5065 8.4865 8.4865 9.1281 9.1281 10.0827 10.0827 10.3753 10.3753 k = 0.1458-0.0842 0.1191 ( 8444 PWs) bands (ev): -69.1399 -69.1399 -69.1382 -69.1382 -39.9441 -39.9441 -36.0973 -36.0973 -36.0887 -36.0887 -35.8105 -35.8105 -35.8087 -35.8087 -35.8016 -35.8016 -35.7998 -35.7998 -7.9046 -7.9046 -7.9041 -7.9041 -7.4551 -7.4551 -7.4391 -7.4391 -7.4386 -7.4386 -1.4556 -1.4556 6.1646 6.1646 6.3773 6.3773 6.4197 6.4197 8.4108 8.4108 8.9764 8.9764 10.2164 10.2164 10.5106 10.5106 k = 0.1562-0.0902 0.1276 ( 8428 PWs) bands (ev): -69.1399 -69.1399 -69.1382 -69.1382 -39.9441 -39.9441 -36.0972 -36.0972 -36.0888 -36.0888 -35.8105 -35.8105 -35.8085 -35.8085 -35.8018 -35.8018 -35.7998 -35.7998 -7.9046 -7.9046 -7.9040 -7.9040 -7.4550 -7.4550 -7.4391 -7.4391 -7.4385 -7.4385 -1.4181 -1.4181 6.0449 6.0449 6.2918 6.2918 6.3341 6.3341 8.3351 8.3351 8.8270 8.8270 10.3565 10.3565 10.6446 10.6446 k = 0.1667-0.0962 0.1361 ( 8420 PWs) bands (ev): -69.1398 -69.1398 -69.1383 -69.1383 -39.9440 -39.9440 -36.0972 -36.0972 -36.0889 -36.0889 -35.8105 -35.8105 -35.8083 -35.8083 -35.8020 -35.8020 -35.7998 -35.7998 -7.9045 -7.9045 -7.9039 -7.9039 -7.4549 -7.4549 -7.4391 -7.4391 -7.4384 -7.4384 -1.3782 -1.3782 5.9227 5.9227 6.2080 6.2080 6.2500 6.2500 8.2598 8.2598 8.6818 8.6818 10.5012 10.5012 10.7759 10.7759 k = 0.1771-0.1022 0.1446 ( 8428 PWs) bands (ev): -69.1398 -69.1398 -69.1383 -69.1383 -39.9441 -39.9441 -36.0971 -36.0971 -36.0890 -36.0890 -35.8106 -35.8106 -35.8081 -35.8081 -35.8023 -35.8023 -35.7997 -35.7997 -7.9045 -7.9045 -7.9037 -7.9037 -7.4548 -7.4548 -7.4391 -7.4391 -7.4383 -7.4383 -1.3357 -1.3357 5.7979 5.7979 6.1259 6.1259 6.1676 6.1676 8.1851 8.1851 8.5416 8.5416 10.6496 10.6496 10.9031 10.9031 k = 0.1875-0.1083 0.1531 ( 8424 PWs) bands (ev): -69.1398 -69.1398 -69.1383 -69.1383 -39.9441 -39.9441 -36.0970 -36.0970 -36.0891 -36.0891 -35.8106 -35.8106 -35.8078 -35.8078 -35.8025 -35.8025 -35.7997 -35.7997 -7.9045 -7.9045 -7.9036 -7.9036 -7.4547 -7.4547 -7.4391 -7.4391 -7.4382 -7.4382 -1.2907 -1.2907 5.6708 5.6708 6.0458 6.0458 6.0870 6.0870 8.1114 8.1114 8.4069 8.4069 10.8010 10.8010 11.0253 11.0253 k = 0.1979-0.1143 0.1616 ( 8404 PWs) bands (ev): -69.1398 -69.1398 -69.1383 -69.1383 -39.9440 -39.9440 -36.0969 -36.0969 -36.0892 -36.0892 -35.8107 -35.8107 -35.8076 -35.8076 -35.8027 -35.8027 -35.7997 -35.7997 -7.9044 -7.9044 -7.9035 -7.9035 -7.4545 -7.4545 -7.4391 -7.4391 -7.4381 -7.4381 -1.2433 -1.2433 5.5414 5.5414 5.9676 5.9676 6.0084 6.0084 8.0389 8.0389 8.2779 8.2779 10.9549 10.9549 11.1418 11.1418 k = 0.2083-0.1203 0.1701 ( 8420 PWs) bands (ev): -69.1398 -69.1398 -69.1383 -69.1383 -39.9441 -39.9441 -36.0968 -36.0968 -36.0893 -36.0893 -35.8107 -35.8107 -35.8073 -35.8073 -35.8030 -35.8030 -35.7996 -35.7996 -7.9044 -7.9044 -7.9034 -7.9034 -7.4544 -7.4544 -7.4390 -7.4390 -7.4380 -7.4380 -1.1934 -1.1934 5.4100 5.4100 5.8916 5.8916 5.9320 5.9320 7.9678 7.9678 8.1549 8.1549 11.1100 11.1100 11.2532 11.2532 k = 0.2188-0.1263 0.1786 ( 8416 PWs) bands (ev): -69.1397 -69.1397 -69.1384 -69.1384 -39.9441 -39.9441 -36.0967 -36.0967 -36.0894 -36.0894 -35.8107 -35.8107 -35.8071 -35.8071 -35.8032 -35.8032 -35.7996 -35.7996 -7.9044 -7.9044 -7.9032 -7.9032 -7.4543 -7.4543 -7.4390 -7.4390 -7.4379 -7.4379 -1.1412 -1.1412 5.2767 5.2767 5.8178 5.8178 5.8578 5.8578 7.8983 7.8983 8.0380 8.0380 11.2632 11.2632 11.3630 11.3630 k = 0.2292-0.1323 0.1871 ( 8440 PWs) bands (ev): -69.1397 -69.1397 -69.1384 -69.1384 -39.9441 -39.9441 -36.0966 -36.0966 -36.0895 -36.0895 -35.8108 -35.8108 -35.8068 -35.8068 -35.8035 -35.8035 -35.7996 -35.7996 -7.9043 -7.9043 -7.9031 -7.9031 -7.4542 -7.4542 -7.4390 -7.4390 -7.4377 -7.4377 -1.0865 -1.0865 5.1416 5.1416 5.7463 5.7463 5.7859 5.7859 7.8305 7.8305 7.9270 7.9270 11.4029 11.4029 11.4833 11.4833 k = 0.2396-0.1383 0.1956 ( 8440 PWs) bands (ev): -69.1397 -69.1397 -69.1384 -69.1384 -39.9441 -39.9441 -36.0965 -36.0965 -36.0897 -36.0897 -35.8108 -35.8108 -35.8066 -35.8066 -35.8038 -35.8038 -35.7995 -35.7995 -7.9043 -7.9043 -7.9030 -7.9030 -7.4541 -7.4541 -7.4390 -7.4390 -7.4376 -7.4376 -1.0295 -1.0295 5.0050 5.0050 5.6772 5.6772 5.7163 5.7163 7.7646 7.7646 7.8220 7.8220 11.5147 11.5147 11.5956 11.5956 k = 0.2500-0.1443 0.2041 ( 8412 PWs) bands (ev): -69.1397 -69.1397 -69.1384 -69.1384 -39.9441 -39.9441 -36.0964 -36.0964 -36.0898 -36.0898 -35.8109 -35.8109 -35.8063 -35.8063 -35.8040 -35.8040 -35.7995 -35.7995 -7.9042 -7.9042 -7.9028 -7.9028 -7.4539 -7.4539 -7.4390 -7.4390 -7.4375 -7.4375 -0.9701 -0.9701 4.8672 4.8672 5.6105 5.6105 5.6492 5.6492 7.7007 7.7007 7.7228 7.7228 11.6099 11.6099 11.6843 11.6843 k = 0.2604-0.1504 0.2126 ( 8428 PWs) bands (ev): -69.1397 -69.1397 -69.1384 -69.1384 -39.9441 -39.9441 -36.0963 -36.0963 -36.0899 -36.0899 -35.8109 -35.8109 -35.8061 -35.8061 -35.8043 -35.8043 -35.7995 -35.7995 -7.9042 -7.9042 -7.9027 -7.9027 -7.4538 -7.4538 -7.4390 -7.4390 -7.4373 -7.4373 -0.9085 -0.9085 4.7283 4.7283 5.5462 5.5462 5.5846 5.5846 7.6293 7.6293 7.6388 7.6388 11.6985 11.6985 11.7702 11.7702 k = 0.2708-0.1564 0.2211 ( 8428 PWs) bands (ev): -69.1396 -69.1396 -69.1385 -69.1385 -39.9441 -39.9441 -36.0962 -36.0962 -36.0900 -36.0900 -35.8109 -35.8109 -35.8058 -35.8058 -35.8045 -35.8045 -35.7994 -35.7994 -7.9042 -7.9042 -7.9026 -7.9026 -7.4537 -7.4537 -7.4389 -7.4389 -7.4372 -7.4372 -0.8447 -0.8447 4.5887 4.5887 5.4845 5.4845 5.5225 5.5225 7.5414 7.5414 7.5791 7.5791 11.7840 11.7840 11.8541 11.8541 k = 0.2812-0.1624 0.2296 ( 8424 PWs) bands (ev): -69.1396 -69.1396 -69.1385 -69.1385 -39.9441 -39.9441 -36.0961 -36.0961 -36.0901 -36.0901 -35.8110 -35.8110 -35.8055 -35.8055 -35.8048 -35.8048 -35.7994 -35.7994 -7.9041 -7.9041 -7.9025 -7.9025 -7.4536 -7.4536 -7.4389 -7.4389 -7.4370 -7.4370 -0.7786 -0.7786 4.4486 4.4486 5.4253 5.4253 5.4629 5.4629 7.4589 7.4589 7.5216 7.5216 11.8677 11.8677 11.9368 11.9368 k = 0.2917-0.1684 0.2381 ( 8436 PWs) bands (ev): -69.1396 -69.1396 -69.1385 -69.1385 -39.9441 -39.9441 -36.0960 -36.0960 -36.0902 -36.0902 -35.8110 -35.8110 -35.8053 -35.8053 -35.8050 -35.8050 -35.7994 -35.7994 -7.9041 -7.9041 -7.9023 -7.9023 -7.4535 -7.4535 -7.4389 -7.4389 -7.4369 -7.4369 -0.7105 -0.7105 4.3083 4.3083 5.3687 5.3687 5.4060 5.4060 7.3815 7.3815 7.4665 7.4665 11.9505 11.9505 12.0188 12.0188 k = 0.3021-0.1744 0.2467 ( 8440 PWs) bands (ev): -69.1396 -69.1396 -69.1385 -69.1385 -39.9441 -39.9441 -36.0959 -36.0959 -36.0903 -36.0903 -35.8111 -35.8111 -35.8053 -35.8053 -35.8050 -35.8050 -35.7993 -35.7993 -7.9041 -7.9041 -7.9022 -7.9022 -7.4534 -7.4534 -7.4389 -7.4389 -7.4367 -7.4367 -0.6404 -0.6404 4.1682 4.1682 5.3147 5.3147 5.3517 5.3517 7.3092 7.3092 7.4138 7.4138 12.0328 12.0328 12.1006 12.1006 k = 0.3125-0.1804 0.2552 ( 8444 PWs) bands (ev): -69.1396 -69.1396 -69.1385 -69.1385 -39.9441 -39.9441 -36.0958 -36.0958 -36.0905 -36.0905 -35.8111 -35.8111 -35.8055 -35.8055 -35.8048 -35.8048 -35.7993 -35.7993 -7.9040 -7.9040 -7.9021 -7.9021 -7.4533 -7.4533 -7.4388 -7.4388 -7.4366 -7.4366 -0.5683 -0.5683 4.0285 4.0285 5.2633 5.2633 5.3001 5.3001 7.2418 7.2418 7.3635 7.3635 12.1149 12.1149 12.1824 12.1824 k = 0.3229-0.1864 0.2637 ( 8444 PWs) bands (ev): -69.1395 -69.1395 -69.1386 -69.1386 -39.9441 -39.9441 -36.0957 -36.0957 -36.0906 -36.0906 -35.8111 -35.8111 -35.8058 -35.8058 -35.8046 -35.8046 -35.7993 -35.7993 -7.9040 -7.9040 -7.9019 -7.9019 -7.4532 -7.4532 -7.4388 -7.4388 -7.4365 -7.4365 -0.4945 -0.4945 3.8895 3.8895 5.2147 5.2147 5.2511 5.2511 7.1790 7.1790 7.3156 7.3156 12.1971 12.1971 12.2643 12.2643 k = 0.3333-0.1925 0.2722 ( 8420 PWs) bands (ev): -69.1395 -69.1395 -69.1386 -69.1386 -39.9441 -39.9441 -36.0956 -36.0956 -36.0907 -36.0907 -35.8112 -35.8112 -35.8060 -35.8060 -35.8043 -35.8043 -35.7992 -35.7992 -7.9040 -7.9040 -7.9018 -7.9018 -7.4531 -7.4531 -7.4388 -7.4388 -7.4363 -7.4363 -0.4189 -0.4189 3.7516 3.7516 5.1687 5.1687 5.2049 5.2049 7.1206 7.1206 7.2704 7.2704 12.2793 12.2793 12.3464 12.3464 k = 0.3438-0.1985 0.2807 ( 8440 PWs) bands (ev): -69.1395 -69.1395 -69.1386 -69.1386 -39.9441 -39.9441 -36.0956 -36.0956 -36.0908 -36.0908 -35.8112 -35.8112 -35.8062 -35.8062 -35.8041 -35.8041 -35.7992 -35.7992 -7.9039 -7.9039 -7.9017 -7.9017 -7.4530 -7.4530 -7.4388 -7.4388 -7.4362 -7.4362 -0.3418 -0.3418 3.6151 3.6151 5.1254 5.1254 5.1613 5.1613 7.0666 7.0666 7.2276 7.2276 12.3616 12.3616 12.4287 12.4287 k = 0.3542-0.2045 0.2892 ( 8440 PWs) bands (ev): -69.1395 -69.1395 -69.1386 -69.1386 -39.9441 -39.9441 -36.0955 -36.0955 -36.0909 -36.0909 -35.8112 -35.8112 -35.8064 -35.8064 -35.8039 -35.8039 -35.7992 -35.7992 -7.9039 -7.9039 -7.9016 -7.9016 -7.4530 -7.4530 -7.4387 -7.4387 -7.4360 -7.4360 -0.2633 -0.2633 3.4804 3.4804 5.0848 5.0848 5.1206 5.1206 7.0167 7.0167 7.1876 7.1876 12.4438 12.4438 12.5110 12.5110 k = 0.3646-0.2105 0.2977 ( 8432 PWs) bands (ev): -69.1395 -69.1395 -69.1386 -69.1386 -39.9441 -39.9441 -36.0954 -36.0954 -36.0910 -36.0910 -35.8113 -35.8113 -35.8066 -35.8066 -35.8037 -35.8037 -35.7992 -35.7992 -7.9039 -7.9039 -7.9015 -7.9015 -7.4529 -7.4529 -7.4387 -7.4387 -7.4359 -7.4359 -0.1838 -0.1838 3.3479 3.3479 5.0470 5.0470 5.0825 5.0825 6.9709 6.9709 7.1501 7.1501 12.5258 12.5258 12.5931 12.5931 k = 0.3750-0.2165 0.3062 ( 8440 PWs) bands (ev): -69.1395 -69.1395 -69.1386 -69.1386 -39.9441 -39.9441 -36.0953 -36.0953 -36.0910 -36.0910 -35.8113 -35.8113 -35.8068 -35.8068 -35.8035 -35.8035 -35.7991 -35.7991 -7.9039 -7.9039 -7.9014 -7.9014 -7.4528 -7.4528 -7.4387 -7.4387 -7.4358 -7.4358 -0.1034 -0.1034 3.2179 3.2179 5.0119 5.0119 5.0473 5.0473 6.9290 6.9290 7.1153 7.1153 12.6071 12.6071 12.6748 12.6748 k = 0.3854-0.2225 0.3147 ( 8444 PWs) bands (ev): -69.1394 -69.1394 -69.1386 -69.1386 -39.9441 -39.9441 -36.0953 -36.0953 -36.0911 -36.0911 -35.8113 -35.8113 -35.8070 -35.8070 -35.8033 -35.8033 -35.7991 -35.7991 -7.9038 -7.9038 -7.9013 -7.9013 -7.4528 -7.4528 -7.4387 -7.4387 -7.4357 -7.4357 -0.0227 -0.0227 3.0910 3.0910 4.9796 4.9796 5.0148 5.0148 6.8908 6.8908 7.0832 7.0832 12.6876 12.6876 12.7555 12.7555 k = 0.3958-0.2285 0.3232 ( 8436 PWs) bands (ev): -69.1394 -69.1394 -69.1387 -69.1387 -39.9441 -39.9441 -36.0952 -36.0952 -36.0912 -36.0912 -35.8113 -35.8113 -35.8071 -35.8071 -35.8032 -35.8032 -35.7991 -35.7991 -7.9038 -7.9038 -7.9012 -7.9012 -7.4527 -7.4527 -7.4387 -7.4387 -7.4356 -7.4356 0.0581 0.0581 2.9679 2.9679 4.9501 4.9501 4.9851 4.9851 6.8563 6.8563 7.0539 7.0539 12.7665 12.7665 12.8349 12.8349 k = 0.4062-0.2345 0.3317 ( 8428 PWs) bands (ev): -69.1394 -69.1394 -69.1387 -69.1387 -39.9441 -39.9441 -36.0952 -36.0952 -36.0913 -36.0913 -35.8114 -35.8114 -35.8073 -35.8073 -35.8030 -35.8030 -35.7991 -35.7991 -7.9038 -7.9038 -7.9011 -7.9011 -7.4526 -7.4526 -7.4386 -7.4386 -7.4355 -7.4355 0.1382 0.1382 2.8490 2.8490 4.9234 4.9234 4.9582 4.9582 6.8253 6.8253 7.0272 7.0272 12.8433 12.8433 12.9123 12.9123 k = 0.4167-0.2406 0.3402 ( 8432 PWs) bands (ev): -69.1394 -69.1394 -69.1387 -69.1387 -39.9441 -39.9441 -36.0951 -36.0951 -36.0913 -36.0913 -35.8114 -35.8114 -35.8074 -35.8074 -35.8029 -35.8029 -35.7991 -35.7991 -7.9038 -7.9038 -7.9011 -7.9011 -7.4526 -7.4526 -7.4386 -7.4386 -7.4354 -7.4354 0.2170 0.2170 2.7354 2.7354 4.8994 4.8994 4.9342 4.9342 6.7979 6.7979 7.0034 7.0034 12.9172 12.9172 12.9869 12.9869 k = 0.4271-0.2466 0.3487 ( 8428 PWs) bands (ev): -69.1394 -69.1394 -69.1387 -69.1387 -39.9441 -39.9441 -36.0951 -36.0951 -36.0914 -36.0914 -35.8114 -35.8114 -35.8075 -35.8075 -35.8027 -35.8027 -35.7990 -35.7990 -7.9038 -7.9038 -7.9010 -7.9010 -7.4526 -7.4526 -7.4386 -7.4386 -7.4353 -7.4353 0.2934 0.2934 2.6281 2.6281 4.8783 4.8783 4.9129 4.9129 6.7738 6.7738 6.9823 6.9823 12.9873 12.9873 13.0576 13.0576 k = 0.4375-0.2526 0.3572 ( 8440 PWs) bands (ev): -69.1394 -69.1394 -69.1387 -69.1387 -39.9441 -39.9441 -36.0950 -36.0950 -36.0914 -36.0914 -35.8114 -35.8114 -35.8076 -35.8076 -35.8026 -35.8026 -35.7990 -35.7990 -7.9037 -7.9037 -7.9010 -7.9010 -7.4525 -7.4525 -7.4386 -7.4386 -7.4352 -7.4352 0.3662 0.3662 2.5284 2.5284 4.8599 4.8599 4.8945 4.8945 6.7531 6.7531 6.9640 6.9640 13.0523 13.0523 13.1235 13.1235 k = 0.4479-0.2586 0.3657 ( 8440 PWs) bands (ev): -69.1394 -69.1394 -69.1387 -69.1387 -39.9441 -39.9441 -36.0950 -36.0950 -36.0915 -36.0915 -35.8114 -35.8114 -35.8077 -35.8077 -35.8025 -35.8025 -35.7990 -35.7990 -7.9037 -7.9037 -7.9009 -7.9009 -7.4525 -7.4525 -7.4386 -7.4386 -7.4351 -7.4351 0.4338 0.4338 2.4379 2.4379 4.8444 4.8444 4.8789 4.8789 6.7356 6.7356 6.9484 6.9484 13.1111 13.1111 13.1831 13.1831 k = 0.4583-0.2646 0.3742 ( 8424 PWs) bands (ev): -69.1394 -69.1394 -69.1387 -69.1387 -39.9441 -39.9441 -36.0950 -36.0950 -36.0915 -36.0915 -35.8115 -35.8115 -35.8078 -35.8078 -35.8025 -35.8025 -35.7990 -35.7990 -7.9037 -7.9037 -7.9009 -7.9009 -7.4525 -7.4525 -7.4386 -7.4386 -7.4351 -7.4351 0.4943 0.4943 2.3587 2.3587 4.8317 4.8317 4.8661 4.8661 6.7214 6.7214 6.9357 6.9357 13.1621 13.1621 13.2349 13.2349 k = 0.4688-0.2706 0.3827 ( 8424 PWs) bands (ev): -69.1394 -69.1394 -69.1387 -69.1387 -39.9441 -39.9441 -36.0949 -36.0949 -36.0915 -36.0915 -35.8115 -35.8115 -35.8079 -35.8079 -35.8024 -35.8024 -35.7990 -35.7990 -7.9037 -7.9037 -7.9008 -7.9008 -7.4525 -7.4525 -7.4386 -7.4386 -7.4350 -7.4350 0.5452 0.5452 2.2930 2.2930 4.8218 4.8218 4.8561 4.8561 6.7104 6.7104 6.9259 6.9259 13.2039 13.2039 13.2774 13.2774 k = 0.4792-0.2766 0.3912 ( 8432 PWs) bands (ev): -69.1394 -69.1394 -69.1387 -69.1387 -39.9441 -39.9441 -36.0949 -36.0949 -36.0916 -36.0916 -35.8115 -35.8115 -35.8079 -35.8079 -35.8024 -35.8024 -35.7990 -35.7990 -7.9037 -7.9037 -7.9008 -7.9008 -7.4525 -7.4525 -7.4386 -7.4386 -7.4350 -7.4350 0.5842 0.5842 2.2436 2.2436 4.8147 4.8147 4.8490 4.8490 6.7026 6.7026 6.9188 6.9188 13.2350 13.2350 13.3091 13.3091 k = 0.4896-0.2827 0.3997 ( 8448 PWs) bands (ev): -69.1394 -69.1394 -69.1387 -69.1387 -39.9441 -39.9441 -36.0949 -36.0949 -36.0916 -36.0916 -35.8115 -35.8115 -35.8079 -35.8079 -35.8023 -35.8023 -35.7990 -35.7990 -7.9037 -7.9037 -7.9008 -7.9008 -7.4524 -7.4524 -7.4386 -7.4386 -7.4350 -7.4350 0.6088 0.6088 2.2127 2.2127 4.8105 4.8105 4.8448 4.8448 6.6979 6.6979 6.9145 6.9145 13.2543 13.2543 13.3287 13.3287 k = 0.5000-0.2887 0.4082 ( 8480 PWs) bands (ev): -69.1394 -69.1394 -69.1387 -69.1387 -39.9441 -39.9441 -36.0949 -36.0949 -36.0916 -36.0916 -35.8115 -35.8115 -35.8079 -35.8079 -35.8023 -35.8023 -35.7990 -35.7990 -7.9037 -7.9037 -7.9008 -7.9008 -7.4524 -7.4524 -7.4386 -7.4386 -7.4350 -7.4350 0.6172 0.6172 2.2022 2.2022 4.8091 4.8091 4.8434 4.8434 6.6963 6.6963 6.9131 6.9131 13.2608 13.2608 13.3354 13.3354 k = 0.5000-0.2887 0.4082 ( 8480 PWs) bands (ev): -69.1394 -69.1394 -69.1387 -69.1387 -39.9441 -39.9441 -36.0949 -36.0949 -36.0916 -36.0916 -35.8115 -35.8115 -35.8079 -35.8079 -35.8023 -35.8023 -35.7990 -35.7990 -7.9037 -7.9037 -7.9008 -7.9008 -7.4524 -7.4524 -7.4386 -7.4386 -7.4350 -7.4350 0.6172 0.6172 2.2022 2.2022 4.8091 4.8091 4.8434 4.8434 6.6963 6.6963 6.9131 6.9131 13.2608 13.2608 13.3354 13.3354 k = 0.5000-0.2766 0.4168 ( 8452 PWs) bands (ev): -69.1394 -69.1394 -69.1387 -69.1387 -39.9441 -39.9441 -36.0949 -36.0949 -36.0916 -36.0916 -35.8115 -35.8115 -35.8079 -35.8079 -35.8023 -35.8023 -35.7990 -35.7990 -7.9037 -7.9037 -7.9008 -7.9008 -7.4524 -7.4524 -7.4386 -7.4386 -7.4350 -7.4350 0.6174 0.6174 2.2037 2.2037 4.8027 4.8027 4.8371 4.8371 6.7038 6.7038 6.9244 6.9244 13.2514 13.2514 13.3282 13.3282 k = 0.5000-0.2646 0.4253 ( 8430 PWs) bands (ev): -69.1394 -69.1394 -69.1387 -69.1387 -39.9441 -39.9441 -36.0949 -36.0949 -36.0916 -36.0916 -35.8114 -35.8114 -35.8079 -35.8079 -35.8023 -35.8023 -35.7990 -35.7990 -7.9037 -7.9037 -7.9008 -7.9008 -7.4524 -7.4524 -7.4385 -7.4385 -7.4350 -7.4350 0.6178 0.6178 2.2083 2.2083 4.7823 4.7823 4.8205 4.8205 6.7262 6.7262 6.9578 6.9578 13.2125 13.2125 13.3188 13.3188 k = 0.5000-0.2526 0.4338 ( 8426 PWs) bands (ev): -69.1394 -69.1394 -69.1387 -69.1387 -39.9441 -39.9441 -36.0949 -36.0949 -36.0916 -36.0916 -35.8114 -35.8114 -35.8080 -35.8080 -35.8023 -35.8023 -35.7990 -35.7990 -7.9037 -7.9037 -7.9008 -7.9008 -7.4524 -7.4524 -7.4385 -7.4385 -7.4350 -7.4350 0.6186 0.6186 2.2159 2.2159 4.7460 4.7460 4.7975 4.7975 6.7628 6.7628 7.0117 7.0117 13.1358 13.1358 13.3188 13.3188 k = 0.5000-0.2406 0.4423 ( 8428 PWs) bands (ev): -69.1393 -69.1393 -69.1387 -69.1387 -39.9441 -39.9441 -36.0948 -36.0948 -36.0916 -36.0916 -35.8114 -35.8114 -35.8080 -35.8080 -35.8023 -35.8023 -35.7991 -35.7991 -7.9037 -7.9037 -7.9008 -7.9008 -7.4524 -7.4524 -7.4385 -7.4385 -7.4351 -7.4351 0.6196 0.6196 2.2265 2.2265 4.6950 4.6950 4.7699 4.7699 6.8127 6.8127 7.0840 7.0840 13.0285 13.0285 13.3259 13.3259 k = 0.5000-0.2285 0.4508 ( 8424 PWs) bands (ev): -69.1393 -69.1393 -69.1387 -69.1387 -39.9441 -39.9441 -36.0948 -36.0948 -36.0917 -36.0917 -35.8113 -35.8113 -35.8080 -35.8080 -35.8023 -35.8023 -35.7991 -35.7991 -7.9036 -7.9036 -7.9008 -7.9008 -7.4524 -7.4524 -7.4385 -7.4385 -7.4351 -7.4351 0.6209 0.6209 2.2402 2.2402 4.6323 4.6323 4.7382 4.7382 6.8748 6.8748 7.1723 7.1723 12.8981 12.8981 13.3376 13.3376 k = 0.5000-0.2165 0.4593 ( 8428 PWs) bands (ev): -69.1393 -69.1393 -69.1388 -69.1388 -39.9441 -39.9441 -36.0948 -36.0948 -36.0917 -36.0917 -35.8113 -35.8113 -35.8080 -35.8080 -35.8023 -35.8023 -35.7992 -35.7992 -7.9036 -7.9036 -7.9009 -7.9009 -7.4523 -7.4523 -7.4385 -7.4385 -7.4352 -7.4352 0.6225 0.6225 2.2569 2.2569 4.5607 4.5607 4.7031 4.7031 6.9480 6.9480 7.2745 7.2745 12.7502 12.7502 13.3529 13.3529 k = 0.5000-0.2045 0.4678 ( 8424 PWs) bands (ev): -69.1393 -69.1393 -69.1388 -69.1388 -39.9441 -39.9441 -36.0947 -36.0947 -36.0917 -36.0917 -35.8112 -35.8112 -35.8080 -35.8080 -35.8023 -35.8023 -35.7993 -35.7993 -7.9036 -7.9036 -7.9009 -7.9009 -7.4523 -7.4523 -7.4385 -7.4385 -7.4353 -7.4353 0.6243 0.6243 2.2766 2.2766 4.4824 4.4824 4.6655 4.6655 7.0310 7.0310 7.3884 7.3884 12.5892 12.5892 13.3713 13.3713 k = 0.5000-0.1925 0.4763 ( 8428 PWs) bands (ev): -69.1393 -69.1393 -69.1388 -69.1388 -39.9441 -39.9441 -36.0947 -36.0947 -36.0918 -36.0918 -35.8111 -35.8111 -35.8080 -35.8080 -35.8022 -35.8022 -35.7994 -35.7994 -7.9036 -7.9036 -7.9009 -7.9009 -7.4522 -7.4522 -7.4385 -7.4385 -7.4354 -7.4354 0.6262 0.6262 2.2993 2.2993 4.3994 4.3994 4.6261 4.6261 7.1229 7.1229 7.5123 7.5123 12.4186 12.4186 13.3926 13.3926 k = 0.5000-0.1804 0.4848 ( 8426 PWs) bands (ev): -69.1393 -69.1393 -69.1388 -69.1388 -39.9441 -39.9441 -36.0946 -36.0946 -36.0919 -36.0919 -35.8110 -35.8110 -35.8081 -35.8081 -35.8022 -35.8022 -35.7995 -35.7995 -7.9035 -7.9035 -7.9010 -7.9010 -7.4522 -7.4522 -7.4384 -7.4384 -7.4355 -7.4355 0.6284 0.6284 2.3250 2.3250 4.3131 4.3131 4.5860 4.5860 7.2228 7.2228 7.6448 7.6448 12.2411 12.2411 13.4000 13.4000 k = 0.5000-0.1684 0.4933 ( 8434 PWs) bands (ev): -69.1393 -69.1393 -69.1388 -69.1388 -39.9441 -39.9441 -36.0946 -36.0946 -36.0919 -36.0919 -35.8109 -35.8109 -35.8081 -35.8081 -35.8022 -35.8022 -35.7996 -35.7996 -7.9035 -7.9035 -7.9010 -7.9010 -7.4522 -7.4522 -7.4384 -7.4384 -7.4356 -7.4356 0.6306 0.6306 2.3538 2.3538 4.2246 4.2246 4.5457 4.5457 7.3297 7.3297 7.7848 7.7848 12.0587 12.0587 13.1899 13.1899 k = 0.5000-0.1564 0.5018 ( 8448 PWs) bands (ev): -69.1393 -69.1393 -69.1388 -69.1388 -39.9441 -39.9441 -36.0945 -36.0945 -36.0920 -36.0920 -35.8108 -35.8108 -35.8081 -35.8081 -35.8022 -35.8022 -35.7997 -35.7997 -7.9034 -7.9034 -7.9010 -7.9010 -7.4521 -7.4521 -7.4384 -7.4384 -7.4357 -7.4357 0.6330 0.6330 2.3855 2.3855 4.1349 4.1349 4.5062 4.5062 7.4429 7.4429 7.9314 7.9314 11.8731 11.8731 12.9710 12.9710 k = 0.5000-0.1443 0.5103 ( 8446 PWs) bands (ev): -69.1393 -69.1393 -69.1388 -69.1388 -39.9441 -39.9441 -36.0944 -36.0944 -36.0921 -36.0921 -35.8107 -35.8107 -35.8082 -35.8082 -35.8021 -35.8021 -35.7998 -35.7998 -7.9034 -7.9034 -7.9011 -7.9011 -7.4520 -7.4520 -7.4383 -7.4383 -7.4358 -7.4358 0.6354 0.6354 2.4201 2.4201 4.0447 4.0447 4.4677 4.4677 7.5619 7.5619 8.0838 8.0838 11.6857 11.6857 12.7520 12.7520 k = 0.5000-0.1323 0.5188 ( 8452 PWs) bands (ev): -69.1393 -69.1393 -69.1388 -69.1388 -39.9441 -39.9441 -36.0943 -36.0943 -36.0921 -36.0921 -35.8106 -35.8106 -35.8082 -35.8082 -35.8021 -35.8021 -35.7999 -35.7999 -7.9034 -7.9034 -7.9011 -7.9011 -7.4520 -7.4520 -7.4383 -7.4383 -7.4359 -7.4359 0.6378 0.6378 2.4577 2.4577 3.9546 3.9546 4.4310 4.4310 7.6860 7.6860 8.2415 8.2415 11.4976 11.4976 12.5335 12.5335 k = 0.5000-0.1203 0.5273 ( 8448 PWs) bands (ev): -69.1392 -69.1392 -69.1388 -69.1388 -39.9441 -39.9441 -36.0942 -36.0942 -36.0922 -36.0922 -35.8104 -35.8104 -35.8083 -35.8083 -35.8021 -35.8021 -35.8000 -35.8000 -7.9033 -7.9033 -7.9012 -7.9012 -7.4519 -7.4519 -7.4382 -7.4382 -7.4360 -7.4360 0.6402 0.6402 2.4983 2.4983 3.8650 3.8650 4.3964 4.3964 7.8147 7.8147 8.4039 8.4039 11.3097 11.3097 12.3158 12.3158 k = 0.5000-0.1083 0.5358 ( 8454 PWs) bands (ev): -69.1392 -69.1392 -69.1389 -69.1389 -39.9441 -39.9441 -36.0941 -36.0941 -36.0923 -36.0923 -35.8103 -35.8103 -35.8083 -35.8083 -35.8020 -35.8020 -35.8002 -35.8002 -7.9033 -7.9033 -7.9012 -7.9012 -7.4519 -7.4519 -7.4382 -7.4382 -7.4362 -7.4362 0.6425 0.6425 2.5417 2.5417 3.7765 3.7765 4.3641 4.3641 7.9474 7.9474 8.5708 8.5708 11.1228 11.1228 12.0992 12.0992 k = 0.5000-0.0962 0.5443 ( 8450 PWs) bands (ev): -69.1392 -69.1392 -69.1389 -69.1389 -39.9441 -39.9441 -36.0941 -36.0941 -36.0924 -36.0924 -35.8102 -35.8102 -35.8084 -35.8084 -35.8019 -35.8019 -35.8003 -35.8003 -7.9032 -7.9032 -7.9013 -7.9013 -7.4518 -7.4518 -7.4381 -7.4381 -7.4363 -7.4363 0.6447 0.6447 2.5880 2.5880 3.6892 3.6892 4.3346 4.3346 8.0835 8.0835 8.7417 8.7417 10.9378 10.9378 11.8839 11.8839 k = 0.5000-0.0842 0.5528 ( 8450 PWs) bands (ev): -69.1392 -69.1392 -69.1389 -69.1389 -39.9441 -39.9441 -36.0940 -36.0940 -36.0925 -36.0925 -35.8100 -35.8100 -35.8085 -35.8085 -35.8019 -35.8019 -35.8004 -35.8004 -7.9032 -7.9032 -7.9013 -7.9013 -7.4518 -7.4518 -7.4381 -7.4381 -7.4364 -7.4364 0.6467 0.6467 2.6372 2.6372 3.6034 3.6034 4.3080 4.3080 8.2224 8.2224 8.9163 8.9163 10.7555 10.7555 11.6702 11.6702 k = 0.5000-0.0722 0.5613 ( 8456 PWs) bands (ev): -69.1392 -69.1392 -69.1389 -69.1389 -39.9441 -39.9441 -36.0939 -36.0939 -36.0926 -36.0926 -35.8099 -35.8099 -35.8085 -35.8085 -35.8018 -35.8018 -35.8005 -35.8005 -7.9031 -7.9031 -7.9014 -7.9014 -7.4518 -7.4518 -7.4380 -7.4380 -7.4366 -7.4366 0.6486 0.6486 2.6892 2.6892 3.5194 3.5194 4.2846 4.2846 8.3630 8.3630 9.0946 9.0946 10.5771 10.5771 11.4582 11.4582 k = 0.5000-0.0601 0.5698 ( 8460 PWs) bands (ev): -69.1391 -69.1391 -69.1389 -69.1389 -39.9441 -39.9441 -36.0938 -36.0938 -36.0927 -36.0927 -35.8098 -35.8098 -35.8086 -35.8086 -35.8017 -35.8017 -35.8007 -35.8007 -7.9031 -7.9031 -7.9014 -7.9014 -7.4517 -7.4517 -7.4379 -7.4379 -7.4367 -7.4367 0.6502 0.6502 2.7440 2.7440 3.4373 3.4373 4.2646 4.2646 8.5040 8.5040 9.2762 9.2762 10.4040 10.4040 11.2481 11.2481 k = 0.5000-0.0481 0.5784 ( 8458 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0936 -36.0936 -36.0928 -36.0928 -35.8096 -35.8096 -35.8087 -35.8087 -35.8017 -35.8017 -35.8008 -35.8008 -7.9031 -7.9031 -7.9014 -7.9014 -7.4517 -7.4517 -7.4378 -7.4378 -7.4368 -7.4368 0.6516 0.6516 2.8016 2.8016 3.3572 3.3572 4.2480 4.2480 8.6430 8.6430 9.4610 9.4610 10.2386 10.2386 11.0400 11.0400 k = 0.5000-0.0361 0.5869 ( 8448 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0935 -36.0935 -36.0929 -36.0929 -35.8095 -35.8095 -35.8088 -35.8088 -35.8016 -35.8016 -35.8009 -35.8009 -7.9030 -7.9030 -7.9015 -7.9015 -7.4517 -7.4517 -7.4378 -7.4378 -7.4369 -7.4369 0.6527 0.6527 2.8618 2.8618 3.2794 3.2794 4.2349 4.2349 8.7760 8.7760 9.6488 9.6488 10.0852 10.0852 10.8341 10.8341 k = 0.5000-0.0241 0.5954 ( 8436 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0934 -36.0934 -36.0930 -36.0930 -35.8094 -35.8094 -35.8089 -35.8089 -35.8015 -35.8015 -35.8011 -35.8011 -7.9030 -7.9030 -7.9015 -7.9015 -7.4516 -7.4516 -7.4377 -7.4377 -7.4370 -7.4370 0.6535 0.6535 2.9246 2.9246 3.2040 3.2040 4.2256 4.2256 8.8947 8.8947 9.8388 9.8388 9.9526 9.9526 10.6304 10.6304 k = 0.5000-0.0120 0.6039 ( 8432 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0933 -36.0933 -36.0931 -36.0931 -35.8093 -35.8093 -35.8090 -35.8090 -35.8014 -35.8014 -35.8012 -35.8012 -7.9030 -7.9030 -7.9015 -7.9015 -7.4516 -7.4516 -7.4376 -7.4376 -7.4371 -7.4371 0.6540 0.6540 2.9897 2.9897 3.1314 3.1314 4.2199 4.2199 8.9833 8.9833 9.8532 9.8532 10.0343 10.0343 10.4291 10.4291 k = 0.5000-0.0000 0.6124 ( 8432 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0933 -36.0933 -36.0932 -36.0932 -35.8092 -35.8092 -35.8090 -35.8090 -35.8013 -35.8013 -35.8013 -35.8013 -7.9030 -7.9030 -7.9015 -7.9015 -7.4516 -7.4516 -7.4376 -7.4376 -7.4371 -7.4371 0.6541 0.6541 3.0456 3.0456 3.0729 3.0729 4.2180 4.2180 9.0177 9.0177 9.8162 9.8162 10.2261 10.2261 10.2343 10.2343 k = 0.5000-0.0000 0.6124 ( 8432 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0933 -36.0933 -36.0932 -36.0932 -35.8092 -35.8092 -35.8090 -35.8090 -35.8013 -35.8013 -35.8013 -35.8013 -7.9030 -7.9030 -7.9015 -7.9015 -7.4516 -7.4516 -7.4376 -7.4376 -7.4371 -7.4371 0.6541 0.6541 3.0456 3.0456 3.0729 3.0729 4.2180 4.2180 9.0177 9.0177 9.8162 9.8162 10.2261 10.2261 10.2343 10.2343 k = 0.4926 0.0127 0.6124 ( 8432 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0933 -36.0933 -36.0931 -36.0931 -35.8092 -35.8092 -35.8090 -35.8090 -35.8014 -35.8014 -35.8012 -35.8012 -7.9030 -7.9030 -7.9015 -7.9015 -7.4516 -7.4516 -7.4376 -7.4376 -7.4371 -7.4371 0.6527 0.6527 3.0097 3.0097 3.1102 3.1102 4.2227 4.2227 8.9956 8.9956 9.8250 9.8250 10.1080 10.1080 10.3710 10.3710 k = 0.4853 0.0255 0.6124 ( 8432 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0934 -36.0934 -36.0931 -36.0931 -35.8093 -35.8093 -35.8089 -35.8089 -35.8014 -35.8014 -35.8011 -35.8011 -7.9030 -7.9030 -7.9015 -7.9015 -7.4516 -7.4516 -7.4377 -7.4377 -7.4370 -7.4370 0.6487 0.6487 2.9656 2.9656 3.1570 3.1570 4.2377 4.2377 8.9286 8.9286 9.8383 9.8383 10.0343 10.0343 10.5141 10.5141 k = 0.4779 0.0382 0.6124 ( 8438 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0934 -36.0934 -36.0930 -36.0930 -35.8094 -35.8094 -35.8089 -35.8089 -35.8015 -35.8015 -35.8011 -35.8011 -7.9030 -7.9030 -7.9015 -7.9015 -7.4517 -7.4517 -7.4378 -7.4378 -7.4370 -7.4370 0.6427 0.6427 2.9238 2.9238 3.2010 3.2010 4.2641 4.2641 8.8225 8.8225 9.8203 9.8203 10.0393 10.0393 10.6596 10.6596 k = 0.4706 0.0509 0.6124 ( 8444 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0935 -36.0935 -36.0929 -36.0929 -35.8094 -35.8094 -35.8088 -35.8088 -35.8016 -35.8016 -35.8010 -35.8010 -7.9030 -7.9030 -7.9015 -7.9015 -7.4517 -7.4517 -7.4379 -7.4379 -7.4369 -7.4369 0.6353 0.6353 2.8846 2.8846 3.2402 3.2402 4.3027 4.3027 8.6882 8.6882 9.7766 9.7766 10.1064 10.1064 10.8074 10.8074 k = 0.4632 0.0637 0.6124 ( 8455 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0936 -36.0936 -36.0929 -36.0929 -35.8095 -35.8095 -35.8087 -35.8087 -35.8016 -35.8016 -35.8010 -35.8010 -7.9031 -7.9031 -7.9015 -7.9015 -7.4517 -7.4517 -7.4380 -7.4380 -7.4368 -7.4368 0.6268 0.6268 2.8482 2.8482 3.2736 3.2736 4.3539 4.3539 8.5360 8.5360 9.7321 9.7321 10.2008 10.2008 10.9573 10.9573 k = 0.4559 0.0764 0.6124 ( 8447 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0936 -36.0936 -36.0928 -36.0928 -35.8095 -35.8095 -35.8087 -35.8087 -35.8017 -35.8017 -35.8009 -35.8009 -7.9031 -7.9031 -7.9015 -7.9015 -7.4517 -7.4517 -7.4380 -7.4380 -7.4367 -7.4367 0.6177 0.6177 2.8146 2.8146 3.3007 3.3007 4.4170 4.4170 8.3739 8.3739 9.6929 9.6929 10.3090 10.3090 11.1092 11.1092 k = 0.4485 0.0891 0.6124 ( 8448 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0937 -36.0937 -36.0928 -36.0928 -35.8096 -35.8096 -35.8086 -35.8086 -35.8017 -35.8017 -35.8009 -35.8009 -7.9031 -7.9031 -7.9014 -7.9014 -7.4517 -7.4517 -7.4381 -7.4381 -7.4366 -7.4366 0.6084 0.6084 2.7839 2.7839 3.3217 3.3217 4.4910 4.4910 8.2072 8.2072 9.6591 9.6591 10.4254 10.4254 11.2627 11.2627 k = 0.4412 0.1019 0.6124 ( 8453 PWs) bands (ev): -69.1391 -69.1391 -69.1389 -69.1389 -39.9441 -39.9441 -36.0937 -36.0937 -36.0927 -36.0927 -35.8096 -35.8096 -35.8086 -35.8086 -35.8018 -35.8018 -35.8008 -35.8008 -7.9031 -7.9031 -7.9014 -7.9014 -7.4517 -7.4517 -7.4382 -7.4382 -7.4365 -7.4365 0.5991 0.5991 2.7560 2.7560 3.3373 3.3373 4.5742 4.5742 8.0400 8.0400 9.6302 9.6302 10.5474 10.5474 11.4177 11.4177 k = 0.4338 0.1146 0.6124 ( 8456 PWs) bands (ev): -69.1391 -69.1391 -69.1389 -69.1389 -39.9441 -39.9441 -36.0937 -36.0937 -36.0927 -36.0927 -35.8097 -35.8097 -35.8085 -35.8085 -35.8018 -35.8018 -35.8008 -35.8008 -7.9032 -7.9032 -7.9014 -7.9014 -7.4518 -7.4518 -7.4383 -7.4383 -7.4364 -7.4364 0.5902 0.5902 2.7311 2.7311 3.3484 3.3484 4.6643 4.6643 7.8753 7.8753 9.6053 9.6053 10.6731 10.6731 11.5738 11.5738 k = 0.4265 0.1274 0.6124 ( 8446 PWs) bands (ev): -69.1391 -69.1391 -69.1389 -69.1389 -39.9441 -39.9441 -36.0938 -36.0938 -36.0926 -36.0926 -35.8097 -35.8097 -35.8085 -35.8085 -35.8019 -35.8019 -35.8008 -35.8008 -7.9032 -7.9032 -7.9014 -7.9014 -7.4518 -7.4518 -7.4383 -7.4383 -7.4363 -7.4363 0.5819 0.5819 2.7090 2.7090 3.3560 3.3560 4.7588 4.7588 7.7158 7.7158 9.5841 9.5841 10.8010 10.8010 11.7302 11.7302 k = 0.4191 0.1401 0.6124 ( 8455 PWs) bands (ev): -69.1392 -69.1392 -69.1389 -69.1389 -39.9441 -39.9441 -36.0938 -36.0938 -36.0926 -36.0926 -35.8097 -35.8097 -35.8084 -35.8084 -35.8019 -35.8019 -35.8007 -35.8007 -7.9032 -7.9032 -7.9014 -7.9014 -7.4518 -7.4518 -7.4384 -7.4384 -7.4363 -7.4363 0.5743 0.5743 2.6899 2.6899 3.3609 3.3609 4.8550 4.8550 7.5641 7.5641 9.5662 9.5662 10.9299 10.9299 11.8862 11.8862 k = 0.4118 0.1528 0.6124 ( 8453 PWs) bands (ev): -69.1392 -69.1392 -69.1389 -69.1389 -39.9441 -39.9441 -36.0938 -36.0938 -36.0926 -36.0926 -35.8098 -35.8098 -35.8084 -35.8084 -35.8019 -35.8019 -35.8007 -35.8007 -7.9032 -7.9032 -7.9014 -7.9014 -7.4518 -7.4518 -7.4384 -7.4384 -7.4362 -7.4362 0.5676 0.5676 2.6737 2.6737 3.3640 3.3640 4.9494 4.9494 7.4233 7.4233 9.5513 9.5513 11.0578 11.0578 12.0403 12.0403 k = 0.4044 0.1656 0.6124 ( 8459 PWs) bands (ev): -69.1392 -69.1392 -69.1389 -69.1389 -39.9441 -39.9441 -36.0939 -36.0939 -36.0926 -36.0926 -35.8098 -35.8098 -35.8084 -35.8084 -35.8020 -35.8020 -35.8007 -35.8007 -7.9032 -7.9032 -7.9014 -7.9014 -7.4518 -7.4518 -7.4385 -7.4385 -7.4362 -7.4362 0.5620 0.5620 2.6604 2.6604 3.3657 3.3657 5.0381 5.0381 7.2972 7.2972 9.5394 9.5394 11.1823 11.1823 12.1901 12.1901 k = 0.3971 0.1783 0.6124 ( 8459 PWs) bands (ev): -69.1392 -69.1392 -69.1389 -69.1389 -39.9441 -39.9441 -36.0939 -36.0939 -36.0925 -36.0925 -35.8098 -35.8098 -35.8083 -35.8083 -35.8020 -35.8020 -35.8007 -35.8007 -7.9033 -7.9033 -7.9014 -7.9014 -7.4518 -7.4518 -7.4385 -7.4385 -7.4361 -7.4361 0.5576 0.5576 2.6501 2.6501 3.3666 3.3666 5.1163 5.1163 7.1901 7.1901 9.5301 9.5301 11.2992 11.2992 12.3310 12.3310 k = 0.3897 0.1910 0.6124 ( 8460 PWs) bands (ev): -69.1392 -69.1392 -69.1389 -69.1389 -39.9441 -39.9441 -36.0939 -36.0939 -36.0925 -36.0925 -35.8098 -35.8098 -35.8083 -35.8083 -35.8020 -35.8020 -35.8007 -35.8007 -7.9033 -7.9033 -7.9014 -7.9014 -7.4519 -7.4519 -7.4385 -7.4385 -7.4361 -7.4361 0.5543 0.5543 2.6427 2.6427 3.3671 3.3671 5.1784 5.1784 7.1076 7.1076 9.5236 9.5236 11.4009 11.4009 12.4023 12.4023 k = 0.3824 0.2038 0.6124 ( 8450 PWs) bands (ev): -69.1392 -69.1392 -69.1389 -69.1389 -39.9441 -39.9441 -36.0939 -36.0939 -36.0925 -36.0925 -35.8098 -35.8098 -35.8083 -35.8083 -35.8020 -35.8020 -35.8007 -35.8007 -7.9033 -7.9033 -7.9014 -7.9014 -7.4519 -7.4519 -7.4385 -7.4385 -7.4361 -7.4361 0.5523 0.5523 2.6383 2.6383 3.3672 3.3672 5.2187 5.2187 7.0550 7.0550 9.5197 9.5197 11.4744 11.4744 12.3269 12.3269 k = 0.3750 0.2165 0.6124 ( 8428 PWs) bands (ev): -69.1392 -69.1392 -69.1389 -69.1389 -39.9441 -39.9441 -36.0939 -36.0939 -36.0925 -36.0925 -35.8098 -35.8098 -35.8083 -35.8083 -35.8020 -35.8020 -35.8007 -35.8007 -7.9033 -7.9033 -7.9014 -7.9014 -7.4519 -7.4519 -7.4385 -7.4385 -7.4361 -7.4361 0.5517 0.5517 2.6368 2.6368 3.3673 3.3673 5.2327 5.2327 7.0369 7.0369 9.5184 9.5184 11.5021 11.5021 12.2983 12.2983 k = 0.3750 0.2165 0.6124 ( 8428 PWs) bands (ev): -69.1392 -69.1392 -69.1389 -69.1389 -39.9441 -39.9441 -36.0939 -36.0939 -36.0925 -36.0925 -35.8098 -35.8098 -35.8083 -35.8083 -35.8020 -35.8020 -35.8007 -35.8007 -7.9033 -7.9033 -7.9014 -7.9014 -7.4519 -7.4519 -7.4385 -7.4385 -7.4361 -7.4361 0.5517 0.5517 2.6368 2.6368 3.3673 3.3673 5.2327 5.2327 7.0369 7.0369 9.5184 9.5184 11.5021 11.5021 12.2983 12.2983 k = 0.3676 0.2123 0.6004 ( 8460 PWs) bands (ev): -69.1392 -69.1392 -69.1389 -69.1389 -39.9441 -39.9441 -36.0938 -36.0938 -36.0926 -36.0926 -35.8096 -35.8096 -35.8084 -35.8084 -35.8020 -35.8020 -35.8009 -35.8009 -7.9033 -7.9033 -7.9014 -7.9014 -7.4518 -7.4518 -7.4386 -7.4386 -7.4361 -7.4361 0.5291 0.5291 2.6889 2.6889 3.3049 3.3049 5.2815 5.2815 7.0688 7.0688 9.7415 9.7415 11.3676 11.3676 12.2151 12.2151 k = 0.3603 0.2080 0.5884 ( 8466 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0937 -36.0937 -36.0927 -36.0927 -35.8094 -35.8094 -35.8084 -35.8084 -35.8019 -35.8019 -35.8011 -35.8011 -7.9032 -7.9032 -7.9015 -7.9015 -7.4518 -7.4518 -7.4387 -7.4387 -7.4362 -7.4362 0.5022 0.5022 2.7439 2.7439 3.2514 3.2514 5.3330 5.3330 7.1024 7.1024 9.9671 9.9671 11.2345 11.2345 12.1332 12.1332 k = 0.3529 0.2038 0.5764 ( 8462 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0935 -36.0935 -36.0929 -36.0929 -35.8092 -35.8092 -35.8084 -35.8084 -35.8019 -35.8019 -35.8013 -35.8013 -7.9032 -7.9032 -7.9015 -7.9015 -7.4518 -7.4518 -7.4387 -7.4387 -7.4362 -7.4362 0.4709 0.4709 2.8018 2.8018 3.2070 3.2070 5.3871 5.3871 7.1377 7.1377 10.1944 10.1944 11.1030 11.1030 12.0533 12.0533 k = 0.3456 0.1995 0.5643 ( 8466 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0934 -36.0934 -36.0930 -36.0930 -35.8090 -35.8090 -35.8085 -35.8085 -35.8019 -35.8019 -35.8015 -35.8015 -7.9032 -7.9032 -7.9016 -7.9016 -7.4518 -7.4518 -7.4388 -7.4388 -7.4362 -7.4362 0.4351 0.4351 2.8624 2.8624 3.1719 3.1719 5.4438 5.4438 7.1747 7.1747 10.4224 10.4224 10.9735 10.9735 11.9765 11.9765 k = 0.3382 0.1953 0.5523 ( 8478 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0933 -36.0933 -36.0931 -36.0931 -35.8088 -35.8088 -35.8085 -35.8085 -35.8018 -35.8018 -35.8017 -35.8017 -7.9032 -7.9032 -7.9016 -7.9016 -7.4518 -7.4518 -7.4389 -7.4389 -7.4362 -7.4362 0.3946 0.3946 2.9258 2.9258 3.1463 3.1463 5.5031 5.5031 7.2133 7.2133 10.6489 10.6489 10.8462 10.8462 11.9050 11.9050 k = 0.3309 0.1910 0.5403 ( 8468 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0932 -36.0932 -36.0931 -36.0931 -35.8086 -35.8086 -35.8085 -35.8085 -35.8019 -35.8019 -35.8018 -35.8018 -7.9032 -7.9032 -7.9017 -7.9017 -7.4518 -7.4518 -7.4390 -7.4390 -7.4362 -7.4362 0.3498 0.3498 2.9917 2.9917 3.1303 3.1303 5.5650 5.5650 7.2536 7.2536 10.7201 10.7201 10.8707 10.8707 11.8175 11.8175 k = 0.3235 0.1868 0.5283 ( 8470 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0934 -36.0934 -36.0930 -36.0930 -35.8087 -35.8087 -35.8083 -35.8083 -35.8022 -35.8022 -35.8017 -35.8017 -7.9032 -7.9032 -7.9017 -7.9017 -7.4518 -7.4518 -7.4391 -7.4391 -7.4362 -7.4362 0.3007 0.3007 3.0596 3.0596 3.1244 3.1244 5.6293 5.6293 7.2955 7.2955 10.5975 10.5975 11.0753 11.0753 11.6997 11.6997 k = 0.3162 0.1825 0.5163 ( 8452 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0935 -36.0935 -36.0928 -36.0928 -35.8087 -35.8087 -35.8081 -35.8081 -35.8024 -35.8024 -35.8017 -35.8017 -7.9032 -7.9032 -7.9018 -7.9018 -7.4518 -7.4518 -7.4392 -7.4392 -7.4362 -7.4362 0.2477 0.2477 3.1161 3.1161 3.1417 3.1417 5.6962 5.6962 7.3390 7.3390 10.4771 10.4771 11.2376 11.2376 11.5845 11.5845 k = 0.3088 0.1783 0.5043 ( 8452 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0936 -36.0936 -36.0927 -36.0927 -35.8087 -35.8087 -35.8078 -35.8078 -35.8026 -35.8026 -35.8016 -35.8016 -7.9033 -7.9033 -7.9018 -7.9018 -7.4519 -7.4519 -7.4393 -7.4393 -7.4362 -7.4362 0.1912 0.1912 3.1327 3.1327 3.2101 3.2101 5.7655 5.7655 7.3840 7.3840 10.3595 10.3595 11.3174 11.3174 11.4720 11.4720 k = 0.3015 0.1741 0.4923 ( 8444 PWs) bands (ev): -69.1392 -69.1392 -69.1389 -69.1389 -39.9441 -39.9441 -36.0938 -36.0938 -36.0926 -36.0926 -35.8088 -35.8088 -35.8076 -35.8076 -35.8029 -35.8029 -35.8016 -35.8016 -7.9033 -7.9033 -7.9019 -7.9019 -7.4519 -7.4519 -7.4394 -7.4394 -7.4362 -7.4362 0.1315 0.1315 3.1524 3.1524 3.2866 3.2866 5.8371 5.8371 7.4306 7.4306 10.2446 10.2446 11.3180 11.3180 11.3624 11.3624 k = 0.2941 0.1698 0.4803 ( 8440 PWs) bands (ev): -69.1392 -69.1392 -69.1389 -69.1389 -39.9441 -39.9441 -36.0939 -36.0939 -36.0924 -36.0924 -35.8088 -35.8088 -35.8073 -35.8073 -35.8031 -35.8031 -35.8015 -35.8015 -7.9033 -7.9033 -7.9019 -7.9019 -7.4520 -7.4520 -7.4395 -7.4395 -7.4361 -7.4361 0.0692 0.0692 3.1795 3.1795 3.3662 3.3662 5.9110 5.9110 7.4787 7.4787 10.1326 10.1326 11.2546 11.2546 11.2803 11.2803 k = 0.2868 0.1656 0.4683 ( 8448 PWs) bands (ev): -69.1392 -69.1392 -69.1389 -69.1389 -39.9441 -39.9441 -36.0940 -36.0940 -36.0922 -36.0922 -35.8089 -35.8089 -35.8071 -35.8071 -35.8034 -35.8034 -35.8015 -35.8015 -7.9034 -7.9034 -7.9020 -7.9020 -7.4520 -7.4520 -7.4396 -7.4396 -7.4361 -7.4361 0.0046 0.0046 3.2140 3.2140 3.4485 3.4485 5.9871 5.9871 7.5283 7.5283 10.0237 10.0237 11.1504 11.1504 11.2263 11.2263 k = 0.2794 0.1613 0.4563 ( 8456 PWs) bands (ev): -69.1392 -69.1392 -69.1388 -69.1388 -39.9441 -39.9441 -36.0942 -36.0942 -36.0921 -36.0921 -35.8089 -35.8089 -35.8068 -35.8068 -35.8036 -35.8036 -35.8014 -35.8014 -7.9034 -7.9034 -7.9020 -7.9020 -7.4521 -7.4521 -7.4396 -7.4396 -7.4361 -7.4361 -0.0617 -0.0617 3.2555 3.2555 3.5335 3.5335 6.0653 6.0653 7.5792 7.5792 9.9181 9.9181 11.0486 11.0486 11.1666 11.1666 k = 0.2721 0.1571 0.4443 ( 8450 PWs) bands (ev): -69.1393 -69.1393 -69.1388 -69.1388 -39.9441 -39.9441 -36.0943 -36.0943 -36.0919 -36.0919 -35.8090 -35.8090 -35.8066 -35.8066 -35.8039 -35.8039 -35.8014 -35.8014 -7.9035 -7.9035 -7.9021 -7.9021 -7.4522 -7.4522 -7.4397 -7.4397 -7.4361 -7.4361 -0.1294 -0.1294 3.3036 3.3036 3.6211 3.6211 6.1454 6.1454 7.6315 7.6315 9.8158 9.8158 10.9496 10.9496 11.1048 11.1048 k = 0.2647 0.1528 0.4323 ( 8450 PWs) bands (ev): -69.1393 -69.1393 -69.1388 -69.1388 -39.9441 -39.9441 -36.0945 -36.0945 -36.0918 -36.0918 -35.8090 -35.8090 -35.8063 -35.8063 -35.8041 -35.8041 -35.8013 -35.8013 -7.9035 -7.9035 -7.9021 -7.9021 -7.4523 -7.4523 -7.4398 -7.4398 -7.4362 -7.4362 -0.1980 -0.1980 3.3581 3.3581 3.7112 3.7112 6.2274 6.2274 7.6851 7.6851 9.7171 9.7171 10.8532 10.8532 11.0429 11.0429 k = 0.2574 0.1486 0.4203 ( 8456 PWs) bands (ev): -69.1393 -69.1393 -69.1388 -69.1388 -39.9441 -39.9441 -36.0946 -36.0946 -36.0916 -36.0916 -35.8091 -35.8091 -35.8060 -35.8060 -35.8044 -35.8044 -35.8013 -35.8013 -7.9036 -7.9036 -7.9022 -7.9022 -7.4524 -7.4524 -7.4398 -7.4398 -7.4362 -7.4362 -0.2671 -0.2671 3.4184 3.4184 3.8038 3.8038 6.3111 6.3111 7.7398 7.7398 9.6222 9.6222 10.7595 10.7595 10.9819 10.9819 k = 0.2500 0.1443 0.4082 ( 8452 PWs) bands (ev): -69.1394 -69.1394 -69.1387 -69.1387 -39.9441 -39.9441 -36.0948 -36.0948 -36.0915 -36.0915 -35.8092 -35.8092 -35.8058 -35.8058 -35.8047 -35.8047 -35.8012 -35.8012 -7.9036 -7.9036 -7.9023 -7.9023 -7.4525 -7.4525 -7.4399 -7.4399 -7.4362 -7.4362 -0.3365 -0.3365 3.4844 3.4844 3.8988 3.8988 6.3963 6.3963 7.7956 7.7956 9.5313 9.5313 10.6685 10.6685 10.9223 10.9223 k = 0.2426 0.1401 0.3962 ( 8452 PWs) bands (ev): -69.1394 -69.1394 -69.1387 -69.1387 -39.9441 -39.9441 -36.0949 -36.0949 -36.0913 -36.0913 -35.8092 -35.8092 -35.8055 -35.8055 -35.8049 -35.8049 -35.8012 -35.8012 -7.9037 -7.9037 -7.9023 -7.9023 -7.4526 -7.4526 -7.4399 -7.4399 -7.4362 -7.4362 -0.4057 -0.4057 3.5556 3.5556 3.9962 3.9962 6.4826 6.4826 7.8525 7.8525 9.4446 9.4446 10.5801 10.5801 10.8646 10.8646 k = 0.2353 0.1358 0.3842 ( 8454 PWs) bands (ev): -69.1394 -69.1394 -69.1387 -69.1387 -39.9441 -39.9441 -36.0951 -36.0951 -36.0911 -36.0911 -35.8093 -35.8093 -35.8053 -35.8053 -35.8052 -35.8052 -35.8011 -35.8011 -7.9037 -7.9037 -7.9024 -7.9024 -7.4527 -7.4527 -7.4400 -7.4400 -7.4363 -7.4363 -0.4746 -0.4746 3.6319 3.6319 4.0959 4.0959 6.5699 6.5699 7.9102 7.9102 9.3626 9.3626 10.4945 10.4945 10.8092 10.8092 k = 0.2279 0.1316 0.3722 ( 8444 PWs) bands (ev): -69.1394 -69.1394 -69.1386 -69.1386 -39.9441 -39.9441 -36.0952 -36.0952 -36.0910 -36.0910 -35.8093 -35.8093 -35.8054 -35.8054 -35.8050 -35.8050 -35.8011 -35.8011 -7.9038 -7.9038 -7.9025 -7.9025 -7.4529 -7.4529 -7.4400 -7.4400 -7.4363 -7.4363 -0.5428 -0.5428 3.7131 3.7131 4.1979 4.1979 6.6577 6.6577 7.9686 7.9686 9.2855 9.2855 10.4115 10.4115 10.7562 10.7562 k = 0.2206 0.1274 0.3602 ( 8438 PWs) bands (ev): -69.1395 -69.1395 -69.1386 -69.1386 -39.9441 -39.9441 -36.0954 -36.0954 -36.0908 -36.0908 -35.8094 -35.8094 -35.8057 -35.8057 -35.8047 -35.8047 -35.8010 -35.8010 -7.9039 -7.9039 -7.9025 -7.9025 -7.4530 -7.4530 -7.4400 -7.4400 -7.4364 -7.4364 -0.6102 -0.6102 3.7987 3.7987 4.3020 4.3020 6.7457 6.7457 8.0277 8.0277 9.2139 9.2139 10.3312 10.3312 10.7060 10.7060 k = 0.2132 0.1231 0.3482 ( 8430 PWs) bands (ev): -69.1395 -69.1395 -69.1386 -69.1386 -39.9441 -39.9441 -36.0955 -36.0955 -36.0907 -36.0907 -35.8094 -35.8094 -35.8059 -35.8059 -35.8045 -35.8045 -35.8009 -35.8009 -7.9039 -7.9039 -7.9026 -7.9026 -7.4531 -7.4531 -7.4400 -7.4400 -7.4365 -7.4365 -0.6765 -0.6765 3.8888 3.8888 4.4083 4.4083 6.8331 6.8331 8.0872 8.0872 9.1483 9.1483 10.2536 10.2536 10.6587 10.6587 k = 0.2059 0.1189 0.3362 ( 8438 PWs) bands (ev): -69.1395 -69.1395 -69.1386 -69.1386 -39.9441 -39.9441 -36.0956 -36.0956 -36.0905 -36.0905 -35.8095 -35.8095 -35.8062 -35.8062 -35.8042 -35.8042 -35.8009 -35.8009 -7.9040 -7.9040 -7.9027 -7.9027 -7.4532 -7.4532 -7.4400 -7.4400 -7.4365 -7.4365 -0.7415 -0.7415 3.9831 3.9831 4.5167 4.5167 6.9194 6.9194 8.1468 8.1468 9.0894 9.0894 10.1786 10.1786 10.6143 10.6143 k = 0.1985 0.1146 0.3242 ( 8442 PWs) bands (ev): -69.1396 -69.1396 -69.1385 -69.1385 -39.9441 -39.9441 -36.0958 -36.0958 -36.0904 -36.0904 -35.8095 -35.8095 -35.8064 -35.8064 -35.8040 -35.8040 -35.8008 -35.8008 -7.9040 -7.9040 -7.9028 -7.9028 -7.4534 -7.4534 -7.4400 -7.4400 -7.4366 -7.4366 -0.8052 -0.8052 4.0813 4.0813 4.6270 4.6270 7.0036 7.0036 8.2065 8.2065 9.0382 9.0382 10.1063 10.1063 10.5719 10.5719 k = 0.1912 0.1104 0.3122 ( 8426 PWs) bands (ev): -69.1396 -69.1396 -69.1385 -69.1385 -39.9441 -39.9441 -36.0959 -36.0959 -36.0902 -36.0902 -35.8096 -35.8096 -35.8067 -35.8067 -35.8037 -35.8037 -35.8008 -35.8008 -7.9041 -7.9041 -7.9029 -7.9029 -7.4535 -7.4535 -7.4400 -7.4400 -7.4367 -7.4367 -0.8673 -0.8673 4.1835 4.1835 4.7392 4.7392 7.0848 7.0848 8.2659 8.2659 8.9956 8.9956 10.0366 10.0366 10.5192 10.5192 k = 0.1838 0.1061 0.3002 ( 8434 PWs) bands (ev): -69.1396 -69.1396 -69.1385 -69.1385 -39.9441 -39.9441 -36.0961 -36.0961 -36.0901 -36.0901 -35.8096 -35.8096 -35.8069 -35.8069 -35.8035 -35.8035 -35.8007 -35.8007 -7.9041 -7.9041 -7.9030 -7.9030 -7.4537 -7.4537 -7.4400 -7.4400 -7.4368 -7.4368 -0.9277 -0.9277 4.2894 4.2894 4.8532 4.8532 7.1618 7.1618 8.3247 8.3247 8.9628 8.9628 9.9697 9.9697 10.4418 10.4418 k = 0.1765 0.1019 0.2882 ( 8422 PWs) bands (ev): -69.1396 -69.1396 -69.1384 -69.1384 -39.9441 -39.9441 -36.0962 -36.0962 -36.0899 -36.0899 -35.8097 -35.8097 -35.8072 -35.8072 -35.8032 -35.8032 -35.8007 -35.8007 -7.9042 -7.9042 -7.9031 -7.9031 -7.4538 -7.4538 -7.4400 -7.4400 -7.4369 -7.4369 -0.9864 -0.9864 4.3989 4.3989 4.9689 4.9689 7.2331 7.2331 8.3826 8.3826 8.9412 8.9412 9.9053 9.9053 10.3620 10.3620 k = 0.1691 0.0976 0.2762 ( 8422 PWs) bands (ev): -69.1397 -69.1397 -69.1384 -69.1384 -39.9441 -39.9441 -36.0963 -36.0963 -36.0898 -36.0898 -35.8097 -35.8097 -35.8074 -35.8074 -35.8030 -35.8030 -35.8006 -35.8006 -7.9043 -7.9043 -7.9032 -7.9032 -7.4539 -7.4539 -7.4399 -7.4399 -7.4371 -7.4371 -1.0432 -1.0432 4.5119 4.5119 5.0861 5.0861 7.2975 7.2975 8.4393 8.4393 8.9321 8.9321 9.8437 9.8437 10.2840 10.2840 k = 0.1618 0.0934 0.2642 ( 8408 PWs) bands (ev): -69.1397 -69.1397 -69.1384 -69.1384 -39.9440 -39.9440 -36.0964 -36.0964 -36.0897 -36.0897 -35.8097 -35.8097 -35.8076 -35.8076 -35.8027 -35.8027 -35.8006 -35.8006 -7.9043 -7.9043 -7.9033 -7.9033 -7.4541 -7.4541 -7.4399 -7.4399 -7.4372 -7.4372 -1.0980 -1.0980 4.6283 4.6283 5.2047 5.2047 7.3535 7.3535 8.4943 8.4943 8.9370 8.9370 9.7846 9.7846 10.2083 10.2083 k = 0.1544 0.0891 0.2522 ( 8424 PWs) bands (ev): -69.1397 -69.1397 -69.1384 -69.1384 -39.9441 -39.9441 -36.0966 -36.0966 -36.0895 -36.0895 -35.8098 -35.8098 -35.8078 -35.8078 -35.8025 -35.8025 -35.8005 -35.8005 -7.9043 -7.9043 -7.9034 -7.9034 -7.4542 -7.4542 -7.4399 -7.4399 -7.4373 -7.4373 -1.1507 -1.1507 4.7479 4.7479 5.3246 5.3246 7.4002 7.4002 8.5473 8.5473 8.9569 8.9569 9.7283 9.7283 10.1349 10.1349 k = 0.1471 0.0849 0.2401 ( 8418 PWs) bands (ev): -69.1397 -69.1397 -69.1383 -69.1383 -39.9441 -39.9441 -36.0967 -36.0967 -36.0894 -36.0894 -35.8098 -35.8098 -35.8080 -35.8080 -35.8023 -35.8023 -35.8005 -35.8005 -7.9044 -7.9044 -7.9035 -7.9035 -7.4544 -7.4544 -7.4398 -7.4398 -7.4374 -7.4374 -1.2014 -1.2014 4.8706 4.8706 5.4456 5.4456 7.4368 7.4368 8.5978 8.5978 8.9923 8.9923 9.6745 9.6745 10.0639 10.0639 k = 0.1397 0.0807 0.2281 ( 8426 PWs) bands (ev): -69.1398 -69.1398 -69.1383 -69.1383 -39.9441 -39.9441 -36.0968 -36.0968 -36.0893 -36.0893 -35.8099 -35.8099 -35.8082 -35.8082 -35.8021 -35.8021 -35.8005 -35.8005 -7.9044 -7.9044 -7.9036 -7.9036 -7.4545 -7.4545 -7.4398 -7.4398 -7.4376 -7.4376 -1.2499 -1.2499 4.9964 4.9964 5.5674 5.5674 7.4634 7.4634 8.6453 8.6453 9.0432 9.0432 9.6234 9.6234 9.9952 9.9952 k = 0.1324 0.0764 0.2161 ( 8424 PWs) bands (ev): -69.1398 -69.1398 -69.1383 -69.1383 -39.9441 -39.9441 -36.0969 -36.0969 -36.0892 -36.0892 -35.8099 -35.8099 -35.8084 -35.8084 -35.8019 -35.8019 -35.8004 -35.8004 -7.9045 -7.9045 -7.9037 -7.9037 -7.4546 -7.4546 -7.4398 -7.4398 -7.4377 -7.4377 -1.2961 -1.2961 5.1251 5.1251 5.6899 5.6899 7.4806 7.4806 8.6896 8.6896 9.1090 9.1090 9.5750 9.5750 9.9288 9.9288 k = 0.1250 0.0722 0.2041 ( 8400 PWs) bands (ev): -69.1398 -69.1398 -69.1383 -69.1383 -39.9440 -39.9440 -36.0970 -36.0970 -36.0890 -36.0890 -35.8099 -35.8099 -35.8086 -35.8086 -35.8017 -35.8017 -35.8004 -35.8004 -7.9045 -7.9045 -7.9038 -7.9038 -7.4548 -7.4548 -7.4397 -7.4397 -7.4378 -7.4378 -1.3401 -1.3401 5.2565 5.2565 5.8128 5.8128 7.4896 7.4896 8.7303 8.7303 9.1885 9.1885 9.5292 9.5292 9.8646 9.8646 k = 0.1176 0.0679 0.1921 ( 8432 PWs) bands (ev): -69.1398 -69.1398 -69.1383 -69.1383 -39.9441 -39.9441 -36.0971 -36.0971 -36.0889 -36.0889 -35.8100 -35.8100 -35.8088 -35.8088 -35.8015 -35.8015 -35.8003 -35.8003 -7.9046 -7.9046 -7.9039 -7.9039 -7.4549 -7.4549 -7.4397 -7.4397 -7.4380 -7.4380 -1.3817 -1.3817 5.3905 5.3905 5.9358 5.9358 7.4916 7.4916 8.7671 8.7671 9.2804 9.2804 9.4860 9.4860 9.8025 9.8025 k = 0.1103 0.0637 0.1801 ( 8432 PWs) bands (ev): -69.1398 -69.1398 -69.1382 -69.1382 -39.9441 -39.9441 -36.0972 -36.0972 -36.0888 -36.0888 -35.8100 -35.8100 -35.8090 -35.8090 -35.8014 -35.8014 -35.8003 -35.8003 -7.9046 -7.9046 -7.9040 -7.9040 -7.4550 -7.4550 -7.4396 -7.4396 -7.4381 -7.4381 -1.4210 -1.4210 5.5270 5.5270 6.0585 6.0585 7.4881 7.4881 8.7999 8.7999 9.3831 9.3831 9.4455 9.4455 9.7425 9.7425 k = 0.1029 0.0594 0.1681 ( 8440 PWs) bands (ev): -69.1399 -69.1399 -69.1382 -69.1382 -39.9441 -39.9441 -36.0973 -36.0973 -36.0887 -36.0887 -35.8100 -35.8100 -35.8091 -35.8091 -35.8012 -35.8012 -35.8003 -35.8003 -7.9046 -7.9046 -7.9041 -7.9041 -7.4551 -7.4551 -7.4396 -7.4396 -7.4382 -7.4382 -1.4578 -1.4578 5.6656 5.6656 6.1806 6.1806 7.4805 7.4805 8.8285 8.8285 9.4075 9.4075 9.4953 9.4953 9.6845 9.6845 k = 0.0956 0.0552 0.1561 ( 8450 PWs) bands (ev): -69.1399 -69.1399 -69.1382 -69.1382 -39.9441 -39.9441 -36.0974 -36.0974 -36.0886 -36.0886 -35.8101 -35.8101 -35.8093 -35.8093 -35.8010 -35.8010 -35.8002 -35.8002 -7.9047 -7.9047 -7.9042 -7.9042 -7.4553 -7.4553 -7.4395 -7.4395 -7.4383 -7.4383 -1.4923 -1.4923 5.8063 5.8063 6.3015 6.3015 7.4699 7.4699 8.8531 8.8531 9.3722 9.3722 9.6134 9.6134 9.6305 9.6305 k = 0.0882 0.0509 0.1441 ( 8447 PWs) bands (ev): -69.1399 -69.1399 -69.1382 -69.1382 -39.9441 -39.9441 -36.0975 -36.0975 -36.0886 -36.0886 -35.8101 -35.8101 -35.8094 -35.8094 -35.8009 -35.8009 -35.8002 -35.8002 -7.9047 -7.9047 -7.9043 -7.9043 -7.4554 -7.4554 -7.4395 -7.4395 -7.4385 -7.4385 -1.5243 -1.5243 5.9487 5.9487 6.4208 6.4208 7.4575 7.4575 8.8736 8.8736 9.3395 9.3395 9.5736 9.5736 9.7432 9.7432 k = 0.0809 0.0467 0.1321 ( 8431 PWs) bands (ev): -69.1399 -69.1399 -69.1382 -69.1382 -39.9441 -39.9441 -36.0975 -36.0975 -36.0885 -36.0885 -35.8101 -35.8101 -35.8095 -35.8095 -35.8007 -35.8007 -35.8002 -35.8002 -7.9047 -7.9047 -7.9043 -7.9043 -7.4555 -7.4555 -7.4394 -7.4394 -7.4386 -7.4386 -1.5538 -1.5538 6.0923 6.0923 6.5378 6.5378 7.4440 7.4440 8.8904 8.8904 9.3095 9.3095 9.5212 9.5212 9.8764 9.8764 k = 0.0735 0.0425 0.1201 ( 8441 PWs) bands (ev): -69.1399 -69.1399 -69.1382 -69.1382 -39.9441 -39.9441 -36.0976 -36.0976 -36.0884 -36.0884 -35.8101 -35.8101 -35.8097 -35.8097 -35.8006 -35.8006 -35.8001 -35.8001 -7.9047 -7.9047 -7.9044 -7.9044 -7.4556 -7.4556 -7.4394 -7.4394 -7.4387 -7.4387 -1.5808 -1.5808 6.2368 6.2368 6.6517 6.6517 7.4301 7.4301 8.9035 8.9035 9.2820 9.2820 9.4705 9.4705 10.0146 10.0146 k = 0.0662 0.0382 0.1081 ( 8449 PWs) bands (ev): -69.1399 -69.1399 -69.1382 -69.1382 -39.9441 -39.9441 -36.0977 -36.0977 -36.0883 -36.0883 -35.8101 -35.8101 -35.8098 -35.8098 -35.8005 -35.8005 -35.8001 -35.8001 -7.9047 -7.9047 -7.9045 -7.9045 -7.4556 -7.4556 -7.4394 -7.4394 -7.4388 -7.4388 -1.6053 -1.6053 6.3814 6.3814 6.7616 6.7616 7.4165 7.4165 8.9131 8.9131 9.2572 9.2572 9.4216 9.4216 10.1557 10.1557 k = 0.0588 0.0340 0.0961 ( 8461 PWs) bands (ev): -69.1400 -69.1400 -69.1381 -69.1381 -39.9441 -39.9441 -36.0977 -36.0977 -36.0883 -36.0883 -35.8102 -35.8102 -35.8099 -35.8099 -35.8004 -35.8004 -35.8001 -35.8001 -7.9048 -7.9048 -7.9046 -7.9046 -7.4557 -7.4557 -7.4393 -7.4393 -7.4388 -7.4388 -1.6272 -1.6272 6.5253 6.5253 6.8665 6.8665 7.4037 7.4037 8.9193 8.9193 9.2350 9.2350 9.3749 9.3749 9.9995 9.9995 k = 0.0515 0.0297 0.0841 ( 8461 PWs) bands (ev): -69.1400 -69.1400 -69.1381 -69.1381 -39.9441 -39.9441 -36.0978 -36.0978 -36.0882 -36.0882 -35.8102 -35.8102 -35.8099 -35.8099 -35.8003 -35.8003 -35.8001 -35.8001 -7.9048 -7.9048 -7.9046 -7.9046 -7.4558 -7.4558 -7.4393 -7.4393 -7.4389 -7.4389 -1.6466 -1.6466 6.6671 6.6671 6.9652 6.9652 7.3921 7.3921 8.9218 8.9218 9.2154 9.2154 9.3305 9.3305 9.8216 9.8216 k = 0.0441 0.0255 0.0720 ( 8453 PWs) bands (ev): -69.1400 -69.1400 -69.1381 -69.1381 -39.9441 -39.9441 -36.0978 -36.0978 -36.0882 -36.0882 -35.8102 -35.8102 -35.8100 -35.8100 -35.8002 -35.8002 -35.8001 -35.8001 -7.9048 -7.9048 -7.9047 -7.9047 -7.4559 -7.4559 -7.4393 -7.4393 -7.4390 -7.4390 -1.6635 -1.6635 6.8048 6.8048 7.0564 7.0564 7.3821 7.3821 8.9202 8.9202 9.1984 9.1984 9.2891 9.2891 9.6550 9.6550 k = 0.0368 0.0212 0.0600 ( 8453 PWs) bands (ev): -69.1400 -69.1400 -69.1381 -69.1381 -39.9441 -39.9441 -36.0979 -36.0979 -36.0881 -36.0881 -35.8102 -35.8102 -35.8101 -35.8101 -35.8002 -35.8002 -35.8000 -35.8000 -7.9048 -7.9048 -7.9047 -7.9047 -7.4559 -7.4559 -7.4392 -7.4392 -7.4391 -7.4391 -1.6777 -1.6777 6.9357 6.9357 7.1385 7.1385 7.3743 7.3743 8.9131 8.9131 9.1839 9.1839 9.2512 9.2512 9.5034 9.5034 k = 0.0294 0.0170 0.0480 ( 8445 PWs) bands (ev): -69.1400 -69.1400 -69.1381 -69.1381 -39.9441 -39.9441 -36.0979 -36.0979 -36.0881 -36.0881 -35.8102 -35.8102 -35.8101 -35.8101 -35.8001 -35.8001 -35.8000 -35.8000 -7.9048 -7.9048 -7.9048 -7.9048 -7.4560 -7.4560 -7.4392 -7.4392 -7.4391 -7.4391 -1.6894 -1.6894 7.0549 7.0549 7.2104 7.2104 7.3694 7.3694 8.8988 8.8988 9.1721 9.1721 9.2180 9.2180 9.3729 9.3729 k = 0.0221 0.0127 0.0360 ( 8419 PWs) bands (ev): -69.1400 -69.1400 -69.1381 -69.1381 -39.9440 -39.9440 -36.0979 -36.0979 -36.0881 -36.0881 -35.8102 -35.8102 -35.8102 -35.8102 -35.8001 -35.8001 -35.8000 -35.8000 -7.9048 -7.9048 -7.9048 -7.9048 -7.4560 -7.4560 -7.4392 -7.4392 -7.4391 -7.4391 -1.6985 -1.6985 7.1546 7.1546 7.2721 7.2721 7.3684 7.3684 8.8753 8.8753 9.1627 9.1627 9.1904 9.1904 9.2704 9.2704 k = 0.0147 0.0085 0.0240 ( 8401 PWs) bands (ev): -69.1400 -69.1400 -69.1381 -69.1381 -39.9440 -39.9440 -36.0979 -36.0979 -36.0880 -36.0880 -35.8102 -35.8102 -35.8102 -35.8102 -35.8000 -35.8000 -35.8000 -35.8000 -7.9048 -7.9048 -7.9048 -7.9048 -7.4560 -7.4560 -7.4392 -7.4392 -7.4392 -7.4392 -1.7050 -1.7050 7.2238 7.2238 7.3251 7.3251 7.3721 7.3721 8.8449 8.8449 9.1553 9.1553 9.1700 9.1700 9.2013 9.2013 k = 0.0074 0.0042 0.0120 ( 8393 PWs) bands (ev): -69.1400 -69.1400 -69.1381 -69.1381 -39.9440 -39.9440 -36.0979 -36.0979 -36.0880 -36.0880 -35.8102 -35.8102 -35.8102 -35.8102 -35.8000 -35.8000 -35.8000 -35.8000 -7.9048 -7.9048 -7.9048 -7.9048 -7.4560 -7.4560 -7.4392 -7.4392 -7.4392 -7.4392 -1.7089 -1.7089 7.2585 7.2585 7.3656 7.3656 7.3782 7.3782 8.8175 8.8175 9.1485 9.1485 9.1583 9.1583 9.1650 9.1650 k = 0.0000 0.0000 0.0000 ( 8393 PWs) bands (ev): -69.1400 -69.1400 -69.1381 -69.1381 -39.9440 -39.9440 -36.0979 -36.0979 -36.0880 -36.0880 -35.8102 -35.8102 -35.8102 -35.8102 -35.8000 -35.8000 -35.8000 -35.8000 -7.9048 -7.9048 -7.9048 -7.9048 -7.4560 -7.4560 -7.4392 -7.4392 -7.4392 -7.4392 -1.7102 -1.7102 7.2681 7.2681 7.3813 7.3813 7.3813 7.3813 8.8064 8.8064 9.1439 9.1439 9.1553 9.1553 9.1553 9.1553 k = 0.0000 0.0000 0.0000 ( 8393 PWs) bands (ev): -69.1400 -69.1400 -69.1381 -69.1381 -39.9440 -39.9440 -36.0979 -36.0979 -36.0880 -36.0880 -35.8102 -35.8102 -35.8102 -35.8102 -35.8000 -35.8000 -35.8000 -35.8000 -7.9048 -7.9048 -7.9048 -7.9048 -7.4560 -7.4560 -7.4392 -7.4392 -7.4392 -7.4392 -1.7102 -1.7102 7.2681 7.2681 7.3813 7.3813 7.3813 7.3813 8.8064 8.8064 9.1439 9.1439 9.1553 9.1553 9.1553 9.1553 k = 0.0119 0.0069 0.0049 ( 8393 PWs) bands (ev): -69.1400 -69.1400 -69.1381 -69.1381 -39.9440 -39.9440 -36.0979 -36.0979 -36.0880 -36.0880 -35.8102 -35.8102 -35.8102 -35.8102 -35.8000 -35.8000 -35.8000 -35.8000 -7.9048 -7.9048 -7.9048 -7.9048 -7.4560 -7.4560 -7.4392 -7.4392 -7.4392 -7.4392 -1.7089 -1.7089 7.2585 7.2585 7.3655 7.3655 7.3790 7.3790 8.8172 8.8172 9.1496 9.1496 9.1599 9.1599 9.1621 9.1621 k = 0.0238 0.0137 0.0097 ( 8405 PWs) bands (ev): -69.1400 -69.1400 -69.1381 -69.1381 -39.9440 -39.9440 -36.0979 -36.0979 -36.0880 -36.0880 -35.8102 -35.8102 -35.8102 -35.8102 -35.8000 -35.8000 -35.8000 -35.8000 -7.9048 -7.9048 -7.9048 -7.9048 -7.4560 -7.4560 -7.4392 -7.4392 -7.4392 -7.4392 -1.7051 -1.7051 7.2200 7.2200 7.3313 7.3313 7.3720 7.3720 8.8420 8.8420 9.1649 9.1649 9.1737 9.1737 9.1885 9.1885 k = 0.0357 0.0206 0.0146 ( 8423 PWs) bands (ev): -69.1400 -69.1400 -69.1381 -69.1381 -39.9440 -39.9440 -36.0979 -36.0979 -36.0881 -36.0881 -35.8102 -35.8102 -35.8102 -35.8102 -35.8000 -35.8000 -35.8000 -35.8000 -7.9048 -7.9048 -7.9048 -7.9048 -7.4560 -7.4560 -7.4392 -7.4392 -7.4391 -7.4391 -1.6987 -1.6987 7.1378 7.1378 7.3026 7.3026 7.3607 7.3607 8.8636 8.8636 9.1875 9.1875 9.1964 9.1964 9.2451 9.2451 k = 0.0476 0.0275 0.0194 ( 8435 PWs) bands (ev): -69.1400 -69.1400 -69.1381 -69.1381 -39.9441 -39.9441 -36.0979 -36.0979 -36.0881 -36.0881 -35.8102 -35.8102 -35.8102 -35.8102 -35.8001 -35.8001 -35.8001 -35.8001 -7.9048 -7.9048 -7.9048 -7.9048 -7.4560 -7.4560 -7.4392 -7.4392 -7.4391 -7.4391 -1.6898 -1.6898 7.0206 7.0206 7.2804 7.2804 7.3455 7.3455 8.8697 8.8697 9.2177 9.2177 9.2273 9.2273 9.3344 9.3344 k = 0.0595 0.0344 0.0243 ( 8444 PWs) bands (ev): -69.1400 -69.1400 -69.1381 -69.1381 -39.9441 -39.9441 -36.0979 -36.0979 -36.0881 -36.0881 -35.8101 -35.8101 -35.8101 -35.8101 -35.8001 -35.8001 -35.8001 -35.8001 -7.9048 -7.9048 -7.9047 -7.9047 -7.4559 -7.4559 -7.4393 -7.4393 -7.4390 -7.4390 -1.6783 -1.6783 6.8822 6.8822 7.2589 7.2589 7.3267 7.3267 8.8594 8.8594 9.2552 9.2552 9.2659 9.2659 9.4497 9.4497 k = 0.0714 0.0412 0.0292 ( 8450 PWs) bands (ev): -69.1400 -69.1400 -69.1381 -69.1381 -39.9441 -39.9441 -36.0978 -36.0978 -36.0882 -36.0882 -35.8101 -35.8101 -35.8101 -35.8101 -35.8002 -35.8002 -35.8001 -35.8001 -7.9048 -7.9048 -7.9047 -7.9047 -7.4559 -7.4559 -7.4393 -7.4393 -7.4390 -7.4390 -1.6643 -1.6643 6.7307 6.7307 7.2362 7.2362 7.3050 7.3050 8.8369 8.8369 9.2991 9.2991 9.3111 9.3111 9.5818 9.5818 k = 0.0833 0.0481 0.0340 ( 8450 PWs) bands (ev): -69.1400 -69.1400 -69.1381 -69.1381 -39.9441 -39.9441 -36.0978 -36.0978 -36.0882 -36.0882 -35.8101 -35.8101 -35.8101 -35.8101 -35.8002 -35.8002 -35.8002 -35.8002 -7.9048 -7.9048 -7.9046 -7.9046 -7.4558 -7.4558 -7.4393 -7.4393 -7.4389 -7.4389 -1.6477 -1.6477 6.5708 6.5708 7.2119 7.2119 7.2810 7.2810 8.8057 8.8057 9.3484 9.3484 9.3620 9.3620 9.7236 9.7236 k = 0.0952 0.0550 0.0389 ( 8450 PWs) bands (ev): -69.1400 -69.1400 -69.1381 -69.1381 -39.9441 -39.9441 -36.0977 -36.0977 -36.0883 -36.0883 -35.8100 -35.8100 -35.8100 -35.8100 -35.8003 -35.8003 -35.8002 -35.8002 -7.9048 -7.9048 -7.9046 -7.9046 -7.4557 -7.4557 -7.4394 -7.4394 -7.4388 -7.4388 -1.6287 -1.6287 6.4053 6.4053 7.1861 7.1861 7.2550 7.2550 8.7684 8.7684 9.4016 9.4016 9.4168 9.4168 9.8702 9.8702 k = 0.1071 0.0619 0.0437 ( 8450 PWs) bands (ev): -69.1399 -69.1399 -69.1382 -69.1382 -39.9441 -39.9441 -36.0977 -36.0977 -36.0883 -36.0883 -35.8100 -35.8100 -35.8100 -35.8100 -35.8003 -35.8003 -35.8003 -35.8003 -7.9048 -7.9048 -7.9045 -7.9045 -7.4557 -7.4557 -7.4394 -7.4394 -7.4387 -7.4387 -1.6071 -1.6071 6.2364 6.2364 7.1592 7.1592 7.2278 7.2278 8.7268 8.7268 9.4566 9.4566 9.4736 9.4736 10.0183 10.0183 k = 0.1190 0.0687 0.0486 ( 8441 PWs) bands (ev): -69.1399 -69.1399 -69.1382 -69.1382 -39.9441 -39.9441 -36.0976 -36.0976 -36.0884 -36.0884 -35.8099 -35.8099 -35.8099 -35.8099 -35.8004 -35.8004 -35.8004 -35.8004 -7.9047 -7.9047 -7.9044 -7.9044 -7.4556 -7.4556 -7.4395 -7.4395 -7.4386 -7.4386 -1.5831 -1.5831 6.0655 6.0655 7.1315 7.1315 7.1997 7.1997 8.6821 8.6821 9.5100 9.5100 9.5291 9.5291 10.1651 10.1651 k = 0.1310 0.0756 0.0535 ( 8432 PWs) bands (ev): -69.1399 -69.1399 -69.1382 -69.1382 -39.9441 -39.9441 -36.0975 -36.0975 -36.0885 -36.0885 -35.8098 -35.8098 -35.8098 -35.8098 -35.8005 -35.8005 -35.8004 -35.8004 -7.9047 -7.9047 -7.9043 -7.9043 -7.4555 -7.4555 -7.4395 -7.4395 -7.4385 -7.4385 -1.5566 -1.5566 5.8934 5.8934 7.1034 7.1034 7.1711 7.1711 8.6352 8.6352 9.5564 9.5564 9.5779 9.5779 10.2918 10.2918 k = 0.1429 0.0825 0.0583 ( 8432 PWs) bands (ev): -69.1399 -69.1399 -69.1382 -69.1382 -39.9441 -39.9441 -36.0975 -36.0975 -36.0885 -36.0885 -35.8098 -35.8098 -35.8097 -35.8097 -35.8005 -35.8005 -35.8005 -35.8005 -7.9047 -7.9047 -7.9043 -7.9043 -7.4554 -7.4554 -7.4396 -7.4396 -7.4384 -7.4384 -1.5277 -1.5277 5.7210 5.7210 7.0752 7.0752 7.1424 7.1424 8.5868 8.5868 9.5878 9.5878 9.6116 9.6116 10.2383 10.2383 k = 0.1548 0.0894 0.0632 ( 8438 PWs) bands (ev): -69.1399 -69.1399 -69.1382 -69.1382 -39.9441 -39.9441 -36.0974 -36.0974 -36.0886 -36.0886 -35.8097 -35.8097 -35.8096 -35.8096 -35.8006 -35.8006 -35.8006 -35.8006 -7.9047 -7.9047 -7.9042 -7.9042 -7.4553 -7.4553 -7.4396 -7.4396 -7.4382 -7.4382 -1.4963 -1.4963 5.5489 5.5489 7.0471 7.0471 7.1139 7.1139 8.5375 8.5375 9.5942 9.5942 9.6195 9.6195 10.2142 10.2142 k = 0.1667 0.0962 0.0680 ( 8423 PWs) bands (ev): -69.1399 -69.1399 -69.1382 -69.1382 -39.9440 -39.9440 -36.0973 -36.0973 -36.0887 -36.0887 -35.8096 -35.8096 -35.8096 -35.8096 -35.8007 -35.8007 -35.8007 -35.8007 -7.9047 -7.9047 -7.9041 -7.9041 -7.4552 -7.4552 -7.4397 -7.4397 -7.4381 -7.4381 -1.4626 -1.4626 5.3776 5.3776 7.0195 7.0195 7.0859 7.0859 8.4878 8.4878 9.5703 9.5703 9.5958 9.5958 10.2275 10.2275 k = 0.1786 0.1031 0.0729 ( 8444 PWs) bands (ev): -69.1398 -69.1398 -69.1382 -69.1382 -39.9441 -39.9441 -36.0972 -36.0972 -36.0888 -36.0888 -35.8095 -35.8095 -35.8095 -35.8095 -35.8008 -35.8008 -35.8008 -35.8008 -7.9046 -7.9046 -7.9040 -7.9040 -7.4550 -7.4550 -7.4398 -7.4398 -7.4380 -7.4380 -1.4265 -1.4265 5.2073 5.2073 6.9926 6.9926 7.0587 7.0587 8.4380 8.4380 9.5201 9.5201 9.5446 9.5446 10.2740 10.2740 k = 0.1905 0.1100 0.0778 ( 8447 PWs) bands (ev): -69.1398 -69.1398 -69.1383 -69.1383 -39.9441 -39.9441 -36.0971 -36.0971 -36.0889 -36.0889 -35.8094 -35.8094 -35.8094 -35.8094 -35.8009 -35.8009 -35.8009 -35.8009 -7.9046 -7.9046 -7.9039 -7.9039 -7.4549 -7.4549 -7.4398 -7.4398 -7.4378 -7.4378 -1.3882 -1.3882 5.0384 5.0384 6.9664 6.9664 7.0323 7.0323 8.3886 8.3886 9.4525 9.4525 9.4756 9.4756 10.3446 10.3446 k = 0.2024 0.1168 0.0826 ( 8447 PWs) bands (ev): -69.1398 -69.1398 -69.1383 -69.1383 -39.9441 -39.9441 -36.0970 -36.0970 -36.0890 -36.0890 -35.8093 -35.8093 -35.8092 -35.8092 -35.8011 -35.8011 -35.8010 -35.8010 -7.9046 -7.9046 -7.9038 -7.9038 -7.4548 -7.4548 -7.4399 -7.4399 -7.4377 -7.4377 -1.3475 -1.3475 4.8712 4.8712 6.9413 6.9413 7.0070 7.0070 8.3398 8.3398 9.3753 9.3753 9.3970 9.3970 10.4317 10.4317 k = 0.2143 0.1237 0.0875 ( 8426 PWs) bands (ev): -69.1398 -69.1398 -69.1383 -69.1383 -39.9441 -39.9441 -36.0969 -36.0969 -36.0892 -36.0892 -35.8092 -35.8092 -35.8091 -35.8091 -35.8012 -35.8012 -35.8011 -35.8011 -7.9046 -7.9046 -7.9036 -7.9036 -7.4547 -7.4547 -7.4400 -7.4400 -7.4375 -7.4375 -1.3047 -1.3047 4.7060 4.7060 6.9173 6.9173 6.9829 6.9829 8.2919 8.2919 9.2933 9.2933 9.3136 9.3136 10.5303 10.5303 k = 0.2262 0.1306 0.0923 ( 8426 PWs) bands (ev): -69.1398 -69.1398 -69.1383 -69.1383 -39.9441 -39.9441 -36.0968 -36.0968 -36.0893 -36.0893 -35.8091 -35.8091 -35.8090 -35.8090 -35.8013 -35.8013 -35.8013 -35.8013 -7.9045 -7.9045 -7.9035 -7.9035 -7.4545 -7.4545 -7.4401 -7.4401 -7.4374 -7.4374 -1.2597 -1.2597 4.5429 4.5429 6.8946 6.8946 6.9602 6.9602 8.2450 8.2450 9.2094 9.2094 9.2286 9.2286 10.6374 10.6374 k = 0.2381 0.1375 0.0972 ( 8420 PWs) bands (ev): -69.1397 -69.1397 -69.1384 -69.1384 -39.9441 -39.9441 -36.0967 -36.0967 -36.0894 -36.0894 -35.8089 -35.8089 -35.8089 -35.8089 -35.8014 -35.8014 -35.8014 -35.8014 -7.9045 -7.9045 -7.9034 -7.9034 -7.4544 -7.4544 -7.4401 -7.4401 -7.4372 -7.4372 -1.2127 -1.2127 4.3822 4.3822 6.8731 6.8731 6.9387 6.9387 8.1993 8.1993 9.1255 9.1255 9.1435 9.1435 10.7513 10.7513 k = 0.2500 0.1443 0.1021 ( 8420 PWs) bands (ev): -69.1397 -69.1397 -69.1384 -69.1384 -39.9441 -39.9441 -36.0965 -36.0965 -36.0895 -36.0895 -35.8088 -35.8088 -35.8088 -35.8088 -35.8016 -35.8016 -35.8015 -35.8015 -7.9045 -7.9045 -7.9033 -7.9033 -7.4543 -7.4543 -7.4402 -7.4402 -7.4370 -7.4370 -1.1637 -1.1637 4.2240 4.2240 6.8530 6.8530 6.9188 6.9188 8.1549 8.1549 9.0425 9.0425 9.0594 9.0594 10.8708 10.8708 k = 0.2619 0.1512 0.1069 ( 8432 PWs) bands (ev): -69.1397 -69.1397 -69.1384 -69.1384 -39.9441 -39.9441 -36.0964 -36.0964 -36.0897 -36.0897 -35.8087 -35.8087 -35.8086 -35.8086 -35.8017 -35.8017 -35.8017 -35.8017 -7.9045 -7.9045 -7.9032 -7.9032 -7.4542 -7.4542 -7.4403 -7.4403 -7.4369 -7.4369 -1.1127 -1.1127 4.0685 4.0685 6.8344 6.8344 6.9003 6.9003 8.1121 8.1121 8.9612 8.9612 8.9770 8.9770 10.9953 10.9953 k = 0.2738 0.1581 0.1118 ( 8426 PWs) bands (ev): -69.1397 -69.1397 -69.1384 -69.1384 -39.9441 -39.9441 -36.0963 -36.0963 -36.0898 -36.0898 -35.8086 -35.8086 -35.8085 -35.8085 -35.8019 -35.8019 -35.8018 -35.8018 -7.9044 -7.9044 -7.9031 -7.9031 -7.4540 -7.4540 -7.4404 -7.4404 -7.4367 -7.4367 -1.0600 -1.0600 3.9160 3.9160 6.8172 6.8172 6.8833 6.8833 8.0709 8.0709 8.8821 8.8821 8.8968 8.8968 11.0636 11.0636 k = 0.2857 0.1650 0.1166 ( 8429 PWs) bands (ev): -69.1396 -69.1396 -69.1385 -69.1385 -39.9441 -39.9441 -36.0961 -36.0961 -36.0900 -36.0900 -35.8084 -35.8084 -35.8083 -35.8083 -35.8020 -35.8020 -35.8020 -35.8020 -7.9044 -7.9044 -7.9030 -7.9030 -7.4539 -7.4539 -7.4404 -7.4404 -7.4365 -7.4365 -1.0057 -1.0057 3.7666 3.7666 6.8014 6.8014 6.8678 6.8678 8.0313 8.0313 8.8054 8.8054 8.8192 8.8192 11.0693 11.0693 k = 0.2976 0.1718 0.1215 ( 8441 PWs) bands (ev): -69.1396 -69.1396 -69.1385 -69.1385 -39.9441 -39.9441 -36.0960 -36.0960 -36.0901 -36.0901 -35.8083 -35.8083 -35.8082 -35.8082 -35.8022 -35.8022 -35.8021 -35.8021 -7.9044 -7.9044 -7.9029 -7.9029 -7.4538 -7.4538 -7.4405 -7.4405 -7.4364 -7.4364 -0.9499 -0.9499 3.6206 3.6206 6.7871 6.7871 6.8539 6.8539 7.9936 7.9936 8.7315 8.7315 8.7443 8.7443 11.0732 11.0732 k = 0.3095 0.1787 0.1264 ( 8429 PWs) bands (ev): -69.1396 -69.1396 -69.1385 -69.1385 -39.9441 -39.9441 -36.0958 -36.0958 -36.0903 -36.0903 -35.8081 -35.8081 -35.8080 -35.8080 -35.8023 -35.8023 -35.8023 -35.8023 -7.9044 -7.9044 -7.9028 -7.9028 -7.4537 -7.4537 -7.4406 -7.4406 -7.4362 -7.4362 -0.8928 -0.8928 3.4783 3.4783 6.7742 6.7742 6.8414 6.8414 7.9577 7.9577 8.6607 8.6607 8.6724 8.6724 11.0760 11.0760 k = 0.3214 0.1856 0.1312 ( 8423 PWs) bands (ev): -69.1395 -69.1395 -69.1385 -69.1385 -39.9441 -39.9441 -36.0957 -36.0957 -36.0904 -36.0904 -35.8080 -35.8080 -35.8079 -35.8079 -35.8025 -35.8025 -35.8024 -35.8024 -7.9043 -7.9043 -7.9027 -7.9027 -7.4536 -7.4536 -7.4407 -7.4407 -7.4361 -7.4361 -0.8346 -0.8346 3.3397 3.3397 6.7628 6.7628 6.8304 6.8304 7.9237 7.9237 8.5930 8.5930 8.6038 8.6038 11.0777 11.0777 k = 0.3333 0.1925 0.1361 ( 8423 PWs) bands (ev): -69.1395 -69.1395 -69.1386 -69.1386 -39.9441 -39.9441 -36.0955 -36.0955 -36.0906 -36.0906 -35.8078 -35.8078 -35.8077 -35.8077 -35.8027 -35.8027 -35.8026 -35.8026 -7.9043 -7.9043 -7.9026 -7.9026 -7.4535 -7.4535 -7.4407 -7.4407 -7.4359 -7.4359 -0.7755 -0.7755 3.2054 3.2054 6.7527 6.7527 6.8209 6.8209 7.8918 7.8918 8.5287 8.5287 8.5385 8.5385 11.0788 11.0788 k = 0.3452 0.1993 0.1409 ( 8423 PWs) bands (ev): -69.1395 -69.1395 -69.1386 -69.1386 -39.9441 -39.9441 -36.0954 -36.0954 -36.0907 -36.0907 -35.8076 -35.8076 -35.8075 -35.8075 -35.8028 -35.8028 -35.8028 -35.8028 -7.9043 -7.9043 -7.9025 -7.9025 -7.4534 -7.4534 -7.4408 -7.4408 -7.4358 -7.4358 -0.7159 -0.7159 3.0756 3.0756 6.7439 6.7439 6.8126 6.8126 7.8618 7.8618 8.4679 8.4679 8.4767 8.4767 11.0793 11.0793 k = 0.3571 0.2062 0.1458 ( 8441 PWs) bands (ev): -69.1395 -69.1395 -69.1386 -69.1386 -39.9441 -39.9441 -36.0952 -36.0952 -36.0909 -36.0909 -35.8075 -35.8075 -35.8074 -35.8074 -35.8030 -35.8030 -35.8029 -35.8029 -7.9043 -7.9043 -7.9024 -7.9024 -7.4533 -7.4533 -7.4409 -7.4409 -7.4357 -7.4357 -0.6562 -0.6562 2.9507 2.9507 6.7363 6.7363 6.8056 6.8056 7.8339 7.8339 8.4108 8.4108 8.4186 8.4186 11.0794 11.0794 k = 0.3690 0.2131 0.1507 ( 8459 PWs) bands (ev): -69.1394 -69.1394 -69.1387 -69.1387 -39.9441 -39.9441 -36.0951 -36.0951 -36.0911 -36.0911 -35.8073 -35.8073 -35.8072 -35.8072 -35.8032 -35.8032 -35.8031 -35.8031 -7.9043 -7.9043 -7.9023 -7.9023 -7.4532 -7.4532 -7.4409 -7.4409 -7.4355 -7.4355 -0.5967 -0.5967 2.8311 2.8311 6.7299 6.7299 6.7999 6.7999 7.8081 7.8081 8.3575 8.3575 8.3643 8.3643 11.0793 11.0793 k = 0.3810 0.2199 0.1555 ( 8471 PWs) bands (ev): -69.1394 -69.1394 -69.1387 -69.1387 -39.9441 -39.9441 -36.0949 -36.0949 -36.0913 -36.0913 -35.8071 -35.8071 -35.8070 -35.8070 -35.8034 -35.8034 -35.8033 -35.8033 -7.9042 -7.9042 -7.9023 -7.9023 -7.4531 -7.4531 -7.4410 -7.4410 -7.4354 -7.4354 -0.5379 -0.5379 2.7174 2.7174 6.7246 6.7246 6.7952 6.7952 7.7845 7.7845 8.3081 8.3081 8.3141 8.3141 11.0790 11.0790 k = 0.3929 0.2268 0.1604 ( 8465 PWs) bands (ev): -69.1394 -69.1394 -69.1387 -69.1387 -39.9441 -39.9441 -36.0947 -36.0947 -36.0914 -36.0914 -35.8070 -35.8070 -35.8069 -35.8069 -35.8036 -35.8036 -35.8035 -35.8035 -7.9042 -7.9042 -7.9022 -7.9022 -7.4530 -7.4530 -7.4410 -7.4410 -7.4353 -7.4353 -0.4805 -0.4805 2.6103 2.6103 6.7202 6.7202 6.7915 6.7915 7.7630 7.7630 8.2629 8.2629 8.2679 8.2679 11.0785 11.0785 k = 0.4048 0.2337 0.1652 ( 8453 PWs) bands (ev): -69.1393 -69.1393 -69.1388 -69.1388 -39.9441 -39.9441 -36.0945 -36.0945 -36.0916 -36.0916 -35.8068 -35.8068 -35.8067 -35.8067 -35.8037 -35.8037 -35.8037 -35.8037 -7.9042 -7.9042 -7.9021 -7.9021 -7.4529 -7.4529 -7.4411 -7.4411 -7.4352 -7.4352 -0.4252 -0.4252 2.5103 2.5103 6.7167 6.7167 6.7886 6.7886 7.7438 7.7438 8.2220 8.2220 8.2261 8.2261 11.0780 11.0780 k = 0.4167 0.2406 0.1701 ( 8453 PWs) bands (ev): -69.1393 -69.1393 -69.1388 -69.1388 -39.9441 -39.9441 -36.0944 -36.0944 -36.0918 -36.0918 -35.8066 -35.8066 -35.8065 -35.8065 -35.8039 -35.8039 -35.8038 -35.8038 -7.9042 -7.9042 -7.9021 -7.9021 -7.4529 -7.4529 -7.4411 -7.4411 -7.4351 -7.4351 -0.3727 -0.3727 2.4185 2.4185 6.7140 6.7140 6.7865 6.7865 7.7267 7.7267 8.1854 8.1854 8.1887 8.1887 11.0775 11.0775 k = 0.4286 0.2474 0.1750 ( 8454 PWs) bands (ev): -69.1393 -69.1393 -69.1388 -69.1388 -39.9441 -39.9441 -36.0942 -36.0942 -36.0920 -36.0920 -35.8064 -35.8064 -35.8063 -35.8063 -35.8041 -35.8041 -35.8040 -35.8040 -7.9042 -7.9042 -7.9020 -7.9020 -7.4528 -7.4528 -7.4411 -7.4411 -7.4351 -7.4351 -0.3239 -0.3239 2.3356 2.3356 6.7119 6.7119 6.7850 6.7850 7.7119 7.7119 8.1534 8.1534 8.1559 8.1559 11.0769 11.0769 k = 0.4405 0.2543 0.1798 ( 8460 PWs) bands (ev): -69.1392 -69.1392 -69.1389 -69.1389 -39.9441 -39.9441 -36.0940 -36.0940 -36.0922 -36.0922 -35.8062 -35.8062 -35.8061 -35.8061 -35.8043 -35.8043 -35.8042 -35.8042 -7.9042 -7.9042 -7.9020 -7.9020 -7.4528 -7.4528 -7.4412 -7.4412 -7.4350 -7.4350 -0.2800 -0.2800 2.2627 2.2627 6.7103 6.7103 6.7840 6.7840 7.6993 7.6993 8.1261 8.1261 8.1279 8.1279 11.0765 11.0765 k = 0.4524 0.2612 0.1847 ( 8463 PWs) bands (ev): -69.1392 -69.1392 -69.1389 -69.1389 -39.9441 -39.9441 -36.0938 -36.0938 -36.0923 -36.0923 -35.8060 -35.8060 -35.8059 -35.8059 -35.8045 -35.8045 -35.8044 -35.8044 -7.9042 -7.9042 -7.9019 -7.9019 -7.4527 -7.4527 -7.4412 -7.4412 -7.4349 -7.4349 -0.2419 -0.2419 2.2010 2.2010 6.7092 6.7092 6.7834 6.7834 7.6891 7.6891 8.1035 8.1035 8.1048 8.1048 11.0760 11.0760 k = 0.4643 0.2681 0.1895 ( 8457 PWs) bands (ev): -69.1391 -69.1391 -69.1389 -69.1389 -39.9441 -39.9441 -36.0936 -36.0936 -36.0925 -36.0925 -35.8059 -35.8059 -35.8057 -35.8057 -35.8047 -35.8047 -35.8046 -35.8046 -7.9042 -7.9042 -7.9019 -7.9019 -7.4527 -7.4527 -7.4412 -7.4412 -7.4349 -7.4349 -0.2109 -0.2109 2.1515 2.1515 6.7085 6.7085 6.7830 6.7830 7.6810 7.6810 8.0858 8.0858 8.0866 8.0866 11.0757 11.0757 k = 0.4762 0.2749 0.1944 ( 8457 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0935 -36.0935 -36.0927 -36.0927 -35.8057 -35.8057 -35.8056 -35.8056 -35.8049 -35.8049 -35.8048 -35.8048 -7.9042 -7.9042 -7.9019 -7.9019 -7.4527 -7.4527 -7.4412 -7.4412 -7.4349 -7.4349 -0.1878 -0.1878 2.1153 2.1153 6.7080 6.7080 6.7828 6.7828 7.6753 7.6753 8.0732 8.0732 8.0736 8.0736 11.0754 11.0754 k = 0.4881 0.2818 0.1993 ( 8436 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0933 -36.0933 -36.0929 -36.0929 -35.8055 -35.8055 -35.8054 -35.8054 -35.8051 -35.8051 -35.8050 -35.8050 -7.9042 -7.9042 -7.9019 -7.9019 -7.4527 -7.4527 -7.4412 -7.4412 -7.4348 -7.4348 -0.1736 -0.1736 2.0932 2.0932 6.7077 6.7077 6.7827 6.7827 7.6719 7.6719 8.0655 8.0655 8.0657 8.0657 11.0752 11.0752 k = 0.5000 0.2887 0.2041 ( 8424 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0931 -36.0931 -36.0930 -36.0930 -35.8054 -35.8054 -35.8052 -35.8052 -35.8052 -35.8052 -35.8052 -35.8052 -7.9042 -7.9042 -7.9019 -7.9019 -7.4527 -7.4527 -7.4412 -7.4412 -7.4348 -7.4348 -0.1688 -0.1688 2.0857 2.0857 6.7076 6.7076 6.7827 6.7827 7.6707 7.6707 8.0630 8.0630 8.0631 8.0631 11.0752 11.0752 k = 0.5000 0.2887 0.2041 ( 8424 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0931 -36.0931 -36.0930 -36.0930 -35.8054 -35.8054 -35.8052 -35.8052 -35.8052 -35.8052 -35.8052 -35.8052 -7.9042 -7.9042 -7.9019 -7.9019 -7.4527 -7.4527 -7.4412 -7.4412 -7.4348 -7.4348 -0.1688 -0.1688 2.0857 2.0857 6.7076 6.7076 6.7827 6.7827 7.6707 7.6707 8.0630 8.0630 8.0631 8.0631 11.0752 11.0752 k = 0.5042 0.2766 0.2109 ( 8429 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0931 -36.0931 -36.0930 -36.0930 -35.8055 -35.8055 -35.8054 -35.8054 -35.8051 -35.8051 -35.8050 -35.8050 -7.9042 -7.9042 -7.9019 -7.9019 -7.4526 -7.4526 -7.4412 -7.4412 -7.4348 -7.4348 -0.1676 -0.1676 2.0869 2.0869 6.6860 6.6860 6.7635 6.7635 7.6966 7.6966 8.0681 8.0681 8.0736 8.0736 11.0818 11.0818 k = 0.5083 0.2646 0.2177 ( 8443 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0931 -36.0931 -36.0930 -36.0930 -35.8056 -35.8056 -35.8055 -35.8055 -35.8049 -35.8049 -35.8048 -35.8048 -7.9042 -7.9042 -7.9019 -7.9019 -7.4526 -7.4526 -7.4412 -7.4412 -7.4349 -7.4349 -0.1642 -0.1642 2.0904 2.0904 6.6127 6.6127 6.7261 6.7261 7.7580 7.7580 8.0888 8.0888 8.1045 8.1045 11.1016 11.1016 k = 0.5125 0.2526 0.2245 ( 8443 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0931 -36.0931 -36.0930 -36.0930 -35.8058 -35.8058 -35.8057 -35.8057 -35.8047 -35.8047 -35.8047 -35.8047 -7.9041 -7.9041 -7.9019 -7.9019 -7.4526 -7.4526 -7.4412 -7.4412 -7.4349 -7.4349 -0.1585 -0.1585 2.0962 2.0962 6.4965 6.4965 6.6838 6.6838 7.8185 7.8185 8.1410 8.1410 8.1543 8.1543 11.1344 11.1344 k = 0.5167 0.2406 0.2313 ( 8457 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0931 -36.0931 -36.0931 -36.0930 -35.8060 -35.8060 -35.8059 -35.8059 -35.8045 -35.8045 -35.8045 -35.8045 -7.9041 -7.9041 -7.9019 -7.9019 -7.4526 -7.4526 -7.4412 -7.4412 -7.4349 -7.4349 -0.1505 -0.1505 2.1043 2.1043 6.3571 6.3571 6.6346 6.6346 7.8498 7.8498 8.2174 8.2174 8.2413 8.2413 11.1797 11.1797 k = 0.5208 0.2285 0.2381 ( 8451 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0931 -36.0931 -36.0931 -36.0931 -35.8062 -35.8062 -35.8061 -35.8061 -35.8044 -35.8044 -35.8043 -35.8043 -7.9041 -7.9041 -7.9019 -7.9019 -7.4526 -7.4526 -7.4411 -7.4411 -7.4349 -7.4349 -0.1402 -0.1402 2.1148 2.1148 6.2058 6.2058 6.5787 6.5787 7.8528 7.8528 8.2960 8.2960 8.3753 8.3753 11.2371 11.2371 k = 0.5250 0.2165 0.2449 ( 8448 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0931 -36.0931 -36.0931 -36.0931 -35.8063 -35.8063 -35.8062 -35.8062 -35.8042 -35.8042 -35.8041 -35.8041 -7.9041 -7.9041 -7.9019 -7.9019 -7.4525 -7.4525 -7.4411 -7.4411 -7.4350 -7.4350 -0.1278 -0.1278 2.1275 2.1275 6.0483 6.0483 6.5176 6.5176 7.8390 7.8390 8.3851 8.3851 8.5300 8.5300 11.3060 11.3060 k = 0.5292 0.2045 0.2518 ( 8452 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0931 -36.0931 -36.0931 -36.0931 -35.8065 -35.8065 -35.8064 -35.8064 -35.8040 -35.8040 -35.8040 -35.8040 -7.9040 -7.9040 -7.9019 -7.9019 -7.4525 -7.4525 -7.4410 -7.4410 -7.4350 -7.4350 -0.1131 -0.1131 2.1426 2.1426 5.8876 5.8876 6.4529 6.4529 7.8155 7.8155 8.4832 8.4832 8.6955 8.6955 11.3856 11.3856 k = 0.5333 0.1925 0.2586 ( 8447 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0931 -36.0931 -36.0931 -36.0931 -35.8067 -35.8067 -35.8066 -35.8066 -35.8039 -35.8039 -35.8038 -35.8038 -7.9040 -7.9040 -7.9019 -7.9019 -7.4525 -7.4525 -7.4409 -7.4409 -7.4351 -7.4351 -0.0962 -0.0962 2.1599 2.1599 5.7256 5.7256 6.3859 6.3859 7.7859 7.7859 8.5888 8.5888 8.8671 8.8671 11.4751 11.4751 k = 0.5375 0.1804 0.2654 ( 8443 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0931 -36.0931 -36.0931 -36.0931 -35.8068 -35.8068 -35.8067 -35.8067 -35.8037 -35.8037 -35.8036 -35.8036 -7.9039 -7.9039 -7.9019 -7.9019 -7.4524 -7.4524 -7.4408 -7.4408 -7.4351 -7.4351 -0.0772 -0.0772 2.1794 2.1794 5.5635 5.5635 6.3177 6.3177 7.7521 7.7521 8.7007 8.7007 9.0422 9.0422 11.5733 11.5733 k = 0.5417 0.1684 0.2722 ( 8433 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0932 -36.0932 -36.0931 -36.0931 -35.8070 -35.8070 -35.8069 -35.8069 -35.8035 -35.8035 -35.8035 -35.8035 -7.9039 -7.9039 -7.9019 -7.9019 -7.4524 -7.4524 -7.4407 -7.4407 -7.4352 -7.4352 -0.0561 -0.0561 2.2012 2.2012 5.4022 5.4022 6.2492 6.2492 7.7153 7.7153 8.8182 8.8182 9.2192 9.2192 11.6784 11.6784 k = 0.5458 0.1564 0.2790 ( 8443 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0932 -36.0932 -36.0931 -36.0931 -35.8072 -35.8072 -35.8070 -35.8070 -35.8034 -35.8034 -35.8033 -35.8033 -7.9038 -7.9038 -7.9019 -7.9019 -7.4523 -7.4523 -7.4406 -7.4406 -7.4352 -7.4352 -0.0330 -0.0330 2.2251 2.2251 5.2421 5.2421 6.1808 6.1808 7.6765 7.6765 8.9405 8.9405 9.3971 9.3971 11.7865 11.7865 k = 0.5500 0.1443 0.2858 ( 8441 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0932 -36.0932 -36.0931 -36.0931 -35.8073 -35.8073 -35.8072 -35.8072 -35.8032 -35.8032 -35.8031 -35.8031 -7.9038 -7.9038 -7.9019 -7.9019 -7.4523 -7.4523 -7.4405 -7.4405 -7.4353 -7.4353 -0.0080 -0.0080 2.2511 2.2511 5.0838 5.0838 6.1132 6.1132 7.6363 7.6363 9.0670 9.0670 9.5751 9.5751 11.8850 11.8850 k = 0.5542 0.1323 0.2926 ( 8438 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0932 -36.0932 -36.0930 -36.0930 -35.8075 -35.8075 -35.8073 -35.8073 -35.8031 -35.8031 -35.8030 -35.8030 -7.9037 -7.9037 -7.9018 -7.9018 -7.4522 -7.4522 -7.4404 -7.4404 -7.4354 -7.4354 0.0190 0.0190 2.2792 2.2792 4.9277 4.9277 6.0467 6.0467 7.5953 7.5953 9.1974 9.1974 9.7526 9.7526 11.9229 11.9229 k = 0.5583 0.1203 0.2994 ( 8432 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0932 -36.0932 -36.0930 -36.0930 -35.8077 -35.8077 -35.8074 -35.8074 -35.8030 -35.8030 -35.8028 -35.8028 -7.9037 -7.9037 -7.9018 -7.9018 -7.4522 -7.4522 -7.4403 -7.4403 -7.4354 -7.4354 0.0477 0.0477 2.3093 2.3093 4.7743 4.7743 5.9816 5.9816 7.5539 7.5539 9.3312 9.3312 9.9291 9.9291 11.8417 11.8417 k = 0.5625 0.1083 0.3062 ( 8432 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0932 -36.0932 -36.0930 -36.0930 -35.8078 -35.8078 -35.8075 -35.8075 -35.8028 -35.8028 -35.8027 -35.8027 -7.9036 -7.9036 -7.9018 -7.9018 -7.4521 -7.4521 -7.4402 -7.4402 -7.4355 -7.4355 0.0781 0.0781 2.3413 2.3413 4.6238 4.6238 5.9181 5.9181 7.5124 7.5124 9.4682 9.4682 10.1037 10.1037 11.7065 11.7065 k = 0.5667 0.0962 0.3130 ( 8430 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0933 -36.0933 -36.0930 -36.0930 -35.8080 -35.8080 -35.8077 -35.8077 -35.8027 -35.8027 -35.8025 -35.8025 -7.9036 -7.9036 -7.9018 -7.9018 -7.4521 -7.4521 -7.4400 -7.4400 -7.4356 -7.4356 0.1101 0.1101 2.3751 2.3751 4.4766 4.4766 5.8563 5.8563 7.4713 7.4713 9.6079 9.6079 10.2757 10.2757 11.5600 11.5600 k = 0.5708 0.0842 0.3198 ( 8430 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0933 -36.0933 -36.0930 -36.0930 -35.8081 -35.8081 -35.8078 -35.8078 -35.8026 -35.8026 -35.8024 -35.8024 -7.9035 -7.9035 -7.9018 -7.9018 -7.4520 -7.4520 -7.4399 -7.4399 -7.4357 -7.4357 0.1434 0.1434 2.4104 2.4104 4.3333 4.3333 5.7966 5.7966 7.4308 7.4308 9.7502 9.7502 10.4430 10.4430 11.4137 11.4137 k = 0.5750 0.0722 0.3266 ( 8436 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0933 -36.0933 -36.0930 -36.0930 -35.8083 -35.8083 -35.8079 -35.8079 -35.8025 -35.8025 -35.8022 -35.8022 -7.9035 -7.9035 -7.9018 -7.9018 -7.4520 -7.4520 -7.4397 -7.4397 -7.4357 -7.4357 0.1780 0.1780 2.4472 2.4472 4.1942 4.1942 5.7389 5.7389 7.3911 7.3911 9.8946 9.8946 10.6010 10.6010 11.2750 11.2750 k = 0.5792 0.0601 0.3334 ( 8436 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0934 -36.0934 -36.0930 -36.0930 -35.8084 -35.8084 -35.8080 -35.8080 -35.8024 -35.8024 -35.8021 -35.8021 -7.9034 -7.9034 -7.9017 -7.9017 -7.4520 -7.4520 -7.4396 -7.4396 -7.4358 -7.4358 0.2136 0.2136 2.4849 2.4849 4.0600 4.0600 5.6834 5.6834 7.3525 7.3525 10.0409 10.0409 10.7331 10.7331 11.1614 11.1614 k = 0.5833 0.0481 0.3402 ( 8436 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0934 -36.0934 -36.0929 -36.0929 -35.8086 -35.8086 -35.8080 -35.8080 -35.8023 -35.8023 -35.8019 -35.8019 -7.9034 -7.9034 -7.9017 -7.9017 -7.4519 -7.4519 -7.4395 -7.4395 -7.4359 -7.4359 0.2499 0.2499 2.5234 2.5234 3.9314 3.9314 5.6301 5.6301 7.3152 7.3152 10.1886 10.1886 10.7802 10.7802 11.1323 11.1323 k = 0.5875 0.0361 0.3470 ( 8446 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0934 -36.0934 -36.0929 -36.0929 -35.8087 -35.8087 -35.8081 -35.8081 -35.8022 -35.8022 -35.8018 -35.8018 -7.9033 -7.9033 -7.9017 -7.9017 -7.4519 -7.4519 -7.4393 -7.4393 -7.4359 -7.4359 0.2866 0.2866 2.5618 2.5618 3.8094 3.8094 5.5792 5.5792 7.2792 7.2792 10.3372 10.3372 10.7061 10.7061 11.2235 11.2235 k = 0.5917 0.0241 0.3538 ( 8444 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0935 -36.0935 -36.0929 -36.0929 -35.8088 -35.8088 -35.8082 -35.8082 -35.8022 -35.8022 -35.8016 -35.8016 -7.9033 -7.9033 -7.9016 -7.9016 -7.4519 -7.4519 -7.4392 -7.4392 -7.4360 -7.4360 0.3234 0.3234 2.5992 2.5992 3.6953 3.6953 5.5307 5.5307 7.2448 7.2448 10.4857 10.4857 10.5842 10.5842 11.3617 11.3617 k = 0.5958 0.0120 0.3606 ( 8438 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0935 -36.0935 -36.0928 -36.0928 -35.8090 -35.8090 -35.8082 -35.8082 -35.8021 -35.8021 -35.8015 -35.8015 -7.9033 -7.9033 -7.9016 -7.9016 -7.4519 -7.4519 -7.4391 -7.4391 -7.4360 -7.4360 0.3599 0.3599 2.6344 2.6344 3.5910 3.5910 5.4846 5.4846 7.2120 7.2120 10.4493 10.4493 10.6349 10.6349 11.5096 11.5096 k = 0.6000-0.0000 0.3674 ( 8442 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0936 -36.0936 -36.0928 -36.0928 -35.8091 -35.8091 -35.8083 -35.8083 -35.8021 -35.8021 -35.8014 -35.8014 -7.9033 -7.9033 -7.9016 -7.9016 -7.4518 -7.4518 -7.4390 -7.4390 -7.4361 -7.4361 0.3955 0.3955 2.6652 2.6652 3.4990 3.4990 5.4409 5.4409 7.1811 7.1811 10.3126 10.3126 10.7814 10.7814 11.6571 11.6571 k = 0.6042-0.0120 0.3742 ( 8448 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0936 -36.0936 -36.0928 -36.0928 -35.8092 -35.8092 -35.8083 -35.8083 -35.8020 -35.8020 -35.8012 -35.8012 -7.9033 -7.9033 -7.9015 -7.9015 -7.4518 -7.4518 -7.4389 -7.4389 -7.4361 -7.4361 0.4297 0.4297 2.6889 2.6889 3.4226 3.4226 5.3998 5.3998 7.1519 7.1519 10.1758 10.1758 10.9249 10.9249 11.7995 11.7995 k = 0.6083-0.0241 0.3810 ( 8452 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0937 -36.0937 -36.0927 -36.0927 -35.8094 -35.8094 -35.8083 -35.8083 -35.8020 -35.8020 -35.8011 -35.8011 -7.9033 -7.9033 -7.9015 -7.9015 -7.4518 -7.4518 -7.4388 -7.4388 -7.4361 -7.4361 0.4618 0.4618 2.7021 2.7021 3.3660 3.3660 5.3612 5.3612 7.1248 7.1248 10.0402 10.0402 11.0631 11.0631 11.9331 11.9331 k = 0.6125-0.0361 0.3878 ( 8457 PWs) bands (ev): -69.1391 -69.1391 -69.1389 -69.1389 -39.9441 -39.9441 -36.0937 -36.0937 -36.0927 -36.0927 -35.8095 -35.8095 -35.8083 -35.8083 -35.8020 -35.8020 -35.8010 -35.8010 -7.9032 -7.9032 -7.9015 -7.9015 -7.4518 -7.4518 -7.4387 -7.4387 -7.4361 -7.4361 0.4909 0.4909 2.7021 2.7021 3.3327 3.3327 5.3252 5.3252 7.0996 7.0996 9.9063 9.9063 11.1933 11.1933 12.0537 12.0537 k = 0.6167-0.0481 0.3946 ( 8455 PWs) bands (ev): -69.1392 -69.1392 -69.1389 -69.1389 -39.9441 -39.9441 -36.0938 -36.0938 -36.0926 -36.0926 -35.8096 -35.8096 -35.8083 -35.8083 -35.8020 -35.8020 -35.8009 -35.8009 -7.9033 -7.9033 -7.9014 -7.9014 -7.4518 -7.4518 -7.4386 -7.4386 -7.4361 -7.4361 0.5163 0.5163 2.6886 2.6886 3.3237 3.3237 5.2917 5.2917 7.0766 7.0766 9.7747 9.7747 11.3122 11.3122 12.1571 12.1571 k = 0.6208-0.0601 0.4014 ( 8450 PWs) bands (ev): -69.1392 -69.1392 -69.1389 -69.1389 -39.9441 -39.9441 -36.0938 -36.0938 -36.0926 -36.0926 -35.8097 -35.8097 -35.8083 -35.8083 -35.8020 -35.8020 -35.8008 -35.8008 -7.9033 -7.9033 -7.9014 -7.9014 -7.4518 -7.4518 -7.4386 -7.4386 -7.4361 -7.4361 0.5368 0.5368 2.6651 2.6651 3.3367 3.3367 5.2609 5.2609 7.0557 7.0557 9.6453 9.6453 11.4161 11.4161 12.2393 12.2393 k = 0.6250-0.0722 0.4082 ( 8428 PWs) bands (ev): -69.1392 -69.1392 -69.1389 -69.1389 -39.9441 -39.9441 -36.0939 -36.0939 -36.0925 -36.0925 -35.8098 -35.8098 -35.8083 -35.8083 -35.8020 -35.8020 -35.8007 -35.8007 -7.9033 -7.9033 -7.9014 -7.9014 -7.4519 -7.4519 -7.4385 -7.4385 -7.4361 -7.4361 0.5517 0.5517 2.6368 2.6368 3.3673 3.3673 5.2327 5.2327 7.0369 7.0369 9.5184 9.5184 11.5021 11.5021 12.2983 12.2983 k = 0.6250-0.0722 0.4082 ( 8428 PWs) bands (ev): -69.1392 -69.1392 -69.1389 -69.1389 -39.9441 -39.9441 -36.0939 -36.0939 -36.0925 -36.0925 -35.8098 -35.8098 -35.8083 -35.8083 -35.8020 -35.8020 -35.8007 -35.8007 -7.9033 -7.9033 -7.9014 -7.9014 -7.4519 -7.4519 -7.4385 -7.4385 -7.4361 -7.4361 0.5517 0.5517 2.6368 2.6368 3.3673 3.3673 5.2327 5.2327 7.0369 7.0369 9.5184 9.5184 11.5021 11.5021 12.2983 12.2983 k = 0.6176-0.0679 0.4203 ( 8450 PWs) bands (ev): -69.1392 -69.1392 -69.1389 -69.1389 -39.9441 -39.9441 -36.0939 -36.0939 -36.0925 -36.0925 -35.8098 -35.8098 -35.8083 -35.8083 -35.8020 -35.8020 -35.8007 -35.8007 -7.9033 -7.9033 -7.9014 -7.9014 -7.4519 -7.4519 -7.4385 -7.4385 -7.4361 -7.4361 0.5523 0.5523 2.6383 2.6383 3.3672 3.3672 5.2187 5.2187 7.0550 7.0550 9.5197 9.5197 11.4744 11.4744 12.3269 12.3269 k = 0.6103-0.0637 0.4323 ( 8460 PWs) bands (ev): -69.1392 -69.1392 -69.1389 -69.1389 -39.9441 -39.9441 -36.0939 -36.0939 -36.0925 -36.0925 -35.8098 -35.8098 -35.8083 -35.8083 -35.8020 -35.8020 -35.8007 -35.8007 -7.9033 -7.9033 -7.9014 -7.9014 -7.4519 -7.4519 -7.4385 -7.4385 -7.4361 -7.4361 0.5543 0.5543 2.6427 2.6427 3.3671 3.3671 5.1784 5.1784 7.1076 7.1076 9.5236 9.5236 11.4009 11.4009 12.4023 12.4023 k = 0.6029-0.0594 0.4443 ( 8459 PWs) bands (ev): -69.1392 -69.1392 -69.1389 -69.1389 -39.9441 -39.9441 -36.0939 -36.0939 -36.0925 -36.0925 -35.8098 -35.8098 -35.8083 -35.8083 -35.8020 -35.8020 -35.8007 -35.8007 -7.9033 -7.9033 -7.9014 -7.9014 -7.4518 -7.4518 -7.4385 -7.4385 -7.4361 -7.4361 0.5576 0.5576 2.6501 2.6501 3.3666 3.3666 5.1163 5.1163 7.1901 7.1901 9.5301 9.5301 11.2992 11.2992 12.3310 12.3310 k = 0.5956-0.0552 0.4563 ( 8459 PWs) bands (ev): -69.1392 -69.1392 -69.1389 -69.1389 -39.9441 -39.9441 -36.0939 -36.0939 -36.0926 -36.0926 -35.8098 -35.8098 -35.8084 -35.8084 -35.8020 -35.8020 -35.8007 -35.8007 -7.9032 -7.9032 -7.9014 -7.9014 -7.4518 -7.4518 -7.4385 -7.4385 -7.4362 -7.4362 0.5620 0.5620 2.6604 2.6604 3.3657 3.3657 5.0381 5.0381 7.2972 7.2972 9.5394 9.5394 11.1823 11.1823 12.1901 12.1901 k = 0.5882-0.0509 0.4683 ( 8453 PWs) bands (ev): -69.1392 -69.1392 -69.1389 -69.1389 -39.9441 -39.9441 -36.0938 -36.0938 -36.0926 -36.0926 -35.8098 -35.8098 -35.8084 -35.8084 -35.8019 -35.8019 -35.8007 -35.8007 -7.9032 -7.9032 -7.9014 -7.9014 -7.4518 -7.4518 -7.4384 -7.4384 -7.4362 -7.4362 0.5676 0.5676 2.6737 2.6737 3.3640 3.3640 4.9494 4.9494 7.4233 7.4233 9.5513 9.5513 11.0578 11.0578 12.0403 12.0403 k = 0.5809-0.0467 0.4803 ( 8455 PWs) bands (ev): -69.1392 -69.1392 -69.1389 -69.1389 -39.9441 -39.9441 -36.0938 -36.0938 -36.0926 -36.0926 -35.8097 -35.8097 -35.8084 -35.8084 -35.8019 -35.8019 -35.8007 -35.8007 -7.9032 -7.9032 -7.9014 -7.9014 -7.4518 -7.4518 -7.4384 -7.4384 -7.4363 -7.4363 0.5743 0.5743 2.6899 2.6899 3.3609 3.3609 4.8550 4.8550 7.5641 7.5641 9.5662 9.5662 10.9299 10.9299 11.8862 11.8862 k = 0.5735-0.0425 0.4923 ( 8446 PWs) bands (ev): -69.1391 -69.1391 -69.1389 -69.1389 -39.9441 -39.9441 -36.0938 -36.0938 -36.0926 -36.0926 -35.8097 -35.8097 -35.8085 -35.8085 -35.8019 -35.8019 -35.8008 -35.8008 -7.9032 -7.9032 -7.9014 -7.9014 -7.4518 -7.4518 -7.4383 -7.4383 -7.4363 -7.4363 0.5819 0.5819 2.7090 2.7090 3.3560 3.3560 4.7588 4.7588 7.7158 7.7158 9.5841 9.5841 10.8010 10.8010 11.7302 11.7302 k = 0.5662-0.0382 0.5043 ( 8456 PWs) bands (ev): -69.1391 -69.1391 -69.1389 -69.1389 -39.9441 -39.9441 -36.0937 -36.0937 -36.0927 -36.0927 -35.8097 -35.8097 -35.8085 -35.8085 -35.8018 -35.8018 -35.8008 -35.8008 -7.9032 -7.9032 -7.9014 -7.9014 -7.4518 -7.4518 -7.4383 -7.4383 -7.4364 -7.4364 0.5902 0.5902 2.7311 2.7311 3.3484 3.3484 4.6643 4.6643 7.8753 7.8753 9.6053 9.6053 10.6731 10.6731 11.5738 11.5738 k = 0.5588-0.0340 0.5163 ( 8453 PWs) bands (ev): -69.1391 -69.1391 -69.1389 -69.1389 -39.9441 -39.9441 -36.0937 -36.0937 -36.0927 -36.0927 -35.8096 -35.8096 -35.8086 -35.8086 -35.8018 -35.8018 -35.8008 -35.8008 -7.9031 -7.9031 -7.9014 -7.9014 -7.4517 -7.4517 -7.4382 -7.4382 -7.4365 -7.4365 0.5991 0.5991 2.7560 2.7560 3.3373 3.3373 4.5742 4.5742 8.0400 8.0400 9.6302 9.6302 10.5474 10.5474 11.4177 11.4177 k = 0.5515-0.0297 0.5283 ( 8448 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0937 -36.0937 -36.0928 -36.0928 -35.8096 -35.8096 -35.8086 -35.8086 -35.8017 -35.8017 -35.8009 -35.8009 -7.9031 -7.9031 -7.9014 -7.9014 -7.4517 -7.4517 -7.4381 -7.4381 -7.4366 -7.4366 0.6084 0.6084 2.7839 2.7839 3.3217 3.3217 4.4910 4.4910 8.2072 8.2072 9.6591 9.6591 10.4254 10.4254 11.2627 11.2627 k = 0.5441-0.0255 0.5403 ( 8447 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0936 -36.0936 -36.0928 -36.0928 -35.8095 -35.8095 -35.8087 -35.8087 -35.8017 -35.8017 -35.8009 -35.8009 -7.9031 -7.9031 -7.9015 -7.9015 -7.4517 -7.4517 -7.4380 -7.4380 -7.4367 -7.4367 0.6177 0.6177 2.8146 2.8146 3.3007 3.3007 4.4170 4.4170 8.3739 8.3739 9.6929 9.6929 10.3090 10.3090 11.1092 11.1092 k = 0.5368-0.0212 0.5523 ( 8455 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0936 -36.0936 -36.0929 -36.0929 -35.8095 -35.8095 -35.8087 -35.8087 -35.8016 -35.8016 -35.8010 -35.8010 -7.9031 -7.9031 -7.9015 -7.9015 -7.4517 -7.4517 -7.4380 -7.4380 -7.4368 -7.4368 0.6268 0.6268 2.8482 2.8482 3.2736 3.2736 4.3539 4.3539 8.5360 8.5360 9.7321 9.7321 10.2008 10.2008 10.9573 10.9573 k = 0.5294-0.0170 0.5643 ( 8444 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0935 -36.0935 -36.0929 -36.0929 -35.8094 -35.8094 -35.8088 -35.8088 -35.8016 -35.8016 -35.8010 -35.8010 -7.9030 -7.9030 -7.9015 -7.9015 -7.4517 -7.4517 -7.4379 -7.4379 -7.4369 -7.4369 0.6353 0.6353 2.8846 2.8846 3.2402 3.2402 4.3027 4.3027 8.6882 8.6882 9.7766 9.7766 10.1064 10.1064 10.8074 10.8074 k = 0.5221-0.0127 0.5764 ( 8438 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0934 -36.0934 -36.0930 -36.0930 -35.8094 -35.8094 -35.8089 -35.8089 -35.8015 -35.8015 -35.8011 -35.8011 -7.9030 -7.9030 -7.9015 -7.9015 -7.4517 -7.4517 -7.4378 -7.4378 -7.4370 -7.4370 0.6427 0.6427 2.9238 2.9238 3.2010 3.2010 4.2641 4.2641 8.8225 8.8225 9.8203 9.8203 10.0393 10.0393 10.6596 10.6596 k = 0.5147-0.0085 0.5884 ( 8432 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0934 -36.0934 -36.0931 -36.0931 -35.8093 -35.8093 -35.8089 -35.8089 -35.8014 -35.8014 -35.8011 -35.8011 -7.9030 -7.9030 -7.9015 -7.9015 -7.4516 -7.4516 -7.4377 -7.4377 -7.4370 -7.4370 0.6487 0.6487 2.9656 2.9656 3.1570 3.1570 4.2377 4.2377 8.9286 8.9286 9.8383 9.8383 10.0343 10.0343 10.5141 10.5141 k = 0.5074-0.0042 0.6004 ( 8432 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0933 -36.0933 -36.0931 -36.0931 -35.8092 -35.8092 -35.8090 -35.8090 -35.8014 -35.8014 -35.8012 -35.8012 -7.9030 -7.9030 -7.9015 -7.9015 -7.4516 -7.4516 -7.4376 -7.4376 -7.4371 -7.4371 0.6527 0.6527 3.0097 3.0097 3.1102 3.1102 4.2227 4.2227 8.9956 8.9956 9.8250 9.8250 10.1080 10.1080 10.3710 10.3710 k = 0.5000-0.0000 0.6124 ( 8432 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0933 -36.0933 -36.0932 -36.0932 -35.8092 -35.8092 -35.8090 -35.8090 -35.8013 -35.8013 -35.8013 -35.8013 -7.9030 -7.9030 -7.9015 -7.9015 -7.4516 -7.4516 -7.4376 -7.4376 -7.4371 -7.4371 0.6541 0.6541 3.0456 3.0456 3.0729 3.0729 4.2180 4.2180 9.0177 9.0177 9.8162 9.8162 10.2261 10.2261 10.2343 10.2343 k = 0.5000-0.0000 0.6124 ( 8432 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0933 -36.0933 -36.0932 -36.0932 -35.8092 -35.8092 -35.8090 -35.8090 -35.8013 -35.8013 -35.8013 -35.8013 -7.9030 -7.9030 -7.9015 -7.9015 -7.4516 -7.4516 -7.4376 -7.4376 -7.4371 -7.4371 0.6541 0.6541 3.0456 3.0456 3.0729 3.0729 4.2180 4.2180 9.0177 9.0177 9.8162 9.8162 10.2261 10.2261 10.2343 10.2343 k = 0.5000 0.0085 0.6004 ( 8430 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0933 -36.0933 -36.0932 -36.0932 -35.8092 -35.8092 -35.8090 -35.8090 -35.8013 -35.8013 -35.8013 -35.8013 -7.9030 -7.9030 -7.9015 -7.9015 -7.4516 -7.4516 -7.4376 -7.4376 -7.4371 -7.4371 0.6512 0.6512 3.0450 3.0450 3.0744 3.0744 4.2251 4.2251 9.0117 9.0117 9.7977 9.7977 10.2373 10.2373 10.2526 10.2526 k = 0.5000 0.0170 0.5884 ( 8432 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0933 -36.0933 -36.0932 -36.0932 -35.8092 -35.8092 -35.8090 -35.8090 -35.8013 -35.8013 -35.8013 -35.8013 -7.9030 -7.9030 -7.9015 -7.9015 -7.4516 -7.4516 -7.4377 -7.4377 -7.4370 -7.4370 0.6425 0.6425 3.0358 3.0358 3.0865 3.0865 4.2459 4.2459 8.9941 8.9941 9.7505 9.7505 10.2637 10.2637 10.3057 10.3057 k = 0.5000 0.0255 0.5764 ( 8444 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0933 -36.0933 -36.0932 -36.0932 -35.8092 -35.8092 -35.8090 -35.8090 -35.8013 -35.8013 -35.8013 -35.8013 -7.9030 -7.9030 -7.9015 -7.9015 -7.4516 -7.4516 -7.4378 -7.4378 -7.4370 -7.4370 0.6283 0.6283 3.0147 3.0147 3.1132 3.1132 4.2794 4.2794 8.9664 8.9664 9.6879 9.6879 10.3051 10.3051 10.3794 10.3794 k = 0.5000 0.0340 0.5643 ( 8444 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0932 -36.0932 -36.0932 -36.0932 -35.8091 -35.8091 -35.8090 -35.8090 -35.8014 -35.8014 -35.8013 -35.8013 -7.9030 -7.9030 -7.9015 -7.9015 -7.4517 -7.4517 -7.4379 -7.4379 -7.4369 -7.4369 0.6089 0.6089 2.9852 2.9852 3.1521 3.1521 4.3241 4.3241 8.9305 8.9305 9.6184 9.6184 10.3601 10.3601 10.4645 10.4645 k = 0.5000 0.0425 0.5523 ( 8448 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0932 -36.0932 -36.0932 -36.0932 -35.8091 -35.8091 -35.8089 -35.8089 -35.8014 -35.8014 -35.8014 -35.8014 -7.9030 -7.9030 -7.9015 -7.9015 -7.4517 -7.4517 -7.4380 -7.4380 -7.4368 -7.4368 0.5851 0.5851 2.9496 2.9496 3.2017 3.2017 4.3787 4.3787 8.8882 8.8882 9.5460 9.5460 10.4268 10.4268 10.5569 10.5569 k = 0.5000 0.0509 0.5403 ( 8448 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0932 -36.0932 -36.0932 -36.0932 -35.8091 -35.8091 -35.8089 -35.8089 -35.8014 -35.8014 -35.8014 -35.8014 -7.9030 -7.9030 -7.9016 -7.9016 -7.4517 -7.4517 -7.4382 -7.4382 -7.4367 -7.4367 0.5573 0.5573 2.9096 2.9096 3.2612 3.2612 4.4415 4.4415 8.8413 8.8413 9.4730 9.4730 10.5034 10.5034 10.6543 10.6543 k = 0.5000 0.0594 0.5283 ( 8448 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0932 -36.0932 -36.0932 -36.0932 -35.8090 -35.8090 -35.8088 -35.8088 -35.8015 -35.8015 -35.8015 -35.8015 -7.9031 -7.9031 -7.9016 -7.9016 -7.4517 -7.4517 -7.4383 -7.4383 -7.4366 -7.4366 0.5263 0.5263 2.8665 2.8665 3.3299 3.3299 4.5114 4.5114 8.7915 8.7915 9.4003 9.4003 10.5885 10.5885 10.7557 10.7557 k = 0.5000 0.0679 0.5163 ( 8446 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0932 -36.0932 -36.0932 -36.0932 -35.8089 -35.8089 -35.8088 -35.8088 -35.8016 -35.8016 -35.8015 -35.8015 -7.9031 -7.9031 -7.9016 -7.9016 -7.4517 -7.4517 -7.4385 -7.4385 -7.4365 -7.4365 0.4926 0.4926 2.8215 2.8215 3.4070 3.4070 4.5871 4.5871 8.7398 8.7398 9.3287 9.3287 10.6807 10.6807 10.8605 10.8605 k = 0.5000 0.0764 0.5043 ( 8446 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0932 -36.0932 -36.0932 -36.0932 -35.8089 -35.8089 -35.8087 -35.8087 -35.8016 -35.8016 -35.8016 -35.8016 -7.9031 -7.9031 -7.9016 -7.9016 -7.4517 -7.4517 -7.4386 -7.4386 -7.4364 -7.4364 0.4569 0.4569 2.7753 2.7753 3.4920 3.4920 4.6678 4.6678 8.6872 8.6872 9.2583 9.2583 10.7792 10.7792 10.9681 10.9681 k = 0.5000 0.0849 0.4923 ( 8448 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0932 -36.0932 -36.0931 -36.0931 -35.8088 -35.8088 -35.8086 -35.8086 -35.8017 -35.8017 -35.8017 -35.8017 -7.9031 -7.9031 -7.9016 -7.9016 -7.4518 -7.4518 -7.4387 -7.4387 -7.4363 -7.4363 0.4197 0.4197 2.7287 2.7287 3.5841 3.5841 4.7528 4.7528 8.6344 8.6344 9.1894 9.1894 10.8832 10.8832 11.0782 11.0782 k = 0.5000 0.0934 0.4803 ( 8446 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0932 -36.0932 -36.0931 -36.0931 -35.8087 -35.8087 -35.8086 -35.8086 -35.8018 -35.8018 -35.8018 -35.8018 -7.9032 -7.9032 -7.9017 -7.9017 -7.4518 -7.4518 -7.4389 -7.4389 -7.4362 -7.4362 0.3815 0.3815 2.6823 2.6823 3.6830 3.6830 4.8414 4.8414 8.5820 8.5820 9.1221 9.1221 10.9920 10.9920 11.1907 11.1907 k = 0.5000 0.1019 0.4683 ( 8452 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0932 -36.0932 -36.0931 -36.0931 -35.8086 -35.8086 -35.8085 -35.8085 -35.8019 -35.8019 -35.8019 -35.8019 -7.9032 -7.9032 -7.9017 -7.9017 -7.4518 -7.4518 -7.4391 -7.4391 -7.4362 -7.4362 0.3429 0.3429 2.6364 2.6364 3.7881 3.7881 4.9331 4.9331 8.5305 8.5305 9.0565 9.0565 11.1053 11.1053 11.3052 11.3052 k = 0.5000 0.1104 0.4563 ( 8446 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0932 -36.0932 -36.0931 -36.0931 -35.8085 -35.8085 -35.8084 -35.8084 -35.8020 -35.8020 -35.8020 -35.8020 -7.9033 -7.9033 -7.9017 -7.9017 -7.4519 -7.4519 -7.4392 -7.4392 -7.4361 -7.4361 0.3042 0.3042 2.5913 2.5913 3.8989 3.8989 5.0275 5.0275 8.4802 8.4802 8.9926 8.9926 11.2223 11.2223 11.4215 11.4215 k = 0.5000 0.1189 0.4443 ( 8442 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0932 -36.0932 -36.0931 -36.0931 -35.8084 -35.8084 -35.8083 -35.8083 -35.8021 -35.8021 -35.8021 -35.8021 -7.9033 -7.9033 -7.9017 -7.9017 -7.4519 -7.4519 -7.4394 -7.4394 -7.4360 -7.4360 0.2658 0.2658 2.5474 2.5474 4.0151 4.0151 5.1241 5.1241 8.4313 8.4313 8.9303 8.9303 11.3422 11.3422 11.5382 11.5382 k = 0.5000 0.1274 0.4323 ( 8440 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0932 -36.0932 -36.0931 -36.0931 -35.8083 -35.8083 -35.8082 -35.8082 -35.8022 -35.8022 -35.8022 -35.8022 -7.9034 -7.9034 -7.9018 -7.9018 -7.4519 -7.4519 -7.4395 -7.4395 -7.4359 -7.4359 0.2279 0.2279 2.5049 2.5049 4.1363 4.1363 5.2227 5.2227 8.3840 8.3840 8.8697 8.8697 11.4255 11.4255 11.4915 11.4915 k = 0.5000 0.1358 0.4203 ( 8432 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0932 -36.0932 -36.0931 -36.0931 -35.8082 -35.8082 -35.8080 -35.8080 -35.8023 -35.8023 -35.8023 -35.8023 -7.9034 -7.9034 -7.9018 -7.9018 -7.4520 -7.4520 -7.4397 -7.4397 -7.4358 -7.4358 0.1909 0.1909 2.4640 2.4640 4.2623 4.2623 5.3228 5.3228 8.3386 8.3386 8.8107 8.8107 11.2147 11.2147 11.6006 11.6006 k = 0.5000 0.1443 0.4082 ( 8440 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0932 -36.0932 -36.0931 -36.0931 -35.8081 -35.8081 -35.8079 -35.8079 -35.8025 -35.8025 -35.8024 -35.8024 -7.9035 -7.9035 -7.9018 -7.9018 -7.4520 -7.4520 -7.4398 -7.4398 -7.4357 -7.4357 0.1550 0.1550 2.4247 2.4247 4.3926 4.3926 5.4240 5.4240 8.2951 8.2951 8.7532 8.7532 10.9865 10.9865 11.7308 11.7308 k = 0.5000 0.1528 0.3962 ( 8430 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0932 -36.0932 -36.0931 -36.0931 -35.8079 -35.8079 -35.8078 -35.8078 -35.8026 -35.8026 -35.8025 -35.8025 -7.9035 -7.9035 -7.9018 -7.9018 -7.4521 -7.4521 -7.4400 -7.4400 -7.4356 -7.4356 0.1204 0.1204 2.3873 2.3873 4.5272 4.5272 5.5262 5.5262 8.2536 8.2536 8.6972 8.6972 10.7588 10.7588 11.8646 11.8646 k = 0.5000 0.1613 0.3842 ( 8440 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0932 -36.0932 -36.0931 -36.0931 -35.8078 -35.8078 -35.8076 -35.8076 -35.8027 -35.8027 -35.8027 -35.8027 -7.9036 -7.9036 -7.9018 -7.9018 -7.4521 -7.4521 -7.4401 -7.4401 -7.4356 -7.4356 0.0873 0.0873 2.3518 2.3518 4.6656 4.6656 5.6287 5.6287 8.2142 8.2142 8.6426 8.6426 10.5325 10.5325 12.0013 12.0013 k = 0.5000 0.1698 0.3722 ( 8446 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0932 -36.0932 -36.0931 -36.0931 -35.8076 -35.8076 -35.8075 -35.8075 -35.8029 -35.8029 -35.8028 -35.8028 -7.9036 -7.9036 -7.9018 -7.9018 -7.4522 -7.4522 -7.4402 -7.4402 -7.4355 -7.4355 0.0558 0.0558 2.3183 2.3183 4.8078 4.8078 5.7314 5.7314 8.1770 8.1770 8.5892 8.5892 10.3081 10.3081 12.0966 12.0966 k = 0.5000 0.1783 0.3602 ( 8450 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0932 -36.0932 -36.0931 -36.0931 -35.8075 -35.8075 -35.8074 -35.8074 -35.8030 -35.8030 -35.8030 -35.8030 -7.9037 -7.9037 -7.9018 -7.9018 -7.4522 -7.4522 -7.4404 -7.4404 -7.4354 -7.4354 0.0260 0.0260 2.2868 2.2868 4.9534 4.9534 5.8337 5.8337 8.1419 8.1419 8.5370 8.5370 10.0861 10.0861 12.0285 12.0285 k = 0.5000 0.1868 0.3482 ( 8456 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0932 -36.0932 -36.0931 -36.0931 -35.8073 -35.8073 -35.8072 -35.8072 -35.8032 -35.8032 -35.8031 -35.8031 -7.9038 -7.9038 -7.9019 -7.9019 -7.4523 -7.4523 -7.4405 -7.4405 -7.4353 -7.4353 -0.0020 -0.0020 2.2575 2.2575 5.1022 5.1022 5.9351 5.9351 8.1089 8.1089 8.4860 8.4860 9.8667 9.8667 11.9232 11.9232 k = 0.5000 0.1953 0.3362 ( 8456 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0931 -36.0931 -36.0931 -36.0931 -35.8072 -35.8072 -35.8071 -35.8071 -35.8033 -35.8033 -35.8033 -35.8033 -7.9038 -7.9038 -7.9019 -7.9019 -7.4523 -7.4523 -7.4406 -7.4406 -7.4353 -7.4353 -0.0280 -0.0280 2.2304 2.2304 5.2539 5.2539 6.0351 6.0351 8.0781 8.0781 8.4361 8.4361 9.6505 9.6505 11.8093 11.8093 k = 0.5000 0.2038 0.3242 ( 8456 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0931 -36.0931 -36.0931 -36.0931 -35.8070 -35.8070 -35.8069 -35.8069 -35.8035 -35.8035 -35.8034 -35.8034 -7.9039 -7.9039 -7.9019 -7.9019 -7.4524 -7.4524 -7.4407 -7.4407 -7.4352 -7.4352 -0.0519 -0.0519 2.2056 2.2056 5.4082 5.4082 6.1330 6.1330 8.0492 8.0492 8.3874 8.3874 9.4377 9.4377 11.6965 11.6965 k = 0.5000 0.2123 0.3122 ( 8456 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0931 -36.0931 -36.0931 -36.0931 -35.8069 -35.8069 -35.8067 -35.8067 -35.8037 -35.8037 -35.8036 -35.8036 -7.9039 -7.9039 -7.9019 -7.9019 -7.4524 -7.4524 -7.4408 -7.4408 -7.4351 -7.4351 -0.0738 -0.0738 2.1830 2.1830 5.5647 5.5647 6.2281 6.2281 8.0221 8.0221 8.3398 8.3398 9.2292 9.2292 11.5887 11.5887 k = 0.5000 0.2208 0.3002 ( 8452 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0931 -36.0931 -36.0931 -36.0931 -35.8067 -35.8067 -35.8066 -35.8066 -35.8038 -35.8038 -35.8038 -35.8038 -7.9040 -7.9040 -7.9019 -7.9019 -7.4525 -7.4525 -7.4409 -7.4409 -7.4351 -7.4351 -0.0935 -0.0935 2.1627 2.1627 5.7228 5.7228 6.3195 6.3195 7.9964 7.9964 8.2937 8.2937 9.0258 9.0258 11.4881 11.4881 k = 0.5000 0.2292 0.2882 ( 8452 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0931 -36.0931 -36.0931 -36.0931 -35.8065 -35.8065 -35.8064 -35.8064 -35.8040 -35.8040 -35.8039 -35.8039 -7.9040 -7.9040 -7.9019 -7.9019 -7.4525 -7.4525 -7.4410 -7.4410 -7.4350 -7.4350 -0.1110 -0.1110 2.1447 2.1447 5.8819 5.8819 6.4061 6.4061 7.9715 7.9715 8.2493 8.2493 8.8290 8.8290 11.3962 11.3962 k = 0.5000 0.2377 0.2762 ( 8452 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0931 -36.0931 -36.0931 -36.0931 -35.8063 -35.8063 -35.8062 -35.8062 -35.8042 -35.8042 -35.8041 -35.8041 -7.9040 -7.9040 -7.9019 -7.9019 -7.4525 -7.4525 -7.4410 -7.4410 -7.4350 -7.4350 -0.1262 -0.1262 2.1291 2.1291 6.0407 6.0407 6.4868 6.4868 7.9461 7.9461 8.2072 8.2072 8.6410 8.6410 11.3142 11.3142 k = 0.5000 0.2462 0.2642 ( 8450 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0931 -36.0931 -36.0931 -36.0931 -35.8062 -35.8062 -35.8061 -35.8061 -35.8044 -35.8044 -35.8043 -35.8043 -7.9041 -7.9041 -7.9019 -7.9019 -7.4526 -7.4526 -7.4411 -7.4411 -7.4349 -7.4349 -0.1392 -0.1392 2.1159 2.1159 6.1976 6.1976 6.5601 6.5601 7.9176 7.9176 8.1683 8.1683 8.4661 8.4661 11.2430 11.2430 k = 0.5000 0.2547 0.2522 ( 8448 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0931 -36.0931 -36.0930 -36.0930 -35.8060 -35.8060 -35.8059 -35.8059 -35.8045 -35.8045 -35.8045 -35.8045 -7.9041 -7.9041 -7.9019 -7.9019 -7.4526 -7.4526 -7.4412 -7.4412 -7.4349 -7.4349 -0.1498 -0.1498 2.1050 2.1050 6.3494 6.3494 6.6246 6.6246 7.8811 7.8811 8.1336 8.1336 8.3121 8.3121 11.1836 11.1836 k = 0.5000 0.2632 0.2401 ( 8440 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0931 -36.0931 -36.0930 -36.0930 -35.8058 -35.8058 -35.8057 -35.8057 -35.8047 -35.8047 -35.8046 -35.8046 -7.9041 -7.9041 -7.9019 -7.9019 -7.4526 -7.4526 -7.4412 -7.4412 -7.4349 -7.4349 -0.1581 -0.1581 2.0966 2.0966 6.4904 6.4904 6.6792 6.6792 7.8294 7.8294 8.1043 8.1043 8.1911 8.1911 11.1366 11.1366 k = 0.5000 0.2717 0.2281 ( 8438 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0931 -36.0931 -36.0930 -36.0930 -35.8056 -35.8056 -35.8055 -35.8055 -35.8049 -35.8049 -35.8048 -35.8048 -7.9042 -7.9042 -7.9019 -7.9019 -7.4526 -7.4526 -7.4412 -7.4412 -7.4349 -7.4349 -0.1640 -0.1640 2.0906 2.0906 6.6093 6.6093 6.7242 6.7242 7.7614 7.7614 8.0819 8.0819 8.1134 8.1134 11.1026 11.1026 k = 0.5000 0.2802 0.2161 ( 8426 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0931 -36.0931 -36.0930 -36.0930 -35.8055 -35.8055 -35.8054 -35.8054 -35.8051 -35.8051 -35.8050 -35.8050 -7.9042 -7.9042 -7.9019 -7.9019 -7.4526 -7.4526 -7.4412 -7.4412 -7.4348 -7.4348 -0.1676 -0.1676 2.0869 2.0869 6.6852 6.6852 6.7629 6.7629 7.6975 7.6975 8.0679 8.0679 8.0744 8.0744 11.0821 11.0821 k = 0.5000 0.2887 0.2041 ( 8424 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0931 -36.0931 -36.0930 -36.0930 -35.8054 -35.8054 -35.8052 -35.8052 -35.8052 -35.8052 -35.8052 -35.8052 -7.9042 -7.9042 -7.9019 -7.9019 -7.4527 -7.4527 -7.4412 -7.4412 -7.4348 -7.4348 -0.1688 -0.1688 2.0857 2.0857 6.7076 6.7076 6.7827 6.7827 7.6707 7.6707 8.0630 8.0630 8.0631 8.0631 11.0752 11.0752 k = 0.5000 0.2887 0.2041 ( 8424 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0931 -36.0931 -36.0930 -36.0930 -35.8054 -35.8054 -35.8052 -35.8052 -35.8052 -35.8052 -35.8052 -35.8052 -7.9042 -7.9042 -7.9019 -7.9019 -7.4527 -7.4527 -7.4412 -7.4412 -7.4348 -7.4348 -0.1688 -0.1688 2.0857 2.0857 6.7076 6.7076 6.7827 6.7827 7.6707 7.6707 8.0630 8.0630 8.0631 8.0631 11.0752 11.0752 k = 0.4958 0.2863 0.2177 ( 8429 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0931 -36.0931 -36.0930 -36.0930 -35.8055 -35.8055 -35.8054 -35.8054 -35.8051 -35.8051 -35.8050 -35.8050 -7.9042 -7.9042 -7.9019 -7.9019 -7.4526 -7.4526 -7.4412 -7.4412 -7.4348 -7.4348 -0.1676 -0.1676 2.0869 2.0869 6.6860 6.6860 6.7635 6.7635 7.6966 7.6966 8.0681 8.0681 8.0736 8.0736 11.0818 11.0818 k = 0.4917 0.2839 0.2313 ( 8443 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0931 -36.0931 -36.0930 -36.0930 -35.8056 -35.8056 -35.8055 -35.8055 -35.8049 -35.8049 -35.8048 -35.8048 -7.9042 -7.9042 -7.9019 -7.9019 -7.4526 -7.4526 -7.4412 -7.4412 -7.4349 -7.4349 -0.1642 -0.1642 2.0904 2.0904 6.6127 6.6127 6.7261 6.7261 7.7580 7.7580 8.0888 8.0888 8.1045 8.1045 11.1016 11.1016 k = 0.4875 0.2815 0.2449 ( 8443 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0931 -36.0931 -36.0930 -36.0930 -35.8058 -35.8058 -35.8057 -35.8057 -35.8047 -35.8047 -35.8047 -35.8047 -7.9041 -7.9041 -7.9019 -7.9019 -7.4526 -7.4526 -7.4412 -7.4412 -7.4349 -7.4349 -0.1585 -0.1585 2.0962 2.0962 6.4965 6.4965 6.6838 6.6838 7.8185 7.8185 8.1410 8.1410 8.1543 8.1543 11.1344 11.1344 k = 0.4833 0.2791 0.2586 ( 8457 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0931 -36.0931 -36.0931 -36.0931 -35.8060 -35.8060 -35.8059 -35.8059 -35.8045 -35.8045 -35.8045 -35.8045 -7.9041 -7.9041 -7.9019 -7.9019 -7.4526 -7.4526 -7.4412 -7.4412 -7.4349 -7.4349 -0.1505 -0.1505 2.1043 2.1043 6.3571 6.3571 6.6346 6.6346 7.8498 7.8498 8.2174 8.2174 8.2413 8.2413 11.1797 11.1797 k = 0.4792 0.2766 0.2722 ( 8451 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0931 -36.0931 -36.0931 -36.0931 -35.8062 -35.8062 -35.8061 -35.8061 -35.8044 -35.8044 -35.8043 -35.8043 -7.9041 -7.9041 -7.9019 -7.9019 -7.4526 -7.4526 -7.4411 -7.4411 -7.4349 -7.4349 -0.1402 -0.1402 2.1148 2.1148 6.2058 6.2058 6.5787 6.5787 7.8528 7.8528 8.2960 8.2960 8.3753 8.3753 11.2371 11.2371 k = 0.4750 0.2742 0.2858 ( 8448 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0931 -36.0931 -36.0931 -36.0931 -35.8063 -35.8063 -35.8062 -35.8062 -35.8042 -35.8042 -35.8041 -35.8041 -7.9041 -7.9041 -7.9019 -7.9019 -7.4525 -7.4525 -7.4411 -7.4411 -7.4350 -7.4350 -0.1278 -0.1278 2.1275 2.1275 6.0483 6.0483 6.5176 6.5176 7.8390 7.8390 8.3851 8.3851 8.5300 8.5300 11.3060 11.3060 k = 0.4708 0.2718 0.2994 ( 8452 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0931 -36.0931 -36.0931 -36.0931 -35.8065 -35.8065 -35.8064 -35.8064 -35.8040 -35.8040 -35.8040 -35.8040 -7.9040 -7.9040 -7.9019 -7.9019 -7.4525 -7.4525 -7.4410 -7.4410 -7.4350 -7.4350 -0.1131 -0.1131 2.1426 2.1426 5.8876 5.8876 6.4529 6.4529 7.8155 7.8155 8.4832 8.4832 8.6955 8.6955 11.3856 11.3856 k = 0.4667 0.2694 0.3130 ( 8447 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0931 -36.0931 -36.0931 -36.0931 -35.8067 -35.8067 -35.8066 -35.8066 -35.8039 -35.8039 -35.8038 -35.8038 -7.9040 -7.9040 -7.9019 -7.9019 -7.4525 -7.4525 -7.4409 -7.4409 -7.4351 -7.4351 -0.0962 -0.0962 2.1599 2.1599 5.7256 5.7256 6.3859 6.3859 7.7859 7.7859 8.5888 8.5888 8.8671 8.8671 11.4751 11.4751 k = 0.4625 0.2670 0.3266 ( 8443 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0931 -36.0931 -36.0931 -36.0931 -35.8068 -35.8068 -35.8067 -35.8067 -35.8037 -35.8037 -35.8036 -35.8036 -7.9039 -7.9039 -7.9019 -7.9019 -7.4524 -7.4524 -7.4408 -7.4408 -7.4351 -7.4351 -0.0772 -0.0772 2.1794 2.1794 5.5635 5.5635 6.3177 6.3177 7.7521 7.7521 8.7007 8.7007 9.0422 9.0422 11.5733 11.5733 k = 0.4583 0.2646 0.3402 ( 8433 PWs) bands (ev): -69.1390 -69.1390 -69.1390 -69.1390 -39.9441 -39.9441 -36.0932 -36.0932 -36.0931 -36.0931 -35.8070 -35.8070 -35.8069 -35.8069 -35.8035 -35.8035 -35.8035 -35.8035 -7.9039 -7.9039 -7.9019 -7.9019 -7.4524 -7.4524 -7.4407 -7.4407 -7.4352 -7.4352 -0.0561 -0.0561 2.2012 2.2012 5.4022 5.4022 6.2492 6.2492 7.7153 7.7153 8.8182 8.8182 9.2192 9.2192 11.6784 11.6784 k = 0.4542 0.2622 0.3538 ( 8443 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0932 -36.0932 -36.0931 -36.0931 -35.8072 -35.8072 -35.8070 -35.8070 -35.8034 -35.8034 -35.8033 -35.8033 -7.9038 -7.9038 -7.9019 -7.9019 -7.4523 -7.4523 -7.4406 -7.4406 -7.4352 -7.4352 -0.0330 -0.0330 2.2251 2.2251 5.2421 5.2421 6.1808 6.1808 7.6765 7.6765 8.9405 8.9405 9.3971 9.3971 11.7865 11.7865 k = 0.4500 0.2598 0.3674 ( 8441 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0932 -36.0932 -36.0931 -36.0931 -35.8073 -35.8073 -35.8072 -35.8072 -35.8032 -35.8032 -35.8031 -35.8031 -7.9038 -7.9038 -7.9019 -7.9019 -7.4523 -7.4523 -7.4405 -7.4405 -7.4353 -7.4353 -0.0080 -0.0080 2.2511 2.2511 5.0838 5.0838 6.1132 6.1132 7.6363 7.6363 9.0670 9.0670 9.5751 9.5751 11.8850 11.8850 k = 0.4458 0.2574 0.3810 ( 8438 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0932 -36.0932 -36.0930 -36.0930 -35.8075 -35.8075 -35.8073 -35.8073 -35.8031 -35.8031 -35.8030 -35.8030 -7.9037 -7.9037 -7.9018 -7.9018 -7.4522 -7.4522 -7.4404 -7.4404 -7.4354 -7.4354 0.0190 0.0190 2.2792 2.2792 4.9277 4.9277 6.0467 6.0467 7.5953 7.5953 9.1974 9.1974 9.7526 9.7526 11.9229 11.9229 k = 0.4417 0.2550 0.3946 ( 8432 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0932 -36.0932 -36.0930 -36.0930 -35.8077 -35.8077 -35.8074 -35.8074 -35.8030 -35.8030 -35.8028 -35.8028 -7.9037 -7.9037 -7.9018 -7.9018 -7.4522 -7.4522 -7.4403 -7.4403 -7.4354 -7.4354 0.0477 0.0477 2.3093 2.3093 4.7743 4.7743 5.9816 5.9816 7.5539 7.5539 9.3312 9.3312 9.9291 9.9291 11.8417 11.8417 k = 0.4375 0.2526 0.4082 ( 8432 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0932 -36.0932 -36.0930 -36.0930 -35.8078 -35.8078 -35.8075 -35.8075 -35.8028 -35.8028 -35.8027 -35.8027 -7.9036 -7.9036 -7.9018 -7.9018 -7.4521 -7.4521 -7.4402 -7.4402 -7.4355 -7.4355 0.0781 0.0781 2.3413 2.3413 4.6238 4.6238 5.9181 5.9181 7.5124 7.5124 9.4682 9.4682 10.1037 10.1037 11.7065 11.7065 k = 0.4333 0.2502 0.4219 ( 8430 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0933 -36.0933 -36.0930 -36.0930 -35.8080 -35.8080 -35.8077 -35.8077 -35.8027 -35.8027 -35.8025 -35.8025 -7.9036 -7.9036 -7.9018 -7.9018 -7.4521 -7.4521 -7.4400 -7.4400 -7.4356 -7.4356 0.1101 0.1101 2.3751 2.3751 4.4766 4.4766 5.8563 5.8563 7.4713 7.4713 9.6079 9.6079 10.2757 10.2757 11.5600 11.5600 k = 0.4292 0.2478 0.4355 ( 8430 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0933 -36.0933 -36.0930 -36.0930 -35.8081 -35.8081 -35.8078 -35.8078 -35.8026 -35.8026 -35.8024 -35.8024 -7.9035 -7.9035 -7.9018 -7.9018 -7.4520 -7.4520 -7.4399 -7.4399 -7.4357 -7.4357 0.1434 0.1434 2.4104 2.4104 4.3333 4.3333 5.7966 5.7966 7.4308 7.4308 9.7502 9.7502 10.4430 10.4430 11.4137 11.4137 k = 0.4250 0.2454 0.4491 ( 8436 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0933 -36.0933 -36.0930 -36.0930 -35.8083 -35.8083 -35.8079 -35.8079 -35.8025 -35.8025 -35.8022 -35.8022 -7.9035 -7.9035 -7.9018 -7.9018 -7.4520 -7.4520 -7.4397 -7.4397 -7.4357 -7.4357 0.1780 0.1780 2.4472 2.4472 4.1942 4.1942 5.7389 5.7389 7.3911 7.3911 9.8946 9.8946 10.6010 10.6010 11.2750 11.2750 k = 0.4208 0.2430 0.4627 ( 8436 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0934 -36.0934 -36.0930 -36.0930 -35.8084 -35.8084 -35.8080 -35.8080 -35.8024 -35.8024 -35.8021 -35.8021 -7.9034 -7.9034 -7.9017 -7.9017 -7.4520 -7.4520 -7.4396 -7.4396 -7.4358 -7.4358 0.2136 0.2136 2.4849 2.4849 4.0600 4.0600 5.6834 5.6834 7.3525 7.3525 10.0409 10.0409 10.7331 10.7331 11.1614 11.1614 k = 0.4167 0.2406 0.4763 ( 8436 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0934 -36.0934 -36.0929 -36.0929 -35.8086 -35.8086 -35.8080 -35.8080 -35.8023 -35.8023 -35.8019 -35.8019 -7.9034 -7.9034 -7.9017 -7.9017 -7.4519 -7.4519 -7.4395 -7.4395 -7.4359 -7.4359 0.2499 0.2499 2.5234 2.5234 3.9314 3.9314 5.6301 5.6301 7.3152 7.3152 10.1886 10.1886 10.7802 10.7802 11.1323 11.1323 k = 0.4125 0.2382 0.4899 ( 8446 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0934 -36.0934 -36.0929 -36.0929 -35.8087 -35.8087 -35.8081 -35.8081 -35.8022 -35.8022 -35.8018 -35.8018 -7.9033 -7.9033 -7.9017 -7.9017 -7.4519 -7.4519 -7.4393 -7.4393 -7.4359 -7.4359 0.2866 0.2866 2.5618 2.5618 3.8094 3.8094 5.5792 5.5792 7.2792 7.2792 10.3372 10.3372 10.7061 10.7061 11.2235 11.2235 k = 0.4083 0.2358 0.5035 ( 8444 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0935 -36.0935 -36.0929 -36.0929 -35.8088 -35.8088 -35.8082 -35.8082 -35.8022 -35.8022 -35.8016 -35.8016 -7.9033 -7.9033 -7.9016 -7.9016 -7.4519 -7.4519 -7.4392 -7.4392 -7.4360 -7.4360 0.3234 0.3234 2.5992 2.5992 3.6953 3.6953 5.5307 5.5307 7.2448 7.2448 10.4857 10.4857 10.5842 10.5842 11.3617 11.3617 k = 0.4042 0.2333 0.5171 ( 8438 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0935 -36.0935 -36.0928 -36.0928 -35.8090 -35.8090 -35.8082 -35.8082 -35.8021 -35.8021 -35.8015 -35.8015 -7.9033 -7.9033 -7.9016 -7.9016 -7.4519 -7.4519 -7.4391 -7.4391 -7.4360 -7.4360 0.3599 0.3599 2.6344 2.6344 3.5910 3.5910 5.4846 5.4846 7.2120 7.2120 10.4493 10.4493 10.6349 10.6349 11.5096 11.5096 k = 0.4000 0.2309 0.5307 ( 8442 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0936 -36.0936 -36.0928 -36.0928 -35.8091 -35.8091 -35.8083 -35.8083 -35.8021 -35.8021 -35.8014 -35.8014 -7.9033 -7.9033 -7.9016 -7.9016 -7.4518 -7.4518 -7.4390 -7.4390 -7.4361 -7.4361 0.3955 0.3955 2.6652 2.6652 3.4990 3.4990 5.4409 5.4409 7.1811 7.1811 10.3126 10.3126 10.7814 10.7814 11.6571 11.6571 k = 0.3958 0.2285 0.5443 ( 8448 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0936 -36.0936 -36.0928 -36.0928 -35.8092 -35.8092 -35.8083 -35.8083 -35.8020 -35.8020 -35.8012 -35.8012 -7.9033 -7.9033 -7.9015 -7.9015 -7.4518 -7.4518 -7.4389 -7.4389 -7.4361 -7.4361 0.4297 0.4297 2.6889 2.6889 3.4226 3.4226 5.3998 5.3998 7.1519 7.1519 10.1758 10.1758 10.9249 10.9249 11.7995 11.7996 k = 0.3917 0.2261 0.5579 ( 8452 PWs) bands (ev): -69.1391 -69.1391 -69.1390 -69.1390 -39.9441 -39.9441 -36.0937 -36.0937 -36.0927 -36.0927 -35.8094 -35.8094 -35.8083 -35.8083 -35.8020 -35.8020 -35.8011 -35.8011 -7.9033 -7.9033 -7.9015 -7.9015 -7.4518 -7.4518 -7.4388 -7.4388 -7.4361 -7.4361 0.4618 0.4618 2.7021 2.7021 3.3660 3.3660 5.3612 5.3612 7.1248 7.1248 10.0402 10.0402 11.0631 11.0631 11.9331 11.9331 k = 0.3875 0.2237 0.5715 ( 8457 PWs) bands (ev): -69.1391 -69.1391 -69.1389 -69.1389 -39.9441 -39.9441 -36.0937 -36.0937 -36.0927 -36.0927 -35.8095 -35.8095 -35.8083 -35.8083 -35.8020 -35.8020 -35.8010 -35.8010 -7.9032 -7.9032 -7.9015 -7.9015 -7.4518 -7.4518 -7.4387 -7.4387 -7.4361 -7.4361 0.4909 0.4909 2.7021 2.7021 3.3327 3.3327 5.3252 5.3252 7.0996 7.0996 9.9063 9.9063 11.1933 11.1933 12.0537 12.0537 k = 0.3833 0.2213 0.5852 ( 8455 PWs) bands (ev): -69.1392 -69.1392 -69.1389 -69.1389 -39.9441 -39.9441 -36.0938 -36.0938 -36.0926 -36.0926 -35.8096 -35.8096 -35.8083 -35.8083 -35.8020 -35.8020 -35.8009 -35.8009 -7.9033 -7.9033 -7.9014 -7.9014 -7.4518 -7.4518 -7.4386 -7.4386 -7.4361 -7.4361 0.5163 0.5163 2.6886 2.6886 3.3237 3.3237 5.2917 5.2917 7.0766 7.0766 9.7747 9.7747 11.3122 11.3122 12.1571 12.1571 k = 0.3792 0.2189 0.5988 ( 8450 PWs) bands (ev): -69.1392 -69.1392 -69.1389 -69.1389 -39.9441 -39.9441 -36.0938 -36.0938 -36.0926 -36.0926 -35.8097 -35.8097 -35.8083 -35.8083 -35.8020 -35.8020 -35.8008 -35.8008 -7.9033 -7.9033 -7.9014 -7.9014 -7.4518 -7.4518 -7.4386 -7.4386 -7.4361 -7.4361 0.5368 0.5368 2.6651 2.6651 3.3367 3.3367 5.2609 5.2609 7.0557 7.0557 9.6453 9.6453 11.4161 11.4161 12.2393 12.2393 k = 0.3750 0.2165 0.6124 ( 8428 PWs) bands (ev): -69.1392 -69.1392 -69.1389 -69.1389 -39.9441 -39.9441 -36.0939 -36.0939 -36.0925 -36.0925 -35.8098 -35.8098 -35.8083 -35.8083 -35.8020 -35.8020 -35.8007 -35.8007 -7.9033 -7.9033 -7.9014 -7.9014 -7.4519 -7.4519 -7.4385 -7.4385 -7.4361 -7.4361 0.5517 0.5517 2.6368 2.6368 3.3673 3.3673 5.2327 5.2327 7.0369 7.0369 9.5184 9.5184 11.5021 11.5021 12.2983 12.2983 k = 0.6250-0.0722 0.4082 ( 8428 PWs) bands (ev): -69.1392 -69.1392 -69.1389 -69.1389 -39.9441 -39.9441 -36.0939 -36.0939 -36.0925 -36.0925 -35.8098 -35.8098 -35.8083 -35.8083 -35.8020 -35.8020 -35.8007 -35.8007 -7.9033 -7.9033 -7.9014 -7.9014 -7.4519 -7.4519 -7.4385 -7.4385 -7.4361 -7.4361 0.5517 0.5517 2.6368 2.6368 3.3673 3.3673 5.2327 5.2327 7.0369 7.0369 9.5184 9.5184 11.5021 11.5021 12.2983 12.2983 k = 0.6176-0.0849 0.4082 ( 8448 PWs) bands (ev): -69.1392 -69.1392 -69.1389 -69.1389 -39.9441 -39.9441 -36.0940 -36.0940 -36.0924 -36.0924 -35.8100 -35.8100 -35.8083 -35.8083 -35.8020 -35.8020 -35.8005 -35.8005 -7.9033 -7.9033 -7.9013 -7.9013 -7.4519 -7.4519 -7.4385 -7.4385 -7.4360 -7.4360 0.5703 0.5703 2.5875 2.5875 3.4379 3.4379 5.1866 5.1866 7.0068 7.0068 9.2984 9.2984 11.6378 11.6378 12.3820 12.3820 k = 0.6103-0.0976 0.4082 ( 8448 PWs) bands (ev): -69.1392 -69.1392 -69.1389 -69.1389 -39.9441 -39.9441 -36.0941 -36.0941 -36.0923 -36.0923 -35.8102 -35.8102 -35.8082 -35.8082 -35.8021 -35.8021 -35.8003 -35.8003 -7.9033 -7.9033 -7.9012 -7.9012 -7.4519 -7.4519 -7.4385 -7.4385 -7.4360 -7.4360 0.5853 0.5853 2.5411 2.5411 3.5163 3.5163 5.1433 5.1433 6.9783 6.9783 9.0818 9.0818 11.7742 11.7742 12.4658 12.4658 k = 0.6029-0.1104 0.4082 ( 8436 PWs) bands (ev): -69.1392 -69.1392 -69.1389 -69.1389 -39.9441 -39.9441 -36.0942 -36.0942 -36.0922 -36.0922 -35.8103 -35.8103 -35.8082 -35.8082 -35.8021 -35.8021 -35.8001 -35.8001 -7.9034 -7.9034 -7.9012 -7.9012 -7.4520 -7.4520 -7.4385 -7.4385 -7.4359 -7.4359 0.5970 0.5970 2.4977 2.4977 3.6018 3.6018 5.1026 5.1026 6.9515 6.9515 8.8691 8.8691 11.9111 11.9111 12.5492 12.5492 k = 0.5956-0.1231 0.4082 ( 8436 PWs) bands (ev): -69.1392 -69.1392 -69.1388 -69.1388 -39.9441 -39.9441 -36.0943 -36.0943 -36.0921 -36.0921 -35.8105 -35.8105 -35.8082 -35.8082 -35.8021 -35.8021 -35.8000 -35.8000 -7.9034 -7.9034 -7.9011 -7.9011 -7.4520 -7.4520 -7.4384 -7.4384 -7.4358 -7.4358 0.6059 0.6059 2.4572 2.4572 3.6937 3.6937 5.0648 5.0648 6.9265 6.9265 8.6607 8.6607 12.0478 12.0478 12.6316 12.6316 k = 0.5882-0.1358 0.4082 ( 8440 PWs) bands (ev): -69.1393 -69.1393 -69.1388 -69.1388 -39.9441 -39.9441 -36.0944 -36.0944 -36.0921 -36.0921 -35.8106 -35.8106 -35.8081 -35.8081 -35.8022 -35.8022 -35.7998 -35.7998 -7.9034 -7.9034 -7.9011 -7.9011 -7.4521 -7.4521 -7.4384 -7.4384 -7.4357 -7.4357 0.6124 0.6124 2.4196 2.4196 3.7912 3.7912 5.0296 5.0296 6.9031 6.9031 8.4571 8.4571 12.1839 12.1839 12.7125 12.7125 k = 0.5809-0.1486 0.4082 ( 8436 PWs) bands (ev): -69.1393 -69.1393 -69.1388 -69.1388 -39.9441 -39.9441 -36.0945 -36.0945 -36.0920 -36.0920 -35.8108 -35.8108 -35.8081 -35.8081 -35.8022 -35.8022 -35.7997 -35.7997 -7.9035 -7.9035 -7.9011 -7.9011 -7.4521 -7.4521 -7.4385 -7.4385 -7.4356 -7.4356 0.6169 0.6169 2.3850 2.3850 3.8934 3.8934 4.9973 4.9973 6.8813 6.8813 8.2588 8.2588 12.3186 12.3186 12.7913 12.7913 k = 0.5735-0.1613 0.4082 ( 8440 PWs) bands (ev): -69.1393 -69.1393 -69.1388 -69.1388 -39.9441 -39.9441 -36.0945 -36.0945 -36.0919 -36.0919 -35.8109 -35.8109 -35.8081 -35.8081 -35.8022 -35.8022 -35.7996 -35.7996 -7.9035 -7.9035 -7.9010 -7.9010 -7.4522 -7.4522 -7.4385 -7.4385 -7.4355 -7.4355 0.6197 0.6197 2.3533 2.3533 3.9994 3.9994 4.9677 4.9677 6.8611 6.8611 8.0667 8.0667 12.4510 12.4510 12.8675 12.8675 k = 0.5662-0.1741 0.4082 ( 8434 PWs) bands (ev): -69.1393 -69.1393 -69.1388 -69.1388 -39.9441 -39.9441 -36.0946 -36.0946 -36.0919 -36.0919 -35.8110 -35.8110 -35.8080 -35.8080 -35.8022 -35.8022 -35.7995 -35.7995 -7.9035 -7.9035 -7.9010 -7.9010 -7.4522 -7.4522 -7.4385 -7.4385 -7.4354 -7.4354 0.6213 0.6213 2.3247 2.3247 4.1079 4.1079 4.9410 4.9410 6.8424 6.8424 7.8815 7.8815 12.5800 12.5800 12.9403 12.9403 k = 0.5588-0.1868 0.4082 ( 8434 PWs) bands (ev): -69.1393 -69.1393 -69.1388 -69.1388 -39.9441 -39.9441 -36.0947 -36.0947 -36.0918 -36.0918 -35.8111 -35.8111 -35.8080 -35.8080 -35.8023 -35.8023 -35.7994 -35.7994 -7.9036 -7.9036 -7.9009 -7.9009 -7.4523 -7.4523 -7.4385 -7.4385 -7.4354 -7.4354 0.6218 0.6218 2.2990 2.2990 4.2176 4.2176 4.9170 4.9170 6.8250 6.8250 7.7046 7.7046 12.7043 12.7043 13.0091 13.0091 k = 0.5515-0.1995 0.4082 ( 8434 PWs) bands (ev): -69.1393 -69.1393 -69.1388 -69.1388 -39.9441 -39.9441 -36.0947 -36.0947 -36.0917 -36.0917 -35.8112 -35.8112 -35.8080 -35.8080 -35.8023 -35.8023 -35.7993 -35.7993 -7.9036 -7.9036 -7.9009 -7.9009 -7.4523 -7.4523 -7.4385 -7.4385 -7.4353 -7.4353 0.6217 0.6217 2.2764 2.2764 4.3269 4.3269 4.8959 4.8959 6.8087 6.8087 7.5375 7.5375 12.8222 12.8222 13.0731 13.0731 k = 0.5441-0.2123 0.4082 ( 8446 PWs) bands (ev): -69.1393 -69.1393 -69.1388 -69.1388 -39.9441 -39.9441 -36.0948 -36.0948 -36.0917 -36.0917 -35.8113 -35.8113 -35.8080 -35.8080 -35.8023 -35.8023 -35.7992 -35.7992 -7.9036 -7.9036 -7.9009 -7.9009 -7.4523 -7.4523 -7.4385 -7.4385 -7.4352 -7.4352 0.6211 0.6211 2.2567 2.2567 4.4336 4.4336 4.8777 4.8777 6.7931 6.7931 7.3827 7.3827 12.9316 12.9316 13.1316 13.1316 k = 0.5368-0.2250 0.4082 ( 8426 PWs) bands (ev): -69.1393 -69.1393 -69.1387 -69.1387 -39.9441 -39.9441 -36.0948 -36.0948 -36.0917 -36.0917 -35.8113 -35.8113 -35.8080 -35.8080 -35.8023 -35.8023 -35.7991 -35.7991 -7.9036 -7.9036 -7.9008 -7.9008 -7.4524 -7.4524 -7.4385 -7.4385 -7.4351 -7.4351 0.6203 0.6203 2.2400 2.2400 4.5350 4.5350 4.8624 4.8624 6.7775 6.7775 7.2431 7.2431 13.0300 13.0300 13.1843 13.1843 k = 0.5294-0.2377 0.4082 ( 8438 PWs) bands (ev): -69.1393 -69.1393 -69.1387 -69.1387 -39.9441 -39.9441 -36.0948 -36.0948 -36.0916 -36.0916 -35.8114 -35.8114 -35.8080 -35.8080 -35.8023 -35.8023 -35.7991 -35.7991 -7.9037 -7.9037 -7.9008 -7.9008 -7.4524 -7.4524 -7.4385 -7.4385 -7.4351 -7.4351 0.6193 0.6193 2.2264 2.2264 4.6277 4.6277 4.8501 4.8501 6.7608 6.7608 7.1230 7.1230 13.1141 13.1141 13.2307 13.2307 k = 0.5221-0.2505 0.4082 ( 8434 PWs) bands (ev): -69.1394 -69.1394 -69.1387 -69.1387 -39.9441 -39.9441 -36.0949 -36.0949 -36.0916 -36.0916 -35.8114 -35.8114 -35.8080 -35.8080 -35.8023 -35.8023 -35.7990 -35.7990 -7.9037 -7.9037 -7.9008 -7.9008 -7.4524 -7.4524 -7.4385 -7.4385 -7.4350 -7.4350 0.6185 0.6185 2.2158 2.2158 4.7072 4.7072 4.8411 4.8411 6.7419 6.7419 7.0278 7.0278 13.1805 13.1805 13.2710 13.2710 k = 0.5147-0.2632 0.4082 ( 8434 PWs) bands (ev): -69.1394 -69.1394 -69.1387 -69.1387 -39.9441 -39.9441 -36.0949 -36.0949 -36.0916 -36.0916 -35.8114 -35.8114 -35.8079 -35.8079 -35.8023 -35.8023 -35.7990 -35.7990 -7.9037 -7.9037 -7.9008 -7.9008 -7.4524 -7.4524 -7.4385 -7.4385 -7.4350 -7.4350 0.6178 0.6178 2.2082 2.2082 4.7676 4.7676 4.8363 4.8363 6.7212 6.7212 6.9616 6.9616 13.2265 13.2265 13.3042 13.3042 k = 0.5074-0.2759 0.4082 ( 8452 PWs) bands (ev): -69.1394 -69.1394 -69.1387 -69.1387 -39.9441 -39.9441 -36.0949 -36.0949 -36.0916 -36.0916 -35.8115 -35.8115 -35.8079 -35.8079 -35.8023 -35.8023 -35.7990 -35.7990 -7.9037 -7.9037 -7.9008 -7.9008 -7.4524 -7.4524 -7.4386 -7.4386 -7.4350 -7.4350 0.6174 0.6174 2.2037 2.2037 4.8013 4.8013 4.8387 4.8387 6.7035 6.7035 6.9247 6.9247 13.2525 13.2525 13.3271 13.3271 k = 0.5000-0.2887 0.4082 ( 8480 PWs) bands (ev): -69.1394 -69.1394 -69.1387 -69.1387 -39.9441 -39.9441 -36.0949 -36.0949 -36.0916 -36.0916 -35.8115 -35.8115 -35.8079 -35.8079 -35.8023 -35.8023 -35.7990 -35.7990 -7.9037 -7.9037 -7.9008 -7.9008 -7.4524 -7.4524 -7.4386 -7.4386 -7.4350 -7.4350 0.6172 0.6172 2.2022 2.2022 4.8091 4.8091 4.8434 4.8434 6.6963 6.6963 6.9131 6.9131 13.2608 13.2608 13.3354 13.3354 Writing output data file LiMg2Ga.save init_run : 0.24s CPU 0.38s WALL ( 1 calls) electrons : 151.40s CPU 153.47s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 151.40s CPU 153.46s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.02s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.08s WALL ( 320 calls) cegterg : 134.44s CPU 135.79s WALL ( 390 calls) Called by sum_band: Called by *egterg: h_psi : 99.82s CPU 100.95s WALL ( 6118 calls) s_psi : 2.04s CPU 2.09s WALL ( 6118 calls) g_psi : 0.27s CPU 0.31s WALL ( 5408 calls) cdiaghg : 27.60s CPU 27.93s WALL ( 5728 calls) cegterg:over : 5.79s CPU 5.76s WALL ( 5408 calls) cegterg:upda : 5.65s CPU 5.62s WALL ( 5408 calls) cegterg:last : 3.09s CPU 3.18s WALL ( 1030 calls) cdiaghg:chol : 1.60s CPU 1.63s WALL ( 5728 calls) cdiaghg:inve : 0.81s CPU 0.77s WALL ( 5728 calls) cdiaghg:para : 1.60s CPU 1.73s WALL ( 11456 calls) Called by h_psi: h_psi:vloc : 94.20s CPU 95.30s WALL ( 6118 calls) h_psi:vnl : 5.28s CPU 5.33s WALL ( 6118 calls) add_vuspsi : 2.37s CPU 2.44s WALL ( 6118 calls) General routines calbec : 2.88s CPU 2.87s WALL ( 6118 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 89.38s CPU 90.32s WALL ( 529836 calls) davcio : 0.26s CPU 0.37s WALL ( 640 calls) Parallel routines fft_scatter : 28.94s CPU 28.73s WALL ( 529851 calls) PWSCF : 2m52.14s CPU 3m13.18s WALL This run was terminated on: 18:44: 1 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=