Program PWSCF v.5.4.0 starts on 10Feb2017 at 20:49:14 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 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: ./Li2InAg.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group 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) = 8.7818 a.u. unit-cell volume = 478.8827 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 30.00 number of Kohn-Sham states= 38 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)= 8.781757 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 In read from file: /users/gautes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf 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 1241 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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. # 3 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential In 13.00 114.81800 In( 1.00) Li 3.00 6.94100 Li( 1.00) Ag 11.00 107.86820 Ag( 1.00) 6 Sym. Ops. (no 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 = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 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 inv. 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 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 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 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 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 G_6 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 2 3 120 deg rotation - cryst. axis [0,0,1] -2C3 -2 -3 120 deg rotation - cryst. axis [0,0,1] E 3s_v 4 5 -6 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 6 -4 -5 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 0.4523810), wk = 0.0031250 k( 184) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0031250 k( 185) = ( 0.4761905 0.4761905 0.4761905), wk = 0.0031250 k( 186) = ( 0.4880952 0.4880952 0.4880952), wk = 0.0031250 k( 187) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031250 k( 188) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031250 k( 189) = ( 0.5041667 0.4916667 0.5041667), wk = 0.0031250 k( 190) = ( 0.5083333 0.4833333 0.5083333), wk = 0.0031250 k( 191) = ( 0.5125000 0.4750000 0.5125000), wk = 0.0031250 k( 192) = ( 0.5166667 0.4666667 0.5166667), wk = 0.0031250 k( 193) = ( 0.5208333 0.4583333 0.5208333), wk = 0.0031250 k( 194) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0031250 k( 195) = ( 0.5291667 0.4416667 0.5291667), wk = 0.0031250 k( 196) = ( 0.5333333 0.4333333 0.5333333), wk = 0.0031250 k( 197) = ( 0.5375000 0.4250000 0.5375000), wk = 0.0031250 k( 198) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0031250 k( 199) = ( 0.5458333 0.4083333 0.5458333), wk = 0.0031250 k( 200) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0031250 k( 201) = ( 0.5541667 0.3916667 0.5541667), wk = 0.0031250 k( 202) = ( 0.5583333 0.3833333 0.5583333), wk = 0.0031250 k( 203) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0031250 k( 204) = ( 0.5666667 0.3666667 0.5666667), wk = 0.0031250 k( 205) = ( 0.5708333 0.3583333 0.5708333), wk = 0.0031250 k( 206) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0031250 k( 207) = ( 0.5791667 0.3416667 0.5791667), wk = 0.0031250 k( 208) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0031250 k( 209) = ( 0.5875000 0.3250000 0.5875000), wk = 0.0031250 k( 210) = ( 0.5916667 0.3166667 0.5916667), wk = 0.0031250 k( 211) = ( 0.5958333 0.3083333 0.5958333), wk = 0.0031250 k( 212) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0031250 k( 213) = ( 0.6041667 0.2916667 0.6041667), wk = 0.0031250 k( 214) = ( 0.6083333 0.2833333 0.6083333), wk = 0.0031250 k( 215) = ( 0.6125000 0.2750000 0.6125000), wk = 0.0031250 k( 216) = ( 0.6166667 0.2666667 0.6166667), wk = 0.0031250 k( 217) = ( 0.6208333 0.2583333 0.6208333), wk = 0.0031250 k( 218) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031250 k( 219) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031250 k( 220) = ( 0.6176471 0.2500000 0.6323529), wk = 0.0031250 k( 221) = ( 0.6102941 0.2500000 0.6397059), wk = 0.0031250 k( 222) = ( 0.6029412 0.2500000 0.6470588), wk = 0.0031250 k( 223) = ( 0.5955882 0.2500000 0.6544118), wk = 0.0031250 k( 224) = ( 0.5882353 0.2500000 0.6617647), wk = 0.0031250 k( 225) = ( 0.5808823 0.2500000 0.6691177), wk = 0.0031250 k( 226) = ( 0.5735294 0.2500000 0.6764706), wk = 0.0031250 k( 227) = ( 0.5661765 0.2500000 0.6838235), wk = 0.0031250 k( 228) = ( 0.5588235 0.2500000 0.6911765), wk = 0.0031250 k( 229) = ( 0.5514706 0.2500000 0.6985294), wk = 0.0031250 k( 230) = ( 0.5441177 0.2500000 0.7058824), 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 0.7058824), 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 0.28 Mb ( 476, 38) NL pseudopotentials 0.35 Mb ( 238, 96) 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 1.10 Mb ( 476, 152) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.11 Mb ( 96, 2, 38) The potential is recalculated from file : ./Li2InAg.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.1 secs Computing kpt #: 2 total cpu time spent up to now is 3.8 secs Computing kpt #: 3 total cpu time spent up to now is 4.5 secs Computing kpt #: 4 total cpu time spent up to now is 5.0 secs Computing kpt #: 5 total cpu time spent up to now is 5.7 secs Computing kpt #: 6 total cpu time spent up to now is 6.3 secs Computing kpt #: 7 total cpu time spent up to now is 6.9 secs Computing kpt #: 8 total cpu time spent up to now is 7.5 secs Computing kpt #: 9 total cpu time spent up to now is 8.1 secs Computing kpt #: 10 total cpu time spent up to now is 8.7 secs Computing kpt #: 11 total cpu time spent up to now is 9.3 secs Computing kpt #: 12 total cpu time spent up to now is 9.9 secs Computing kpt #: 13 total cpu time spent up to now is 10.5 secs Computing kpt #: 14 total cpu time spent up to now is 11.1 secs Computing kpt #: 15 total cpu time spent up to now is 11.7 secs Computing kpt #: 16 total cpu time spent up to now is 12.3 secs Computing kpt #: 17 total cpu time spent up to now is 12.9 secs Computing kpt #: 18 total cpu time spent up to now is 13.6 secs Computing kpt #: 19 total cpu time spent up to now is 14.2 secs Computing kpt #: 20 total cpu time spent up to now is 14.8 secs Computing kpt #: 21 total cpu time spent up to now is 15.5 secs Computing kpt #: 22 total cpu time spent up to now is 16.2 secs Computing kpt #: 23 total cpu time spent up to now is 16.9 secs Computing kpt #: 24 total cpu time spent up to now is 17.5 secs Computing kpt #: 25 total cpu time spent up to now is 18.2 secs Computing kpt #: 26 total cpu time spent up to now is 18.9 secs Computing kpt #: 27 total cpu time spent up to now is 19.6 secs Computing kpt #: 28 total cpu time spent up to now is 20.2 secs Computing kpt #: 29 total cpu time spent up to now is 20.8 secs Computing kpt #: 30 total cpu time spent up to now is 21.5 secs Computing kpt #: 31 total cpu time spent up to now is 22.1 secs Computing kpt #: 32 total cpu time spent up to now is 22.7 secs Computing kpt #: 33 total cpu time spent up to now is 23.3 secs Computing kpt #: 34 total cpu time spent up to now is 24.0 secs Computing kpt #: 35 total cpu time spent up to now is 24.5 secs Computing kpt #: 36 total cpu time spent up to now is 25.2 secs Computing kpt #: 37 total cpu time spent up to now is 25.8 secs Computing kpt #: 38 total cpu time spent up to now is 26.4 secs Computing kpt #: 39 total cpu time spent up to now is 27.0 secs Computing kpt #: 40 total cpu time spent up to now is 27.6 secs Computing kpt #: 41 total cpu time spent up to now is 28.2 secs Computing kpt #: 42 total cpu time spent up to now is 28.8 secs Computing kpt #: 43 total cpu time spent up to now is 29.4 secs Computing kpt #: 44 total cpu time spent up to now is 30.0 secs Computing kpt #: 45 total cpu time spent up to now is 30.6 secs Computing kpt #: 46 total cpu time spent up to now is 31.4 secs Computing kpt #: 47 total cpu time spent up to now is 32.0 secs Computing kpt #: 48 total cpu time spent up to now is 32.8 secs Computing kpt #: 49 total cpu time spent up to now is 33.4 secs Computing kpt #: 50 total cpu time spent up to now is 34.0 secs Computing kpt #: 51 total cpu time spent up to now is 34.7 secs Computing kpt #: 52 total cpu time spent up to now is 35.4 secs Computing kpt #: 53 total cpu time spent up to now is 36.0 secs Computing kpt #: 54 total cpu time spent up to now is 36.6 secs Computing kpt #: 55 total cpu time spent up to now is 37.2 secs Computing kpt #: 56 total cpu time spent up to now is 37.7 secs Computing kpt #: 57 total cpu time spent up to now is 38.3 secs Computing kpt #: 58 total cpu time spent up to now is 38.8 secs Computing kpt #: 59 total cpu time spent up to now is 39.4 secs Computing kpt #: 60 total cpu time spent up to now is 39.9 secs Computing kpt #: 61 total cpu time spent up to now is 40.4 secs Computing kpt #: 62 total cpu time spent up to now is 40.9 secs Computing kpt #: 63 total cpu time spent up to now is 41.5 secs Computing kpt #: 64 total cpu time spent up to now is 42.0 secs Computing kpt #: 65 total cpu time spent up to now is 42.5 secs Computing kpt #: 66 total cpu time spent up to now is 43.0 secs Computing kpt #: 67 total cpu time spent up to now is 43.5 secs Computing kpt #: 68 total cpu time spent up to now is 44.0 secs Computing kpt #: 69 total cpu time spent up to now is 44.6 secs Computing kpt #: 70 total cpu time spent up to now is 45.1 secs Computing kpt #: 71 total cpu time spent up to now is 45.7 secs Computing kpt #: 72 total cpu time spent up to now is 46.2 secs Computing kpt #: 73 total cpu time spent up to now is 46.8 secs Computing kpt #: 74 total cpu time spent up to now is 47.3 secs Computing kpt #: 75 total cpu time spent up to now is 47.9 secs Computing kpt #: 76 total cpu time spent up to now is 48.4 secs Computing kpt #: 77 total cpu time spent up to now is 48.9 secs Computing kpt #: 78 total cpu time spent up to now is 49.5 secs Computing kpt #: 79 total cpu time spent up to now is 50.1 secs Computing kpt #: 80 total cpu time spent up to now is 50.7 secs Computing kpt #: 81 total cpu time spent up to now is 51.2 secs Computing kpt #: 82 total cpu time spent up to now is 51.7 secs Computing kpt #: 83 total cpu time spent up to now is 52.2 secs Computing kpt #: 84 total cpu time spent up to now is 52.8 secs Computing kpt #: 85 total cpu time spent up to now is 53.3 secs Computing kpt #: 86 total cpu time spent up to now is 53.9 secs Computing kpt #: 87 total cpu time spent up to now is 54.4 secs Computing kpt #: 88 total cpu time spent up to now is 55.0 secs Computing kpt #: 89 total cpu time spent up to now is 55.6 secs Computing kpt #: 90 total cpu time spent up to now is 56.2 secs Computing kpt #: 91 total cpu time spent up to now is 56.8 secs Computing kpt #: 92 total cpu time spent up to now is 57.4 secs Computing kpt #: 93 total cpu time spent up to now is 58.0 secs Computing kpt #: 94 total cpu time spent up to now is 58.5 secs Computing kpt #: 95 total cpu time spent up to now is 59.1 secs Computing kpt #: 96 total cpu time spent up to now is 59.7 secs Computing kpt #: 97 total cpu time spent up to now is 60.3 secs Computing kpt #: 98 total cpu time spent up to now is 60.9 secs Computing kpt #: 99 total cpu time spent up to now is 61.4 secs Computing kpt #: 100 total cpu time spent up to now is 62.1 secs Computing kpt #: 101 total cpu time spent up to now is 62.8 secs Computing kpt #: 102 total cpu time spent up to now is 63.4 secs Computing kpt #: 103 total cpu time spent up to now is 64.0 secs Computing kpt #: 104 total cpu time spent up to now is 64.6 secs Computing kpt #: 105 total cpu time spent up to now is 65.3 secs Computing kpt #: 106 total cpu time spent up to now is 65.9 secs Computing kpt #: 107 total cpu time spent up to now is 66.6 secs Computing kpt #: 108 total cpu time spent up to now is 67.2 secs Computing kpt #: 109 total cpu time spent up to now is 67.8 secs Computing kpt #: 110 total cpu time spent up to now is 68.5 secs Computing kpt #: 111 total cpu time spent up to now is 69.1 secs Computing kpt #: 112 total cpu time spent up to now is 69.8 secs Computing kpt #: 113 total cpu time spent up to now is 70.3 secs Computing kpt #: 114 total cpu time spent up to now is 70.9 secs Computing kpt #: 115 total cpu time spent up to now is 71.5 secs Computing kpt #: 116 total cpu time spent up to now is 72.1 secs Computing kpt #: 117 total cpu time spent up to now is 72.7 secs Computing kpt #: 118 total cpu time spent up to now is 73.3 secs Computing kpt #: 119 total cpu time spent up to now is 73.9 secs Computing kpt #: 120 total cpu time spent up to now is 74.5 secs Computing kpt #: 121 total cpu time spent up to now is 75.1 secs Computing kpt #: 122 total cpu time spent up to now is 75.7 secs Computing kpt #: 123 total cpu time spent up to now is 76.3 secs Computing kpt #: 124 total cpu time spent up to now is 76.9 secs Computing kpt #: 125 total cpu time spent up to now is 77.5 secs Computing kpt #: 126 total cpu time spent up to now is 78.1 secs Computing kpt #: 127 total cpu time spent up to now is 78.7 secs Computing kpt #: 128 total cpu time spent up to now is 79.3 secs Computing kpt #: 129 total cpu time spent up to now is 79.9 secs Computing kpt #: 130 total cpu time spent up to now is 80.5 secs Computing kpt #: 131 total cpu time spent up to now is 81.1 secs Computing kpt #: 132 total cpu time spent up to now is 81.7 secs Computing kpt #: 133 total cpu time spent up to now is 82.3 secs Computing kpt #: 134 total cpu time spent up to now is 82.9 secs Computing kpt #: 135 total cpu time spent up to now is 83.4 secs Computing kpt #: 136 total cpu time spent up to now is 84.0 secs Computing kpt #: 137 total cpu time spent up to now is 84.6 secs Computing kpt #: 138 total cpu time spent up to now is 85.1 secs Computing kpt #: 139 total cpu time spent up to now is 85.7 secs Computing kpt #: 140 total cpu time spent up to now is 86.3 secs Computing kpt #: 141 total cpu time spent up to now is 86.9 secs Computing kpt #: 142 total cpu time spent up to now is 87.5 secs Computing kpt #: 143 total cpu time spent up to now is 88.1 secs Computing kpt #: 144 total cpu time spent up to now is 88.7 secs Computing kpt #: 145 total cpu time spent up to now is 89.3 secs Computing kpt #: 146 total cpu time spent up to now is 89.9 secs Computing kpt #: 147 total cpu time spent up to now is 90.5 secs Computing kpt #: 148 total cpu time spent up to now is 91.2 secs Computing kpt #: 149 total cpu time spent up to now is 91.7 secs Computing kpt #: 150 total cpu time spent up to now is 92.3 secs Computing kpt #: 151 total cpu time spent up to now is 93.0 secs Computing kpt #: 152 total cpu time spent up to now is 93.6 secs Computing kpt #: 153 total cpu time spent up to now is 94.1 secs Computing kpt #: 154 total cpu time spent up to now is 94.7 secs Computing kpt #: 155 total cpu time spent up to now is 95.6 secs Computing kpt #: 156 total cpu time spent up to now is 96.2 secs Computing kpt #: 157 total cpu time spent up to now is 96.7 secs Computing kpt #: 158 total cpu time spent up to now is 97.3 secs Computing kpt #: 159 total cpu time spent up to now is 97.9 secs Computing kpt #: 160 total cpu time spent up to now is 98.4 secs Computing kpt #: 161 total cpu time spent up to now is 98.9 secs Computing kpt #: 162 total cpu time spent up to now is 99.5 secs Computing kpt #: 163 total cpu time spent up to now is 100.1 secs Computing kpt #: 164 total cpu time spent up to now is 100.6 secs Computing kpt #: 165 total cpu time spent up to now is 101.2 secs Computing kpt #: 166 total cpu time spent up to now is 101.7 secs Computing kpt #: 167 total cpu time spent up to now is 102.3 secs Computing kpt #: 168 total cpu time spent up to now is 102.8 secs Computing kpt #: 169 total cpu time spent up to now is 103.3 secs Computing kpt #: 170 total cpu time spent up to now is 103.9 secs Computing kpt #: 171 total cpu time spent up to now is 104.4 secs Computing kpt #: 172 total cpu time spent up to now is 104.9 secs Computing kpt #: 173 total cpu time spent up to now is 105.4 secs Computing kpt #: 174 total cpu time spent up to now is 105.9 secs Computing kpt #: 175 total cpu time spent up to now is 106.4 secs Computing kpt #: 176 total cpu time spent up to now is 106.9 secs Computing kpt #: 177 total cpu time spent up to now is 107.4 secs Computing kpt #: 178 total cpu time spent up to now is 107.9 secs Computing kpt #: 179 total cpu time spent up to now is 108.4 secs Computing kpt #: 180 total cpu time spent up to now is 108.9 secs Computing kpt #: 181 total cpu time spent up to now is 109.4 secs Computing kpt #: 182 total cpu time spent up to now is 109.9 secs Computing kpt #: 183 total cpu time spent up to now is 110.4 secs Computing kpt #: 184 total cpu time spent up to now is 110.9 secs Computing kpt #: 185 total cpu time spent up to now is 111.4 secs Computing kpt #: 186 total cpu time spent up to now is 111.9 secs Computing kpt #: 187 total cpu time spent up to now is 112.3 secs Computing kpt #: 188 total cpu time spent up to now is 112.8 secs Computing kpt #: 189 total cpu time spent up to now is 113.3 secs Computing kpt #: 190 total cpu time spent up to now is 113.8 secs Computing kpt #: 191 total cpu time spent up to now is 114.3 secs Computing kpt #: 192 total cpu time spent up to now is 114.8 secs Computing kpt #: 193 total cpu time spent up to now is 115.3 secs Computing kpt #: 194 total cpu time spent up to now is 115.8 secs Computing kpt #: 195 total cpu time spent up to now is 116.3 secs Computing kpt #: 196 total cpu time spent up to now is 116.8 secs Computing kpt #: 197 total cpu time spent up to now is 117.3 secs Computing kpt #: 198 total cpu time spent up to now is 117.9 secs Computing kpt #: 199 total cpu time spent up to now is 118.4 secs Computing kpt #: 200 total cpu time spent up to now is 118.9 secs Computing kpt #: 201 total cpu time spent up to now is 119.4 secs Computing kpt #: 202 total cpu time spent up to now is 119.9 secs Computing kpt #: 203 total cpu time spent up to now is 120.4 secs Computing kpt #: 204 total cpu time spent up to now is 121.0 secs Computing kpt #: 205 total cpu time spent up to now is 121.6 secs Computing kpt #: 206 total cpu time spent up to now is 122.1 secs Computing kpt #: 207 total cpu time spent up to now is 122.7 secs Computing kpt #: 208 total cpu time spent up to now is 123.3 secs Computing kpt #: 209 total cpu time spent up to now is 123.9 secs Computing kpt #: 210 total cpu time spent up to now is 124.5 secs Computing kpt #: 211 total cpu time spent up to now is 125.1 secs Computing kpt #: 212 total cpu time spent up to now is 125.7 secs Computing kpt #: 213 total cpu time spent up to now is 126.3 secs Computing kpt #: 214 total cpu time spent up to now is 126.9 secs Computing kpt #: 215 total cpu time spent up to now is 127.4 secs Computing kpt #: 216 total cpu time spent up to now is 128.1 secs Computing kpt #: 217 total cpu time spent up to now is 128.7 secs Computing kpt #: 218 total cpu time spent up to now is 129.3 secs Computing kpt #: 219 total cpu time spent up to now is 129.9 secs Computing kpt #: 220 total cpu time spent up to now is 130.6 secs Computing kpt #: 221 total cpu time spent up to now is 131.1 secs Computing kpt #: 222 total cpu time spent up to now is 131.7 secs Computing kpt #: 223 total cpu time spent up to now is 132.3 secs Computing kpt #: 224 total cpu time spent up to now is 132.8 secs Computing kpt #: 225 total cpu time spent up to now is 133.3 secs Computing kpt #: 226 total cpu time spent up to now is 133.9 secs Computing kpt #: 227 total cpu time spent up to now is 134.5 secs Computing kpt #: 228 total cpu time spent up to now is 135.0 secs Computing kpt #: 229 total cpu time spent up to now is 135.5 secs Computing kpt #: 230 total cpu time spent up to now is 136.1 secs Computing kpt #: 231 total cpu time spent up to now is 136.7 secs Computing kpt #: 232 total cpu time spent up to now is 137.3 secs Computing kpt #: 233 total cpu time spent up to now is 137.8 secs Computing kpt #: 234 total cpu time spent up to now is 138.4 secs Computing kpt #: 235 total cpu time spent up to now is 138.9 secs Computing kpt #: 236 total cpu time spent up to now is 139.4 secs Computing kpt #: 237 total cpu time spent up to now is 139.9 secs Computing kpt #: 238 total cpu time spent up to now is 140.5 secs Computing kpt #: 239 total cpu time spent up to now is 141.1 secs Computing kpt #: 240 total cpu time spent up to now is 141.7 secs Computing kpt #: 241 total cpu time spent up to now is 142.2 secs Computing kpt #: 242 total cpu time spent up to now is 142.8 secs Computing kpt #: 243 total cpu time spent up to now is 143.3 secs Computing kpt #: 244 total cpu time spent up to now is 143.9 secs Computing kpt #: 245 total cpu time spent up to now is 144.5 secs Computing kpt #: 246 total cpu time spent up to now is 145.0 secs Computing kpt #: 247 total cpu time spent up to now is 145.6 secs Computing kpt #: 248 total cpu time spent up to now is 146.1 secs Computing kpt #: 249 total cpu time spent up to now is 146.7 secs Computing kpt #: 250 total cpu time spent up to now is 147.3 secs Computing kpt #: 251 total cpu time spent up to now is 148.0 secs Computing kpt #: 252 total cpu time spent up to now is 148.6 secs Computing kpt #: 253 total cpu time spent up to now is 149.2 secs Computing kpt #: 254 total cpu time spent up to now is 149.8 secs Computing kpt #: 255 total cpu time spent up to now is 150.3 secs Computing kpt #: 256 total cpu time spent up to now is 150.9 secs Computing kpt #: 257 total cpu time spent up to now is 151.4 secs Computing kpt #: 258 total cpu time spent up to now is 151.9 secs Computing kpt #: 259 total cpu time spent up to now is 152.5 secs Computing kpt #: 260 total cpu time spent up to now is 152.9 secs Computing kpt #: 261 total cpu time spent up to now is 153.4 secs Computing kpt #: 262 total cpu time spent up to now is 153.9 secs Computing kpt #: 263 total cpu time spent up to now is 154.5 secs Computing kpt #: 264 total cpu time spent up to now is 154.9 secs Computing kpt #: 265 total cpu time spent up to now is 155.5 secs Computing kpt #: 266 total cpu time spent up to now is 156.0 secs Computing kpt #: 267 total cpu time spent up to now is 156.5 secs Computing kpt #: 268 total cpu time spent up to now is 157.0 secs Computing kpt #: 269 total cpu time spent up to now is 157.5 secs Computing kpt #: 270 total cpu time spent up to now is 158.0 secs Computing kpt #: 271 total cpu time spent up to now is 158.5 secs Computing kpt #: 272 total cpu time spent up to now is 159.0 secs Computing kpt #: 273 total cpu time spent up to now is 159.5 secs Computing kpt #: 274 total cpu time spent up to now is 159.9 secs Computing kpt #: 275 total cpu time spent up to now is 160.5 secs Computing kpt #: 276 total cpu time spent up to now is 161.0 secs Computing kpt #: 277 total cpu time spent up to now is 161.5 secs Computing kpt #: 278 total cpu time spent up to now is 162.0 secs Computing kpt #: 279 total cpu time spent up to now is 162.5 secs Computing kpt #: 280 total cpu time spent up to now is 163.0 secs Computing kpt #: 281 total cpu time spent up to now is 163.5 secs Computing kpt #: 282 total cpu time spent up to now is 163.9 secs Computing kpt #: 283 total cpu time spent up to now is 164.5 secs Computing kpt #: 284 total cpu time spent up to now is 164.9 secs Computing kpt #: 285 total cpu time spent up to now is 165.5 secs Computing kpt #: 286 total cpu time spent up to now is 166.1 secs Computing kpt #: 287 total cpu time spent up to now is 166.6 secs Computing kpt #: 288 total cpu time spent up to now is 167.1 secs Computing kpt #: 289 total cpu time spent up to now is 167.7 secs Computing kpt #: 290 total cpu time spent up to now is 168.3 secs Computing kpt #: 291 total cpu time spent up to now is 168.9 secs Computing kpt #: 292 total cpu time spent up to now is 169.4 secs Computing kpt #: 293 total cpu time spent up to now is 170.0 secs Computing kpt #: 294 total cpu time spent up to now is 170.5 secs Computing kpt #: 295 total cpu time spent up to now is 171.1 secs Computing kpt #: 296 total cpu time spent up to now is 171.7 secs Computing kpt #: 297 total cpu time spent up to now is 172.3 secs Computing kpt #: 298 total cpu time spent up to now is 172.9 secs Computing kpt #: 299 total cpu time spent up to now is 173.5 secs Computing kpt #: 300 total cpu time spent up to now is 174.1 secs Computing kpt #: 301 total cpu time spent up to now is 174.6 secs Computing kpt #: 302 total cpu time spent up to now is 175.3 secs Computing kpt #: 303 total cpu time spent up to now is 175.9 secs Computing kpt #: 304 total cpu time spent up to now is 176.6 secs Computing kpt #: 305 total cpu time spent up to now is 177.2 secs Computing kpt #: 306 total cpu time spent up to now is 177.9 secs Computing kpt #: 307 total cpu time spent up to now is 178.6 secs Computing kpt #: 308 total cpu time spent up to now is 179.3 secs Computing kpt #: 309 total cpu time spent up to now is 179.9 secs Computing kpt #: 310 total cpu time spent up to now is 180.6 secs Computing kpt #: 311 total cpu time spent up to now is 181.3 secs Computing kpt #: 312 total cpu time spent up to now is 181.9 secs Computing kpt #: 313 total cpu time spent up to now is 182.6 secs Computing kpt #: 314 total cpu time spent up to now is 183.3 secs Computing kpt #: 315 total cpu time spent up to now is 183.9 secs Computing kpt #: 316 total cpu time spent up to now is 184.6 secs Computing kpt #: 317 total cpu time spent up to now is 185.2 secs Computing kpt #: 318 total cpu time spent up to now is 185.9 secs Computing kpt #: 319 total cpu time spent up to now is 186.6 secs Computing kpt #: 320 total cpu time spent up to now is 187.2 secs ethr = 3.33E-08, avg # of iterations = 18.6 total cpu time spent up to now is 187.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8393 PWs) bands (ev): -38.5919 -38.5919 -38.4194 -38.4194 -7.0926 -7.0926 -7.0926 -7.0926 -6.2653 -6.2653 -6.2316 -6.2316 -6.2316 -6.2316 0.1226 0.1226 2.4961 2.4961 2.4961 2.4961 2.8813 2.8813 3.1914 3.1914 3.1914 3.1914 10.6547 10.6547 10.9884 10.9884 10.9884 10.9884 11.1488 11.1488 11.3168 11.3168 11.3168 11.3168 k = 0.0104-0.0060 0.0085 ( 8401 PWs) bands (ev): -38.5919 -38.5919 -38.4194 -38.4194 -7.0927 -7.0927 -7.0925 -7.0925 -6.2652 -6.2652 -6.2318 -6.2318 -6.2314 -6.2314 0.1238 0.1238 2.4951 2.4951 2.4973 2.4973 2.8814 2.8814 3.1902 3.1902 3.1925 3.1925 10.6287 10.6287 10.9075 10.9075 10.9603 10.9603 11.1974 11.1974 11.3395 11.3395 11.3619 11.3619 k = 0.0208-0.0120 0.0170 ( 8413 PWs) bands (ev): -38.5919 -38.5919 -38.4195 -38.4195 -7.0928 -7.0928 -7.0923 -7.0923 -6.2652 -6.2652 -6.2319 -6.2319 -6.2313 -6.2313 0.1275 0.1275 2.4943 2.4943 2.4987 2.4987 2.8819 2.8819 3.1887 3.1887 3.1935 3.1935 10.5576 10.5576 10.7722 10.7722 10.8979 10.8979 11.2186 11.2186 11.4276 11.4276 11.4692 11.4692 k = 0.0312-0.0180 0.0255 ( 8436 PWs) bands (ev): -38.5919 -38.5919 -38.4195 -38.4195 -7.0929 -7.0929 -7.0921 -7.0921 -6.2651 -6.2651 -6.2320 -6.2320 -6.2311 -6.2311 0.1335 0.1335 2.4937 2.4937 2.5004 2.5004 2.8826 2.8826 3.1871 3.1871 3.1945 3.1945 10.4562 10.4562 10.6285 10.6285 10.8205 10.8205 11.2073 11.2073 11.5489 11.5489 11.6039 11.6039 k = 0.0417-0.0241 0.0340 ( 8448 PWs) bands (ev): -38.5919 -38.5919 -38.4195 -38.4195 -7.0930 -7.0930 -7.0920 -7.0920 -6.2651 -6.2651 -6.2322 -6.2322 -6.2308 -6.2308 0.1420 0.1420 2.4933 2.4933 2.5023 2.5023 2.8836 2.8836 3.1853 3.1853 3.1953 3.1953 10.3379 10.3379 10.4831 10.4831 10.7314 10.7314 11.1893 11.1893 11.6787 11.6787 11.7486 11.7486 k = 0.0521-0.0301 0.0425 ( 8468 PWs) bands (ev): -38.5919 -38.5919 -38.4195 -38.4195 -7.0930 -7.0930 -7.0918 -7.0918 -6.2649 -6.2649 -6.2323 -6.2323 -6.2306 -6.2306 0.1529 0.1529 2.4930 2.4930 2.5046 2.5046 2.8849 2.8849 3.1832 3.1832 3.1962 3.1962 10.2108 10.2108 10.3377 10.3377 10.6320 10.6320 11.1704 11.1704 11.8110 11.8110 11.8965 11.8965 k = 0.0625-0.0361 0.0510 ( 8468 PWs) bands (ev): -38.5919 -38.5919 -38.4195 -38.4195 -7.0931 -7.0931 -7.0916 -7.0916 -6.2648 -6.2648 -6.2324 -6.2324 -6.2304 -6.2304 0.1663 0.1663 2.4929 2.4929 2.5071 2.5071 2.8866 2.8866 3.1809 3.1809 3.1971 3.1971 10.0792 10.0792 10.1933 10.1933 10.5240 10.5240 11.1516 11.1516 11.9432 11.9432 12.0445 12.0445 k = 0.0729-0.0421 0.0595 ( 8472 PWs) bands (ev): -38.5918 -38.5918 -38.4195 -38.4195 -7.0931 -7.0931 -7.0914 -7.0914 -6.2647 -6.2647 -6.2324 -6.2324 -6.2301 -6.2301 0.1820 0.1820 2.4928 2.4928 2.5099 2.5099 2.8885 2.8885 3.1784 3.1784 3.1980 3.1980 9.9457 9.9457 10.0502 10.0502 10.4089 10.4089 11.1327 11.1327 12.0733 12.0733 12.1904 12.1904 k = 0.0833-0.0481 0.0680 ( 8472 PWs) bands (ev): -38.5918 -38.5918 -38.4195 -38.4195 -7.0931 -7.0931 -7.0912 -7.0912 -6.2645 -6.2645 -6.2325 -6.2325 -6.2299 -6.2299 0.2000 0.2000 2.4929 2.4929 2.5130 2.5130 2.8907 2.8907 3.1757 3.1757 3.1989 3.1989 9.8115 9.8115 9.9087 9.9087 10.2877 10.2877 11.1134 11.1134 12.1995 12.1995 12.3323 12.3323 k = 0.0938-0.0541 0.0765 ( 8468 PWs) bands (ev): -38.5918 -38.5918 -38.4196 -38.4196 -7.0931 -7.0931 -7.0909 -7.0909 -6.2643 -6.2643 -6.2325 -6.2325 -6.2296 -6.2296 0.2205 0.2205 2.4931 2.4931 2.5165 2.5165 2.8933 2.8933 3.1729 3.1729 3.1999 3.1999 9.6775 9.6775 9.7691 9.7691 10.1612 10.1612 11.0935 11.0935 12.3132 12.3132 12.3841 12.3841 k = 0.1042-0.0601 0.0851 ( 8476 PWs) bands (ev): -38.5918 -38.5918 -38.4196 -38.4196 -7.0931 -7.0931 -7.0907 -7.0907 -6.2641 -6.2641 -6.2325 -6.2325 -6.2293 -6.2293 0.2432 0.2432 2.4934 2.4934 2.5203 2.5203 2.8961 2.8961 3.1699 3.1699 3.2010 3.2010 9.5443 9.5443 9.6314 9.6314 10.0298 10.0298 11.0730 11.0730 12.2641 12.2641 12.4477 12.4477 k = 0.1146-0.0662 0.0936 ( 8468 PWs) bands (ev): -38.5918 -38.5918 -38.4196 -38.4196 -7.0930 -7.0930 -7.0905 -7.0905 -6.2638 -6.2638 -6.2325 -6.2325 -6.2290 -6.2290 0.2683 0.2683 2.4938 2.4938 2.5244 2.5244 2.8993 2.8993 3.1668 3.1668 3.2022 3.2022 9.4123 9.4123 9.4958 9.4958 9.8939 9.8939 11.0518 11.0518 12.1521 12.1521 12.5584 12.5584 k = 0.1250-0.0722 0.1021 ( 8452 PWs) bands (ev): -38.5917 -38.5917 -38.4196 -38.4196 -7.0930 -7.0930 -7.0902 -7.0902 -6.2636 -6.2636 -6.2325 -6.2325 -6.2287 -6.2287 0.2956 0.2956 2.4942 2.4942 2.5289 2.5289 2.9028 2.9028 3.1636 3.1636 3.2035 3.2035 9.2816 9.2816 9.3624 9.3624 9.7538 9.7538 11.0298 11.0298 12.0367 12.0367 12.6657 12.6657 k = 0.1354-0.0782 0.1106 ( 8460 PWs) bands (ev): -38.5917 -38.5917 -38.4196 -38.4196 -7.0929 -7.0929 -7.0900 -7.0900 -6.2633 -6.2633 -6.2325 -6.2325 -6.2284 -6.2284 0.3252 0.3252 2.4946 2.4946 2.5338 2.5338 2.9066 2.9066 3.1605 3.1605 3.2049 3.2049 9.1525 9.1525 9.2312 9.2312 9.6096 9.6096 11.0073 11.0073 11.9226 11.9226 12.7685 12.7685 k = 0.1458-0.0842 0.1191 ( 8444 PWs) bands (ev): -38.5917 -38.5917 -38.4197 -38.4197 -7.0928 -7.0928 -7.0897 -7.0897 -6.2631 -6.2631 -6.2325 -6.2325 -6.2280 -6.2280 0.3570 0.3570 2.4951 2.4951 2.5390 2.5390 2.9107 2.9107 3.1574 3.1574 3.2064 3.2064 9.0251 9.0251 9.1024 9.1024 9.4618 9.4618 10.9841 10.9841 11.8116 11.8116 12.8674 12.8674 k = 0.1562-0.0902 0.1276 ( 8444 PWs) bands (ev): -38.5916 -38.5916 -38.4197 -38.4197 -7.0927 -7.0927 -7.0894 -7.0894 -6.2628 -6.2628 -6.2324 -6.2324 -6.2277 -6.2277 0.3909 0.3909 2.4957 2.4957 2.5446 2.5446 2.9151 2.9151 3.1545 3.1545 3.2081 3.2081 8.8995 8.8995 8.9759 8.9759 9.3107 9.3107 10.9604 10.9604 11.7049 11.7049 12.9630 12.9630 k = 0.1667-0.0962 0.1361 ( 8420 PWs) bands (ev): -38.5916 -38.5916 -38.4197 -38.4197 -7.0926 -7.0926 -7.0892 -7.0892 -6.2625 -6.2625 -6.2324 -6.2324 -6.2273 -6.2273 0.4270 0.4270 2.4962 2.4962 2.5506 2.5506 2.9198 2.9198 3.1518 3.1518 3.2099 3.2099 8.7756 8.7756 8.8519 8.8519 9.1568 9.1568 10.9362 10.9362 11.6031 11.6031 13.0564 13.0564 k = 0.1771-0.1022 0.1446 ( 8428 PWs) bands (ev): -38.5916 -38.5916 -38.4197 -38.4197 -7.0925 -7.0925 -7.0889 -7.0889 -6.2622 -6.2622 -6.2323 -6.2323 -6.2269 -6.2269 0.4650 0.4650 2.4967 2.4967 2.5569 2.5569 2.9248 2.9248 3.1494 3.1494 3.2119 3.2119 8.6533 8.6533 8.7304 8.7304 9.0005 9.0005 10.9115 10.9115 11.5066 11.5066 13.1484 13.1484 k = 0.1875-0.1083 0.1531 ( 8424 PWs) bands (ev): -38.5915 -38.5915 -38.4198 -38.4198 -7.0923 -7.0923 -7.0886 -7.0886 -6.2619 -6.2619 -6.2322 -6.2322 -6.2265 -6.2265 0.5051 0.5051 2.4972 2.4972 2.5637 2.5637 2.9299 2.9299 3.1473 3.1473 3.2141 3.2141 8.5324 8.5324 8.6114 8.6114 8.8427 8.8427 10.8863 10.8863 11.4158 11.4158 13.2397 13.2397 k = 0.1979-0.1143 0.1616 ( 8424 PWs) bands (ev): -38.5915 -38.5915 -38.4198 -38.4198 -7.0922 -7.0922 -7.0883 -7.0883 -6.2616 -6.2616 -6.2322 -6.2322 -6.2261 -6.2261 0.5470 0.5470 2.4977 2.4977 2.5710 2.5710 2.9353 2.9353 3.1458 3.1458 3.2165 3.2165 8.4124 8.4124 8.4950 8.4950 8.6845 8.6845 10.8605 10.8605 11.3307 11.3307 13.3312 13.3312 k = 0.2083-0.1203 0.1701 ( 8420 PWs) bands (ev): -38.5914 -38.5914 -38.4198 -38.4198 -7.0920 -7.0920 -7.0881 -7.0881 -6.2612 -6.2612 -6.2321 -6.2321 -6.2257 -6.2257 0.5907 0.5907 2.4982 2.4982 2.5787 2.5787 2.9409 2.9409 3.1448 3.1448 3.2190 3.2190 8.2922 8.2922 8.3811 8.3811 8.5274 8.5274 10.8340 10.8340 11.2516 11.2516 13.4233 13.4233 k = 0.2188-0.1263 0.1786 ( 8428 PWs) bands (ev): -38.5914 -38.5914 -38.4199 -38.4199 -7.0919 -7.0919 -7.0878 -7.0878 -6.2609 -6.2609 -6.2320 -6.2320 -6.2253 -6.2253 0.6362 0.6362 2.4986 2.4986 2.5869 2.5869 2.9465 2.9465 3.1445 3.1445 3.2219 3.2219 8.1698 8.1698 8.2695 8.2695 8.3743 8.3743 10.8066 10.8066 11.1784 11.1784 13.5166 13.5166 k = 0.2292-0.1323 0.1871 ( 8452 PWs) bands (ev): -38.5914 -38.5914 -38.4199 -38.4199 -7.0917 -7.0917 -7.0875 -7.0875 -6.2606 -6.2606 -6.2319 -6.2319 -6.2248 -6.2248 0.6832 0.6832 2.4989 2.4989 2.5956 2.5956 2.9523 2.9523 3.1449 3.1449 3.2249 3.2249 8.0418 8.0418 8.1601 8.1601 8.2292 8.2292 10.7782 10.7782 11.1114 11.1114 13.6115 13.6115 k = 0.2396-0.1383 0.1956 ( 8452 PWs) bands (ev): -38.5913 -38.5913 -38.4199 -38.4199 -7.0915 -7.0915 -7.0873 -7.0873 -6.2603 -6.2603 -6.2318 -6.2318 -6.2244 -6.2244 0.7317 0.7317 2.4991 2.4991 2.6048 2.6048 2.9580 2.9580 3.1462 3.1462 3.2283 3.2283 7.9046 7.9046 8.0522 8.0522 8.0971 8.0971 10.7486 10.7486 11.0506 11.0506 13.7081 13.7081 k = 0.2500-0.1443 0.2041 ( 8468 PWs) bands (ev): -38.5913 -38.5913 -38.4200 -38.4200 -7.0913 -7.0913 -7.0870 -7.0870 -6.2600 -6.2600 -6.2317 -6.2317 -6.2239 -6.2239 0.7816 0.7816 2.4992 2.4992 2.6147 2.6147 2.9637 2.9637 3.1484 3.1484 3.2320 3.2320 7.7571 7.7571 7.9454 7.9454 7.9798 7.9798 10.7175 10.7175 10.9961 10.9961 13.8069 13.8069 k = 0.2604-0.1504 0.2126 ( 8440 PWs) bands (ev): -38.5913 -38.5913 -38.4200 -38.4200 -7.0911 -7.0911 -7.0868 -7.0868 -6.2597 -6.2597 -6.2316 -6.2316 -6.2235 -6.2235 0.8326 0.8326 2.4992 2.4992 2.6252 2.6252 2.9693 2.9693 3.1517 3.1517 3.2361 3.2361 7.6018 7.6018 7.8412 7.8412 7.8741 7.8741 10.6850 10.6850 10.9477 10.9477 13.9079 13.9079 k = 0.2708-0.1564 0.2211 ( 8440 PWs) bands (ev): -38.5912 -38.5912 -38.4200 -38.4200 -7.0909 -7.0909 -7.0865 -7.0865 -6.2594 -6.2594 -6.2315 -6.2315 -6.2230 -6.2230 0.8845 0.8845 2.4991 2.4991 2.6365 2.6365 2.9748 2.9748 3.1561 3.1561 3.2407 3.2407 7.4419 7.4419 7.7410 7.7410 7.7756 7.7756 10.6511 10.6511 10.9051 10.9051 14.0113 14.0113 k = 0.2812-0.1624 0.2296 ( 8448 PWs) bands (ev): -38.5912 -38.5912 -38.4201 -38.4201 -7.0907 -7.0907 -7.0863 -7.0863 -6.2591 -6.2591 -6.2314 -6.2314 -6.2225 -6.2225 0.9372 0.9372 2.4988 2.4988 2.6484 2.6484 2.9800 2.9800 3.1616 3.1616 3.2458 3.2458 7.2799 7.2799 7.6453 7.6453 7.6820 7.6820 10.6161 10.6161 10.8680 10.8680 14.1172 14.1172 k = 0.2917-0.1684 0.2381 ( 8452 PWs) bands (ev): -38.5912 -38.5912 -38.4201 -38.4201 -7.0904 -7.0904 -7.0861 -7.0861 -6.2588 -6.2588 -6.2313 -6.2313 -6.2221 -6.2221 0.9905 0.9905 2.4984 2.4984 2.6613 2.6613 2.9851 2.9851 3.1683 3.1683 3.2515 3.2515 7.1171 7.1171 7.5538 7.5538 7.5925 7.5925 10.5807 10.5807 10.8356 10.8356 14.2257 14.2257 k = 0.3021-0.1744 0.2467 ( 8444 PWs) bands (ev): -38.5911 -38.5911 -38.4201 -38.4201 -7.0902 -7.0902 -7.0859 -7.0859 -6.2585 -6.2585 -6.2312 -6.2312 -6.2216 -6.2216 1.0440 1.0440 2.4978 2.4978 2.6750 2.6750 2.9899 2.9899 3.1760 3.1760 3.2581 3.2581 6.9547 6.9547 7.4665 7.4665 7.5068 7.5068 10.5453 10.5453 10.8072 10.8072 14.3368 14.3368 k = 0.3125-0.1804 0.2552 ( 8452 PWs) bands (ev): -38.5911 -38.5911 -38.4202 -38.4202 -7.0900 -7.0900 -7.0857 -7.0857 -6.2582 -6.2582 -6.2311 -6.2311 -6.2211 -6.2211 1.0976 1.0976 2.4970 2.4970 2.6896 2.6896 2.9945 2.9945 3.1847 3.1847 3.2657 3.2657 6.7931 6.7931 7.3831 7.3831 7.4249 7.4249 10.5106 10.5106 10.7822 10.7822 14.4505 14.4505 k = 0.3229-0.1864 0.2637 ( 8452 PWs) bands (ev): -38.5910 -38.5910 -38.4202 -38.4202 -7.0898 -7.0898 -7.0855 -7.0855 -6.2579 -6.2579 -6.2310 -6.2310 -6.2207 -6.2207 1.1508 1.1508 2.4961 2.4961 2.7051 2.7051 2.9988 2.9988 3.1941 3.1941 3.2746 3.2746 6.6329 6.6329 7.3036 7.3036 7.3468 7.3468 10.4768 10.4768 10.7599 10.7599 14.5669 14.5669 k = 0.3333-0.1925 0.2722 ( 8468 PWs) bands (ev): -38.5910 -38.5910 -38.4202 -38.4202 -7.0895 -7.0895 -7.0853 -7.0853 -6.2577 -6.2577 -6.2309 -6.2309 -6.2202 -6.2202 1.2033 1.2033 2.4950 2.4950 2.7216 2.7216 3.0029 3.0029 3.2041 3.2041 3.2853 3.2853 6.4746 6.4746 7.2281 7.2281 7.2725 7.2725 10.4445 10.4445 10.7401 10.7401 14.6860 14.6860 k = 0.3438-0.1985 0.2807 ( 8460 PWs) bands (ev): -38.5910 -38.5910 -38.4203 -38.4203 -7.0893 -7.0893 -7.0851 -7.0851 -6.2574 -6.2574 -6.2309 -6.2309 -6.2198 -6.2198 1.2549 1.2549 2.4937 2.4937 2.7390 2.7390 3.0068 3.0068 3.2143 3.2143 3.2982 3.2982 6.3185 6.3185 7.1564 7.1564 7.2020 7.2020 10.4137 10.4137 10.7223 10.7223 14.8077 14.8077 k = 0.3542-0.2045 0.2892 ( 8440 PWs) bands (ev): -38.5909 -38.5909 -38.4203 -38.4203 -7.0891 -7.0891 -7.0850 -7.0850 -6.2572 -6.2572 -6.2308 -6.2308 -6.2194 -6.2194 1.3051 1.3051 2.4923 2.4923 2.7573 2.7573 3.0104 3.0104 3.2243 3.2243 3.3139 3.3139 6.1649 6.1649 7.0888 7.0888 7.1355 7.1355 10.3847 10.3847 10.7062 10.7062 14.9320 14.9320 k = 0.3646-0.2105 0.2977 ( 8440 PWs) bands (ev): -38.5909 -38.5909 -38.4203 -38.4203 -7.0889 -7.0889 -7.0848 -7.0848 -6.2569 -6.2569 -6.2307 -6.2307 -6.2189 -6.2189 1.3535 1.3535 2.4908 2.4908 2.7762 2.7762 3.0137 3.0137 3.2339 3.2339 3.3329 3.3329 6.0141 6.0141 7.0253 7.0253 7.0731 7.0731 10.3576 10.3576 10.6917 10.6917 15.0589 15.0589 k = 0.3750-0.2165 0.3062 ( 8440 PWs) bands (ev): -38.5909 -38.5909 -38.4203 -38.4203 -7.0887 -7.0887 -7.0847 -7.0847 -6.2567 -6.2567 -6.2307 -6.2307 -6.2186 -6.2186 1.3998 1.3998 2.4891 2.4891 2.7955 2.7955 3.0168 3.0168 3.2427 3.2427 3.3556 3.3556 5.8666 5.8666 6.9659 6.9659 7.0147 7.0147 10.3325 10.3325 10.6786 10.6786 15.1882 15.1882 k = 0.3854-0.2225 0.3147 ( 8444 PWs) bands (ev): -38.5909 -38.5909 -38.4203 -38.4203 -7.0885 -7.0885 -7.0846 -7.0846 -6.2565 -6.2565 -6.2306 -6.2306 -6.2182 -6.2182 1.4435 1.4435 2.4874 2.4874 2.8151 2.8151 3.0196 3.0196 3.2509 3.2509 3.3824 3.3824 5.7226 5.7226 6.9108 6.9108 6.9607 6.9607 10.3094 10.3094 10.6667 10.6667 15.3200 15.3200 k = 0.3958-0.2285 0.3232 ( 8456 PWs) bands (ev): -38.5908 -38.5908 -38.4204 -38.4204 -7.0883 -7.0883 -7.0845 -7.0845 -6.2563 -6.2563 -6.2306 -6.2306 -6.2178 -6.2178 1.4845 1.4845 2.4857 2.4857 2.8345 2.8345 3.0222 3.0222 3.2583 3.2583 3.4134 3.4134 5.5827 5.5827 6.8601 6.8601 6.9109 6.9109 10.2883 10.2883 10.6561 10.6561 15.4540 15.4540 k = 0.4062-0.2345 0.3317 ( 8448 PWs) bands (ev): -38.5908 -38.5908 -38.4204 -38.4204 -7.0882 -7.0882 -7.0844 -7.0844 -6.2561 -6.2561 -6.2306 -6.2306 -6.2175 -6.2175 1.5222 1.5222 2.4839 2.4839 2.8534 2.8534 3.0244 3.0244 3.2651 3.2651 3.4486 3.4486 5.4473 5.4473 6.8138 6.8138 6.8655 6.8655 10.2693 10.2693 10.6467 10.6467 15.5900 15.5900 k = 0.4167-0.2406 0.3402 ( 8432 PWs) bands (ev): -38.5908 -38.5908 -38.4204 -38.4204 -7.0880 -7.0880 -7.0843 -7.0843 -6.2560 -6.2560 -6.2305 -6.2305 -6.2172 -6.2172 1.5565 1.5565 2.4823 2.4823 2.8714 2.8714 3.0263 3.0263 3.2712 3.2712 3.4880 3.4880 5.3171 5.3171 6.7721 6.7721 6.8247 6.8247 10.2522 10.2522 10.6383 10.6383 15.7280 15.7280 k = 0.4271-0.2466 0.3487 ( 8440 PWs) bands (ev): -38.5908 -38.5908 -38.4204 -38.4204 -7.0878 -7.0878 -7.0842 -7.0842 -6.2558 -6.2558 -6.2305 -6.2305 -6.2170 -6.2170 1.5872 1.5872 2.4807 2.4807 2.8882 2.8882 3.0278 3.0278 3.2767 3.2767 3.5312 3.5312 5.1929 5.1929 6.7350 6.7350 6.7884 6.7884 10.2372 10.2372 10.6310 10.6310 15.8674 15.8674 k = 0.4375-0.2526 0.3572 ( 8440 PWs) bands (ev): -38.5908 -38.5908 -38.4204 -38.4204 -7.0877 -7.0877 -7.0842 -7.0842 -6.2557 -6.2557 -6.2305 -6.2305 -6.2167 -6.2167 1.6140 1.6140 2.4792 2.4792 2.9034 2.9034 3.0291 3.0291 3.2816 3.2816 3.5775 3.5775 5.0758 5.0758 6.7026 6.7026 6.7568 6.7568 10.2243 10.2243 10.6248 10.6248 16.0077 16.0077 k = 0.4479-0.2586 0.3657 ( 8448 PWs) bands (ev): -38.5907 -38.5907 -38.4204 -38.4204 -7.0876 -7.0876 -7.0841 -7.0841 -6.2556 -6.2556 -6.2304 -6.2304 -6.2165 -6.2165 1.6368 1.6368 2.4778 2.4778 2.9168 2.9168 3.0300 3.0300 3.2858 3.2858 3.6257 3.6257 4.9674 4.9674 6.6751 6.6751 6.7299 6.7299 10.2133 10.2133 10.6195 10.6195 16.1481 16.1481 k = 0.4583-0.2646 0.3742 ( 8432 PWs) bands (ev): -38.5907 -38.5907 -38.4204 -38.4204 -7.0875 -7.0875 -7.0841 -7.0841 -6.2555 -6.2555 -6.2304 -6.2304 -6.2164 -6.2164 1.6556 1.6556 2.4767 2.4767 2.9280 2.9280 3.0306 3.0306 3.2892 3.2892 3.6738 3.6738 4.8698 4.8698 6.6525 6.6525 6.7078 6.7078 10.2044 10.2044 10.6152 10.6152 16.2868 16.2868 k = 0.4688-0.2706 0.3827 ( 8432 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0874 -7.0874 -7.0840 -7.0840 -6.2555 -6.2555 -6.2304 -6.2304 -6.2162 -6.2162 1.6702 1.6702 2.4758 2.4758 2.9370 2.9370 3.0309 3.0309 3.2920 3.2920 3.7189 3.7189 4.7861 4.7861 6.6348 6.6348 6.6906 6.6906 10.1974 10.1974 10.6119 10.6119 16.4206 16.4206 k = 0.4792-0.2766 0.3912 ( 8448 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0874 -7.0874 -7.0840 -7.0840 -6.2554 -6.2554 -6.2304 -6.2304 -6.2161 -6.2161 1.6807 1.6807 2.4751 2.4751 2.9436 2.9436 3.0311 3.0311 3.2940 3.2940 3.7570 3.7570 4.7204 4.7204 6.6221 6.6221 6.6782 6.6782 10.1925 10.1925 10.6095 10.6095 16.5425 16.5425 k = 0.4896-0.2827 0.3997 ( 8468 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0873 -7.0873 -7.0840 -7.0840 -6.2554 -6.2554 -6.2304 -6.2304 -6.2161 -6.2161 1.6870 1.6870 2.4747 2.4747 2.9476 2.9476 3.0312 3.0312 3.2952 3.2952 3.7829 3.7829 4.6779 4.6779 6.6145 6.6145 6.6708 6.6708 10.1895 10.1895 10.6081 10.6081 16.6371 16.6371 k = 0.5000-0.2887 0.4082 ( 8480 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0873 -7.0873 -7.0840 -7.0840 -6.2554 -6.2554 -6.2304 -6.2304 -6.2161 -6.2161 1.6890 1.6890 2.4745 2.4745 2.9489 2.9489 3.0312 3.0312 3.2956 3.2956 3.7922 3.7922 4.6631 4.6631 6.6120 6.6120 6.6683 6.6683 10.1885 10.1885 10.6076 10.6076 16.6753 16.6753 k = 0.5000-0.2887 0.4082 ( 8480 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0873 -7.0873 -7.0840 -7.0840 -6.2554 -6.2554 -6.2304 -6.2304 -6.2161 -6.2161 1.6890 1.6890 2.4745 2.4745 2.9489 2.9489 3.0312 3.0312 3.2956 3.2956 3.7922 3.7922 4.6631 4.6631 6.6120 6.6120 6.6683 6.6683 10.1885 10.1885 10.6076 10.6076 16.6753 16.6753 k = 0.5000-0.2766 0.4168 ( 8464 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0874 -7.0873 -7.0842 -7.0838 -6.2555 -6.2553 -6.2307 -6.2301 -6.2162 -6.2159 1.6865 1.6914 2.4727 2.4773 2.9372 2.9591 3.0288 3.0345 3.2919 3.2985 3.7888 3.7981 4.6603 4.6652 6.6066 6.6134 6.6636 6.6690 10.1922 10.1952 10.6119 10.6142 16.6582 16.6677 k = 0.5000-0.2646 0.4253 ( 8450 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0875 -7.0872 -7.0845 -7.0835 -6.2555 -6.2552 -6.2309 -6.2298 -6.2164 -6.2158 1.6839 1.6935 2.4718 2.4811 2.9243 2.9671 3.0279 3.0386 3.2876 3.3007 3.7879 3.8064 4.6568 4.6666 6.5972 6.6108 6.6550 6.6657 10.2064 10.2123 10.6270 10.6317 16.6130 16.6288 k = 0.5000-0.2526 0.4338 ( 8430 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0876 -7.0872 -7.0847 -7.0833 -6.2556 -6.2550 -6.2311 -6.2295 -6.2167 -6.2158 1.6811 1.6955 2.4718 2.4857 2.9106 2.9726 3.0289 3.0432 3.2826 3.3021 3.7896 3.8170 4.6525 4.6672 6.5839 6.6041 6.6427 6.6587 10.2308 10.2396 10.6529 10.6599 16.5314 16.5489 k = 0.5000-0.2406 0.4423 ( 8440 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0876 -7.0871 -7.0849 -7.0831 -6.2557 -6.2549 -6.2314 -6.2292 -6.2169 -6.2157 1.6782 1.6973 2.4728 2.4913 2.8963 2.9752 3.0317 3.0481 3.2771 3.3028 3.7938 3.8297 4.6476 4.6672 6.5668 6.5933 6.6273 6.6484 10.2653 10.2767 10.6893 10.6984 16.4127 16.4294 k = 0.5000-0.2285 0.4508 ( 8440 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0877 -7.0871 -7.0850 -7.0828 -6.2557 -6.2548 -6.2316 -6.2289 -6.2172 -6.2157 1.6751 1.6988 2.4747 2.4977 2.8817 2.9756 3.0360 3.0534 3.2712 3.3028 3.8004 3.8443 4.6421 4.6665 6.5459 6.5785 6.6093 6.6355 10.3095 10.3234 10.7359 10.7471 16.2658 16.2815 k = 0.5000-0.2165 0.4593 ( 8440 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0878 -7.0870 -7.0852 -7.0826 -6.2557 -6.2546 -6.2318 -6.2285 -6.2175 -6.2157 1.6721 1.7002 2.4774 2.5049 2.8668 2.9744 3.0408 3.0588 3.2650 3.3022 3.8092 3.8606 4.6360 4.6651 6.5216 6.5598 6.5893 6.6205 10.3630 10.3790 10.7924 10.8054 16.1001 16.1155 k = 0.5000-0.2045 0.4678 ( 8444 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0879 -7.0870 -7.0854 -7.0824 -6.2558 -6.2545 -6.2320 -6.2282 -6.2179 -6.2158 1.6689 1.7014 2.4810 2.5128 2.8518 2.9723 3.0455 3.0645 3.2586 3.3009 3.8201 3.8783 4.6293 4.6632 6.4941 6.5375 6.5678 6.6040 10.4253 10.4433 10.8583 10.8730 15.9227 15.9381 k = 0.5000-0.1925 0.4763 ( 8438 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0881 -7.0870 -7.0855 -7.0821 -6.2558 -6.2543 -6.2321 -6.2278 -6.2182 -6.2159 1.6658 1.7024 2.4855 2.5215 2.8367 2.9696 3.0497 3.0703 3.2522 3.2990 3.8328 3.8973 4.6222 4.6607 6.4639 6.5120 6.5454 6.5865 10.4960 10.5156 10.9332 10.9494 15.7380 15.7539 k = 0.5000-0.1804 0.4848 ( 8442 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0882 -7.0869 -7.0856 -7.0819 -6.2558 -6.2541 -6.2323 -6.2275 -6.2186 -6.2160 1.6626 1.7032 2.4906 2.5307 2.8218 2.9667 3.0530 3.0763 3.2459 3.2967 3.8471 3.9172 4.6147 4.6578 6.4315 6.4838 6.5225 6.5682 10.5744 10.5954 11.0165 11.0341 15.5492 15.5657 k = 0.5000-0.1684 0.4933 ( 8452 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0883 -7.0869 -7.0857 -7.0817 -6.2558 -6.2540 -6.2324 -6.2271 -6.2189 -6.2162 1.6595 1.7039 2.4965 2.5403 2.8070 2.9637 3.0554 3.0824 3.2398 3.2938 3.8628 3.9379 4.6069 4.6544 6.3975 6.4538 6.4994 6.5496 10.6600 10.6821 11.1077 11.1264 15.3582 15.3757 k = 0.5000-0.1564 0.5018 ( 8458 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0884 -7.0869 -7.0858 -7.0815 -6.2559 -6.2538 -6.2325 -6.2267 -6.2193 -6.2164 1.6564 1.7044 2.5030 2.5504 2.7924 2.9609 3.0567 3.0887 3.2341 3.2906 3.8795 3.9590 4.5988 4.6507 6.3624 6.4224 6.4765 6.5309 10.7523 10.7752 11.2062 11.2259 15.1668 15.1852 k = 0.5000-0.1443 0.5103 ( 8454 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0885 -7.0868 -7.0859 -7.0813 -6.2559 -6.2536 -6.2326 -6.2263 -6.2197 -6.2166 1.6535 1.7047 2.5102 2.5608 2.7781 2.9582 3.0568 3.0950 3.2287 3.2869 3.8969 3.9803 4.5907 4.6467 6.3270 6.3903 6.4541 6.5123 10.8506 10.8741 11.3115 11.3320 14.9760 14.9955 k = 0.5000-0.1323 0.5188 ( 8466 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0887 -7.0868 -7.0860 -7.0812 -6.2559 -6.2534 -6.2327 -6.2259 -6.2201 -6.2168 1.6506 1.7050 2.5178 2.5712 2.7641 2.9558 3.0558 3.1014 3.2239 3.2829 3.9147 4.0014 4.5826 4.6426 6.2918 6.3582 6.4324 6.4943 10.9543 10.9781 11.4227 11.4440 14.7870 14.8075 k = 0.5000-0.1203 0.5273 ( 8464 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0888 -7.0868 -7.0861 -7.0810 -6.2559 -6.2533 -6.2328 -6.2255 -6.2205 -6.2171 1.6479 1.7052 2.5260 2.5817 2.7503 2.9538 3.0537 3.1079 3.2196 3.2786 3.9326 4.0222 4.5745 4.6385 6.2574 6.3265 6.4119 6.4770 11.0627 11.0865 11.5393 11.5611 14.6005 14.6222 k = 0.5000-0.1083 0.5358 ( 8472 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0889 -7.0868 -7.0861 -7.0808 -6.2559 -6.2531 -6.2329 -6.2251 -6.2208 -6.2174 1.6454 1.7052 2.5346 2.5920 2.7369 2.9521 3.0508 3.1144 3.2158 3.2740 3.9502 4.0423 4.5667 4.6343 6.2243 6.2960 6.3926 6.4607 11.1749 11.1986 11.6603 11.6827 14.4175 14.4405 k = 0.5000-0.0962 0.5443 ( 8450 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0890 -7.0867 -7.0862 -7.0807 -6.2559 -6.2530 -6.2329 -6.2247 -6.2212 -6.2177 1.6431 1.7053 2.5436 2.6019 2.7238 2.9509 3.0470 3.1208 3.2125 3.2693 3.9671 4.0614 4.5593 4.6303 6.1930 6.2670 6.3749 6.4455 11.2902 11.3135 11.7848 11.8076 14.2390 14.2634 k = 0.5000-0.0842 0.5528 ( 8472 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0891 -7.0867 -7.0862 -7.0806 -6.2559 -6.2528 -6.2329 -6.2243 -6.2215 -6.2180 1.6410 1.7052 2.5528 2.6113 2.7110 2.9500 3.0427 3.1271 3.2098 3.2645 3.9831 4.0791 4.5524 4.6265 6.1641 6.2401 6.3588 6.4317 11.4072 11.4299 11.9115 11.9347 14.0663 14.0920 k = 0.5000-0.0722 0.5613 ( 8464 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0892 -7.0867 -7.0862 -7.0805 -6.2558 -6.2527 -6.2330 -6.2239 -6.2218 -6.2183 1.6391 1.7052 2.5624 2.6199 2.6986 2.9497 3.0380 3.1332 3.2076 3.2597 3.9978 4.0953 4.5461 4.6230 6.1380 6.2158 6.3446 6.4195 11.5244 11.5462 12.0387 12.0623 13.9008 13.9280 k = 0.5000-0.0601 0.5698 ( 8464 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0892 -7.0867 -7.0863 -7.0804 -6.2558 -6.2526 -6.2330 -6.2235 -6.2221 -6.2186 1.6375 1.7051 2.5721 2.6277 2.6865 2.9497 3.0332 3.1390 3.2057 3.2550 4.0108 4.1096 4.5405 4.6199 6.1150 6.1944 6.3323 6.4089 11.6396 11.6602 12.1640 12.1881 13.7449 13.7737 k = 0.5000-0.0481 0.5784 ( 8464 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0893 -7.0867 -7.0863 -7.0803 -6.2558 -6.2525 -6.2330 -6.2231 -6.2223 -6.2190 1.6362 1.7050 2.5819 2.6343 2.6748 2.9501 3.0285 3.1442 3.2043 3.2507 4.0219 4.1217 4.5357 4.6173 6.0957 6.1764 6.3221 6.4001 11.7494 11.7686 12.2838 12.3085 13.6019 13.6323 k = 0.5000-0.0361 0.5869 ( 8452 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0893 -7.0867 -7.0863 -7.0802 -6.2558 -6.2524 -6.2330 -6.2227 -6.2225 -6.2193 1.6351 1.7049 2.5917 2.6397 2.6636 2.9507 3.0244 3.1487 3.2032 3.2469 4.0309 4.1314 4.5319 4.6152 6.0803 6.1620 6.3142 6.3932 11.8489 11.8665 12.3928 12.4182 13.4765 13.5086 k = 0.5000-0.0241 0.5954 ( 8456 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0894 -7.0867 -7.0863 -7.0802 -6.2558 -6.2523 -6.2330 -6.2226 -6.2224 -6.2196 1.6343 1.7048 2.6012 2.6436 2.6531 2.9513 3.0211 3.1522 3.2025 3.2439 4.0374 4.1385 4.5291 4.6136 6.0691 6.1515 6.3084 6.3882 11.9310 11.9470 12.4832 12.5094 13.3761 13.4096 k = 0.5000-0.0120 0.6039 ( 8432 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0894 -7.0867 -7.0863 -7.0802 -6.2558 -6.2523 -6.2330 -6.2227 -6.2222 -6.2198 1.6339 1.7048 2.6095 2.6443 2.6460 2.9518 3.0190 3.1544 3.2021 3.2419 4.0414 4.1429 4.5274 4.6127 6.0623 6.1452 6.3049 6.3851 11.9865 12.0011 12.5444 12.5715 13.3096 13.3442 k = 0.5000-0.0000 0.6124 ( 8432 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0894 -7.0867 -7.0863 -7.0802 -6.2558 -6.2523 -6.2330 -6.2227 -6.2221 -6.2199 1.6337 1.7048 2.6134 2.6402 2.6468 2.9520 3.0183 3.1552 3.2019 3.2412 4.0427 4.1443 4.5269 4.6124 6.0600 6.1430 6.3038 6.3841 12.0063 12.0204 12.5664 12.5937 13.2862 13.3211 k = 0.5000-0.0000 0.6124 ( 8432 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0894 -7.0867 -7.0863 -7.0802 -6.2558 -6.2523 -6.2330 -6.2227 -6.2221 -6.2199 1.6337 1.7048 2.6134 2.6402 2.6468 2.9520 3.0183 3.1552 3.2019 3.2412 4.0427 4.1443 4.5269 4.6124 6.0600 6.1430 6.3038 6.3841 12.0063 12.0204 12.5664 12.5937 13.2862 13.3211 k = 0.4926 0.0127 0.6124 ( 8432 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0894 -7.0867 -7.0863 -7.0802 -6.2558 -6.2523 -6.2330 -6.2228 -6.2221 -6.2198 1.6334 1.7043 2.6111 2.6411 2.6479 2.9519 3.0185 3.1546 3.2021 3.2415 4.0395 4.1411 4.5289 4.6150 6.0572 6.1366 6.3160 6.3919 11.9913 12.0054 12.5588 12.5855 13.2971 13.3329 k = 0.4853 0.0255 0.6124 ( 8446 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0894 -7.0868 -7.0862 -7.0802 -6.2558 -6.2523 -6.2330 -6.2228 -6.2222 -6.2197 1.6324 1.7029 2.6052 2.6424 2.6512 2.9518 3.0193 3.1527 3.2027 3.2423 4.0310 4.1326 4.5337 4.6216 6.0482 6.1193 6.3503 6.4155 11.9433 11.9569 12.5439 12.5684 13.3320 13.3689 k = 0.4779 0.0382 0.6124 ( 8447 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0894 -7.0869 -7.0861 -7.0802 -6.2558 -6.2524 -6.2330 -6.2229 -6.2223 -6.2195 1.6308 1.7008 2.5976 2.6429 2.6565 2.9516 3.0204 3.1498 3.2038 3.2435 4.0192 4.1206 4.5396 4.6301 6.0336 6.0967 6.4004 6.4538 11.8623 11.8749 12.5310 12.5527 13.3885 13.4260 k = 0.4706 0.0509 0.6124 ( 8457 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0894 -7.0870 -7.0860 -7.0803 -6.2558 -6.2524 -6.2330 -6.2230 -6.2225 -6.2192 1.6289 1.6980 2.5893 2.6428 2.6626 2.9514 3.0217 3.1460 3.2052 3.2452 4.0056 4.1065 4.5454 4.6390 6.0153 6.0723 6.4617 6.5046 11.7548 11.7662 12.5235 12.5423 13.4620 13.4998 k = 0.4632 0.0637 0.6124 ( 8461 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0894 -7.0871 -7.0860 -7.0803 -6.2558 -6.2525 -6.2330 -6.2231 -6.2226 -6.2190 1.6267 1.6948 2.5807 2.6422 2.6689 2.9514 3.0232 3.1417 3.2068 3.2472 3.9912 4.0913 4.5506 4.6474 5.9951 6.0482 6.5309 6.5652 11.6297 11.6399 12.5203 12.5365 13.5482 13.5861 k = 0.4559 0.0764 0.6124 ( 8468 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0893 -7.0872 -7.0859 -7.0804 -6.2558 -6.2526 -6.2330 -6.2233 -6.2227 -6.2187 1.6242 1.6912 2.5723 2.6415 2.6752 2.9517 3.0245 3.1373 3.2084 3.2495 3.9768 4.0759 4.5547 4.6547 5.9743 6.0250 6.6058 6.6331 11.4947 11.5039 12.5194 12.5334 13.6442 13.6823 k = 0.4485 0.0891 0.6124 ( 8461 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0893 -7.0873 -7.0858 -7.0805 -6.2558 -6.2527 -6.2330 -6.2235 -6.2228 -6.2184 1.6217 1.6874 2.5642 2.6405 2.6812 2.9523 3.0254 3.1330 3.2099 3.2522 3.9630 4.0607 4.5577 4.6607 5.9540 6.0034 6.6846 6.7062 11.3560 11.3644 12.5193 12.5314 13.7477 13.7861 k = 0.4412 0.1019 0.6124 ( 8459 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0893 -7.0874 -7.0857 -7.0805 -6.2557 -6.2528 -6.2330 -6.2237 -6.2228 -6.2182 1.6191 1.6834 2.5565 2.6394 2.6869 2.9533 3.0258 3.1291 3.2112 3.2551 3.9501 4.0463 4.5597 4.6653 5.9348 5.9834 6.7654 6.7824 11.2179 11.2257 12.5194 12.5299 13.8572 13.8959 k = 0.4338 0.1146 0.6124 ( 8458 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0893 -7.0875 -7.0857 -7.0806 -6.2557 -6.2529 -6.2330 -6.2240 -6.2228 -6.2180 1.6166 1.6795 2.5493 2.6382 2.6922 2.9547 3.0254 3.1257 3.2122 3.2580 3.9382 4.0328 4.5608 4.6686 5.9170 5.9653 6.8463 6.8597 11.0840 11.0912 12.5192 12.5284 13.9711 14.0104 k = 0.4265 0.1274 0.6124 ( 8458 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0892 -7.0876 -7.0856 -7.0807 -6.2556 -6.2531 -6.2330 -6.2242 -6.2228 -6.2178 1.6142 1.6758 2.5428 2.6370 2.6969 2.9565 3.0243 3.1230 3.2129 3.2610 3.9276 4.0206 4.5611 4.6710 5.9010 5.9492 6.9254 6.9359 10.9572 10.9638 12.5188 12.5268 14.0882 14.1283 k = 0.4191 0.1401 0.6124 ( 8466 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0892 -7.0876 -7.0855 -7.0807 -6.2556 -6.2532 -6.2330 -6.2244 -6.2227 -6.2176 1.6121 1.6723 2.5371 2.6358 2.7011 2.9587 3.0224 3.1211 3.2135 3.2639 3.9183 4.0098 4.5610 4.6724 5.8869 5.9352 7.0006 7.0090 10.8401 10.8461 12.5182 12.5251 14.2073 14.2480 k = 0.4118 0.1528 0.6124 ( 8469 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0892 -7.0877 -7.0855 -7.0808 -6.2555 -6.2533 -6.2330 -6.2246 -6.2227 -6.2174 1.6101 1.6691 2.5322 2.6348 2.7047 2.9613 3.0199 3.1197 3.2139 3.2665 3.9104 4.0005 4.5605 4.6733 5.8749 5.9232 7.0698 7.0766 10.7352 10.7407 12.5175 12.5235 14.3266 14.3678 k = 0.4044 0.1656 0.6124 ( 8473 PWs) bands (ev): -38.5908 -38.5907 -38.4205 -38.4205 -7.0891 -7.0878 -7.0854 -7.0808 -6.2555 -6.2534 -6.2329 -6.2247 -6.2227 -6.2173 1.6085 1.6664 2.5281 2.6338 2.7077 2.9640 3.0169 3.1189 3.2141 3.2689 3.9039 3.9927 4.5599 4.6736 5.8649 5.9134 7.1305 7.1364 10.6450 10.6498 12.5167 12.5220 14.4440 14.4850 k = 0.3971 0.1783 0.6124 ( 8475 PWs) bands (ev): -38.5908 -38.5907 -38.4205 -38.4205 -7.0891 -7.0878 -7.0854 -7.0809 -6.2555 -6.2535 -6.2329 -6.2249 -6.2227 -6.2172 1.6072 1.6642 2.5248 2.6331 2.7101 2.9668 3.0139 3.1184 3.2143 3.2708 3.8988 3.9867 4.5592 4.6738 5.8572 5.9057 7.1808 7.1861 10.5719 10.5760 12.5160 12.5207 14.5558 14.5951 k = 0.3897 0.1910 0.6124 ( 8470 PWs) bands (ev): -38.5908 -38.5907 -38.4205 -38.4205 -7.0891 -7.0879 -7.0854 -7.0809 -6.2554 -6.2536 -6.2329 -6.2250 -6.2227 -6.2171 1.6063 1.6626 2.5225 2.6325 2.7118 2.9693 3.0111 3.1182 3.2144 3.2722 3.8952 3.9823 4.5587 4.6738 5.8516 5.9002 7.2184 7.2235 10.5179 10.5214 12.5154 12.5198 14.6554 14.6900 k = 0.3824 0.2038 0.6124 ( 8468 PWs) bands (ev): -38.5908 -38.5907 -38.4205 -38.4205 -7.0891 -7.0879 -7.0854 -7.0809 -6.2554 -6.2536 -6.2329 -6.2250 -6.2227 -6.2170 1.6057 1.6616 2.5211 2.6321 2.7128 2.9710 3.0091 3.1182 3.2144 3.2731 3.8930 3.9796 4.5584 4.6737 5.8483 5.8969 7.2417 7.2467 10.4847 10.4878 12.5151 12.5192 14.7310 14.7559 k = 0.3750 0.2165 0.6124 ( 8488 PWs) bands (ev): -38.5908 -38.5908 -38.4205 -38.4205 -7.0891 -7.0879 -7.0854 -7.0809 -6.2554 -6.2536 -6.2329 -6.2250 -6.2227 -6.2170 1.6055 1.6613 2.5207 2.6320 2.7132 2.9717 3.0084 3.1181 3.2144 3.2734 3.8923 3.9788 4.5582 4.6737 5.8472 5.8958 7.2496 7.2546 10.4735 10.4765 12.5150 12.5190 14.7621 14.7785 k = 0.3750 0.2165 0.6124 ( 8488 PWs) bands (ev): -38.5908 -38.5908 -38.4205 -38.4205 -7.0891 -7.0879 -7.0854 -7.0809 -6.2554 -6.2536 -6.2329 -6.2250 -6.2227 -6.2170 1.6055 1.6613 2.5207 2.6320 2.7132 2.9717 3.0084 3.1181 3.2144 3.2734 3.8923 3.9788 4.5582 4.6737 5.8472 5.8958 7.2496 7.2546 10.4735 10.4765 12.5150 12.5190 14.7621 14.7785 k = 0.3676 0.2123 0.6004 ( 8470 PWs) bands (ev): -38.5908 -38.5908 -38.4205 -38.4205 -7.0892 -7.0880 -7.0853 -7.0809 -6.2553 -6.2536 -6.2330 -6.2248 -6.2232 -6.2172 1.5948 1.6512 2.5249 2.6419 2.7029 2.9691 3.0069 3.1166 3.2138 3.2701 3.8703 3.9607 4.5760 4.6944 5.8299 5.8812 7.3194 7.3249 10.4888 10.4912 12.6991 12.7032 14.6285 14.6446 k = 0.3603 0.2080 0.5884 ( 8474 PWs) bands (ev): -38.5908 -38.5908 -38.4205 -38.4204 -7.0894 -7.0880 -7.0853 -7.0809 -6.2553 -6.2536 -6.2330 -6.2245 -6.2237 -6.2174 1.5829 1.6396 2.5290 2.6492 2.6946 2.9661 3.0056 3.1143 3.2135 3.2668 3.8398 3.9352 4.6026 4.7220 5.8212 5.8746 7.3924 7.3984 10.5048 10.5066 12.8829 12.8871 14.4972 14.5129 k = 0.3529 0.2038 0.5764 ( 8482 PWs) bands (ev): -38.5908 -38.5908 -38.4204 -38.4204 -7.0896 -7.0881 -7.0853 -7.0809 -6.2553 -6.2536 -6.2330 -6.2244 -6.2242 -6.2175 1.5697 1.6263 2.5329 2.6523 2.6900 2.9627 3.0045 3.1114 3.2134 3.2635 3.8021 3.9031 4.6378 4.7565 5.8210 5.8759 7.4686 7.4750 10.5214 10.5226 13.0645 13.0687 14.3683 14.3836 k = 0.3456 0.1995 0.5643 ( 8490 PWs) bands (ev): -38.5908 -38.5908 -38.4204 -38.4204 -7.0897 -7.0882 -7.0852 -7.0809 -6.2553 -6.2537 -6.2330 -6.2248 -6.2241 -6.2177 1.5551 1.6113 2.5366 2.6499 2.6900 2.9589 3.0037 3.1080 3.2132 3.2602 3.7585 3.8657 4.6808 4.7975 5.8290 5.8848 7.5479 7.5547 10.5388 10.5395 13.2420 13.2459 14.2418 14.2568 k = 0.3382 0.1953 0.5523 ( 8490 PWs) bands (ev): -38.5908 -38.5908 -38.4204 -38.4204 -7.0899 -7.0882 -7.0852 -7.0810 -6.2553 -6.2538 -6.2330 -6.2253 -6.2239 -6.2178 1.5389 1.5945 2.5400 2.6437 2.6926 2.9545 3.0031 3.1042 3.2126 3.2568 3.7108 3.8243 4.7309 4.8446 5.8448 5.9011 7.6301 7.6374 10.5569 10.5571 13.4123 13.4157 14.1180 14.1326 k = 0.3309 0.1910 0.5403 ( 8490 PWs) bands (ev): -38.5908 -38.5908 -38.4204 -38.4204 -7.0901 -7.0883 -7.0852 -7.0811 -6.2553 -6.2539 -6.2330 -6.2258 -6.2238 -6.2180 1.5212 1.5757 2.5431 2.6360 2.6956 2.9496 3.0028 3.1002 3.2113 3.2533 3.6605 3.7802 4.7876 4.8975 5.8681 5.9243 7.7152 7.7229 10.5756 10.5759 13.5720 13.5742 13.9970 14.0112 k = 0.3235 0.1868 0.5283 ( 8482 PWs) bands (ev): -38.5908 -38.5908 -38.4204 -38.4204 -7.0902 -7.0883 -7.0852 -7.0812 -6.2553 -6.2540 -6.2330 -6.2263 -6.2236 -6.2181 1.5016 1.5548 2.5461 2.6277 2.6977 2.9440 3.0029 3.0959 3.2091 3.2496 3.6094 3.7347 4.8501 4.9558 5.8983 5.9541 7.8031 7.8112 10.5949 10.5957 13.7161 13.7166 13.8796 13.8925 k = 0.3162 0.1825 0.5163 ( 8476 PWs) bands (ev): -38.5908 -38.5908 -38.4204 -38.4204 -7.0904 -7.0884 -7.0852 -7.0813 -6.2554 -6.2541 -6.2330 -6.2268 -6.2236 -6.2182 1.4803 1.5319 2.5487 2.6195 2.6984 2.9376 3.0032 3.0915 3.2058 3.2456 3.5588 3.6890 4.9180 5.0191 5.9352 5.9902 7.8936 7.9021 10.6150 10.6163 13.7583 13.7761 13.8381 13.8470 k = 0.3088 0.1783 0.5043 ( 8464 PWs) bands (ev): -38.5908 -38.5908 -38.4204 -38.4204 -7.0906 -7.0884 -7.0852 -7.0815 -6.2554 -6.2543 -6.2329 -6.2273 -6.2235 -6.2184 1.4570 1.5067 2.5512 2.6114 2.6975 2.9301 3.0038 3.0870 3.2010 3.2413 3.5101 3.6440 4.9910 5.0873 5.9784 6.0323 7.9868 7.9957 10.6361 10.6379 13.6481 13.6635 13.9304 13.9435 k = 0.3015 0.1741 0.4923 ( 8460 PWs) bands (ev): -38.5909 -38.5909 -38.4204 -38.4204 -7.0908 -7.0884 -7.0852 -7.0817 -6.2555 -6.2545 -6.2329 -6.2277 -6.2235 -6.2185 1.4318 1.4793 2.5534 2.6036 2.6950 2.9215 3.0047 3.0822 3.1944 3.2366 3.4647 3.6005 5.0688 5.1601 6.0276 6.0801 8.0825 8.0918 10.6581 10.6603 13.5386 13.5536 13.9862 14.0098 k = 0.2941 0.1698 0.4803 ( 8460 PWs) bands (ev): -38.5909 -38.5909 -38.4203 -38.4203 -7.0910 -7.0885 -7.0852 -7.0819 -6.2556 -6.2547 -6.2329 -6.2281 -6.2235 -6.2186 1.4044 1.4497 2.5553 2.5961 2.6909 2.9114 3.0057 3.0772 3.1859 3.2313 3.4237 3.5594 5.1511 5.2373 6.0823 6.1334 8.1805 8.1902 10.6809 10.6836 13.4319 13.4467 13.9678 13.9992 k = 0.2868 0.1656 0.4683 ( 8460 PWs) bands (ev): -38.5909 -38.5909 -38.4203 -38.4203 -7.0912 -7.0885 -7.0853 -7.0821 -6.2557 -6.2549 -6.2329 -6.2285 -6.2235 -6.2187 1.3750 1.4177 2.5570 2.5888 2.6853 2.8996 3.0068 3.0719 3.1755 3.2255 3.3881 3.5210 5.2378 5.3190 6.1424 6.1918 8.2809 8.2910 10.7047 10.7079 13.3282 13.3428 13.8607 13.8737 k = 0.2794 0.1613 0.4563 ( 8464 PWs) bands (ev): -38.5909 -38.5909 -38.4203 -38.4203 -7.0914 -7.0885 -7.0853 -7.0824 -6.2559 -6.2552 -6.2328 -6.2289 -6.2236 -6.2188 1.3435 1.3836 2.5585 2.5819 2.6784 2.8859 3.0079 3.0660 3.1636 3.2190 3.3581 3.4858 5.3287 5.4049 6.2076 6.2553 8.3835 8.3939 10.7293 10.7330 13.2276 13.2421 13.7414 13.7503 k = 0.2721 0.1571 0.4443 ( 8458 PWs) bands (ev): -38.5909 -38.5909 -38.4203 -38.4203 -7.0915 -7.0885 -7.0854 -7.0826 -6.2561 -6.2555 -6.2328 -6.2293 -6.2237 -6.2190 1.3099 1.3472 2.5597 2.5754 2.6704 2.8700 3.0089 3.0596 3.1512 3.2119 3.3337 3.4540 5.4237 5.4950 6.2777 6.3235 8.4881 8.4990 10.7548 10.7590 13.1302 13.1447 13.6222 13.6292 k = 0.2647 0.1528 0.4323 ( 8460 PWs) bands (ev): -38.5910 -38.5910 -38.4203 -38.4203 -7.0917 -7.0886 -7.0854 -7.0829 -6.2562 -6.2558 -6.2328 -6.2296 -6.2239 -6.2191 1.2743 1.3088 2.5607 2.5691 2.6615 2.8520 3.0097 3.0525 3.1393 3.2042 3.3141 3.4258 5.5227 5.5893 6.3523 6.3964 8.5947 8.6060 10.7812 10.7859 13.0359 13.0505 13.5046 13.5104 k = 0.2574 0.1486 0.4203 ( 8460 PWs) bands (ev): -38.5910 -38.5910 -38.4202 -38.4202 -7.0919 -7.0886 -7.0855 -7.0832 -6.2564 -6.2561 -6.2327 -6.2299 -6.2241 -6.2192 1.2368 1.2685 2.5615 2.5631 2.6520 2.8322 3.0102 3.0447 3.1289 3.1960 3.2981 3.4009 5.6256 5.6877 6.4315 6.4737 8.7031 8.7149 10.8084 10.8136 12.9450 12.9596 13.3892 13.3941 k = 0.2500 0.1443 0.4082 ( 8452 PWs) bands (ev): -38.5910 -38.5910 -38.4202 -38.4202 -7.0921 -7.0886 -7.0856 -7.0836 -6.2567 -6.2564 -6.2327 -6.2302 -6.2243 -6.2194 1.1975 1.2264 2.5574 2.5621 2.6421 2.8110 3.0103 3.0364 3.1206 3.1876 3.2850 3.3793 5.7323 5.7900 6.5149 6.5553 8.8132 8.8254 10.8365 10.8421 12.8575 12.8722 13.2760 13.2803 k = 0.2426 0.1401 0.3962 ( 8468 PWs) bands (ev): -38.5910 -38.5910 -38.4202 -38.4202 -7.0923 -7.0886 -7.0857 -7.0839 -6.2569 -6.2567 -6.2326 -6.2305 -6.2245 -6.2195 1.1566 1.1828 2.5519 2.5624 2.6320 2.7889 3.0098 3.0279 3.1144 3.1792 3.2738 3.3606 5.8427 5.8964 6.6025 6.6411 8.9248 8.9376 10.8653 10.8714 12.7734 12.7883 13.1653 13.1691 k = 0.2353 0.1358 0.3842 ( 8460 PWs) bands (ev): -38.5911 -38.5911 -38.4202 -38.4202 -7.0925 -7.0887 -7.0859 -7.0843 -6.2572 -6.2570 -6.2326 -6.2307 -6.2248 -6.2197 1.1143 1.1378 2.5467 2.5624 2.6220 2.7664 3.0088 3.0195 3.1101 3.1711 3.2641 3.3444 5.9569 6.0066 6.6940 6.7309 9.0377 9.0510 10.8949 10.9015 12.6929 12.7079 13.0572 13.0605 k = 0.2279 0.1316 0.3722 ( 8450 PWs) bands (ev): -38.5911 -38.5911 -38.4201 -38.4201 -7.0926 -7.0887 -7.0860 -7.0846 -6.2574 -6.2574 -6.2325 -6.2310 -6.2251 -6.2199 1.0706 1.0917 2.5418 2.5623 2.6121 2.7442 3.0070 3.0114 3.1074 3.1638 3.2553 3.3304 6.0746 6.1206 6.7894 6.8246 9.1518 9.1657 10.9251 10.9322 12.6161 12.6313 12.9518 12.9546 k = 0.2206 0.1274 0.3602 ( 8448 PWs) bands (ev): -38.5911 -38.5911 -38.4201 -38.4201 -7.0928 -7.0888 -7.0862 -7.0850 -6.2577 -6.2577 -6.2325 -6.2312 -6.2254 -6.2201 1.0260 1.0448 2.5370 2.5619 2.6026 2.7227 3.0035 3.0044 3.1059 3.1573 3.2474 3.3182 6.1959 6.2383 6.8886 6.9221 9.2668 9.2813 10.9560 10.9636 12.5431 12.5586 12.8491 12.8515 k = 0.2132 0.1231 0.3482 ( 8454 PWs) bands (ev): -38.5912 -38.5912 -38.4201 -38.4201 -7.0929 -7.0888 -7.0863 -7.0854 -6.2581 -6.2580 -6.2324 -6.2314 -6.2258 -6.2203 0.9806 0.9972 2.5325 2.5613 2.5935 2.7021 2.9960 3.0009 3.1055 3.1520 3.2400 3.3074 6.3206 6.3598 6.9913 7.0233 9.3825 9.3976 10.9874 10.9955 12.4741 12.4898 12.7492 12.7512 k = 0.2059 0.1189 0.3362 ( 8448 PWs) bands (ev): -38.5912 -38.5912 -38.4201 -38.4201 -7.0931 -7.0889 -7.0865 -7.0858 -6.2584 -6.2583 -6.2323 -6.2316 -6.2261 -6.2206 0.9347 0.9493 2.5282 2.5604 2.5849 2.6827 2.9888 2.9967 3.1060 3.1478 3.2332 3.2978 6.4488 6.4848 7.0976 7.1280 9.4985 9.5143 11.0193 11.0278 12.4092 12.4252 12.6523 12.6539 k = 0.1985 0.1146 0.3242 ( 8444 PWs) bands (ev): -38.5912 -38.5912 -38.4200 -38.4200 -7.0932 -7.0889 -7.0867 -7.0862 -6.2588 -6.2587 -6.2323 -6.2318 -6.2265 -6.2208 0.8884 0.9012 2.5241 2.5594 2.5768 2.6646 2.9818 2.9918 3.1071 3.1449 3.2268 3.2892 6.5802 6.6134 7.2072 7.2363 9.6145 9.6310 11.0516 11.0605 12.3487 12.3650 12.5585 12.5596 k = 0.1912 0.1104 0.3122 ( 8438 PWs) bands (ev): -38.5913 -38.5913 -38.4200 -38.4200 -7.0934 -7.0890 -7.0869 -7.0866 -6.2592 -6.2590 -6.2322 -6.2319 -6.2269 -6.2211 0.8421 0.8532 2.5203 2.5580 2.5694 2.6478 2.9751 2.9862 3.1089 3.1431 3.2209 3.2814 6.7150 6.7455 7.3202 7.3479 9.7299 9.7472 11.0840 11.0935 12.2928 12.3093 12.4680 12.4685 k = 0.1838 0.1061 0.3002 ( 8434 PWs) bands (ev): -38.5913 -38.5913 -38.4200 -38.4200 -7.0935 -7.0891 -7.0871 -7.0870 -6.2595 -6.2593 -6.2321 -6.2320 -6.2273 -6.2215 0.7960 0.8056 2.5167 2.5565 2.5624 2.6323 2.9686 2.9801 3.1113 3.1424 3.2154 3.2742 6.8529 6.8809 7.4363 7.4628 9.8444 9.8625 11.1167 11.1265 12.2416 12.2580 12.3809 12.3813 k = 0.1765 0.1019 0.2882 ( 8438 PWs) bands (ev): -38.5913 -38.5913 -38.4199 -38.4199 -7.0936 -7.0891 -7.0874 -7.0873 -6.2599 -6.2597 -6.2322 -6.2321 -6.2277 -6.2218 0.7502 0.7585 2.5133 2.5547 2.5561 2.6182 2.9623 2.9737 3.1140 3.1425 3.2103 3.2676 6.9939 7.0197 7.5556 7.5809 9.9573 9.9762 11.1492 11.1596 12.1950 12.2104 12.2975 12.2998 k = 0.1691 0.0976 0.2762 ( 8422 PWs) bands (ev): -38.5914 -38.5914 -38.4199 -38.4199 -7.0937 -7.0892 -7.0878 -7.0875 -6.2602 -6.2600 -6.2323 -6.2320 -6.2281 -6.2222 0.7051 0.7122 2.5101 2.5502 2.5528 2.6054 2.9562 2.9671 3.1172 3.1434 3.2057 3.2615 7.1380 7.1616 7.6779 7.7022 10.0677 10.0876 11.1817 11.1924 12.1514 12.1630 12.2207 12.2276 k = 0.1618 0.0934 0.2642 ( 8422 PWs) bands (ev): -38.5914 -38.5914 -38.4199 -38.4199 -7.0938 -7.0893 -7.0881 -7.0878 -6.2606 -6.2604 -6.2324 -6.2319 -6.2285 -6.2226 0.6607 0.6668 2.5072 2.5447 2.5506 2.5937 2.9502 2.9604 3.1206 3.1450 3.2014 3.2559 7.2850 7.3067 7.8031 7.8265 10.1749 10.1957 11.2137 11.2249 12.1030 12.1062 12.1590 12.1751 k = 0.1544 0.0891 0.2522 ( 8432 PWs) bands (ev): -38.5914 -38.5914 -38.4198 -38.4198 -7.0939 -7.0894 -7.0885 -7.0880 -6.2609 -6.2607 -6.2324 -6.2318 -6.2289 -6.2230 0.6173 0.6224 2.5046 2.5397 2.5482 2.5831 2.9444 2.9537 3.1244 3.1470 3.1977 3.2506 7.4349 7.4549 7.9312 7.9537 10.2778 10.2994 11.2452 11.2568 12.0391 12.0404 12.1227 12.1440 k = 0.1471 0.0849 0.2401 ( 8434 PWs) bands (ev): -38.5915 -38.5915 -38.4198 -38.4198 -7.0939 -7.0896 -7.0889 -7.0883 -6.2612 -6.2610 -6.2325 -6.2318 -6.2293 -6.2234 0.5750 0.5793 2.5022 2.5351 2.5456 2.5736 2.9388 2.9472 3.1283 3.1494 3.1943 3.2457 7.5877 7.6060 8.0621 8.0837 10.3751 10.3976 11.2760 11.2880 11.9699 11.9722 12.1044 12.1273 k = 0.1397 0.0807 0.2281 ( 8432 PWs) bands (ev): -38.5915 -38.5915 -38.4198 -38.4198 -7.0940 -7.0897 -7.0893 -7.0885 -6.2616 -6.2614 -6.2325 -6.2317 -6.2296 -6.2238 0.5340 0.5376 2.5000 2.5308 2.5428 2.5651 2.9334 2.9408 3.1324 3.1522 3.1914 3.2411 7.7432 7.7601 8.1956 8.2165 10.4656 10.4888 11.3057 11.3183 11.9022 11.9048 12.0988 12.1224 k = 0.1324 0.0764 0.2161 ( 8430 PWs) bands (ev): -38.5915 -38.5915 -38.4198 -38.4198 -7.0940 -7.0898 -7.0896 -7.0888 -6.2619 -6.2617 -6.2326 -6.2316 -6.2300 -6.2243 0.4945 0.4974 2.4981 2.5268 2.5399 2.5574 2.9282 2.9346 3.1366 3.1551 3.1889 3.2368 7.9013 7.9169 8.3316 8.3519 10.5481 10.5717 11.3342 11.3474 11.8370 11.8400 12.1055 12.1293 k = 0.1250 0.0722 0.2041 ( 8460 PWs) bands (ev): -38.5916 -38.5916 -38.4197 -38.4197 -7.0940 -7.0900 -7.0900 -7.0890 -6.2622 -6.2621 -6.2326 -6.2316 -6.2303 -6.2247 0.4564 0.4589 2.4964 2.5232 2.5367 2.5506 2.9232 2.9287 3.1408 3.1582 3.1868 3.2328 8.0620 8.0764 8.4701 8.4899 10.6213 10.6451 11.3612 11.3752 11.7749 11.7784 12.1247 12.1484 k = 0.1176 0.0679 0.1921 ( 8448 PWs) bands (ev): -38.5916 -38.5916 -38.4197 -38.4197 -7.0940 -7.0903 -7.0901 -7.0893 -6.2625 -6.2624 -6.2326 -6.2315 -6.2306 -6.2252 0.4201 0.4221 2.4949 2.5197 2.5334 2.5445 2.9185 2.9231 3.1451 3.1614 3.1851 3.2291 8.2251 8.2386 8.6109 8.6303 10.6845 10.7080 11.3863 11.4015 11.7160 11.7203 12.1570 12.1800 k = 0.1103 0.0637 0.1801 ( 8460 PWs) bands (ev): -38.5916 -38.5916 -38.4197 -38.4197 -7.0940 -7.0906 -7.0903 -7.0895 -6.2628 -6.2627 -6.2326 -6.2315 -6.2309 -6.2257 0.3855 0.3871 2.4936 2.5166 2.5300 2.5392 2.9140 2.9178 3.1494 3.1646 3.1838 3.2256 8.3905 8.4032 8.7539 8.7730 10.7372 10.7602 11.4091 11.4259 11.6604 11.6661 12.2019 12.2239 k = 0.1029 0.0594 0.1681 ( 8444 PWs) bands (ev): -38.5917 -38.5917 -38.4197 -38.4197 -7.0940 -7.0909 -7.0905 -7.0898 -6.2631 -6.2630 -6.2326 -6.2314 -6.2312 -6.2262 0.3527 0.3540 2.4926 2.5136 2.5264 2.5345 2.9098 2.9129 3.1536 3.1678 3.1828 3.2223 8.5581 8.5701 8.8989 8.9179 10.7798 10.8018 11.4289 11.4485 11.6083 11.6165 12.2585 12.2792 k = 0.0956 0.0552 0.1561 ( 8458 PWs) bands (ev): -38.5917 -38.5917 -38.4196 -38.4196 -7.0940 -7.0911 -7.0907 -7.0900 -6.2634 -6.2633 -6.2326 -6.2314 -6.2314 -6.2266 0.3219 0.3229 2.4917 2.5109 2.5228 2.5304 2.9058 2.9083 3.1577 3.1709 3.1821 3.2192 8.7278 8.7393 9.0459 9.0647 10.8130 10.8337 11.4443 11.4688 11.5597 11.5727 12.3247 12.3444 k = 0.0882 0.0509 0.1441 ( 8451 PWs) bands (ev): -38.5917 -38.5917 -38.4196 -38.4196 -7.0940 -7.0914 -7.0908 -7.0902 -6.2636 -6.2635 -6.2326 -6.2316 -6.2313 -6.2271 0.2931 0.2939 2.4910 2.5084 2.5193 2.5266 2.9022 2.9041 3.1617 3.1739 3.1818 3.2163 8.8993 8.9105 9.1946 9.2135 10.8379 10.8572 11.4511 11.4868 11.5147 11.5390 12.3934 12.4159 k = 0.0809 0.0467 0.1321 ( 8459 PWs) bands (ev): -38.5918 -38.5918 -38.4196 -38.4196 -7.0939 -7.0916 -7.0910 -7.0904 -6.2639 -6.2638 -6.2326 -6.2318 -6.2313 -6.2276 0.2664 0.2670 2.4905 2.5062 2.5159 2.5231 2.8988 2.9003 3.1656 3.1768 3.1817 3.2136 9.0724 9.0835 9.3449 9.3640 10.8559 10.8736 11.4414 11.4728 11.5027 11.5230 12.3986 12.4570 k = 0.0735 0.0425 0.1201 ( 8449 PWs) bands (ev): -38.5918 -38.5918 -38.4196 -38.4196 -7.0938 -7.0918 -7.0912 -7.0907 -6.2641 -6.2640 -6.2325 -6.2319 -6.2313 -6.2280 0.2419 0.2423 2.4901 2.5041 2.5128 2.5198 2.8957 2.8969 3.1692 3.1795 3.1819 3.2111 9.2468 9.2580 9.4966 9.5160 10.8685 10.8844 11.4168 11.4349 11.5155 11.5229 12.3252 12.3792 k = 0.0662 0.0382 0.1081 ( 8461 PWs) bands (ev): -38.5918 -38.5918 -38.4196 -38.4196 -7.0938 -7.0920 -7.0914 -7.0909 -6.2643 -6.2643 -6.2325 -6.2320 -6.2313 -6.2285 0.2195 0.2198 2.4899 2.5023 2.5100 2.5167 2.8930 2.8938 3.1726 3.1820 3.1823 3.2087 9.4222 9.4336 9.6495 9.6694 10.8770 10.8911 11.3881 11.4005 11.5255 11.5278 12.2372 12.2816 k = 0.0588 0.0340 0.0961 ( 8461 PWs) bands (ev): -38.5918 -38.5918 -38.4195 -38.4195 -7.0937 -7.0922 -7.0916 -7.0911 -6.2645 -6.2645 -6.2325 -6.2320 -6.2313 -6.2289 0.1994 0.1996 2.4899 2.5006 2.5074 2.5137 2.8905 2.8911 3.1758 3.1829 3.1842 3.2064 9.5979 9.6097 9.8034 9.8238 10.8825 10.8949 11.3602 11.3696 11.5323 11.5323 12.1401 12.1758 k = 0.0515 0.0297 0.0841 ( 8463 PWs) bands (ev): -38.5918 -38.5918 -38.4195 -38.4195 -7.0936 -7.0923 -7.0918 -7.0913 -6.2647 -6.2647 -6.2325 -6.2320 -6.2313 -6.2293 0.1815 0.1817 2.4901 2.4992 2.5051 2.5109 2.8883 2.8887 3.1786 3.1837 3.1862 3.2042 9.7731 9.7855 9.9582 9.9792 10.8864 10.8969 11.3346 11.3422 11.5341 11.5350 12.0353 12.0631 k = 0.0441 0.0255 0.0720 ( 8465 PWs) bands (ev): -38.5919 -38.5919 -38.4195 -38.4195 -7.0935 -7.0924 -7.0919 -7.0915 -6.2648 -6.2648 -6.2324 -6.2320 -6.2313 -6.2297 0.1660 0.1661 2.4904 2.4981 2.5030 2.5083 2.8865 2.8867 3.1812 3.1848 3.1879 3.2022 9.9466 9.9594 10.1140 10.1354 10.8896 10.8984 11.3119 11.3182 11.5312 11.5327 11.9238 11.9444 k = 0.0368 0.0212 0.0600 ( 8461 PWs) bands (ev): -38.5919 -38.5919 -38.4195 -38.4195 -7.0933 -7.0925 -7.0921 -7.0917 -6.2649 -6.2649 -6.2324 -6.2319 -6.2314 -6.2301 0.1528 0.1528 2.4909 2.4971 2.5012 2.5058 2.8849 2.8850 3.1833 3.1860 3.1893 3.2002 10.1162 10.1287 10.2712 10.2921 10.8936 10.9005 11.2920 11.2974 11.5213 11.5232 11.8070 11.8207 k = 0.0294 0.0170 0.0480 ( 8459 PWs) bands (ev): -38.5919 -38.5919 -38.4195 -38.4195 -7.0932 -7.0926 -7.0922 -7.0919 -6.2651 -6.2651 -6.2323 -6.2319 -6.2314 -6.2305 0.1419 0.1420 2.4916 2.4964 2.4997 2.5035 2.8836 2.8837 3.1851 3.1874 3.1904 3.1983 10.2782 10.2890 10.4303 10.4492 10.9000 10.9052 11.2746 11.2793 11.5000 11.5027 11.6868 11.6938 k = 0.0221 0.0127 0.0360 ( 8441 PWs) bands (ev): -38.5919 -38.5919 -38.4195 -38.4195 -7.0931 -7.0926 -7.0923 -7.0920 -6.2651 -6.2651 -6.2322 -6.2318 -6.2314 -6.2308 0.1335 0.1335 2.4924 2.4960 2.4984 2.5013 2.8826 2.8826 3.1867 3.1888 3.1912 3.1965 10.4259 10.4334 10.5914 10.6060 10.9119 10.9155 11.2584 11.2625 11.4612 11.4656 11.5663 11.5664 k = 0.0147 0.0085 0.0240 ( 8413 PWs) bands (ev): -38.5919 -38.5919 -38.4195 -38.4195 -7.0929 -7.0926 -7.0924 -7.0922 -6.2652 -6.2652 -6.2320 -6.2317 -6.2315 -6.2311 0.1274 0.1274 2.4934 2.4958 2.4974 2.4994 2.8819 2.8819 3.1883 3.1899 3.1916 3.1947 10.5479 10.5512 10.7516 10.7603 10.9338 10.9362 11.2386 11.2423 11.4014 11.4074 11.4466 11.4518 k = 0.0074 0.0042 0.0120 ( 8397 PWs) bands (ev): -38.5919 -38.5919 -38.4194 -38.4194 -7.0927 -7.0926 -7.0925 -7.0924 -6.2652 -6.2652 -6.2318 -6.2317 -6.2316 -6.2314 0.1238 0.1238 2.4947 2.4958 2.4966 2.4976 2.8814 2.8814 3.1898 3.1908 3.1917 3.1931 10.6278 10.6283 10.9011 10.9039 10.9669 10.9687 11.1983 11.2002 11.3397 11.3418 11.3553 11.3575 k = 0.0000 0.0000 0.0000 ( 8393 PWs) bands (ev): -38.5919 -38.5919 -38.4194 -38.4194 -7.0926 -7.0926 -7.0926 -7.0926 -6.2653 -6.2653 -6.2316 -6.2316 -6.2316 -6.2316 0.1226 0.1226 2.4961 2.4961 2.4961 2.4961 2.8813 2.8813 3.1914 3.1914 3.1914 3.1914 10.6547 10.6547 10.9884 10.9884 10.9884 10.9884 11.1488 11.1488 11.3168 11.3168 11.3168 11.3168 k = 0.0000 0.0000 0.0000 ( 8393 PWs) bands (ev): -38.5919 -38.5919 -38.4194 -38.4194 -7.0926 -7.0926 -7.0926 -7.0926 -6.2653 -6.2653 -6.2316 -6.2316 -6.2316 -6.2316 0.1226 0.1226 2.4961 2.4961 2.4961 2.4961 2.8813 2.8813 3.1914 3.1914 3.1914 3.1914 10.6547 10.6547 10.9884 10.9884 10.9884 10.9884 11.1488 11.1488 11.3168 11.3168 11.3168 11.3168 k = 0.0119 0.0069 0.0049 ( 8405 PWs) bands (ev): -38.5919 -38.5919 -38.4195 -38.4195 -7.0928 -7.0926 -7.0926 -7.0924 -6.2652 -6.2652 -6.2318 -6.2316 -6.2316 -6.2314 0.1238 0.1238 2.4946 2.4962 2.4962 2.4977 2.8814 2.8814 3.1898 3.1912 3.1912 3.1931 10.6281 10.6281 10.9046 10.9046 10.9659 10.9685 11.2008 11.2008 11.3395 11.3400 11.3544 11.3544 k = 0.0238 0.0137 0.0097 ( 8411 PWs) bands (ev): -38.5919 -38.5919 -38.4195 -38.4195 -7.0929 -7.0925 -7.0925 -7.0922 -6.2652 -6.2652 -6.2320 -6.2316 -6.2316 -6.2311 0.1274 0.1274 2.4934 2.4966 2.4966 2.4995 2.8819 2.8819 3.1883 3.1907 3.1907 3.1949 10.5435 10.5435 10.7798 10.7798 10.9132 10.9176 11.2670 11.2670 11.3963 11.3965 11.4310 11.4310 k = 0.0357 0.0206 0.0146 ( 8429 PWs) bands (ev): -38.5919 -38.5919 -38.4195 -38.4195 -7.0931 -7.0925 -7.0925 -7.0920 -6.2651 -6.2651 -6.2322 -6.2316 -6.2316 -6.2308 0.1333 0.1333 2.4923 2.4972 2.4972 2.5014 2.8826 2.8826 3.1869 3.1898 3.1898 3.1967 10.3997 10.3997 10.6787 10.6787 10.8470 10.8527 11.3350 11.3350 11.4696 11.4704 11.4917 11.4917 k = 0.0476 0.0275 0.0194 ( 8447 PWs) bands (ev): -38.5919 -38.5919 -38.4195 -38.4195 -7.0932 -7.0924 -7.0924 -7.0919 -6.2651 -6.2651 -6.2323 -6.2317 -6.2317 -6.2304 0.1416 0.1416 2.4914 2.4981 2.4981 2.5035 2.8836 2.8836 3.1856 3.1886 3.1886 3.1986 10.2199 10.2199 10.5961 10.5961 10.7756 10.7823 11.4086 11.4086 11.5238 11.5238 11.5504 11.5526 k = 0.0595 0.0344 0.0243 ( 8453 PWs) bands (ev): -38.5919 -38.5919 -38.4195 -38.4195 -7.0934 -7.0923 -7.0923 -7.0917 -6.2650 -6.2650 -6.2323 -6.2317 -6.2317 -6.2301 0.1523 0.1523 2.4907 2.4992 2.4992 2.5057 2.8849 2.8849 3.1844 3.1870 3.1870 3.2005 10.0246 10.0246 10.5204 10.5204 10.7028 10.7103 11.4845 11.4845 11.5364 11.5364 11.6349 11.6387 k = 0.0714 0.0412 0.0292 ( 8456 PWs) bands (ev): -38.5919 -38.5919 -38.4195 -38.4195 -7.0935 -7.0922 -7.0922 -7.0915 -6.2648 -6.2648 -6.2324 -6.2317 -6.2317 -6.2297 0.1652 0.1652 2.4902 2.5006 2.5006 2.5080 2.8865 2.8865 3.1833 3.1852 3.1852 3.2025 9.8225 9.8225 10.4474 10.4474 10.6301 10.6384 11.5257 11.5257 11.5727 11.5727 11.7204 11.7262 k = 0.0833 0.0481 0.0340 ( 8462 PWs) bands (ev): -38.5918 -38.5918 -38.4195 -38.4195 -7.0936 -7.0920 -7.0920 -7.0913 -6.2647 -6.2647 -6.2324 -6.2317 -6.2317 -6.2293 0.1805 0.1805 2.4898 2.5023 2.5023 2.5104 2.8884 2.8884 3.1824 3.1830 3.1830 3.2046 9.6175 9.6175 10.3759 10.3759 10.5584 10.5675 11.5182 11.5182 11.6493 11.6493 11.8049 11.8130 k = 0.0952 0.0550 0.0389 ( 8462 PWs) bands (ev): -38.5918 -38.5918 -38.4195 -38.4195 -7.0937 -7.0919 -7.0919 -7.0911 -6.2645 -6.2645 -6.2324 -6.2318 -6.2318 -6.2288 0.1981 0.1981 2.4896 2.5043 2.5043 2.5129 2.8906 2.8906 3.1806 3.1806 3.1816 3.2068 9.4112 9.4112 10.3061 10.3061 10.4883 10.4980 11.5033 11.5033 11.7253 11.7253 11.8860 11.8967 k = 0.1071 0.0619 0.0437 ( 8456 PWs) bands (ev): -38.5918 -38.5918 -38.4196 -38.4196 -7.0938 -7.0917 -7.0917 -7.0909 -6.2643 -6.2643 -6.2323 -6.2318 -6.2318 -6.2284 0.2179 0.2179 2.4896 2.5066 2.5066 2.5154 2.8932 2.8932 3.1779 3.1779 3.1811 3.2090 9.2049 9.2049 10.2377 10.2377 10.4200 10.4303 11.4848 11.4848 11.7959 11.7959 11.9606 11.9742 k = 0.1190 0.0687 0.0486 ( 8450 PWs) bands (ev): -38.5918 -38.5918 -38.4196 -38.4196 -7.0939 -7.0915 -7.0915 -7.0908 -6.2641 -6.2641 -6.2322 -6.2319 -6.2319 -6.2279 0.2398 0.2398 2.4897 2.5092 2.5092 2.5180 2.8961 2.8961 3.1750 3.1750 3.1807 3.2113 8.9992 8.9992 10.1711 10.1711 10.3536 10.3645 11.4638 11.4638 11.8572 11.8572 12.0248 12.0413 k = 0.1310 0.0756 0.0535 ( 8444 PWs) bands (ev): -38.5918 -38.5918 -38.4196 -38.4196 -7.0940 -7.0912 -7.0912 -7.0906 -6.2639 -6.2639 -6.2320 -6.2319 -6.2319 -6.2274 0.2639 0.2639 2.4900 2.5121 2.5121 2.5205 2.8993 2.8993 3.1719 3.1719 3.1806 3.2137 8.7946 8.7946 10.1062 10.1062 10.2893 10.3008 11.4413 11.4413 11.9052 11.9052 12.0737 12.0927 k = 0.1429 0.0825 0.0583 ( 8456 PWs) bands (ev): -38.5917 -38.5917 -38.4196 -38.4196 -7.0941 -7.0910 -7.0910 -7.0904 -6.2636 -6.2636 -6.2320 -6.2320 -6.2318 -6.2270 0.2901 0.2901 2.4903 2.5155 2.5155 2.5230 2.9028 2.9028 3.1687 3.1687 3.1808 3.2161 8.5914 8.5914 10.0433 10.0433 10.2272 10.2392 11.4179 11.4179 11.9362 11.9362 12.1029 12.1231 k = 0.1548 0.0894 0.0632 ( 8465 PWs) bands (ev): -38.5917 -38.5917 -38.4196 -38.4196 -7.0941 -7.0908 -7.0908 -7.0903 -6.2633 -6.2633 -6.2320 -6.2320 -6.2316 -6.2265 0.3183 0.3183 2.4908 2.5193 2.5193 2.5254 2.9066 2.9066 3.1653 3.1653 3.1812 3.2186 8.3899 8.3899 9.9822 9.9822 10.1673 10.1799 11.3939 11.3939 11.9480 11.9480 12.1098 12.1296 k = 0.1667 0.0962 0.0680 ( 8471 PWs) bands (ev): -38.5917 -38.5917 -38.4197 -38.4197 -7.0941 -7.0905 -7.0905 -7.0901 -6.2631 -6.2631 -6.2321 -6.2321 -6.2314 -6.2260 0.3484 0.3484 2.4913 2.5235 2.5235 2.5277 2.9107 2.9107 3.1620 3.1620 3.1818 3.2213 8.1904 8.1904 9.9231 9.9231 10.1098 10.1227 11.3697 11.3697 11.9412 11.9412 12.0954 12.1134 k = 0.1786 0.1031 0.0729 ( 8462 PWs) bands (ev): -38.5916 -38.5916 -38.4197 -38.4197 -7.0942 -7.0902 -7.0902 -7.0900 -6.2628 -6.2628 -6.2322 -6.2322 -6.2311 -6.2255 0.3803 0.3803 2.4919 2.5284 2.5284 2.5299 2.9151 2.9151 3.1586 3.1586 3.1828 3.2239 7.9930 7.9930 9.8660 9.8660 10.0545 10.0678 11.3455 11.3455 11.9182 11.9182 12.0633 12.0787 k = 0.1905 0.1100 0.0778 ( 8453 PWs) bands (ev): -38.5916 -38.5916 -38.4197 -38.4197 -7.0942 -7.0899 -7.0899 -7.0899 -6.2625 -6.2625 -6.2322 -6.2322 -6.2308 -6.2250 0.4140 0.4140 2.4926 2.5319 2.5338 2.5338 2.9198 2.9198 3.1553 3.1553 3.1841 3.2267 7.7978 7.7978 9.8110 9.8110 10.0015 10.0152 11.3217 11.3217 11.8826 11.8826 12.0180 12.0306 k = 0.2024 0.1168 0.0826 ( 8447 PWs) bands (ev): -38.5916 -38.5916 -38.4197 -38.4197 -7.0942 -7.0897 -7.0896 -7.0896 -6.2622 -6.2622 -6.2323 -6.2323 -6.2305 -6.2245 0.4494 0.4494 2.4934 2.5338 2.5398 2.5398 2.9246 2.9246 3.1522 3.1522 3.1857 3.2296 7.6051 7.6051 9.7580 9.7580 9.9509 9.9649 11.2983 11.2983 11.8379 11.8379 11.9635 11.9735 k = 0.2143 0.1237 0.0875 ( 8432 PWs) bands (ev): -38.5915 -38.5915 -38.4198 -38.4198 -7.0942 -7.0896 -7.0894 -7.0894 -6.2619 -6.2619 -6.2324 -6.2324 -6.2301 -6.2240 0.4862 0.4862 2.4941 2.5355 2.5467 2.5467 2.9297 2.9297 3.1493 3.1493 3.1876 3.2325 7.4149 7.4149 9.7070 9.7070 9.9026 9.9169 11.2754 11.2754 11.7870 11.7870 11.9029 11.9106 k = 0.2262 0.1306 0.0923 ( 8432 PWs) bands (ev): -38.5915 -38.5915 -38.4198 -38.4198 -7.0941 -7.0895 -7.0890 -7.0890 -6.2616 -6.2616 -6.2324 -6.2324 -6.2297 -6.2235 0.5243 0.5243 2.4949 2.5369 2.5544 2.5544 2.9348 2.9348 3.1468 3.1468 3.1898 3.2355 7.2274 7.2274 9.6582 9.6582 9.8566 9.8712 11.2533 11.2533 11.7319 11.7319 11.8386 11.8443 k = 0.2381 0.1375 0.0972 ( 8432 PWs) bands (ev): -38.5915 -38.5915 -38.4198 -38.4198 -7.0941 -7.0895 -7.0887 -7.0887 -6.2613 -6.2613 -6.2325 -6.2325 -6.2293 -6.2230 0.5637 0.5637 2.4958 2.5382 2.5631 2.5631 2.9400 2.9400 3.1447 3.1447 3.1924 3.2385 7.0427 7.0427 9.6114 9.6114 9.8130 9.8277 11.2318 11.2318 11.6745 11.6745 11.7722 11.7762 k = 0.2500 0.1443 0.1021 ( 8432 PWs) bands (ev): -38.5914 -38.5914 -38.4198 -38.4198 -7.0940 -7.0894 -7.0884 -7.0884 -6.2610 -6.2610 -6.2326 -6.2326 -6.2288 -6.2226 0.6041 0.6041 2.4966 2.5391 2.5728 2.5728 2.9451 2.9451 3.1431 3.1431 3.1953 3.2416 6.8608 6.8608 9.5667 9.5667 9.7717 9.7865 11.2113 11.2113 11.6158 11.6158 11.7049 11.7075 k = 0.2619 0.1512 0.1069 ( 8444 PWs) bands (ev): -38.5914 -38.5914 -38.4199 -38.4199 -7.0939 -7.0893 -7.0881 -7.0881 -6.2606 -6.2606 -6.2326 -6.2326 -6.2284 -6.2222 0.6453 0.6453 2.4975 2.5399 2.5837 2.5837 2.9502 2.9502 3.1423 3.1423 3.1984 3.2447 6.6820 6.6820 9.5241 9.5241 9.7327 9.7476 11.1916 11.1916 11.5570 11.5570 11.6376 11.6390 k = 0.2738 0.1581 0.1118 ( 8438 PWs) bands (ev): -38.5914 -38.5914 -38.4199 -38.4199 -7.0939 -7.0893 -7.0878 -7.0878 -6.2603 -6.2603 -6.2327 -6.2327 -6.2279 -6.2217 0.6870 0.6870 2.4983 2.5404 2.5959 2.5959 2.9550 2.9550 3.1425 3.1425 3.2018 3.2478 6.5062 6.5062 9.4836 9.4836 9.6960 9.7108 11.1728 11.1728 11.4986 11.4986 11.5710 11.5713 k = 0.2857 0.1650 0.1166 ( 8429 PWs) bands (ev): -38.5913 -38.5913 -38.4199 -38.4199 -7.0938 -7.0892 -7.0875 -7.0875 -6.2600 -6.2600 -6.2328 -6.2328 -6.2274 -6.2213 0.7292 0.7292 2.4992 2.5407 2.6094 2.6094 2.9595 2.9595 3.1437 3.1437 3.2055 3.2508 6.3336 6.3336 9.4452 9.4452 9.6615 9.6763 11.1549 11.1549 11.4413 11.4413 11.5051 11.5057 k = 0.2976 0.1718 0.1215 ( 8447 PWs) bands (ev): -38.5913 -38.5913 -38.4200 -38.4200 -7.0937 -7.0892 -7.0872 -7.0872 -6.2597 -6.2597 -6.2328 -6.2328 -6.2269 -6.2210 0.7714 0.7714 2.5001 2.5407 2.6244 2.6244 2.9637 2.9637 3.1462 3.1462 3.2094 3.2538 6.1643 6.1643 9.4088 9.4088 9.6293 9.6439 11.1379 11.1379 11.3856 11.3856 11.4408 11.4421 k = 0.3095 0.1787 0.1264 ( 8441 PWs) bands (ev): -38.5913 -38.5913 -38.4200 -38.4200 -7.0935 -7.0892 -7.0870 -7.0870 -6.2595 -6.2595 -6.2329 -6.2329 -6.2264 -6.2206 0.8134 0.8134 2.5010 2.5405 2.6409 2.6409 2.9674 2.9674 3.1504 3.1504 3.2136 3.2568 5.9984 5.9984 9.3745 9.3745 9.5993 9.6137 11.1219 11.1219 11.3318 11.3318 11.3786 11.3806 k = 0.3214 0.1856 0.1312 ( 8441 PWs) bands (ev): -38.5913 -38.5913 -38.4200 -38.4200 -7.0934 -7.0892 -7.0867 -7.0867 -6.2592 -6.2592 -6.2330 -6.2330 -6.2259 -6.2203 0.8549 0.8549 2.5018 2.5400 2.6590 2.6590 2.9705 2.9705 3.1564 3.1564 3.2178 3.2597 5.8361 5.8361 9.3423 9.3423 9.5714 9.5855 11.1068 11.1068 11.2803 11.2803 11.3190 11.3214 k = 0.3333 0.1925 0.1361 ( 8423 PWs) bands (ev): -38.5912 -38.5912 -38.4200 -38.4200 -7.0933 -7.0893 -7.0864 -7.0864 -6.2589 -6.2589 -6.2330 -6.2330 -6.2254 -6.2200 0.8957 0.8957 2.5027 2.5394 2.6785 2.6785 2.9731 2.9731 3.1645 3.1645 3.2222 3.2624 5.6773 5.6773 9.3122 9.3122 9.5457 9.5594 11.0925 11.0925 11.2313 11.2313 11.2621 11.2650 k = 0.3452 0.1993 0.1409 ( 8453 PWs) bands (ev): -38.5912 -38.5912 -38.4201 -38.4201 -7.0931 -7.0893 -7.0862 -7.0862 -6.2587 -6.2587 -6.2331 -6.2331 -6.2249 -6.2198 0.9352 0.9352 2.5036 2.5385 2.6993 2.6993 2.9751 2.9751 3.1752 3.1752 3.2267 3.2650 5.5224 5.5224 9.2842 9.2842 9.5221 9.5354 11.0790 11.0790 11.1853 11.1853 11.2083 11.2114 k = 0.3571 0.2062 0.1458 ( 8459 PWs) bands (ev): -38.5912 -38.5912 -38.4201 -38.4201 -7.0930 -7.0894 -7.0859 -7.0859 -6.2584 -6.2584 -6.2331 -6.2331 -6.2244 -6.2195 0.9734 0.9734 2.5046 2.5375 2.7213 2.7213 2.9765 2.9765 3.1888 3.1888 3.2312 3.2674 5.3715 5.3715 9.2582 9.2582 9.5006 9.5133 11.0659 11.0659 11.1427 11.1427 11.1576 11.1609 k = 0.3690 0.2131 0.1507 ( 8459 PWs) bands (ev): -38.5912 -38.5912 -38.4201 -38.4201 -7.0928 -7.0894 -7.0857 -7.0857 -6.2582 -6.2582 -6.2332 -6.2332 -6.2239 -6.2194 1.0097 1.0097 2.5055 2.5364 2.7440 2.7440 2.9774 2.9774 3.2057 3.2057 3.2357 3.2696 5.2246 5.2246 9.2343 9.2343 9.4811 9.4931 11.0524 11.0524 11.1044 11.1044 11.1103 11.1137 k = 0.3810 0.2199 0.1555 ( 8471 PWs) bands (ev): -38.5911 -38.5911 -38.4201 -38.4201 -7.0926 -7.0895 -7.0855 -7.0855 -6.2580 -6.2580 -6.2332 -6.2332 -6.2235 -6.2192 1.0440 1.0440 2.5065 2.5351 2.7670 2.7670 2.9779 2.9779 3.2266 3.2266 3.2401 3.2716 5.0822 5.0822 9.2124 9.2124 9.4635 9.4748 11.0362 11.0362 11.0666 11.0701 11.0730 11.0730 k = 0.3929 0.2268 0.1604 ( 8474 PWs) bands (ev): -38.5911 -38.5911 -38.4201 -38.4201 -7.0925 -7.0896 -7.0853 -7.0853 -6.2578 -6.2578 -6.2333 -6.2333 -6.2230 -6.2191 1.0758 1.0758 2.5075 2.5337 2.7898 2.7898 2.9781 2.9781 3.2445 3.2518 3.2518 3.2733 4.9443 4.9443 9.1927 9.1927 9.4479 9.4584 11.0137 11.0137 11.0266 11.0300 11.0522 11.0522 k = 0.4048 0.2337 0.1652 ( 8471 PWs) bands (ev): -38.5911 -38.5911 -38.4202 -38.4202 -7.0923 -7.0897 -7.0851 -7.0851 -6.2576 -6.2576 -6.2333 -6.2333 -6.2225 -6.2190 1.1050 1.1050 2.5086 2.5322 2.8116 2.8116 2.9780 2.9780 3.2487 3.2747 3.2820 3.2820 4.8115 4.8115 9.1750 9.1750 9.4342 9.4438 10.9873 10.9873 10.9905 10.9937 11.0396 11.0396 k = 0.4167 0.2406 0.1701 ( 8465 PWs) bands (ev): -38.5911 -38.5911 -38.4202 -38.4202 -7.0921 -7.0898 -7.0850 -7.0850 -6.2575 -6.2575 -6.2333 -6.2333 -6.2221 -6.2190 1.1313 1.1313 2.5097 2.5306 2.8319 2.8319 2.9776 2.9776 3.2527 3.2758 3.3175 3.3175 4.6841 4.6841 9.1594 9.1594 9.4223 9.4309 10.9584 10.9613 10.9616 10.9616 11.0306 11.0306 k = 0.4286 0.2474 0.1750 ( 8466 PWs) bands (ev): -38.5911 -38.5911 -38.4202 -38.4202 -7.0919 -7.0899 -7.0848 -7.0848 -6.2573 -6.2573 -6.2334 -6.2334 -6.2217 -6.2190 1.1545 1.1545 2.5109 2.5290 2.8501 2.8501 2.9772 2.9772 3.2565 3.2765 3.3583 3.3583 4.5628 4.5628 9.1458 9.1458 9.4122 9.4197 10.9303 10.9330 10.9385 10.9385 11.0236 11.0236 k = 0.4405 0.2543 0.1798 ( 8466 PWs) bands (ev): -38.5910 -38.5910 -38.4202 -38.4202 -7.0917 -7.0901 -7.0847 -7.0847 -6.2572 -6.2572 -6.2334 -6.2334 -6.2213 -6.2190 1.1743 1.1743 2.5122 2.5274 2.8657 2.8657 2.9767 2.9767 3.2601 3.2769 3.4040 3.4040 4.4485 4.4485 9.1344 9.1344 9.4039 9.4102 10.9064 10.9088 10.9186 10.9186 11.0179 11.0179 k = 0.4524 0.2612 0.1847 ( 8472 PWs) bands (ev): -38.5910 -38.5910 -38.4202 -38.4202 -7.0916 -7.0902 -7.0846 -7.0846 -6.2571 -6.2571 -6.2334 -6.2334 -6.2209 -6.2191 1.1907 1.1907 2.5135 2.5257 2.8787 2.8787 2.9763 2.9763 3.2634 3.2769 3.4534 3.4534 4.3428 4.3428 9.1250 9.1250 9.3972 9.4024 10.8868 10.8888 10.9022 10.9022 11.0134 11.0134 k = 0.4643 0.2681 0.1895 ( 8469 PWs) bands (ev): -38.5910 -38.5910 -38.4202 -38.4202 -7.0914 -7.0904 -7.0845 -7.0845 -6.2570 -6.2570 -6.2334 -6.2334 -6.2206 -6.2192 1.2036 1.2036 2.5148 2.5241 2.8887 2.8887 2.9758 2.9758 3.2663 3.2766 3.5040 3.5040 4.2484 4.2484 9.1177 9.1177 9.3922 9.3962 10.8716 10.8731 10.8892 10.8892 11.0099 11.0099 k = 0.4762 0.2749 0.1944 ( 8463 PWs) bands (ev): -38.5910 -38.5910 -38.4202 -38.4202 -7.0912 -7.0905 -7.0845 -7.0845 -6.2570 -6.2570 -6.2334 -6.2334 -6.2203 -6.2193 1.2129 1.2129 2.5162 2.5224 2.8958 2.8958 2.9755 2.9755 3.2690 3.2758 3.5513 3.5513 4.1698 4.1698 9.1125 9.1125 9.3889 9.3915 10.8608 10.8618 10.8800 10.8800 11.0075 11.0075 k = 0.4881 0.2818 0.1993 ( 8457 PWs) bands (ev): -38.5910 -38.5910 -38.4202 -38.4202 -7.0910 -7.0907 -7.0844 -7.0844 -6.2569 -6.2569 -6.2335 -6.2335 -6.2200 -6.2195 1.2184 1.2184 2.5177 2.5208 2.9001 2.9001 2.9753 2.9753 3.2713 3.2747 3.5872 3.5872 4.1151 4.1151 9.1094 9.1094 9.3872 9.3885 10.8543 10.8549 10.8744 10.8744 11.0060 11.0060 k = 0.5000 0.2887 0.2041 ( 8424 PWs) bands (ev): -38.5910 -38.5910 -38.4202 -38.4202 -7.0908 -7.0908 -7.0844 -7.0844 -6.2569 -6.2569 -6.2335 -6.2335 -6.2197 -6.2197 1.2203 1.2203 2.5192 2.5192 2.9015 2.9015 2.9752 2.9752 3.2732 3.2732 3.6010 3.6010 4.0950 4.0950 9.1083 9.1083 9.3871 9.3871 10.8524 10.8524 10.8725 10.8725 11.0056 11.0056 k = 0.5000 0.2887 0.2041 ( 8424 PWs) bands (ev): -38.5910 -38.5910 -38.4202 -38.4202 -7.0908 -7.0908 -7.0844 -7.0844 -6.2569 -6.2569 -6.2335 -6.2335 -6.2197 -6.2197 1.2203 1.2203 2.5192 2.5192 2.9015 2.9015 2.9752 2.9752 3.2732 3.2732 3.6010 3.6010 4.0950 4.0950 9.1083 9.1083 9.3871 9.3871 10.8524 10.8524 10.8725 10.8725 11.0056 11.0056 k = 0.5042 0.2766 0.2109 ( 8449 PWs) bands (ev): -38.5910 -38.5910 -38.4202 -38.4202 -7.0908 -7.0908 -7.0845 -7.0844 -6.2569 -6.2569 -6.2335 -6.2334 -6.2197 -6.2197 1.2200 1.2223 2.5194 2.5194 2.8950 2.9074 2.9749 2.9761 3.2728 3.2728 3.5949 3.6082 4.0956 4.0969 9.0931 9.0944 9.3696 9.3696 10.8601 10.8604 10.8827 10.8844 11.0182 11.0235 k = 0.5083 0.2646 0.2177 ( 8461 PWs) bands (ev): -38.5910 -38.5910 -38.4202 -38.4202 -7.0908 -7.0908 -7.0845 -7.0843 -6.2569 -6.2569 -6.2336 -6.2333 -6.2197 -6.2197 1.2215 1.2260 2.5198 2.5199 2.8878 2.9125 2.9750 2.9776 3.2716 3.2718 3.5899 3.6161 4.0988 4.1014 9.0488 9.0512 9.3214 9.3215 10.8751 10.8753 10.9137 10.9161 11.0679 11.0776 k = 0.5125 0.2526 0.2245 ( 8457 PWs) bands (ev): -38.5910 -38.5910 -38.4202 -38.4202 -7.0908 -7.0908 -7.0846 -7.0842 -6.2569 -6.2569 -6.2336 -6.2331 -6.2197 -6.2197 1.2246 1.2314 2.5205 2.5207 2.8802 2.9169 2.9755 2.9797 3.2695 3.2702 3.5861 3.6247 4.1046 4.1082 8.9762 8.9792 9.2525 9.2530 10.8820 10.8825 10.9671 10.9680 11.1583 11.1708 k = 0.5167 0.2406 0.2313 ( 8469 PWs) bands (ev): -38.5910 -38.5910 -38.4202 -38.4202 -7.0908 -7.0908 -7.0846 -7.0841 -6.2568 -6.2568 -6.2336 -6.2330 -6.2198 -6.2197 1.2295 1.2385 2.5214 2.5219 2.8721 2.9204 2.9763 2.9826 3.2667 3.2681 3.5835 3.6337 4.1132 4.1174 8.8777 8.8807 9.1727 9.1738 10.8805 10.8810 11.0389 11.0395 11.2800 11.2942 k = 0.5208 0.2285 0.2381 ( 8462 PWs) bands (ev): -38.5910 -38.5910 -38.4202 -38.4202 -7.0908 -7.0907 -7.0846 -7.0840 -6.2568 -6.2567 -6.2336 -6.2328 -6.2198 -6.2197 1.2359 1.2473 2.5225 2.5235 2.8637 2.9233 2.9774 2.9862 3.2631 3.2658 3.5821 3.6430 4.1245 4.1290 8.7577 8.7605 9.0880 9.0899 10.8737 10.8739 11.1255 11.1273 11.4223 11.4382 k = 0.5250 0.2165 0.2449 ( 8464 PWs) bands (ev): -38.5910 -38.5910 -38.4202 -38.4202 -7.0907 -7.0907 -7.0847 -7.0838 -6.2567 -6.2566 -6.2336 -6.2327 -6.2198 -6.2197 1.2440 1.2576 2.5238 2.5254 2.8549 2.9254 2.9787 2.9905 3.2589 3.2632 3.5820 3.6524 4.1385 4.1428 8.6220 8.6244 9.0009 9.0036 10.8633 10.8634 11.2248 11.2274 11.5780 11.5956 k = 0.5292 0.2045 0.2518 ( 8463 PWs) bands (ev): -38.5910 -38.5910 -38.4202 -38.4202 -7.0907 -7.0906 -7.0847 -7.0837 -6.2566 -6.2565 -6.2336 -6.2325 -6.2199 -6.2197 1.2535 1.2695 2.5252 2.5278 2.8459 2.9270 2.9802 2.9954 3.2541 3.2605 3.5829 3.6619 4.1553 4.1588 8.4756 8.4776 8.9122 8.9157 10.8501 10.8506 11.3344 11.3377 11.7421 11.7616 k = 0.5333 0.1925 0.2586 ( 8455 PWs) bands (ev): -38.5910 -38.5910 -38.4203 -38.4203 -7.0907 -7.0906 -7.0847 -7.0836 -6.2566 -6.2564 -6.2336 -6.2322 -6.2200 -6.2197 1.2646 1.2829 2.5267 2.5306 2.8368 2.9281 2.9819 3.0008 3.2490 3.2578 3.5849 3.6712 4.1748 4.1769 8.3225 8.3243 8.8226 8.8266 10.8350 10.8357 11.4526 11.4564 11.9113 11.9328 k = 0.5375 0.1804 0.2654 ( 8455 PWs) bands (ev): -38.5910 -38.5910 -38.4203 -38.4203 -7.0906 -7.0905 -7.0847 -7.0834 -6.2565 -6.2563 -6.2336 -6.2320 -6.2200 -6.2197 1.2770 1.2977 2.5283 2.5339 2.8274 2.9290 2.9836 3.0067 3.2435 3.2552 3.5878 3.6804 4.1969 4.1971 8.1653 8.1670 8.7324 8.7369 10.8184 10.8193 11.5780 11.5822 12.0831 12.1067 k = 0.5417 0.1684 0.2722 ( 8451 PWs) bands (ev): -38.5910 -38.5910 -38.4203 -38.4203 -7.0906 -7.0904 -7.0847 -7.0833 -6.2564 -6.2561 -6.2335 -6.2317 -6.2201 -6.2197 1.2906 1.3138 2.5298 2.5377 2.8180 2.9297 2.9855 3.0131 3.2380 3.2527 3.5916 3.6895 4.2192 4.2215 8.0061 8.0079 8.6422 8.6471 10.8006 10.8017 11.7095 11.7140 12.2554 12.2812 k = 0.5458 0.1564 0.2790 ( 8453 PWs) bands (ev): -38.5909 -38.5909 -38.4203 -38.4203 -7.0905 -7.0903 -7.0847 -7.0831 -6.2563 -6.2559 -6.2335 -6.2315 -6.2202 -6.2196 1.3055 1.3311 2.5314 2.5419 2.8085 2.9303 2.9874 3.0198 3.2325 3.2505 3.5962 3.6986 4.2432 4.2485 7.8463 7.8483 8.5523 8.5575 10.7820 10.7831 11.8462 11.8510 12.4265 12.4543 k = 0.5500 0.1443 0.2858 ( 8459 PWs) bands (ev): -38.5909 -38.5909 -38.4203 -38.4203 -7.0905 -7.0902 -7.0847 -7.0829 -6.2562 -6.2558 -6.2334 -6.2311 -6.2203 -6.2196 1.3214 1.3494 2.5329 2.5466 2.7990 2.9309 2.9893 3.0268 3.2271 3.2486 3.6016 3.7077 4.2689 4.2776 7.6869 7.6893 8.4633 8.4687 10.7627 10.7638 11.9876 11.9927 12.5946 12.6243 k = 0.5542 0.1323 0.2926 ( 8445 PWs) bands (ev): -38.5909 -38.5909 -38.4203 -38.4203 -7.0904 -7.0901 -7.0848 -7.0827 -6.2561 -6.2556 -6.2334 -6.2308 -6.2205 -6.2195 1.3382 1.3687 2.5343 2.5519 2.7895 2.9316 2.9912 3.0341 3.2219 3.2471 3.6078 3.7169 4.2961 4.3087 7.5288 7.5317 8.3753 8.3810 10.7431 10.7442 12.1331 12.1384 12.7579 12.7892 k = 0.5583 0.1203 0.2994 ( 8442 PWs) bands (ev): -38.5909 -38.5909 -38.4203 -38.4203 -7.0904 -7.0900 -7.0848 -7.0826 -6.2560 -6.2554 -6.2333 -6.2305 -6.2206 -6.2194 1.3558 1.3888 2.5355 2.5577 2.7801 2.9325 2.9931 3.0417 3.2171 3.2460 3.6148 3.7263 4.3246 4.3416 7.3726 7.3763 8.2888 8.2947 10.7232 10.7242 12.2823 12.2878 12.9142 12.9465 k = 0.5625 0.1083 0.3062 ( 8442 PWs) bands (ev): -38.5909 -38.5909 -38.4203 -38.4203 -7.0903 -7.0899 -7.0848 -7.0824 -6.2559 -6.2552 -6.2333 -6.2301 -6.2208 -6.2193 1.3741 1.4095 2.5366 2.5640 2.7708 2.9336 2.9949 3.0494 3.2128 3.2453 3.6228 3.7361 4.3542 4.3759 7.2190 7.2238 8.2040 8.2100 10.7033 10.7042 12.4348 12.4406 13.0606 13.0929 k = 0.5667 0.0962 0.3130 ( 8436 PWs) bands (ev): -38.5909 -38.5909 -38.4203 -38.4203 -7.0902 -7.0897 -7.0848 -7.0822 -6.2558 -6.2551 -6.2332 -6.2297 -6.2209 -6.2192 1.3928 1.4307 2.5374 2.5708 2.7615 2.9350 2.9966 3.0572 3.2089 3.2450 3.6319 3.7465 4.3845 4.4114 7.0686 7.0748 8.1211 8.1272 10.6836 10.6844 12.5904 12.5965 13.1926 13.2236 k = 0.5708 0.0842 0.3198 ( 8444 PWs) bands (ev): -38.5909 -38.5909 -38.4203 -38.4203 -7.0902 -7.0896 -7.0848 -7.0821 -6.2558 -6.2549 -6.2332 -6.2293 -6.2211 -6.2191 1.4119 1.4521 2.5380 2.5781 2.7525 2.9366 2.9982 3.0649 3.2057 3.2453 3.6421 3.7576 4.4152 4.4477 6.9220 6.9299 8.0403 8.0465 10.6641 10.6648 12.7487 12.7552 13.3038 13.3317 k = 0.5750 0.0722 0.3266 ( 8442 PWs) bands (ev): -38.5909 -38.5908 -38.4204 -38.4203 -7.0901 -7.0894 -7.0849 -7.0819 -6.2557 -6.2547 -6.2332 -6.2289 -6.2213 -6.2189 1.4311 1.4736 2.5383 2.5859 2.7436 2.9386 2.9996 3.0724 3.2032 3.2460 3.6537 3.7695 4.4458 4.4844 6.7799 6.7899 7.9618 7.9680 10.6451 10.6455 12.9094 12.9164 13.3852 13.4080 k = 0.5792 0.0601 0.3334 ( 8452 PWs) bands (ev): -38.5908 -38.5908 -38.4204 -38.4204 -7.0900 -7.0893 -7.0849 -7.0817 -6.2556 -6.2546 -6.2331 -6.2285 -6.2215 -6.2188 1.4502 1.4949 2.5382 2.5942 2.7350 2.9409 3.0008 3.0796 3.2014 3.2472 3.6667 3.7825 4.4758 4.5209 6.6430 6.6556 7.8857 7.8920 10.6265 10.6268 13.0720 13.0799 13.4277 13.4439 k = 0.5833 0.0481 0.3402 ( 8458 PWs) bands (ev): -38.5908 -38.5908 -38.4204 -38.4204 -7.0899 -7.0891 -7.0849 -7.0816 -6.2556 -6.2544 -6.2331 -6.2280 -6.2217 -6.2186 1.4691 1.5160 2.5379 2.6028 2.7266 2.9436 3.0019 3.0864 3.2005 3.2488 3.6814 3.7967 4.5044 4.5566 6.5122 6.5279 7.8123 7.8186 10.6086 10.6086 13.2349 13.2451 13.4288 13.4378 k = 0.5875 0.0361 0.3470 ( 8454 PWs) bands (ev): -38.5908 -38.5908 -38.4204 -38.4204 -7.0899 -7.0890 -7.0850 -7.0815 -6.2555 -6.2542 -6.2331 -6.2276 -6.2219 -6.2184 1.4877 1.5364 2.5373 2.6116 2.7186 2.9464 3.0028 3.0925 3.2004 3.2508 3.6980 3.8121 4.5309 4.5908 6.3886 6.4080 7.7416 7.7479 10.5911 10.5914 13.3634 13.3863 13.4213 13.4286 k = 0.5917 0.0241 0.3538 ( 8452 PWs) bands (ev): -38.5908 -38.5908 -38.4204 -38.4204 -7.0898 -7.0888 -7.0850 -7.0813 -6.2555 -6.2541 -6.2331 -6.2271 -6.2222 -6.2182 1.5056 1.5561 2.5364 2.6204 2.7110 2.9495 3.0036 3.0979 3.2010 3.2530 3.7165 3.8290 4.5544 4.6224 6.2734 6.2970 7.6738 7.6801 10.5744 10.5749 13.3155 13.3249 13.5788 13.5832 k = 0.5958 0.0120 0.3606 ( 8450 PWs) bands (ev): -38.5908 -38.5908 -38.4204 -38.4204 -7.0897 -7.0887 -7.0851 -7.0812 -6.2554 -6.2540 -6.2330 -6.2267 -6.2224 -6.2181 1.5227 1.5747 2.5351 2.6290 2.7042 2.9528 3.0042 3.1025 3.2023 3.2556 3.7369 3.8472 4.5737 4.6504 6.1681 6.1965 7.6091 7.6153 10.5585 10.5592 13.2338 13.2406 13.7460 13.7523 k = 0.6000-0.0000 0.3674 ( 8448 PWs) bands (ev): -38.5908 -38.5908 -38.4204 -38.4204 -7.0896 -7.0885 -7.0851 -7.0811 -6.2554 -6.2539 -6.2330 -6.2262 -6.2226 -6.2179 1.5388 1.5922 2.5336 2.6367 2.6986 2.9561 3.0048 3.1064 3.2042 3.2583 3.7593 3.8668 4.5878 4.6733 6.0745 6.1080 7.5474 7.5535 10.5434 10.5444 13.1404 13.1460 13.9141 13.9217 k = 0.6042-0.0120 0.3742 ( 8460 PWs) bands (ev): -38.5908 -38.5908 -38.4204 -38.4204 -7.0895 -7.0884 -7.0852 -7.0811 -6.2554 -6.2538 -6.2330 -6.2258 -6.2228 -6.2177 1.5538 1.6082 2.5319 2.6427 2.6948 2.9593 3.0053 3.1096 3.2063 3.2610 3.7833 3.8875 4.5957 4.6900 5.9946 6.0332 7.4890 7.4950 10.5293 10.5306 13.0403 13.0453 14.0811 14.0899 k = 0.6083-0.0241 0.3810 ( 8460 PWs) bands (ev): -38.5908 -38.5908 -38.4204 -38.4204 -7.0894 -7.0882 -7.0852 -7.0810 -6.2554 -6.2537 -6.2330 -6.2254 -6.2230 -6.2175 1.5674 1.6227 2.5299 2.6459 2.6938 2.9624 3.0058 3.1122 3.2085 3.2638 3.8084 3.9089 4.5968 4.6993 5.9304 5.9736 7.4340 7.4399 10.5161 10.5177 12.9367 12.9413 14.2446 14.2548 k = 0.6125-0.0361 0.3878 ( 8470 PWs) bands (ev): -38.5908 -38.5908 -38.4204 -38.4204 -7.0893 -7.0881 -7.0853 -7.0810 -6.2554 -6.2537 -6.2330 -6.2251 -6.2231 -6.2174 1.5795 1.6354 2.5278 2.6457 2.6960 2.9653 3.0063 3.1144 3.2106 3.2665 3.8337 3.9302 4.5914 4.7007 5.8832 5.9301 7.3824 7.3881 10.5039 10.5058 12.8313 12.8356 14.4013 14.4131 k = 0.6167-0.0481 0.3946 ( 8472 PWs) bands (ev): -38.5908 -38.5908 -38.4205 -38.4204 -7.0893 -7.0880 -7.0853 -7.0809 -6.2554 -6.2536 -6.2330 -6.2249 -6.2231 -6.2173 1.5900 1.6462 2.5255 2.6426 2.7008 2.9679 3.0069 3.1160 3.2123 3.2690 3.8576 3.9501 4.5811 4.6951 5.8540 5.9031 7.3344 7.3399 10.4927 10.4950 12.7254 12.7295 14.5454 14.5591 k = 0.6208-0.0601 0.4014 ( 8468 PWs) bands (ev): -38.5908 -38.5908 -38.4205 -38.4205 -7.0892 -7.0879 -7.0853 -7.0809 -6.2554 -6.2536 -6.2330 -6.2249 -6.2229 -6.2171 1.5987 1.6548 2.5231 2.6378 2.7069 2.9700 3.0076 3.1173 3.2136 3.2713 3.8781 3.9671 4.5686 4.6848 5.8425 5.8921 7.2901 7.2954 10.4826 10.4852 12.6197 12.6238 14.6687 14.6842 k = 0.6250-0.0722 0.4082 ( 8488 PWs) bands (ev): -38.5908 -38.5908 -38.4205 -38.4205 -7.0891 -7.0879 -7.0854 -7.0809 -6.2554 -6.2536 -6.2329 -6.2250 -6.2227 -6.2170 1.6055 1.6613 2.5207 2.6320 2.7132 2.9717 3.0084 3.1181 3.2144 3.2734 3.8923 3.9788 4.5582 4.6737 5.8472 5.8958 7.2496 7.2546 10.4735 10.4765 12.5150 12.5190 14.7621 14.7785 k = 0.6250-0.0722 0.4082 ( 8488 PWs) bands (ev): -38.5908 -38.5908 -38.4205 -38.4205 -7.0891 -7.0879 -7.0854 -7.0809 -6.2554 -6.2536 -6.2329 -6.2250 -6.2227 -6.2170 1.6055 1.6613 2.5207 2.6320 2.7132 2.9717 3.0084 3.1181 3.2144 3.2734 3.8923 3.9788 4.5582 4.6737 5.8472 5.8958 7.2496 7.2546 10.4735 10.4765 12.5150 12.5190 14.7621 14.7785 k = 0.6176-0.0679 0.4203 ( 8468 PWs) bands (ev): -38.5908 -38.5907 -38.4205 -38.4205 -7.0891 -7.0879 -7.0854 -7.0809 -6.2554 -6.2536 -6.2329 -6.2250 -6.2227 -6.2170 1.6057 1.6616 2.5211 2.6321 2.7128 2.9710 3.0091 3.1182 3.2144 3.2731 3.8930 3.9796 4.5584 4.6737 5.8483 5.8969 7.2417 7.2467 10.4847 10.4878 12.5151 12.5192 14.7310 14.7559 k = 0.6103-0.0637 0.4323 ( 8470 PWs) bands (ev): -38.5908 -38.5907 -38.4205 -38.4205 -7.0891 -7.0879 -7.0854 -7.0809 -6.2554 -6.2536 -6.2329 -6.2250 -6.2227 -6.2171 1.6063 1.6626 2.5225 2.6325 2.7118 2.9693 3.0111 3.1182 3.2144 3.2722 3.8952 3.9823 4.5587 4.6738 5.8516 5.9002 7.2184 7.2235 10.5179 10.5214 12.5154 12.5198 14.6554 14.6900 k = 0.6029-0.0594 0.4443 ( 8475 PWs) bands (ev): -38.5908 -38.5907 -38.4205 -38.4205 -7.0891 -7.0878 -7.0854 -7.0809 -6.2555 -6.2535 -6.2329 -6.2249 -6.2227 -6.2172 1.6072 1.6642 2.5248 2.6331 2.7101 2.9668 3.0139 3.1184 3.2143 3.2708 3.8988 3.9867 4.5592 4.6738 5.8572 5.9057 7.1808 7.1861 10.5719 10.5760 12.5160 12.5207 14.5558 14.5951 k = 0.5956-0.0552 0.4563 ( 8473 PWs) bands (ev): -38.5908 -38.5907 -38.4205 -38.4205 -7.0891 -7.0878 -7.0854 -7.0808 -6.2555 -6.2534 -6.2329 -6.2247 -6.2227 -6.2173 1.6085 1.6664 2.5281 2.6338 2.7077 2.9640 3.0169 3.1189 3.2141 3.2689 3.9039 3.9927 4.5599 4.6736 5.8649 5.9134 7.1305 7.1364 10.6450 10.6498 12.5167 12.5220 14.4440 14.4850 k = 0.5882-0.0509 0.4683 ( 8469 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0892 -7.0877 -7.0855 -7.0808 -6.2555 -6.2533 -6.2330 -6.2246 -6.2227 -6.2174 1.6101 1.6691 2.5322 2.6348 2.7047 2.9613 3.0199 3.1197 3.2139 3.2665 3.9104 4.0005 4.5605 4.6733 5.8749 5.9232 7.0698 7.0766 10.7352 10.7407 12.5175 12.5235 14.3266 14.3678 k = 0.5809-0.0467 0.4803 ( 8466 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0892 -7.0876 -7.0855 -7.0807 -6.2556 -6.2532 -6.2330 -6.2244 -6.2227 -6.2176 1.6121 1.6723 2.5371 2.6358 2.7011 2.9587 3.0224 3.1211 3.2135 3.2639 3.9183 4.0098 4.5610 4.6724 5.8869 5.9352 7.0006 7.0090 10.8401 10.8461 12.5182 12.5251 14.2073 14.2480 k = 0.5735-0.0425 0.4923 ( 8458 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0892 -7.0876 -7.0856 -7.0807 -6.2556 -6.2531 -6.2330 -6.2242 -6.2228 -6.2178 1.6142 1.6758 2.5428 2.6370 2.6969 2.9565 3.0243 3.1230 3.2129 3.2610 3.9276 4.0206 4.5611 4.6710 5.9010 5.9492 6.9254 6.9359 10.9572 10.9638 12.5188 12.5268 14.0882 14.1283 k = 0.5662-0.0382 0.5043 ( 8458 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0893 -7.0875 -7.0857 -7.0806 -6.2557 -6.2529 -6.2330 -6.2240 -6.2228 -6.2180 1.6166 1.6795 2.5493 2.6382 2.6922 2.9547 3.0254 3.1257 3.2122 3.2580 3.9382 4.0328 4.5608 4.6686 5.9170 5.9653 6.8463 6.8597 11.0840 11.0912 12.5192 12.5284 13.9711 14.0104 k = 0.5588-0.0340 0.5163 ( 8459 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0893 -7.0874 -7.0857 -7.0805 -6.2557 -6.2528 -6.2330 -6.2237 -6.2228 -6.2182 1.6191 1.6834 2.5565 2.6394 2.6869 2.9533 3.0258 3.1291 3.2112 3.2551 3.9501 4.0463 4.5597 4.6653 5.9348 5.9834 6.7654 6.7824 11.2179 11.2257 12.5194 12.5299 13.8572 13.8959 k = 0.5515-0.0297 0.5283 ( 8461 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0893 -7.0873 -7.0858 -7.0805 -6.2558 -6.2527 -6.2330 -6.2235 -6.2228 -6.2184 1.6217 1.6874 2.5642 2.6405 2.6812 2.9523 3.0254 3.1330 3.2099 3.2522 3.9630 4.0607 4.5577 4.6607 5.9540 6.0034 6.6846 6.7062 11.3560 11.3644 12.5193 12.5314 13.7477 13.7861 k = 0.5441-0.0255 0.5403 ( 8468 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0893 -7.0872 -7.0859 -7.0804 -6.2558 -6.2526 -6.2330 -6.2233 -6.2227 -6.2187 1.6242 1.6912 2.5723 2.6415 2.6752 2.9517 3.0245 3.1373 3.2084 3.2495 3.9768 4.0759 4.5547 4.6547 5.9743 6.0250 6.6058 6.6331 11.4947 11.5039 12.5194 12.5334 13.6442 13.6823 k = 0.5368-0.0212 0.5523 ( 8461 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0894 -7.0871 -7.0860 -7.0803 -6.2558 -6.2525 -6.2330 -6.2231 -6.2226 -6.2190 1.6267 1.6948 2.5807 2.6422 2.6689 2.9514 3.0232 3.1417 3.2068 3.2472 3.9912 4.0913 4.5506 4.6474 5.9951 6.0482 6.5309 6.5652 11.6297 11.6399 12.5203 12.5365 13.5482 13.5861 k = 0.5294-0.0170 0.5643 ( 8457 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0894 -7.0870 -7.0860 -7.0803 -6.2558 -6.2524 -6.2330 -6.2230 -6.2225 -6.2192 1.6289 1.6980 2.5893 2.6428 2.6626 2.9514 3.0217 3.1460 3.2052 3.2452 4.0056 4.1065 4.5454 4.6390 6.0153 6.0723 6.4617 6.5046 11.7548 11.7662 12.5235 12.5423 13.4620 13.4998 k = 0.5221-0.0127 0.5764 ( 8447 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0894 -7.0869 -7.0861 -7.0802 -6.2558 -6.2524 -6.2330 -6.2229 -6.2223 -6.2195 1.6308 1.7008 2.5976 2.6429 2.6565 2.9516 3.0204 3.1498 3.2038 3.2435 4.0192 4.1206 4.5396 4.6301 6.0336 6.0967 6.4004 6.4538 11.8623 11.8749 12.5310 12.5527 13.3885 13.4260 k = 0.5147-0.0085 0.5884 ( 8446 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0894 -7.0868 -7.0862 -7.0802 -6.2558 -6.2523 -6.2330 -6.2228 -6.2222 -6.2197 1.6324 1.7029 2.6052 2.6424 2.6512 2.9518 3.0193 3.1527 3.2027 3.2423 4.0310 4.1326 4.5337 4.6216 6.0482 6.1193 6.3503 6.4155 11.9433 11.9569 12.5439 12.5684 13.3320 13.3689 k = 0.5074-0.0042 0.6004 ( 8432 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0894 -7.0867 -7.0863 -7.0802 -6.2558 -6.2523 -6.2330 -6.2228 -6.2221 -6.2198 1.6334 1.7043 2.6111 2.6411 2.6479 2.9519 3.0185 3.1546 3.2021 3.2415 4.0395 4.1411 4.5289 4.6150 6.0572 6.1366 6.3160 6.3919 11.9913 12.0054 12.5588 12.5855 13.2971 13.3329 k = 0.5000-0.0000 0.6124 ( 8432 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0894 -7.0867 -7.0863 -7.0802 -6.2558 -6.2523 -6.2330 -6.2227 -6.2221 -6.2199 1.6337 1.7048 2.6134 2.6402 2.6468 2.9520 3.0183 3.1552 3.2019 3.2412 4.0427 4.1443 4.5269 4.6124 6.0600 6.1430 6.3038 6.3841 12.0063 12.0204 12.5664 12.5937 13.2862 13.3211 k = 0.5000-0.0000 0.6124 ( 8432 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0894 -7.0867 -7.0863 -7.0802 -6.2558 -6.2523 -6.2330 -6.2227 -6.2221 -6.2199 1.6337 1.7048 2.6134 2.6402 2.6468 2.9520 3.0183 3.1552 3.2019 3.2412 4.0427 4.1443 4.5269 4.6124 6.0600 6.1430 6.3038 6.3841 12.0063 12.0204 12.5664 12.5937 13.2862 13.3211 k = 0.5000 0.0085 0.6004 ( 8432 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0894 -7.0867 -7.0863 -7.0802 -6.2558 -6.2523 -6.2330 -6.2228 -6.2220 -6.2199 1.6328 1.7038 2.6131 2.6379 2.6491 2.9520 3.0180 3.1548 3.2020 3.2411 4.0370 4.1388 4.5310 4.6179 6.0532 6.1305 6.3246 6.3976 11.9988 12.0124 12.5702 12.5966 13.2821 13.3197 k = 0.5000 0.0170 0.5884 ( 8446 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0894 -7.0869 -7.0862 -7.0802 -6.2558 -6.2523 -6.2330 -6.2230 -6.2219 -6.2198 1.6301 1.7006 2.6122 2.6339 2.6533 2.9522 3.0174 3.1535 3.2023 3.2408 4.0209 4.1232 4.5428 4.6329 6.0368 6.1057 6.3745 6.4346 11.9774 11.9897 12.5795 12.6033 13.2733 13.3165 k = 0.5000 0.0255 0.5764 ( 8452 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0894 -7.0870 -7.0860 -7.0802 -6.2558 -6.2524 -6.2330 -6.2233 -6.2218 -6.2198 1.6255 1.6955 2.6108 2.6295 2.6578 2.9523 3.0164 3.1515 3.2027 3.2402 3.9969 4.0998 4.5598 4.6536 6.0189 6.0827 6.4391 6.4882 11.9446 11.9553 12.5894 12.6092 13.2667 13.3153 k = 0.5000 0.0340 0.5643 ( 8454 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0895 -7.0872 -7.0859 -7.0803 -6.2558 -6.2524 -6.2330 -6.2236 -6.2217 -6.2198 1.6192 1.6883 2.6089 2.6248 2.6626 2.9524 3.0150 3.1486 3.2034 3.2394 3.9677 4.0714 4.5790 4.6757 6.0063 6.0677 6.5124 6.5531 11.9035 11.9128 12.5939 12.6084 13.2697 13.3213 k = 0.5000 0.0425 0.5523 ( 8454 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0895 -7.0874 -7.0858 -7.0803 -6.2558 -6.2525 -6.2330 -6.2240 -6.2216 -6.2197 1.6112 1.6792 2.6065 2.6200 2.6677 2.9525 3.0135 3.1451 3.2042 3.2383 3.9357 4.0403 4.5972 4.6955 6.0036 6.0637 6.5919 6.6262 11.8567 11.8650 12.5881 12.5965 13.2875 13.3396 k = 0.5000 0.0509 0.5403 ( 8454 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0895 -7.0876 -7.0857 -7.0804 -6.2558 -6.2526 -6.2330 -6.2244 -6.2215 -6.2197 1.6015 1.6682 2.6037 2.6150 2.6730 2.9522 3.0119 3.1408 3.2051 3.2370 3.9028 4.0083 4.6119 4.7098 6.0140 6.0724 6.6763 6.7053 11.8065 11.8142 12.5690 12.5724 13.3219 13.3727 k = 0.5000 0.0594 0.5283 ( 8456 PWs) bands (ev): -38.5908 -38.5907 -38.4204 -38.4204 -7.0896 -7.0877 -7.0855 -7.0805 -6.2558 -6.2527 -6.2330 -6.2248 -6.2214 -6.2196 1.5902 1.6554 2.6005 2.6100 2.6787 2.9517 3.0104 3.1359 3.2062 3.2354 3.8700 3.9769 4.6212 4.7168 6.0391 6.0951 6.7647 6.7894 11.7543 11.7617 12.5335 12.5403 13.3721 13.4204 k = 0.5000 0.0679 0.5163 ( 8460 PWs) bands (ev): -38.5908 -38.5908 -38.4204 -38.4204 -7.0896 -7.0879 -7.0854 -7.0806 -6.2558 -6.2529 -6.2330 -6.2252 -6.2213 -6.2196 1.5774 1.6409 2.5970 2.6049 2.6846 2.9509 3.0089 3.1305 3.2073 3.2337 3.8384 3.9467 4.6239 4.7156 6.0796 6.1322 6.8567 6.8777 11.7013 11.7086 12.4867 12.4991 13.4354 13.4808 k = 0.5000 0.0764 0.5043 ( 8458 PWs) bands (ev): -38.5908 -38.5908 -38.4204 -38.4204 -7.0897 -7.0881 -7.0853 -7.0807 -6.2558 -6.2530 -6.2330 -6.2256 -6.2212 -6.2196 1.5633 1.6249 2.5932 2.5997 2.6908 2.9496 3.0077 3.1246 3.2086 3.2318 3.8085 3.9183 4.6198 4.7061 6.1352 6.1835 6.9517 6.9695 11.6482 11.6557 12.4324 12.4500 13.5090 13.5517 k = 0.5000 0.0849 0.4923 ( 8458 PWs) bands (ev): -38.5908 -38.5908 -38.4204 -38.4204 -7.0897 -7.0883 -7.0853 -7.0808 -6.2558 -6.2532 -6.2330 -6.2261 -6.2211 -6.2196 1.5479 1.6074 2.5891 2.5947 2.6973 2.9481 3.0066 3.1183 3.2098 3.2300 3.7807 3.8920 4.6091 4.6892 6.2049 6.2484 7.0494 7.0644 11.5957 11.6033 12.3728 12.3948 13.5903 13.6305 k = 0.5000 0.0934 0.4803 ( 8458 PWs) bands (ev): -38.5908 -38.5908 -38.4204 -38.4204 -7.0898 -7.0885 -7.0852 -7.0810 -6.2558 -6.2534 -6.2330 -6.2265 -6.2211 -6.2196 1.5314 1.5886 2.5847 2.5898 2.7041 2.9462 3.0056 3.1116 3.2109 3.2283 3.7551 3.8679 4.5927 4.6659 6.2874 6.3257 7.1495 7.1621 11.5442 11.5520 12.3096 12.3353 13.6773 13.7150 k = 0.5000 0.1019 0.4683 ( 8460 PWs) bands (ev): -38.5908 -38.5908 -38.4204 -38.4204 -7.0899 -7.0887 -7.0851 -7.0811 -6.2558 -6.2535 -6.2330 -6.2270 -6.2210 -6.2196 1.5139 1.5688 2.5802 2.5850 2.7112 2.9442 3.0047 3.1046 3.2119 3.2271 3.7319 3.8459 4.5715 4.6377 6.3811 6.4144 7.2518 7.2624 11.4939 11.5019 12.2437 12.2726 13.7682 13.8033 k = 0.5000 0.1104 0.4563 ( 8454 PWs) bands (ev): -38.5908 -38.5908 -38.4204 -38.4204 -7.0899 -7.0888 -7.0850 -7.0813 -6.2558 -6.2537 -6.2331 -6.2274 -6.2209 -6.2196 1.4956 1.5481 2.5755 2.5803 2.7187 2.9422 3.0038 3.0974 3.2126 3.2265 3.7110 3.8260 4.5464 4.6057 6.4847 6.5132 7.3560 7.3648 11.4452 11.4533 12.1760 12.2075 13.8610 13.8929 k = 0.5000 0.1189 0.4443 ( 8452 PWs) bands (ev): -38.5908 -38.5908 -38.4204 -38.4204 -7.0900 -7.0890 -7.0850 -7.0814 -6.2558 -6.2539 -6.2331 -6.2279 -6.2208 -6.2196 1.4767 1.5267 2.5709 2.5756 2.7264 2.9402 3.0028 3.0899 3.2131 3.2267 3.6923 3.8080 4.5185 4.5710 6.5969 6.6209 7.4618 7.4694 11.3981 11.4063 12.1068 12.1406 13.9537 13.9803 k = 0.5000 0.1274 0.4323 ( 8446 PWs) bands (ev): -38.5908 -38.5908 -38.4204 -38.4204 -7.0900 -7.0892 -7.0849 -7.0816 -6.2559 -6.2542 -6.2331 -6.2283 -6.2207 -6.2196 1.4574 1.5047 2.5664 2.5710 2.7344 2.9383 3.0017 3.0822 3.2136 3.2275 3.6757 3.7918 4.4886 4.5347 6.7167 6.7366 7.5691 7.5758 11.3528 11.3612 12.0366 12.0724 14.0415 14.0571 k = 0.5000 0.1358 0.4203 ( 8448 PWs) bands (ev): -38.5909 -38.5908 -38.4204 -38.4204 -7.0901 -7.0893 -7.0849 -7.0818 -6.2559 -6.2544 -6.2331 -6.2288 -6.2206 -6.2196 1.4378 1.4825 2.5619 2.5665 2.7428 2.9366 3.0005 3.0744 3.2142 3.2290 3.6610 3.7772 4.4576 4.4974 6.8430 6.8592 7.6775 7.6839 11.3095 11.3179 11.9655 12.0029 14.0472 14.1187 k = 0.5000 0.1443 0.4082 ( 8440 PWs) bands (ev): -38.5909 -38.5909 -38.4203 -38.4203 -7.0902 -7.0895 -7.0849 -7.0820 -6.2559 -6.2546 -6.2332 -6.2292 -6.2206 -6.2197 1.4181 1.4602 2.5577 2.5620 2.7513 2.9351 2.9990 3.0665 3.2153 3.2308 3.6481 3.7639 4.4259 4.4599 6.9751 6.9880 7.7868 7.7934 11.2682 11.2766 11.8937 11.9325 13.8851 13.9611 k = 0.5000 0.1528 0.3962 ( 8448 PWs) bands (ev): -38.5909 -38.5909 -38.4203 -38.4203 -7.0902 -7.0897 -7.0848 -7.0821 -6.2560 -6.2548 -6.2332 -6.2296 -6.2205 -6.2197 1.3986 1.4380 2.5536 2.5577 2.7601 2.9338 2.9975 3.0586 3.2170 3.2330 3.6367 3.7517 4.3942 4.4227 7.1123 7.1224 7.8969 7.9040 11.2289 11.2374 11.8212 11.8610 13.6838 13.7525 k = 0.5000 0.1613 0.3842 ( 8454 PWs) bands (ev): -38.5909 -38.5909 -38.4203 -38.4203 -7.0903 -7.0898 -7.0848 -7.0823 -6.2560 -6.2550 -6.2333 -6.2300 -6.2204 -6.2197 1.3794 1.4160 2.5498 2.5534 2.7692 2.9328 2.9957 3.0508 3.2192 3.2354 3.6266 3.7404 4.3629 4.3862 7.2540 7.2616 8.0076 8.0154 11.1918 11.2003 11.7480 11.7887 13.4741 13.5370 k = 0.5000 0.1698 0.3722 ( 8456 PWs) bands (ev): -38.5909 -38.5909 -38.4203 -38.4203 -7.0904 -7.0899 -7.0848 -7.0825 -6.2561 -6.2552 -6.2333 -6.2304 -6.2203 -6.2197 1.3606 1.3946 2.5461 2.5494 2.7784 2.9319 2.9939 3.0430 3.2222 3.2380 3.6178 3.7298 4.3323 4.3508 7.3996 7.4050 8.1185 8.1273 11.1568 11.1653 11.6742 11.7155 13.2614 13.3192 k = 0.5000 0.1783 0.3602 ( 8458 PWs) bands (ev): -38.5909 -38.5909 -38.4203 -38.4203 -7.0904 -7.0901 -7.0848 -7.0827 -6.2562 -6.2555 -6.2334 -6.2307 -6.2202 -6.2198 1.3424 1.3738 2.5426 2.5455 2.7878 2.9313 2.9919 3.0354 3.2257 3.2408 3.6101 3.7198 4.3029 4.3169 7.5485 7.5522 8.2296 8.2393 11.1240 11.1325 11.5999 11.6415 13.0479 13.1010 k = 0.5000 0.1868 0.3482 ( 8460 PWs) bands (ev): -38.5909 -38.5909 -38.4203 -38.4203 -7.0905 -7.0902 -7.0847 -7.0829 -6.2562 -6.2557 -6.2334 -6.2311 -6.2202 -6.2198 1.3251 1.3539 2.5394 2.5418 2.7972 2.9307 2.9899 3.0280 3.2298 3.2437 3.6033 3.7102 4.2747 4.2848 7.6998 7.7027 8.3404 8.3509 11.0935 11.1019 11.5251 11.5668 12.8350 12.8837 k = 0.5000 0.1953 0.3362 ( 8462 PWs) bands (ev): -38.5909 -38.5909 -38.4203 -38.4203 -7.0905 -7.0903 -7.0847 -7.0830 -6.2563 -6.2558 -6.2335 -6.2314 -6.2201 -6.2198 1.3087 1.3349 2.5364 2.5383 2.8068 2.9302 2.9879 3.0209 3.2343 3.2467 3.5975 3.7008 4.2481 4.2547 7.8528 7.8559 8.4505 8.4618 11.0652 11.0736 11.4501 11.4915 12.6237 12.6684 k = 0.5000 0.2038 0.3242 ( 8462 PWs) bands (ev): -38.5910 -38.5910 -38.4203 -38.4203 -7.0906 -7.0904 -7.0847 -7.0832 -6.2564 -6.2560 -6.2335 -6.2317 -6.2200 -6.2198 1.2933 1.3170 2.5335 2.5351 2.8164 2.9297 2.9859 3.0141 3.2391 3.2499 3.5925 3.6914 4.2232 4.2268 8.0069 8.0108 8.5595 8.5714 11.0391 11.0476 11.3751 11.4159 12.4150 12.4559 k = 0.5000 0.2123 0.3122 ( 8470 PWs) bands (ev): -38.5910 -38.5910 -38.4203 -38.4203 -7.0906 -7.0905 -7.0847 -7.0834 -6.2565 -6.2562 -6.2335 -6.2320 -6.2200 -6.2198 1.2792 1.3004 2.5310 2.5321 2.8259 2.9291 2.9840 3.0077 3.2441 3.2530 3.5884 3.6821 4.1999 4.2017 8.1613 8.1662 8.6669 8.6792 11.0152 11.0238 11.3006 11.3404 12.2100 12.2474 k = 0.5000 0.2208 0.3002 ( 8462 PWs) bands (ev): -38.5910 -38.5910 -38.4203 -38.4203 -7.0907 -7.0906 -7.0847 -7.0835 -6.2566 -6.2563 -6.2336 -6.2322 -6.2199 -6.2198 1.2663 1.2851 2.5286 2.5294 2.8354 2.9283 2.9822 3.0016 3.2492 3.2562 3.5853 3.6727 4.1777 4.1800 8.3148 8.3205 8.7722 8.7845 10.9934 11.0023 11.2273 11.2658 12.0098 12.0438 k = 0.5000 0.2292 0.2882 ( 8464 PWs) bands (ev): -38.5910 -38.5910 -38.4203 -38.4202 -7.0907 -7.0906 -7.0847 -7.0837 -6.2566 -6.2565 -6.2336 -6.2324 -6.2199 -6.2198 1.2549 1.2712 2.5265 2.5271 2.8448 2.9271 2.9805 2.9960 3.2542 3.2594 3.5831 3.6631 4.1577 4.1611 8.4656 8.4719 8.8748 8.8868 10.9736 10.9829 11.1561 11.1929 11.8161 11.8468 k = 0.5000 0.2377 0.2762 ( 8462 PWs) bands (ev): -38.5910 -38.5910 -38.4202 -38.4202 -7.0907 -7.0907 -7.0847 -7.0838 -6.2567 -6.2566 -6.2336 -6.2326 -6.2198 -6.2198 1.2450 1.2589 2.5246 2.5250 2.8539 2.9256 2.9789 2.9910 3.2588 3.2624 3.5820 3.6535 4.1403 4.1445 8.6112 8.6176 8.9742 8.9852 10.9556 10.9654 11.0884 11.1229 11.6310 11.6584 k = 0.5000 0.2462 0.2642 ( 8464 PWs) bands (ev): -38.5910 -38.5910 -38.4202 -38.4202 -7.0908 -7.0907 -7.0846 -7.0840 -6.2568 -6.2567 -6.2336 -6.2328 -6.2198 -6.2198 1.2366 1.2482 2.5230 2.5232 2.8629 2.9235 2.9775 2.9866 3.2630 3.2653 3.5821 3.6439 4.1257 4.1302 8.7476 8.7537 9.0699 9.0792 10.9387 10.9495 11.0259 11.0576 11.4577 11.4815 k = 0.5000 0.2547 0.2522 ( 8464 PWs) bands (ev): -38.5910 -38.5910 -38.4202 -38.4202 -7.0908 -7.0908 -7.0846 -7.0841 -6.2568 -6.2568 -6.2336 -6.2330 -6.2198 -6.2197 1.2299 1.2391 2.5217 2.5218 2.8715 2.9207 2.9764 2.9829 3.2666 3.2678 3.5833 3.6344 4.1139 4.1182 8.8697 8.8749 9.1612 9.1680 10.9219 10.9337 10.9712 10.9992 11.3009 11.3210 k = 0.5000 0.2632 0.2401 ( 8460 PWs) bands (ev): -38.5910 -38.5910 -38.4202 -38.4202 -7.0908 -7.0908 -7.0846 -7.0842 -6.2569 -6.2569 -6.2336 -6.2331 -6.2197 -6.2197 1.2249 1.2318 2.5206 2.5207 2.8797 2.9171 2.9755 2.9799 3.2695 3.2700 3.5859 3.6252 4.1050 4.1087 8.9713 8.9751 9.2459 9.2498 10.9030 10.9124 10.9307 10.9505 11.1684 11.1841 k = 0.5000 0.2717 0.2281 ( 8464 PWs) bands (ev): -38.5910 -38.5910 -38.4202 -38.4202 -7.0908 -7.0908 -7.0845 -7.0843 -6.2569 -6.2569 -6.2336 -6.2333 -6.2197 -6.2197 1.2216 1.2262 2.5199 2.5199 2.8876 2.9127 2.9750 2.9776 3.2715 3.2717 3.5897 3.6164 4.0989 4.1016 9.0465 9.0491 9.3184 9.3198 10.8803 10.8831 10.9060 10.9128 11.0712 11.0820 k = 0.5000 0.2802 0.2161 ( 8448 PWs) bands (ev): -38.5910 -38.5910 -38.4202 -38.4202 -7.0908 -7.0908 -7.0845 -7.0843 -6.2569 -6.2569 -6.2335 -6.2334 -6.2197 -6.2197 1.2200 1.2223 2.5194 2.5194 2.8948 2.9075 2.9749 2.9761 3.2728 3.2728 3.5948 3.6083 4.0956 4.0970 9.0925 9.0938 9.3688 9.3690 10.8604 10.8611 10.8828 10.8847 11.0188 11.0242 k = 0.5000 0.2887 0.2041 ( 8424 PWs) bands (ev): -38.5910 -38.5910 -38.4202 -38.4202 -7.0908 -7.0908 -7.0844 -7.0844 -6.2569 -6.2569 -6.2335 -6.2335 -6.2197 -6.2197 1.2203 1.2203 2.5192 2.5192 2.9015 2.9015 2.9752 2.9752 3.2732 3.2732 3.6010 3.6010 4.0950 4.0950 9.1083 9.1083 9.3871 9.3871 10.8524 10.8524 10.8725 10.8725 11.0056 11.0056 k = 0.5000 0.2887 0.2041 ( 8424 PWs) bands (ev): -38.5910 -38.5910 -38.4202 -38.4202 -7.0908 -7.0908 -7.0844 -7.0844 -6.2569 -6.2569 -6.2335 -6.2335 -6.2197 -6.2197 1.2203 1.2203 2.5192 2.5192 2.9015 2.9015 2.9752 2.9752 3.2732 3.2732 3.6010 3.6010 4.0950 4.0950 9.1083 9.1083 9.3871 9.3871 10.8524 10.8524 10.8725 10.8725 11.0056 11.0056 k = 0.4958 0.2863 0.2177 ( 8449 PWs) bands (ev): -38.5910 -38.5910 -38.4202 -38.4202 -7.0908 -7.0908 -7.0845 -7.0844 -6.2569 -6.2569 -6.2335 -6.2334 -6.2197 -6.2197 1.2200 1.2223 2.5194 2.5194 2.8950 2.9074 2.9749 2.9761 3.2728 3.2728 3.5949 3.6082 4.0956 4.0969 9.0931 9.0944 9.3696 9.3696 10.8601 10.8604 10.8827 10.8844 11.0182 11.0235 k = 0.4917 0.2839 0.2313 ( 8461 PWs) bands (ev): -38.5910 -38.5910 -38.4202 -38.4202 -7.0908 -7.0908 -7.0845 -7.0843 -6.2569 -6.2569 -6.2336 -6.2333 -6.2197 -6.2197 1.2215 1.2260 2.5198 2.5199 2.8878 2.9125 2.9750 2.9776 3.2716 3.2718 3.5899 3.6161 4.0988 4.1014 9.0488 9.0512 9.3214 9.3215 10.8751 10.8753 10.9137 10.9161 11.0679 11.0776 k = 0.4875 0.2815 0.2449 ( 8457 PWs) bands (ev): -38.5910 -38.5910 -38.4202 -38.4202 -7.0908 -7.0908 -7.0846 -7.0842 -6.2569 -6.2569 -6.2336 -6.2331 -6.2197 -6.2197 1.2246 1.2314 2.5205 2.5207 2.8802 2.9169 2.9755 2.9797 3.2695 3.2702 3.5861 3.6247 4.1046 4.1082 8.9762 8.9792 9.2525 9.2530 10.8820 10.8825 10.9671 10.9680 11.1583 11.1708 k = 0.4833 0.2791 0.2586 ( 8469 PWs) bands (ev): -38.5910 -38.5910 -38.4202 -38.4202 -7.0908 -7.0908 -7.0846 -7.0841 -6.2568 -6.2568 -6.2336 -6.2330 -6.2198 -6.2197 1.2295 1.2385 2.5214 2.5219 2.8721 2.9204 2.9763 2.9826 3.2667 3.2681 3.5835 3.6337 4.1132 4.1174 8.8777 8.8807 9.1727 9.1738 10.8805 10.8810 11.0389 11.0395 11.2800 11.2942 k = 0.4792 0.2766 0.2722 ( 8462 PWs) bands (ev): -38.5910 -38.5910 -38.4202 -38.4202 -7.0908 -7.0907 -7.0846 -7.0840 -6.2568 -6.2567 -6.2336 -6.2328 -6.2198 -6.2197 1.2359 1.2473 2.5225 2.5235 2.8637 2.9233 2.9774 2.9862 3.2631 3.2658 3.5821 3.6430 4.1245 4.1290 8.7577 8.7605 9.0880 9.0899 10.8737 10.8739 11.1255 11.1273 11.4223 11.4382 k = 0.4750 0.2742 0.2858 ( 8464 PWs) bands (ev): -38.5910 -38.5910 -38.4202 -38.4202 -7.0907 -7.0907 -7.0847 -7.0838 -6.2567 -6.2566 -6.2336 -6.2327 -6.2198 -6.2197 1.2440 1.2576 2.5238 2.5254 2.8549 2.9254 2.9787 2.9905 3.2589 3.2632 3.5820 3.6524 4.1385 4.1428 8.6220 8.6244 9.0009 9.0036 10.8633 10.8634 11.2248 11.2274 11.5780 11.5956 k = 0.4708 0.2718 0.2994 ( 8463 PWs) bands (ev): -38.5910 -38.5910 -38.4202 -38.4202 -7.0907 -7.0906 -7.0847 -7.0837 -6.2566 -6.2565 -6.2336 -6.2325 -6.2199 -6.2197 1.2535 1.2695 2.5252 2.5278 2.8459 2.9270 2.9802 2.9954 3.2541 3.2605 3.5829 3.6619 4.1553 4.1588 8.4756 8.4776 8.9122 8.9157 10.8501 10.8506 11.3344 11.3377 11.7421 11.7616 k = 0.4667 0.2694 0.3130 ( 8455 PWs) bands (ev): -38.5910 -38.5910 -38.4203 -38.4203 -7.0907 -7.0906 -7.0847 -7.0836 -6.2566 -6.2564 -6.2336 -6.2322 -6.2200 -6.2197 1.2646 1.2829 2.5267 2.5306 2.8368 2.9281 2.9819 3.0008 3.2490 3.2578 3.5849 3.6712 4.1748 4.1769 8.3225 8.3243 8.8226 8.8266 10.8350 10.8357 11.4526 11.4564 11.9113 11.9328 k = 0.4625 0.2670 0.3266 ( 8455 PWs) bands (ev): -38.5910 -38.5910 -38.4203 -38.4203 -7.0906 -7.0905 -7.0847 -7.0834 -6.2565 -6.2563 -6.2336 -6.2320 -6.2200 -6.2197 1.2770 1.2977 2.5283 2.5339 2.8274 2.9290 2.9836 3.0067 3.2435 3.2552 3.5878 3.6804 4.1969 4.1971 8.1653 8.1670 8.7324 8.7369 10.8184 10.8193 11.5780 11.5822 12.0831 12.1067 k = 0.4583 0.2646 0.3402 ( 8451 PWs) bands (ev): -38.5910 -38.5910 -38.4203 -38.4203 -7.0906 -7.0904 -7.0847 -7.0833 -6.2564 -6.2561 -6.2335 -6.2317 -6.2201 -6.2197 1.2906 1.3138 2.5298 2.5377 2.8180 2.9297 2.9855 3.0131 3.2380 3.2527 3.5916 3.6895 4.2192 4.2215 8.0061 8.0079 8.6422 8.6471 10.8006 10.8017 11.7095 11.7140 12.2554 12.2812 k = 0.4542 0.2622 0.3538 ( 8453 PWs) bands (ev): -38.5909 -38.5909 -38.4203 -38.4203 -7.0905 -7.0903 -7.0847 -7.0831 -6.2563 -6.2559 -6.2335 -6.2315 -6.2202 -6.2196 1.3055 1.3311 2.5314 2.5419 2.8085 2.9303 2.9874 3.0198 3.2325 3.2505 3.5962 3.6986 4.2432 4.2485 7.8463 7.8483 8.5523 8.5575 10.7820 10.7831 11.8462 11.8510 12.4265 12.4543 k = 0.4500 0.2598 0.3674 ( 8459 PWs) bands (ev): -38.5909 -38.5909 -38.4203 -38.4203 -7.0905 -7.0902 -7.0847 -7.0829 -6.2562 -6.2558 -6.2334 -6.2311 -6.2203 -6.2196 1.3214 1.3494 2.5329 2.5466 2.7990 2.9309 2.9893 3.0268 3.2271 3.2486 3.6016 3.7077 4.2689 4.2776 7.6869 7.6893 8.4633 8.4687 10.7627 10.7638 11.9876 11.9927 12.5946 12.6243 k = 0.4458 0.2574 0.3810 ( 8445 PWs) bands (ev): -38.5909 -38.5909 -38.4203 -38.4203 -7.0904 -7.0901 -7.0848 -7.0827 -6.2561 -6.2556 -6.2334 -6.2308 -6.2205 -6.2195 1.3382 1.3687 2.5343 2.5519 2.7895 2.9316 2.9912 3.0341 3.2219 3.2471 3.6078 3.7169 4.2961 4.3087 7.5288 7.5317 8.3753 8.3810 10.7431 10.7442 12.1331 12.1384 12.7579 12.7892 k = 0.4417 0.2550 0.3946 ( 8442 PWs) bands (ev): -38.5909 -38.5909 -38.4203 -38.4203 -7.0904 -7.0900 -7.0848 -7.0826 -6.2560 -6.2554 -6.2333 -6.2305 -6.2206 -6.2194 1.3558 1.3888 2.5355 2.5577 2.7801 2.9325 2.9931 3.0417 3.2171 3.2460 3.6148 3.7263 4.3246 4.3416 7.3726 7.3763 8.2888 8.2947 10.7232 10.7242 12.2823 12.2878 12.9142 12.9465 k = 0.4375 0.2526 0.4082 ( 8442 PWs) bands (ev): -38.5909 -38.5909 -38.4203 -38.4203 -7.0903 -7.0898 -7.0848 -7.0824 -6.2559 -6.2552 -6.2333 -6.2301 -6.2208 -6.2193 1.3741 1.4095 2.5366 2.5640 2.7708 2.9336 2.9949 3.0494 3.2128 3.2453 3.6228 3.7361 4.3542 4.3759 7.2190 7.2238 8.2040 8.2100 10.7033 10.7042 12.4348 12.4406 13.0606 13.0929 k = 0.4333 0.2502 0.4219 ( 8436 PWs) bands (ev): -38.5909 -38.5909 -38.4203 -38.4203 -7.0902 -7.0897 -7.0848 -7.0822 -6.2558 -6.2551 -6.2332 -6.2297 -6.2209 -6.2192 1.3928 1.4307 2.5374 2.5708 2.7615 2.9350 2.9966 3.0572 3.2089 3.2450 3.6319 3.7465 4.3845 4.4114 7.0686 7.0748 8.1211 8.1272 10.6836 10.6844 12.5904 12.5965 13.1926 13.2236 k = 0.4292 0.2478 0.4355 ( 8444 PWs) bands (ev): -38.5909 -38.5909 -38.4203 -38.4203 -7.0902 -7.0896 -7.0848 -7.0821 -6.2558 -6.2549 -6.2332 -6.2293 -6.2211 -6.2191 1.4119 1.4521 2.5380 2.5781 2.7525 2.9366 2.9982 3.0649 3.2057 3.2453 3.6421 3.7576 4.4152 4.4477 6.9220 6.9299 8.0403 8.0465 10.6641 10.6648 12.7487 12.7552 13.3038 13.3317 k = 0.4250 0.2454 0.4491 ( 8442 PWs) bands (ev): -38.5909 -38.5908 -38.4204 -38.4203 -7.0901 -7.0894 -7.0849 -7.0819 -6.2557 -6.2547 -6.2332 -6.2289 -6.2213 -6.2189 1.4311 1.4736 2.5383 2.5859 2.7436 2.9386 2.9996 3.0724 3.2032 3.2460 3.6537 3.7695 4.4458 4.4844 6.7799 6.7899 7.9618 7.9680 10.6451 10.6455 12.9094 12.9164 13.3852 13.4080 k = 0.4208 0.2430 0.4627 ( 8452 PWs) bands (ev): -38.5908 -38.5908 -38.4204 -38.4204 -7.0900 -7.0893 -7.0849 -7.0817 -6.2556 -6.2546 -6.2331 -6.2285 -6.2215 -6.2188 1.4502 1.4949 2.5382 2.5942 2.7350 2.9409 3.0008 3.0796 3.2014 3.2472 3.6667 3.7825 4.4758 4.5209 6.6430 6.6556 7.8857 7.8920 10.6265 10.6268 13.0720 13.0799 13.4277 13.4439 k = 0.4167 0.2406 0.4763 ( 8458 PWs) bands (ev): -38.5908 -38.5908 -38.4204 -38.4204 -7.0899 -7.0891 -7.0849 -7.0816 -6.2556 -6.2544 -6.2331 -6.2280 -6.2217 -6.2186 1.4691 1.5160 2.5379 2.6028 2.7266 2.9436 3.0019 3.0864 3.2005 3.2488 3.6814 3.7967 4.5044 4.5566 6.5122 6.5279 7.8123 7.8186 10.6086 10.6086 13.2349 13.2451 13.4288 13.4378 k = 0.4125 0.2382 0.4899 ( 8454 PWs) bands (ev): -38.5908 -38.5908 -38.4204 -38.4204 -7.0899 -7.0890 -7.0850 -7.0815 -6.2555 -6.2542 -6.2331 -6.2276 -6.2219 -6.2184 1.4877 1.5364 2.5373 2.6116 2.7186 2.9464 3.0028 3.0925 3.2004 3.2508 3.6980 3.8121 4.5309 4.5908 6.3886 6.4080 7.7416 7.7479 10.5911 10.5914 13.3634 13.3863 13.4213 13.4286 k = 0.4083 0.2358 0.5035 ( 8452 PWs) bands (ev): -38.5908 -38.5908 -38.4204 -38.4204 -7.0898 -7.0888 -7.0850 -7.0813 -6.2555 -6.2541 -6.2331 -6.2271 -6.2222 -6.2182 1.5056 1.5561 2.5364 2.6204 2.7110 2.9495 3.0036 3.0979 3.2010 3.2530 3.7165 3.8290 4.5544 4.6224 6.2734 6.2970 7.6738 7.6801 10.5744 10.5749 13.3155 13.3249 13.5788 13.5832 k = 0.4042 0.2333 0.5171 ( 8450 PWs) bands (ev): -38.5908 -38.5908 -38.4204 -38.4204 -7.0897 -7.0887 -7.0851 -7.0812 -6.2554 -6.2540 -6.2330 -6.2267 -6.2224 -6.2181 1.5227 1.5747 2.5351 2.6290 2.7042 2.9528 3.0042 3.1025 3.2023 3.2556 3.7369 3.8472 4.5737 4.6504 6.1681 6.1965 7.6091 7.6153 10.5585 10.5592 13.2338 13.2406 13.7460 13.7523 k = 0.4000 0.2309 0.5307 ( 8448 PWs) bands (ev): -38.5908 -38.5908 -38.4204 -38.4204 -7.0896 -7.0885 -7.0851 -7.0811 -6.2554 -6.2539 -6.2330 -6.2262 -6.2226 -6.2179 1.5388 1.5922 2.5336 2.6367 2.6986 2.9561 3.0048 3.1064 3.2042 3.2583 3.7593 3.8668 4.5878 4.6733 6.0745 6.1080 7.5474 7.5535 10.5434 10.5444 13.1404 13.1460 13.9141 13.9217 k = 0.3958 0.2285 0.5443 ( 8460 PWs) bands (ev): -38.5908 -38.5908 -38.4204 -38.4204 -7.0895 -7.0884 -7.0852 -7.0811 -6.2554 -6.2538 -6.2330 -6.2258 -6.2228 -6.2177 1.5538 1.6082 2.5319 2.6427 2.6948 2.9593 3.0053 3.1096 3.2063 3.2610 3.7833 3.8875 4.5957 4.6900 5.9946 6.0332 7.4890 7.4950 10.5293 10.5306 13.0404 13.0453 14.0811 14.0899 k = 0.3917 0.2261 0.5579 ( 8460 PWs) bands (ev): -38.5908 -38.5908 -38.4204 -38.4204 -7.0894 -7.0882 -7.0852 -7.0810 -6.2554 -6.2537 -6.2330 -6.2254 -6.2230 -6.2175 1.5674 1.6227 2.5299 2.6459 2.6938 2.9624 3.0058 3.1122 3.2085 3.2638 3.8084 3.9089 4.5968 4.6993 5.9304 5.9736 7.4340 7.4399 10.5161 10.5177 12.9367 12.9413 14.2446 14.2548 k = 0.3875 0.2237 0.5715 ( 8470 PWs) bands (ev): -38.5908 -38.5908 -38.4204 -38.4204 -7.0893 -7.0881 -7.0853 -7.0810 -6.2554 -6.2537 -6.2330 -6.2251 -6.2231 -6.2174 1.5795 1.6354 2.5278 2.6457 2.6960 2.9653 3.0063 3.1144 3.2106 3.2665 3.8337 3.9302 4.5914 4.7007 5.8832 5.9301 7.3824 7.3881 10.5039 10.5058 12.8313 12.8356 14.4013 14.4131 k = 0.3833 0.2213 0.5852 ( 8472 PWs) bands (ev): -38.5908 -38.5908 -38.4205 -38.4204 -7.0893 -7.0880 -7.0853 -7.0809 -6.2554 -6.2536 -6.2330 -6.2249 -6.2231 -6.2173 1.5900 1.6462 2.5255 2.6426 2.7008 2.9679 3.0069 3.1160 3.2123 3.2690 3.8576 3.9501 4.5811 4.6951 5.8540 5.9031 7.3344 7.3399 10.4927 10.4950 12.7254 12.7295 14.5454 14.5591 k = 0.3792 0.2189 0.5988 ( 8468 PWs) bands (ev): -38.5908 -38.5908 -38.4205 -38.4205 -7.0892 -7.0879 -7.0853 -7.0809 -6.2554 -6.2536 -6.2330 -6.2249 -6.2229 -6.2171 1.5987 1.6548 2.5231 2.6378 2.7069 2.9700 3.0076 3.1173 3.2136 3.2713 3.8781 3.9671 4.5686 4.6848 5.8425 5.8921 7.2901 7.2954 10.4826 10.4852 12.6197 12.6238 14.6687 14.6842 k = 0.3750 0.2165 0.6124 ( 8488 PWs) bands (ev): -38.5908 -38.5908 -38.4205 -38.4205 -7.0891 -7.0879 -7.0854 -7.0809 -6.2554 -6.2536 -6.2329 -6.2250 -6.2227 -6.2170 1.6055 1.6613 2.5207 2.6320 2.7132 2.9717 3.0084 3.1181 3.2144 3.2734 3.8923 3.9788 4.5582 4.6737 5.8472 5.8958 7.2496 7.2546 10.4735 10.4765 12.5150 12.5190 14.7621 14.7785 k = 0.6250-0.0722 0.4082 ( 8488 PWs) bands (ev): -38.5908 -38.5908 -38.4205 -38.4205 -7.0891 -7.0879 -7.0854 -7.0809 -6.2554 -6.2536 -6.2329 -6.2250 -6.2227 -6.2170 1.6055 1.6613 2.5207 2.6320 2.7132 2.9717 3.0084 3.1181 3.2144 3.2734 3.8923 3.9788 4.5582 4.6737 5.8472 5.8958 7.2496 7.2546 10.4735 10.4765 12.5150 12.5190 14.7621 14.7785 k = 0.6176-0.0849 0.4082 ( 8476 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0889 -7.0878 -7.0854 -7.0810 -6.2554 -6.2536 -6.2329 -6.2253 -6.2221 -6.2169 1.6151 1.6700 2.5162 2.6207 2.7247 2.9740 3.0099 3.1187 3.2157 3.2766 3.9055 3.9892 4.5489 4.6595 5.8730 5.9185 7.1831 7.1877 10.4588 10.4624 12.3320 12.3359 14.8976 14.9145 k = 0.6103-0.0976 0.4082 ( 8456 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0888 -7.0877 -7.0854 -7.0811 -6.2555 -6.2537 -6.2328 -6.2256 -6.2216 -6.2167 1.6237 1.6773 2.5117 2.6086 2.7370 2.9760 3.0115 3.1183 3.2177 3.2799 3.9104 3.9922 4.5472 4.6510 5.9072 5.9492 7.1201 7.1241 10.4445 10.4488 12.1515 12.1554 15.0350 15.0523 k = 0.6029-0.1104 0.4082 ( 8452 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0887 -7.0876 -7.0855 -7.0812 -6.2555 -6.2538 -6.2328 -6.2259 -6.2211 -6.2165 1.6315 1.6835 2.5071 2.5960 2.7499 2.9778 3.0131 3.1167 3.2206 3.2831 3.9083 3.9886 4.5513 4.6472 5.9491 5.9874 7.0607 7.0641 10.4306 10.4356 11.9745 11.9786 15.1739 15.1918 k = 0.5956-0.1231 0.4082 ( 8448 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0885 -7.0875 -7.0855 -7.0813 -6.2556 -6.2539 -6.2327 -6.2262 -6.2206 -6.2164 1.6384 1.6885 2.5025 2.5833 2.7633 2.9793 3.0147 3.1139 3.2243 3.2863 3.9007 3.9797 4.5596 4.6467 5.9982 6.0325 7.0049 7.0077 10.4169 10.4226 11.8023 11.8066 15.3139 15.3325 k = 0.5882-0.1358 0.4082 ( 8452 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0884 -7.0874 -7.0855 -7.0815 -6.2556 -6.2539 -6.2326 -6.2266 -6.2201 -6.2162 1.6447 1.6924 2.4979 2.5707 2.7772 2.9806 3.0162 3.1100 3.2288 3.2894 3.8893 3.9667 4.5703 4.6484 6.0532 6.0838 6.9528 6.9550 10.4032 10.4097 11.6360 11.6407 15.4547 15.4740 k = 0.5809-0.1486 0.4082 ( 8454 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0883 -7.0873 -7.0855 -7.0816 -6.2557 -6.2541 -6.2325 -6.2269 -6.2196 -6.2161 1.6503 1.6954 2.4935 2.5583 2.7915 2.9817 3.0176 3.1051 3.2340 3.2923 3.8757 3.9508 4.5820 4.6513 6.1131 6.1400 6.9046 6.9061 10.3892 10.3966 11.4769 11.4821 15.5956 15.6159 k = 0.5735-0.1613 0.4082 ( 8460 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0882 -7.0872 -7.0855 -7.0818 -6.2557 -6.2542 -6.2324 -6.2272 -6.2192 -6.2160 1.6553 1.6976 2.4893 2.5465 2.8061 2.9826 3.0189 3.0992 3.2397 3.2950 3.8611 3.9332 4.5939 4.6547 6.1765 6.2001 6.8604 6.8610 10.3746 10.3830 11.3263 11.3322 15.7359 15.7572 k = 0.5662-0.1741 0.4082 ( 8442 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0881 -7.0872 -7.0855 -7.0820 -6.2557 -6.2543 -6.2323 -6.2276 -6.2187 -6.2159 1.6600 1.6989 2.4853 2.5352 2.8209 2.9832 3.0201 3.0925 3.2458 3.2974 3.8465 3.9146 4.6053 4.6581 6.2417 6.2623 6.8200 6.8202 10.3590 10.3684 11.1859 11.1925 15.8745 15.8971 k = 0.5588-0.1868 0.4082 ( 8442 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0880 -7.0871 -7.0854 -7.0822 -6.2557 -6.2544 -6.2321 -6.2279 -6.2183 -6.2158 1.6642 1.6996 2.4817 2.5247 2.8359 2.9835 3.0211 3.0851 3.2522 3.2995 3.8326 3.8959 4.6157 4.6611 6.3071 6.3253 6.7830 6.7842 10.3419 10.3522 11.0574 11.0649 16.0101 16.0342 k = 0.5515-0.1995 0.4082 ( 8454 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0879 -7.0871 -7.0853 -7.0824 -6.2557 -6.2545 -6.2320 -6.2282 -6.2179 -6.2157 1.6680 1.6997 2.4785 2.5151 2.8511 2.9833 3.0221 3.0772 3.2586 3.3011 3.8200 3.8776 4.6252 4.6636 6.3709 6.3871 6.7502 6.7525 10.3226 10.3336 10.9430 10.9512 16.1408 16.1665 k = 0.5441-0.2123 0.4082 ( 8452 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0878 -7.0871 -7.0852 -7.0826 -6.2557 -6.2547 -6.2318 -6.2286 -6.2176 -6.2157 1.6716 1.6992 2.4758 2.5063 2.8662 2.9826 3.0230 3.0689 3.2650 3.3023 3.8092 3.8602 4.6335 4.6655 6.4311 6.4459 6.7217 6.7253 10.3007 10.3121 10.8446 10.8533 16.2642 16.2913 k = 0.5368-0.2250 0.4082 ( 8460 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0877 -7.0871 -7.0850 -7.0828 -6.2557 -6.2548 -6.2316 -6.2289 -6.2172 -6.2157 1.6750 1.6983 2.4737 2.4985 2.8812 2.9809 3.0238 3.0606 3.2713 3.3029 3.8004 3.8441 4.6408 4.6668 6.4857 6.4996 6.6977 6.7030 10.2763 10.2876 10.7639 10.7726 16.3771 16.4051 k = 0.5294-0.2377 0.4082 ( 8440 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0876 -7.0871 -7.0848 -7.0831 -6.2556 -6.2549 -6.2314 -6.2292 -6.2169 -6.2157 1.6781 1.6970 2.4723 2.4917 2.8961 2.9781 3.0247 3.0526 3.2772 3.3028 3.7938 3.8296 4.6470 4.6674 6.5325 6.5462 6.6787 6.6858 10.2506 10.2608 10.7016 10.7096 16.4760 16.5034 k = 0.5221-0.2505 0.4082 ( 8436 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0875 -7.0872 -7.0847 -7.0833 -6.2556 -6.2550 -6.2311 -6.2295 -6.2167 -6.2157 1.6811 1.6954 2.4716 2.4859 2.9105 2.9737 3.0257 3.0454 3.2827 3.3021 3.7896 3.8170 4.6523 4.6673 6.5690 6.5827 6.6656 6.6746 10.2259 10.2342 10.6569 10.6635 16.5576 16.5818 k = 0.5147-0.2632 0.4082 ( 8448 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0875 -7.0872 -7.0845 -7.0835 -6.2555 -6.2552 -6.2309 -6.2298 -6.2164 -6.2158 1.6839 1.6935 2.4717 2.4811 2.9243 2.9674 3.0270 3.0394 3.2876 3.3007 3.7879 3.8064 4.6567 4.6666 6.5934 6.6055 6.6606 6.6697 10.2054 10.2112 10.6278 10.6324 16.6190 16.6372 k = 0.5074-0.2759 0.4082 ( 8462 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0874 -7.0873 -7.0842 -7.0838 -6.2555 -6.2553 -6.2307 -6.2301 -6.2162 -6.2159 1.6865 1.6914 2.4727 2.4773 2.9372 2.9591 3.0287 3.0346 3.2919 3.2985 3.7888 3.7981 4.6603 4.6652 6.6063 6.6131 6.6640 6.6693 10.1922 10.1952 10.6119 10.6143 16.6586 16.6683 k = 0.5000-0.2887 0.4082 ( 8480 PWs) bands (ev): -38.5907 -38.5907 -38.4205 -38.4205 -7.0873 -7.0873 -7.0840 -7.0840 -6.2554 -6.2554 -6.2304 -6.2304 -6.2161 -6.2161 1.6890 1.6890 2.4745 2.4745 2.9489 2.9489 3.0312 3.0312 3.2956 3.2956 3.7922 3.7922 4.6631 4.6631 6.6120 6.6120 6.6683 6.6683 10.1885 10.1885 10.6076 10.6076 16.6753 16.6753 Writing output data file Li2InAg.save init_run : 0.97s CPU 0.57s WALL ( 1 calls) electrons : 290.25s CPU 184.69s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.09s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 290.24s CPU 184.68s WALL ( 1 calls) v_of_rho : 0.02s 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 : 0.20s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.45s CPU 0.57s WALL ( 320 calls) cegterg : 244.03s CPU 157.90s WALL ( 402 calls) Called by sum_band: Called by *egterg: h_psi : 204.70s CPU 119.42s WALL ( 6683 calls) s_psi : 6.80s CPU 4.42s WALL ( 6683 calls) g_psi : 0.53s CPU 0.31s WALL ( 5961 calls) cdiaghg : 44.07s CPU 35.32s WALL ( 6281 calls) cegterg:over : 9.44s CPU 6.77s WALL ( 5961 calls) cegterg:upda : 9.19s CPU 6.75s WALL ( 5961 calls) cegterg:last : 3.73s CPU 2.86s WALL ( 1051 calls) cdiaghg:chol : 2.52s CPU 2.10s WALL ( 6281 calls) cdiaghg:inve : 1.18s CPU 0.98s WALL ( 6281 calls) cdiaghg:para : 2.36s CPU 1.99s WALL ( 12562 calls) Called by h_psi: h_psi:vloc : 189.39s CPU 109.55s WALL ( 6683 calls) h_psi:vnl : 14.88s CPU 9.56s WALL ( 6683 calls) add_vuspsi : 8.04s CPU 4.96s WALL ( 6683 calls) General routines calbec : 6.82s CPU 4.58s WALL ( 6683 calls) fft : 0.11s CPU 0.06s WALL ( 15 calls) fftw : 179.77s CPU 103.35s WALL ( 533128 calls) davcio : 0.44s CPU 1.23s WALL ( 640 calls) Parallel routines fft_scatter : 65.78s CPU 41.72s WALL ( 533143 calls) PWSCF : 5m10.58s CPU 3m46.67s WALL This run was terminated on: 20:53: 0 10Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=