Program PWSCF v.5.4.0 starts on 11Feb2017 at 6:12:36 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: ./Li2BiAu.save/ file Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 5D renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 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 69 62 17 2274 1936 281 Max 70 63 18 2277 1956 284 Sum 2491 2233 625 81931 70049 10177 bravais-lattice index = 14 lattice parameter (alat) = 8.8860 a.u. unit-cell volume = 496.1368 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 457.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.885983 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Bi read from file: /users/gautes/Pseudo/Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 2a6cbf750f457e6adc9554330ec86bb0 Pseudo is Ultrasoft + core correction, Zval = 15.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1283 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd 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 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Li 3.00 6.94100 Li( 1.00) Bi 15.00 208.98040 Bi( 1.00) Au 11.00 196.96660 Au( 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= 317 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031546 k( 2) = ( 0.0104167 -0.0060141 0.0085052), wk = 0.0031546 k( 3) = ( 0.0208333 -0.0120281 0.0170103), wk = 0.0031546 k( 4) = ( 0.0312500 -0.0180422 0.0255155), wk = 0.0031546 k( 5) = ( 0.0416667 -0.0240563 0.0340207), wk = 0.0031546 k( 6) = ( 0.0520833 -0.0300703 0.0425259), wk = 0.0031546 k( 7) = ( 0.0625000 -0.0360844 0.0510310), wk = 0.0031546 k( 8) = ( 0.0729167 -0.0420985 0.0595362), wk = 0.0031546 k( 9) = ( 0.0833333 -0.0481125 0.0680414), wk = 0.0031546 k( 10) = ( 0.0937500 -0.0541266 0.0765466), wk = 0.0031546 k( 11) = ( 0.1041667 -0.0601407 0.0850517), wk = 0.0031546 k( 12) = ( 0.1145833 -0.0661547 0.0935569), wk = 0.0031546 k( 13) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0031546 k( 14) = ( 0.1354167 -0.0781829 0.1105672), wk = 0.0031546 k( 15) = ( 0.1458333 -0.0841969 0.1190724), wk = 0.0031546 k( 16) = ( 0.1562500 -0.0902110 0.1275776), wk = 0.0031546 k( 17) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0031546 k( 18) = ( 0.1770833 -0.1022391 0.1445879), wk = 0.0031546 k( 19) = ( 0.1875000 -0.1082532 0.1530931), wk = 0.0031546 k( 20) = ( 0.1979167 -0.1142672 0.1615983), wk = 0.0031546 k( 21) = ( 0.2083333 -0.1202813 0.1701035), wk = 0.0031546 k( 22) = ( 0.2187500 -0.1262954 0.1786086), wk = 0.0031546 k( 23) = ( 0.2291667 -0.1323094 0.1871138), wk = 0.0031546 k( 24) = ( 0.2395833 -0.1383235 0.1956190), wk = 0.0031546 k( 25) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0031546 k( 26) = ( 0.2604167 -0.1503516 0.2126293), wk = 0.0031546 k( 27) = ( 0.2708333 -0.1563657 0.2211345), wk = 0.0031546 k( 28) = ( 0.2812500 -0.1623798 0.2296397), wk = 0.0031546 k( 29) = ( 0.2916667 -0.1683938 0.2381448), wk = 0.0031546 k( 30) = ( 0.3020833 -0.1744079 0.2466500), wk = 0.0031546 k( 31) = ( 0.3125000 -0.1804220 0.2551552), wk = 0.0031546 k( 32) = ( 0.3229167 -0.1864360 0.2636604), wk = 0.0031546 k( 33) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0031546 k( 34) = ( 0.3437500 -0.1984642 0.2806707), wk = 0.0031546 k( 35) = ( 0.3541667 -0.2044782 0.2891759), wk = 0.0031546 k( 36) = ( 0.3645833 -0.2104923 0.2976810), wk = 0.0031546 k( 37) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0031546 k( 38) = ( 0.3854167 -0.2225204 0.3146914), wk = 0.0031546 k( 39) = ( 0.3958333 -0.2285345 0.3231966), wk = 0.0031546 k( 40) = ( 0.4062500 -0.2345485 0.3317017), wk = 0.0031546 k( 41) = ( 0.4166667 -0.2405626 0.3402069), wk = 0.0031546 k( 42) = ( 0.4270833 -0.2465767 0.3487121), wk = 0.0031546 k( 43) = ( 0.4375000 -0.2525907 0.3572173), wk = 0.0031546 k( 44) = ( 0.4479167 -0.2586048 0.3657224), wk = 0.0031546 k( 45) = ( 0.4583333 -0.2646189 0.3742276), wk = 0.0031546 k( 46) = ( 0.4687500 -0.2706329 0.3827328), wk = 0.0031546 k( 47) = ( 0.4791667 -0.2766470 0.3912379), wk = 0.0031546 k( 48) = ( 0.4895833 -0.2826611 0.3997431), wk = 0.0031546 k( 49) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031546 k( 50) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031546 k( 51) = ( 0.5000000 -0.2766470 0.4167535), wk = 0.0031546 k( 52) = ( 0.5000000 -0.2646189 0.4252586), wk = 0.0031546 k( 53) = ( 0.5000000 -0.2525907 0.4337638), wk = 0.0031546 k( 54) = ( 0.5000000 -0.2405626 0.4422690), wk = 0.0031546 k( 55) = ( 0.5000000 -0.2285345 0.4507742), wk = 0.0031546 k( 56) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0031546 k( 57) = ( 0.5000000 -0.2044782 0.4677845), wk = 0.0031546 k( 58) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0031546 k( 59) = ( 0.5000000 -0.1804220 0.4847948), wk = 0.0031546 k( 60) = ( 0.5000000 -0.1683938 0.4933000), wk = 0.0031546 k( 61) = ( 0.5000000 -0.1563657 0.5018052), wk = 0.0031546 k( 62) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0031546 k( 63) = ( 0.5000000 -0.1323094 0.5188155), wk = 0.0031546 k( 64) = ( 0.5000000 -0.1202813 0.5273207), wk = 0.0031546 k( 65) = ( 0.5000000 -0.1082532 0.5358259), wk = 0.0031546 k( 66) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0031546 k( 67) = ( 0.5000000 -0.0841969 0.5528362), wk = 0.0031546 k( 68) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0031546 k( 69) = ( 0.5000000 -0.0601406 0.5698466), wk = 0.0031546 k( 70) = ( 0.5000000 -0.0481125 0.5783517), wk = 0.0031546 k( 71) = ( 0.5000000 -0.0360844 0.5868569), wk = 0.0031546 k( 72) = ( 0.5000000 -0.0240563 0.5953621), wk = 0.0031546 k( 73) = ( 0.5000000 -0.0120281 0.6038673), wk = 0.0031546 k( 74) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0031546 k( 75) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0031546 k( 76) = ( 0.4926471 0.0127357 0.6123724), wk = 0.0031546 k( 77) = ( 0.4852941 0.0254713 0.6123724), wk = 0.0031546 k( 78) = ( 0.4779412 0.0382070 0.6123724), wk = 0.0031546 k( 79) = ( 0.4705882 0.0509427 0.6123724), wk = 0.0031546 k( 80) = ( 0.4632353 0.0636783 0.6123724), wk = 0.0031546 k( 81) = ( 0.4558823 0.0764140 0.6123724), wk = 0.0031546 k( 82) = ( 0.4485294 0.0891497 0.6123724), wk = 0.0031546 k( 83) = ( 0.4411765 0.1018853 0.6123724), wk = 0.0031546 k( 84) = ( 0.4338235 0.1146210 0.6123724), wk = 0.0031546 k( 85) = ( 0.4264706 0.1273567 0.6123724), wk = 0.0031546 k( 86) = ( 0.4191177 0.1400923 0.6123724), wk = 0.0031546 k( 87) = ( 0.4117647 0.1528280 0.6123724), wk = 0.0031546 k( 88) = ( 0.4044118 0.1655637 0.6123724), wk = 0.0031546 k( 89) = ( 0.3970588 0.1782994 0.6123724), wk = 0.0031546 k( 90) = ( 0.3897059 0.1910350 0.6123724), wk = 0.0031546 k( 91) = ( 0.3823529 0.2037707 0.6123724), wk = 0.0031546 k( 92) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031546 k( 93) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031546 k( 94) = ( 0.3676471 0.2122611 0.6003651), wk = 0.0031546 k( 95) = ( 0.3602941 0.2080159 0.5883578), wk = 0.0031546 k( 96) = ( 0.3529412 0.2037707 0.5763505), wk = 0.0031546 k( 97) = ( 0.3455882 0.1995255 0.5643432), wk = 0.0031546 k( 98) = ( 0.3382353 0.1952802 0.5523359), wk = 0.0031546 k( 99) = ( 0.3308823 0.1910350 0.5403286), wk = 0.0031546 k( 100) = ( 0.3235294 0.1867898 0.5283213), wk = 0.0031546 k( 101) = ( 0.3161765 0.1825446 0.5163140), wk = 0.0031546 k( 102) = ( 0.3088235 0.1782993 0.5043067), wk = 0.0031546 k( 103) = ( 0.3014706 0.1740541 0.4922994), wk = 0.0031546 k( 104) = ( 0.2941177 0.1698089 0.4802921), wk = 0.0031546 k( 105) = ( 0.2867647 0.1655637 0.4682848), wk = 0.0031546 k( 106) = ( 0.2794118 0.1613185 0.4562775), wk = 0.0031546 k( 107) = ( 0.2720588 0.1570732 0.4442702), wk = 0.0031546 k( 108) = ( 0.2647059 0.1528280 0.4322629), wk = 0.0031546 k( 109) = ( 0.2573529 0.1485828 0.4202556), wk = 0.0031546 k( 110) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0031546 k( 111) = ( 0.2426471 0.1400923 0.3962410), wk = 0.0031546 k( 112) = ( 0.2352941 0.1358471 0.3842337), wk = 0.0031546 k( 113) = ( 0.2279412 0.1316019 0.3722264), wk = 0.0031546 k( 114) = ( 0.2205882 0.1273567 0.3602191), wk = 0.0031546 k( 115) = ( 0.2132353 0.1231115 0.3482118), wk = 0.0031546 k( 116) = ( 0.2058823 0.1188662 0.3362045), wk = 0.0031546 k( 117) = ( 0.1985294 0.1146210 0.3241972), wk = 0.0031546 k( 118) = ( 0.1911765 0.1103758 0.3121899), wk = 0.0031546 k( 119) = ( 0.1838235 0.1061306 0.3001826), wk = 0.0031546 k( 120) = ( 0.1764706 0.1018853 0.2881753), wk = 0.0031546 k( 121) = ( 0.1691177 0.0976401 0.2761680), wk = 0.0031546 k( 122) = ( 0.1617647 0.0933949 0.2641607), wk = 0.0031546 k( 123) = ( 0.1544118 0.0891497 0.2521534), wk = 0.0031546 k( 124) = ( 0.1470588 0.0849044 0.2401461), wk = 0.0031546 k( 125) = ( 0.1397059 0.0806592 0.2281387), wk = 0.0031546 k( 126) = ( 0.1323529 0.0764140 0.2161314), wk = 0.0031546 k( 127) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0031546 k( 128) = ( 0.1176471 0.0679236 0.1921168), wk = 0.0031546 k( 129) = ( 0.1102941 0.0636783 0.1801095), wk = 0.0031546 k( 130) = ( 0.1029412 0.0594331 0.1681022), wk = 0.0031546 k( 131) = ( 0.0955882 0.0551879 0.1560949), wk = 0.0031546 k( 132) = ( 0.0882353 0.0509427 0.1440876), wk = 0.0031546 k( 133) = ( 0.0808824 0.0466974 0.1320803), wk = 0.0031546 k( 134) = ( 0.0735294 0.0424522 0.1200730), wk = 0.0031546 k( 135) = ( 0.0661765 0.0382070 0.1080657), wk = 0.0031546 k( 136) = ( 0.0588235 0.0339618 0.0960584), wk = 0.0031546 k( 137) = ( 0.0514706 0.0297166 0.0840511), wk = 0.0031546 k( 138) = ( 0.0441177 0.0254713 0.0720438), wk = 0.0031546 k( 139) = ( 0.0367647 0.0212261 0.0600365), wk = 0.0031546 k( 140) = ( 0.0294118 0.0169809 0.0480292), wk = 0.0031546 k( 141) = ( 0.0220588 0.0127357 0.0360219), wk = 0.0031546 k( 142) = ( 0.0147059 0.0084904 0.0240146), wk = 0.0031546 k( 143) = ( 0.0073529 0.0042452 0.0120073), wk = 0.0031546 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031546 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031546 k( 146) = ( 0.0121951 0.0070409 0.0049786), wk = 0.0031546 k( 147) = ( 0.0243902 0.0140817 0.0099573), wk = 0.0031546 k( 148) = ( 0.0365854 0.0211226 0.0149359), wk = 0.0031546 k( 149) = ( 0.0487805 0.0281634 0.0199146), wk = 0.0031546 k( 150) = ( 0.0609756 0.0352043 0.0248932), wk = 0.0031546 k( 151) = ( 0.0731707 0.0422451 0.0298718), wk = 0.0031546 k( 152) = ( 0.0853658 0.0492860 0.0348505), wk = 0.0031546 k( 153) = ( 0.0975610 0.0563269 0.0398291), wk = 0.0031546 k( 154) = ( 0.1097561 0.0633677 0.0448077), wk = 0.0031546 k( 155) = ( 0.1219512 0.0704086 0.0497864), wk = 0.0031546 k( 156) = ( 0.1341463 0.0774494 0.0547650), wk = 0.0031546 k( 157) = ( 0.1463415 0.0844903 0.0597437), wk = 0.0031546 k( 158) = ( 0.1585366 0.0915311 0.0647223), wk = 0.0031546 k( 159) = ( 0.1707317 0.0985720 0.0697009), wk = 0.0031546 k( 160) = ( 0.1829268 0.1056129 0.0746796), wk = 0.0031546 k( 161) = ( 0.1951219 0.1126537 0.0796582), wk = 0.0031546 k( 162) = ( 0.2073171 0.1196946 0.0846368), wk = 0.0031546 k( 163) = ( 0.2195122 0.1267354 0.0896155), wk = 0.0031546 k( 164) = ( 0.2317073 0.1337763 0.0945941), wk = 0.0031546 k( 165) = ( 0.2439024 0.1408171 0.0995728), wk = 0.0031546 k( 166) = ( 0.2560976 0.1478580 0.1045514), wk = 0.0031546 k( 167) = ( 0.2682927 0.1548989 0.1095300), wk = 0.0031546 k( 168) = ( 0.2804878 0.1619397 0.1145087), wk = 0.0031546 k( 169) = ( 0.2926829 0.1689806 0.1194873), wk = 0.0031546 k( 170) = ( 0.3048781 0.1760214 0.1244659), wk = 0.0031546 k( 171) = ( 0.3170732 0.1830623 0.1294446), wk = 0.0031546 k( 172) = ( 0.3292683 0.1901031 0.1344232), wk = 0.0031546 k( 173) = ( 0.3414634 0.1971440 0.1394019), wk = 0.0031546 k( 174) = ( 0.3536585 0.2041849 0.1443805), wk = 0.0031546 k( 175) = ( 0.3658537 0.2112257 0.1493591), wk = 0.0031546 k( 176) = ( 0.3780488 0.2182666 0.1543378), wk = 0.0031546 k( 177) = ( 0.3902439 0.2253074 0.1593164), wk = 0.0031546 k( 178) = ( 0.4024390 0.2323483 0.1642950), wk = 0.0031546 k( 179) = ( 0.4146341 0.2393891 0.1692737), wk = 0.0031546 k( 180) = ( 0.4268293 0.2464300 0.1742523), wk = 0.0031546 k( 181) = ( 0.4390244 0.2534708 0.1792310), wk = 0.0031546 k( 182) = ( 0.4512195 0.2605117 0.1842096), wk = 0.0031546 k( 183) = ( 0.4634146 0.2675526 0.1891882), wk = 0.0031546 k( 184) = ( 0.4756098 0.2745934 0.1941669), wk = 0.0031546 k( 185) = ( 0.4878049 0.2816343 0.1991455), wk = 0.0031546 k( 186) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031546 k( 187) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031546 k( 188) = ( 0.5043103 0.2762322 0.2111629), wk = 0.0031546 k( 189) = ( 0.5086207 0.2637893 0.2182017), wk = 0.0031546 k( 190) = ( 0.5129310 0.2513465 0.2252404), wk = 0.0031546 k( 191) = ( 0.5172414 0.2389036 0.2322792), wk = 0.0031546 k( 192) = ( 0.5215517 0.2264607 0.2393180), wk = 0.0031546 k( 193) = ( 0.5258621 0.2140178 0.2463567), wk = 0.0031546 k( 194) = ( 0.5301724 0.2015749 0.2533955), wk = 0.0031546 k( 195) = ( 0.5344828 0.1891320 0.2604343), wk = 0.0031546 k( 196) = ( 0.5387931 0.1766891 0.2674730), wk = 0.0031546 k( 197) = ( 0.5431035 0.1642462 0.2745118), wk = 0.0031546 k( 198) = ( 0.5474138 0.1518033 0.2815505), wk = 0.0031546 k( 199) = ( 0.5517241 0.1393604 0.2885893), wk = 0.0031546 k( 200) = ( 0.5560345 0.1269175 0.2956281), wk = 0.0031546 k( 201) = ( 0.5603448 0.1144746 0.3026668), wk = 0.0031546 k( 202) = ( 0.5646552 0.1020317 0.3097056), wk = 0.0031546 k( 203) = ( 0.5689655 0.0895888 0.3167444), wk = 0.0031546 k( 204) = ( 0.5732759 0.0771459 0.3237831), wk = 0.0031546 k( 205) = ( 0.5775862 0.0647030 0.3308219), wk = 0.0031546 k( 206) = ( 0.5818965 0.0522602 0.3378607), wk = 0.0031546 k( 207) = ( 0.5862069 0.0398173 0.3448994), wk = 0.0031546 k( 208) = ( 0.5905172 0.0273744 0.3519382), wk = 0.0031546 k( 209) = ( 0.5948276 0.0149315 0.3589769), wk = 0.0031546 k( 210) = ( 0.5991379 0.0024886 0.3660157), wk = 0.0031546 k( 211) = ( 0.6034483 -0.0099543 0.3730545), wk = 0.0031546 k( 212) = ( 0.6077586 -0.0223972 0.3800932), wk = 0.0031546 k( 213) = ( 0.6120690 -0.0348401 0.3871320), wk = 0.0031546 k( 214) = ( 0.6163793 -0.0472830 0.3941708), wk = 0.0031546 k( 215) = ( 0.6206897 -0.0597259 0.4012095), wk = 0.0031546 k( 216) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031546 k( 217) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031546 k( 218) = ( 0.6176471 -0.0679236 0.4202556), wk = 0.0031546 k( 219) = ( 0.6102941 -0.0636783 0.4322629), wk = 0.0031546 k( 220) = ( 0.6029412 -0.0594331 0.4442702), wk = 0.0031546 k( 221) = ( 0.5955882 -0.0551879 0.4562775), wk = 0.0031546 k( 222) = ( 0.5882353 -0.0509427 0.4682848), wk = 0.0031546 k( 223) = ( 0.5808823 -0.0466974 0.4802921), wk = 0.0031546 k( 224) = ( 0.5735294 -0.0424522 0.4922994), wk = 0.0031546 k( 225) = ( 0.5661765 -0.0382070 0.5043067), wk = 0.0031546 k( 226) = ( 0.5588235 -0.0339618 0.5163140), wk = 0.0031546 k( 227) = ( 0.5514706 -0.0297166 0.5283213), wk = 0.0031546 k( 228) = ( 0.5441177 -0.0254713 0.5403286), wk = 0.0031546 k( 229) = ( 0.5367647 -0.0212261 0.5523359), wk = 0.0031546 k( 230) = ( 0.5294118 -0.0169809 0.5643432), wk = 0.0031546 k( 231) = ( 0.5220588 -0.0127357 0.5763505), wk = 0.0031546 k( 232) = ( 0.5147059 -0.0084904 0.5883578), wk = 0.0031546 k( 233) = ( 0.5073529 -0.0042452 0.6003651), wk = 0.0031546 k( 234) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0031546 k( 235) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0031546 k( 236) = ( 0.5000000 0.0084904 0.6003651), wk = 0.0031546 k( 237) = ( 0.5000000 0.0169809 0.5883578), wk = 0.0031546 k( 238) = ( 0.5000000 0.0254713 0.5763505), wk = 0.0031546 k( 239) = ( 0.5000000 0.0339618 0.5643432), wk = 0.0031546 k( 240) = ( 0.5000000 0.0424522 0.5523359), wk = 0.0031546 k( 241) = ( 0.5000000 0.0509427 0.5403286), wk = 0.0031546 k( 242) = ( 0.5000000 0.0594331 0.5283213), wk = 0.0031546 k( 243) = ( 0.5000000 0.0679236 0.5163140), wk = 0.0031546 k( 244) = ( 0.5000000 0.0764140 0.5043067), wk = 0.0031546 k( 245) = ( 0.5000000 0.0849044 0.4922994), wk = 0.0031546 k( 246) = ( 0.5000000 0.0933949 0.4802921), wk = 0.0031546 k( 247) = ( 0.5000000 0.1018853 0.4682848), wk = 0.0031546 k( 248) = ( 0.5000000 0.1103758 0.4562775), wk = 0.0031546 k( 249) = ( 0.5000000 0.1188662 0.4442702), wk = 0.0031546 k( 250) = ( 0.5000000 0.1273567 0.4322629), wk = 0.0031546 k( 251) = ( 0.5000000 0.1358471 0.4202556), wk = 0.0031546 k( 252) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0031546 k( 253) = ( 0.5000000 0.1528280 0.3962410), wk = 0.0031546 k( 254) = ( 0.5000000 0.1613185 0.3842337), wk = 0.0031546 k( 255) = ( 0.5000000 0.1698089 0.3722264), wk = 0.0031546 k( 256) = ( 0.5000000 0.1782993 0.3602191), wk = 0.0031546 k( 257) = ( 0.5000000 0.1867898 0.3482118), wk = 0.0031546 k( 258) = ( 0.5000000 0.1952802 0.3362045), wk = 0.0031546 k( 259) = ( 0.5000000 0.2037707 0.3241972), wk = 0.0031546 k( 260) = ( 0.5000000 0.2122611 0.3121899), wk = 0.0031546 k( 261) = ( 0.5000000 0.2207516 0.3001826), wk = 0.0031546 k( 262) = ( 0.5000000 0.2292420 0.2881753), wk = 0.0031546 k( 263) = ( 0.5000000 0.2377325 0.2761680), wk = 0.0031546 k( 264) = ( 0.5000000 0.2462229 0.2641607), wk = 0.0031546 k( 265) = ( 0.5000000 0.2547134 0.2521533), wk = 0.0031546 k( 266) = ( 0.5000000 0.2632038 0.2401460), wk = 0.0031546 k( 267) = ( 0.5000000 0.2716942 0.2281387), wk = 0.0031546 k( 268) = ( 0.5000000 0.2801847 0.2161314), wk = 0.0031546 k( 269) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031546 k( 270) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031546 k( 271) = ( 0.4956897 0.2861866 0.2182017), wk = 0.0031546 k( 272) = ( 0.4913793 0.2836980 0.2322792), wk = 0.0031546 k( 273) = ( 0.4870690 0.2812094 0.2463567), wk = 0.0031546 k( 274) = ( 0.4827586 0.2787208 0.2604343), wk = 0.0031546 k( 275) = ( 0.4784483 0.2762322 0.2745118), wk = 0.0031546 k( 276) = ( 0.4741379 0.2737437 0.2885893), wk = 0.0031546 k( 277) = ( 0.4698276 0.2712551 0.3026668), wk = 0.0031546 k( 278) = ( 0.4655172 0.2687665 0.3167444), wk = 0.0031546 k( 279) = ( 0.4612069 0.2662779 0.3308219), wk = 0.0031546 k( 280) = ( 0.4568966 0.2637893 0.3448994), wk = 0.0031546 k( 281) = ( 0.4525862 0.2613008 0.3589769), wk = 0.0031546 k( 282) = ( 0.4482759 0.2588122 0.3730545), wk = 0.0031546 k( 283) = ( 0.4439655 0.2563236 0.3871320), wk = 0.0031546 k( 284) = ( 0.4396552 0.2538350 0.4012095), wk = 0.0031546 k( 285) = ( 0.4353448 0.2513465 0.4152870), wk = 0.0031546 k( 286) = ( 0.4310345 0.2488579 0.4293646), wk = 0.0031546 k( 287) = ( 0.4267241 0.2463693 0.4434421), wk = 0.0031546 k( 288) = ( 0.4224138 0.2438807 0.4575196), wk = 0.0031546 k( 289) = ( 0.4181034 0.2413921 0.4715972), wk = 0.0031546 k( 290) = ( 0.4137931 0.2389036 0.4856747), wk = 0.0031546 k( 291) = ( 0.4094828 0.2364150 0.4997522), wk = 0.0031546 k( 292) = ( 0.4051724 0.2339264 0.5138297), wk = 0.0031546 k( 293) = ( 0.4008621 0.2314378 0.5279073), wk = 0.0031546 k( 294) = ( 0.3965517 0.2289492 0.5419848), wk = 0.0031546 k( 295) = ( 0.3922414 0.2264607 0.5560623), wk = 0.0031546 k( 296) = ( 0.3879310 0.2239721 0.5701399), wk = 0.0031546 k( 297) = ( 0.3836207 0.2214835 0.5842174), wk = 0.0031546 k( 298) = ( 0.3793103 0.2189949 0.5982949), wk = 0.0031546 k( 299) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031546 k( 300) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031546 k( 301) = ( 0.6176471 -0.0849044 0.4082483), wk = 0.0031546 k( 302) = ( 0.6102941 -0.0976401 0.4082483), wk = 0.0031546 k( 303) = ( 0.6029412 -0.1103758 0.4082483), wk = 0.0031546 k( 304) = ( 0.5955882 -0.1231115 0.4082483), wk = 0.0031546 k( 305) = ( 0.5882353 -0.1358471 0.4082483), wk = 0.0031546 k( 306) = ( 0.5808823 -0.1485828 0.4082483), wk = 0.0031546 k( 307) = ( 0.5735294 -0.1613185 0.4082483), wk = 0.0031546 k( 308) = ( 0.5661765 -0.1740541 0.4082483), wk = 0.0031546 k( 309) = ( 0.5588235 -0.1867898 0.4082483), wk = 0.0031546 k( 310) = ( 0.5514706 -0.1995255 0.4082483), wk = 0.0031546 k( 311) = ( 0.5441177 -0.2122611 0.4082483), wk = 0.0031546 k( 312) = ( 0.5367647 -0.2249968 0.4082483), wk = 0.0031546 k( 313) = ( 0.5294118 -0.2377325 0.4082483), wk = 0.0031546 k( 314) = ( 0.5220588 -0.2504681 0.4082483), wk = 0.0031546 k( 315) = ( 0.5147059 -0.2632038 0.4082483), wk = 0.0031546 k( 316) = ( 0.5073529 -0.2759395 0.4082483), wk = 0.0031546 k( 317) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031546 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031546 k( 2) = ( 0.0104167 -0.0000000 0.0104167), wk = 0.0031546 k( 3) = ( 0.0208333 -0.0000000 0.0208333), wk = 0.0031546 k( 4) = ( 0.0312500 0.0000000 0.0312500), wk = 0.0031546 k( 5) = ( 0.0416667 -0.0000000 0.0416667), wk = 0.0031546 k( 6) = ( 0.0520833 -0.0000000 0.0520833), wk = 0.0031546 k( 7) = ( 0.0625000 0.0000000 0.0625000), wk = 0.0031546 k( 8) = ( 0.0729167 -0.0000000 0.0729167), wk = 0.0031546 k( 9) = ( 0.0833333 -0.0000000 0.0833333), wk = 0.0031546 k( 10) = ( 0.0937500 0.0000000 0.0937500), wk = 0.0031546 k( 11) = ( 0.1041667 -0.0000000 0.1041667), wk = 0.0031546 k( 12) = ( 0.1145833 0.0000000 0.1145833), wk = 0.0031546 k( 13) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0031546 k( 14) = ( 0.1354167 -0.0000000 0.1354167), wk = 0.0031546 k( 15) = ( 0.1458333 -0.0000000 0.1458333), wk = 0.0031546 k( 16) = ( 0.1562500 -0.0000000 0.1562500), wk = 0.0031546 k( 17) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0031546 k( 18) = ( 0.1770833 -0.0000000 0.1770833), wk = 0.0031546 k( 19) = ( 0.1875000 0.0000000 0.1875000), wk = 0.0031546 k( 20) = ( 0.1979167 -0.0000000 0.1979167), wk = 0.0031546 k( 21) = ( 0.2083333 -0.0000000 0.2083333), wk = 0.0031546 k( 22) = ( 0.2187500 -0.0000000 0.2187500), wk = 0.0031546 k( 23) = ( 0.2291667 -0.0000000 0.2291667), wk = 0.0031546 k( 24) = ( 0.2395833 -0.0000000 0.2395833), wk = 0.0031546 k( 25) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0031546 k( 26) = ( 0.2604167 -0.0000000 0.2604167), wk = 0.0031546 k( 27) = ( 0.2708333 -0.0000000 0.2708333), wk = 0.0031546 k( 28) = ( 0.2812500 -0.0000000 0.2812500), wk = 0.0031546 k( 29) = ( 0.2916667 -0.0000000 0.2916667), wk = 0.0031546 k( 30) = ( 0.3020833 -0.0000000 0.3020833), wk = 0.0031546 k( 31) = ( 0.3125000 -0.0000000 0.3125000), wk = 0.0031546 k( 32) = ( 0.3229167 -0.0000000 0.3229167), wk = 0.0031546 k( 33) = ( 0.3333333 -0.0000000 0.3333333), wk = 0.0031546 k( 34) = ( 0.3437500 -0.0000000 0.3437500), wk = 0.0031546 k( 35) = ( 0.3541667 -0.0000000 0.3541667), wk = 0.0031546 k( 36) = ( 0.3645833 -0.0000000 0.3645833), wk = 0.0031546 k( 37) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0031546 k( 38) = ( 0.3854167 -0.0000000 0.3854167), wk = 0.0031546 k( 39) = ( 0.3958333 -0.0000000 0.3958333), wk = 0.0031546 k( 40) = ( 0.4062500 -0.0000000 0.4062500), wk = 0.0031546 k( 41) = ( 0.4166667 -0.0000000 0.4166667), wk = 0.0031546 k( 42) = ( 0.4270833 -0.0000000 0.4270833), wk = 0.0031546 k( 43) = ( 0.4375000 -0.0000000 0.4375000), wk = 0.0031546 k( 44) = ( 0.4479167 0.0000000 0.4479167), wk = 0.0031546 k( 45) = ( 0.4583333 0.0000000 0.4583333), wk = 0.0031546 k( 46) = ( 0.4687500 0.0000000 0.4687500), wk = 0.0031546 k( 47) = ( 0.4791667 0.0000000 0.4791667), wk = 0.0031546 k( 48) = ( 0.4895833 0.0000000 0.4895833), wk = 0.0031546 k( 49) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031546 k( 50) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031546 k( 51) = ( 0.5000000 0.0104167 0.5104167), wk = 0.0031546 k( 52) = ( 0.5000000 0.0208333 0.5208333), wk = 0.0031546 k( 53) = ( 0.5000000 0.0312500 0.5312500), wk = 0.0031546 k( 54) = ( 0.5000000 0.0416667 0.5416667), wk = 0.0031546 k( 55) = ( 0.5000000 0.0520833 0.5520833), wk = 0.0031546 k( 56) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0031546 k( 57) = ( 0.5000000 0.0729167 0.5729167), wk = 0.0031546 k( 58) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0031546 k( 59) = ( 0.5000000 0.0937500 0.5937500), wk = 0.0031546 k( 60) = ( 0.5000000 0.1041667 0.6041667), wk = 0.0031546 k( 61) = ( 0.5000000 0.1145833 0.6145833), wk = 0.0031546 k( 62) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0031546 k( 63) = ( 0.5000000 0.1354167 0.6354167), wk = 0.0031546 k( 64) = ( 0.5000000 0.1458333 0.6458333), wk = 0.0031546 k( 65) = ( 0.5000000 0.1562500 0.6562500), wk = 0.0031546 k( 66) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0031546 k( 67) = ( 0.5000000 0.1770833 0.6770833), wk = 0.0031546 k( 68) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0031546 k( 69) = ( 0.5000000 0.1979167 0.6979167), wk = 0.0031546 k( 70) = ( 0.5000000 0.2083333 0.7083333), wk = 0.0031546 k( 71) = ( 0.5000000 0.2187500 0.7187500), wk = 0.0031546 k( 72) = ( 0.5000000 0.2291667 0.7291667), wk = 0.0031546 k( 73) = ( 0.5000000 0.2395833 0.7395833), wk = 0.0031546 k( 74) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031546 k( 75) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031546 k( 76) = ( 0.4926471 0.2573529 0.7500000), wk = 0.0031546 k( 77) = ( 0.4852941 0.2647059 0.7500000), wk = 0.0031546 k( 78) = ( 0.4779412 0.2720588 0.7500000), wk = 0.0031546 k( 79) = ( 0.4705882 0.2794118 0.7500000), wk = 0.0031546 k( 80) = ( 0.4632353 0.2867647 0.7500000), wk = 0.0031546 k( 81) = ( 0.4558823 0.2941177 0.7500000), wk = 0.0031546 k( 82) = ( 0.4485294 0.3014706 0.7500000), wk = 0.0031546 k( 83) = ( 0.4411765 0.3088235 0.7500000), wk = 0.0031546 k( 84) = ( 0.4338235 0.3161765 0.7500000), wk = 0.0031546 k( 85) = ( 0.4264706 0.3235294 0.7500000), wk = 0.0031546 k( 86) = ( 0.4191177 0.3308823 0.7500000), wk = 0.0031546 k( 87) = ( 0.4117647 0.3382353 0.7500000), wk = 0.0031546 k( 88) = ( 0.4044118 0.3455882 0.7500000), wk = 0.0031546 k( 89) = ( 0.3970588 0.3529412 0.7500000), wk = 0.0031546 k( 90) = ( 0.3897059 0.3602941 0.7500000), wk = 0.0031546 k( 91) = ( 0.3823529 0.3676471 0.7500000), wk = 0.0031546 k( 92) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031546 k( 93) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031546 k( 94) = ( 0.3676471 0.3676471 0.7352941), wk = 0.0031546 k( 95) = ( 0.3602941 0.3602941 0.7205882), wk = 0.0031546 k( 96) = ( 0.3529412 0.3529412 0.7058823), wk = 0.0031546 k( 97) = ( 0.3455882 0.3455882 0.6911765), wk = 0.0031546 k( 98) = ( 0.3382353 0.3382353 0.6764706), wk = 0.0031546 k( 99) = ( 0.3308823 0.3308823 0.6617647), wk = 0.0031546 k( 100) = ( 0.3235294 0.3235294 0.6470588), wk = 0.0031546 k( 101) = ( 0.3161765 0.3161765 0.6323529), wk = 0.0031546 k( 102) = ( 0.3088235 0.3088235 0.6176471), wk = 0.0031546 k( 103) = ( 0.3014706 0.3014706 0.6029412), wk = 0.0031546 k( 104) = ( 0.2941177 0.2941177 0.5882353), wk = 0.0031546 k( 105) = ( 0.2867647 0.2867647 0.5735294), wk = 0.0031546 k( 106) = ( 0.2794118 0.2794118 0.5588235), wk = 0.0031546 k( 107) = ( 0.2720588 0.2720588 0.5441176), wk = 0.0031546 k( 108) = ( 0.2647059 0.2647059 0.5294118), wk = 0.0031546 k( 109) = ( 0.2573529 0.2573529 0.5147059), wk = 0.0031546 k( 110) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0031546 k( 111) = ( 0.2426471 0.2426471 0.4852941), wk = 0.0031546 k( 112) = ( 0.2352941 0.2352941 0.4705882), wk = 0.0031546 k( 113) = ( 0.2279412 0.2279412 0.4558823), wk = 0.0031546 k( 114) = ( 0.2205882 0.2205882 0.4411765), wk = 0.0031546 k( 115) = ( 0.2132353 0.2132353 0.4264706), wk = 0.0031546 k( 116) = ( 0.2058823 0.2058823 0.4117647), wk = 0.0031546 k( 117) = ( 0.1985294 0.1985294 0.3970588), wk = 0.0031546 k( 118) = ( 0.1911765 0.1911765 0.3823529), wk = 0.0031546 k( 119) = ( 0.1838235 0.1838235 0.3676471), wk = 0.0031546 k( 120) = ( 0.1764706 0.1764706 0.3529412), wk = 0.0031546 k( 121) = ( 0.1691177 0.1691177 0.3382353), wk = 0.0031546 k( 122) = ( 0.1617647 0.1617647 0.3235294), wk = 0.0031546 k( 123) = ( 0.1544118 0.1544118 0.3088235), wk = 0.0031546 k( 124) = ( 0.1470588 0.1470588 0.2941176), wk = 0.0031546 k( 125) = ( 0.1397059 0.1397059 0.2794118), wk = 0.0031546 k( 126) = ( 0.1323529 0.1323529 0.2647059), wk = 0.0031546 k( 127) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0031546 k( 128) = ( 0.1176471 0.1176471 0.2352941), wk = 0.0031546 k( 129) = ( 0.1102941 0.1102941 0.2205882), wk = 0.0031546 k( 130) = ( 0.1029412 0.1029412 0.2058823), wk = 0.0031546 k( 131) = ( 0.0955882 0.0955882 0.1911765), wk = 0.0031546 k( 132) = ( 0.0882353 0.0882353 0.1764706), wk = 0.0031546 k( 133) = ( 0.0808824 0.0808824 0.1617647), wk = 0.0031546 k( 134) = ( 0.0735294 0.0735294 0.1470588), wk = 0.0031546 k( 135) = ( 0.0661765 0.0661765 0.1323529), wk = 0.0031546 k( 136) = ( 0.0588235 0.0588235 0.1176471), wk = 0.0031546 k( 137) = ( 0.0514706 0.0514706 0.1029412), wk = 0.0031546 k( 138) = ( 0.0441177 0.0441177 0.0882353), wk = 0.0031546 k( 139) = ( 0.0367647 0.0367647 0.0735294), wk = 0.0031546 k( 140) = ( 0.0294118 0.0294118 0.0588235), wk = 0.0031546 k( 141) = ( 0.0220588 0.0220588 0.0441176), wk = 0.0031546 k( 142) = ( 0.0147059 0.0147059 0.0294118), wk = 0.0031546 k( 143) = ( 0.0073529 0.0073529 0.0147059), wk = 0.0031546 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031546 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031546 k( 146) = ( 0.0121951 0.0121951 0.0121951), wk = 0.0031546 k( 147) = ( 0.0243902 0.0243902 0.0243902), wk = 0.0031546 k( 148) = ( 0.0365854 0.0365854 0.0365854), wk = 0.0031546 k( 149) = ( 0.0487805 0.0487805 0.0487805), wk = 0.0031546 k( 150) = ( 0.0609756 0.0609756 0.0609756), wk = 0.0031546 k( 151) = ( 0.0731707 0.0731707 0.0731707), wk = 0.0031546 k( 152) = ( 0.0853658 0.0853658 0.0853658), wk = 0.0031546 k( 153) = ( 0.0975610 0.0975610 0.0975610), wk = 0.0031546 k( 154) = ( 0.1097561 0.1097561 0.1097561), wk = 0.0031546 k( 155) = ( 0.1219512 0.1219512 0.1219512), wk = 0.0031546 k( 156) = ( 0.1341463 0.1341463 0.1341463), wk = 0.0031546 k( 157) = ( 0.1463415 0.1463415 0.1463415), wk = 0.0031546 k( 158) = ( 0.1585366 0.1585366 0.1585366), wk = 0.0031546 k( 159) = ( 0.1707317 0.1707317 0.1707317), wk = 0.0031546 k( 160) = ( 0.1829268 0.1829268 0.1829268), wk = 0.0031546 k( 161) = ( 0.1951219 0.1951219 0.1951219), wk = 0.0031546 k( 162) = ( 0.2073171 0.2073171 0.2073171), wk = 0.0031546 k( 163) = ( 0.2195122 0.2195122 0.2195122), wk = 0.0031546 k( 164) = ( 0.2317073 0.2317073 0.2317073), wk = 0.0031546 k( 165) = ( 0.2439024 0.2439024 0.2439024), wk = 0.0031546 k( 166) = ( 0.2560976 0.2560976 0.2560976), wk = 0.0031546 k( 167) = ( 0.2682927 0.2682927 0.2682927), wk = 0.0031546 k( 168) = ( 0.2804878 0.2804878 0.2804878), wk = 0.0031546 k( 169) = ( 0.2926829 0.2926829 0.2926829), wk = 0.0031546 k( 170) = ( 0.3048781 0.3048781 0.3048781), wk = 0.0031546 k( 171) = ( 0.3170732 0.3170732 0.3170732), wk = 0.0031546 k( 172) = ( 0.3292683 0.3292683 0.3292683), wk = 0.0031546 k( 173) = ( 0.3414634 0.3414634 0.3414634), wk = 0.0031546 k( 174) = ( 0.3536585 0.3536585 0.3536585), wk = 0.0031546 k( 175) = ( 0.3658537 0.3658537 0.3658537), wk = 0.0031546 k( 176) = ( 0.3780488 0.3780488 0.3780488), wk = 0.0031546 k( 177) = ( 0.3902439 0.3902439 0.3902439), wk = 0.0031546 k( 178) = ( 0.4024390 0.4024390 0.4024390), wk = 0.0031546 k( 179) = ( 0.4146341 0.4146341 0.4146341), wk = 0.0031546 k( 180) = ( 0.4268293 0.4268293 0.4268293), wk = 0.0031546 k( 181) = ( 0.4390244 0.4390244 0.4390244), wk = 0.0031546 k( 182) = ( 0.4512195 0.4512195 0.4512195), wk = 0.0031546 k( 183) = ( 0.4634146 0.4634146 0.4634146), wk = 0.0031546 k( 184) = ( 0.4756098 0.4756098 0.4756098), wk = 0.0031546 k( 185) = ( 0.4878049 0.4878049 0.4878049), wk = 0.0031546 k( 186) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031546 k( 187) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031546 k( 188) = ( 0.5043103 0.4913793 0.5043103), wk = 0.0031546 k( 189) = ( 0.5086207 0.4827586 0.5086207), wk = 0.0031546 k( 190) = ( 0.5129310 0.4741379 0.5129310), wk = 0.0031546 k( 191) = ( 0.5172414 0.4655172 0.5172414), wk = 0.0031546 k( 192) = ( 0.5215517 0.4568966 0.5215517), wk = 0.0031546 k( 193) = ( 0.5258621 0.4482759 0.5258621), wk = 0.0031546 k( 194) = ( 0.5301724 0.4396552 0.5301724), wk = 0.0031546 k( 195) = ( 0.5344828 0.4310345 0.5344828), wk = 0.0031546 k( 196) = ( 0.5387931 0.4224138 0.5387931), wk = 0.0031546 k( 197) = ( 0.5431035 0.4137931 0.5431035), wk = 0.0031546 k( 198) = ( 0.5474138 0.4051724 0.5474138), wk = 0.0031546 k( 199) = ( 0.5517241 0.3965517 0.5517241), wk = 0.0031546 k( 200) = ( 0.5560345 0.3879310 0.5560345), wk = 0.0031546 k( 201) = ( 0.5603448 0.3793103 0.5603448), wk = 0.0031546 k( 202) = ( 0.5646552 0.3706897 0.5646552), wk = 0.0031546 k( 203) = ( 0.5689655 0.3620690 0.5689655), wk = 0.0031546 k( 204) = ( 0.5732759 0.3534483 0.5732759), wk = 0.0031546 k( 205) = ( 0.5775862 0.3448276 0.5775862), wk = 0.0031546 k( 206) = ( 0.5818965 0.3362069 0.5818965), wk = 0.0031546 k( 207) = ( 0.5862069 0.3275862 0.5862069), wk = 0.0031546 k( 208) = ( 0.5905172 0.3189655 0.5905172), wk = 0.0031546 k( 209) = ( 0.5948276 0.3103448 0.5948276), wk = 0.0031546 k( 210) = ( 0.5991379 0.3017241 0.5991379), wk = 0.0031546 k( 211) = ( 0.6034483 0.2931034 0.6034483), wk = 0.0031546 k( 212) = ( 0.6077586 0.2844828 0.6077586), wk = 0.0031546 k( 213) = ( 0.6120690 0.2758621 0.6120690), wk = 0.0031546 k( 214) = ( 0.6163793 0.2672414 0.6163793), wk = 0.0031546 k( 215) = ( 0.6206897 0.2586207 0.6206897), wk = 0.0031546 k( 216) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031546 k( 217) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031546 k( 218) = ( 0.6176471 0.2500000 0.6323529), wk = 0.0031546 k( 219) = ( 0.6102941 0.2500000 0.6397059), wk = 0.0031546 k( 220) = ( 0.6029412 0.2500000 0.6470588), wk = 0.0031546 k( 221) = ( 0.5955882 0.2500000 0.6544118), wk = 0.0031546 k( 222) = ( 0.5882353 0.2500000 0.6617647), wk = 0.0031546 k( 223) = ( 0.5808823 0.2500000 0.6691177), wk = 0.0031546 k( 224) = ( 0.5735294 0.2500000 0.6764706), wk = 0.0031546 k( 225) = ( 0.5661765 0.2500000 0.6838235), wk = 0.0031546 k( 226) = ( 0.5588235 0.2500000 0.6911765), wk = 0.0031546 k( 227) = ( 0.5514706 0.2500000 0.6985294), wk = 0.0031546 k( 228) = ( 0.5441177 0.2500000 0.7058823), wk = 0.0031546 k( 229) = ( 0.5367647 0.2500000 0.7132353), wk = 0.0031546 k( 230) = ( 0.5294118 0.2500000 0.7205882), wk = 0.0031546 k( 231) = ( 0.5220588 0.2500000 0.7279412), wk = 0.0031546 k( 232) = ( 0.5147059 0.2500000 0.7352941), wk = 0.0031546 k( 233) = ( 0.5073529 0.2500000 0.7426471), wk = 0.0031546 k( 234) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031546 k( 235) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031546 k( 236) = ( 0.5000000 0.2573529 0.7426471), wk = 0.0031546 k( 237) = ( 0.5000000 0.2647059 0.7352941), wk = 0.0031546 k( 238) = ( 0.5000000 0.2720588 0.7279412), wk = 0.0031546 k( 239) = ( 0.5000000 0.2794118 0.7205882), wk = 0.0031546 k( 240) = ( 0.5000000 0.2867647 0.7132353), wk = 0.0031546 k( 241) = ( 0.5000000 0.2941177 0.7058823), wk = 0.0031546 k( 242) = ( 0.5000000 0.3014706 0.6985294), wk = 0.0031546 k( 243) = ( 0.5000000 0.3088235 0.6911765), wk = 0.0031546 k( 244) = ( 0.5000000 0.3161765 0.6838235), wk = 0.0031546 k( 245) = ( 0.5000000 0.3235294 0.6764706), wk = 0.0031546 k( 246) = ( 0.5000000 0.3308823 0.6691177), wk = 0.0031546 k( 247) = ( 0.5000000 0.3382353 0.6617647), wk = 0.0031546 k( 248) = ( 0.5000000 0.3455882 0.6544118), wk = 0.0031546 k( 249) = ( 0.5000000 0.3529412 0.6470588), wk = 0.0031546 k( 250) = ( 0.5000000 0.3602941 0.6397059), wk = 0.0031546 k( 251) = ( 0.5000000 0.3676471 0.6323529), wk = 0.0031546 k( 252) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0031546 k( 253) = ( 0.5000000 0.3823529 0.6176471), wk = 0.0031546 k( 254) = ( 0.5000000 0.3897059 0.6102941), wk = 0.0031546 k( 255) = ( 0.5000000 0.3970588 0.6029412), wk = 0.0031546 k( 256) = ( 0.5000000 0.4044118 0.5955882), wk = 0.0031546 k( 257) = ( 0.5000000 0.4117647 0.5882353), wk = 0.0031546 k( 258) = ( 0.5000000 0.4191177 0.5808823), wk = 0.0031546 k( 259) = ( 0.5000000 0.4264706 0.5735294), wk = 0.0031546 k( 260) = ( 0.5000000 0.4338235 0.5661765), wk = 0.0031546 k( 261) = ( 0.5000000 0.4411765 0.5588235), wk = 0.0031546 k( 262) = ( 0.5000000 0.4485294 0.5514706), wk = 0.0031546 k( 263) = ( 0.5000000 0.4558823 0.5441177), wk = 0.0031546 k( 264) = ( 0.5000000 0.4632353 0.5367647), wk = 0.0031546 k( 265) = ( 0.5000000 0.4705882 0.5294118), wk = 0.0031546 k( 266) = ( 0.5000000 0.4779412 0.5220588), wk = 0.0031546 k( 267) = ( 0.5000000 0.4852941 0.5147059), wk = 0.0031546 k( 268) = ( 0.5000000 0.4926471 0.5073529), wk = 0.0031546 k( 269) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031546 k( 270) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031546 k( 271) = ( 0.4956897 0.4956897 0.5086207), wk = 0.0031546 k( 272) = ( 0.4913793 0.4913793 0.5172414), wk = 0.0031546 k( 273) = ( 0.4870690 0.4870690 0.5258621), wk = 0.0031546 k( 274) = ( 0.4827586 0.4827586 0.5344828), wk = 0.0031546 k( 275) = ( 0.4784483 0.4784483 0.5431034), wk = 0.0031546 k( 276) = ( 0.4741379 0.4741379 0.5517241), wk = 0.0031546 k( 277) = ( 0.4698276 0.4698276 0.5603448), wk = 0.0031546 k( 278) = ( 0.4655172 0.4655172 0.5689655), wk = 0.0031546 k( 279) = ( 0.4612069 0.4612069 0.5775862), wk = 0.0031546 k( 280) = ( 0.4568966 0.4568966 0.5862069), wk = 0.0031546 k( 281) = ( 0.4525862 0.4525862 0.5948276), wk = 0.0031546 k( 282) = ( 0.4482759 0.4482759 0.6034483), wk = 0.0031546 k( 283) = ( 0.4439655 0.4439655 0.6120690), wk = 0.0031546 k( 284) = ( 0.4396552 0.4396552 0.6206897), wk = 0.0031546 k( 285) = ( 0.4353448 0.4353448 0.6293103), wk = 0.0031546 k( 286) = ( 0.4310345 0.4310345 0.6379310), wk = 0.0031546 k( 287) = ( 0.4267241 0.4267241 0.6465517), wk = 0.0031546 k( 288) = ( 0.4224138 0.4224138 0.6551724), wk = 0.0031546 k( 289) = ( 0.4181034 0.4181034 0.6637931), wk = 0.0031546 k( 290) = ( 0.4137931 0.4137931 0.6724138), wk = 0.0031546 k( 291) = ( 0.4094828 0.4094828 0.6810345), wk = 0.0031546 k( 292) = ( 0.4051724 0.4051724 0.6896552), wk = 0.0031546 k( 293) = ( 0.4008621 0.4008621 0.6982759), wk = 0.0031546 k( 294) = ( 0.3965517 0.3965517 0.7068965), wk = 0.0031546 k( 295) = ( 0.3922414 0.3922414 0.7155172), wk = 0.0031546 k( 296) = ( 0.3879310 0.3879310 0.7241379), wk = 0.0031546 k( 297) = ( 0.3836207 0.3836207 0.7327586), wk = 0.0031546 k( 298) = ( 0.3793103 0.3793103 0.7413793), wk = 0.0031546 k( 299) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031546 k( 300) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031546 k( 301) = ( 0.6176471 0.2352941 0.6176471), wk = 0.0031546 k( 302) = ( 0.6102941 0.2205882 0.6102941), wk = 0.0031546 k( 303) = ( 0.6029412 0.2058823 0.6029412), wk = 0.0031546 k( 304) = ( 0.5955882 0.1911765 0.5955882), wk = 0.0031546 k( 305) = ( 0.5882353 0.1764706 0.5882353), wk = 0.0031546 k( 306) = ( 0.5808823 0.1617647 0.5808823), wk = 0.0031546 k( 307) = ( 0.5735294 0.1470588 0.5735294), wk = 0.0031546 k( 308) = ( 0.5661765 0.1323529 0.5661765), wk = 0.0031546 k( 309) = ( 0.5588235 0.1176471 0.5588235), wk = 0.0031546 k( 310) = ( 0.5514706 0.1029412 0.5514706), wk = 0.0031546 k( 311) = ( 0.5441177 0.0882353 0.5441177), wk = 0.0031546 k( 312) = ( 0.5367647 0.0735294 0.5367647), wk = 0.0031546 k( 313) = ( 0.5294118 0.0588235 0.5294118), wk = 0.0031546 k( 314) = ( 0.5220588 0.0441176 0.5220588), wk = 0.0031546 k( 315) = ( 0.5147059 0.0294118 0.5147059), wk = 0.0031546 k( 316) = ( 0.5073529 0.0147059 0.5073529), wk = 0.0031546 k( 317) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031546 Dense grid: 81931 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 70049 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.30 Mb ( 496, 40) NL pseudopotentials 0.36 Mb ( 248, 96) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2276) G-vector shells 0.00 Mb ( 548) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.21 Mb ( 496, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.12 Mb ( 96, 2, 40) The potential is recalculated from file : ./Li2BiAu.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 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 3.9 secs Computing kpt #: 3 total cpu time spent up to now is 4.6 secs Computing kpt #: 4 total cpu time spent up to now is 5.2 secs Computing kpt #: 5 total cpu time spent up to now is 5.9 secs Computing kpt #: 6 total cpu time spent up to now is 6.5 secs Computing kpt #: 7 total cpu time spent up to now is 7.1 secs Computing kpt #: 8 total cpu time spent up to now is 7.8 secs Computing kpt #: 9 total cpu time spent up to now is 8.4 secs Computing kpt #: 10 total cpu time spent up to now is 9.2 secs Computing kpt #: 11 total cpu time spent up to now is 9.9 secs Computing kpt #: 12 total cpu time spent up to now is 10.7 secs Computing kpt #: 13 total cpu time spent up to now is 11.4 secs Computing kpt #: 14 total cpu time spent up to now is 12.3 secs Computing kpt #: 15 total cpu time spent up to now is 13.2 secs Computing kpt #: 16 total cpu time spent up to now is 14.1 secs Computing kpt #: 17 total cpu time spent up to now is 15.0 secs Computing kpt #: 18 total cpu time spent up to now is 15.8 secs Computing kpt #: 19 total cpu time spent up to now is 16.7 secs Computing kpt #: 20 total cpu time spent up to now is 17.5 secs Computing kpt #: 21 total cpu time spent up to now is 18.5 secs Computing kpt #: 22 total cpu time spent up to now is 19.3 secs Computing kpt #: 23 total cpu time spent up to now is 20.2 secs Computing kpt #: 24 total cpu time spent up to now is 21.1 secs Computing kpt #: 25 total cpu time spent up to now is 22.0 secs Computing kpt #: 26 total cpu time spent up to now is 22.8 secs Computing kpt #: 27 total cpu time spent up to now is 23.8 secs Computing kpt #: 28 total cpu time spent up to now is 24.7 secs Computing kpt #: 29 total cpu time spent up to now is 25.5 secs Computing kpt #: 30 total cpu time spent up to now is 26.4 secs Computing kpt #: 31 total cpu time spent up to now is 27.3 secs Computing kpt #: 32 total cpu time spent up to now is 28.1 secs Computing kpt #: 33 total cpu time spent up to now is 28.9 secs Computing kpt #: 34 total cpu time spent up to now is 29.8 secs Computing kpt #: 35 total cpu time spent up to now is 30.7 secs Computing kpt #: 36 total cpu time spent up to now is 31.5 secs Computing kpt #: 37 total cpu time spent up to now is 32.3 secs Computing kpt #: 38 total cpu time spent up to now is 33.2 secs Computing kpt #: 39 total cpu time spent up to now is 34.0 secs Computing kpt #: 40 total cpu time spent up to now is 34.8 secs Computing kpt #: 41 total cpu time spent up to now is 35.6 secs Computing kpt #: 42 total cpu time spent up to now is 36.3 secs Computing kpt #: 43 total cpu time spent up to now is 37.1 secs Computing kpt #: 44 total cpu time spent up to now is 37.9 secs Computing kpt #: 45 total cpu time spent up to now is 38.8 secs Computing kpt #: 46 total cpu time spent up to now is 39.5 secs Computing kpt #: 47 total cpu time spent up to now is 40.4 secs Computing kpt #: 48 total cpu time spent up to now is 41.1 secs Computing kpt #: 49 total cpu time spent up to now is 41.8 secs Computing kpt #: 50 total cpu time spent up to now is 42.5 secs Computing kpt #: 51 total cpu time spent up to now is 43.3 secs Computing kpt #: 52 total cpu time spent up to now is 43.9 secs Computing kpt #: 53 total cpu time spent up to now is 44.8 secs Computing kpt #: 54 total cpu time spent up to now is 45.6 secs Computing kpt #: 55 total cpu time spent up to now is 46.3 secs Computing kpt #: 56 total cpu time spent up to now is 47.1 secs Computing kpt #: 57 total cpu time spent up to now is 47.9 secs Computing kpt #: 58 total cpu time spent up to now is 48.5 secs Computing kpt #: 59 total cpu time spent up to now is 49.1 secs Computing kpt #: 60 total cpu time spent up to now is 49.8 secs Computing kpt #: 61 total cpu time spent up to now is 50.5 secs Computing kpt #: 62 total cpu time spent up to now is 51.1 secs Computing kpt #: 63 total cpu time spent up to now is 51.8 secs Computing kpt #: 64 total cpu time spent up to now is 52.4 secs Computing kpt #: 65 total cpu time spent up to now is 53.0 secs Computing kpt #: 66 total cpu time spent up to now is 53.6 secs Computing kpt #: 67 total cpu time spent up to now is 54.3 secs Computing kpt #: 68 total cpu time spent up to now is 54.9 secs Computing kpt #: 69 total cpu time spent up to now is 55.6 secs Computing kpt #: 70 total cpu time spent up to now is 56.2 secs Computing kpt #: 71 total cpu time spent up to now is 56.8 secs Computing kpt #: 72 total cpu time spent up to now is 57.4 secs Computing kpt #: 73 total cpu time spent up to now is 58.0 secs Computing kpt #: 74 total cpu time spent up to now is 58.7 secs Computing kpt #: 75 total cpu time spent up to now is 59.3 secs Computing kpt #: 76 total cpu time spent up to now is 59.9 secs Computing kpt #: 77 total cpu time spent up to now is 60.6 secs Computing kpt #: 78 total cpu time spent up to now is 61.2 secs Computing kpt #: 79 total cpu time spent up to now is 61.9 secs Computing kpt #: 80 total cpu time spent up to now is 62.5 secs Computing kpt #: 81 total cpu time spent up to now is 63.1 secs Computing kpt #: 82 total cpu time spent up to now is 63.7 secs Computing kpt #: 83 total cpu time spent up to now is 64.4 secs Computing kpt #: 84 total cpu time spent up to now is 65.1 secs Computing kpt #: 85 total cpu time spent up to now is 65.8 secs Computing kpt #: 86 total cpu time spent up to now is 66.5 secs Computing kpt #: 87 total cpu time spent up to now is 67.3 secs Computing kpt #: 88 total cpu time spent up to now is 68.2 secs Computing kpt #: 89 total cpu time spent up to now is 69.1 secs Computing kpt #: 90 total cpu time spent up to now is 69.9 secs Computing kpt #: 91 total cpu time spent up to now is 70.6 secs Computing kpt #: 92 total cpu time spent up to now is 71.3 secs Computing kpt #: 93 total cpu time spent up to now is 72.0 secs Computing kpt #: 94 total cpu time spent up to now is 72.7 secs Computing kpt #: 95 total cpu time spent up to now is 73.3 secs Computing kpt #: 96 total cpu time spent up to now is 74.0 secs Computing kpt #: 97 total cpu time spent up to now is 74.6 secs Computing kpt #: 98 total cpu time spent up to now is 75.3 secs Computing kpt #: 99 total cpu time spent up to now is 75.9 secs Computing kpt #: 100 total cpu time spent up to now is 76.5 secs Computing kpt #: 101 total cpu time spent up to now is 77.1 secs Computing kpt #: 102 total cpu time spent up to now is 77.7 secs Computing kpt #: 103 total cpu time spent up to now is 78.4 secs Computing kpt #: 104 total cpu time spent up to now is 79.0 secs Computing kpt #: 105 total cpu time spent up to now is 79.6 secs Computing kpt #: 106 total cpu time spent up to now is 80.2 secs Computing kpt #: 107 total cpu time spent up to now is 80.8 secs Computing kpt #: 108 total cpu time spent up to now is 81.4 secs Computing kpt #: 109 total cpu time spent up to now is 82.2 secs Computing kpt #: 110 total cpu time spent up to now is 82.8 secs Computing kpt #: 111 total cpu time spent up to now is 83.7 secs Computing kpt #: 112 total cpu time spent up to now is 84.7 secs Computing kpt #: 113 total cpu time spent up to now is 85.6 secs Computing kpt #: 114 total cpu time spent up to now is 86.4 secs Computing kpt #: 115 total cpu time spent up to now is 87.3 secs Computing kpt #: 116 total cpu time spent up to now is 88.1 secs Computing kpt #: 117 total cpu time spent up to now is 88.9 secs Computing kpt #: 118 total cpu time spent up to now is 89.9 secs Computing kpt #: 119 total cpu time spent up to now is 90.9 secs Computing kpt #: 120 total cpu time spent up to now is 91.7 secs Computing kpt #: 121 total cpu time spent up to now is 92.6 secs Computing kpt #: 122 total cpu time spent up to now is 93.5 secs Computing kpt #: 123 total cpu time spent up to now is 94.7 secs Computing kpt #: 124 total cpu time spent up to now is 96.1 secs Computing kpt #: 125 total cpu time spent up to now is 97.1 secs Computing kpt #: 126 total cpu time spent up to now is 98.0 secs Computing kpt #: 127 total cpu time spent up to now is 99.0 secs Computing kpt #: 128 total cpu time spent up to now is 100.0 secs Computing kpt #: 129 total cpu time spent up to now is 100.8 secs Computing kpt #: 130 total cpu time spent up to now is 101.6 secs Computing kpt #: 131 total cpu time spent up to now is 102.3 secs Computing kpt #: 132 total cpu time spent up to now is 103.1 secs Computing kpt #: 133 total cpu time spent up to now is 103.8 secs Computing kpt #: 134 total cpu time spent up to now is 104.5 secs Computing kpt #: 135 total cpu time spent up to now is 105.3 secs Computing kpt #: 136 total cpu time spent up to now is 106.0 secs Computing kpt #: 137 total cpu time spent up to now is 106.8 secs Computing kpt #: 138 total cpu time spent up to now is 107.5 secs Computing kpt #: 139 total cpu time spent up to now is 108.2 secs Computing kpt #: 140 total cpu time spent up to now is 108.9 secs Computing kpt #: 141 total cpu time spent up to now is 109.6 secs Computing kpt #: 142 total cpu time spent up to now is 110.2 secs Computing kpt #: 143 total cpu time spent up to now is 110.8 secs Computing kpt #: 144 total cpu time spent up to now is 111.5 secs Computing kpt #: 145 total cpu time spent up to now is 112.1 secs Computing kpt #: 146 total cpu time spent up to now is 112.8 secs Computing kpt #: 147 total cpu time spent up to now is 113.4 secs Computing kpt #: 148 total cpu time spent up to now is 114.0 secs Computing kpt #: 149 total cpu time spent up to now is 114.7 secs Computing kpt #: 150 total cpu time spent up to now is 115.3 secs Computing kpt #: 151 total cpu time spent up to now is 116.0 secs Computing kpt #: 152 total cpu time spent up to now is 116.7 secs Computing kpt #: 153 total cpu time spent up to now is 117.4 secs Computing kpt #: 154 total cpu time spent up to now is 118.2 secs Computing kpt #: 155 total cpu time spent up to now is 118.9 secs Computing kpt #: 156 total cpu time spent up to now is 119.7 secs Computing kpt #: 157 total cpu time spent up to now is 120.4 secs Computing kpt #: 158 total cpu time spent up to now is 121.2 secs Computing kpt #: 159 total cpu time spent up to now is 122.0 secs Computing kpt #: 160 total cpu time spent up to now is 122.7 secs Computing kpt #: 161 total cpu time spent up to now is 123.4 secs Computing kpt #: 162 total cpu time spent up to now is 124.2 secs Computing kpt #: 163 total cpu time spent up to now is 125.0 secs Computing kpt #: 164 total cpu time spent up to now is 125.8 secs Computing kpt #: 165 total cpu time spent up to now is 126.7 secs Computing kpt #: 166 total cpu time spent up to now is 127.5 secs Computing kpt #: 167 total cpu time spent up to now is 128.5 secs Computing kpt #: 168 total cpu time spent up to now is 129.3 secs Computing kpt #: 169 total cpu time spent up to now is 130.1 secs Computing kpt #: 170 total cpu time spent up to now is 131.0 secs Computing kpt #: 171 total cpu time spent up to now is 131.7 secs Computing kpt #: 172 total cpu time spent up to now is 132.5 secs Computing kpt #: 173 total cpu time spent up to now is 133.2 secs Computing kpt #: 174 total cpu time spent up to now is 134.0 secs Computing kpt #: 175 total cpu time spent up to now is 134.8 secs Computing kpt #: 176 total cpu time spent up to now is 135.4 secs Computing kpt #: 177 total cpu time spent up to now is 136.1 secs Computing kpt #: 178 total cpu time spent up to now is 136.8 secs Computing kpt #: 179 total cpu time spent up to now is 137.4 secs Computing kpt #: 180 total cpu time spent up to now is 138.1 secs Computing kpt #: 181 total cpu time spent up to now is 138.7 secs Computing kpt #: 182 total cpu time spent up to now is 139.3 secs Computing kpt #: 183 total cpu time spent up to now is 139.9 secs Computing kpt #: 184 total cpu time spent up to now is 140.5 secs Computing kpt #: 185 total cpu time spent up to now is 141.1 secs Computing kpt #: 186 total cpu time spent up to now is 141.7 secs Computing kpt #: 187 total cpu time spent up to now is 142.3 secs Computing kpt #: 188 total cpu time spent up to now is 142.9 secs Computing kpt #: 189 total cpu time spent up to now is 143.6 secs Computing kpt #: 190 total cpu time spent up to now is 144.2 secs Computing kpt #: 191 total cpu time spent up to now is 144.8 secs Computing kpt #: 192 total cpu time spent up to now is 145.4 secs Computing kpt #: 193 total cpu time spent up to now is 146.1 secs Computing kpt #: 194 total cpu time spent up to now is 146.7 secs Computing kpt #: 195 total cpu time spent up to now is 147.3 secs Computing kpt #: 196 total cpu time spent up to now is 148.0 secs Computing kpt #: 197 total cpu time spent up to now is 148.8 secs Computing kpt #: 198 total cpu time spent up to now is 149.5 secs Computing kpt #: 199 total cpu time spent up to now is 150.2 secs Computing kpt #: 200 total cpu time spent up to now is 151.0 secs Computing kpt #: 201 total cpu time spent up to now is 151.7 secs Computing kpt #: 202 total cpu time spent up to now is 152.4 secs Computing kpt #: 203 total cpu time spent up to now is 153.1 secs Computing kpt #: 204 total cpu time spent up to now is 153.7 secs Computing kpt #: 205 total cpu time spent up to now is 154.3 secs Computing kpt #: 206 total cpu time spent up to now is 154.9 secs Computing kpt #: 207 total cpu time spent up to now is 155.5 secs Computing kpt #: 208 total cpu time spent up to now is 156.1 secs Computing kpt #: 209 total cpu time spent up to now is 156.7 secs Computing kpt #: 210 total cpu time spent up to now is 157.4 secs Computing kpt #: 211 total cpu time spent up to now is 158.1 secs Computing kpt #: 212 total cpu time spent up to now is 158.7 secs Computing kpt #: 213 total cpu time spent up to now is 159.3 secs Computing kpt #: 214 total cpu time spent up to now is 159.9 secs Computing kpt #: 215 total cpu time spent up to now is 160.5 secs Computing kpt #: 216 total cpu time spent up to now is 161.3 secs Computing kpt #: 217 total cpu time spent up to now is 161.9 secs Computing kpt #: 218 total cpu time spent up to now is 162.6 secs Computing kpt #: 219 total cpu time spent up to now is 163.4 secs Computing kpt #: 220 total cpu time spent up to now is 164.3 secs Computing kpt #: 221 total cpu time spent up to now is 165.1 secs Computing kpt #: 222 total cpu time spent up to now is 165.9 secs Computing kpt #: 223 total cpu time spent up to now is 166.6 secs Computing kpt #: 224 total cpu time spent up to now is 167.3 secs Computing kpt #: 225 total cpu time spent up to now is 168.0 secs Computing kpt #: 226 total cpu time spent up to now is 168.6 secs Computing kpt #: 227 total cpu time spent up to now is 169.3 secs Computing kpt #: 228 total cpu time spent up to now is 169.9 secs Computing kpt #: 229 total cpu time spent up to now is 170.5 secs Computing kpt #: 230 total cpu time spent up to now is 171.1 secs Computing kpt #: 231 total cpu time spent up to now is 171.7 secs Computing kpt #: 232 total cpu time spent up to now is 172.3 secs Computing kpt #: 233 total cpu time spent up to now is 173.0 secs Computing kpt #: 234 total cpu time spent up to now is 173.6 secs Computing kpt #: 235 total cpu time spent up to now is 174.2 secs Computing kpt #: 236 total cpu time spent up to now is 174.9 secs Computing kpt #: 237 total cpu time spent up to now is 175.5 secs Computing kpt #: 238 total cpu time spent up to now is 176.1 secs Computing kpt #: 239 total cpu time spent up to now is 176.7 secs Computing kpt #: 240 total cpu time spent up to now is 177.3 secs Computing kpt #: 241 total cpu time spent up to now is 177.9 secs Computing kpt #: 242 total cpu time spent up to now is 178.5 secs Computing kpt #: 243 total cpu time spent up to now is 179.2 secs Computing kpt #: 244 total cpu time spent up to now is 180.0 secs Computing kpt #: 245 total cpu time spent up to now is 180.8 secs Computing kpt #: 246 total cpu time spent up to now is 181.6 secs Computing kpt #: 247 total cpu time spent up to now is 182.3 secs Computing kpt #: 248 total cpu time spent up to now is 183.1 secs Computing kpt #: 249 total cpu time spent up to now is 183.8 secs Computing kpt #: 250 total cpu time spent up to now is 184.6 secs Computing kpt #: 251 total cpu time spent up to now is 185.3 secs Computing kpt #: 252 total cpu time spent up to now is 186.0 secs Computing kpt #: 253 total cpu time spent up to now is 186.7 secs Computing kpt #: 254 total cpu time spent up to now is 187.4 secs Computing kpt #: 255 total cpu time spent up to now is 188.1 secs Computing kpt #: 256 total cpu time spent up to now is 188.8 secs Computing kpt #: 257 total cpu time spent up to now is 189.5 secs Computing kpt #: 258 total cpu time spent up to now is 190.3 secs Computing kpt #: 259 total cpu time spent up to now is 191.0 secs Computing kpt #: 260 total cpu time spent up to now is 191.8 secs Computing kpt #: 261 total cpu time spent up to now is 192.5 secs Computing kpt #: 262 total cpu time spent up to now is 193.1 secs Computing kpt #: 263 total cpu time spent up to now is 193.7 secs Computing kpt #: 264 total cpu time spent up to now is 194.4 secs Computing kpt #: 265 total cpu time spent up to now is 195.0 secs Computing kpt #: 266 total cpu time spent up to now is 195.6 secs Computing kpt #: 267 total cpu time spent up to now is 196.3 secs Computing kpt #: 268 total cpu time spent up to now is 196.9 secs Computing kpt #: 269 total cpu time spent up to now is 197.5 secs Computing kpt #: 270 total cpu time spent up to now is 198.1 secs Computing kpt #: 271 total cpu time spent up to now is 198.7 secs Computing kpt #: 272 total cpu time spent up to now is 199.4 secs Computing kpt #: 273 total cpu time spent up to now is 200.0 secs Computing kpt #: 274 total cpu time spent up to now is 200.6 secs Computing kpt #: 275 total cpu time spent up to now is 201.3 secs Computing kpt #: 276 total cpu time spent up to now is 201.9 secs Computing kpt #: 277 total cpu time spent up to now is 202.5 secs Computing kpt #: 278 total cpu time spent up to now is 203.2 secs Computing kpt #: 279 total cpu time spent up to now is 203.9 secs Computing kpt #: 280 total cpu time spent up to now is 204.6 secs Computing kpt #: 281 total cpu time spent up to now is 205.4 secs Computing kpt #: 282 total cpu time spent up to now is 206.2 secs Computing kpt #: 283 total cpu time spent up to now is 206.9 secs Computing kpt #: 284 total cpu time spent up to now is 207.6 secs Computing kpt #: 285 total cpu time spent up to now is 208.3 secs Computing kpt #: 286 total cpu time spent up to now is 208.9 secs Computing kpt #: 287 total cpu time spent up to now is 209.7 secs Computing kpt #: 288 total cpu time spent up to now is 210.3 secs Computing kpt #: 289 total cpu time spent up to now is 211.0 secs Computing kpt #: 290 total cpu time spent up to now is 211.5 secs Computing kpt #: 291 total cpu time spent up to now is 212.2 secs Computing kpt #: 292 total cpu time spent up to now is 212.8 secs Computing kpt #: 293 total cpu time spent up to now is 213.5 secs Computing kpt #: 294 total cpu time spent up to now is 214.1 secs Computing kpt #: 295 total cpu time spent up to now is 214.7 secs Computing kpt #: 296 total cpu time spent up to now is 215.3 secs Computing kpt #: 297 total cpu time spent up to now is 216.0 secs Computing kpt #: 298 total cpu time spent up to now is 216.6 secs Computing kpt #: 299 total cpu time spent up to now is 217.3 secs Computing kpt #: 300 total cpu time spent up to now is 218.1 secs Computing kpt #: 301 total cpu time spent up to now is 218.8 secs Computing kpt #: 302 total cpu time spent up to now is 219.5 secs Computing kpt #: 303 total cpu time spent up to now is 220.3 secs Computing kpt #: 304 total cpu time spent up to now is 221.0 secs Computing kpt #: 305 total cpu time spent up to now is 221.8 secs Computing kpt #: 306 total cpu time spent up to now is 222.6 secs Computing kpt #: 307 total cpu time spent up to now is 223.4 secs Computing kpt #: 308 total cpu time spent up to now is 224.2 secs Computing kpt #: 309 total cpu time spent up to now is 225.0 secs Computing kpt #: 310 total cpu time spent up to now is 225.8 secs Computing kpt #: 311 total cpu time spent up to now is 226.6 secs Computing kpt #: 312 total cpu time spent up to now is 227.4 secs Computing kpt #: 313 total cpu time spent up to now is 228.2 secs Computing kpt #: 314 total cpu time spent up to now is 229.0 secs Computing kpt #: 315 total cpu time spent up to now is 229.8 secs Computing kpt #: 316 total cpu time spent up to now is 230.5 secs Computing kpt #: 317 total cpu time spent up to now is 231.2 secs ethr = 3.13E-08, avg # of iterations = 23.7 total cpu time spent up to now is 231.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8801 PWs) bands (ev): -37.2634 -37.2634 -36.8528 -36.8528 -14.2518 -14.2518 -14.2518 -14.2518 -11.3004 -11.3004 -11.2760 -11.2760 -11.2760 -11.2760 -2.0021 -2.0021 4.1136 4.1136 4.1136 4.1136 4.7008 4.7008 5.7345 5.7345 5.7345 5.7345 8.8633 8.8633 9.8408 9.8408 11.4918 11.4918 11.4918 11.4918 11.9585 11.9585 12.6136 12.6136 12.6136 12.6136 k = 0.0104-0.0060 0.0085 ( 8801 PWs) bands (ev): -37.2634 -37.2634 -36.8528 -36.8528 -14.2518 -14.2518 -14.2517 -14.2517 -11.3004 -11.3004 -11.2761 -11.2761 -11.2759 -11.2759 -2.0013 -2.0013 4.1115 4.1115 4.1158 4.1158 4.7007 4.7007 5.7308 5.7308 5.7377 5.7377 8.8579 8.8579 9.8400 9.8400 11.4610 11.4610 11.4904 11.4904 11.9804 11.9804 12.6174 12.6174 12.6221 12.6221 k = 0.0208-0.0120 0.0170 ( 8777 PWs) bands (ev): -37.2634 -37.2634 -36.8528 -36.8528 -14.2518 -14.2518 -14.2517 -14.2517 -11.3004 -11.3004 -11.2761 -11.2761 -11.2758 -11.2758 -1.9989 -1.9989 4.1095 4.1095 4.1181 4.1181 4.7003 4.7003 5.7266 5.7266 5.7404 5.7404 8.8420 8.8420 9.8374 9.8374 11.3854 11.3854 11.4841 11.4841 12.0315 12.0315 12.6302 12.6302 12.6467 12.6467 k = 0.0312-0.0180 0.0255 ( 8761 PWs) bands (ev): -37.2634 -37.2634 -36.8528 -36.8528 -14.2519 -14.2519 -14.2517 -14.2517 -11.3003 -11.3003 -11.2762 -11.2762 -11.2758 -11.2758 -1.9949 -1.9949 4.1075 4.1075 4.1207 4.1207 4.6996 4.6996 5.7218 5.7218 5.7427 5.7427 8.8163 8.8163 9.8320 9.8320 11.2847 11.2847 11.4752 11.4752 12.0888 12.0888 12.6532 12.6532 12.6872 12.6872 k = 0.0417-0.0241 0.0340 ( 8753 PWs) bands (ev): -37.2634 -37.2634 -36.8528 -36.8528 -14.2519 -14.2519 -14.2516 -14.2516 -11.3003 -11.3003 -11.2762 -11.2762 -11.2757 -11.2757 -1.9893 -1.9893 4.1056 4.1056 4.1234 4.1234 4.6987 4.6987 5.7166 5.7166 5.7447 5.7447 8.7816 8.7816 9.8224 9.8224 11.1711 11.1711 11.4660 11.4660 12.1382 12.1382 12.6876 12.6876 12.7427 12.7427 k = 0.0521-0.0301 0.0425 ( 8745 PWs) bands (ev): -37.2634 -37.2634 -36.8528 -36.8528 -14.2519 -14.2519 -14.2516 -14.2516 -11.3002 -11.3002 -11.2763 -11.2763 -11.2756 -11.2756 -1.9822 -1.9822 4.1037 4.1037 4.1264 4.1264 4.6976 4.6976 5.7108 5.7108 5.7463 5.7463 8.7391 8.7391 9.8072 9.8072 11.0506 11.0506 11.4588 11.4588 12.1734 12.1734 12.7330 12.7330 12.8120 12.8120 k = 0.0625-0.0361 0.0510 ( 8753 PWs) bands (ev): -37.2634 -37.2634 -36.8528 -36.8528 -14.2519 -14.2519 -14.2515 -14.2515 -11.3002 -11.3002 -11.2763 -11.2763 -11.2755 -11.2755 -1.9735 -1.9735 4.1017 4.1017 4.1296 4.1296 4.6963 4.6963 5.7044 5.7044 5.7476 5.7476 8.6898 8.6898 9.7849 9.7849 10.9262 10.9262 11.4554 11.4554 12.1937 12.1937 12.7877 12.7877 12.8930 12.8930 k = 0.0729-0.0421 0.0595 ( 8745 PWs) bands (ev): -37.2634 -37.2634 -36.8528 -36.8528 -14.2519 -14.2519 -14.2515 -14.2515 -11.3001 -11.3001 -11.2763 -11.2763 -11.2754 -11.2754 -1.9633 -1.9633 4.0996 4.0996 4.1331 4.1331 4.6948 4.6948 5.6976 5.6976 5.7486 5.7486 8.6347 8.6347 9.7545 9.7545 10.7996 10.7996 11.4572 11.4572 12.2013 12.2013 12.8492 12.8492 12.9828 12.9828 k = 0.0833-0.0481 0.0680 ( 8745 PWs) bands (ev): -37.2634 -37.2634 -36.8528 -36.8528 -14.2519 -14.2519 -14.2514 -14.2514 -11.3000 -11.3000 -11.2764 -11.2764 -11.2753 -11.2753 -1.9515 -1.9515 4.0974 4.0974 4.1369 4.1369 4.6931 4.6931 5.6904 5.6904 5.7495 5.7495 8.5748 8.5748 9.7156 9.7156 10.6720 10.6720 11.4648 11.4648 12.1992 12.1992 12.9152 12.9152 13.0783 13.0783 k = 0.0938-0.0541 0.0765 ( 8761 PWs) bands (ev): -37.2634 -37.2634 -36.8529 -36.8529 -14.2519 -14.2519 -14.2513 -14.2513 -11.2999 -11.2999 -11.2764 -11.2764 -11.2752 -11.2752 -1.9383 -1.9383 4.0950 4.0950 4.1410 4.1410 4.6913 4.6913 5.6827 5.6827 5.7502 5.7502 8.5108 8.5108 9.6680 9.6680 10.5439 10.5439 11.4782 11.4782 12.1899 12.1899 12.9841 12.9841 13.1772 13.1772 k = 0.1042-0.0601 0.0851 ( 8781 PWs) bands (ev): -37.2634 -37.2634 -36.8529 -36.8529 -14.2519 -14.2519 -14.2513 -14.2513 -11.2998 -11.2998 -11.2764 -11.2764 -11.2751 -11.2751 -1.9236 -1.9236 4.0923 4.0923 4.1454 4.1454 4.6894 4.6894 5.6747 5.6747 5.7508 5.7508 8.4435 8.4435 9.6122 9.6122 10.4160 10.4160 11.4966 11.4966 12.1753 12.1753 13.0541 13.0541 13.2774 13.2774 k = 0.1146-0.0662 0.0936 ( 8773 PWs) bands (ev): -37.2634 -37.2634 -36.8529 -36.8529 -14.2519 -14.2519 -14.2512 -14.2512 -11.2996 -11.2996 -11.2764 -11.2764 -11.2750 -11.2750 -1.9075 -1.9075 4.0893 4.0893 4.1501 4.1501 4.6874 4.6874 5.6664 5.6664 5.7513 5.7513 8.3732 8.3732 9.5488 9.5488 10.2886 10.2886 11.5188 11.5188 12.1568 12.1568 13.1236 13.1236 13.3778 13.3778 k = 0.1250-0.0722 0.1021 ( 8773 PWs) bands (ev): -37.2634 -37.2634 -36.8529 -36.8529 -14.2519 -14.2519 -14.2512 -14.2512 -11.2995 -11.2995 -11.2764 -11.2764 -11.2749 -11.2749 -1.8900 -1.8900 4.0859 4.0859 4.1553 4.1553 4.6854 4.6854 5.6579 5.6579 5.7518 5.7518 8.3006 8.3006 9.4788 9.4788 10.1620 10.1620 11.5432 11.5432 12.1351 12.1351 13.1900 13.1900 13.4776 13.4776 k = 0.1354-0.0782 0.1106 ( 8781 PWs) bands (ev): -37.2633 -37.2633 -36.8529 -36.8529 -14.2519 -14.2519 -14.2511 -14.2511 -11.2994 -11.2994 -11.2764 -11.2764 -11.2748 -11.2748 -1.8711 -1.8711 4.0821 4.0821 4.1608 4.1608 4.6834 4.6834 5.6493 5.6493 5.7524 5.7524 8.2260 8.2260 9.4031 9.4031 10.0365 10.0365 11.5682 11.5682 12.1107 12.1107 13.2494 13.2494 13.5760 13.5760 k = 0.1458-0.0842 0.1191 ( 8789 PWs) bands (ev): -37.2633 -37.2633 -36.8529 -36.8529 -14.2519 -14.2519 -14.2510 -14.2510 -11.2992 -11.2992 -11.2764 -11.2764 -11.2747 -11.2747 -1.8509 -1.8509 4.0778 4.0778 4.1666 4.1666 4.6815 4.6815 5.6408 5.6408 5.7530 5.7530 8.1497 8.1497 9.3227 9.3227 9.9123 9.9123 11.5919 11.5919 12.0839 12.0839 13.2970 13.2970 13.6709 13.6709 k = 0.1562-0.0902 0.1276 ( 8780 PWs) bands (ev): -37.2633 -37.2633 -36.8529 -36.8529 -14.2519 -14.2519 -14.2510 -14.2510 -11.2990 -11.2990 -11.2764 -11.2764 -11.2746 -11.2746 -1.8295 -1.8295 4.0729 4.0729 4.1729 4.1729 4.6796 4.6796 5.6323 5.6323 5.7537 5.7537 8.0721 8.0721 9.2384 9.2384 9.7895 9.7895 11.6129 11.6129 12.0545 12.0545 13.3303 13.3303 13.7446 13.7446 k = 0.1667-0.0962 0.1361 ( 8772 PWs) bands (ev): -37.2633 -37.2633 -36.8529 -36.8529 -14.2519 -14.2519 -14.2509 -14.2509 -11.2989 -11.2989 -11.2764 -11.2764 -11.2744 -11.2744 -1.8069 -1.8069 4.0674 4.0674 4.1796 4.1796 4.6778 4.6778 5.6241 5.6241 5.7546 5.7546 7.9933 7.9933 9.1510 9.1510 9.6684 9.6684 11.6298 11.6298 12.0226 12.0226 13.3526 13.3526 13.8021 13.8021 k = 0.1771-0.1022 0.1446 ( 8776 PWs) bands (ev): -37.2633 -37.2633 -36.8529 -36.8529 -14.2519 -14.2519 -14.2508 -14.2508 -11.2987 -11.2987 -11.2764 -11.2764 -11.2743 -11.2743 -1.7831 -1.7831 4.0612 4.0612 4.1867 4.1867 4.6761 4.6761 5.6163 5.6163 5.7556 5.7556 7.9137 7.9137 9.0613 9.0613 9.5490 9.5490 11.6415 11.6415 11.9883 11.9883 13.3715 13.3715 13.8752 13.8752 k = 0.1875-0.1083 0.1531 ( 8772 PWs) bands (ev): -37.2633 -37.2633 -36.8529 -36.8529 -14.2518 -14.2518 -14.2508 -14.2508 -11.2985 -11.2985 -11.2763 -11.2763 -11.2742 -11.2742 -1.7583 -1.7583 4.0542 4.0542 4.1942 4.1942 4.6746 4.6746 5.6090 5.6090 5.7569 5.7569 7.8334 7.8334 8.9697 8.9697 9.4314 9.4314 11.6475 11.6475 11.9518 11.9518 13.3941 13.3941 13.9625 13.9625 k = 0.1979-0.1143 0.1616 ( 8772 PWs) bands (ev): -37.2633 -37.2633 -36.8529 -36.8529 -14.2518 -14.2518 -14.2507 -14.2507 -11.2984 -11.2984 -11.2763 -11.2763 -11.2741 -11.2741 -1.7324 -1.7324 4.0465 4.0465 4.2021 4.2021 4.6732 4.6732 5.6023 5.6023 5.7585 5.7585 7.7527 7.7527 8.8769 8.8769 9.3159 9.3159 11.6472 11.6472 11.9136 11.9136 13.4248 13.4248 14.0603 14.0603 k = 0.2083-0.1203 0.1701 ( 8792 PWs) bands (ev): -37.2633 -37.2633 -36.8529 -36.8529 -14.2518 -14.2518 -14.2506 -14.2506 -11.2982 -11.2982 -11.2763 -11.2763 -11.2739 -11.2739 -1.7056 -1.7056 4.0379 4.0379 4.2105 4.2105 4.6721 4.6721 5.5965 5.5965 5.7603 5.7603 7.6717 7.6717 8.7834 8.7834 9.2024 9.2024 11.6403 11.6403 11.8750 11.8750 13.4654 13.4654 14.1662 14.1662 k = 0.2188-0.1263 0.1786 ( 8776 PWs) bands (ev): -37.2632 -37.2632 -36.8529 -36.8529 -14.2518 -14.2518 -14.2506 -14.2506 -11.2980 -11.2980 -11.2762 -11.2762 -11.2738 -11.2738 -1.6779 -1.6779 4.0284 4.0284 4.2193 4.2193 4.6711 4.6711 5.5915 5.5915 5.7624 5.7624 7.5908 7.5908 8.6894 8.6894 9.0912 9.0912 11.6264 11.6264 11.8373 11.8373 13.5162 13.5162 14.2789 14.2789 k = 0.2292-0.1323 0.1871 ( 8772 PWs) bands (ev): -37.2632 -37.2632 -36.8529 -36.8529 -14.2517 -14.2517 -14.2505 -14.2505 -11.2978 -11.2978 -11.2762 -11.2762 -11.2736 -11.2736 -1.6495 -1.6495 4.0180 4.0180 4.2285 4.2285 4.6703 4.6703 5.5876 5.5876 5.7649 5.7649 7.5101 7.5101 8.5953 8.5953 8.9822 8.9822 11.6052 11.6052 11.8023 11.8023 13.5768 13.5768 14.3975 14.3975 k = 0.2396-0.1383 0.1956 ( 8768 PWs) bands (ev): -37.2632 -37.2632 -36.8529 -36.8529 -14.2517 -14.2517 -14.2504 -14.2504 -11.2977 -11.2977 -11.2762 -11.2762 -11.2735 -11.2735 -1.6204 -1.6204 4.0067 4.0067 4.2382 4.2382 4.6696 4.6696 5.5849 5.5849 5.7678 5.7678 7.4297 7.4297 8.5015 8.5015 8.8756 8.8756 11.5766 11.5766 11.7712 11.7712 13.6462 13.6462 14.5214 14.5214 k = 0.2500-0.1443 0.2041 ( 8740 PWs) bands (ev): -37.2632 -37.2632 -36.8529 -36.8529 -14.2516 -14.2516 -14.2504 -14.2504 -11.2975 -11.2975 -11.2761 -11.2761 -11.2734 -11.2734 -1.5908 -1.5908 3.9944 3.9944 4.2482 4.2482 4.6691 4.6691 5.5835 5.5835 5.7712 5.7712 7.3500 7.3500 8.4081 8.4081 8.7715 8.7715 11.5416 11.5416 11.7443 11.7443 13.7234 13.7234 14.6499 14.6499 k = 0.2604-0.1504 0.2126 ( 8776 PWs) bands (ev): -37.2632 -37.2632 -36.8530 -36.8530 -14.2516 -14.2516 -14.2503 -14.2503 -11.2973 -11.2973 -11.2761 -11.2761 -11.2732 -11.2732 -1.5607 -1.5607 3.9812 3.9812 4.2587 4.2587 4.6687 4.6687 5.5835 5.5835 5.7749 5.7749 7.2712 7.2712 8.3155 8.3155 8.6699 8.6699 11.5019 11.5019 11.7212 11.7212 13.8074 13.8074 14.7812 14.7812 k = 0.2708-0.1564 0.2211 ( 8788 PWs) bands (ev): -37.2632 -37.2632 -36.8530 -36.8530 -14.2516 -14.2516 -14.2503 -14.2503 -11.2971 -11.2971 -11.2760 -11.2760 -11.2731 -11.2731 -1.5302 -1.5302 3.9671 3.9671 4.2695 4.2695 4.6683 4.6683 5.5851 5.5851 5.7792 5.7792 7.1934 7.1934 8.2238 8.2238 8.5710 8.5710 11.4591 11.4591 11.7011 11.7011 13.8973 13.8973 14.9046 14.9046 k = 0.2812-0.1624 0.2296 ( 8752 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2515 -14.2515 -14.2502 -14.2502 -11.2970 -11.2970 -11.2759 -11.2759 -11.2729 -11.2729 -1.4995 -1.4995 3.9521 3.9521 4.2808 4.2808 4.6680 4.6680 5.5882 5.5882 5.7840 5.7840 7.1169 7.1169 8.1333 8.1333 8.4749 8.4749 11.4149 11.4149 11.6830 11.6830 13.9923 13.9923 15.0200 15.0200 k = 0.2917-0.1684 0.2381 ( 8760 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2515 -14.2515 -14.2501 -14.2501 -11.2968 -11.2968 -11.2759 -11.2759 -11.2728 -11.2728 -1.4688 -1.4688 3.9363 3.9363 4.2924 4.2924 4.6677 4.6677 5.5931 5.5931 5.7893 5.7893 7.0419 7.0419 8.0441 8.0441 8.3816 8.3816 11.3706 11.3706 11.6665 11.6665 14.0915 14.0915 15.1362 15.1362 k = 0.3021-0.1744 0.2467 ( 8760 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2515 -14.2515 -14.2501 -14.2501 -11.2967 -11.2967 -11.2758 -11.2758 -11.2727 -11.2727 -1.4380 -1.4380 3.9198 3.9198 4.3043 4.3043 4.6673 4.6673 5.5997 5.5997 5.7952 5.7952 6.9687 6.9687 7.9564 7.9564 8.2913 8.2913 11.3268 11.3268 11.6512 11.6512 14.1945 14.1945 15.2544 15.2544 k = 0.3125-0.1804 0.2552 ( 8768 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2514 -14.2514 -14.2500 -14.2500 -11.2965 -11.2965 -11.2758 -11.2758 -11.2725 -11.2725 -1.4074 -1.4074 3.9027 3.9027 4.3166 4.3166 4.6667 4.6667 5.6080 5.6080 5.8018 5.8018 6.8973 6.8973 7.8703 7.8703 8.2041 8.2041 11.2843 11.2843 11.6370 11.6370 14.3006 14.3006 15.3748 15.3748 k = 0.3229-0.1864 0.2637 ( 8760 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2514 -14.2514 -14.2499 -14.2499 -11.2964 -11.2964 -11.2757 -11.2757 -11.2724 -11.2724 -1.3772 -1.3772 3.8851 3.8851 4.3292 4.3292 4.6660 4.6660 5.6182 5.6182 5.8089 5.8089 6.8281 6.8281 7.7860 7.7860 8.1202 8.1202 11.2434 11.2434 11.6236 11.6236 14.4093 14.4093 15.4975 15.4975 k = 0.3333-0.1925 0.2722 ( 8748 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2514 -14.2514 -14.2499 -14.2499 -11.2962 -11.2962 -11.2757 -11.2757 -11.2723 -11.2723 -1.3474 -1.3474 3.8671 3.8671 4.3421 4.3421 4.6650 4.6650 5.6300 5.6300 5.8168 5.8168 6.7611 6.7611 7.7038 7.7038 8.0395 8.0395 11.2044 11.2044 11.6111 11.6111 14.5203 14.5203 15.6224 15.6225 k = 0.3438-0.1985 0.2807 ( 8748 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2513 -14.2513 -14.2498 -14.2498 -11.2961 -11.2961 -11.2756 -11.2756 -11.2721 -11.2721 -1.3183 -1.3183 3.8488 3.8488 4.3553 4.3553 4.6636 4.6636 5.6436 5.6436 5.8254 5.8254 6.6966 6.6966 7.6237 7.6237 7.9624 7.9624 11.1676 11.1676 11.5994 11.5994 14.6330 14.6330 15.7496 15.7496 k = 0.3542-0.2045 0.2892 ( 8760 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2513 -14.2513 -14.2498 -14.2498 -11.2960 -11.2960 -11.2756 -11.2756 -11.2720 -11.2720 -1.2900 -1.2900 3.8305 3.8305 4.3687 4.3687 4.6618 4.6618 5.6588 5.6588 5.8347 5.8347 6.6346 6.6346 7.5460 7.5460 7.8889 7.8889 11.1330 11.1330 11.5885 11.5885 14.7471 14.7471 15.8788 15.8788 k = 0.3646-0.2105 0.2977 ( 8764 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2513 -14.2513 -14.2497 -14.2497 -11.2959 -11.2959 -11.2755 -11.2755 -11.2719 -11.2719 -1.2626 -1.2626 3.8122 3.8122 4.3823 4.3823 4.6595 4.6595 5.6754 5.6754 5.8448 5.8448 6.5754 6.5754 7.4708 7.4708 7.8192 7.8192 11.1007 11.1007 11.5784 11.5784 14.8620 14.8620 16.0101 16.0101 k = 0.3750-0.2165 0.3062 ( 8756 PWs) bands (ev): -37.2630 -37.2630 -36.8530 -36.8530 -14.2512 -14.2512 -14.2497 -14.2497 -11.2957 -11.2957 -11.2755 -11.2755 -11.2718 -11.2718 -1.2364 -1.2364 3.7942 3.7942 4.3961 4.3961 4.6568 4.6568 5.6934 5.6934 5.8557 5.8557 6.5191 6.5191 7.3984 7.3984 7.7534 7.7534 11.0709 11.0709 11.5690 11.5690 14.9772 14.9772 16.1431 16.1431 k = 0.3854-0.2225 0.3147 ( 8776 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2512 -14.2512 -14.2497 -14.2497 -11.2957 -11.2957 -11.2754 -11.2754 -11.2716 -11.2716 -1.2115 -1.2115 3.7767 3.7767 4.4100 4.4100 4.6534 4.6534 5.7126 5.7126 5.8675 5.8675 6.4656 6.4656 7.3291 7.3291 7.6918 7.6918 11.0435 11.0435 11.5604 11.5604 15.0922 15.0922 16.2778 16.2778 k = 0.3958-0.2285 0.3232 ( 8776 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2512 -14.2512 -14.2496 -14.2496 -11.2956 -11.2956 -11.2754 -11.2754 -11.2715 -11.2715 -1.1880 -1.1880 3.7599 3.7599 4.4240 4.4240 4.6493 4.6493 5.7326 5.7326 5.8800 5.8800 6.4150 6.4150 7.2631 7.2631 7.6346 7.6346 11.0185 11.0185 11.5525 11.5525 15.2062 15.2062 16.4138 16.4138 k = 0.4062-0.2345 0.3317 ( 8780 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2511 -14.2511 -14.2496 -14.2496 -11.2955 -11.2955 -11.2754 -11.2754 -11.2714 -11.2714 -1.1662 -1.1662 3.7439 3.7439 4.4380 4.4380 4.6446 4.6446 5.7533 5.7533 5.8934 5.8934 6.3674 6.3674 7.2007 7.2007 7.5819 7.5819 10.9959 10.9959 11.5454 11.5454 15.3183 15.3183 16.5508 16.5508 k = 0.4167-0.2406 0.3402 ( 8772 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2511 -14.2511 -14.2496 -14.2496 -11.2954 -11.2954 -11.2753 -11.2753 -11.2714 -11.2714 -1.1462 -1.1462 3.7290 3.7290 4.4519 4.4519 4.6392 4.6392 5.7742 5.7742 5.9077 5.9077 6.3228 6.3228 7.1425 7.1425 7.5340 7.5340 10.9758 10.9758 11.5391 11.5391 15.4275 15.4275 16.6880 16.6880 k = 0.4271-0.2466 0.3487 ( 8780 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2511 -14.2511 -14.2495 -14.2495 -11.2953 -11.2953 -11.2753 -11.2753 -11.2713 -11.2713 -1.1282 -1.1282 3.7153 3.7153 4.4658 4.4658 4.6330 4.6330 5.7949 5.7949 5.9228 5.9228 6.2811 6.2811 7.0888 7.0888 7.4910 7.4910 10.9581 10.9581 11.5335 11.5335 15.5325 15.5325 16.8248 16.8248 k = 0.4375-0.2526 0.3572 ( 8792 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2511 -14.2511 -14.2495 -14.2495 -11.2953 -11.2953 -11.2753 -11.2753 -11.2712 -11.2712 -1.1122 -1.1122 3.7030 3.7030 4.4794 4.4794 4.6262 4.6262 5.8149 5.8149 5.9387 5.9387 6.2423 6.2423 7.0402 7.0402 7.4532 7.4532 10.9428 10.9428 11.5286 11.5286 15.6316 15.6316 16.9598 16.9598 k = 0.4479-0.2586 0.3657 ( 8792 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2511 -14.2511 -14.2495 -14.2495 -11.2952 -11.2952 -11.2753 -11.2753 -11.2711 -11.2711 -1.0985 -1.0985 3.6923 3.6923 4.4928 4.4928 4.6188 4.6188 5.8338 5.8338 5.9553 5.9553 6.2063 6.2063 6.9973 6.9973 7.4208 7.4208 10.9299 10.9299 11.5245 11.5245 15.7227 15.7227 17.0911 17.0911 k = 0.4583-0.2646 0.3742 ( 8776 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2510 -14.2510 -14.2495 -14.2495 -11.2952 -11.2952 -11.2752 -11.2752 -11.2711 -11.2711 -1.0871 -1.0871 3.6834 3.6834 4.5056 4.5056 4.6108 4.6108 5.8508 5.8508 5.9726 5.9726 6.1732 6.1732 6.9608 6.9608 7.3940 7.3940 10.9194 10.9194 11.5212 11.5212 15.8033 15.8033 17.2156 17.2156 k = 0.4688-0.2706 0.3827 ( 8768 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2510 -14.2510 -14.2495 -14.2495 -11.2952 -11.2952 -11.2752 -11.2752 -11.2710 -11.2710 -1.0781 -1.0781 3.6763 3.6763 4.5176 4.5176 4.6027 4.6027 5.8652 5.8652 5.9905 5.9905 6.1428 6.1428 6.9315 6.9315 7.3730 7.3730 10.9112 10.9112 11.5186 11.5186 15.8707 15.8707 17.3282 17.3282 k = 0.4792-0.2766 0.3912 ( 8760 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2510 -14.2510 -14.2495 -14.2495 -11.2951 -11.2951 -11.2752 -11.2752 -11.2710 -11.2710 -1.0716 -1.0716 3.6711 3.6711 4.5282 4.5282 4.5948 4.5948 5.8762 5.8762 6.0087 6.0087 6.1157 6.1157 6.9099 6.9099 7.3579 7.3579 10.9054 10.9054 11.5167 11.5167 15.9218 15.9218 17.4212 17.4212 k = 0.4896-0.2827 0.3997 ( 8744 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2510 -14.2510 -14.2494 -14.2494 -11.2951 -11.2951 -11.2752 -11.2752 -11.2710 -11.2710 -1.0677 -1.0677 3.6680 3.6680 4.5362 4.5362 4.5885 4.5885 5.8831 5.8831 6.0258 6.0258 6.0932 6.0932 6.8967 6.8967 7.3487 7.3487 10.9019 10.9019 11.5156 11.5156 15.9538 15.9538 17.4841 17.4841 k = 0.5000-0.2887 0.4082 ( 8744 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2510 -14.2510 -14.2494 -14.2494 -11.2951 -11.2951 -11.2752 -11.2752 -11.2710 -11.2710 -1.0664 -1.0664 3.6670 3.6670 4.5394 4.5394 4.5858 4.5858 5.8855 5.8855 6.0347 6.0347 6.0824 6.0824 6.8922 6.8922 7.3457 7.3457 10.9007 10.9007 11.5152 11.5152 15.9648 15.9648 17.5065 17.5065 k = 0.5000-0.2887 0.4082 ( 8744 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2510 -14.2510 -14.2494 -14.2494 -11.2951 -11.2951 -11.2752 -11.2752 -11.2710 -11.2710 -1.0664 -1.0664 3.6670 3.6670 4.5394 4.5394 4.5858 4.5858 5.8855 5.8855 6.0347 6.0347 6.0824 6.0824 6.8922 6.8922 7.3457 7.3457 10.9007 10.9007 11.5152 11.5152 15.9648 15.9648 17.5065 17.5065 k = 0.5000-0.2766 0.4168 ( 8744 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2510 -14.2510 -14.2495 -14.2494 -11.2951 -11.2951 -11.2753 -11.2751 -11.2710 -11.2710 -1.0674 -1.0655 3.6621 3.6740 4.5335 4.5447 4.5750 4.5968 5.8715 5.8992 6.0278 6.0346 6.0661 6.0992 6.8901 6.8965 7.3401 7.3516 10.8966 10.9127 11.5074 11.5306 15.9422 15.9762 17.4803 17.5020 k = 0.5000-0.2646 0.4253 ( 8760 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2511 -14.2509 -14.2496 -14.2493 -11.2952 -11.2950 -11.2754 -11.2750 -11.2711 -11.2710 -1.0684 -1.0646 3.6594 3.6832 4.5270 4.5493 4.5642 4.6079 5.8567 5.9129 6.0050 6.0327 6.0602 6.1104 6.8893 6.9034 7.3350 7.3575 10.9003 10.9324 11.5070 11.5534 15.9091 15.9752 17.4220 17.4730 k = 0.5000-0.2526 0.4338 ( 8776 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2511 -14.2509 -14.2497 -14.2492 -11.2952 -11.2950 -11.2755 -11.2749 -11.2711 -11.2710 -1.0695 -1.0637 3.6588 3.6946 4.5202 4.5533 4.5533 4.6192 5.8398 5.9268 5.9716 6.0306 6.0615 6.1148 6.8888 6.9126 7.3311 7.3636 10.9120 10.9596 11.5140 11.5835 15.8660 15.9605 17.3357 17.4274 k = 0.5000-0.2406 0.4423 ( 8774 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2512 -14.2508 -14.2497 -14.2492 -11.2952 -11.2949 -11.2755 -11.2748 -11.2712 -11.2710 -1.0706 -1.0629 3.6603 3.7082 4.5131 4.5420 4.5566 4.6307 5.8187 5.9356 5.9407 6.0285 6.0652 6.1126 6.8873 6.9236 7.3289 7.3699 10.9314 10.9941 11.5285 11.6209 15.8128 15.9302 17.2291 17.3728 k = 0.5000-0.2285 0.4508 ( 8760 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2512 -14.2508 -14.2498 -14.2491 -11.2952 -11.2949 -11.2756 -11.2747 -11.2713 -11.2710 -1.0716 -1.0621 3.6639 3.7240 4.5059 4.5302 4.5592 4.6424 5.7896 5.9030 5.9544 6.0269 6.0700 6.1046 6.8837 6.9352 7.3288 7.3767 10.9585 11.0356 11.5502 11.6653 15.7493 15.8832 17.1101 17.3153 k = 0.5000-0.2165 0.4593 ( 8772 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2512 -14.2507 -14.2499 -14.2491 -11.2952 -11.2948 -11.2757 -11.2747 -11.2713 -11.2710 -1.0727 -1.0613 3.6695 3.7419 4.4986 4.5178 4.5612 4.6543 5.7499 5.8776 5.9675 6.0261 6.0757 6.0919 6.8771 6.9460 7.3311 7.3845 10.9932 11.0839 11.5790 11.7166 15.6751 15.8185 16.9849 17.2574 k = 0.5000-0.2045 0.4678 ( 8770 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2513 -14.2507 -14.2500 -14.2490 -11.2952 -11.2947 -11.2757 -11.2746 -11.2714 -11.2710 -1.0738 -1.0607 3.6771 3.7620 4.4912 4.5046 4.5626 4.6661 5.7008 5.8593 5.9785 6.0271 6.0762 6.0820 6.8670 6.9550 7.3361 7.3936 11.0350 11.1385 11.6147 11.7746 15.5902 15.7365 16.8577 17.1937 k = 0.5000-0.1925 0.4763 ( 8766 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2513 -14.2506 -14.2501 -14.2490 -11.2952 -11.2946 -11.2758 -11.2745 -11.2715 -11.2711 -1.0749 -1.0600 3.6866 3.7843 4.4832 4.4913 4.5633 4.6778 5.6455 5.8458 5.9851 6.0305 6.0602 6.0890 6.8531 6.9610 7.3436 7.4045 11.0838 11.1991 11.6569 11.8391 15.4947 15.6385 16.7308 17.1031 k = 0.5000-0.1804 0.4848 ( 8766 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2513 -14.2506 -14.2501 -14.2489 -11.2952 -11.2946 -11.2759 -11.2744 -11.2716 -11.2711 -1.0760 -1.0594 3.6979 3.8087 4.4718 4.4806 4.5634 4.6894 5.5865 5.8352 5.9849 6.0309 6.0528 6.0967 6.8358 6.9633 7.3531 7.4171 11.1391 11.2654 11.7054 11.9095 15.3891 15.5268 16.6048 16.9737 k = 0.5000-0.1684 0.4933 ( 8768 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2513 -14.2505 -14.2502 -14.2489 -11.2952 -11.2945 -11.2759 -11.2743 -11.2717 -11.2712 -1.0770 -1.0589 3.7110 3.8352 4.4562 4.4732 4.5629 4.7006 5.5255 5.8264 5.9762 6.0225 6.0621 6.1050 6.8153 6.9615 7.3644 7.4315 11.2006 11.3368 11.7596 11.9857 15.2744 15.4041 16.4793 16.8227 k = 0.5000-0.1564 0.5018 ( 8764 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2513 -14.2505 -14.2503 -14.2488 -11.2952 -11.2944 -11.2760 -11.2742 -11.2718 -11.2712 -1.0780 -1.0584 3.7258 3.8637 4.4386 4.4670 4.5617 4.7114 5.4636 5.8188 5.9602 6.0157 6.0773 6.1140 6.7922 6.9559 7.3767 7.4472 11.2676 11.4130 11.8189 12.0672 15.1524 15.2730 16.3533 16.6626 k = 0.5000-0.1443 0.5103 ( 8760 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2514 -14.2504 -14.2504 -14.2488 -11.2951 -11.2943 -11.2760 -11.2741 -11.2719 -11.2713 -1.0790 -1.0580 3.7422 3.8942 4.4196 4.4613 4.5597 4.7215 5.4019 5.8123 5.9401 6.0116 6.0945 6.1238 6.7669 6.9466 7.3897 7.4639 11.3399 11.4934 11.8828 12.1533 15.0246 15.1361 16.2257 16.4987 k = 0.5000-0.1323 0.5188 ( 8772 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2514 -14.2505 -14.2504 -14.2488 -11.2951 -11.2943 -11.2761 -11.2740 -11.2720 -11.2714 -1.0799 -1.0576 3.7600 3.9266 4.3994 4.4560 4.5567 4.7308 5.3410 5.8066 5.9187 6.0089 6.1126 6.1342 6.7402 6.9343 7.4028 7.4810 11.4166 11.5774 11.9504 12.2436 14.8933 14.9958 16.0964 16.3338 k = 0.5000-0.1203 0.5273 ( 8766 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2514 -14.2505 -14.2503 -14.2487 -11.2951 -11.2942 -11.2761 -11.2739 -11.2721 -11.2714 -1.0808 -1.0573 3.7792 3.9609 4.3781 4.4513 4.5527 4.7391 5.2819 5.8016 5.8975 6.0069 6.1312 6.1453 6.7125 6.9195 7.4157 7.4980 11.4971 11.6644 12.0206 12.3372 14.7604 14.8541 15.9659 16.1699 k = 0.5000-0.1083 0.5358 ( 8762 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2514 -14.2506 -14.2503 -14.2487 -11.2951 -11.2941 -11.2761 -11.2738 -11.2722 -11.2715 -1.0816 -1.0569 3.7996 3.9968 4.3558 4.4469 4.5473 4.7461 5.2253 5.7972 5.8772 6.0052 6.1500 6.1571 6.6844 6.9029 7.4281 7.5144 11.5807 11.7536 12.0922 12.4332 14.6281 14.7130 15.8355 16.0089 k = 0.5000-0.0962 0.5443 ( 8762 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2514 -14.2507 -14.2503 -14.2487 -11.2950 -11.2940 -11.2761 -11.2738 -11.2723 -11.2716 -1.0824 -1.0567 3.8209 4.0344 4.3327 4.4430 4.5401 4.7516 5.1721 5.7933 5.8584 6.0039 6.1686 6.1695 6.6562 6.8852 7.4397 7.5299 11.6662 11.8441 12.1639 12.5304 14.4984 14.5742 15.7074 15.8526 k = 0.5000-0.0842 0.5528 ( 8758 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2513 -14.2507 -14.2502 -14.2486 -11.2950 -11.2940 -11.2762 -11.2737 -11.2724 -11.2716 -1.0831 -1.0564 3.8429 4.0734 4.3091 4.4396 4.5307 4.7552 5.1234 5.7900 5.8413 6.0027 6.1822 6.1867 6.6287 6.8672 7.4503 7.5442 11.7525 11.9345 12.2337 12.6275 14.3735 14.4396 15.5837 15.7030 k = 0.5000-0.0722 0.5613 ( 8766 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2513 -14.2508 -14.2502 -14.2486 -11.2950 -11.2939 -11.2762 -11.2736 -11.2725 -11.2717 -1.0837 -1.0562 3.8652 4.1136 4.2852 4.4366 4.5185 4.7568 5.0802 5.7871 5.8261 6.0017 6.1953 6.2038 6.6023 6.8494 7.4597 7.5569 11.8380 12.0233 12.2996 12.7224 14.2560 14.3112 15.4673 15.5623 k = 0.5000-0.0601 0.5698 ( 8758 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2513 -14.2509 -14.2502 -14.2486 -11.2950 -11.2939 -11.2762 -11.2735 -11.2726 -11.2718 -1.0842 -1.0561 3.8874 4.1548 4.2617 4.4341 4.5028 4.7564 5.0436 5.7848 5.8131 6.0008 6.2082 6.2197 6.5775 6.8326 7.4678 7.5679 11.9207 12.1083 12.3593 12.8130 14.1485 14.1916 15.3609 15.4334 k = 0.5000-0.0481 0.5784 ( 8760 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2513 -14.2509 -14.2502 -14.2486 -11.2950 -11.2938 -11.2762 -11.2735 -11.2726 -11.2718 -1.0846 -1.0560 3.9087 4.1966 4.2393 4.4321 4.4831 4.7543 5.0143 5.7828 5.8024 6.0002 6.2205 6.2337 6.5552 6.8175 7.4746 7.5771 11.9979 12.1867 12.4103 12.8961 14.0539 14.0838 15.2677 15.3193 k = 0.5000-0.0361 0.5869 ( 8764 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2513 -14.2510 -14.2502 -14.2486 -11.2949 -11.2938 -11.2762 -11.2734 -11.2727 -11.2719 -1.0850 -1.0559 3.9282 4.2189 4.2387 4.4304 4.4588 4.7510 4.9924 5.7814 5.7940 5.9996 6.2316 6.2454 6.5361 6.8048 7.4799 7.5843 12.0660 12.2549 12.4505 12.9682 13.9755 13.9915 15.1906 15.2240 k = 0.5000-0.0241 0.5954 ( 8760 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2512 -14.2510 -14.2501 -14.2486 -11.2949 -11.2938 -11.2762 -11.2734 -11.2727 -11.2719 -1.0852 -1.0558 3.9444 4.2021 4.2804 4.4293 4.4299 4.7477 4.9776 5.7803 5.7879 5.9993 6.2406 6.2542 6.5213 6.7951 7.4837 7.5895 12.1206 12.3086 12.4787 13.0248 13.9166 13.9197 15.1328 15.1516 k = 0.5000-0.0120 0.6039 ( 8760 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2512 -14.2511 -14.2501 -14.2486 -11.2949 -11.2938 -11.2762 -11.2734 -11.2727 -11.2719 -1.0854 -1.0557 3.9554 4.1907 4.3213 4.3969 4.4286 4.7452 4.9691 5.7797 5.7843 5.9990 6.2466 6.2597 6.5119 6.7891 7.4860 7.5927 12.1564 12.3433 12.4949 13.0613 13.8735 13.8800 15.0969 15.1061 k = 0.5000 0.0000 0.6124 ( 8760 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2512 -14.2511 -14.2501 -14.2486 -11.2949 -11.2938 -11.2762 -11.2734 -11.2727 -11.2719 -1.0854 -1.0557 3.9593 4.1866 4.3600 4.3607 4.4284 4.7443 4.9664 5.7795 5.7830 5.9990 6.2487 6.2615 6.5086 6.7870 7.4868 7.5937 12.1690 12.3553 12.5001 13.0741 13.8575 13.8676 15.0847 15.0906 k = 0.5000 0.0000 0.6124 ( 8760 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2512 -14.2511 -14.2501 -14.2486 -11.2949 -11.2938 -11.2762 -11.2734 -11.2727 -11.2719 -1.0854 -1.0557 3.9593 4.1866 4.3600 4.3607 4.4284 4.7443 4.9664 5.7795 5.7830 5.9990 6.2487 6.2615 6.5086 6.7870 7.4868 7.5937 12.1690 12.3553 12.5001 13.0741 13.8575 13.8676 15.0847 15.0906 k = 0.4926 0.0127 0.6124 ( 8760 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2512 -14.2511 -14.2501 -14.2486 -11.2949 -11.2938 -11.2762 -11.2734 -11.2727 -11.2719 -1.0857 -1.0560 3.9574 4.1886 4.3331 4.3863 4.4289 4.7449 4.9674 5.7737 5.7885 5.9975 6.2400 6.2673 6.5124 6.7901 7.4884 7.5954 12.1594 12.3332 12.5132 13.0700 13.8472 13.8922 15.0822 15.1113 k = 0.4853 0.0255 0.6124 ( 8756 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2512 -14.2511 -14.2501 -14.2486 -11.2949 -11.2938 -11.2762 -11.2734 -11.2727 -11.2719 -1.0864 -1.0569 3.9517 4.1944 4.3060 4.4100 4.4304 4.7466 4.9704 5.7666 5.7943 5.9930 6.2256 6.2730 6.5239 6.7986 7.4934 7.6004 12.1294 12.2759 12.5443 13.0609 13.8515 13.9316 15.0948 15.1504 k = 0.4779 0.0382 0.6124 ( 8756 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2512 -14.2510 -14.2501 -14.2486 -11.2949 -11.2938 -11.2762 -11.2734 -11.2728 -11.2719 -1.0876 -1.0583 3.9430 4.2027 4.2805 4.4270 4.4367 4.7491 4.9755 5.7594 5.7991 5.9858 6.2094 6.2751 6.5426 6.8115 7.5023 7.6088 12.0785 12.1980 12.5807 13.0512 13.8735 13.9813 15.1229 15.2029 k = 0.4706 0.0509 0.6124 ( 8752 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2513 -14.2510 -14.2501 -14.2486 -11.2950 -11.2938 -11.2762 -11.2734 -11.2728 -11.2718 -1.0890 -1.0600 3.9321 4.2098 4.2597 4.4303 4.4543 4.7519 4.9829 5.7516 5.8030 5.9767 6.1920 6.2740 6.5671 6.8274 7.5151 7.6204 12.0090 12.1073 12.6171 13.0442 13.9108 14.0403 15.1641 15.2670 k = 0.4632 0.0637 0.6124 ( 8758 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2513 -14.2510 -14.2501 -14.2486 -11.2950 -11.2938 -11.2763 -11.2734 -11.2728 -11.2717 -1.0907 -1.0620 3.9198 4.2059 4.2532 4.4316 4.4717 4.7545 4.9929 5.7427 5.8061 5.9665 6.1739 6.2708 6.5959 6.8450 7.5321 7.6351 11.9251 12.0082 12.6512 13.0409 13.9605 14.1081 15.2159 15.3410 k = 0.4559 0.0764 0.6124 ( 8756 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2513 -14.2509 -14.2501 -14.2486 -11.2950 -11.2938 -11.2763 -11.2734 -11.2728 -11.2717 -1.0926 -1.0642 3.9069 4.1889 4.2624 4.4326 4.4871 4.7564 5.0055 5.7324 5.8084 5.9561 6.1554 6.2664 6.6271 6.8630 7.5532 7.6528 11.8317 11.9039 12.6822 13.0409 14.0203 14.1836 15.2756 15.4234 k = 0.4485 0.0891 0.6124 ( 8747 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2514 -14.2509 -14.2501 -14.2487 -11.2950 -11.2939 -11.2763 -11.2735 -11.2729 -11.2716 -1.0945 -1.0665 3.8939 4.1687 4.2773 4.4332 4.5006 4.7570 5.0208 5.7200 5.8099 5.9467 6.1368 6.2614 6.6593 6.8805 7.5782 7.6730 11.7333 11.7974 12.7099 13.0433 14.0878 14.2659 15.3399 15.5131 k = 0.4412 0.1019 0.6124 ( 8751 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2514 -14.2509 -14.2501 -14.2487 -11.2950 -11.2939 -11.2763 -11.2735 -11.2729 -11.2715 -1.0964 -1.0689 3.8811 4.1488 4.2938 4.4336 4.5124 4.7562 5.0387 5.7053 5.8110 5.9389 6.1182 6.2564 6.6913 6.8965 7.6066 7.6955 11.6339 11.6915 12.7342 13.0470 14.1613 14.3543 15.4050 15.6089 k = 0.4338 0.1146 0.6124 ( 8745 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2514 -14.2508 -14.2501 -14.2487 -11.2951 -11.2939 -11.2763 -11.2735 -11.2729 -11.2715 -1.0984 -1.0712 3.8691 4.1303 4.3107 4.4337 4.5229 4.7537 5.0586 5.6883 5.8116 5.9335 6.0999 6.2517 6.7221 6.9107 7.6377 7.7194 11.5366 11.5886 12.7551 13.0512 14.2391 14.4476 15.4662 15.7097 k = 0.4265 0.1274 0.6124 ( 8743 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2514 -14.2508 -14.2501 -14.2487 -11.2951 -11.2939 -11.2764 -11.2735 -11.2729 -11.2714 -1.1002 -1.0734 3.8580 4.1136 4.3273 4.4334 4.5322 4.7499 5.0802 5.6693 5.8119 5.9305 6.0820 6.2475 6.7508 6.9227 7.6703 7.7441 11.4441 11.4911 12.7729 13.0554 14.3195 14.5447 15.5174 15.8140 k = 0.4191 0.1401 0.6124 ( 8743 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2514 -14.2508 -14.2501 -14.2488 -11.2951 -11.2939 -11.2764 -11.2735 -11.2729 -11.2713 -1.1019 -1.0755 3.8481 4.0989 4.3432 4.4327 4.5407 4.7449 5.1025 5.6490 5.8120 5.9300 6.0647 6.2437 6.7768 6.9323 7.7033 7.7685 11.3588 11.4013 12.7878 13.0593 14.4008 14.6440 15.5531 15.9197 k = 0.4118 0.1528 0.6124 ( 8749 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2515 -14.2507 -14.2501 -14.2488 -11.2951 -11.2940 -11.2764 -11.2736 -11.2729 -11.2713 -1.1033 -1.0773 3.8394 4.0863 4.3580 4.4315 4.5483 4.7391 5.1247 5.6283 5.8120 5.9318 6.0482 6.2406 6.7998 6.9398 7.7352 7.7915 11.2827 11.3211 12.7999 13.0627 14.4807 14.7433 15.5706 16.0192 k = 0.4044 0.1656 0.6124 ( 8753 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2515 -14.2507 -14.2501 -14.2488 -11.2952 -11.2940 -11.2764 -11.2736 -11.2729 -11.2713 -1.1046 -1.0789 3.8322 4.0758 4.3714 4.4296 4.5552 4.7331 5.1457 5.6082 5.8120 5.9354 6.0327 6.2380 6.8192 6.9452 7.7647 7.8119 11.2177 11.2525 12.8095 13.0655 14.5568 14.8395 15.5728 16.0579 k = 0.3971 0.1783 0.6124 ( 8747 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2515 -14.2507 -14.2501 -14.2488 -11.2952 -11.2940 -11.2764 -11.2736 -11.2729 -11.2712 -1.1056 -1.0802 3.8265 4.0677 4.3832 4.4271 4.5611 4.7274 5.1644 5.5902 5.8120 5.9406 6.0184 6.2361 6.8348 6.9489 7.7901 7.8286 11.1653 11.1970 12.8168 13.0676 14.6254 14.9274 15.5685 15.9779 k = 0.3897 0.1910 0.6124 ( 8749 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2515 -14.2507 -14.2500 -14.2488 -11.2952 -11.2940 -11.2765 -11.2736 -11.2729 -11.2712 -1.1064 -1.0811 3.8223 4.0618 4.3933 4.4238 4.5657 4.7226 5.1793 5.5758 5.8120 5.9466 6.0059 6.2347 6.8463 6.9511 7.8101 7.8406 11.1270 11.1562 12.8220 13.0691 14.6816 14.9995 15.5698 15.8771 k = 0.3824 0.2038 0.6124 ( 8754 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2515 -14.2507 -14.2500 -14.2489 -11.2952 -11.2940 -11.2765 -11.2736 -11.2729 -11.2712 -1.1068 -1.0817 3.8198 4.0583 4.4011 4.4201 4.5687 4.7195 5.1890 5.5663 5.8120 5.9522 5.9964 6.2338 6.8534 6.9523 7.8232 7.8475 11.1036 11.1313 12.8250 13.0700 14.7194 15.0467 15.5849 15.7905 k = 0.3750 0.2165 0.6124 ( 8744 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2515 -14.2507 -14.2500 -14.2489 -11.2952 -11.2940 -11.2765 -11.2736 -11.2729 -11.2712 -1.1070 -1.0818 3.8190 4.0571 4.4047 4.4180 4.5698 4.7183 5.1924 5.5630 5.8119 5.9548 5.9926 6.2336 6.8558 6.9526 7.8278 7.8497 11.0957 11.1229 12.8260 13.0703 14.7329 15.0631 15.5995 15.7503 k = 0.3750 0.2165 0.6124 ( 8744 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2515 -14.2507 -14.2500 -14.2489 -11.2952 -11.2940 -11.2765 -11.2736 -11.2729 -11.2712 -1.1070 -1.0818 3.8190 4.0571 4.4047 4.4180 4.5698 4.7183 5.1924 5.5630 5.8119 5.9548 5.9926 6.2336 6.8558 6.9526 7.8278 7.8497 11.0957 11.1229 12.8260 13.0703 14.7329 15.0631 15.5995 15.7503 k = 0.3676 0.2123 0.6004 ( 8748 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2515 -14.2507 -14.2500 -14.2489 -11.2952 -11.2940 -11.2765 -11.2736 -11.2730 -11.2712 -1.1134 -1.0877 3.8372 4.0888 4.3941 4.4184 4.5628 4.7215 5.1380 5.5333 5.8114 5.9472 5.9844 6.2611 6.8483 6.9606 7.8927 7.9198 11.0979 11.1170 12.9592 13.2235 14.6529 14.9776 15.4784 15.6311 k = 0.3603 0.2080 0.5884 ( 8748 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2515 -14.2508 -14.2500 -14.2489 -11.2952 -11.2939 -11.2766 -11.2735 -11.2732 -11.2712 -1.1207 -1.0946 3.8553 4.1177 4.3832 4.4225 4.5548 4.7241 5.0870 5.5052 5.8136 5.9401 5.9769 6.2892 6.8422 6.9711 7.9604 7.9923 11.0989 11.1100 13.0872 13.3755 14.5785 14.8930 15.3603 15.5144 k = 0.3529 0.2038 0.5764 ( 8748 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2515 -14.2508 -14.2499 -14.2489 -11.2952 -11.2939 -11.2767 -11.2735 -11.2733 -11.2712 -1.1288 -1.1025 3.8732 4.1427 4.3720 4.4302 4.5466 4.7262 5.0400 5.4793 5.8183 5.9337 5.9700 6.3175 6.8380 6.9842 8.0309 8.0671 11.0989 11.1021 13.2068 13.5242 14.5114 14.8098 15.2456 15.4002 k = 0.3456 0.1995 0.5643 ( 8744 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2516 -14.2509 -14.2499 -14.2490 -11.2953 -11.2939 -11.2767 -11.2737 -11.2733 -11.2712 -1.1379 -1.1115 3.8906 4.1625 4.3605 4.4395 4.5409 4.7277 4.9975 5.4561 5.8253 5.9279 5.9639 6.3457 6.8366 7.0001 8.1037 8.1439 11.0933 11.0978 13.3144 13.6667 14.4539 14.7286 15.1344 15.2889 k = 0.3382 0.1953 0.5523 ( 8746 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2516 -14.2509 -14.2499 -14.2490 -11.2953 -11.2939 -11.2768 -11.2738 -11.2733 -11.2712 -1.1480 -1.1217 3.9074 4.1767 4.3489 4.4448 4.5438 4.7288 4.9597 5.4358 5.8341 5.9228 5.9590 6.3732 6.8385 7.0189 8.1788 8.2225 11.0835 11.0959 13.4056 13.8000 14.4085 14.6502 15.0271 15.1805 k = 0.3309 0.1910 0.5403 ( 8762 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2516 -14.2509 -14.2498 -14.2491 -11.2953 -11.2939 -11.2768 -11.2740 -11.2732 -11.2712 -1.1592 -1.1330 3.9234 4.1857 4.3372 4.4396 4.5615 4.7295 4.9267 5.4186 5.8441 5.9185 5.9561 6.3995 6.8448 7.0410 8.2559 8.3028 11.0729 11.0929 13.4764 13.9198 14.3778 14.5759 14.9240 15.0750 k = 0.3235 0.1868 0.5283 ( 8742 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8530 -14.2516 -14.2510 -14.2498 -14.2491 -11.2954 -11.2940 -11.2769 -11.2742 -11.2732 -11.2711 -1.1715 -1.1456 3.9385 4.1904 4.3255 4.4245 4.5924 4.7297 4.8984 5.4044 5.8539 5.9149 5.9568 6.4240 6.8564 7.0663 8.3348 8.3846 11.0614 11.0891 13.5235 14.0206 14.3632 14.5077 14.8259 14.9727 k = 0.3162 0.1825 0.5163 ( 8748 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8530 -14.2516 -14.2510 -14.2498 -14.2492 -11.2954 -11.2940 -11.2769 -11.2743 -11.2732 -11.2711 -1.1848 -1.1594 3.9526 4.1917 4.3141 4.4035 4.6320 4.7297 4.8745 5.3932 5.8613 5.9121 5.9632 6.4462 6.8739 7.0950 8.4153 8.4679 11.0491 11.0844 13.5466 14.0951 14.3636 14.4492 14.7339 14.8737 k = 0.3088 0.1783 0.5043 ( 8748 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8530 -14.2516 -14.2510 -14.2498 -14.2492 -11.2955 -11.2941 -11.2770 -11.2745 -11.2732 -11.2711 -1.1993 -1.1744 3.9655 4.1906 4.3031 4.3794 4.6769 4.7295 4.8543 5.3848 5.8647 5.9101 5.9772 6.4659 6.8981 7.1273 8.4974 8.5523 11.0359 11.0789 13.5486 14.1335 14.3748 14.4055 14.6502 14.7783 k = 0.3015 0.1741 0.4923 ( 8760 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8530 -14.2516 -14.2510 -14.2498 -14.2493 -11.2956 -11.2941 -11.2770 -11.2747 -11.2732 -11.2711 -1.2149 -1.1907 3.9772 4.1876 4.2927 4.3540 4.7248 4.7290 4.8377 5.3789 5.8637 5.9088 5.9991 6.4832 6.9292 7.1632 8.5807 8.6378 11.0220 11.0724 13.5346 14.1313 14.3754 14.3907 14.5797 14.6870 k = 0.2941 0.1698 0.4803 ( 8764 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8530 -14.2517 -14.2510 -14.2498 -14.2494 -11.2957 -11.2942 -11.2771 -11.2748 -11.2732 -11.2711 -1.2317 -1.2083 3.9877 4.1833 4.2829 4.3283 4.7284 4.7735 4.8252 5.3752 5.8595 5.9082 6.0282 6.4986 6.9671 7.2030 8.6652 8.7241 11.0073 11.0652 13.5097 14.0988 14.3418 14.4044 14.5289 14.6014 k = 0.2868 0.1656 0.4683 ( 8772 PWs) bands (ev): -37.2631 -37.2630 -36.8531 -36.8530 -14.2517 -14.2511 -14.2498 -14.2495 -11.2958 -11.2943 -11.2771 -11.2750 -11.2732 -11.2711 -1.2496 -1.2270 3.9970 4.1779 4.2739 4.3033 4.7277 4.8022 4.8361 5.3735 5.8530 5.9081 6.0634 6.5129 7.0115 7.2466 8.7506 8.8112 10.9920 11.0571 13.4784 14.0517 14.2914 14.4061 14.4965 14.5277 k = 0.2794 0.1613 0.4563 ( 8764 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2517 -14.2511 -14.2498 -14.2495 -11.2958 -11.2944 -11.2771 -11.2751 -11.2732 -11.2711 -1.2686 -1.2469 4.0053 4.1716 4.2657 4.2795 4.7269 4.7959 4.8843 5.3736 5.8451 5.9086 6.1040 6.5271 7.0619 7.2940 8.8368 8.8987 10.9760 11.0483 13.4439 13.9994 14.2291 14.3752 14.4702 14.4841 k = 0.2721 0.1571 0.4443 ( 8756 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2517 -14.2511 -14.2498 -14.2496 -11.2959 -11.2946 -11.2771 -11.2753 -11.2733 -11.2711 -1.2887 -1.2679 4.0125 4.1644 4.2576 4.2585 4.7259 4.7872 4.9361 5.3751 5.8364 5.9095 6.1496 6.5421 7.1179 7.3455 8.9235 8.9865 10.9595 11.0386 13.4082 13.9460 14.1627 14.3114 14.4401 14.4699 k = 0.2647 0.1528 0.4323 ( 8752 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2517 -14.2511 -14.2498 -14.2497 -11.2961 -11.2947 -11.2771 -11.2754 -11.2733 -11.2711 -1.3097 -1.2900 4.0189 4.1564 4.2379 4.2520 4.7249 4.7790 4.9878 5.3780 5.8271 5.9106 6.1997 6.5590 7.1790 7.4010 9.0107 9.0744 10.9426 11.0283 13.3730 13.8936 14.0960 14.2381 14.4024 14.4616 k = 0.2574 0.1486 0.4203 ( 8752 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2518 -14.2511 -14.2498 -14.2498 -11.2962 -11.2949 -11.2771 -11.2755 -11.2734 -11.2711 -1.3317 -1.3131 4.0246 4.1475 4.2209 4.2464 4.7238 4.7714 5.0387 5.3820 5.8174 5.9117 6.2543 6.5786 7.2448 7.4605 9.0980 9.1621 10.9255 11.0173 13.3392 13.8432 14.0306 14.1636 14.3564 14.4509 k = 0.2500 0.1443 0.4082 ( 8760 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2518 -14.2511 -14.2499 -14.2498 -11.2963 -11.2950 -11.2771 -11.2757 -11.2735 -11.2711 -1.3547 -1.3371 4.0297 4.1379 4.2064 4.2415 4.7226 4.7644 5.0882 5.3870 5.8076 5.9127 6.3130 6.6019 7.3151 7.5241 9.1852 9.2492 10.9083 11.0057 13.3077 13.7954 13.9672 14.0898 14.3026 14.4362 k = 0.2426 0.1401 0.3962 ( 8766 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2518 -14.2511 -14.2500 -14.2499 -11.2964 -11.2952 -11.2771 -11.2758 -11.2735 -11.2712 -1.3784 -1.3620 4.0344 4.1279 4.1944 4.2372 4.7212 4.7578 5.1360 5.3930 5.7977 5.9133 6.3757 6.6296 7.3895 7.5917 9.2722 9.3356 10.8913 10.9936 13.2788 13.7504 13.9058 14.0172 14.2423 14.4174 k = 0.2353 0.1358 0.3842 ( 8772 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2518 -14.2511 -14.2501 -14.2499 -11.2965 -11.2954 -11.2771 -11.2759 -11.2736 -11.2712 -1.4029 -1.3876 4.0389 4.1179 4.1844 4.2334 4.7197 4.7516 5.1815 5.3999 5.7879 5.9133 6.4421 6.6623 7.4680 7.6633 9.3585 9.4208 10.8747 10.9811 13.2529 13.7084 13.8461 13.9455 14.1771 14.3925 k = 0.2279 0.1316 0.3722 ( 8762 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2519 -14.2511 -14.2502 -14.2499 -11.2967 -11.2956 -11.2770 -11.2760 -11.2737 -11.2713 -1.4280 -1.4138 4.0433 4.1084 4.1760 4.2299 4.7180 4.7457 5.2247 5.4076 5.7783 5.9127 6.5122 6.7004 7.5502 7.7389 9.4441 9.5043 10.8588 10.9683 13.2302 13.6693 13.7876 13.8745 14.1093 14.3230 k = 0.2206 0.1274 0.3602 ( 8762 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2519 -14.2511 -14.2502 -14.2500 -11.2968 -11.2958 -11.2770 -11.2761 -11.2739 -11.2713 -1.4537 -1.4406 4.0477 4.0998 4.1688 4.2267 4.7161 4.7400 5.2655 5.4161 5.7690 5.9113 6.5856 6.7442 7.6361 7.8184 9.5285 9.5859 10.8440 10.9554 13.2109 13.6326 13.7299 13.8038 14.0414 14.2345 k = 0.2132 0.1231 0.3482 ( 8762 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2519 -14.2511 -14.2503 -14.2500 -11.2970 -11.2960 -11.2770 -11.2762 -11.2740 -11.2714 -1.4798 -1.4678 4.0522 4.0922 4.1625 4.2237 4.7141 4.7345 5.3036 5.4254 5.7600 5.9091 6.6622 6.7938 7.7255 7.9017 9.6115 9.6649 10.8307 10.9426 13.1949 13.5972 13.6733 13.7329 13.9758 14.1512 k = 0.2059 0.1189 0.3362 ( 8752 PWs) bands (ev): -37.2632 -37.2631 -36.8530 -36.8530 -14.2519 -14.2511 -14.2504 -14.2501 -11.2971 -11.2962 -11.2769 -11.2762 -11.2741 -11.2715 -1.5063 -1.4954 4.0568 4.0858 4.1570 4.2208 4.7119 4.7293 5.3392 5.4354 5.7514 5.9060 6.7418 6.8493 7.8183 7.9888 9.6927 9.7407 10.8194 10.9300 13.1821 13.5588 13.6205 13.6613 13.9146 14.0743 k = 0.1985 0.1146 0.3242 ( 8744 PWs) bands (ev): -37.2632 -37.2632 -36.8530 -36.8530 -14.2520 -14.2511 -14.2505 -14.2501 -11.2973 -11.2964 -11.2769 -11.2763 -11.2742 -11.2716 -1.5330 -1.5231 4.0615 4.0805 4.1519 4.2179 4.7097 4.7243 5.3722 5.4460 5.7433 5.9021 6.8242 6.9104 7.9142 8.0796 9.7717 9.8127 10.8107 10.9180 13.1723 13.5098 13.5786 13.5889 13.8594 14.0047 k = 0.1912 0.1104 0.3122 ( 8754 PWs) bands (ev): -37.2632 -37.2632 -36.8530 -36.8530 -14.2520 -14.2511 -14.2506 -14.2502 -11.2974 -11.2966 -11.2768 -11.2764 -11.2744 -11.2717 -1.5599 -1.5509 4.0663 4.0765 4.1474 4.2149 4.7073 4.7196 5.4030 5.4573 5.7358 5.8975 6.9091 6.9769 8.0132 8.1738 9.8483 9.8802 10.8053 10.9068 13.1652 13.4485 13.5158 13.5484 13.8107 13.9425 k = 0.1838 0.1061 0.3002 ( 8770 PWs) bands (ev): -37.2632 -37.2632 -36.8530 -36.8530 -14.2520 -14.2511 -14.2507 -14.2502 -11.2976 -11.2968 -11.2767 -11.2764 -11.2745 -11.2719 -1.5868 -1.5787 4.0712 4.0735 4.1432 4.2119 4.7049 4.7151 5.4315 5.4692 5.7288 5.8922 6.9964 7.0484 8.1150 8.2712 9.9219 9.9425 10.8038 10.8968 13.1603 13.3804 13.4422 13.5243 13.7686 13.8881 k = 0.1765 0.1019 0.2882 ( 8767 PWs) bands (ev): -37.2632 -37.2632 -36.8530 -36.8529 -14.2520 -14.2511 -14.2508 -14.2503 -11.2977 -11.2971 -11.2767 -11.2765 -11.2746 -11.2720 -1.6136 -1.6064 4.0716 4.0761 4.1394 4.2087 4.7025 4.7108 5.4580 5.4816 5.7224 5.8863 7.0858 7.1244 8.2194 8.3718 9.9921 9.9990 10.8068 10.8883 13.1564 13.3088 13.3690 13.5025 13.7324 13.8416 k = 0.1691 0.0976 0.2762 ( 8767 PWs) bands (ev): -37.2632 -37.2632 -36.8529 -36.8529 -14.2521 -14.2511 -14.2509 -14.2504 -11.2979 -11.2973 -11.2766 -11.2765 -11.2748 -11.2721 -1.6402 -1.6338 4.0705 4.0810 4.1358 4.2054 4.7001 4.7069 5.4827 5.4945 5.7166 5.8799 7.1772 7.2047 8.3261 8.4751 10.0490 10.0586 10.8149 10.8820 13.1519 13.2357 13.2975 13.4804 13.7014 13.8034 k = 0.1618 0.0934 0.2642 ( 8779 PWs) bands (ev): -37.2632 -37.2632 -36.8529 -36.8529 -14.2521 -14.2512 -14.2510 -14.2504 -11.2980 -11.2975 -11.2766 -11.2765 -11.2749 -11.2723 -1.6665 -1.6609 4.0702 4.0859 4.1326 4.2019 4.6978 4.7034 5.5057 5.5078 5.7116 5.8732 7.2703 7.2886 8.4349 8.5808 10.0925 10.1210 10.8286 10.8782 13.1421 13.1624 13.2320 13.4555 13.6746 13.7736 k = 0.1544 0.0891 0.2522 ( 8783 PWs) bands (ev): -37.2633 -37.2633 -36.8529 -36.8529 -14.2521 -14.2512 -14.2510 -14.2505 -11.2982 -11.2977 -11.2765 -11.2765 -11.2751 -11.2725 -1.6924 -1.6875 4.0706 4.0905 4.1296 4.1983 4.6957 4.7002 5.5215 5.5273 5.7071 5.8663 7.3648 7.3756 8.5453 8.6886 10.1295 10.1788 10.8477 10.8775 13.0895 13.1123 13.1863 13.4261 13.6511 13.7530 k = 0.1471 0.0849 0.2401 ( 8785 PWs) bands (ev): -37.2633 -37.2633 -36.8529 -36.8529 -14.2521 -14.2512 -14.2511 -14.2506 -11.2984 -11.2979 -11.2766 -11.2764 -11.2752 -11.2726 -1.7178 -1.7135 4.0715 4.0950 4.1268 4.1945 4.6938 4.6974 5.5353 5.5474 5.7034 5.8591 7.4604 7.4654 8.6569 8.7979 10.1607 10.2319 10.8720 10.8805 13.0179 13.0562 13.1659 13.3910 13.6295 13.7420 k = 0.1397 0.0807 0.2281 ( 8789 PWs) bands (ev): -37.2633 -37.2633 -36.8529 -36.8529 -14.2521 -14.2512 -14.2512 -14.2506 -11.2985 -11.2981 -11.2766 -11.2764 -11.2753 -11.2728 -1.7426 -1.7390 4.0729 4.0992 4.1243 4.1906 4.6922 4.6950 5.5494 5.5664 5.7003 5.8519 7.5570 7.5574 8.7691 8.9081 10.1873 10.2802 10.8877 10.9008 12.9479 12.9918 13.1523 13.3505 13.6084 13.7406 k = 0.1324 0.0764 0.2161 ( 8793 PWs) bands (ev): -37.2633 -37.2633 -36.8529 -36.8529 -14.2521 -14.2513 -14.2512 -14.2507 -11.2987 -11.2984 -11.2766 -11.2763 -11.2755 -11.2730 -1.7668 -1.7636 4.0745 4.1031 4.1220 4.1865 4.6908 4.6931 5.5635 5.5842 5.6978 5.8446 7.6510 7.6540 8.8813 9.0182 10.2108 10.3239 10.8994 10.9332 12.8799 12.9268 13.1373 13.3055 13.5864 13.7480 k = 0.1250 0.0722 0.2041 ( 8773 PWs) bands (ev): -37.2633 -37.2633 -36.8529 -36.8529 -14.2521 -14.2513 -14.2513 -14.2508 -11.2988 -11.2985 -11.2766 -11.2763 -11.2756 -11.2732 -1.7901 -1.7874 4.0764 4.1065 4.1200 4.1823 4.6898 4.6916 5.5776 5.6009 5.6960 5.8373 7.7458 7.7513 8.9927 9.1274 10.2331 10.3638 10.9158 10.9685 12.8142 12.8632 13.1188 13.2573 13.5625 13.7587 k = 0.1176 0.0679 0.1921 ( 8777 PWs) bands (ev): -37.2633 -37.2633 -36.8529 -36.8529 -14.2521 -14.2514 -14.2513 -14.2508 -11.2990 -11.2987 -11.2765 -11.2762 -11.2757 -11.2734 -1.8125 -1.8103 4.0784 4.1096 4.1181 4.1780 4.6891 4.6905 5.5916 5.6167 5.6948 5.8301 7.8411 7.8483 9.1021 9.2340 10.2565 10.4010 10.9368 11.0057 12.7509 12.8018 13.0966 13.2073 13.5354 13.7478 k = 0.1103 0.0637 0.1801 ( 8761 PWs) bands (ev): -37.2633 -37.2633 -36.8529 -36.8529 -14.2521 -14.2514 -14.2513 -14.2509 -11.2991 -11.2989 -11.2765 -11.2762 -11.2758 -11.2736 -1.8340 -1.8322 4.0805 4.1123 4.1165 4.1736 4.6888 4.6899 5.6054 5.6314 5.6942 5.8229 7.9365 7.9446 9.2084 9.3365 10.2832 10.4369 10.9622 11.0441 12.6903 12.7428 13.0711 13.1565 13.5039 13.6971 k = 0.1029 0.0594 0.1681 ( 8767 PWs) bands (ev): -37.2633 -37.2633 -36.8529 -36.8529 -14.2521 -14.2515 -14.2513 -14.2510 -11.2993 -11.2991 -11.2765 -11.2761 -11.2759 -11.2738 -1.8545 -1.8530 4.0827 4.1145 4.1151 4.1692 4.6888 4.6896 5.6189 5.6453 5.6942 5.8159 8.0313 8.0397 9.3101 9.4325 10.3161 10.4738 10.9914 11.0833 12.6322 12.6865 13.0426 13.1056 13.4667 13.6285 k = 0.0956 0.0552 0.1561 ( 8775 PWs) bands (ev): -37.2633 -37.2633 -36.8529 -36.8529 -14.2521 -14.2515 -14.2514 -14.2510 -11.2994 -11.2993 -11.2765 -11.2761 -11.2760 -11.2740 -1.8739 -1.8727 4.0848 4.1138 4.1162 4.1647 4.6891 4.6897 5.6321 5.6582 5.6947 5.8090 8.1248 8.1330 9.4055 9.5196 10.3579 10.5137 11.0239 11.1227 12.5769 12.6328 13.0118 13.0553 13.4227 13.5497 k = 0.0882 0.0509 0.1441 ( 8781 PWs) bands (ev): -37.2634 -37.2634 -36.8529 -36.8529 -14.2521 -14.2516 -14.2514 -14.2511 -11.2996 -11.2994 -11.2765 -11.2761 -11.2760 -11.2742 -1.8921 -1.8912 4.0869 4.1128 4.1175 4.1602 4.6897 4.6902 5.6448 5.6701 5.6957 5.8023 8.2163 8.2241 9.4927 9.5955 10.4111 10.5590 11.0595 11.1623 12.5242 12.5818 12.9792 13.0060 13.3706 13.4625 k = 0.0809 0.0467 0.1321 ( 8761 PWs) bands (ev): -37.2634 -37.2634 -36.8529 -36.8529 -14.2521 -14.2516 -14.2514 -14.2512 -11.2997 -11.2996 -11.2764 -11.2761 -11.2760 -11.2744 -1.9091 -1.9084 4.0889 4.1120 4.1184 4.1557 4.6906 4.6909 5.6569 5.6812 5.6972 5.7958 8.3051 8.3121 9.5701 9.6587 10.4774 10.6118 11.0976 11.2017 12.4740 12.5331 12.9450 12.9581 13.3099 13.3682 k = 0.0735 0.0425 0.1201 ( 8761 PWs) bands (ev): -37.2634 -37.2634 -36.8529 -36.8529 -14.2521 -14.2517 -14.2515 -14.2512 -11.2998 -11.2997 -11.2764 -11.2762 -11.2760 -11.2745 -1.9248 -1.9242 4.0909 4.1114 4.1190 4.1513 4.6916 4.6919 5.6684 5.6913 5.6991 5.7894 8.3904 8.3964 9.6366 9.7090 10.5568 10.6735 11.1378 11.2408 12.4261 12.4863 12.9097 12.9117 13.2405 13.2685 k = 0.0662 0.0382 0.1081 ( 8751 PWs) bands (ev): -37.2634 -37.2634 -36.8528 -36.8528 -14.2521 -14.2517 -14.2515 -14.2513 -11.2999 -11.2999 -11.2764 -11.2762 -11.2759 -11.2747 -1.9391 -1.9387 4.0929 4.1109 4.1192 4.1469 4.6928 4.6930 5.6791 5.7004 5.7014 5.7831 8.4713 8.4762 9.6915 9.7474 10.6480 10.7448 11.1799 11.2794 12.3800 12.4408 12.8672 12.8735 13.1633 13.1654 k = 0.0588 0.0340 0.0961 ( 8737 PWs) bands (ev): -37.2634 -37.2634 -36.8528 -36.8528 -14.2521 -14.2517 -14.2515 -14.2513 -11.3000 -11.3000 -11.2763 -11.2762 -11.2759 -11.2749 -1.9521 -1.9518 4.0949 4.1106 4.1191 4.1426 4.6941 4.6942 5.6891 5.7041 5.7085 5.7771 8.5469 8.5507 9.7353 9.7759 10.7489 10.8254 11.2234 11.3172 12.3353 12.3955 12.8246 12.8366 13.0617 13.0801 k = 0.0515 0.0297 0.0841 ( 8745 PWs) bands (ev): -37.2634 -37.2634 -36.8528 -36.8528 -14.2520 -14.2517 -14.2516 -14.2514 -11.3001 -11.3001 -11.2763 -11.2762 -11.2759 -11.2751 -1.9637 -1.9635 4.0969 4.1105 4.1188 4.1384 4.6954 4.6954 5.6981 5.7071 5.7156 5.7712 8.6164 8.6192 9.7689 9.7966 10.8568 10.9139 11.2677 11.3537 12.2908 12.3487 12.7843 12.7995 12.9609 12.9933 k = 0.0441 0.0255 0.0720 ( 8741 PWs) bands (ev): -37.2634 -37.2634 -36.8528 -36.8528 -14.2520 -14.2518 -14.2516 -14.2515 -11.3002 -11.3002 -11.2763 -11.2762 -11.2759 -11.2752 -1.9738 -1.9736 4.0989 4.1106 4.1183 4.1344 4.6966 4.6967 5.7060 5.7107 5.7216 5.7655 8.6788 8.6807 9.7939 9.8115 10.9689 11.0087 11.3118 11.3883 12.2455 12.2983 12.7466 12.7624 12.8669 12.9065 k = 0.0368 0.0212 0.0600 ( 8747 PWs) bands (ev): -37.2634 -37.2634 -36.8528 -36.8528 -14.2520 -14.2518 -14.2517 -14.2515 -11.3002 -11.3002 -11.2763 -11.2761 -11.2759 -11.2754 -1.9823 -1.9823 4.1010 4.1108 4.1177 4.1305 4.6978 4.6978 5.7123 5.7152 5.7265 5.7599 8.7333 8.7344 9.8119 9.8220 11.0826 11.1073 11.3547 11.4202 12.1975 12.2418 12.7120 12.7263 12.7844 12.8239 k = 0.0294 0.0170 0.0480 ( 8749 PWs) bands (ev): -37.2634 -37.2634 -36.8528 -36.8528 -14.2519 -14.2518 -14.2517 -14.2516 -11.3003 -11.3003 -11.2762 -11.2761 -11.2759 -11.2755 -1.9894 -1.9894 4.1032 4.1111 4.1169 4.1267 4.6988 4.6988 5.7169 5.7207 5.7304 5.7545 8.7791 8.7797 9.8243 9.8295 11.1950 11.2072 11.3948 11.4481 12.1453 12.1778 12.6810 12.6921 12.7173 12.7504 k = 0.0221 0.0127 0.0360 ( 8755 PWs) bands (ev): -37.2634 -37.2634 -36.8528 -36.8528 -14.2519 -14.2518 -14.2517 -14.2516 -11.3003 -11.3003 -11.2762 -11.2761 -11.2759 -11.2757 -1.9949 -1.9949 4.1056 4.1116 4.1161 4.1232 4.6996 4.6997 5.7211 5.7257 5.7331 5.7493 8.8155 8.8157 9.8325 9.8346 11.3019 11.3046 11.4303 11.4706 12.0884 12.1076 12.6544 12.6614 12.6677 12.6905 k = 0.0147 0.0085 0.0240 ( 8771 PWs) bands (ev): -37.2634 -37.2634 -36.8528 -36.8528 -14.2519 -14.2518 -14.2517 -14.2517 -11.3004 -11.3004 -11.2761 -11.2760 -11.2759 -11.2758 -1.9989 -1.9989 4.1081 4.1121 4.1152 4.1198 4.7003 4.7003 5.7254 5.7297 5.7347 5.7442 8.8419 8.8420 9.8374 9.8381 11.3935 11.3965 11.4594 11.4863 12.0298 12.0376 12.6334 12.6353 12.6363 12.6474 k = 0.0074 0.0042 0.0120 ( 8801 PWs) bands (ev): -37.2634 -37.2634 -36.8528 -36.8528 -14.2518 -14.2518 -14.2518 -14.2517 -11.3004 -11.3004 -11.2761 -11.2760 -11.2760 -11.2759 -2.0013 -2.0013 4.1107 4.1128 4.1144 4.1166 4.7007 4.7007 5.7299 5.7327 5.7352 5.7393 8.8579 8.8579 9.8400 9.8401 11.4624 11.4663 11.4803 11.4937 11.9799 11.9812 12.6180 12.6192 12.6194 12.6222 k = 0.0000 0.0000 0.0000 ( 8801 PWs) bands (ev): -37.2634 -37.2634 -36.8528 -36.8528 -14.2518 -14.2518 -14.2518 -14.2518 -11.3004 -11.3004 -11.2760 -11.2760 -11.2760 -11.2760 -2.0021 -2.0021 4.1136 4.1136 4.1136 4.1136 4.7008 4.7008 5.7345 5.7345 5.7345 5.7345 8.8633 8.8633 9.8408 9.8408 11.4918 11.4918 11.4918 11.4918 11.9585 11.9585 12.6136 12.6136 12.6136 12.6136 k = 0.0000 0.0000 0.0000 ( 8801 PWs) bands (ev): -37.2634 -37.2634 -36.8528 -36.8528 -14.2518 -14.2518 -14.2518 -14.2518 -11.3004 -11.3004 -11.2760 -11.2760 -11.2760 -11.2760 -2.0021 -2.0021 4.1136 4.1136 4.1136 4.1136 4.7008 4.7008 5.7345 5.7345 5.7345 5.7345 8.8633 8.8633 9.8408 9.8408 11.4918 11.4918 11.4918 11.4918 11.9585 11.9585 12.6136 12.6136 12.6136 12.6136 k = 0.0122 0.0070 0.0050 ( 8801 PWs) bands (ev): -37.2634 -37.2634 -36.8528 -36.8528 -14.2518 -14.2518 -14.2518 -14.2517 -11.3004 -11.3004 -11.2761 -11.2760 -11.2760 -11.2759 -2.0012 -2.0012 4.1106 4.1136 4.1136 4.1167 4.7007 4.7007 5.7297 5.7338 5.7338 5.7395 8.8577 8.8577 9.8400 9.8400 11.4647 11.4647 11.4781 11.4933 11.9812 11.9812 12.6185 12.6199 12.6199 12.6214 k = 0.0244 0.0141 0.0100 ( 8771 PWs) bands (ev): -37.2634 -37.2634 -36.8528 -36.8528 -14.2519 -14.2518 -14.2518 -14.2517 -11.3004 -11.3004 -11.2761 -11.2760 -11.2760 -11.2758 -1.9988 -1.9988 4.1078 4.1137 4.1137 4.1201 4.7003 4.7003 5.7252 5.7319 5.7319 5.7449 8.8412 8.8412 9.8378 9.8378 11.3961 11.3961 11.4530 11.4827 12.0364 12.0364 12.6360 12.6390 12.6390 12.6412 k = 0.0366 0.0211 0.0149 ( 8765 PWs) bands (ev): -37.2634 -37.2634 -36.8528 -36.8528 -14.2519 -14.2517 -14.2517 -14.2516 -11.3003 -11.3003 -11.2762 -11.2760 -11.2760 -11.2756 -1.9947 -1.9947 4.1053 4.1138 4.1138 4.1236 4.6996 4.6996 5.7210 5.7288 5.7288 5.7504 8.8138 8.8138 9.8339 9.8339 11.3058 11.3058 11.4181 11.4611 12.1039 12.1039 12.6649 12.6711 12.6719 12.6719 k = 0.0488 0.0282 0.0199 ( 8747 PWs) bands (ev): -37.2634 -37.2634 -36.8528 -36.8528 -14.2519 -14.2517 -14.2517 -14.2516 -11.3003 -11.3003 -11.2762 -11.2760 -11.2760 -11.2755 -1.9890 -1.9890 4.1030 4.1139 4.1139 4.1273 4.6988 4.6988 5.7171 5.7243 5.7243 5.7562 8.7758 8.7758 9.8283 9.8283 11.2060 11.2060 11.3750 11.4300 12.1712 12.1712 12.7032 12.7090 12.7192 12.7192 k = 0.0610 0.0352 0.0249 ( 8741 PWs) bands (ev): -37.2634 -37.2634 -36.8528 -36.8528 -14.2520 -14.2517 -14.2517 -14.2515 -11.3002 -11.3002 -11.2763 -11.2760 -11.2760 -11.2753 -1.9817 -1.9817 4.1009 4.1140 4.1140 4.1310 4.6978 4.6978 5.7137 5.7187 5.7187 5.7621 8.7276 8.7276 9.8209 9.8209 11.1028 11.1028 11.3257 11.3911 12.2328 12.2328 12.7488 12.7527 12.7808 12.7808 k = 0.0732 0.0422 0.0299 ( 8738 PWs) bands (ev): -37.2634 -37.2634 -36.8528 -36.8528 -14.2520 -14.2517 -14.2517 -14.2515 -11.3002 -11.3002 -11.2763 -11.2761 -11.2761 -11.2752 -1.9728 -1.9728 4.0991 4.1141 4.1141 4.1349 4.6966 4.6966 5.7106 5.7119 5.7119 5.7683 8.6695 8.6695 9.8115 9.8115 10.9998 10.9998 11.2717 11.3462 12.2872 12.2872 12.7990 12.7998 12.8553 12.8553 k = 0.0854 0.0493 0.0349 ( 8744 PWs) bands (ev): -37.2634 -37.2634 -36.8528 -36.8528 -14.2520 -14.2517 -14.2517 -14.2514 -11.3001 -11.3001 -11.2763 -11.2761 -11.2761 -11.2750 -1.9624 -1.9624 4.0975 4.1142 4.1142 4.1388 4.6955 4.6955 5.7039 5.7039 5.7080 5.7746 8.6022 8.6022 9.7999 9.7999 10.8991 10.8991 11.2143 11.2968 12.3351 12.3351 12.8481 12.8515 12.9404 12.9404 k = 0.0976 0.0563 0.0398 ( 8744 PWs) bands (ev): -37.2634 -37.2634 -36.8528 -36.8528 -14.2521 -14.2516 -14.2516 -14.2513 -11.3000 -11.3000 -11.2763 -11.2761 -11.2761 -11.2748 -1.9505 -1.9505 4.0962 4.1141 4.1141 4.1427 4.6943 4.6943 5.6948 5.6948 5.7058 5.7812 8.5262 8.5262 9.7861 9.7861 10.8021 10.8021 11.1545 11.2442 12.3780 12.3780 12.8957 12.9037 13.0335 13.0335 k = 0.1098 0.0634 0.0448 ( 8747 PWs) bands (ev): -37.2634 -37.2634 -36.8528 -36.8528 -14.2521 -14.2516 -14.2516 -14.2513 -11.2999 -11.2999 -11.2762 -11.2762 -11.2762 -11.2746 -1.9371 -1.9371 4.0951 4.1139 4.1139 4.1467 4.6932 4.6932 5.6846 5.6846 5.7042 5.7878 8.4423 8.4423 9.7699 9.7699 10.7098 10.7098 11.0934 11.1893 12.4171 12.4171 12.9405 12.9533 13.1323 13.1323 k = 0.1220 0.0704 0.0498 ( 8759 PWs) bands (ev): -37.2634 -37.2634 -36.8529 -36.8529 -14.2521 -14.2515 -14.2515 -14.2512 -11.2997 -11.2997 -11.2762 -11.2762 -11.2762 -11.2744 -1.9224 -1.9224 4.0942 4.1136 4.1136 4.1505 4.6923 4.6923 5.6733 5.6733 5.7031 5.7947 8.3514 8.3514 9.7512 9.7512 10.6229 10.6229 11.0314 11.1329 12.4534 12.4534 12.9806 12.9980 13.2351 13.2351 k = 0.1341 0.0774 0.0548 ( 8750 PWs) bands (ev): -37.2634 -37.2634 -36.8529 -36.8529 -14.2521 -14.2515 -14.2515 -14.2512 -11.2996 -11.2996 -11.2763 -11.2763 -11.2761 -11.2742 -1.9062 -1.9062 4.0935 4.1130 4.1130 4.1543 4.6917 4.6917 5.6611 5.6611 5.7027 5.8017 8.2541 8.2541 9.7300 9.7300 10.5418 10.5418 10.9692 11.0756 12.4874 12.4874 13.0145 13.0356 13.3404 13.3404 k = 0.1463 0.0845 0.0597 ( 8750 PWs) bands (ev): -37.2633 -37.2633 -36.8529 -36.8529 -14.2521 -14.2515 -14.2515 -14.2511 -11.2995 -11.2995 -11.2763 -11.2763 -11.2760 -11.2740 -1.8888 -1.8888 4.0931 4.1122 4.1122 4.1580 4.6913 4.6913 5.6479 5.6479 5.7028 5.8088 8.1516 8.1516 9.7062 9.7062 10.4668 10.4668 10.9071 11.0178 12.5189 12.5189 13.0407 13.0644 13.4474 13.4474 k = 0.1585 0.0915 0.0647 ( 8762 PWs) bands (ev): -37.2633 -37.2633 -36.8529 -36.8529 -14.2522 -14.2514 -14.2514 -14.2511 -11.2993 -11.2993 -11.2764 -11.2764 -11.2759 -11.2738 -1.8702 -1.8702 4.0928 4.1113 4.1113 4.1615 4.6912 4.6912 5.6337 5.6337 5.7036 5.8160 8.0448 8.0448 9.6798 9.6798 10.3979 10.3979 10.8455 10.9601 12.5477 12.5477 13.0584 13.0831 13.5549 13.5549 k = 0.1707 0.0986 0.0697 ( 8762 PWs) bands (ev): -37.2633 -37.2633 -36.8529 -36.8529 -14.2522 -14.2514 -14.2514 -14.2511 -11.2992 -11.2992 -11.2764 -11.2764 -11.2758 -11.2736 -1.8503 -1.8503 4.0928 4.1100 4.1100 4.1648 4.6915 4.6915 5.6187 5.6187 5.7051 5.8234 7.9346 7.9346 9.6507 9.6507 10.3352 10.3352 10.7846 10.9025 12.5734 12.5734 13.0671 13.0912 13.6625 13.6625 k = 0.1829 0.1056 0.0747 ( 8744 PWs) bands (ev): -37.2633 -37.2633 -36.8529 -36.8529 -14.2522 -14.2513 -14.2513 -14.2510 -11.2990 -11.2990 -11.2765 -11.2765 -11.2757 -11.2734 -1.8295 -1.8295 4.0929 4.1086 4.1086 4.1679 4.6923 4.6923 5.6028 5.6028 5.7073 5.8309 7.8220 7.8220 9.6191 9.6191 10.2785 10.2785 10.7247 10.8455 12.5956 12.5956 13.0670 13.0890 13.7693 13.7693 k = 0.1951 0.1127 0.0797 ( 8762 PWs) bands (ev): -37.2633 -37.2633 -36.8529 -36.8529 -14.2522 -14.2512 -14.2512 -14.2510 -11.2988 -11.2988 -11.2765 -11.2765 -11.2755 -11.2732 -1.8076 -1.8076 4.0932 4.1070 4.1070 4.1708 4.6934 4.6934 5.5861 5.5861 5.7103 5.8384 7.7079 7.7079 9.5850 9.5850 10.2276 10.2276 10.6660 10.7890 12.6139 12.6139 13.0588 13.0775 13.8748 13.8748 k = 0.2073 0.1197 0.0846 ( 8762 PWs) bands (ev): -37.2633 -37.2633 -36.8529 -36.8529 -14.2522 -14.2512 -14.2512 -14.2509 -11.2987 -11.2987 -11.2766 -11.2766 -11.2754 -11.2730 -1.7849 -1.7849 4.0937 4.1052 4.1052 4.1733 4.6949 4.6949 5.5686 5.5686 5.7140 5.8460 7.5932 7.5932 9.5486 9.5486 10.1822 10.1822 10.6086 10.7334 12.6281 12.6281 13.0432 13.0580 13.9787 13.9787 k = 0.2195 0.1267 0.0896 ( 8759 PWs) bands (ev): -37.2633 -37.2633 -36.8529 -36.8529 -14.2521 -14.2511 -14.2511 -14.2509 -11.2985 -11.2985 -11.2767 -11.2767 -11.2752 -11.2728 -1.7614 -1.7614 4.0943 4.1033 4.1033 4.1755 4.6967 4.6967 5.5503 5.5503 5.7184 5.8537 7.4789 7.4789 9.5104 9.5104 10.1419 10.1419 10.5526 10.6787 12.6381 12.6381 13.0216 13.0319 14.0805 14.0805 k = 0.2317 0.1338 0.0946 ( 8771 PWs) bands (ev): -37.2633 -37.2633 -36.8529 -36.8529 -14.2521 -14.2511 -14.2511 -14.2509 -11.2983 -11.2983 -11.2767 -11.2767 -11.2751 -11.2726 -1.7373 -1.7373 4.0951 4.1014 4.1014 4.1774 4.6988 4.6988 5.5312 5.5312 5.7236 5.8613 7.3657 7.3657 9.4706 9.4706 10.1063 10.1063 10.4982 10.6250 12.6439 12.6439 12.9949 13.0008 14.1797 14.1797 k = 0.2439 0.1408 0.0996 ( 8783 PWs) bands (ev): -37.2633 -37.2633 -36.8529 -36.8529 -14.2521 -14.2510 -14.2510 -14.2508 -11.2981 -11.2981 -11.2768 -11.2768 -11.2749 -11.2724 -1.7126 -1.7126 4.0960 4.0995 4.0995 4.1789 4.7010 4.7010 5.5112 5.5112 5.7295 5.8689 7.2544 7.2544 9.4295 9.4295 10.0749 10.0749 10.4455 10.5725 12.6459 12.6459 12.9644 12.9659 14.2751 14.2751 k = 0.2561 0.1479 0.1046 ( 8777 PWs) bands (ev): -37.2632 -37.2632 -36.8529 -36.8529 -14.2521 -14.2509 -14.2509 -14.2508 -11.2979 -11.2979 -11.2769 -11.2769 -11.2747 -11.2722 -1.6875 -1.6875 4.0971 4.0978 4.0978 4.1801 4.7034 4.7034 5.4905 5.4905 5.7362 5.8763 7.1458 7.1458 9.3877 9.3877 10.0472 10.0472 10.3946 10.5212 12.6444 12.6444 12.9285 12.9310 14.3639 14.3639 k = 0.2683 0.1549 0.1095 ( 8777 PWs) bands (ev): -37.2632 -37.2632 -36.8529 -36.8529 -14.2521 -14.2509 -14.2509 -14.2508 -11.2978 -11.2978 -11.2769 -11.2769 -11.2745 -11.2720 -1.6622 -1.6622 4.0963 4.0963 4.0983 4.1809 4.7057 4.7057 5.4688 5.4688 5.7436 5.8837 7.0405 7.0405 9.3456 9.3456 10.0228 10.0228 10.3456 10.4713 12.6399 12.6399 12.8896 12.8956 14.4407 14.4407 k = 0.2805 0.1619 0.1145 ( 8771 PWs) bands (ev): -37.2632 -37.2632 -36.8529 -36.8529 -14.2520 -14.2508 -14.2508 -14.2508 -11.2976 -11.2976 -11.2770 -11.2770 -11.2743 -11.2718 -1.6367 -1.6367 4.0951 4.0951 4.0996 4.1813 4.7078 4.7078 5.4464 5.4464 5.7516 5.8909 6.9392 6.9392 9.3035 9.3035 10.0012 10.0012 10.2986 10.4228 12.6329 12.6329 12.8500 12.8591 14.4995 14.4995 k = 0.2927 0.1690 0.1195 ( 8766 PWs) bands (ev): -37.2632 -37.2632 -36.8529 -36.8529 -14.2520 -14.2508 -14.2508 -14.2508 -11.2974 -11.2974 -11.2770 -11.2770 -11.2741 -11.2717 -1.6112 -1.6112 4.0944 4.0944 4.1010 4.1813 4.7095 4.7095 5.4231 5.4231 5.7602 5.8979 6.8425 6.8425 9.2617 9.2617 9.9822 9.9822 10.2538 10.3757 12.6238 12.6238 12.8104 12.8220 14.5399 14.5399 k = 0.3049 0.1760 0.1245 ( 8772 PWs) bands (ev): -37.2632 -37.2632 -36.8530 -36.8530 -14.2520 -14.2508 -14.2507 -14.2507 -11.2973 -11.2973 -11.2771 -11.2771 -11.2739 -11.2715 -1.5859 -1.5859 4.0942 4.0942 4.1026 4.1809 4.7107 4.7107 5.3990 5.3990 5.7694 5.9045 6.7509 6.7509 9.2207 9.2207 9.9654 9.9654 10.2111 10.3303 12.6132 12.6132 12.7713 12.7850 14.5669 14.5669 k = 0.3171 0.1831 0.1294 ( 8766 PWs) bands (ev): -37.2632 -37.2632 -36.8530 -36.8530 -14.2519 -14.2508 -14.2506 -14.2506 -11.2971 -11.2971 -11.2772 -11.2772 -11.2737 -11.2714 -1.5610 -1.5610 4.0946 4.0946 4.1043 4.1802 4.7111 4.7111 5.3742 5.3742 5.7791 5.9108 6.6650 6.6650 9.1806 9.1806 9.9506 9.9506 10.1708 10.2865 12.6015 12.6015 12.7332 12.7486 14.5861 14.5861 k = 0.3293 0.1901 0.1344 ( 8766 PWs) bands (ev): -37.2632 -37.2632 -36.8530 -36.8530 -14.2519 -14.2508 -14.2506 -14.2506 -11.2969 -11.2969 -11.2772 -11.2772 -11.2735 -11.2713 -1.5366 -1.5366 4.0957 4.0957 4.1061 4.1792 4.7106 4.7106 5.3487 5.3487 5.7892 5.9167 6.5851 6.5851 9.1419 9.1419 9.9374 9.9374 10.1328 10.2445 12.5892 12.5892 12.6965 12.7130 14.6006 14.6006 k = 0.3415 0.1971 0.1394 ( 8766 PWs) bands (ev): -37.2632 -37.2632 -36.8530 -36.8530 -14.2518 -14.2508 -14.2505 -14.2505 -11.2968 -11.2968 -11.2773 -11.2773 -11.2733 -11.2712 -1.5128 -1.5128 4.0977 4.0977 4.1080 4.1778 4.7089 4.7089 5.3229 5.3229 5.7997 5.9221 6.5115 6.5115 9.1047 9.1047 9.9258 9.9258 10.0974 10.2044 12.5764 12.5764 12.6616 12.6788 14.6123 14.6123 k = 0.3537 0.2042 0.1444 ( 8754 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2518 -14.2508 -14.2505 -14.2505 -11.2966 -11.2966 -11.2773 -11.2773 -11.2730 -11.2711 -1.4899 -1.4899 4.1005 4.1005 4.1100 4.1762 4.7058 4.7058 5.2971 5.2971 5.8104 5.9270 6.4446 6.4446 9.0693 9.0693 9.9156 9.9156 10.0646 10.1662 12.5637 12.5637 12.6286 12.6461 14.6222 14.6222 k = 0.3659 0.2112 0.1494 ( 8769 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2517 -14.2508 -14.2504 -14.2504 -11.2965 -11.2965 -11.2774 -11.2774 -11.2728 -11.2710 -1.4680 -1.4680 4.1041 4.1041 4.1121 4.1742 4.7012 4.7012 5.2715 5.2715 5.8213 5.9312 6.3842 6.3842 9.0358 9.0358 9.9066 9.9066 10.0344 10.1301 12.5511 12.5511 12.5978 12.6152 14.6306 14.6306 k = 0.3780 0.2183 0.1543 ( 8772 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2517 -14.2508 -14.2504 -14.2504 -11.2964 -11.2964 -11.2774 -11.2774 -11.2726 -11.2709 -1.4473 -1.4473 4.1086 4.1086 4.1144 4.1720 4.6949 4.6949 5.2466 5.2466 5.8322 5.9348 6.3305 6.3305 9.0046 9.0046 9.8987 9.8987 10.0070 10.0962 12.5391 12.5391 12.5694 12.5863 14.6381 14.6381 k = 0.3902 0.2253 0.1593 ( 8772 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2516 -14.2508 -14.2503 -14.2503 -11.2963 -11.2963 -11.2774 -11.2774 -11.2724 -11.2709 -1.4280 -1.4280 4.1140 4.1140 4.1167 4.1696 4.6869 4.6869 5.2230 5.2230 5.8431 5.9376 6.2833 6.2833 8.9758 8.9758 9.8918 9.8918 9.9825 10.0646 12.5277 12.5277 12.5434 12.5597 14.6446 14.6446 k = 0.4024 0.2323 0.1643 ( 8763 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2516 -14.2509 -14.2503 -14.2503 -11.2962 -11.2962 -11.2775 -11.2775 -11.2723 -11.2708 -1.4102 -1.4102 4.1192 4.1201 4.1201 4.1669 4.6773 4.6773 5.2011 5.2011 5.8538 5.9396 6.2423 6.2423 8.9494 8.9494 9.8858 9.8858 9.9610 10.0354 12.5171 12.5171 12.5201 12.5353 14.6503 14.6503 k = 0.4146 0.2394 0.1693 ( 8757 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2515 -14.2509 -14.2503 -14.2503 -11.2961 -11.2961 -11.2775 -11.2775 -11.2721 -11.2708 -1.3941 -1.3941 4.1218 4.1267 4.1267 4.1642 4.6665 4.6665 5.1814 5.1814 5.8643 5.9408 6.2073 6.2073 8.9258 8.9258 9.8807 9.8807 9.9424 10.0087 12.4996 12.5075 12.5075 12.5134 14.6553 14.6553 k = 0.4268 0.2464 0.1743 ( 8775 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2515 -14.2509 -14.2502 -14.2502 -11.2960 -11.2960 -11.2775 -11.2775 -11.2719 -11.2708 -1.3798 -1.3798 4.1245 4.1337 4.1337 4.1612 4.6547 4.6547 5.1640 5.1640 5.8745 5.9410 6.1779 6.1779 8.9051 8.9051 9.8763 9.8763 9.9269 9.9846 12.4818 12.4941 12.4990 12.4990 14.6596 14.6596 k = 0.4390 0.2535 0.1792 ( 8754 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2514 -14.2510 -14.2502 -14.2502 -11.2959 -11.2959 -11.2776 -11.2776 -11.2717 -11.2708 -1.3675 -1.3675 4.1272 4.1407 4.1407 4.1582 4.6426 4.6426 5.1493 5.1493 5.8842 5.9404 6.1537 6.1537 8.8873 8.8873 9.8728 9.8728 9.9145 9.9633 12.4668 12.4774 12.4916 12.4916 14.6633 14.6633 k = 0.4512 0.2605 0.1842 ( 8754 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2514 -14.2510 -14.2502 -14.2502 -11.2958 -11.2958 -11.2776 -11.2776 -11.2716 -11.2708 -1.3572 -1.3572 4.1301 4.1473 4.1473 4.1551 4.6310 4.6310 5.1373 5.1373 5.8933 5.9388 6.1344 6.1344 8.8726 8.8726 9.8699 9.8699 9.9052 9.9447 12.4548 12.4634 12.4855 12.4855 14.6662 14.6662 k = 0.4634 0.2676 0.1892 ( 8766 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2513 -14.2510 -14.2502 -14.2502 -11.2958 -11.2958 -11.2776 -11.2776 -11.2714 -11.2709 -1.3492 -1.3492 4.1331 4.1519 4.1532 4.1532 4.6208 4.6208 5.1281 5.1281 5.9019 5.9363 6.1198 6.1198 8.8611 8.8611 9.8677 9.8677 9.8992 9.9290 12.4456 12.4522 12.4807 12.4807 14.6685 14.6685 k = 0.4756 0.2746 0.1942 ( 8772 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2513 -14.2511 -14.2502 -14.2502 -11.2958 -11.2958 -11.2776 -11.2776 -11.2713 -11.2709 -1.3433 -1.3433 4.1361 4.1487 4.1578 4.1578 4.6128 4.6128 5.1216 5.1216 5.9097 5.9328 6.1095 6.1095 8.8528 8.8528 9.8661 9.8661 9.8963 9.9163 12.4394 12.4439 12.4773 12.4773 14.6702 14.6702 k = 0.4878 0.2816 0.1991 ( 8754 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2512 -14.2511 -14.2502 -14.2502 -11.2958 -11.2958 -11.2776 -11.2776 -11.2712 -11.2710 -1.3398 -1.3398 4.1392 4.1456 4.1608 4.1608 4.6076 4.6076 5.1177 5.1177 5.9168 5.9284 6.1034 6.1034 8.8478 8.8478 9.8652 9.8652 9.8966 9.9066 12.4361 12.4384 12.4752 12.4752 14.6712 14.6712 k = 0.5000 0.2887 0.2041 ( 8754 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2512 -14.2512 -14.2502 -14.2502 -11.2957 -11.2957 -11.2776 -11.2776 -11.2711 -11.2711 -1.3386 -1.3386 4.1424 4.1424 4.1618 4.1618 4.6058 4.6058 5.1165 5.1165 5.9230 5.9230 6.1014 6.1014 8.8461 8.8461 9.8649 9.8649 9.9000 9.9000 12.4358 12.4358 12.4745 12.4745 14.6715 14.6715 k = 0.5000 0.2887 0.2041 ( 8754 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2512 -14.2512 -14.2502 -14.2502 -11.2957 -11.2957 -11.2776 -11.2776 -11.2711 -11.2711 -1.3386 -1.3386 4.1424 4.1424 4.1618 4.1618 4.6058 4.6058 5.1165 5.1165 5.9230 5.9230 6.1014 6.1014 8.8461 8.8461 9.8649 9.8649 9.9000 9.9000 12.4358 12.4358 12.4745 12.4745 14.6715 14.6715 k = 0.5043 0.2762 0.2112 ( 8756 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2512 -14.2512 -14.2502 -14.2502 -11.2958 -11.2957 -11.2776 -11.2776 -11.2711 -11.2711 -1.3388 -1.3374 4.1410 4.1421 4.1545 4.1718 4.5993 4.6126 5.1110 5.1218 5.9230 5.9230 6.0961 6.1064 8.8198 8.8534 9.7696 9.7924 9.9786 9.9955 12.4383 12.4383 12.4774 12.4838 14.6711 14.6813 k = 0.5086 0.2638 0.2182 ( 8760 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2512 -14.2512 -14.2502 -14.2501 -11.2958 -11.2956 -11.2777 -11.2775 -11.2711 -11.2711 -1.3379 -1.3350 4.1347 4.1420 4.1531 4.1826 4.5933 4.6197 5.1053 5.1271 5.9230 5.9231 6.0905 6.1111 8.7761 8.8407 9.6660 9.7058 10.0730 10.1095 12.4447 12.4453 12.4936 12.5060 14.6801 14.7003 k = 0.5129 0.2513 0.2252 ( 8750 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2512 -14.2512 -14.2501 -14.2501 -11.2959 -11.2956 -11.2777 -11.2775 -11.2711 -11.2711 -1.3359 -1.3317 4.1254 4.1425 4.1556 4.1938 4.5877 4.6269 5.0992 5.1326 5.9230 5.9232 6.0845 6.1157 8.7173 8.8079 9.5686 9.6215 10.1688 10.2238 12.4536 12.4561 12.5243 12.5417 14.6983 14.7279 k = 0.5172 0.2389 0.2323 ( 8754 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2512 -14.2512 -14.2501 -14.2501 -11.2959 -11.2955 -11.2777 -11.2774 -11.2711 -11.2711 -1.3329 -1.3272 4.1156 4.1436 4.1597 4.2052 4.5828 4.6343 5.0926 5.1384 5.9230 5.9234 6.0782 6.1200 8.6457 8.7559 9.4783 9.5394 10.2646 10.3361 12.4653 12.4714 12.5691 12.5905 14.7250 14.7630 k = 0.5216 0.2265 0.2393 ( 8750 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2512 -14.2512 -14.2501 -14.2501 -11.2959 -11.2954 -11.2777 -11.2773 -11.2711 -11.2711 -1.3289 -1.3218 4.1055 4.1454 4.1649 4.2167 4.5785 4.6416 5.0856 5.1446 5.9229 5.9237 6.0715 6.1244 8.5638 8.6870 9.3948 9.4589 10.3589 10.4446 12.4806 12.4921 12.6270 12.6514 14.7595 14.8043 k = 0.5259 0.2140 0.2464 ( 8762 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2512 -14.2512 -14.2501 -14.2500 -11.2959 -11.2953 -11.2776 -11.2772 -11.2712 -11.2711 -1.3238 -1.3153 4.0954 4.1478 4.1709 4.2283 4.5749 4.6489 5.0779 5.1514 5.9227 5.9241 6.0644 6.1286 8.4740 8.6044 9.3167 9.3793 10.4503 10.5475 12.5003 12.5195 12.6969 12.7233 14.8003 14.8497 k = 0.5302 0.2016 0.2534 ( 8760 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2513 -14.2512 -14.2501 -14.2500 -11.2959 -11.2952 -11.2776 -11.2771 -11.2712 -11.2712 -1.3178 -1.3079 4.0853 4.1507 4.1779 4.2398 4.5722 4.6561 5.0697 5.1589 5.9224 5.9247 6.0569 6.1330 8.3786 8.5115 9.2424 9.3004 10.5377 10.6433 12.5253 12.5548 12.7776 12.8052 14.8458 14.8963 k = 0.5345 0.1891 0.2604 ( 8771 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2513 -14.2512 -14.2501 -14.2499 -11.2959 -11.2951 -11.2776 -11.2770 -11.2713 -11.2712 -1.3109 -1.2997 4.0751 4.1542 4.1856 4.2512 4.5703 4.6630 5.0609 5.1674 5.9219 5.9253 6.0492 6.1375 8.2793 8.4117 9.1702 9.2216 10.6198 10.7306 12.5562 12.5991 12.8681 12.8960 14.8934 14.9403 k = 0.5388 0.1767 0.2675 ( 8765 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2513 -14.2512 -14.2500 -14.2498 -11.2959 -11.2950 -11.2775 -11.2769 -11.2713 -11.2712 -1.3031 -1.2906 4.0648 4.1581 4.1940 4.2624 4.5694 4.6696 5.0516 5.1768 5.9213 5.9260 6.0411 6.1423 8.1778 8.3076 9.0992 9.1429 10.6956 10.8085 12.5937 12.6533 12.9673 12.9945 14.9394 14.9763 k = 0.5431 0.1642 0.2745 ( 8767 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2513 -14.2512 -14.2500 -14.2498 -11.2959 -11.2949 -11.2775 -11.2768 -11.2714 -11.2712 -1.2945 -1.2807 4.0543 4.1623 4.2031 4.2732 4.5695 4.6759 5.0418 5.1874 5.9205 5.9269 6.0328 6.1474 8.0752 8.2014 9.0285 9.0642 10.7644 10.8762 12.6379 12.7179 13.0742 13.0998 14.9790 14.9984 k = 0.5474 0.1518 0.2816 ( 8771 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2514 -14.2512 -14.2500 -14.2497 -11.2958 -11.2948 -11.2775 -11.2766 -11.2714 -11.2713 -1.2852 -1.2702 4.0437 4.1666 4.2128 4.2836 4.5706 4.6818 5.0318 5.1992 5.9193 5.9278 6.0243 6.1529 7.9728 8.0949 8.9577 8.9857 10.8257 10.9337 12.6890 12.7927 13.1877 13.2106 15.0010 15.0060 k = 0.5517 0.1394 0.2886 ( 8761 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2514 -14.2512 -14.2500 -14.2497 -11.2958 -11.2947 -11.2774 -11.2765 -11.2715 -11.2713 -1.2752 -1.2590 4.0328 4.1710 4.2231 4.2936 4.5726 4.6873 5.0217 5.2124 5.9176 5.9287 6.0160 6.1590 7.8713 7.9895 8.8869 8.9073 10.8793 10.9812 12.7466 12.8773 13.3066 13.3258 14.9822 15.0142 k = 0.5560 0.1269 0.2956 ( 8757 PWs) bands (ev): -37.2631 -37.2630 -36.8530 -36.8530 -14.2514 -14.2512 -14.2499 -14.2496 -11.2958 -11.2947 -11.2773 -11.2763 -11.2716 -11.2713 -1.2646 -1.2473 4.0217 4.1751 4.2340 4.3030 4.5753 4.6923 5.0119 5.2268 5.9154 5.9296 6.0078 6.1657 7.7716 7.8861 8.8161 8.8294 10.9254 11.0194 12.8098 12.9706 13.4298 13.4441 14.9443 15.0000 k = 0.5603 0.1145 0.3027 ( 8760 PWs) bands (ev): -37.2631 -37.2630 -36.8530 -36.8530 -14.2514 -14.2512 -14.2499 -14.2495 -11.2957 -11.2946 -11.2773 -11.2761 -11.2717 -11.2713 -1.2536 -1.2351 4.0102 4.1789 4.2452 4.3120 4.5787 4.6970 5.0027 5.2426 5.9124 5.9305 6.0000 6.1730 7.6743 7.7856 8.7453 8.7522 10.9644 11.0494 12.8775 13.0711 13.5559 13.5638 14.8933 14.9652 k = 0.5647 0.1020 0.3097 ( 8756 PWs) bands (ev): -37.2630 -37.2630 -36.8530 -36.8530 -14.2514 -14.2511 -14.2499 -14.2495 -11.2957 -11.2945 -11.2772 -11.2760 -11.2717 -11.2713 -1.2422 -1.2226 3.9985 4.1820 4.2568 4.3206 4.5822 4.7012 4.9946 5.2596 5.9085 5.9314 5.9930 6.1811 7.5800 7.6888 8.6748 8.6758 10.9968 11.0721 12.9477 13.1767 13.6828 13.6832 14.8365 14.9165 k = 0.5690 0.0896 0.3167 ( 8750 PWs) bands (ev): -37.2630 -37.2630 -36.8530 -36.8530 -14.2515 -14.2511 -14.2499 -14.2494 -11.2956 -11.2944 -11.2772 -11.2758 -11.2718 -11.2713 -1.2304 -1.2099 3.9864 4.1842 4.2687 4.3289 4.5857 4.7051 4.9881 5.2780 5.9033 5.9323 5.9870 6.1898 7.4893 7.5962 8.6005 8.6049 11.0233 11.0887 13.0183 13.2848 13.7984 13.8091 14.7815 14.8634 k = 0.5733 0.0771 0.3238 ( 8751 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8530 -14.2515 -14.2511 -14.2499 -14.2493 -11.2956 -11.2943 -11.2771 -11.2756 -11.2719 -11.2713 -1.2185 -1.1971 3.9740 4.1852 4.2808 4.3371 4.5885 4.7085 4.9839 5.2975 5.8969 5.9330 5.9821 6.1992 7.4024 7.5085 8.5265 8.5357 11.0447 11.1003 13.0861 13.3914 13.9068 13.9300 14.7368 14.8169 k = 0.5776 0.0647 0.3308 ( 8748 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8530 -14.2515 -14.2511 -14.2499 -14.2493 -11.2955 -11.2942 -11.2770 -11.2754 -11.2720 -11.2713 -1.2065 -1.1843 3.9612 4.1847 4.2930 4.3452 4.5903 4.7116 4.9826 5.3181 5.8893 5.9337 5.9785 6.2092 7.3201 7.4261 8.4541 8.4675 11.0618 11.1079 13.1474 13.4907 14.0041 14.0402 14.7124 14.7888 k = 0.5819 0.0523 0.3379 ( 8749 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8530 -14.2515 -14.2510 -14.2499 -14.2492 -11.2955 -11.2942 -11.2770 -11.2752 -11.2721 -11.2713 -1.1946 -1.1716 3.9482 4.1825 4.3052 4.3535 4.5908 4.7143 4.9845 5.3396 5.8807 5.9344 5.9761 6.2195 7.2425 7.3493 8.3834 8.4006 11.0752 11.1124 13.1977 13.5733 14.0891 14.1330 14.7195 14.7903 k = 0.5862 0.0398 0.3449 ( 8750 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8530 -14.2515 -14.2510 -14.2499 -14.2492 -11.2954 -11.2941 -11.2769 -11.2750 -11.2722 -11.2713 -1.1829 -1.1592 3.9349 4.1784 4.3173 4.3620 4.5897 4.7167 4.9903 5.3620 5.8714 5.9352 5.9747 6.2298 7.1703 7.2786 8.3148 8.3352 11.0856 11.1143 13.2325 13.6271 14.1684 14.2047 14.7657 14.8269 k = 0.5905 0.0274 0.3519 ( 8751 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2515 -14.2510 -14.2499 -14.2491 -11.2954 -11.2941 -11.2769 -11.2748 -11.2723 -11.2713 -1.1715 -1.1472 3.9214 4.1722 4.3292 4.3706 4.5871 4.7187 4.9999 5.3849 5.8616 5.9360 5.9742 6.2399 7.1040 7.2143 8.2484 8.2715 11.0937 11.1145 13.2479 13.6426 14.2541 14.2605 14.8483 14.8945 k = 0.5948 0.0149 0.3590 ( 8751 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2515 -14.2509 -14.2499 -14.2491 -11.2954 -11.2940 -11.2768 -11.2746 -11.2725 -11.2713 -1.1605 -1.1357 3.9078 4.1640 4.3407 4.3792 4.5833 4.7203 5.0135 5.4083 5.8519 5.9369 5.9744 6.2491 7.0440 7.1567 8.1845 8.2097 11.0999 11.1133 13.2422 13.6206 14.3117 14.3535 14.9562 14.9831 k = 0.5991 0.0025 0.3660 ( 8747 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2515 -14.2509 -14.2499 -14.2490 -11.2953 -11.2940 -11.2767 -11.2744 -11.2726 -11.2713 -1.1501 -1.1249 3.8942 4.1536 4.3519 4.3876 4.5788 4.7215 5.0307 5.4320 5.8425 5.9381 5.9753 6.2568 6.9911 7.1060 8.1233 8.1501 11.1048 11.1112 13.2164 13.5706 14.3662 14.4648 15.0784 15.0820 k = 0.6034-0.0100 0.3731 ( 8753 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2515 -14.2509 -14.2499 -14.2490 -11.2953 -11.2940 -11.2767 -11.2742 -11.2727 -11.2713 -1.1403 -1.1149 3.8807 4.1413 4.3626 4.3956 4.5743 4.7223 5.0513 5.4556 5.8337 5.9397 5.9768 6.2623 6.9460 7.0623 8.0651 8.0929 11.1085 11.1086 13.1736 13.5025 14.4264 14.5825 15.1830 15.2065 k = 0.6078-0.0224 0.3801 ( 8759 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2515 -14.2508 -14.2500 -14.2489 -11.2953 -11.2940 -11.2766 -11.2740 -11.2728 -11.2712 -1.1315 -1.1059 3.8674 4.1271 4.3726 4.4028 4.5703 4.7225 5.0750 5.4789 5.8260 5.9416 5.9787 6.2648 6.9094 7.0259 8.0101 8.0382 11.1056 11.1117 13.1177 13.4236 14.4909 14.7008 15.2800 15.3346 k = 0.6121-0.0348 0.3871 ( 8748 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2515 -14.2508 -14.2500 -14.2489 -11.2952 -11.2940 -11.2766 -11.2738 -11.2729 -11.2712 -1.1236 -1.0979 3.8544 4.1113 4.3820 4.4088 4.5675 4.7222 5.1013 5.5017 5.8196 5.9440 5.9812 6.2634 6.8819 6.9967 7.9586 7.9863 11.1027 11.1145 13.0523 13.3385 14.5568 14.8140 15.3694 15.4576 k = 0.6164-0.0473 0.3942 ( 8752 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2515 -14.2508 -14.2500 -14.2489 -11.2952 -11.2940 -11.2766 -11.2737 -11.2729 -11.2712 -1.1168 -1.0912 3.8419 4.0942 4.3905 4.4135 4.5663 4.7215 5.1298 5.5236 5.8148 5.9469 5.9843 6.2578 6.8639 6.9748 7.9109 7.9375 11.1000 11.1172 12.9804 13.2501 14.6210 14.9161 15.4508 15.5709 k = 0.6207-0.0597 0.4012 ( 8758 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2515 -14.2507 -14.2500 -14.2489 -11.2952 -11.2940 -11.2765 -11.2736 -11.2730 -11.2712 -1.1112 -1.0858 3.8301 4.0760 4.3981 4.4165 4.5670 4.7201 5.1603 5.5442 5.8122 5.9505 5.9880 6.2477 6.8553 6.9602 7.8672 7.8919 11.0976 11.1199 12.9044 13.1603 14.6805 15.0008 15.5266 15.6697 k = 0.6250-0.0722 0.4082 ( 8744 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2515 -14.2507 -14.2500 -14.2489 -11.2952 -11.2940 -11.2765 -11.2736 -11.2729 -11.2712 -1.1070 -1.0818 3.8190 4.0571 4.4047 4.4180 4.5698 4.7183 5.1924 5.5630 5.8119 5.9548 5.9926 6.2336 6.8558 6.9526 7.8278 7.8497 11.0957 11.1229 12.8260 13.0703 14.7329 15.0631 15.5995 15.7503 k = 0.6250-0.0722 0.4082 ( 8744 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2515 -14.2507 -14.2500 -14.2489 -11.2952 -11.2940 -11.2765 -11.2736 -11.2729 -11.2712 -1.1070 -1.0818 3.8190 4.0571 4.4047 4.4180 4.5698 4.7183 5.1924 5.5630 5.8119 5.9548 5.9926 6.2336 6.8558 6.9526 7.8278 7.8497 11.0957 11.1229 12.8260 13.0703 14.7329 15.0631 15.5995 15.7503 k = 0.6176-0.0679 0.4203 ( 8754 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2515 -14.2507 -14.2500 -14.2489 -11.2952 -11.2940 -11.2765 -11.2736 -11.2729 -11.2712 -1.1068 -1.0817 3.8198 4.0583 4.4011 4.4201 4.5687 4.7195 5.1890 5.5663 5.8120 5.9522 5.9964 6.2338 6.8534 6.9523 7.8232 7.8475 11.1036 11.1313 12.8250 13.0700 14.7194 15.0467 15.5849 15.7905 k = 0.6103-0.0637 0.4323 ( 8749 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2515 -14.2507 -14.2500 -14.2488 -11.2952 -11.2940 -11.2765 -11.2736 -11.2729 -11.2712 -1.1064 -1.0811 3.8223 4.0618 4.3933 4.4238 4.5657 4.7226 5.1793 5.5758 5.8120 5.9466 6.0059 6.2347 6.8463 6.9511 7.8101 7.8406 11.1270 11.1562 12.8220 13.0691 14.6816 14.9995 15.5698 15.8771 k = 0.6029-0.0594 0.4443 ( 8747 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2515 -14.2507 -14.2501 -14.2488 -11.2952 -11.2940 -11.2764 -11.2736 -11.2729 -11.2712 -1.1056 -1.0802 3.8265 4.0677 4.3832 4.4271 4.5611 4.7274 5.1644 5.5902 5.8120 5.9406 6.0184 6.2361 6.8348 6.9489 7.7901 7.8286 11.1653 11.1970 12.8168 13.0676 14.6254 14.9274 15.5685 15.9779 k = 0.5956-0.0552 0.4563 ( 8753 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2515 -14.2507 -14.2501 -14.2488 -11.2952 -11.2940 -11.2764 -11.2736 -11.2729 -11.2713 -1.1046 -1.0789 3.8322 4.0758 4.3714 4.4296 4.5552 4.7331 5.1457 5.6082 5.8120 5.9354 6.0327 6.2380 6.8192 6.9452 7.7647 7.8119 11.2177 11.2525 12.8095 13.0655 14.5568 14.8395 15.5728 16.0579 k = 0.5882-0.0509 0.4683 ( 8749 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2515 -14.2507 -14.2501 -14.2488 -11.2951 -11.2940 -11.2764 -11.2736 -11.2729 -11.2713 -1.1033 -1.0773 3.8394 4.0863 4.3580 4.4315 4.5483 4.7391 5.1247 5.6283 5.8120 5.9318 6.0482 6.2406 6.7998 6.9398 7.7352 7.7915 11.2827 11.3211 12.7999 13.0627 14.4807 14.7433 15.5706 16.0192 k = 0.5809-0.0467 0.4803 ( 8743 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2514 -14.2508 -14.2501 -14.2488 -11.2951 -11.2939 -11.2764 -11.2735 -11.2729 -11.2713 -1.1019 -1.0755 3.8481 4.0989 4.3432 4.4327 4.5407 4.7449 5.1025 5.6490 5.8120 5.9300 6.0647 6.2437 6.7768 6.9323 7.7033 7.7685 11.3588 11.4013 12.7878 13.0593 14.4008 14.6440 15.5531 15.9197 k = 0.5735-0.0425 0.4923 ( 8743 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2514 -14.2508 -14.2501 -14.2487 -11.2951 -11.2939 -11.2764 -11.2735 -11.2729 -11.2714 -1.1002 -1.0734 3.8580 4.1136 4.3273 4.4334 4.5322 4.7499 5.0802 5.6693 5.8119 5.9305 6.0820 6.2475 6.7508 6.9227 7.6703 7.7441 11.4441 11.4911 12.7729 13.0554 14.3195 14.5447 15.5174 15.8140 k = 0.5662-0.0382 0.5043 ( 8745 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2514 -14.2508 -14.2501 -14.2487 -11.2951 -11.2939 -11.2763 -11.2735 -11.2729 -11.2715 -1.0984 -1.0712 3.8691 4.1303 4.3107 4.4337 4.5229 4.7537 5.0586 5.6883 5.8116 5.9335 6.0999 6.2517 6.7221 6.9107 7.6377 7.7194 11.5366 11.5886 12.7551 13.0512 14.2391 14.4476 15.4662 15.7097 k = 0.5588-0.0340 0.5163 ( 8751 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2514 -14.2509 -14.2501 -14.2487 -11.2950 -11.2939 -11.2763 -11.2735 -11.2729 -11.2715 -1.0964 -1.0689 3.8811 4.1488 4.2938 4.4336 4.5124 4.7562 5.0387 5.7053 5.8110 5.9389 6.1182 6.2564 6.6913 6.8965 7.6066 7.6955 11.6339 11.6915 12.7342 13.0470 14.1613 14.3543 15.4050 15.6089 k = 0.5515-0.0297 0.5283 ( 8747 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2514 -14.2509 -14.2501 -14.2487 -11.2950 -11.2939 -11.2763 -11.2735 -11.2729 -11.2716 -1.0945 -1.0665 3.8939 4.1687 4.2773 4.4332 4.5006 4.7570 5.0208 5.7200 5.8099 5.9467 6.1368 6.2614 6.6593 6.8805 7.5782 7.6730 11.7333 11.7974 12.7099 13.0433 14.0878 14.2659 15.3399 15.5131 k = 0.5441-0.0255 0.5403 ( 8756 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2513 -14.2509 -14.2501 -14.2486 -11.2950 -11.2938 -11.2763 -11.2734 -11.2728 -11.2717 -1.0926 -1.0642 3.9069 4.1889 4.2624 4.4326 4.4871 4.7564 5.0055 5.7324 5.8084 5.9561 6.1554 6.2664 6.6271 6.8630 7.5532 7.6528 11.8317 11.9039 12.6822 13.0409 14.0203 14.1836 15.2756 15.4234 k = 0.5368-0.0212 0.5523 ( 8758 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2513 -14.2510 -14.2501 -14.2486 -11.2950 -11.2938 -11.2763 -11.2734 -11.2728 -11.2717 -1.0907 -1.0620 3.9198 4.2059 4.2532 4.4316 4.4717 4.7545 4.9929 5.7427 5.8061 5.9665 6.1739 6.2708 6.5959 6.8450 7.5321 7.6351 11.9251 12.0082 12.6512 13.0409 13.9605 14.1081 15.2159 15.3410 k = 0.5294-0.0170 0.5643 ( 8752 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2513 -14.2510 -14.2501 -14.2486 -11.2950 -11.2938 -11.2762 -11.2734 -11.2728 -11.2718 -1.0890 -1.0600 3.9321 4.2098 4.2597 4.4303 4.4543 4.7519 4.9829 5.7516 5.8030 5.9767 6.1920 6.2740 6.5671 6.8274 7.5151 7.6204 12.0090 12.1073 12.6171 13.0442 13.9108 14.0403 15.1641 15.2670 k = 0.5221-0.0127 0.5764 ( 8756 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2512 -14.2510 -14.2501 -14.2486 -11.2949 -11.2938 -11.2762 -11.2734 -11.2728 -11.2719 -1.0876 -1.0583 3.9430 4.2027 4.2805 4.4270 4.4367 4.7491 4.9755 5.7594 5.7991 5.9858 6.2094 6.2751 6.5426 6.8115 7.5023 7.6088 12.0785 12.1980 12.5807 13.0512 13.8735 13.9813 15.1229 15.2029 k = 0.5147-0.0085 0.5884 ( 8756 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2512 -14.2511 -14.2501 -14.2486 -11.2949 -11.2938 -11.2762 -11.2734 -11.2727 -11.2719 -1.0864 -1.0569 3.9517 4.1944 4.3060 4.4100 4.4304 4.7466 4.9704 5.7666 5.7943 5.9930 6.2256 6.2730 6.5239 6.7986 7.4934 7.6004 12.1294 12.2759 12.5443 13.0609 13.8515 13.9316 15.0948 15.1504 k = 0.5074-0.0042 0.6004 ( 8760 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2512 -14.2511 -14.2501 -14.2486 -11.2949 -11.2938 -11.2762 -11.2734 -11.2727 -11.2719 -1.0857 -1.0560 3.9574 4.1886 4.3331 4.3863 4.4289 4.7449 4.9674 5.7737 5.7885 5.9975 6.2400 6.2673 6.5124 6.7901 7.4884 7.5954 12.1594 12.3332 12.5132 13.0700 13.8472 13.8922 15.0822 15.1113 k = 0.5000 0.0000 0.6124 ( 8760 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2512 -14.2511 -14.2501 -14.2486 -11.2949 -11.2938 -11.2762 -11.2734 -11.2727 -11.2719 -1.0854 -1.0557 3.9593 4.1866 4.3600 4.3607 4.4284 4.7443 4.9664 5.7795 5.7830 5.9990 6.2487 6.2615 6.5086 6.7870 7.4868 7.5937 12.1690 12.3553 12.5001 13.0741 13.8575 13.8676 15.0847 15.0906 k = 0.5000 0.0000 0.6124 ( 8760 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2512 -14.2511 -14.2501 -14.2486 -11.2949 -11.2938 -11.2762 -11.2734 -11.2727 -11.2719 -1.0854 -1.0557 3.9593 4.1866 4.3600 4.3607 4.4284 4.7443 4.9664 5.7795 5.7830 5.9990 6.2487 6.2615 6.5086 6.7870 7.4868 7.5937 12.1690 12.3553 12.5001 13.0741 13.8575 13.8676 15.0847 15.0906 k = 0.5000 0.0085 0.6004 ( 8756 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2512 -14.2511 -14.2501 -14.2486 -11.2949 -11.2938 -11.2762 -11.2734 -11.2727 -11.2719 -1.0860 -1.0564 3.9594 4.1866 4.3597 4.3606 4.4296 4.7446 4.9657 5.7693 5.7911 5.9960 6.2356 6.2730 6.5128 6.7912 7.4907 7.5981 12.1636 12.3285 12.5257 13.0774 13.8279 13.8963 15.0723 15.1131 k = 0.5000 0.0170 0.5884 ( 8754 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2512 -14.2511 -14.2501 -14.2486 -11.2949 -11.2938 -11.2762 -11.2734 -11.2728 -11.2719 -1.0879 -1.0583 3.9596 4.1865 4.3586 4.3604 4.4334 4.7455 4.9639 5.7550 5.7992 5.9879 6.2170 6.2861 6.5256 6.8036 7.5023 7.6113 12.1476 12.2736 12.5769 13.0868 13.7944 13.9282 15.0682 15.1471 k = 0.5000 0.0255 0.5764 ( 8758 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2512 -14.2511 -14.2501 -14.2486 -11.2949 -11.2938 -11.2762 -11.2734 -11.2728 -11.2719 -1.0909 -1.0615 3.9601 4.1864 4.3567 4.3603 4.4394 4.7469 4.9609 5.7375 5.8061 5.9765 6.1977 6.2950 6.5474 6.8232 7.5217 7.6328 12.1221 12.2107 12.6330 13.1002 13.7631 13.9588 15.0754 15.1886 k = 0.5000 0.0340 0.5643 ( 8754 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2512 -14.2511 -14.2501 -14.2486 -11.2950 -11.2938 -11.2763 -11.2735 -11.2728 -11.2718 -1.0951 -1.0658 3.9608 4.1862 4.3540 4.3601 4.4476 4.7486 4.9569 5.7164 5.8121 5.9641 6.1780 6.2990 6.5780 6.8491 7.5487 7.6622 12.0886 12.1452 12.6879 13.1147 13.7366 13.9890 15.0939 15.2359 k = 0.5000 0.0425 0.5523 ( 8760 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2512 -14.2511 -14.2501 -14.2486 -11.2950 -11.2938 -11.2763 -11.2736 -11.2728 -11.2718 -1.1004 -1.0714 3.9617 4.1860 4.3506 4.3598 4.4577 4.7505 4.9521 5.6916 5.8175 5.9525 6.1583 6.2985 6.6165 6.8804 7.5834 7.6990 12.0486 12.0790 12.7391 13.1266 13.7177 14.0199 15.1232 15.2870 k = 0.5000 0.0509 0.5403 ( 8758 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2512 -14.2511 -14.2501 -14.2487 -11.2950 -11.2938 -11.2764 -11.2737 -11.2728 -11.2717 -1.1068 -1.0781 3.9630 4.1857 4.3465 4.3594 4.4692 4.7524 4.9467 5.6633 5.8226 5.9429 6.1389 6.2944 6.6616 6.9162 7.6253 7.7423 12.0026 12.0134 12.7845 13.1324 13.7095 14.0535 15.1621 15.3391 k = 0.5000 0.0594 0.5283 ( 8762 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2512 -14.2511 -14.2501 -14.2487 -11.2951 -11.2938 -11.2764 -11.2738 -11.2727 -11.2717 -1.1141 -1.0858 3.9646 4.1853 4.3419 4.3589 4.4819 4.7540 4.9412 5.6322 5.8275 5.9357 6.1199 6.2877 6.7121 6.9560 7.6742 7.7918 11.9438 11.9571 12.8229 13.1295 13.7140 14.0914 15.2091 15.3882 k = 0.5000 0.0679 0.5163 ( 8752 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2513 -14.2511 -14.2500 -14.2488 -11.2951 -11.2939 -11.2765 -11.2740 -11.2727 -11.2716 -1.1224 -1.0945 3.9667 4.1848 4.3367 4.3581 4.4953 4.7548 4.9359 5.5990 5.8326 5.9309 6.1018 6.2793 6.7674 6.9994 7.7295 7.8466 11.8781 11.9050 12.8529 13.1168 13.7318 14.1351 15.2622 15.4267 k = 0.5000 0.0764 0.5043 ( 8752 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2513 -14.2512 -14.2500 -14.2488 -11.2952 -11.2939 -11.2765 -11.2742 -11.2726 -11.2716 -1.1315 -1.1040 3.9692 4.1843 4.3309 4.3570 4.5090 4.7547 4.9314 5.5646 5.8379 5.9281 6.0847 6.2697 6.8267 7.0464 7.7906 7.9062 11.8123 11.8513 12.8740 13.0951 13.7619 14.1857 15.3167 15.4419 k = 0.5000 0.0849 0.4923 ( 8754 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2513 -14.2512 -14.2500 -14.2488 -11.2952 -11.2939 -11.2766 -11.2743 -11.2725 -11.2715 -1.1413 -1.1144 3.9722 4.1836 4.3246 4.3557 4.5225 4.7533 4.9283 5.5297 5.8437 5.9270 6.0687 6.2595 6.8898 7.0970 7.8570 7.9700 11.7468 11.7963 12.8862 13.0661 13.8016 14.2435 15.3503 15.4301 k = 0.5000 0.0934 0.4803 ( 8758 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2513 -14.2512 -14.2500 -14.2489 -11.2953 -11.2940 -11.2767 -11.2745 -11.2724 -11.2715 -1.1517 -1.1254 3.9757 4.1828 4.3178 4.3540 4.5353 4.7503 4.9270 5.4950 5.8499 5.9273 6.0540 6.2490 6.9565 7.1512 7.9281 8.0376 11.6815 11.7401 12.8899 13.0319 13.8476 14.3083 15.2863 15.4431 k = 0.5000 0.1019 0.4683 ( 8754 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2513 -14.2512 -14.2500 -14.2490 -11.2953 -11.2940 -11.2767 -11.2747 -11.2723 -11.2715 -1.1626 -1.1370 3.9796 4.1818 4.3105 4.3518 4.5470 4.7459 4.9278 5.4610 5.8565 5.9287 6.0407 6.2385 7.0266 7.2093 8.0031 8.1083 11.6165 11.6831 12.8860 12.9943 13.8960 14.3792 15.1577 15.4004 k = 0.5000 0.1104 0.4563 ( 8754 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2513 -14.2512 -14.2500 -14.2490 -11.2954 -11.2941 -11.2768 -11.2749 -11.2722 -11.2715 -1.1740 -1.1491 3.9841 4.1807 4.3027 4.3492 4.5571 4.7403 4.9309 5.4282 5.8635 5.9309 6.0290 6.2282 7.1000 7.2714 8.0816 8.1818 11.5517 11.6254 12.8756 12.9547 13.9419 14.4548 15.0038 15.2790 k = 0.5000 0.1189 0.4443 ( 8756 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8530 -14.2514 -14.2512 -14.2499 -14.2491 -11.2954 -11.2941 -11.2769 -11.2751 -11.2722 -11.2714 -1.1856 -1.1615 3.9890 4.1794 4.2945 4.3460 4.5654 4.7339 4.9361 5.3967 5.8705 5.9336 6.0188 6.2182 7.1768 7.3378 8.1630 8.2575 11.4869 11.5672 12.8599 12.9143 13.9787 14.5318 14.8396 15.1461 k = 0.5000 0.1274 0.4323 ( 8748 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8530 -14.2514 -14.2512 -14.2499 -14.2492 -11.2955 -11.2942 -11.2769 -11.2753 -11.2721 -11.2714 -1.1975 -1.1742 3.9944 4.1779 4.2859 4.3422 4.5715 4.7270 4.9433 5.3669 5.8775 5.9365 6.0105 6.2086 7.2567 7.4085 8.2467 8.3351 11.4219 11.5083 12.8399 12.8739 13.9974 14.5835 14.6962 15.0286 k = 0.5000 0.1358 0.4203 ( 8740 PWs) bands (ev): -37.2630 -37.2630 -36.8530 -36.8530 -14.2514 -14.2512 -14.2499 -14.2492 -11.2955 -11.2943 -11.2770 -11.2755 -11.2720 -11.2714 -1.2094 -1.1870 4.0003 4.1762 4.2770 4.3377 4.5754 4.7203 4.9521 5.3390 5.8842 5.9392 6.0043 6.1996 7.3398 7.4837 8.3322 8.4141 11.3566 11.4487 12.8163 12.8344 13.9876 14.4621 14.7234 14.9413 k = 0.5000 0.1443 0.4082 ( 8762 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8530 -14.2514 -14.2512 -14.2499 -14.2493 -11.2956 -11.2943 -11.2771 -11.2757 -11.2719 -11.2714 -1.2213 -1.1999 4.0066 4.1743 4.2678 4.3324 4.5773 4.7138 4.9622 5.3130 5.8904 5.9412 6.0006 6.1910 7.4258 7.5633 8.4189 8.4941 11.2907 11.3882 12.7879 12.7984 13.9418 14.2879 14.8011 14.8923 k = 0.5000 0.1528 0.3962 ( 8746 PWs) bands (ev): -37.2630 -37.2630 -36.8530 -36.8530 -14.2514 -14.2512 -14.2499 -14.2494 -11.2956 -11.2944 -11.2772 -11.2758 -11.2718 -11.2713 -1.2331 -1.2126 4.0132 4.1722 4.2583 4.3263 4.5775 4.7079 4.9732 5.2891 5.8961 5.9421 5.9998 6.1830 7.5148 7.6473 8.5064 8.5748 11.2240 11.3265 12.7531 12.7684 13.8607 14.1109 14.8768 14.8814 k = 0.5000 0.1613 0.3842 ( 8758 PWs) bands (ev): -37.2630 -37.2630 -36.8530 -36.8530 -14.2514 -14.2512 -14.2499 -14.2494 -11.2957 -11.2945 -11.2772 -11.2760 -11.2717 -11.2713 -1.2447 -1.2252 4.0203 4.1699 4.2486 4.3193 4.5765 4.7023 4.9847 5.2673 5.9011 5.9416 6.0018 6.1756 7.6064 7.7355 8.5942 8.6558 11.1561 11.2633 12.7172 12.7402 13.7530 13.9362 14.8934 14.9477 k = 0.5000 0.1698 0.3722 ( 8756 PWs) bands (ev): -37.2631 -37.2630 -36.8530 -36.8530 -14.2514 -14.2512 -14.2499 -14.2495 -11.2957 -11.2946 -11.2773 -11.2762 -11.2716 -11.2713 -1.2559 -1.2375 4.0277 4.1674 4.2389 4.3115 4.5747 4.6970 4.9965 5.2475 5.9054 5.9400 6.0061 6.1688 7.7004 7.8277 8.6816 8.7370 11.0868 11.1982 12.6825 12.7120 13.6292 13.7663 14.9198 15.0033 k = 0.5000 0.1783 0.3602 ( 8766 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2513 -14.2512 -14.2500 -14.2496 -11.2958 -11.2947 -11.2774 -11.2763 -11.2716 -11.2713 -1.2667 -1.2495 4.0355 4.1648 4.2293 4.3028 4.5727 4.6918 5.0083 5.2298 5.9091 5.9378 6.0121 6.1624 7.7966 7.9234 8.7681 8.8181 11.0158 11.1305 12.6495 12.6839 13.4975 13.6027 14.9469 15.0397 k = 0.5000 0.1868 0.3482 ( 8760 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2513 -14.2512 -14.2500 -14.2497 -11.2958 -11.2948 -11.2774 -11.2765 -11.2715 -11.2713 -1.2770 -1.2610 4.0435 4.1621 4.2197 4.2934 4.5709 4.6864 5.0199 5.2139 5.9123 5.9353 6.0192 6.1566 7.8946 8.0221 8.8531 8.8992 10.9426 11.0598 12.6185 12.6563 13.3636 13.4471 14.9650 15.0536 k = 0.5000 0.1953 0.3362 ( 8754 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2513 -14.2512 -14.2500 -14.2497 -11.2958 -11.2949 -11.2775 -11.2766 -11.2714 -11.2712 -1.2868 -1.2719 4.0519 4.1593 4.2104 4.2833 4.5696 4.6808 5.0312 5.1998 5.9149 5.9330 6.0268 6.1511 7.9939 8.1229 8.9359 8.9803 10.8670 10.9855 12.5896 12.6293 13.2316 13.3007 14.9675 15.0460 k = 0.5000 0.2038 0.3242 ( 8762 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2513 -14.2512 -14.2500 -14.2498 -11.2959 -11.2950 -11.2775 -11.2768 -11.2714 -11.2712 -1.2958 -1.2822 4.0604 4.1564 4.2014 4.2727 4.5690 4.6749 5.0419 5.1874 5.9170 5.9308 6.0346 6.1461 8.0940 8.2250 9.0162 9.0615 10.7887 10.9069 12.5629 12.6032 13.1047 13.1645 14.9521 15.0215 k = 0.5000 0.2123 0.3122 ( 8768 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2513 -14.2512 -14.2500 -14.2499 -11.2959 -11.2951 -11.2776 -11.2769 -11.2713 -11.2712 -1.3042 -1.2919 4.0693 4.1537 4.1928 4.2617 4.5693 4.6687 5.0520 5.1764 5.9187 5.9289 6.0425 6.1413 8.1940 8.3270 9.0940 9.1426 10.7074 10.8235 12.5387 12.5782 12.9853 13.0392 14.9215 14.9852 k = 0.5000 0.2208 0.3002 ( 8764 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2513 -14.2512 -14.2501 -14.2499 -11.2959 -11.2951 -11.2776 -11.2770 -11.2713 -11.2712 -1.3118 -1.3007 4.0784 4.1510 4.1848 4.2504 4.5704 4.6621 5.0615 5.1668 5.9201 5.9273 6.0503 6.1368 8.2931 8.4272 9.1700 9.2234 10.6231 10.7349 12.5169 12.5545 12.8757 12.9252 14.8816 14.9416 k = 0.5000 0.2292 0.2882 ( 8764 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2512 -14.2512 -14.2501 -14.2500 -11.2959 -11.2952 -11.2776 -11.2771 -11.2712 -11.2712 -1.3185 -1.3088 4.0876 4.1486 4.1773 4.2389 4.5724 4.6553 5.0704 5.1584 5.9211 5.9259 6.0578 6.1325 8.3899 8.5236 9.2453 9.3038 10.5358 10.6410 12.4977 12.5322 12.7776 12.8231 14.8380 14.8943 k = 0.5000 0.2377 0.2762 ( 8768 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2512 -14.2512 -14.2501 -14.2500 -11.2959 -11.2953 -11.2776 -11.2772 -11.2712 -11.2711 -1.3243 -1.3159 4.0971 4.1464 4.1706 4.2274 4.5752 4.6483 5.0785 5.1509 5.9219 5.9249 6.0651 6.1282 8.4829 8.6133 9.3214 9.3836 10.4458 10.5419 12.4813 12.5116 12.6923 12.7333 14.7952 14.8466 k = 0.5000 0.2462 0.2642 ( 8758 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2512 -14.2512 -14.2501 -14.2501 -11.2959 -11.2954 -11.2777 -11.2773 -11.2711 -11.2711 -1.3292 -1.3222 4.1067 4.1446 4.1646 4.2159 4.5788 4.6411 5.0861 5.1441 5.9224 5.9242 6.0720 6.1240 8.5705 8.6931 9.4001 9.4634 10.3534 10.4379 12.4676 12.4927 12.6207 12.6562 14.7562 14.8014 k = 0.5000 0.2547 0.2522 ( 8754 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2512 -14.2512 -14.2501 -14.2501 -11.2959 -11.2955 -11.2777 -11.2774 -11.2711 -11.2711 -1.3331 -1.3275 4.1163 4.1432 4.1595 4.2045 4.5830 4.6338 5.0930 5.1380 5.9227 5.9236 6.0786 6.1198 8.6504 8.7596 9.4834 9.5436 10.2594 10.3298 12.4566 12.4755 12.5634 12.5922 14.7230 14.7608 k = 0.5000 0.2632 0.2401 ( 8756 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2512 -14.2512 -14.2501 -14.2501 -11.2959 -11.2956 -11.2777 -11.2775 -11.2711 -11.2711 -1.3360 -1.3318 4.1260 4.1423 4.1555 4.1933 4.5880 4.6266 5.0995 5.1323 5.9229 5.9233 6.0848 6.1155 8.7203 8.8098 9.5728 9.6250 10.1646 10.2187 12.4483 12.4602 12.5207 12.5419 14.6972 14.7265 k = 0.5000 0.2717 0.2281 ( 8758 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2512 -14.2512 -14.2502 -14.2501 -11.2958 -11.2956 -11.2777 -11.2775 -11.2711 -11.2711 -1.3380 -1.3351 4.1349 4.1420 4.1531 4.1823 4.5935 4.6195 5.1054 5.1270 5.9230 5.9231 6.0907 6.1110 8.7777 8.8414 9.6690 9.7083 10.0701 10.1061 12.4423 12.4474 12.4923 12.5056 14.6797 14.6996 k = 0.5000 0.2802 0.2161 ( 8756 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2512 -14.2512 -14.2502 -14.2502 -11.2958 -11.2957 -11.2776 -11.2776 -11.2711 -11.2711 -1.3388 -1.3374 4.1411 4.1421 4.1545 4.1717 4.5994 4.6125 5.1111 5.1217 5.9230 5.9230 6.0962 6.1063 8.8203 8.8535 9.7712 9.7937 9.9772 9.9937 12.4378 12.4387 12.4772 12.4836 14.6710 14.6811 k = 0.5000 0.2887 0.2041 ( 8754 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2512 -14.2512 -14.2502 -14.2502 -11.2957 -11.2957 -11.2776 -11.2776 -11.2711 -11.2711 -1.3386 -1.3386 4.1424 4.1424 4.1618 4.1618 4.6058 4.6058 5.1165 5.1165 5.9230 5.9230 6.1014 6.1014 8.8461 8.8461 9.8649 9.8649 9.9000 9.9000 12.4358 12.4358 12.4745 12.4745 14.6715 14.6715 k = 0.5000 0.2887 0.2041 ( 8754 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2512 -14.2512 -14.2502 -14.2502 -11.2957 -11.2957 -11.2776 -11.2776 -11.2711 -11.2711 -1.3386 -1.3386 4.1424 4.1424 4.1618 4.1618 4.6058 4.6058 5.1165 5.1165 5.9230 5.9230 6.1014 6.1014 8.8461 8.8461 9.8649 9.8649 9.9000 9.9000 12.4358 12.4358 12.4745 12.4745 14.6715 14.6715 k = 0.4957 0.2862 0.2182 ( 8756 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2512 -14.2512 -14.2502 -14.2502 -11.2958 -11.2957 -11.2776 -11.2776 -11.2711 -11.2711 -1.3388 -1.3374 4.1410 4.1421 4.1545 4.1718 4.5993 4.6126 5.1110 5.1218 5.9230 5.9230 6.0961 6.1064 8.8198 8.8534 9.7696 9.7924 9.9786 9.9955 12.4383 12.4383 12.4774 12.4838 14.6711 14.6813 k = 0.4914 0.2837 0.2323 ( 8760 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2512 -14.2512 -14.2502 -14.2501 -11.2958 -11.2956 -11.2777 -11.2775 -11.2711 -11.2711 -1.3379 -1.3350 4.1347 4.1420 4.1531 4.1826 4.5933 4.6197 5.1053 5.1271 5.9230 5.9231 6.0905 6.1111 8.7761 8.8407 9.6660 9.7058 10.0730 10.1095 12.4447 12.4453 12.4936 12.5060 14.6801 14.7003 k = 0.4871 0.2812 0.2464 ( 8750 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2512 -14.2512 -14.2501 -14.2501 -11.2959 -11.2956 -11.2777 -11.2775 -11.2711 -11.2711 -1.3359 -1.3317 4.1254 4.1425 4.1556 4.1938 4.5877 4.6269 5.0992 5.1326 5.9230 5.9232 6.0845 6.1157 8.7173 8.8079 9.5686 9.6215 10.1688 10.2238 12.4536 12.4561 12.5243 12.5417 14.6983 14.7279 k = 0.4828 0.2787 0.2604 ( 8754 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2512 -14.2512 -14.2501 -14.2501 -11.2959 -11.2955 -11.2777 -11.2774 -11.2711 -11.2711 -1.3329 -1.3272 4.1156 4.1436 4.1597 4.2052 4.5828 4.6343 5.0926 5.1384 5.9230 5.9234 6.0782 6.1200 8.6457 8.7559 9.4783 9.5394 10.2646 10.3361 12.4653 12.4714 12.5691 12.5905 14.7250 14.7630 k = 0.4784 0.2762 0.2745 ( 8750 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2512 -14.2512 -14.2501 -14.2501 -11.2959 -11.2954 -11.2777 -11.2773 -11.2711 -11.2711 -1.3289 -1.3218 4.1055 4.1454 4.1649 4.2167 4.5785 4.6416 5.0856 5.1446 5.9229 5.9237 6.0715 6.1244 8.5638 8.6870 9.3948 9.4589 10.3589 10.4446 12.4806 12.4921 12.6270 12.6514 14.7595 14.8043 k = 0.4741 0.2737 0.2886 ( 8762 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2512 -14.2512 -14.2501 -14.2500 -11.2959 -11.2953 -11.2776 -11.2772 -11.2712 -11.2711 -1.3238 -1.3153 4.0954 4.1478 4.1709 4.2283 4.5749 4.6489 5.0779 5.1514 5.9227 5.9241 6.0644 6.1286 8.4740 8.6044 9.3167 9.3793 10.4503 10.5475 12.5003 12.5195 12.6969 12.7233 14.8003 14.8497 k = 0.4698 0.2713 0.3027 ( 8760 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2513 -14.2512 -14.2501 -14.2500 -11.2959 -11.2952 -11.2776 -11.2771 -11.2712 -11.2712 -1.3178 -1.3079 4.0853 4.1507 4.1779 4.2398 4.5722 4.6561 5.0697 5.1589 5.9224 5.9247 6.0569 6.1330 8.3786 8.5115 9.2424 9.3004 10.5377 10.6433 12.5253 12.5548 12.7776 12.8052 14.8458 14.8963 k = 0.4655 0.2688 0.3167 ( 8771 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2513 -14.2512 -14.2501 -14.2499 -11.2959 -11.2951 -11.2776 -11.2770 -11.2713 -11.2712 -1.3109 -1.2997 4.0751 4.1542 4.1856 4.2512 4.5703 4.6630 5.0609 5.1674 5.9219 5.9253 6.0492 6.1375 8.2793 8.4117 9.1702 9.2216 10.6198 10.7306 12.5562 12.5991 12.8681 12.8960 14.8934 14.9403 k = 0.4612 0.2663 0.3308 ( 8765 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2513 -14.2512 -14.2500 -14.2498 -11.2959 -11.2950 -11.2775 -11.2769 -11.2713 -11.2712 -1.3031 -1.2906 4.0648 4.1581 4.1940 4.2624 4.5694 4.6696 5.0516 5.1768 5.9213 5.9260 6.0411 6.1423 8.1778 8.3076 9.0992 9.1429 10.6956 10.8085 12.5937 12.6533 12.9673 12.9945 14.9394 14.9763 k = 0.4569 0.2638 0.3449 ( 8767 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2513 -14.2512 -14.2500 -14.2498 -11.2959 -11.2949 -11.2775 -11.2768 -11.2714 -11.2712 -1.2945 -1.2807 4.0543 4.1623 4.2031 4.2732 4.5695 4.6759 5.0418 5.1874 5.9205 5.9269 6.0328 6.1474 8.0752 8.2014 9.0285 9.0642 10.7644 10.8762 12.6379 12.7179 13.0742 13.0998 14.9790 14.9984 k = 0.4526 0.2613 0.3590 ( 8771 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2514 -14.2512 -14.2500 -14.2497 -11.2958 -11.2948 -11.2775 -11.2766 -11.2714 -11.2713 -1.2852 -1.2702 4.0437 4.1666 4.2128 4.2836 4.5706 4.6818 5.0318 5.1992 5.9193 5.9278 6.0243 6.1529 7.9728 8.0949 8.9577 8.9857 10.8257 10.9337 12.6890 12.7927 13.1877 13.2106 15.0010 15.0060 k = 0.4483 0.2588 0.3731 ( 8761 PWs) bands (ev): -37.2631 -37.2631 -36.8530 -36.8530 -14.2514 -14.2512 -14.2500 -14.2497 -11.2958 -11.2947 -11.2774 -11.2765 -11.2715 -11.2713 -1.2752 -1.2590 4.0328 4.1710 4.2231 4.2936 4.5726 4.6873 5.0217 5.2124 5.9176 5.9287 6.0160 6.1590 7.8713 7.9895 8.8869 8.9073 10.8793 10.9812 12.7466 12.8773 13.3066 13.3258 14.9822 15.0142 k = 0.4440 0.2563 0.3871 ( 8757 PWs) bands (ev): -37.2631 -37.2630 -36.8530 -36.8530 -14.2514 -14.2512 -14.2499 -14.2496 -11.2958 -11.2947 -11.2773 -11.2763 -11.2716 -11.2713 -1.2646 -1.2473 4.0217 4.1751 4.2340 4.3030 4.5753 4.6923 5.0119 5.2268 5.9154 5.9296 6.0078 6.1657 7.7716 7.8861 8.8161 8.8294 10.9254 11.0194 12.8098 12.9706 13.4298 13.4441 14.9443 15.0000 k = 0.4397 0.2538 0.4012 ( 8760 PWs) bands (ev): -37.2631 -37.2630 -36.8530 -36.8530 -14.2514 -14.2512 -14.2499 -14.2495 -11.2957 -11.2946 -11.2773 -11.2761 -11.2717 -11.2713 -1.2536 -1.2351 4.0102 4.1789 4.2452 4.3120 4.5787 4.6970 5.0027 5.2426 5.9124 5.9305 6.0000 6.1730 7.6743 7.7856 8.7453 8.7522 10.9644 11.0494 12.8775 13.0711 13.5559 13.5638 14.8933 14.9652 k = 0.4353 0.2513 0.4153 ( 8756 PWs) bands (ev): -37.2630 -37.2630 -36.8530 -36.8530 -14.2514 -14.2511 -14.2499 -14.2495 -11.2957 -11.2945 -11.2772 -11.2760 -11.2717 -11.2713 -1.2422 -1.2226 3.9985 4.1820 4.2568 4.3206 4.5822 4.7012 4.9946 5.2596 5.9085 5.9314 5.9930 6.1811 7.5800 7.6888 8.6748 8.6758 10.9968 11.0721 12.9477 13.1767 13.6828 13.6832 14.8365 14.9165 k = 0.4310 0.2489 0.4294 ( 8750 PWs) bands (ev): -37.2630 -37.2630 -36.8530 -36.8530 -14.2515 -14.2511 -14.2499 -14.2494 -11.2956 -11.2944 -11.2772 -11.2758 -11.2718 -11.2713 -1.2304 -1.2099 3.9864 4.1842 4.2687 4.3289 4.5857 4.7051 4.9881 5.2780 5.9033 5.9323 5.9870 6.1898 7.4893 7.5962 8.6005 8.6049 11.0233 11.0887 13.0183 13.2848 13.7984 13.8091 14.7815 14.8634 k = 0.4267 0.2464 0.4434 ( 8751 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8530 -14.2515 -14.2511 -14.2499 -14.2493 -11.2956 -11.2943 -11.2771 -11.2756 -11.2719 -11.2713 -1.2185 -1.1971 3.9740 4.1852 4.2808 4.3371 4.5885 4.7085 4.9839 5.2975 5.8969 5.9330 5.9821 6.1992 7.4024 7.5085 8.5265 8.5357 11.0447 11.1003 13.0861 13.3914 13.9068 13.9300 14.7368 14.8169 k = 0.4224 0.2439 0.4575 ( 8748 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8530 -14.2515 -14.2511 -14.2499 -14.2493 -11.2955 -11.2942 -11.2770 -11.2754 -11.2720 -11.2713 -1.2065 -1.1843 3.9612 4.1847 4.2930 4.3452 4.5903 4.7116 4.9826 5.3181 5.8893 5.9337 5.9785 6.2092 7.3201 7.4261 8.4541 8.4675 11.0618 11.1079 13.1474 13.4907 14.0041 14.0402 14.7124 14.7888 k = 0.4181 0.2414 0.4716 ( 8749 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8530 -14.2515 -14.2510 -14.2499 -14.2492 -11.2955 -11.2942 -11.2770 -11.2752 -11.2721 -11.2713 -1.1946 -1.1716 3.9482 4.1825 4.3052 4.3535 4.5908 4.7143 4.9845 5.3396 5.8807 5.9344 5.9761 6.2195 7.2425 7.3493 8.3834 8.4006 11.0752 11.1124 13.1977 13.5733 14.0891 14.1330 14.7195 14.7903 k = 0.4138 0.2389 0.4857 ( 8750 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8530 -14.2515 -14.2510 -14.2499 -14.2492 -11.2954 -11.2941 -11.2769 -11.2750 -11.2722 -11.2713 -1.1829 -1.1592 3.9349 4.1784 4.3173 4.3620 4.5897 4.7167 4.9903 5.3620 5.8714 5.9352 5.9747 6.2298 7.1703 7.2786 8.3148 8.3352 11.0856 11.1143 13.2325 13.6271 14.1684 14.2047 14.7657 14.8269 k = 0.4095 0.2364 0.4998 ( 8751 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2515 -14.2510 -14.2499 -14.2491 -11.2954 -11.2941 -11.2769 -11.2748 -11.2723 -11.2713 -1.1715 -1.1472 3.9214 4.1722 4.3292 4.3706 4.5871 4.7187 4.9999 5.3849 5.8616 5.9360 5.9742 6.2399 7.1040 7.2143 8.2484 8.2715 11.0937 11.1145 13.2479 13.6426 14.2541 14.2605 14.8483 14.8945 k = 0.4052 0.2339 0.5138 ( 8751 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2515 -14.2509 -14.2499 -14.2491 -11.2954 -11.2940 -11.2768 -11.2746 -11.2725 -11.2713 -1.1605 -1.1357 3.9078 4.1640 4.3407 4.3792 4.5833 4.7203 5.0135 5.4083 5.8519 5.9369 5.9744 6.2491 7.0440 7.1567 8.1845 8.2097 11.0999 11.1133 13.2422 13.6206 14.3117 14.3535 14.9562 14.9831 k = 0.4009 0.2314 0.5279 ( 8747 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2515 -14.2509 -14.2499 -14.2490 -11.2953 -11.2940 -11.2767 -11.2744 -11.2726 -11.2713 -1.1501 -1.1249 3.8942 4.1536 4.3519 4.3876 4.5788 4.7215 5.0307 5.4320 5.8425 5.9381 5.9753 6.2568 6.9911 7.1060 8.1233 8.1501 11.1048 11.1112 13.2164 13.5706 14.3662 14.4648 15.0784 15.0820 k = 0.3966 0.2289 0.5420 ( 8753 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2515 -14.2509 -14.2499 -14.2490 -11.2953 -11.2940 -11.2767 -11.2742 -11.2727 -11.2713 -1.1403 -1.1149 3.8807 4.1413 4.3626 4.3956 4.5743 4.7223 5.0513 5.4556 5.8337 5.9397 5.9768 6.2623 6.9460 7.0623 8.0651 8.0929 11.1085 11.1086 13.1736 13.5025 14.4264 14.5825 15.1830 15.2065 k = 0.3922 0.2265 0.5561 ( 8759 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2515 -14.2508 -14.2500 -14.2489 -11.2953 -11.2940 -11.2766 -11.2740 -11.2728 -11.2712 -1.1315 -1.1059 3.8674 4.1271 4.3726 4.4028 4.5703 4.7225 5.0750 5.4789 5.8260 5.9416 5.9787 6.2648 6.9094 7.0259 8.0101 8.0382 11.1056 11.1117 13.1177 13.4236 14.4909 14.7008 15.2800 15.3346 k = 0.3879 0.2240 0.5701 ( 8748 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2515 -14.2508 -14.2500 -14.2489 -11.2952 -11.2940 -11.2766 -11.2738 -11.2729 -11.2712 -1.1236 -1.0979 3.8544 4.1113 4.3820 4.4088 4.5675 4.7222 5.1013 5.5017 5.8196 5.9440 5.9812 6.2634 6.8819 6.9967 7.9586 7.9863 11.1027 11.1145 13.0523 13.3385 14.5568 14.8140 15.3694 15.4576 k = 0.3836 0.2215 0.5842 ( 8752 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2515 -14.2508 -14.2500 -14.2489 -11.2952 -11.2940 -11.2766 -11.2737 -11.2729 -11.2712 -1.1168 -1.0912 3.8419 4.0942 4.3905 4.4135 4.5663 4.7215 5.1298 5.5236 5.8148 5.9469 5.9843 6.2578 6.8639 6.9748 7.9109 7.9375 11.1000 11.1172 12.9804 13.2501 14.6210 14.9161 15.4508 15.5709 k = 0.3793 0.2190 0.5983 ( 8758 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2515 -14.2507 -14.2500 -14.2489 -11.2952 -11.2940 -11.2765 -11.2736 -11.2730 -11.2712 -1.1112 -1.0858 3.8301 4.0760 4.3981 4.4165 4.5670 4.7201 5.1603 5.5442 5.8122 5.9505 5.9880 6.2477 6.8553 6.9602 7.8672 7.8919 11.0976 11.1199 12.9044 13.1603 14.6805 15.0008 15.5266 15.6697 k = 0.3750 0.2165 0.6124 ( 8744 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2515 -14.2507 -14.2500 -14.2489 -11.2952 -11.2940 -11.2765 -11.2736 -11.2729 -11.2712 -1.1070 -1.0818 3.8190 4.0571 4.4047 4.4180 4.5698 4.7183 5.1924 5.5630 5.8119 5.9548 5.9926 6.2336 6.8558 6.9526 7.8278 7.8497 11.0957 11.1229 12.8260 13.0703 14.7329 15.0631 15.5995 15.7503 k = 0.6250-0.0722 0.4082 ( 8744 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2515 -14.2507 -14.2500 -14.2489 -11.2952 -11.2940 -11.2765 -11.2736 -11.2729 -11.2712 -1.1070 -1.0818 3.8190 4.0571 4.4047 4.4180 4.5698 4.7183 5.1924 5.5630 5.8119 5.9548 5.9926 6.2336 6.8558 6.9526 7.8278 7.8497 11.0957 11.1229 12.8260 13.0703 14.7329 15.0631 15.5995 15.7503 k = 0.6176-0.0849 0.4082 ( 8760 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2515 -14.2507 -14.2501 -14.2489 -11.2952 -11.2941 -11.2764 -11.2737 -11.2727 -11.2712 -1.1013 -1.0769 3.8010 4.0240 4.4149 4.4205 4.5753 4.7146 5.2496 5.5934 5.8154 5.9629 6.0013 6.2068 6.8641 6.9468 7.7661 7.7823 11.0923 11.1277 12.6900 12.9179 14.8172 15.1487 15.7233 15.8717 k = 0.6103-0.0976 0.4082 ( 8756 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2515 -14.2506 -14.2501 -14.2488 -11.2952 -11.2941 -11.2763 -11.2738 -11.2726 -11.2712 -1.0964 -1.0727 3.7833 3.9903 4.4247 4.4253 4.5794 4.7103 5.3090 5.6236 5.8221 5.9714 6.0108 6.1809 6.8728 6.9430 7.7079 7.7178 11.0876 11.1312 12.5535 12.7678 14.9046 15.2341 15.8497 15.9952 k = 0.6029-0.1104 0.4082 ( 8756 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2514 -14.2506 -14.2502 -14.2488 -11.2952 -11.2942 -11.2763 -11.2739 -11.2724 -11.2711 -1.0921 -1.0694 3.7662 3.9570 4.4319 4.4341 4.5822 4.7055 5.3699 5.6526 5.8321 5.9802 6.0210 6.1561 6.8815 6.9409 7.6536 7.6566 11.0813 11.1333 12.4185 12.6215 14.9941 15.3186 15.9782 16.1205 k = 0.5956-0.1231 0.4082 ( 8776 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2514 -14.2505 -14.2502 -14.2489 -11.2952 -11.2943 -11.2762 -11.2740 -11.2722 -11.2711 -1.0884 -1.0667 3.7498 3.9245 4.4398 4.4432 4.5839 4.7001 5.4317 5.6792 5.8457 5.9890 6.0321 6.1323 6.8896 6.9402 7.5991 7.6034 11.0735 11.1338 12.2867 12.4804 15.0849 15.4015 16.1087 16.2471 k = 0.5882-0.1358 0.4082 ( 8780 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2514 -14.2505 -14.2502 -14.2489 -11.2952 -11.2943 -11.2761 -11.2741 -11.2721 -11.2711 -1.0852 -1.0647 3.7343 3.8931 4.4488 4.4520 4.5845 4.6941 5.4937 5.7030 5.8624 5.9979 6.0441 6.1096 6.8967 6.9405 7.5457 7.5578 11.0638 11.1322 12.1601 12.3459 15.1761 15.4822 16.2406 16.3748 k = 0.5809-0.1486 0.4082 ( 8764 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2514 -14.2505 -14.2502 -14.2489 -11.2952 -11.2944 -11.2761 -11.2742 -11.2720 -11.2711 -1.0824 -1.0632 3.7199 3.8633 4.4585 4.4606 4.5842 4.6876 5.5554 5.7239 5.8814 6.0063 6.0570 6.0882 6.9025 6.9414 7.4971 7.5172 11.0521 11.1280 12.0402 12.2191 15.2669 15.5598 16.3734 16.5030 k = 0.5735-0.1613 0.4082 ( 8762 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2514 -14.2505 -14.2501 -14.2489 -11.2952 -11.2945 -11.2760 -11.2743 -11.2718 -11.2711 -1.0800 -1.0622 3.7067 3.8351 4.4688 4.4689 4.5831 4.6805 5.6161 5.7422 5.9017 6.0140 6.0684 6.0704 6.9065 6.9423 7.4538 7.4818 11.0382 11.1207 11.9290 12.1013 15.3565 15.6336 16.5067 16.6309 k = 0.5662-0.1741 0.4082 ( 8766 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2513 -14.2506 -14.2501 -14.2489 -11.2952 -11.2946 -11.2759 -11.2744 -11.2717 -11.2710 -1.0779 -1.0616 3.6949 3.8088 4.4769 4.4797 4.5813 4.6729 5.6752 5.7587 5.9219 6.0193 6.0514 6.0839 6.9086 6.9425 7.4165 7.4517 11.0222 11.1095 11.8286 11.9935 15.4438 15.7027 16.6397 16.7579 k = 0.5588-0.1868 0.4082 ( 8774 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2513 -14.2506 -14.2500 -14.2490 -11.2952 -11.2946 -11.2758 -11.2745 -11.2716 -11.2710 -1.0761 -1.0614 3.6845 3.7845 4.4847 4.4908 4.5788 4.6649 5.7321 5.7739 5.9411 6.0170 6.0424 6.0969 6.9087 6.9413 7.3859 7.4270 11.0041 11.0936 11.7406 11.8967 15.5279 15.7661 16.7714 16.8828 k = 0.5515-0.1995 0.4082 ( 8770 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2513 -14.2507 -14.2500 -14.2490 -11.2952 -11.2947 -11.2758 -11.2746 -11.2715 -11.2710 -1.0745 -1.0615 3.6757 3.7622 4.4923 4.5021 4.5758 4.6563 5.7861 5.7884 5.9590 6.0047 6.0436 6.1084 6.9069 6.9383 7.3624 7.4073 10.9843 11.0727 11.6669 11.8115 15.6080 15.8230 16.9006 17.0042 k = 0.5441-0.2123 0.4082 ( 8772 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2512 -14.2507 -14.2499 -14.2491 -11.2952 -11.2948 -11.2757 -11.2747 -11.2714 -11.2710 -1.0731 -1.0618 3.6687 3.7420 4.4997 4.5136 4.5723 4.6473 5.8024 5.8362 5.9752 5.9902 6.0474 6.1174 6.9038 6.9333 7.3460 7.3921 10.9636 11.0468 11.6082 11.7381 15.6828 15.8722 17.0257 17.1202 k = 0.5368-0.2250 0.4082 ( 8770 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2512 -14.2508 -14.2498 -14.2491 -11.2952 -11.2949 -11.2756 -11.2747 -11.2713 -11.2710 -1.0718 -1.0623 3.6635 3.7240 4.5069 4.5250 4.5685 4.6379 5.8163 5.8805 5.9777 5.9898 6.0510 6.1230 6.8998 6.9265 7.3362 7.3804 10.9433 11.0173 11.5644 11.6763 15.7513 15.9131 17.1445 17.2281 k = 0.5294-0.2377 0.4082 ( 8776 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2512 -14.2508 -14.2497 -14.2492 -11.2952 -11.2949 -11.2755 -11.2748 -11.2712 -11.2710 -1.0706 -1.0630 3.6601 3.7082 4.5139 4.5360 4.5647 4.6280 5.8301 5.9127 5.9734 6.0027 6.0535 6.1244 6.8958 6.9184 7.3321 7.3713 10.9247 10.9865 11.5342 11.6256 15.8125 15.9445 17.2538 17.3248 k = 0.5221-0.2505 0.4082 ( 8760 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2511 -14.2509 -14.2497 -14.2492 -11.2952 -11.2950 -11.2755 -11.2749 -11.2711 -11.2709 -1.0695 -1.0637 3.6588 3.6946 4.5207 4.5453 4.5622 4.6179 5.8439 5.9201 5.9894 6.0139 6.0553 6.1211 6.8924 6.9102 7.3322 7.3640 10.9097 10.9572 11.5158 11.5850 15.8653 15.9659 17.3498 17.4058 k = 0.5147-0.2632 0.4082 ( 8764 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2511 -14.2509 -14.2496 -14.2493 -11.2952 -11.2950 -11.2754 -11.2750 -11.2711 -11.2710 -1.0684 -1.0646 3.6594 3.6832 4.5273 4.5480 4.5658 4.6074 5.8578 5.9116 6.0148 6.0233 6.0575 6.1128 6.8904 6.9026 7.3353 7.3576 10.8998 10.9319 11.5073 11.5536 15.9088 15.9766 17.4274 17.4663 k = 0.5074-0.2759 0.4082 ( 8744 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2510 -14.2510 -14.2495 -14.2494 -11.2951 -11.2951 -11.2753 -11.2751 -11.2710 -11.2710 -1.0674 -1.0655 3.6621 3.6740 4.5335 4.5446 4.5752 4.5967 5.8717 5.8991 6.0306 6.0320 6.0656 6.0995 6.8902 6.8964 7.3401 7.3516 10.8966 10.9127 11.5074 11.5306 15.9421 15.9763 17.4812 17.5011 k = 0.5000-0.2887 0.4082 ( 8744 PWs) bands (ev): -37.2630 -37.2630 -36.8531 -36.8531 -14.2510 -14.2510 -14.2494 -14.2494 -11.2951 -11.2951 -11.2752 -11.2752 -11.2710 -11.2710 -1.0664 -1.0664 3.6670 3.6670 4.5394 4.5394 4.5858 4.5858 5.8855 5.8855 6.0347 6.0347 6.0824 6.0824 6.8922 6.8922 7.3457 7.3457 10.9007 10.9007 11.5152 11.5152 15.9648 15.9648 17.5065 17.5065 Writing output data file Li2BiAu.save init_run : 0.96s CPU 0.57s WALL ( 1 calls) electrons : 340.67s CPU 228.61s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.10s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 340.66s CPU 228.60s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.21s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.64s CPU 0.70s WALL ( 317 calls) cegterg : 293.82s CPU 201.27s WALL ( 493 calls) Called by sum_band: Called by *egterg: h_psi : 238.29s CPU 144.59s WALL ( 8311 calls) s_psi : 8.16s CPU 5.57s WALL ( 8311 calls) g_psi : 0.54s CPU 0.41s WALL ( 7501 calls) cdiaghg : 53.26s CPU 45.55s WALL ( 7818 calls) cegterg:over : 11.01s CPU 8.65s WALL ( 7501 calls) cegterg:upda : 11.83s CPU 9.82s WALL ( 7501 calls) cegterg:last : 4.78s CPU 4.21s WALL ( 1399 calls) cdiaghg:chol : 3.12s CPU 2.74s WALL ( 7818 calls) cdiaghg:inve : 1.60s CPU 1.31s WALL ( 7818 calls) cdiaghg:para : 3.09s CPU 2.64s WALL ( 15636 calls) Called by h_psi: h_psi:vloc : 221.38s CPU 132.65s WALL ( 8311 calls) h_psi:vnl : 16.35s CPU 11.50s WALL ( 8311 calls) add_vuspsi : 8.52s CPU 5.84s WALL ( 8311 calls) General routines calbec : 7.78s CPU 5.63s WALL ( 8311 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 209.40s CPU 124.43s WALL ( 660760 calls) interpolate : 0.02s CPU 0.01s WALL ( 4 calls) davcio : 0.38s CPU 1.32s WALL ( 634 calls) Parallel routines fft_scatter : 72.04s CPU 49.41s WALL ( 660783 calls) PWSCF : 6m 2.30s CPU 4m22.99s WALL This run was terminated on: 6:16:59 11Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=