Program PWSCF v.5.4.0 starts on 11Feb2017 at 6:12:55 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: ./Li2TlAu.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 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 62 60 16 1944 1849 271 Max 63 61 17 1948 1868 277 Sum 2233 2173 595 70049 66923 9841 bravais-lattice index = 14 lattice parameter (alat) = 8.7510 a.u. unit-cell volume = 473.8725 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 30.00 number of Kohn-Sham states= 38 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.751023 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 Tl read from file: /users/gautes/Pseudo/Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd969aa200d2b9b89aab382fbbb9d684 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for 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 Tl 13.00 204.38330 Tl( 1.00) Li 3.00 6.94100 Li( 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= 320 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 2) = ( 0.0104167 -0.0060141 0.0085052), wk = 0.0031250 k( 3) = ( 0.0208333 -0.0120281 0.0170103), wk = 0.0031250 k( 4) = ( 0.0312500 -0.0180422 0.0255155), wk = 0.0031250 k( 5) = ( 0.0416667 -0.0240563 0.0340207), wk = 0.0031250 k( 6) = ( 0.0520833 -0.0300703 0.0425259), wk = 0.0031250 k( 7) = ( 0.0625000 -0.0360844 0.0510310), wk = 0.0031250 k( 8) = ( 0.0729167 -0.0420985 0.0595362), wk = 0.0031250 k( 9) = ( 0.0833333 -0.0481125 0.0680414), wk = 0.0031250 k( 10) = ( 0.0937500 -0.0541266 0.0765466), wk = 0.0031250 k( 11) = ( 0.1041667 -0.0601407 0.0850517), wk = 0.0031250 k( 12) = ( 0.1145833 -0.0661547 0.0935569), wk = 0.0031250 k( 13) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0031250 k( 14) = ( 0.1354167 -0.0781829 0.1105672), wk = 0.0031250 k( 15) = ( 0.1458333 -0.0841969 0.1190724), wk = 0.0031250 k( 16) = ( 0.1562500 -0.0902110 0.1275776), wk = 0.0031250 k( 17) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0031250 k( 18) = ( 0.1770833 -0.1022391 0.1445879), wk = 0.0031250 k( 19) = ( 0.1875000 -0.1082532 0.1530931), wk = 0.0031250 k( 20) = ( 0.1979167 -0.1142672 0.1615983), wk = 0.0031250 k( 21) = ( 0.2083333 -0.1202813 0.1701035), wk = 0.0031250 k( 22) = ( 0.2187500 -0.1262954 0.1786086), wk = 0.0031250 k( 23) = ( 0.2291667 -0.1323094 0.1871138), wk = 0.0031250 k( 24) = ( 0.2395833 -0.1383235 0.1956190), wk = 0.0031250 k( 25) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0031250 k( 26) = ( 0.2604167 -0.1503516 0.2126293), wk = 0.0031250 k( 27) = ( 0.2708333 -0.1563657 0.2211345), wk = 0.0031250 k( 28) = ( 0.2812500 -0.1623798 0.2296397), wk = 0.0031250 k( 29) = ( 0.2916667 -0.1683938 0.2381448), wk = 0.0031250 k( 30) = ( 0.3020833 -0.1744079 0.2466500), wk = 0.0031250 k( 31) = ( 0.3125000 -0.1804220 0.2551552), wk = 0.0031250 k( 32) = ( 0.3229167 -0.1864360 0.2636604), wk = 0.0031250 k( 33) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0031250 k( 34) = ( 0.3437500 -0.1984642 0.2806707), wk = 0.0031250 k( 35) = ( 0.3541667 -0.2044782 0.2891759), wk = 0.0031250 k( 36) = ( 0.3645833 -0.2104923 0.2976810), wk = 0.0031250 k( 37) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0031250 k( 38) = ( 0.3854167 -0.2225204 0.3146914), wk = 0.0031250 k( 39) = ( 0.3958333 -0.2285345 0.3231966), wk = 0.0031250 k( 40) = ( 0.4062500 -0.2345485 0.3317017), wk = 0.0031250 k( 41) = ( 0.4166667 -0.2405626 0.3402069), wk = 0.0031250 k( 42) = ( 0.4270833 -0.2465767 0.3487121), wk = 0.0031250 k( 43) = ( 0.4375000 -0.2525907 0.3572173), wk = 0.0031250 k( 44) = ( 0.4479167 -0.2586048 0.3657224), wk = 0.0031250 k( 45) = ( 0.4583333 -0.2646189 0.3742276), wk = 0.0031250 k( 46) = ( 0.4687500 -0.2706329 0.3827328), wk = 0.0031250 k( 47) = ( 0.4791667 -0.2766470 0.3912379), wk = 0.0031250 k( 48) = ( 0.4895833 -0.2826611 0.3997431), wk = 0.0031250 k( 49) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031250 k( 50) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031250 k( 51) = ( 0.5000000 -0.2766470 0.4167535), wk = 0.0031250 k( 52) = ( 0.5000000 -0.2646189 0.4252586), wk = 0.0031250 k( 53) = ( 0.5000000 -0.2525907 0.4337638), wk = 0.0031250 k( 54) = ( 0.5000000 -0.2405626 0.4422690), wk = 0.0031250 k( 55) = ( 0.5000000 -0.2285345 0.4507742), wk = 0.0031250 k( 56) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0031250 k( 57) = ( 0.5000000 -0.2044782 0.4677845), wk = 0.0031250 k( 58) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0031250 k( 59) = ( 0.5000000 -0.1804220 0.4847948), wk = 0.0031250 k( 60) = ( 0.5000000 -0.1683938 0.4933000), wk = 0.0031250 k( 61) = ( 0.5000000 -0.1563657 0.5018052), wk = 0.0031250 k( 62) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0031250 k( 63) = ( 0.5000000 -0.1323094 0.5188155), wk = 0.0031250 k( 64) = ( 0.5000000 -0.1202813 0.5273207), wk = 0.0031250 k( 65) = ( 0.5000000 -0.1082532 0.5358259), wk = 0.0031250 k( 66) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0031250 k( 67) = ( 0.5000000 -0.0841969 0.5528362), wk = 0.0031250 k( 68) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0031250 k( 69) = ( 0.5000000 -0.0601406 0.5698466), wk = 0.0031250 k( 70) = ( 0.5000000 -0.0481125 0.5783517), wk = 0.0031250 k( 71) = ( 0.5000000 -0.0360844 0.5868569), wk = 0.0031250 k( 72) = ( 0.5000000 -0.0240563 0.5953621), wk = 0.0031250 k( 73) = ( 0.5000000 -0.0120281 0.6038673), wk = 0.0031250 k( 74) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0031250 k( 75) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0031250 k( 76) = ( 0.4926471 0.0127357 0.6123724), wk = 0.0031250 k( 77) = ( 0.4852941 0.0254713 0.6123724), wk = 0.0031250 k( 78) = ( 0.4779412 0.0382070 0.6123724), wk = 0.0031250 k( 79) = ( 0.4705882 0.0509427 0.6123724), wk = 0.0031250 k( 80) = ( 0.4632353 0.0636783 0.6123724), wk = 0.0031250 k( 81) = ( 0.4558823 0.0764140 0.6123724), wk = 0.0031250 k( 82) = ( 0.4485294 0.0891497 0.6123724), wk = 0.0031250 k( 83) = ( 0.4411765 0.1018853 0.6123724), wk = 0.0031250 k( 84) = ( 0.4338235 0.1146210 0.6123724), wk = 0.0031250 k( 85) = ( 0.4264706 0.1273567 0.6123724), wk = 0.0031250 k( 86) = ( 0.4191177 0.1400923 0.6123724), wk = 0.0031250 k( 87) = ( 0.4117647 0.1528280 0.6123724), wk = 0.0031250 k( 88) = ( 0.4044118 0.1655637 0.6123724), wk = 0.0031250 k( 89) = ( 0.3970588 0.1782994 0.6123724), wk = 0.0031250 k( 90) = ( 0.3897059 0.1910350 0.6123724), wk = 0.0031250 k( 91) = ( 0.3823529 0.2037707 0.6123724), wk = 0.0031250 k( 92) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031250 k( 93) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031250 k( 94) = ( 0.3676471 0.2122611 0.6003651), wk = 0.0031250 k( 95) = ( 0.3602941 0.2080159 0.5883578), wk = 0.0031250 k( 96) = ( 0.3529412 0.2037707 0.5763505), wk = 0.0031250 k( 97) = ( 0.3455882 0.1995255 0.5643432), wk = 0.0031250 k( 98) = ( 0.3382353 0.1952802 0.5523359), wk = 0.0031250 k( 99) = ( 0.3308823 0.1910350 0.5403286), wk = 0.0031250 k( 100) = ( 0.3235294 0.1867898 0.5283213), wk = 0.0031250 k( 101) = ( 0.3161765 0.1825446 0.5163140), wk = 0.0031250 k( 102) = ( 0.3088235 0.1782993 0.5043067), wk = 0.0031250 k( 103) = ( 0.3014706 0.1740541 0.4922994), wk = 0.0031250 k( 104) = ( 0.2941177 0.1698089 0.4802921), wk = 0.0031250 k( 105) = ( 0.2867647 0.1655637 0.4682848), wk = 0.0031250 k( 106) = ( 0.2794118 0.1613185 0.4562775), wk = 0.0031250 k( 107) = ( 0.2720588 0.1570732 0.4442702), wk = 0.0031250 k( 108) = ( 0.2647059 0.1528280 0.4322629), wk = 0.0031250 k( 109) = ( 0.2573529 0.1485828 0.4202556), wk = 0.0031250 k( 110) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0031250 k( 111) = ( 0.2426471 0.1400923 0.3962410), wk = 0.0031250 k( 112) = ( 0.2352941 0.1358471 0.3842337), wk = 0.0031250 k( 113) = ( 0.2279412 0.1316019 0.3722264), wk = 0.0031250 k( 114) = ( 0.2205882 0.1273567 0.3602191), wk = 0.0031250 k( 115) = ( 0.2132353 0.1231115 0.3482118), wk = 0.0031250 k( 116) = ( 0.2058823 0.1188662 0.3362045), wk = 0.0031250 k( 117) = ( 0.1985294 0.1146210 0.3241972), wk = 0.0031250 k( 118) = ( 0.1911765 0.1103758 0.3121899), wk = 0.0031250 k( 119) = ( 0.1838235 0.1061306 0.3001826), wk = 0.0031250 k( 120) = ( 0.1764706 0.1018853 0.2881753), wk = 0.0031250 k( 121) = ( 0.1691177 0.0976401 0.2761680), wk = 0.0031250 k( 122) = ( 0.1617647 0.0933949 0.2641607), wk = 0.0031250 k( 123) = ( 0.1544118 0.0891497 0.2521534), wk = 0.0031250 k( 124) = ( 0.1470588 0.0849044 0.2401461), wk = 0.0031250 k( 125) = ( 0.1397059 0.0806592 0.2281387), wk = 0.0031250 k( 126) = ( 0.1323529 0.0764140 0.2161314), wk = 0.0031250 k( 127) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0031250 k( 128) = ( 0.1176471 0.0679236 0.1921168), wk = 0.0031250 k( 129) = ( 0.1102941 0.0636783 0.1801095), wk = 0.0031250 k( 130) = ( 0.1029412 0.0594331 0.1681022), wk = 0.0031250 k( 131) = ( 0.0955882 0.0551879 0.1560949), wk = 0.0031250 k( 132) = ( 0.0882353 0.0509427 0.1440876), wk = 0.0031250 k( 133) = ( 0.0808824 0.0466974 0.1320803), wk = 0.0031250 k( 134) = ( 0.0735294 0.0424522 0.1200730), wk = 0.0031250 k( 135) = ( 0.0661765 0.0382070 0.1080657), wk = 0.0031250 k( 136) = ( 0.0588235 0.0339618 0.0960584), wk = 0.0031250 k( 137) = ( 0.0514706 0.0297166 0.0840511), wk = 0.0031250 k( 138) = ( 0.0441177 0.0254713 0.0720438), wk = 0.0031250 k( 139) = ( 0.0367647 0.0212261 0.0600365), wk = 0.0031250 k( 140) = ( 0.0294118 0.0169809 0.0480292), wk = 0.0031250 k( 141) = ( 0.0220588 0.0127357 0.0360219), wk = 0.0031250 k( 142) = ( 0.0147059 0.0084904 0.0240146), wk = 0.0031250 k( 143) = ( 0.0073529 0.0042452 0.0120073), wk = 0.0031250 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 146) = ( 0.0119048 0.0068732 0.0048601), wk = 0.0031250 k( 147) = ( 0.0238095 0.0137464 0.0097202), wk = 0.0031250 k( 148) = ( 0.0357143 0.0206197 0.0145803), wk = 0.0031250 k( 149) = ( 0.0476191 0.0274929 0.0194404), wk = 0.0031250 k( 150) = ( 0.0595238 0.0343661 0.0243005), wk = 0.0031250 k( 151) = ( 0.0714286 0.0412393 0.0291606), wk = 0.0031250 k( 152) = ( 0.0833333 0.0481125 0.0340207), wk = 0.0031250 k( 153) = ( 0.0952381 0.0549857 0.0388808), wk = 0.0031250 k( 154) = ( 0.1071429 0.0618590 0.0437409), wk = 0.0031250 k( 155) = ( 0.1190476 0.0687322 0.0486010), wk = 0.0031250 k( 156) = ( 0.1309524 0.0756054 0.0534611), wk = 0.0031250 k( 157) = ( 0.1428571 0.0824786 0.0583212), wk = 0.0031250 k( 158) = ( 0.1547619 0.0893518 0.0631813), wk = 0.0031250 k( 159) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0031250 k( 160) = ( 0.1785714 0.1030983 0.0729015), wk = 0.0031250 k( 161) = ( 0.1904762 0.1099715 0.0777616), wk = 0.0031250 k( 162) = ( 0.2023810 0.1168447 0.0826217), wk = 0.0031250 k( 163) = ( 0.2142857 0.1237179 0.0874818), wk = 0.0031250 k( 164) = ( 0.2261905 0.1305911 0.0923419), wk = 0.0031250 k( 165) = ( 0.2380952 0.1374644 0.0972020), wk = 0.0031250 k( 166) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0031250 k( 167) = ( 0.2619048 0.1512108 0.1069222), wk = 0.0031250 k( 168) = ( 0.2738095 0.1580840 0.1117823), wk = 0.0031250 k( 169) = ( 0.2857143 0.1649572 0.1166424), wk = 0.0031250 k( 170) = ( 0.2976190 0.1718304 0.1215025), wk = 0.0031250 k( 171) = ( 0.3095238 0.1787037 0.1263626), wk = 0.0031250 k( 172) = ( 0.3214286 0.1855769 0.1312227), wk = 0.0031250 k( 173) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0031250 k( 174) = ( 0.3452381 0.1993233 0.1409429), wk = 0.0031250 k( 175) = ( 0.3571429 0.2061965 0.1458030), wk = 0.0031250 k( 176) = ( 0.3690476 0.2130697 0.1506631), wk = 0.0031250 k( 177) = ( 0.3809524 0.2199430 0.1555232), wk = 0.0031250 k( 178) = ( 0.3928571 0.2268162 0.1603833), wk = 0.0031250 k( 179) = ( 0.4047619 0.2336894 0.1652434), wk = 0.0031250 k( 180) = ( 0.4166667 0.2405626 0.1701035), wk = 0.0031250 k( 181) = ( 0.4285714 0.2474358 0.1749636), wk = 0.0031250 k( 182) = ( 0.4404762 0.2543090 0.1798237), wk = 0.0031250 k( 183) = ( 0.4523810 0.2611823 0.1846837), wk = 0.0031250 k( 184) = ( 0.4642857 0.2680555 0.1895438), wk = 0.0031250 k( 185) = ( 0.4761905 0.2749287 0.1944039), wk = 0.0031250 k( 186) = ( 0.4880952 0.2818019 0.1992640), wk = 0.0031250 k( 187) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031250 k( 188) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031250 k( 189) = ( 0.5041667 0.2766470 0.2109283), wk = 0.0031250 k( 190) = ( 0.5083333 0.2646189 0.2177324), wk = 0.0031250 k( 191) = ( 0.5125000 0.2525907 0.2245366), wk = 0.0031250 k( 192) = ( 0.5166667 0.2405626 0.2313407), wk = 0.0031250 k( 193) = ( 0.5208333 0.2285345 0.2381448), wk = 0.0031250 k( 194) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0031250 k( 195) = ( 0.5291667 0.2044782 0.2517531), wk = 0.0031250 k( 196) = ( 0.5333333 0.1924501 0.2585572), wk = 0.0031250 k( 197) = ( 0.5375000 0.1804220 0.2653614), wk = 0.0031250 k( 198) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0031250 k( 199) = ( 0.5458333 0.1563657 0.2789697), wk = 0.0031250 k( 200) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0031250 k( 201) = ( 0.5541667 0.1323094 0.2925779), wk = 0.0031250 k( 202) = ( 0.5583333 0.1202813 0.2993821), wk = 0.0031250 k( 203) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0031250 k( 204) = ( 0.5666667 0.0962250 0.3129904), wk = 0.0031250 k( 205) = ( 0.5708333 0.0841969 0.3197945), wk = 0.0031250 k( 206) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0031250 k( 207) = ( 0.5791667 0.0601407 0.3334028), wk = 0.0031250 k( 208) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0031250 k( 209) = ( 0.5875000 0.0360844 0.3470110), wk = 0.0031250 k( 210) = ( 0.5916667 0.0240563 0.3538152), wk = 0.0031250 k( 211) = ( 0.5958333 0.0120281 0.3606193), wk = 0.0031250 k( 212) = ( 0.6000000 0.0000000 0.3674235), wk = 0.0031250 k( 213) = ( 0.6041667 -0.0120281 0.3742276), wk = 0.0031250 k( 214) = ( 0.6083333 -0.0240563 0.3810317), wk = 0.0031250 k( 215) = ( 0.6125000 -0.0360844 0.3878359), wk = 0.0031250 k( 216) = ( 0.6166667 -0.0481125 0.3946400), wk = 0.0031250 k( 217) = ( 0.6208333 -0.0601407 0.4014442), wk = 0.0031250 k( 218) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031250 k( 219) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031250 k( 220) = ( 0.6176471 -0.0679236 0.4202556), wk = 0.0031250 k( 221) = ( 0.6102941 -0.0636783 0.4322629), wk = 0.0031250 k( 222) = ( 0.6029412 -0.0594331 0.4442702), wk = 0.0031250 k( 223) = ( 0.5955882 -0.0551879 0.4562775), wk = 0.0031250 k( 224) = ( 0.5882353 -0.0509427 0.4682848), wk = 0.0031250 k( 225) = ( 0.5808823 -0.0466974 0.4802921), wk = 0.0031250 k( 226) = ( 0.5735294 -0.0424522 0.4922994), wk = 0.0031250 k( 227) = ( 0.5661765 -0.0382070 0.5043067), wk = 0.0031250 k( 228) = ( 0.5588235 -0.0339618 0.5163140), wk = 0.0031250 k( 229) = ( 0.5514706 -0.0297166 0.5283213), wk = 0.0031250 k( 230) = ( 0.5441177 -0.0254713 0.5403286), wk = 0.0031250 k( 231) = ( 0.5367647 -0.0212261 0.5523359), wk = 0.0031250 k( 232) = ( 0.5294118 -0.0169809 0.5643432), wk = 0.0031250 k( 233) = ( 0.5220588 -0.0127357 0.5763505), wk = 0.0031250 k( 234) = ( 0.5147059 -0.0084904 0.5883578), wk = 0.0031250 k( 235) = ( 0.5073529 -0.0042452 0.6003651), wk = 0.0031250 k( 236) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0031250 k( 237) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0031250 k( 238) = ( 0.5000000 0.0084904 0.6003651), wk = 0.0031250 k( 239) = ( 0.5000000 0.0169809 0.5883578), wk = 0.0031250 k( 240) = ( 0.5000000 0.0254713 0.5763505), wk = 0.0031250 k( 241) = ( 0.5000000 0.0339618 0.5643432), wk = 0.0031250 k( 242) = ( 0.5000000 0.0424522 0.5523359), wk = 0.0031250 k( 243) = ( 0.5000000 0.0509427 0.5403286), wk = 0.0031250 k( 244) = ( 0.5000000 0.0594331 0.5283213), wk = 0.0031250 k( 245) = ( 0.5000000 0.0679236 0.5163140), wk = 0.0031250 k( 246) = ( 0.5000000 0.0764140 0.5043067), wk = 0.0031250 k( 247) = ( 0.5000000 0.0849044 0.4922994), wk = 0.0031250 k( 248) = ( 0.5000000 0.0933949 0.4802921), wk = 0.0031250 k( 249) = ( 0.5000000 0.1018853 0.4682848), wk = 0.0031250 k( 250) = ( 0.5000000 0.1103758 0.4562775), wk = 0.0031250 k( 251) = ( 0.5000000 0.1188662 0.4442702), wk = 0.0031250 k( 252) = ( 0.5000000 0.1273567 0.4322629), wk = 0.0031250 k( 253) = ( 0.5000000 0.1358471 0.4202556), wk = 0.0031250 k( 254) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0031250 k( 255) = ( 0.5000000 0.1528280 0.3962410), wk = 0.0031250 k( 256) = ( 0.5000000 0.1613185 0.3842337), wk = 0.0031250 k( 257) = ( 0.5000000 0.1698089 0.3722264), wk = 0.0031250 k( 258) = ( 0.5000000 0.1782993 0.3602191), wk = 0.0031250 k( 259) = ( 0.5000000 0.1867898 0.3482118), wk = 0.0031250 k( 260) = ( 0.5000000 0.1952802 0.3362045), wk = 0.0031250 k( 261) = ( 0.5000000 0.2037707 0.3241972), wk = 0.0031250 k( 262) = ( 0.5000000 0.2122611 0.3121899), wk = 0.0031250 k( 263) = ( 0.5000000 0.2207516 0.3001826), wk = 0.0031250 k( 264) = ( 0.5000000 0.2292420 0.2881753), wk = 0.0031250 k( 265) = ( 0.5000000 0.2377325 0.2761680), wk = 0.0031250 k( 266) = ( 0.5000000 0.2462229 0.2641607), wk = 0.0031250 k( 267) = ( 0.5000000 0.2547134 0.2521533), wk = 0.0031250 k( 268) = ( 0.5000000 0.2632038 0.2401460), wk = 0.0031250 k( 269) = ( 0.5000000 0.2716942 0.2281387), wk = 0.0031250 k( 270) = ( 0.5000000 0.2801847 0.2161314), wk = 0.0031250 k( 271) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031250 k( 272) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031250 k( 273) = ( 0.4958333 0.2862695 0.2177324), wk = 0.0031250 k( 274) = ( 0.4916667 0.2838639 0.2313407), wk = 0.0031250 k( 275) = ( 0.4875000 0.2814583 0.2449490), wk = 0.0031250 k( 276) = ( 0.4833333 0.2790526 0.2585572), wk = 0.0031250 k( 277) = ( 0.4791667 0.2766470 0.2721655), wk = 0.0031250 k( 278) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0031250 k( 279) = ( 0.4708333 0.2718357 0.2993821), wk = 0.0031250 k( 280) = ( 0.4666667 0.2694301 0.3129904), wk = 0.0031250 k( 281) = ( 0.4625000 0.2670245 0.3265986), wk = 0.0031250 k( 282) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0031250 k( 283) = ( 0.4541667 0.2622132 0.3538152), wk = 0.0031250 k( 284) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0031250 k( 285) = ( 0.4458333 0.2574020 0.3810317), wk = 0.0031250 k( 286) = ( 0.4416667 0.2549964 0.3946400), wk = 0.0031250 k( 287) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0031250 k( 288) = ( 0.4333333 0.2501851 0.4218566), wk = 0.0031250 k( 289) = ( 0.4291667 0.2477795 0.4354648), wk = 0.0031250 k( 290) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0031250 k( 291) = ( 0.4208333 0.2429682 0.4626814), wk = 0.0031250 k( 292) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0031250 k( 293) = ( 0.4125000 0.2381570 0.4898979), wk = 0.0031250 k( 294) = ( 0.4083333 0.2357514 0.5035062), wk = 0.0031250 k( 295) = ( 0.4041667 0.2333457 0.5171145), wk = 0.0031250 k( 296) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0031250 k( 297) = ( 0.3958333 0.2285345 0.5443311), wk = 0.0031250 k( 298) = ( 0.3916667 0.2261289 0.5579393), wk = 0.0031250 k( 299) = ( 0.3875000 0.2237232 0.5715476), wk = 0.0031250 k( 300) = ( 0.3833333 0.2213176 0.5851559), wk = 0.0031250 k( 301) = ( 0.3791667 0.2189120 0.5987642), wk = 0.0031250 k( 302) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031250 k( 303) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031250 k( 304) = ( 0.6176471 -0.0849044 0.4082483), wk = 0.0031250 k( 305) = ( 0.6102941 -0.0976401 0.4082483), wk = 0.0031250 k( 306) = ( 0.6029412 -0.1103758 0.4082483), wk = 0.0031250 k( 307) = ( 0.5955882 -0.1231115 0.4082483), wk = 0.0031250 k( 308) = ( 0.5882353 -0.1358471 0.4082483), wk = 0.0031250 k( 309) = ( 0.5808823 -0.1485828 0.4082483), wk = 0.0031250 k( 310) = ( 0.5735294 -0.1613185 0.4082483), wk = 0.0031250 k( 311) = ( 0.5661765 -0.1740541 0.4082483), wk = 0.0031250 k( 312) = ( 0.5588235 -0.1867898 0.4082483), wk = 0.0031250 k( 313) = ( 0.5514706 -0.1995255 0.4082483), wk = 0.0031250 k( 314) = ( 0.5441177 -0.2122611 0.4082483), wk = 0.0031250 k( 315) = ( 0.5367647 -0.2249968 0.4082483), wk = 0.0031250 k( 316) = ( 0.5294118 -0.2377325 0.4082483), wk = 0.0031250 k( 317) = ( 0.5220588 -0.2504681 0.4082483), wk = 0.0031250 k( 318) = ( 0.5147059 -0.2632038 0.4082483), wk = 0.0031250 k( 319) = ( 0.5073529 -0.2759395 0.4082483), wk = 0.0031250 k( 320) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031250 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 2) = ( 0.0104167 0.0000000 0.0104167), wk = 0.0031250 k( 3) = ( 0.0208333 -0.0000000 0.0208333), wk = 0.0031250 k( 4) = ( 0.0312500 0.0000000 0.0312500), wk = 0.0031250 k( 5) = ( 0.0416667 -0.0000000 0.0416667), wk = 0.0031250 k( 6) = ( 0.0520833 0.0000000 0.0520833), wk = 0.0031250 k( 7) = ( 0.0625000 0.0000000 0.0625000), wk = 0.0031250 k( 8) = ( 0.0729167 -0.0000000 0.0729167), wk = 0.0031250 k( 9) = ( 0.0833333 -0.0000000 0.0833333), wk = 0.0031250 k( 10) = ( 0.0937500 -0.0000000 0.0937500), wk = 0.0031250 k( 11) = ( 0.1041667 0.0000000 0.1041667), wk = 0.0031250 k( 12) = ( 0.1145833 0.0000000 0.1145833), wk = 0.0031250 k( 13) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0031250 k( 14) = ( 0.1354167 0.0000000 0.1354167), wk = 0.0031250 k( 15) = ( 0.1458333 0.0000000 0.1458333), wk = 0.0031250 k( 16) = ( 0.1562500 0.0000000 0.1562500), wk = 0.0031250 k( 17) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0031250 k( 18) = ( 0.1770833 0.0000000 0.1770833), wk = 0.0031250 k( 19) = ( 0.1875000 -0.0000000 0.1875000), wk = 0.0031250 k( 20) = ( 0.1979167 -0.0000000 0.1979167), wk = 0.0031250 k( 21) = ( 0.2083333 0.0000000 0.2083333), wk = 0.0031250 k( 22) = ( 0.2187500 0.0000000 0.2187500), wk = 0.0031250 k( 23) = ( 0.2291667 -0.0000000 0.2291667), wk = 0.0031250 k( 24) = ( 0.2395833 -0.0000000 0.2395833), wk = 0.0031250 k( 25) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0031250 k( 26) = ( 0.2604167 -0.0000000 0.2604167), wk = 0.0031250 k( 27) = ( 0.2708333 0.0000000 0.2708333), wk = 0.0031250 k( 28) = ( 0.2812500 -0.0000000 0.2812500), wk = 0.0031250 k( 29) = ( 0.2916667 0.0000000 0.2916667), wk = 0.0031250 k( 30) = ( 0.3020833 -0.0000000 0.3020833), wk = 0.0031250 k( 31) = ( 0.3125000 0.0000000 0.3125000), wk = 0.0031250 k( 32) = ( 0.3229167 0.0000000 0.3229167), wk = 0.0031250 k( 33) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0031250 k( 34) = ( 0.3437500 -0.0000000 0.3437500), wk = 0.0031250 k( 35) = ( 0.3541667 -0.0000000 0.3541667), wk = 0.0031250 k( 36) = ( 0.3645833 -0.0000000 0.3645833), wk = 0.0031250 k( 37) = ( 0.3750000 -0.0000000 0.3750000), wk = 0.0031250 k( 38) = ( 0.3854167 0.0000000 0.3854167), wk = 0.0031250 k( 39) = ( 0.3958333 0.0000000 0.3958333), wk = 0.0031250 k( 40) = ( 0.4062500 0.0000000 0.4062500), wk = 0.0031250 k( 41) = ( 0.4166667 -0.0000000 0.4166667), wk = 0.0031250 k( 42) = ( 0.4270833 -0.0000000 0.4270833), wk = 0.0031250 k( 43) = ( 0.4375000 0.0000000 0.4375000), wk = 0.0031250 k( 44) = ( 0.4479167 0.0000000 0.4479167), wk = 0.0031250 k( 45) = ( 0.4583333 0.0000000 0.4583333), wk = 0.0031250 k( 46) = ( 0.4687500 0.0000000 0.4687500), wk = 0.0031250 k( 47) = ( 0.4791667 -0.0000000 0.4791667), wk = 0.0031250 k( 48) = ( 0.4895833 0.0000000 0.4895833), wk = 0.0031250 k( 49) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031250 k( 50) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031250 k( 51) = ( 0.5000000 0.0104167 0.5104167), wk = 0.0031250 k( 52) = ( 0.5000000 0.0208333 0.5208333), wk = 0.0031250 k( 53) = ( 0.5000000 0.0312500 0.5312500), wk = 0.0031250 k( 54) = ( 0.5000000 0.0416667 0.5416667), wk = 0.0031250 k( 55) = ( 0.5000000 0.0520833 0.5520833), wk = 0.0031250 k( 56) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0031250 k( 57) = ( 0.5000000 0.0729167 0.5729167), wk = 0.0031250 k( 58) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0031250 k( 59) = ( 0.5000000 0.0937500 0.5937500), wk = 0.0031250 k( 60) = ( 0.5000000 0.1041667 0.6041667), wk = 0.0031250 k( 61) = ( 0.5000000 0.1145833 0.6145833), wk = 0.0031250 k( 62) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0031250 k( 63) = ( 0.5000000 0.1354167 0.6354167), wk = 0.0031250 k( 64) = ( 0.5000000 0.1458333 0.6458333), wk = 0.0031250 k( 65) = ( 0.5000000 0.1562500 0.6562500), wk = 0.0031250 k( 66) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0031250 k( 67) = ( 0.5000000 0.1770833 0.6770833), wk = 0.0031250 k( 68) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0031250 k( 69) = ( 0.5000000 0.1979167 0.6979167), wk = 0.0031250 k( 70) = ( 0.5000000 0.2083333 0.7083333), wk = 0.0031250 k( 71) = ( 0.5000000 0.2187500 0.7187500), wk = 0.0031250 k( 72) = ( 0.5000000 0.2291667 0.7291667), wk = 0.0031250 k( 73) = ( 0.5000000 0.2395833 0.7395833), wk = 0.0031250 k( 74) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031250 k( 75) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031250 k( 76) = ( 0.4926471 0.2573529 0.7500000), wk = 0.0031250 k( 77) = ( 0.4852941 0.2647059 0.7500000), wk = 0.0031250 k( 78) = ( 0.4779412 0.2720588 0.7500000), wk = 0.0031250 k( 79) = ( 0.4705882 0.2794118 0.7500000), wk = 0.0031250 k( 80) = ( 0.4632353 0.2867647 0.7500000), wk = 0.0031250 k( 81) = ( 0.4558823 0.2941177 0.7500000), wk = 0.0031250 k( 82) = ( 0.4485294 0.3014706 0.7500000), wk = 0.0031250 k( 83) = ( 0.4411765 0.3088235 0.7500000), wk = 0.0031250 k( 84) = ( 0.4338235 0.3161765 0.7500000), wk = 0.0031250 k( 85) = ( 0.4264706 0.3235294 0.7500000), wk = 0.0031250 k( 86) = ( 0.4191177 0.3308823 0.7500000), wk = 0.0031250 k( 87) = ( 0.4117647 0.3382353 0.7500000), wk = 0.0031250 k( 88) = ( 0.4044118 0.3455882 0.7500000), wk = 0.0031250 k( 89) = ( 0.3970588 0.3529412 0.7500000), wk = 0.0031250 k( 90) = ( 0.3897059 0.3602941 0.7500000), wk = 0.0031250 k( 91) = ( 0.3823529 0.3676471 0.7500000), wk = 0.0031250 k( 92) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031250 k( 93) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031250 k( 94) = ( 0.3676471 0.3676471 0.7352941), wk = 0.0031250 k( 95) = ( 0.3602941 0.3602941 0.7205882), wk = 0.0031250 k( 96) = ( 0.3529412 0.3529412 0.7058823), wk = 0.0031250 k( 97) = ( 0.3455882 0.3455882 0.6911765), wk = 0.0031250 k( 98) = ( 0.3382353 0.3382353 0.6764706), wk = 0.0031250 k( 99) = ( 0.3308823 0.3308823 0.6617647), wk = 0.0031250 k( 100) = ( 0.3235294 0.3235294 0.6470588), wk = 0.0031250 k( 101) = ( 0.3161765 0.3161765 0.6323529), wk = 0.0031250 k( 102) = ( 0.3088235 0.3088235 0.6176471), wk = 0.0031250 k( 103) = ( 0.3014706 0.3014706 0.6029412), wk = 0.0031250 k( 104) = ( 0.2941177 0.2941177 0.5882353), wk = 0.0031250 k( 105) = ( 0.2867647 0.2867647 0.5735294), wk = 0.0031250 k( 106) = ( 0.2794118 0.2794118 0.5588235), wk = 0.0031250 k( 107) = ( 0.2720588 0.2720588 0.5441177), wk = 0.0031250 k( 108) = ( 0.2647059 0.2647059 0.5294118), wk = 0.0031250 k( 109) = ( 0.2573529 0.2573529 0.5147059), wk = 0.0031250 k( 110) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0031250 k( 111) = ( 0.2426471 0.2426471 0.4852941), wk = 0.0031250 k( 112) = ( 0.2352941 0.2352941 0.4705882), wk = 0.0031250 k( 113) = ( 0.2279412 0.2279412 0.4558824), wk = 0.0031250 k( 114) = ( 0.2205882 0.2205882 0.4411765), wk = 0.0031250 k( 115) = ( 0.2132353 0.2132353 0.4264706), wk = 0.0031250 k( 116) = ( 0.2058823 0.2058823 0.4117647), wk = 0.0031250 k( 117) = ( 0.1985294 0.1985294 0.3970588), wk = 0.0031250 k( 118) = ( 0.1911765 0.1911765 0.3823529), wk = 0.0031250 k( 119) = ( 0.1838235 0.1838235 0.3676471), wk = 0.0031250 k( 120) = ( 0.1764706 0.1764706 0.3529412), wk = 0.0031250 k( 121) = ( 0.1691177 0.1691177 0.3382353), wk = 0.0031250 k( 122) = ( 0.1617647 0.1617647 0.3235294), wk = 0.0031250 k( 123) = ( 0.1544118 0.1544118 0.3088235), wk = 0.0031250 k( 124) = ( 0.1470588 0.1470588 0.2941177), wk = 0.0031250 k( 125) = ( 0.1397059 0.1397059 0.2794118), wk = 0.0031250 k( 126) = ( 0.1323529 0.1323529 0.2647059), wk = 0.0031250 k( 127) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0031250 k( 128) = ( 0.1176471 0.1176471 0.2352941), wk = 0.0031250 k( 129) = ( 0.1102941 0.1102941 0.2205882), wk = 0.0031250 k( 130) = ( 0.1029412 0.1029412 0.2058824), wk = 0.0031250 k( 131) = ( 0.0955882 0.0955882 0.1911765), wk = 0.0031250 k( 132) = ( 0.0882353 0.0882353 0.1764706), wk = 0.0031250 k( 133) = ( 0.0808824 0.0808824 0.1617647), wk = 0.0031250 k( 134) = ( 0.0735294 0.0735294 0.1470588), wk = 0.0031250 k( 135) = ( 0.0661765 0.0661765 0.1323529), wk = 0.0031250 k( 136) = ( 0.0588235 0.0588235 0.1176471), wk = 0.0031250 k( 137) = ( 0.0514706 0.0514706 0.1029412), wk = 0.0031250 k( 138) = ( 0.0441177 0.0441177 0.0882353), wk = 0.0031250 k( 139) = ( 0.0367647 0.0367647 0.0735294), wk = 0.0031250 k( 140) = ( 0.0294118 0.0294118 0.0588235), wk = 0.0031250 k( 141) = ( 0.0220588 0.0220588 0.0441177), wk = 0.0031250 k( 142) = ( 0.0147059 0.0147059 0.0294118), wk = 0.0031250 k( 143) = ( 0.0073529 0.0073529 0.0147059), wk = 0.0031250 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 146) = ( 0.0119048 0.0119048 0.0119048), wk = 0.0031250 k( 147) = ( 0.0238095 0.0238095 0.0238095), wk = 0.0031250 k( 148) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0031250 k( 149) = ( 0.0476191 0.0476191 0.0476191), wk = 0.0031250 k( 150) = ( 0.0595238 0.0595238 0.0595238), wk = 0.0031250 k( 151) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0031250 k( 152) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0031250 k( 153) = ( 0.0952381 0.0952381 0.0952381), wk = 0.0031250 k( 154) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0031250 k( 155) = ( 0.1190476 0.1190476 0.1190476), wk = 0.0031250 k( 156) = ( 0.1309524 0.1309524 0.1309524), wk = 0.0031250 k( 157) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0031250 k( 158) = ( 0.1547619 0.1547619 0.1547619), wk = 0.0031250 k( 159) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0031250 k( 160) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0031250 k( 161) = ( 0.1904762 0.1904762 0.1904762), wk = 0.0031250 k( 162) = ( 0.2023810 0.2023810 0.2023810), wk = 0.0031250 k( 163) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0031250 k( 164) = ( 0.2261905 0.2261905 0.2261905), wk = 0.0031250 k( 165) = ( 0.2380952 0.2380952 0.2380952), wk = 0.0031250 k( 166) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031250 k( 167) = ( 0.2619048 0.2619048 0.2619048), wk = 0.0031250 k( 168) = ( 0.2738095 0.2738095 0.2738095), wk = 0.0031250 k( 169) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0031250 k( 170) = ( 0.2976190 0.2976190 0.2976190), wk = 0.0031250 k( 171) = ( 0.3095238 0.3095238 0.3095238), wk = 0.0031250 k( 172) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0031250 k( 173) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0031250 k( 174) = ( 0.3452381 0.3452381 0.3452381), wk = 0.0031250 k( 175) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0031250 k( 176) = ( 0.3690476 0.3690476 0.3690476), wk = 0.0031250 k( 177) = ( 0.3809524 0.3809524 0.3809524), wk = 0.0031250 k( 178) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0031250 k( 179) = ( 0.4047619 0.4047619 0.4047619), wk = 0.0031250 k( 180) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0031250 k( 181) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0031250 k( 182) = ( 0.4404762 0.4404762 0.4404762), wk = 0.0031250 k( 183) = ( 0.4523810 0.4523810 0.4523810), wk = 0.0031250 k( 184) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0031250 k( 185) = ( 0.4761905 0.4761905 0.4761905), wk = 0.0031250 k( 186) = ( 0.4880952 0.4880952 0.4880952), wk = 0.0031250 k( 187) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031250 k( 188) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031250 k( 189) = ( 0.5041667 0.4916667 0.5041667), wk = 0.0031250 k( 190) = ( 0.5083333 0.4833333 0.5083333), wk = 0.0031250 k( 191) = ( 0.5125000 0.4750000 0.5125000), wk = 0.0031250 k( 192) = ( 0.5166667 0.4666667 0.5166667), wk = 0.0031250 k( 193) = ( 0.5208333 0.4583333 0.5208333), wk = 0.0031250 k( 194) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0031250 k( 195) = ( 0.5291667 0.4416667 0.5291667), wk = 0.0031250 k( 196) = ( 0.5333333 0.4333333 0.5333333), wk = 0.0031250 k( 197) = ( 0.5375000 0.4250000 0.5375000), wk = 0.0031250 k( 198) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0031250 k( 199) = ( 0.5458333 0.4083333 0.5458333), wk = 0.0031250 k( 200) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0031250 k( 201) = ( 0.5541667 0.3916667 0.5541667), wk = 0.0031250 k( 202) = ( 0.5583333 0.3833333 0.5583333), wk = 0.0031250 k( 203) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0031250 k( 204) = ( 0.5666667 0.3666667 0.5666667), wk = 0.0031250 k( 205) = ( 0.5708333 0.3583333 0.5708333), wk = 0.0031250 k( 206) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0031250 k( 207) = ( 0.5791667 0.3416667 0.5791667), wk = 0.0031250 k( 208) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0031250 k( 209) = ( 0.5875000 0.3250000 0.5875000), wk = 0.0031250 k( 210) = ( 0.5916667 0.3166667 0.5916667), wk = 0.0031250 k( 211) = ( 0.5958333 0.3083333 0.5958333), wk = 0.0031250 k( 212) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0031250 k( 213) = ( 0.6041667 0.2916667 0.6041667), wk = 0.0031250 k( 214) = ( 0.6083333 0.2833333 0.6083333), wk = 0.0031250 k( 215) = ( 0.6125000 0.2750000 0.6125000), wk = 0.0031250 k( 216) = ( 0.6166667 0.2666667 0.6166667), wk = 0.0031250 k( 217) = ( 0.6208333 0.2583333 0.6208333), wk = 0.0031250 k( 218) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031250 k( 219) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031250 k( 220) = ( 0.6176471 0.2500000 0.6323529), wk = 0.0031250 k( 221) = ( 0.6102941 0.2500000 0.6397059), wk = 0.0031250 k( 222) = ( 0.6029412 0.2500000 0.6470588), wk = 0.0031250 k( 223) = ( 0.5955882 0.2500000 0.6544118), wk = 0.0031250 k( 224) = ( 0.5882353 0.2500000 0.6617647), wk = 0.0031250 k( 225) = ( 0.5808823 0.2500000 0.6691177), wk = 0.0031250 k( 226) = ( 0.5735294 0.2500000 0.6764706), wk = 0.0031250 k( 227) = ( 0.5661765 0.2500000 0.6838235), wk = 0.0031250 k( 228) = ( 0.5588235 0.2500000 0.6911765), wk = 0.0031250 k( 229) = ( 0.5514706 0.2500000 0.6985294), wk = 0.0031250 k( 230) = ( 0.5441177 0.2500000 0.7058823), wk = 0.0031250 k( 231) = ( 0.5367647 0.2500000 0.7132353), wk = 0.0031250 k( 232) = ( 0.5294118 0.2500000 0.7205882), wk = 0.0031250 k( 233) = ( 0.5220588 0.2500000 0.7279412), wk = 0.0031250 k( 234) = ( 0.5147059 0.2500000 0.7352941), wk = 0.0031250 k( 235) = ( 0.5073529 0.2500000 0.7426471), wk = 0.0031250 k( 236) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031250 k( 237) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031250 k( 238) = ( 0.5000000 0.2573529 0.7426471), wk = 0.0031250 k( 239) = ( 0.5000000 0.2647059 0.7352941), wk = 0.0031250 k( 240) = ( 0.5000000 0.2720588 0.7279412), wk = 0.0031250 k( 241) = ( 0.5000000 0.2794118 0.7205882), wk = 0.0031250 k( 242) = ( 0.5000000 0.2867647 0.7132353), wk = 0.0031250 k( 243) = ( 0.5000000 0.2941177 0.7058823), wk = 0.0031250 k( 244) = ( 0.5000000 0.3014706 0.6985294), wk = 0.0031250 k( 245) = ( 0.5000000 0.3088235 0.6911765), wk = 0.0031250 k( 246) = ( 0.5000000 0.3161765 0.6838235), wk = 0.0031250 k( 247) = ( 0.5000000 0.3235294 0.6764706), wk = 0.0031250 k( 248) = ( 0.5000000 0.3308823 0.6691177), wk = 0.0031250 k( 249) = ( 0.5000000 0.3382353 0.6617647), wk = 0.0031250 k( 250) = ( 0.5000000 0.3455882 0.6544118), wk = 0.0031250 k( 251) = ( 0.5000000 0.3529412 0.6470588), wk = 0.0031250 k( 252) = ( 0.5000000 0.3602941 0.6397059), wk = 0.0031250 k( 253) = ( 0.5000000 0.3676471 0.6323529), wk = 0.0031250 k( 254) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0031250 k( 255) = ( 0.5000000 0.3823529 0.6176471), wk = 0.0031250 k( 256) = ( 0.5000000 0.3897059 0.6102941), wk = 0.0031250 k( 257) = ( 0.5000000 0.3970588 0.6029412), wk = 0.0031250 k( 258) = ( 0.5000000 0.4044118 0.5955882), wk = 0.0031250 k( 259) = ( 0.5000000 0.4117647 0.5882353), wk = 0.0031250 k( 260) = ( 0.5000000 0.4191177 0.5808823), wk = 0.0031250 k( 261) = ( 0.5000000 0.4264706 0.5735294), wk = 0.0031250 k( 262) = ( 0.5000000 0.4338235 0.5661765), wk = 0.0031250 k( 263) = ( 0.5000000 0.4411765 0.5588235), wk = 0.0031250 k( 264) = ( 0.5000000 0.4485294 0.5514706), wk = 0.0031250 k( 265) = ( 0.5000000 0.4558824 0.5441177), wk = 0.0031250 k( 266) = ( 0.5000000 0.4632353 0.5367647), wk = 0.0031250 k( 267) = ( 0.5000000 0.4705882 0.5294118), wk = 0.0031250 k( 268) = ( 0.5000000 0.4779412 0.5220588), wk = 0.0031250 k( 269) = ( 0.5000000 0.4852941 0.5147059), wk = 0.0031250 k( 270) = ( 0.5000000 0.4926471 0.5073529), wk = 0.0031250 k( 271) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031250 k( 272) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031250 k( 273) = ( 0.4958333 0.4958333 0.5083333), wk = 0.0031250 k( 274) = ( 0.4916667 0.4916667 0.5166667), wk = 0.0031250 k( 275) = ( 0.4875000 0.4875000 0.5250000), wk = 0.0031250 k( 276) = ( 0.4833333 0.4833333 0.5333333), wk = 0.0031250 k( 277) = ( 0.4791667 0.4791667 0.5416667), wk = 0.0031250 k( 278) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0031250 k( 279) = ( 0.4708333 0.4708333 0.5583333), wk = 0.0031250 k( 280) = ( 0.4666667 0.4666667 0.5666667), wk = 0.0031250 k( 281) = ( 0.4625000 0.4625000 0.5750000), wk = 0.0031250 k( 282) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0031250 k( 283) = ( 0.4541667 0.4541667 0.5916667), wk = 0.0031250 k( 284) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0031250 k( 285) = ( 0.4458333 0.4458333 0.6083333), wk = 0.0031250 k( 286) = ( 0.4416667 0.4416667 0.6166667), wk = 0.0031250 k( 287) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0031250 k( 288) = ( 0.4333333 0.4333333 0.6333333), wk = 0.0031250 k( 289) = ( 0.4291667 0.4291667 0.6416667), wk = 0.0031250 k( 290) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0031250 k( 291) = ( 0.4208333 0.4208333 0.6583333), wk = 0.0031250 k( 292) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0031250 k( 293) = ( 0.4125000 0.4125000 0.6750000), wk = 0.0031250 k( 294) = ( 0.4083333 0.4083333 0.6833333), wk = 0.0031250 k( 295) = ( 0.4041667 0.4041667 0.6916667), wk = 0.0031250 k( 296) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0031250 k( 297) = ( 0.3958333 0.3958333 0.7083333), wk = 0.0031250 k( 298) = ( 0.3916667 0.3916667 0.7166667), wk = 0.0031250 k( 299) = ( 0.3875000 0.3875000 0.7250000), wk = 0.0031250 k( 300) = ( 0.3833333 0.3833333 0.7333333), wk = 0.0031250 k( 301) = ( 0.3791667 0.3791667 0.7416667), wk = 0.0031250 k( 302) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031250 k( 303) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031250 k( 304) = ( 0.6176471 0.2352941 0.6176471), wk = 0.0031250 k( 305) = ( 0.6102941 0.2205882 0.6102941), wk = 0.0031250 k( 306) = ( 0.6029412 0.2058823 0.6029412), wk = 0.0031250 k( 307) = ( 0.5955882 0.1911765 0.5955882), wk = 0.0031250 k( 308) = ( 0.5882353 0.1764706 0.5882353), wk = 0.0031250 k( 309) = ( 0.5808823 0.1617647 0.5808824), wk = 0.0031250 k( 310) = ( 0.5735294 0.1470588 0.5735294), wk = 0.0031250 k( 311) = ( 0.5661765 0.1323529 0.5661765), wk = 0.0031250 k( 312) = ( 0.5588235 0.1176471 0.5588235), wk = 0.0031250 k( 313) = ( 0.5514706 0.1029412 0.5514706), wk = 0.0031250 k( 314) = ( 0.5441177 0.0882353 0.5441177), wk = 0.0031250 k( 315) = ( 0.5367647 0.0735294 0.5367647), wk = 0.0031250 k( 316) = ( 0.5294118 0.0588235 0.5294118), wk = 0.0031250 k( 317) = ( 0.5220588 0.0441176 0.5220588), wk = 0.0031250 k( 318) = ( 0.5147059 0.0294118 0.5147059), wk = 0.0031250 k( 319) = ( 0.5073529 0.0147059 0.5073529), wk = 0.0031250 k( 320) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031250 Dense grid: 70049 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 66923 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.28 Mb ( 478, 38) NL pseudopotentials 0.35 Mb ( 239, 96) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1945) G-vector shells 0.00 Mb ( 474) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.11 Mb ( 478, 152) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.11 Mb ( 96, 2, 38) The potential is recalculated from file : ./Li2TlAu.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 3.5 secs Computing kpt #: 2 total cpu time spent up to now is 4.4 secs Computing kpt #: 3 total cpu time spent up to now is 5.4 secs Computing kpt #: 4 total cpu time spent up to now is 6.4 secs Computing kpt #: 5 total cpu time spent up to now is 7.6 secs Computing kpt #: 6 total cpu time spent up to now is 8.7 secs Computing kpt #: 7 total cpu time spent up to now is 9.7 secs Computing kpt #: 8 total cpu time spent up to now is 10.7 secs Computing kpt #: 9 total cpu time spent up to now is 11.7 secs Computing kpt #: 10 total cpu time spent up to now is 12.6 secs Computing kpt #: 11 total cpu time spent up to now is 13.5 secs Computing kpt #: 12 total cpu time spent up to now is 14.3 secs Computing kpt #: 13 total cpu time spent up to now is 15.2 secs Computing kpt #: 14 total cpu time spent up to now is 16.0 secs Computing kpt #: 15 total cpu time spent up to now is 16.7 secs Computing kpt #: 16 total cpu time spent up to now is 17.5 secs Computing kpt #: 17 total cpu time spent up to now is 18.2 secs Computing kpt #: 18 total cpu time spent up to now is 18.9 secs Computing kpt #: 19 total cpu time spent up to now is 19.7 secs Computing kpt #: 20 total cpu time spent up to now is 20.4 secs Computing kpt #: 21 total cpu time spent up to now is 21.5 secs Computing kpt #: 22 total cpu time spent up to now is 22.2 secs Computing kpt #: 23 total cpu time spent up to now is 22.9 secs Computing kpt #: 24 total cpu time spent up to now is 23.6 secs Computing kpt #: 25 total cpu time spent up to now is 24.3 secs Computing kpt #: 26 total cpu time spent up to now is 25.0 secs Computing kpt #: 27 total cpu time spent up to now is 25.7 secs Computing kpt #: 28 total cpu time spent up to now is 26.4 secs Computing kpt #: 29 total cpu time spent up to now is 27.1 secs Computing kpt #: 30 total cpu time spent up to now is 27.9 secs Computing kpt #: 31 total cpu time spent up to now is 28.6 secs Computing kpt #: 32 total cpu time spent up to now is 29.3 secs Computing kpt #: 33 total cpu time spent up to now is 29.9 secs Computing kpt #: 34 total cpu time spent up to now is 30.6 secs Computing kpt #: 35 total cpu time spent up to now is 31.3 secs Computing kpt #: 36 total cpu time spent up to now is 31.9 secs Computing kpt #: 37 total cpu time spent up to now is 32.6 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 33.9 secs Computing kpt #: 40 total cpu time spent up to now is 34.5 secs Computing kpt #: 41 total cpu time spent up to now is 35.2 secs Computing kpt #: 42 total cpu time spent up to now is 36.1 secs Computing kpt #: 43 total cpu time spent up to now is 36.9 secs Computing kpt #: 44 total cpu time spent up to now is 37.6 secs Computing kpt #: 45 total cpu time spent up to now is 38.2 secs Computing kpt #: 46 total cpu time spent up to now is 38.8 secs Computing kpt #: 47 total cpu time spent up to now is 39.5 secs Computing kpt #: 48 total cpu time spent up to now is 40.1 secs Computing kpt #: 49 total cpu time spent up to now is 40.7 secs Computing kpt #: 50 total cpu time spent up to now is 41.3 secs Computing kpt #: 51 total cpu time spent up to now is 41.9 secs Computing kpt #: 52 total cpu time spent up to now is 42.5 secs Computing kpt #: 53 total cpu time spent up to now is 43.1 secs Computing kpt #: 54 total cpu time spent up to now is 43.7 secs Computing kpt #: 55 total cpu time spent up to now is 44.3 secs Computing kpt #: 56 total cpu time spent up to now is 44.9 secs Computing kpt #: 57 total cpu time spent up to now is 45.7 secs Computing kpt #: 58 total cpu time spent up to now is 46.3 secs Computing kpt #: 59 total cpu time spent up to now is 47.1 secs Computing kpt #: 60 total cpu time spent up to now is 47.7 secs Computing kpt #: 61 total cpu time spent up to now is 48.4 secs Computing kpt #: 62 total cpu time spent up to now is 49.1 secs Computing kpt #: 63 total cpu time spent up to now is 49.7 secs Computing kpt #: 64 total cpu time spent up to now is 50.5 secs Computing kpt #: 65 total cpu time spent up to now is 51.1 secs Computing kpt #: 66 total cpu time spent up to now is 51.8 secs Computing kpt #: 67 total cpu time spent up to now is 52.4 secs Computing kpt #: 68 total cpu time spent up to now is 53.1 secs Computing kpt #: 69 total cpu time spent up to now is 53.7 secs Computing kpt #: 70 total cpu time spent up to now is 54.5 secs Computing kpt #: 71 total cpu time spent up to now is 55.1 secs Computing kpt #: 72 total cpu time spent up to now is 55.8 secs Computing kpt #: 73 total cpu time spent up to now is 56.5 secs Computing kpt #: 74 total cpu time spent up to now is 57.2 secs Computing kpt #: 75 total cpu time spent up to now is 57.8 secs Computing kpt #: 76 total cpu time spent up to now is 58.5 secs Computing kpt #: 77 total cpu time spent up to now is 59.3 secs Computing kpt #: 78 total cpu time spent up to now is 60.1 secs Computing kpt #: 79 total cpu time spent up to now is 60.9 secs Computing kpt #: 80 total cpu time spent up to now is 61.6 secs Computing kpt #: 81 total cpu time spent up to now is 62.4 secs Computing kpt #: 82 total cpu time spent up to now is 63.2 secs Computing kpt #: 83 total cpu time spent up to now is 63.9 secs Computing kpt #: 84 total cpu time spent up to now is 64.7 secs Computing kpt #: 85 total cpu time spent up to now is 65.5 secs Computing kpt #: 86 total cpu time spent up to now is 66.3 secs Computing kpt #: 87 total cpu time spent up to now is 67.0 secs Computing kpt #: 88 total cpu time spent up to now is 67.7 secs Computing kpt #: 89 total cpu time spent up to now is 68.5 secs Computing kpt #: 90 total cpu time spent up to now is 69.2 secs Computing kpt #: 91 total cpu time spent up to now is 70.0 secs Computing kpt #: 92 total cpu time spent up to now is 70.7 secs Computing kpt #: 93 total cpu time spent up to now is 71.6 secs Computing kpt #: 94 total cpu time spent up to now is 72.4 secs Computing kpt #: 95 total cpu time spent up to now is 73.1 secs Computing kpt #: 96 total cpu time spent up to now is 73.8 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 75.4 secs Computing kpt #: 99 total cpu time spent up to now is 76.3 secs Computing kpt #: 100 total cpu time spent up to now is 77.2 secs Computing kpt #: 101 total cpu time spent up to now is 78.1 secs Computing kpt #: 102 total cpu time spent up to now is 79.1 secs Computing kpt #: 103 total cpu time spent up to now is 80.0 secs Computing kpt #: 104 total cpu time spent up to now is 80.9 secs Computing kpt #: 105 total cpu time spent up to now is 81.9 secs Computing kpt #: 106 total cpu time spent up to now is 82.8 secs Computing kpt #: 107 total cpu time spent up to now is 83.7 secs Computing kpt #: 108 total cpu time spent up to now is 84.5 secs Computing kpt #: 109 total cpu time spent up to now is 85.3 secs Computing kpt #: 110 total cpu time spent up to now is 86.1 secs Computing kpt #: 111 total cpu time spent up to now is 87.1 secs Computing kpt #: 112 total cpu time spent up to now is 87.9 secs Computing kpt #: 113 total cpu time spent up to now is 88.8 secs Computing kpt #: 114 total cpu time spent up to now is 89.7 secs Computing kpt #: 115 total cpu time spent up to now is 90.4 secs Computing kpt #: 116 total cpu time spent up to now is 91.2 secs Computing kpt #: 117 total cpu time spent up to now is 92.1 secs Computing kpt #: 118 total cpu time spent up to now is 92.8 secs Computing kpt #: 119 total cpu time spent up to now is 93.6 secs Computing kpt #: 120 total cpu time spent up to now is 94.5 secs Computing kpt #: 121 total cpu time spent up to now is 95.3 secs Computing kpt #: 122 total cpu time spent up to now is 96.1 secs Computing kpt #: 123 total cpu time spent up to now is 96.9 secs Computing kpt #: 124 total cpu time spent up to now is 97.7 secs Computing kpt #: 125 total cpu time spent up to now is 98.5 secs Computing kpt #: 126 total cpu time spent up to now is 99.3 secs Computing kpt #: 127 total cpu time spent up to now is 100.3 secs Computing kpt #: 128 total cpu time spent up to now is 101.1 secs Computing kpt #: 129 total cpu time spent up to now is 101.9 secs Computing kpt #: 130 total cpu time spent up to now is 102.9 secs Computing kpt #: 131 total cpu time spent up to now is 103.9 secs Computing kpt #: 132 total cpu time spent up to now is 104.9 secs Computing kpt #: 133 total cpu time spent up to now is 105.9 secs Computing kpt #: 134 total cpu time spent up to now is 106.9 secs Computing kpt #: 135 total cpu time spent up to now is 107.9 secs Computing kpt #: 136 total cpu time spent up to now is 108.9 secs Computing kpt #: 137 total cpu time spent up to now is 109.8 secs Computing kpt #: 138 total cpu time spent up to now is 110.8 secs Computing kpt #: 139 total cpu time spent up to now is 111.7 secs Computing kpt #: 140 total cpu time spent up to now is 112.7 secs Computing kpt #: 141 total cpu time spent up to now is 113.7 secs Computing kpt #: 142 total cpu time spent up to now is 114.6 secs Computing kpt #: 143 total cpu time spent up to now is 115.6 secs Computing kpt #: 144 total cpu time spent up to now is 116.5 secs Computing kpt #: 145 total cpu time spent up to now is 117.3 secs Computing kpt #: 146 total cpu time spent up to now is 118.2 secs Computing kpt #: 147 total cpu time spent up to now is 119.1 secs Computing kpt #: 148 total cpu time spent up to now is 120.2 secs Computing kpt #: 149 total cpu time spent up to now is 121.2 secs Computing kpt #: 150 total cpu time spent up to now is 122.1 secs Computing kpt #: 151 total cpu time spent up to now is 123.1 secs Computing kpt #: 152 total cpu time spent up to now is 124.0 secs Computing kpt #: 153 total cpu time spent up to now is 124.9 secs Computing kpt #: 154 total cpu time spent up to now is 125.8 secs Computing kpt #: 155 total cpu time spent up to now is 126.7 secs Computing kpt #: 156 total cpu time spent up to now is 127.6 secs Computing kpt #: 157 total cpu time spent up to now is 128.6 secs Computing kpt #: 158 total cpu time spent up to now is 129.4 secs Computing kpt #: 159 total cpu time spent up to now is 130.2 secs Computing kpt #: 160 total cpu time spent up to now is 131.0 secs Computing kpt #: 161 total cpu time spent up to now is 131.8 secs Computing kpt #: 162 total cpu time spent up to now is 132.6 secs Computing kpt #: 163 total cpu time spent up to now is 133.4 secs Computing kpt #: 164 total cpu time spent up to now is 134.2 secs Computing kpt #: 165 total cpu time spent up to now is 135.0 secs Computing kpt #: 166 total cpu time spent up to now is 135.8 secs Computing kpt #: 167 total cpu time spent up to now is 136.5 secs Computing kpt #: 168 total cpu time spent up to now is 137.3 secs Computing kpt #: 169 total cpu time spent up to now is 138.0 secs Computing kpt #: 170 total cpu time spent up to now is 138.8 secs Computing kpt #: 171 total cpu time spent up to now is 139.5 secs Computing kpt #: 172 total cpu time spent up to now is 140.2 secs Computing kpt #: 173 total cpu time spent up to now is 140.9 secs Computing kpt #: 174 total cpu time spent up to now is 141.6 secs Computing kpt #: 175 total cpu time spent up to now is 142.4 secs Computing kpt #: 176 total cpu time spent up to now is 143.1 secs Computing kpt #: 177 total cpu time spent up to now is 143.8 secs Computing kpt #: 178 total cpu time spent up to now is 144.5 secs Computing kpt #: 179 total cpu time spent up to now is 145.1 secs Computing kpt #: 180 total cpu time spent up to now is 145.6 secs Computing kpt #: 181 total cpu time spent up to now is 146.2 secs Computing kpt #: 182 total cpu time spent up to now is 146.8 secs Computing kpt #: 183 total cpu time spent up to now is 147.4 secs Computing kpt #: 184 total cpu time spent up to now is 148.0 secs Computing kpt #: 185 total cpu time spent up to now is 148.6 secs Computing kpt #: 186 total cpu time spent up to now is 149.2 secs Computing kpt #: 187 total cpu time spent up to now is 149.8 secs Computing kpt #: 188 total cpu time spent up to now is 150.4 secs Computing kpt #: 189 total cpu time spent up to now is 151.0 secs Computing kpt #: 190 total cpu time spent up to now is 151.6 secs Computing kpt #: 191 total cpu time spent up to now is 152.2 secs Computing kpt #: 192 total cpu time spent up to now is 152.8 secs Computing kpt #: 193 total cpu time spent up to now is 153.4 secs Computing kpt #: 194 total cpu time spent up to now is 154.0 secs Computing kpt #: 195 total cpu time spent up to now is 154.6 secs Computing kpt #: 196 total cpu time spent up to now is 155.2 secs Computing kpt #: 197 total cpu time spent up to now is 155.8 secs Computing kpt #: 198 total cpu time spent up to now is 156.4 secs Computing kpt #: 199 total cpu time spent up to now is 157.0 secs Computing kpt #: 200 total cpu time spent up to now is 157.6 secs Computing kpt #: 201 total cpu time spent up to now is 158.2 secs Computing kpt #: 202 total cpu time spent up to now is 158.8 secs Computing kpt #: 203 total cpu time spent up to now is 159.5 secs Computing kpt #: 204 total cpu time spent up to now is 160.1 secs Computing kpt #: 205 total cpu time spent up to now is 160.8 secs Computing kpt #: 206 total cpu time spent up to now is 161.5 secs Computing kpt #: 207 total cpu time spent up to now is 162.2 secs Computing kpt #: 208 total cpu time spent up to now is 162.9 secs Computing kpt #: 209 total cpu time spent up to now is 163.6 secs Computing kpt #: 210 total cpu time spent up to now is 164.4 secs Computing kpt #: 211 total cpu time spent up to now is 165.2 secs Computing kpt #: 212 total cpu time spent up to now is 165.9 secs Computing kpt #: 213 total cpu time spent up to now is 166.6 secs Computing kpt #: 214 total cpu time spent up to now is 167.4 secs Computing kpt #: 215 total cpu time spent up to now is 168.2 secs Computing kpt #: 216 total cpu time spent up to now is 168.9 secs Computing kpt #: 217 total cpu time spent up to now is 169.7 secs Computing kpt #: 218 total cpu time spent up to now is 170.4 secs Computing kpt #: 219 total cpu time spent up to now is 171.2 secs Computing kpt #: 220 total cpu time spent up to now is 172.0 secs Computing kpt #: 221 total cpu time spent up to now is 172.7 secs Computing kpt #: 222 total cpu time spent up to now is 173.4 secs Computing kpt #: 223 total cpu time spent up to now is 174.2 secs Computing kpt #: 224 total cpu time spent up to now is 175.0 secs Computing kpt #: 225 total cpu time spent up to now is 175.7 secs Computing kpt #: 226 total cpu time spent up to now is 176.4 secs Computing kpt #: 227 total cpu time spent up to now is 177.2 secs Computing kpt #: 228 total cpu time spent up to now is 178.0 secs Computing kpt #: 229 total cpu time spent up to now is 178.7 secs Computing kpt #: 230 total cpu time spent up to now is 179.4 secs Computing kpt #: 231 total cpu time spent up to now is 180.2 secs Computing kpt #: 232 total cpu time spent up to now is 181.0 secs Computing kpt #: 233 total cpu time spent up to now is 181.7 secs Computing kpt #: 234 total cpu time spent up to now is 182.4 secs Computing kpt #: 235 total cpu time spent up to now is 183.2 secs Computing kpt #: 236 total cpu time spent up to now is 183.9 secs Computing kpt #: 237 total cpu time spent up to now is 184.6 secs Computing kpt #: 238 total cpu time spent up to now is 185.4 secs Computing kpt #: 239 total cpu time spent up to now is 186.1 secs Computing kpt #: 240 total cpu time spent up to now is 186.8 secs Computing kpt #: 241 total cpu time spent up to now is 187.6 secs Computing kpt #: 242 total cpu time spent up to now is 188.4 secs Computing kpt #: 243 total cpu time spent up to now is 189.1 secs Computing kpt #: 244 total cpu time spent up to now is 189.9 secs Computing kpt #: 245 total cpu time spent up to now is 190.6 secs Computing kpt #: 246 total cpu time spent up to now is 191.2 secs Computing kpt #: 247 total cpu time spent up to now is 191.9 secs Computing kpt #: 248 total cpu time spent up to now is 192.6 secs Computing kpt #: 249 total cpu time spent up to now is 193.3 secs Computing kpt #: 250 total cpu time spent up to now is 194.0 secs Computing kpt #: 251 total cpu time spent up to now is 194.8 secs Computing kpt #: 252 total cpu time spent up to now is 195.6 secs Computing kpt #: 253 total cpu time spent up to now is 196.4 secs Computing kpt #: 254 total cpu time spent up to now is 197.2 secs Computing kpt #: 255 total cpu time spent up to now is 198.1 secs Computing kpt #: 256 total cpu time spent up to now is 198.9 secs Computing kpt #: 257 total cpu time spent up to now is 199.7 secs Computing kpt #: 258 total cpu time spent up to now is 200.4 secs Computing kpt #: 259 total cpu time spent up to now is 201.1 secs Computing kpt #: 260 total cpu time spent up to now is 201.7 secs Computing kpt #: 261 total cpu time spent up to now is 202.3 secs Computing kpt #: 262 total cpu time spent up to now is 202.8 secs Computing kpt #: 263 total cpu time spent up to now is 203.4 secs Computing kpt #: 264 total cpu time spent up to now is 204.0 secs Computing kpt #: 265 total cpu time spent up to now is 204.7 secs Computing kpt #: 266 total cpu time spent up to now is 205.3 secs Computing kpt #: 267 total cpu time spent up to now is 205.8 secs Computing kpt #: 268 total cpu time spent up to now is 206.5 secs Computing kpt #: 269 total cpu time spent up to now is 207.0 secs Computing kpt #: 270 total cpu time spent up to now is 207.6 secs Computing kpt #: 271 total cpu time spent up to now is 208.2 secs Computing kpt #: 272 total cpu time spent up to now is 208.8 secs Computing kpt #: 273 total cpu time spent up to now is 209.4 secs Computing kpt #: 274 total cpu time spent up to now is 210.0 secs Computing kpt #: 275 total cpu time spent up to now is 210.6 secs Computing kpt #: 276 total cpu time spent up to now is 211.2 secs Computing kpt #: 277 total cpu time spent up to now is 211.8 secs Computing kpt #: 278 total cpu time spent up to now is 212.4 secs Computing kpt #: 279 total cpu time spent up to now is 213.0 secs Computing kpt #: 280 total cpu time spent up to now is 213.6 secs Computing kpt #: 281 total cpu time spent up to now is 214.2 secs Computing kpt #: 282 total cpu time spent up to now is 214.8 secs Computing kpt #: 283 total cpu time spent up to now is 215.4 secs Computing kpt #: 284 total cpu time spent up to now is 216.0 secs Computing kpt #: 285 total cpu time spent up to now is 216.6 secs Computing kpt #: 286 total cpu time spent up to now is 217.3 secs Computing kpt #: 287 total cpu time spent up to now is 217.9 secs Computing kpt #: 288 total cpu time spent up to now is 218.6 secs Computing kpt #: 289 total cpu time spent up to now is 219.3 secs Computing kpt #: 290 total cpu time spent up to now is 220.0 secs Computing kpt #: 291 total cpu time spent up to now is 220.8 secs Computing kpt #: 292 total cpu time spent up to now is 221.4 secs Computing kpt #: 293 total cpu time spent up to now is 222.2 secs Computing kpt #: 294 total cpu time spent up to now is 223.0 secs Computing kpt #: 295 total cpu time spent up to now is 223.7 secs Computing kpt #: 296 total cpu time spent up to now is 224.5 secs Computing kpt #: 297 total cpu time spent up to now is 225.3 secs Computing kpt #: 298 total cpu time spent up to now is 226.0 secs Computing kpt #: 299 total cpu time spent up to now is 226.8 secs Computing kpt #: 300 total cpu time spent up to now is 227.6 secs Computing kpt #: 301 total cpu time spent up to now is 228.4 secs Computing kpt #: 302 total cpu time spent up to now is 229.1 secs Computing kpt #: 303 total cpu time spent up to now is 229.9 secs Computing kpt #: 304 total cpu time spent up to now is 230.6 secs Computing kpt #: 305 total cpu time spent up to now is 231.4 secs Computing kpt #: 306 total cpu time spent up to now is 232.1 secs Computing kpt #: 307 total cpu time spent up to now is 232.9 secs Computing kpt #: 308 total cpu time spent up to now is 233.6 secs Computing kpt #: 309 total cpu time spent up to now is 234.3 secs Computing kpt #: 310 total cpu time spent up to now is 235.0 secs Computing kpt #: 311 total cpu time spent up to now is 235.7 secs Computing kpt #: 312 total cpu time spent up to now is 236.4 secs Computing kpt #: 313 total cpu time spent up to now is 237.1 secs Computing kpt #: 314 total cpu time spent up to now is 237.8 secs Computing kpt #: 315 total cpu time spent up to now is 238.5 secs Computing kpt #: 316 total cpu time spent up to now is 239.1 secs Computing kpt #: 317 total cpu time spent up to now is 239.7 secs Computing kpt #: 318 total cpu time spent up to now is 240.4 secs Computing kpt #: 319 total cpu time spent up to now is 241.0 secs Computing kpt #: 320 total cpu time spent up to now is 241.5 secs ethr = 3.33E-08, avg # of iterations = 29.2 total cpu time spent up to now is 241.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8363 PWs) bands (ev): -37.3965 -37.3965 -36.9488 -36.9488 -3.4444 -3.4444 -3.4444 -3.4444 -1.3843 -1.3843 -1.3028 -1.3028 -1.3028 -1.3028 0.3081 0.3081 3.8725 3.8725 3.8725 3.8725 4.8611 4.8611 5.4689 5.4689 5.4689 5.4689 11.6816 11.6816 12.0797 12.0797 12.7419 12.7419 13.1883 13.1883 13.1883 13.1883 13.4979 13.4979 k = 0.0104-0.0060 0.0085 ( 8372 PWs) bands (ev): -37.3965 -37.3965 -36.9488 -36.9488 -3.4449 -3.4449 -3.4439 -3.4439 -1.3843 -1.3843 -1.3039 -1.3039 -1.3017 -1.3017 0.3094 0.3094 3.8694 3.8694 3.8758 3.8758 4.8612 4.8612 5.4658 5.4658 5.4717 5.4717 11.6609 11.6609 12.0803 12.0803 12.7188 12.7188 13.1639 13.1639 13.1751 13.1751 13.5269 13.5269 k = 0.0208-0.0120 0.0170 ( 8372 PWs) bands (ev): -37.3965 -37.3965 -36.9488 -36.9488 -3.4453 -3.4453 -3.4435 -3.4434 -1.3843 -1.3843 -1.3050 -1.3050 -1.3005 -1.3005 0.3132 0.3132 3.8664 3.8664 3.8793 3.8793 4.8614 4.8614 5.4624 5.4624 5.4742 5.4742 11.6044 11.6044 12.0755 12.0755 12.6524 12.6524 13.1197 13.1197 13.1525 13.1525 13.5982 13.5982 k = 0.0312-0.0180 0.0255 ( 8372 PWs) bands (ev): -37.3965 -37.3965 -36.9488 -36.9488 -3.4457 -3.4457 -3.4429 -3.4429 -1.3843 -1.3843 -1.3060 -1.3060 -1.2993 -1.2993 0.3197 0.3197 3.8636 3.8636 3.8831 3.8831 4.8619 4.8619 5.4588 5.4588 5.4764 5.4764 11.5229 11.5229 12.0537 12.0537 12.5522 12.5522 13.0802 13.0802 13.1441 13.1441 13.6891 13.6891 k = 0.0417-0.0241 0.0340 ( 8372 PWs) bands (ev): -37.3965 -37.3965 -36.9488 -36.9488 -3.4461 -3.4461 -3.4424 -3.4424 -1.3842 -1.3842 -1.3070 -1.3070 -1.2980 -1.2980 0.3287 0.3287 3.8608 3.8608 3.8870 3.8870 4.8626 4.8626 5.4549 5.4549 5.4784 5.4784 11.4247 11.4248 12.0079 12.0079 12.4304 12.4304 13.0474 13.0474 13.1598 13.1598 13.7872 13.7872 k = 0.0521-0.0301 0.0425 ( 8368 PWs) bands (ev): -37.3965 -37.3965 -36.9488 -36.9488 -3.4465 -3.4465 -3.4419 -3.4419 -1.3842 -1.3842 -1.3078 -1.3078 -1.2967 -1.2967 0.3402 0.3402 3.8583 3.8583 3.8912 3.8912 4.8634 4.8634 5.4507 5.4507 5.4802 5.4802 11.3154 11.3154 11.9380 11.9380 12.2963 12.2963 13.0181 13.0181 13.1993 13.1993 13.8851 13.8851 k = 0.0625-0.0361 0.0510 ( 8380 PWs) bands (ev): -37.3965 -37.3965 -36.9488 -36.9488 -3.4469 -3.4469 -3.4414 -3.4414 -1.3842 -1.3842 -1.3086 -1.3086 -1.2955 -1.2955 0.3543 0.3543 3.8558 3.8558 3.8956 3.8956 4.8645 4.8645 5.4463 5.4463 5.4818 5.4818 11.1981 11.1981 11.8483 11.8483 12.1556 12.1556 12.9902 12.9902 13.2574 13.2574 13.9764 13.9764 k = 0.0729-0.0421 0.0595 ( 8376 PWs) bands (ev): -37.3965 -37.3965 -36.9488 -36.9488 -3.4472 -3.4472 -3.4409 -3.4408 -1.3841 -1.3841 -1.3093 -1.3093 -1.2942 -1.2942 0.3710 0.3710 3.8533 3.8533 3.9003 3.9003 4.8657 4.8657 5.4417 5.4417 5.4832 5.4832 11.0746 11.0746 11.7440 11.7440 12.0112 12.0112 12.9622 12.9622 13.3281 13.3281 14.0501 14.0501 k = 0.0833-0.0481 0.0680 ( 8368 PWs) bands (ev): -37.3965 -37.3965 -36.9488 -36.9488 -3.4475 -3.4475 -3.4403 -3.4403 -1.3841 -1.3841 -1.3099 -1.3099 -1.2929 -1.2929 0.3901 0.3901 3.8510 3.8510 3.9052 3.9052 4.8671 4.8671 5.4369 5.4370 5.4844 5.4844 10.9464 10.9464 11.6295 11.6295 11.8652 11.8652 12.9336 12.9336 13.4057 13.4057 14.0836 14.0836 k = 0.0938-0.0541 0.0765 ( 8368 PWs) bands (ev): -37.3965 -37.3965 -36.9488 -36.9488 -3.4478 -3.4478 -3.4398 -3.4398 -1.3841 -1.3841 -1.3104 -1.3104 -1.2915 -1.2915 0.4117 0.4117 3.8487 3.8487 3.9105 3.9105 4.8687 4.8687 5.4321 5.4321 5.4855 5.4855 10.8141 10.8141 11.5080 11.5080 11.7186 11.7186 12.9042 12.9042 13.4844 13.4844 14.0660 14.0660 k = 0.1042-0.0601 0.0851 ( 8360 PWs) bands (ev): -37.3964 -37.3964 -36.9488 -36.9488 -3.4481 -3.4481 -3.4392 -3.4392 -1.3841 -1.3841 -1.3108 -1.3108 -1.2902 -1.2902 0.4358 0.4358 3.8465 3.8465 3.9161 3.9161 4.8706 4.8706 5.4271 5.4271 5.4865 5.4865 10.6785 10.6785 11.3818 11.3818 11.5722 11.5722 12.8741 12.8741 13.5566 13.5567 14.0242 14.0242 k = 0.1146-0.0662 0.0936 ( 8356 PWs) bands (ev): -37.3964 -37.3964 -36.9488 -36.9488 -3.4483 -3.4483 -3.4387 -3.4387 -1.3841 -1.3841 -1.3111 -1.3111 -1.2889 -1.2889 0.4623 0.4623 3.8443 3.8443 3.9220 3.9220 4.8726 4.8726 5.4221 5.4221 5.4874 5.4874 10.5400 10.5400 11.2525 11.2525 11.4264 11.4264 12.8435 12.8435 13.6090 13.6090 13.9892 13.9892 k = 0.1250-0.0722 0.1021 ( 8348 PWs) bands (ev): -37.3964 -37.3964 -36.9488 -36.9488 -3.4485 -3.4485 -3.4381 -3.4381 -1.3841 -1.3841 -1.3112 -1.3112 -1.2876 -1.2876 0.4913 0.4913 3.8421 3.8421 3.9282 3.9282 4.8747 4.8747 5.4171 5.4171 5.4883 5.4884 10.3990 10.3990 11.1212 11.1212 11.2816 11.2816 12.8124 12.8124 13.6217 13.6217 13.9881 13.9881 k = 0.1354-0.0782 0.1106 ( 8336 PWs) bands (ev): -37.3964 -37.3964 -36.9488 -36.9488 -3.4487 -3.4487 -3.4376 -3.4376 -1.3841 -1.3841 -1.3113 -1.3113 -1.2862 -1.2862 0.5225 0.5226 3.8399 3.8399 3.9348 3.9348 4.8771 4.8771 5.4123 5.4123 5.4893 5.4893 10.2558 10.2558 10.9887 10.9887 11.1382 11.1382 12.7811 12.7811 13.5892 13.5893 14.0299 14.0299 k = 0.1458-0.0842 0.1191 ( 8352 PWs) bands (ev): -37.3964 -37.3964 -36.9488 -36.9488 -3.4489 -3.4489 -3.4370 -3.4370 -1.3842 -1.3842 -1.3113 -1.3113 -1.2849 -1.2849 0.5562 0.5562 3.8377 3.8377 3.9417 3.9417 4.8795 4.8795 5.4077 5.4077 5.4902 5.4902 10.1106 10.1106 10.8557 10.8558 10.9962 10.9962 12.7498 12.7498 13.5288 13.5288 14.0992 14.0992 k = 0.1562-0.0902 0.1276 ( 8364 PWs) bands (ev): -37.3964 -37.3964 -36.9488 -36.9488 -3.4490 -3.4490 -3.4365 -3.4365 -1.3842 -1.3842 -1.3112 -1.3112 -1.2835 -1.2835 0.5921 0.5921 3.8355 3.8355 3.9490 3.9490 4.8821 4.8821 5.4033 5.4034 5.4912 5.4912 9.9636 9.9636 10.7227 10.7227 10.8560 10.8560 12.7186 12.7186 13.4561 13.4561 14.1817 14.1817 k = 0.1667-0.0962 0.1361 ( 8344 PWs) bands (ev): -37.3964 -37.3964 -36.9488 -36.9488 -3.4491 -3.4491 -3.4360 -3.4360 -1.3843 -1.3843 -1.3110 -1.3110 -1.2821 -1.2821 0.6303 0.6303 3.8332 3.8332 3.9567 3.9567 4.8848 4.8848 5.3994 5.3994 5.4923 5.4923 9.8152 9.8152 10.5901 10.5901 10.7177 10.7177 12.6876 12.6876 13.3790 13.3790 14.2706 14.2706 k = 0.1771-0.1022 0.1446 ( 8352 PWs) bands (ev): -37.3963 -37.3963 -36.9489 -36.9489 -3.4492 -3.4492 -3.4355 -3.4355 -1.3844 -1.3844 -1.3108 -1.3107 -1.2807 -1.2807 0.6706 0.6706 3.8309 3.8309 3.9647 3.9647 4.8875 4.8875 5.3959 5.3959 5.4936 5.4936 9.6655 9.6655 10.4582 10.4582 10.5814 10.5814 12.6570 12.6570 13.3013 13.3013 14.3630 14.3630 k = 0.1875-0.1083 0.1531 ( 8340 PWs) bands (ev): -37.3963 -37.3963 -36.9489 -36.9489 -3.4492 -3.4492 -3.4350 -3.4350 -1.3844 -1.3844 -1.3104 -1.3104 -1.2793 -1.2793 0.7131 0.7131 3.8285 3.8285 3.9732 3.9732 4.8902 4.8902 5.3930 5.3930 5.4950 5.4950 9.5147 9.5147 10.3275 10.3275 10.4472 10.4472 12.6268 12.6268 13.2247 13.2247 14.4579 14.4579 k = 0.1979-0.1143 0.1616 ( 8340 PWs) bands (ev): -37.3963 -37.3963 -36.9489 -36.9489 -3.4492 -3.4492 -3.4345 -3.4345 -1.3845 -1.3845 -1.3101 -1.3101 -1.2778 -1.2778 0.7577 0.7577 3.8260 3.8260 3.9820 3.9820 4.8929 4.8929 5.3908 5.3908 5.4967 5.4967 9.3631 9.3631 10.1981 10.1981 10.3152 10.3152 12.5971 12.5971 13.1504 13.1504 14.5549 14.5549 k = 0.2083-0.1203 0.1701 ( 8340 PWs) bands (ev): -37.3963 -37.3963 -36.9489 -36.9489 -3.4492 -3.4492 -3.4340 -3.4340 -1.3846 -1.3846 -1.3097 -1.3097 -1.2764 -1.2764 0.8042 0.8042 3.8234 3.8234 3.9913 3.9913 4.8954 4.8954 5.3894 5.3894 5.4987 5.4987 9.2108 9.2108 10.0705 10.0705 10.1856 10.1856 12.5680 12.5680 13.0789 13.0789 14.6538 14.6538 k = 0.2188-0.1263 0.1786 ( 8340 PWs) bands (ev): -37.3963 -37.3963 -36.9489 -36.9489 -3.4491 -3.4491 -3.4336 -3.4336 -1.3846 -1.3846 -1.3093 -1.3093 -1.2749 -1.2749 0.8527 0.8527 3.8208 3.8208 4.0009 4.0009 4.8977 4.8977 5.3888 5.3888 5.5009 5.5009 9.0582 9.0582 9.9447 9.9447 10.0584 10.0584 12.5395 12.5395 13.0108 13.0108 14.7547 14.7547 k = 0.2292-0.1323 0.1871 ( 8328 PWs) bands (ev): -37.3962 -37.3962 -36.9489 -36.9489 -3.4490 -3.4490 -3.4332 -3.4332 -1.3847 -1.3847 -1.3089 -1.3089 -1.2734 -1.2734 0.9030 0.9030 3.8180 3.8180 4.0110 4.0110 4.8998 4.8998 5.3893 5.3893 5.5036 5.5036 8.9055 8.9055 9.8211 9.8211 9.9338 9.9338 12.5114 12.5114 12.9462 12.9462 14.8578 14.8578 k = 0.2396-0.1383 0.1956 ( 8304 PWs) bands (ev): -37.3962 -37.3962 -36.9489 -36.9489 -3.4489 -3.4489 -3.4328 -3.4328 -1.3847 -1.3847 -1.3085 -1.3085 -1.2718 -1.2718 0.9550 0.9550 3.8151 3.8151 4.0215 4.0215 4.9015 4.9015 5.3909 5.3909 5.5066 5.5066 8.7530 8.7530 9.6999 9.6999 9.8119 9.8119 12.4840 12.4840 12.8852 12.8852 14.9631 14.9631 k = 0.2500-0.1443 0.2041 ( 8300 PWs) bands (ev): -37.3962 -37.3962 -36.9489 -36.9489 -3.4488 -3.4488 -3.4324 -3.4324 -1.3847 -1.3847 -1.3081 -1.3081 -1.2702 -1.2702 1.0087 1.0087 3.8121 3.8121 4.0325 4.0325 4.9027 4.9027 5.3937 5.3937 5.5101 5.5101 8.6009 8.6010 9.5812 9.5812 9.6927 9.6927 12.4570 12.4571 12.8281 12.8281 15.0707 15.0707 k = 0.2604-0.1504 0.2126 ( 8316 PWs) bands (ev): -37.3962 -37.3962 -36.9489 -36.9489 -3.4486 -3.4486 -3.4320 -3.4320 -1.3846 -1.3846 -1.3077 -1.3077 -1.2687 -1.2687 1.0639 1.0639 3.8089 3.8089 4.0439 4.0439 4.9034 4.9034 5.3978 5.3978 5.5141 5.5141 8.4497 8.4497 9.4652 9.4652 9.5765 9.5765 12.4306 12.4306 12.7747 12.7747 15.1808 15.1808 k = 0.2708-0.1564 0.2211 ( 8336 PWs) bands (ev): -37.3962 -37.3962 -36.9489 -36.9489 -3.4484 -3.4484 -3.4317 -3.4317 -1.3845 -1.3845 -1.3074 -1.3074 -1.2670 -1.2670 1.1204 1.1204 3.8056 3.8056 4.0557 4.0557 4.9035 4.9035 5.4032 5.4032 5.5186 5.5186 8.2994 8.2994 9.3521 9.3521 9.4633 9.4633 12.4046 12.4046 12.7252 12.7252 15.2935 15.2935 k = 0.2812-0.1624 0.2296 ( 8336 PWs) bands (ev): -37.3962 -37.3962 -36.9490 -36.9490 -3.4482 -3.4482 -3.4314 -3.4314 -1.3844 -1.3844 -1.3072 -1.3072 -1.2654 -1.2654 1.1782 1.1782 3.8021 3.8021 4.0680 4.0680 4.9028 4.9028 5.4100 5.4100 5.5237 5.5237 8.1506 8.1506 9.2421 9.2421 9.3532 9.3532 12.3790 12.3790 12.6794 12.6794 15.4087 15.4087 k = 0.2917-0.1684 0.2381 ( 8348 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4480 -3.4480 -3.4311 -3.4311 -1.3843 -1.3843 -1.3069 -1.3069 -1.2638 -1.2638 1.2370 1.2370 3.7985 3.7985 4.0808 4.0808 4.9013 4.9013 5.4182 5.4182 5.5295 5.5295 8.0036 8.0036 9.1352 9.1352 9.2465 9.2465 12.3539 12.3539 12.6374 12.6374 15.5266 15.5266 k = 0.3021-0.1744 0.2467 ( 8340 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4477 -3.4477 -3.4309 -3.4309 -1.3841 -1.3841 -1.3068 -1.3068 -1.2622 -1.2622 1.2967 1.2967 3.7947 3.7947 4.0941 4.0941 4.8990 4.8990 5.4278 5.4278 5.5359 5.5359 7.8586 7.8586 9.0315 9.0315 9.1432 9.1432 12.3291 12.3291 12.5990 12.5990 15.6471 15.6471 k = 0.3125-0.1804 0.2552 ( 8340 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4474 -3.4474 -3.4306 -3.4306 -1.3838 -1.3838 -1.3067 -1.3067 -1.2605 -1.2605 1.3570 1.3570 3.7907 3.7907 4.1080 4.1080 4.8956 4.8956 5.4387 5.4387 5.5430 5.5430 7.7161 7.7161 8.9314 8.9314 9.0436 9.0436 12.3049 12.3049 12.5640 12.5640 15.7702 15.7702 k = 0.3229-0.1864 0.2637 ( 8340 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4471 -3.4471 -3.4305 -3.4304 -1.3836 -1.3836 -1.3066 -1.3066 -1.2589 -1.2589 1.4178 1.4178 3.7866 3.7866 4.1224 4.1224 4.8911 4.8911 5.4510 5.4510 5.5508 5.5508 7.5764 7.5764 8.8348 8.8348 8.9477 8.9477 12.2811 12.2811 12.5325 12.5325 15.8960 15.8960 k = 0.3333-0.1925 0.2722 ( 8356 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4468 -3.4468 -3.4303 -3.4303 -1.3833 -1.3833 -1.3066 -1.3066 -1.2574 -1.2574 1.4787 1.4787 3.7823 3.7823 4.1373 4.1373 4.8855 4.8855 5.4645 5.4645 5.5595 5.5595 7.4399 7.4399 8.7419 8.7419 8.8557 8.8557 12.2580 12.2580 12.5040 12.5040 16.0243 16.0243 k = 0.3438-0.1985 0.2807 ( 8348 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4465 -3.4465 -3.4301 -3.4301 -1.3830 -1.3830 -1.3066 -1.3066 -1.2558 -1.2558 1.5394 1.5394 3.7779 3.7779 4.1529 4.1529 4.8786 4.8786 5.4792 5.4792 5.5689 5.5689 7.3070 7.3070 8.6529 8.6529 8.7679 8.7679 12.2356 12.2356 12.4785 12.4785 16.1552 16.1552 k = 0.3542-0.2045 0.2892 ( 8356 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4462 -3.4462 -3.4300 -3.4300 -1.3826 -1.3826 -1.3067 -1.3067 -1.2543 -1.2543 1.5997 1.5997 3.7733 3.7733 4.1691 4.1691 4.8704 4.8704 5.4949 5.4949 5.5792 5.5792 7.1781 7.1781 8.5679 8.5679 8.6844 8.6844 12.2141 12.2141 12.4556 12.4556 16.2885 16.2885 k = 0.3646-0.2105 0.2977 ( 8356 PWs) bands (ev): -37.3960 -37.3960 -36.9490 -36.9490 -3.4458 -3.4458 -3.4300 -3.4300 -1.3823 -1.3823 -1.3069 -1.3069 -1.2529 -1.2529 1.6592 1.6592 3.7686 3.7686 4.1861 4.1861 4.8608 4.8608 5.5114 5.5114 5.5903 5.5903 7.0535 7.0535 8.4872 8.4872 8.6055 8.6055 12.1936 12.1936 12.4352 12.4352 16.4242 16.4242 k = 0.3750-0.2165 0.3062 ( 8348 PWs) bands (ev): -37.3960 -37.3960 -36.9490 -36.9490 -3.4455 -3.4455 -3.4299 -3.4299 -1.3819 -1.3819 -1.3070 -1.3070 -1.2515 -1.2515 1.7173 1.7173 3.7638 3.7638 4.2037 4.2037 4.8497 4.8497 5.5286 5.5286 5.6024 5.6024 6.9338 6.9338 8.4108 8.4108 8.5312 8.5312 12.1742 12.1742 12.4171 12.4171 16.5621 16.5621 k = 0.3854-0.2225 0.3147 ( 8360 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4451 -3.4451 -3.4299 -3.4299 -1.3815 -1.3815 -1.3072 -1.3072 -1.2502 -1.2502 1.7738 1.7739 3.7590 3.7590 4.2221 4.2221 4.8371 4.8371 5.5462 5.5462 5.6155 5.6155 6.8193 6.8193 8.3391 8.3391 8.4619 8.4619 12.1561 12.1561 12.4010 12.4010 16.7021 16.7021 k = 0.3958-0.2285 0.3232 ( 8360 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4448 -3.4448 -3.4298 -3.4298 -1.3811 -1.3811 -1.3074 -1.3074 -1.2490 -1.2490 1.8282 1.8282 3.7542 3.7542 4.2413 4.2413 4.8229 4.8229 5.5640 5.5640 5.6296 5.6296 6.7104 6.7104 8.2723 8.2723 8.3977 8.3977 12.1393 12.1393 12.3868 12.3868 16.8440 16.8440 k = 0.4062-0.2345 0.3317 ( 8368 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4445 -3.4445 -3.4298 -3.4298 -1.3807 -1.3807 -1.3076 -1.3076 -1.2479 -1.2479 1.8798 1.8798 3.7494 3.7494 4.2612 4.2612 4.8071 4.8071 5.5815 5.5815 5.6451 5.6451 6.6074 6.6074 8.2107 8.2107 8.3388 8.3388 12.1240 12.1240 12.3743 12.3743 16.9874 16.9874 k = 0.4167-0.2406 0.3402 ( 8356 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4442 -3.4442 -3.4298 -3.4298 -1.3803 -1.3803 -1.3079 -1.3079 -1.2468 -1.2468 1.9282 1.9283 3.7448 3.7448 4.2818 4.2818 4.7899 4.7899 5.5984 5.5984 5.6620 5.6620 6.5109 6.5109 8.1544 8.1544 8.2854 8.2854 12.1101 12.1101 12.3635 12.3635 17.1320 17.1320 k = 0.4271-0.2466 0.3487 ( 8336 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4439 -3.4439 -3.4299 -3.4299 -1.3800 -1.3800 -1.3081 -1.3081 -1.2459 -1.2459 1.9729 1.9729 3.7403 3.7403 4.3029 4.3029 4.7714 4.7714 5.6141 5.6141 5.6807 5.6807 6.4210 6.4211 8.1039 8.1039 8.2378 8.2378 12.0978 12.0978 12.3541 12.3541 17.2773 17.2773 k = 0.4375-0.2526 0.3572 ( 8344 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4436 -3.4436 -3.4299 -3.4299 -1.3797 -1.3797 -1.3083 -1.3083 -1.2451 -1.2451 2.0131 2.0131 3.7361 3.7361 4.3243 4.3243 4.7520 4.7520 5.6282 5.6282 5.7013 5.7013 6.3383 6.3383 8.0593 8.0593 8.1961 8.1961 12.0871 12.0871 12.3461 12.3461 17.4225 17.4225 k = 0.4479-0.2586 0.3657 ( 8344 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4434 -3.4434 -3.4299 -3.4299 -1.3794 -1.3794 -1.3085 -1.3085 -1.2444 -1.2444 2.0483 2.0483 3.7324 3.7324 4.3455 4.3455 4.7320 4.7320 5.6406 5.6406 5.7237 5.7237 6.2630 6.2630 8.0210 8.0210 8.1604 8.1604 12.0780 12.0780 12.3395 12.3395 17.5662 17.5662 k = 0.4583-0.2646 0.3742 ( 8344 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4432 -3.4432 -3.4300 -3.4299 -1.3792 -1.3792 -1.3086 -1.3086 -1.2438 -1.2438 2.0780 2.0780 3.7291 3.7291 4.3660 4.3660 4.7123 4.7123 5.6509 5.6509 5.7475 5.7475 6.1958 6.1958 7.9892 7.9892 8.1310 8.1310 12.0705 12.0705 12.3342 12.3342 17.7063 17.7063 k = 0.4688-0.2706 0.3827 ( 8340 PWs) bands (ev): -37.3959 -37.3959 -36.9491 -36.9491 -3.4430 -3.4430 -3.4300 -3.4300 -1.3790 -1.3790 -1.3088 -1.3088 -1.2434 -1.2434 2.1018 2.1018 3.7265 3.7265 4.3847 4.3847 4.6941 4.6941 5.6590 5.6590 5.7719 5.7719 6.1376 6.1376 7.9642 7.9642 8.1080 8.1080 12.0647 12.0647 12.3301 12.3301 17.8387 17.8387 k = 0.4792-0.2766 0.3912 ( 8344 PWs) bands (ev): -37.3959 -37.3959 -36.9491 -36.9491 -3.4429 -3.4429 -3.4300 -3.4300 -1.3788 -1.3788 -1.3089 -1.3089 -1.2430 -1.2430 2.1190 2.1190 3.7245 3.7245 4.4002 4.4002 4.6788 4.6788 5.6649 5.6649 5.7950 5.7950 6.0903 6.0903 7.9462 7.9462 8.0915 8.0915 12.0605 12.0605 12.3271 12.3271 17.9558 17.9558 k = 0.4896-0.2827 0.3997 ( 8336 PWs) bands (ev): -37.3959 -37.3959 -36.9491 -36.9491 -3.4429 -3.4429 -3.4300 -3.4300 -1.3787 -1.3787 -1.3089 -1.3089 -1.2428 -1.2428 2.1295 2.1295 3.7233 3.7233 4.4106 4.4106 4.6684 4.6684 5.6685 5.6685 5.8130 5.8130 6.0579 6.0579 7.9353 7.9353 8.0816 8.0816 12.0580 12.0580 12.3254 12.3254 18.0425 18.0425 k = 0.5000-0.2887 0.4082 ( 8336 PWs) bands (ev): -37.3959 -37.3959 -36.9491 -36.9491 -3.4428 -3.4428 -3.4300 -3.4300 -1.3787 -1.3787 -1.3089 -1.3089 -1.2428 -1.2428 2.1330 2.1330 3.7229 3.7229 4.4143 4.4143 4.6647 4.6647 5.6697 5.6697 5.8201 5.8201 6.0459 6.0459 7.9316 7.9316 8.0783 8.0783 12.0571 12.0571 12.3248 12.3248 18.0760 18.0760 k = 0.5000-0.2887 0.4082 ( 8336 PWs) bands (ev): -37.3959 -37.3959 -36.9491 -36.9491 -3.4428 -3.4428 -3.4300 -3.4300 -1.3787 -1.3787 -1.3089 -1.3089 -1.2428 -1.2428 2.1330 2.1330 3.7229 3.7229 4.4143 4.4143 4.6647 4.6647 5.6697 5.6697 5.8201 5.8201 6.0459 6.0459 7.9316 7.9316 8.0783 8.0783 12.0571 12.0571 12.3248 12.3248 18.0760 18.0760 k = 0.5000-0.2766 0.4168 ( 8336 PWs) bands (ev): -37.3959 -37.3959 -36.9491 -36.9491 -3.4432 -3.4424 -3.4309 -3.4292 -1.3791 -1.3783 -1.3104 -1.3074 -1.2436 -1.2420 2.1316 2.1343 3.7181 3.7295 4.3992 4.4285 4.6651 4.6654 5.6627 5.6754 5.8143 5.8272 6.0426 6.0464 7.9191 7.9427 8.0678 8.0871 12.0555 12.0674 12.3230 12.3357 18.0509 18.0833 k = 0.5000-0.2646 0.4253 ( 8338 PWs) bands (ev): -37.3959 -37.3959 -36.9491 -36.9491 -3.4436 -3.4420 -3.4317 -3.4283 -1.3795 -1.3779 -1.3118 -1.3059 -1.2446 -1.2415 2.1300 2.1354 3.7152 3.7381 4.3833 4.4415 4.6664 4.6674 5.6545 5.6795 5.8095 5.8360 6.0366 6.0439 7.9052 7.9521 8.0561 8.0943 12.0624 12.0862 12.3303 12.3556 18.0090 18.0708 k = 0.5000-0.2526 0.4338 ( 8342 PWs) bands (ev): -37.3959 -37.3959 -36.9491 -36.9491 -3.4440 -3.4416 -3.4326 -3.4275 -1.3798 -1.3775 -1.3132 -1.3043 -1.2456 -1.2410 2.1283 2.1363 3.7141 3.7485 4.3669 4.4529 4.6684 4.6711 5.6454 5.6821 5.8049 5.8465 6.0285 6.0386 7.8897 7.9597 8.0434 8.1000 12.0780 12.1132 12.3468 12.3843 17.9504 18.0359 k = 0.5000-0.2406 0.4423 ( 8342 PWs) bands (ev): -37.3959 -37.3959 -36.9491 -36.9491 -3.4444 -3.4412 -3.4334 -3.4267 -1.3802 -1.3770 -1.3145 -1.3027 -1.2468 -1.2406 2.1264 2.1371 3.7149 3.7607 4.3501 4.4625 4.6709 4.6766 5.6358 5.6833 5.7996 5.8585 6.0189 6.0307 7.8724 7.9648 8.0304 8.1047 12.1022 12.1482 12.3723 12.4216 17.8746 17.9764 k = 0.5000-0.2285 0.4508 ( 8346 PWs) bands (ev): -37.3959 -37.3959 -36.9491 -36.9491 -3.4448 -3.4408 -3.4342 -3.4259 -1.3805 -1.3766 -1.3158 -1.3010 -1.2481 -1.2404 2.1244 2.1377 3.7176 3.7747 4.3332 4.4702 4.6738 4.6841 5.6257 5.6832 5.7928 5.8717 6.0087 6.0206 7.8528 7.9670 8.0177 8.1089 12.1347 12.1910 12.4066 12.4673 17.7813 17.8918 k = 0.5000-0.2165 0.4593 ( 8354 PWs) bands (ev): -37.3960 -37.3959 -36.9491 -36.9491 -3.4452 -3.4404 -3.4350 -3.4251 -1.3809 -1.3761 -1.3170 -1.2994 -1.2495 -1.2404 2.1223 2.1381 3.7219 3.7904 4.3161 4.4757 4.6769 4.6936 5.6154 5.6820 5.7833 5.8856 5.9992 6.0090 7.8310 7.9658 8.0059 8.1130 12.1754 12.2410 12.4498 12.5211 17.6707 17.7842 k = 0.5000-0.2045 0.4678 ( 8358 PWs) bands (ev): -37.3960 -37.3959 -36.9491 -36.9491 -3.4456 -3.4400 -3.4358 -3.4244 -1.3812 -1.3756 -1.3182 -1.2977 -1.2509 -1.2404 2.1201 2.1383 3.7280 3.8077 4.2990 4.4792 4.6802 4.7051 5.6050 5.6798 5.7701 5.8990 5.9914 5.9970 7.8066 7.9609 7.9954 8.1176 12.2238 12.2979 12.5013 12.5826 17.5444 17.6572 k = 0.5000-0.1925 0.4763 ( 8352 PWs) bands (ev): -37.3960 -37.3959 -36.9491 -36.9491 -3.4459 -3.4397 -3.4366 -3.4236 -1.3815 -1.3750 -1.3193 -1.2960 -1.2525 -1.2405 2.1179 2.1384 3.7357 3.8266 4.2819 4.4809 4.6836 4.7183 5.5944 5.6767 5.7526 5.9098 5.9862 5.9870 7.7800 7.9525 7.9864 8.1227 12.2797 12.3613 12.5610 12.6515 17.4046 17.5155 k = 0.5000-0.1804 0.4848 ( 8358 PWs) bands (ev): -37.3960 -37.3959 -36.9491 -36.9491 -3.4462 -3.4393 -3.4373 -3.4230 -1.3818 -1.3745 -1.3204 -1.2942 -1.2540 -1.2408 2.1157 2.1384 3.7449 3.8469 4.2648 4.4808 4.6870 4.7331 5.5837 5.6729 5.7310 5.9139 5.9832 5.9841 7.7513 7.9407 7.9790 8.1283 12.3426 12.4307 12.6285 12.7274 17.2543 17.3633 k = 0.5000-0.1684 0.4933 ( 8358 PWs) bands (ev): -37.3960 -37.3959 -36.9491 -36.9491 -3.4466 -3.4390 -3.4380 -3.4223 -1.3822 -1.3739 -1.3214 -1.2925 -1.2556 -1.2412 2.1134 2.1383 3.7556 3.8684 4.2478 4.4791 4.6904 4.7492 5.5724 5.6684 5.7057 5.9083 5.9850 5.9889 7.7210 7.9260 7.9730 8.1344 12.4120 12.5055 12.7033 12.8098 17.0965 17.2043 k = 0.5000-0.1564 0.5018 ( 8358 PWs) bands (ev): -37.3960 -37.3959 -36.9491 -36.9491 -3.4469 -3.4387 -3.4386 -3.4217 -1.3825 -1.3733 -1.3223 -1.2908 -1.2573 -1.2417 2.1112 2.1380 3.7676 3.8912 4.2308 4.4762 4.6938 4.7663 5.5600 5.6631 5.6781 5.8958 5.9885 6.0015 7.6897 7.9091 7.9683 8.1406 12.4873 12.5852 12.7848 12.8982 16.9338 17.0414 k = 0.5000-0.1443 0.5103 ( 8364 PWs) bands (ev): -37.3960 -37.3959 -36.9491 -36.9491 -3.4472 -3.4394 -3.4383 -3.4211 -1.3828 -1.3727 -1.3232 -1.2891 -1.2589 -1.2422 2.1090 2.1377 3.7810 3.9148 4.2139 4.4722 4.6970 4.7842 5.5456 5.6500 5.6571 5.8803 5.9941 6.0174 7.6578 7.8905 7.9647 8.1467 12.5679 12.6691 12.8725 12.9920 16.7686 16.8770 k = 0.5000-0.1323 0.5188 ( 8364 PWs) bands (ev): -37.3960 -37.3959 -36.9491 -36.9491 -3.4474 -3.4400 -3.4380 -3.4205 -1.3831 -1.3721 -1.3240 -1.2873 -1.2605 -1.2429 2.1068 2.1373 3.7954 3.9392 4.1969 4.4671 4.7001 4.8028 5.5275 5.6239 5.6503 5.8642 6.0013 6.0345 7.6260 7.8708 7.9620 8.1527 12.6530 12.7565 12.9657 13.0905 16.6031 16.7130 k = 0.5000-0.1203 0.5273 ( 8370 PWs) bands (ev): -37.3960 -37.3959 -36.9491 -36.9491 -3.4477 -3.4405 -3.4378 -3.4200 -1.3834 -1.3716 -1.3247 -1.2857 -1.2621 -1.2436 2.1048 2.1369 3.8109 3.9641 4.1799 4.4611 4.7030 4.8220 5.5040 5.6022 5.6429 5.8485 6.0096 6.0520 7.5946 7.8506 7.9601 8.1583 12.7418 12.8467 13.0634 13.1930 16.4392 16.5511 k = 0.5000-0.1083 0.5358 ( 8364 PWs) bands (ev): -37.3960 -37.3959 -36.9491 -36.9491 -3.4479 -3.4410 -3.4375 -3.4196 -1.3836 -1.3710 -1.3254 -1.2840 -1.2636 -1.2443 2.1029 2.1365 3.8272 3.9891 4.1629 4.4544 4.7057 4.8416 5.4750 5.5858 5.6348 5.8338 6.0187 6.0691 7.5643 7.8304 7.9587 8.1635 12.8333 12.9385 13.1646 13.2984 16.2785 16.3929 k = 0.5000-0.0962 0.5443 ( 8360 PWs) bands (ev): -37.3960 -37.3959 -36.9491 -36.9491 -3.4481 -3.4415 -3.4373 -3.4191 -1.3839 -1.3704 -1.3259 -1.2824 -1.2650 -1.2451 2.1011 2.1360 3.8443 4.0141 4.1458 4.4470 4.7082 4.8616 5.4420 5.5738 5.6263 5.8206 6.0280 6.0856 7.5356 7.8107 7.9578 8.1682 12.9263 13.0308 13.2680 13.4055 16.1228 16.2401 k = 0.5000-0.0842 0.5528 ( 8372 PWs) bands (ev): -37.3960 -37.3959 -36.9491 -36.9491 -3.4483 -3.4419 -3.4371 -3.4188 -1.3841 -1.3699 -1.3264 -1.2809 -1.2664 -1.2460 2.0995 2.1355 3.8620 4.0384 4.1286 4.4390 4.7105 4.8818 5.4070 5.5650 5.6176 5.8091 6.0373 6.1010 7.5088 7.7920 7.9573 8.1724 13.0192 13.1222 13.3721 13.5129 15.9741 16.0942 k = 0.5000-0.0722 0.5613 ( 8366 PWs) bands (ev): -37.3960 -37.3959 -36.9491 -36.9491 -3.4485 -3.4423 -3.4369 -3.4184 -1.3843 -1.3695 -1.3269 -1.2795 -1.2676 -1.2468 2.0980 2.1351 3.8802 4.0618 4.1112 4.4307 4.7124 4.9021 5.3717 5.5582 5.6090 5.7994 6.0463 6.1151 7.4845 7.7748 7.9570 8.1760 13.1102 13.2108 13.4747 13.6187 15.8345 15.9574 k = 0.5000-0.0601 0.5698 ( 8374 PWs) bands (ev): -37.3960 -37.3959 -36.9491 -36.9491 -3.4486 -3.4426 -3.4367 -3.4182 -1.3845 -1.3690 -1.3272 -1.2783 -1.2687 -1.2476 2.0968 2.1347 3.8987 4.0837 4.0938 4.4223 4.7141 4.9222 5.3374 5.5530 5.6008 5.7915 6.0544 6.1275 7.4631 7.7594 7.9569 8.1791 13.1969 13.2943 13.5731 13.7201 15.7067 15.8320 k = 0.5000-0.0481 0.5784 ( 8382 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4488 -3.4428 -3.4366 -3.4179 -1.3846 -1.3687 -1.3275 -1.2771 -1.2696 -1.2483 2.0957 2.1344 3.9172 4.0763 4.1033 4.4141 4.7156 4.9417 5.3054 5.5490 5.5936 5.7852 6.0616 6.1381 7.4450 7.7463 7.9569 8.1816 13.2762 13.3701 13.6639 13.8139 15.5939 15.7210 k = 0.5000-0.0361 0.5869 ( 8386 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4488 -3.4430 -3.4365 -3.4178 -1.3848 -1.3684 -1.3278 -1.2762 -1.2703 -1.2489 2.0949 2.1341 3.9355 4.0590 4.1200 4.4067 4.7167 4.9596 5.2771 5.5460 5.5875 5.7804 6.0675 6.1466 7.4305 7.7357 7.9569 8.1836 13.3446 13.4347 13.7428 13.8956 15.4996 15.6279 k = 0.5000-0.0241 0.5954 ( 8390 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4489 -3.4432 -3.4364 -3.4176 -1.3848 -1.3682 -1.3279 -1.2755 -1.2708 -1.2494 2.0943 2.1339 3.9530 4.0423 4.1328 4.4006 4.7175 4.9747 5.2543 5.5440 5.5829 5.7771 6.0719 6.1528 7.4199 7.7280 7.9569 8.1850 13.3978 13.4845 13.8047 13.9602 15.4281 15.5567 k = 0.5000-0.0120 0.6039 ( 8394 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4489 -3.4433 -3.4364 -3.4176 -1.3849 -1.3681 -1.3280 -1.2751 -1.2711 -1.2497 2.0939 2.1338 3.9680 4.0277 4.1410 4.3967 4.7180 4.9851 5.2392 5.5427 5.5801 5.7752 6.0746 6.1565 7.4135 7.7232 7.9570 8.1858 13.4319 13.5162 13.8445 14.0019 15.3832 15.5118 k = 0.5000 0.0000 0.6124 ( 8400 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4490 -3.4433 -3.4364 -3.4175 -1.3849 -1.3680 -1.3280 -1.2749 -1.2713 -1.2498 2.0938 2.1337 3.9751 4.0208 4.1438 4.3953 4.7181 4.9888 5.2339 5.5423 5.5791 5.7745 6.0755 6.1578 7.4113 7.7216 7.9570 8.1861 13.4436 13.5271 13.8583 14.0164 15.3679 15.4964 k = 0.5000 0.0000 0.6124 ( 8400 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4490 -3.4433 -3.4364 -3.4175 -1.3849 -1.3680 -1.3280 -1.2749 -1.2713 -1.2498 2.0938 2.1337 3.9751 4.0208 4.1438 4.3953 4.7181 4.9888 5.2339 5.5423 5.5791 5.7745 6.0755 6.1578 7.4113 7.7216 7.9570 8.1861 13.4436 13.5271 13.8583 14.0164 15.3679 15.4964 k = 0.4926 0.0127 0.6124 ( 8393 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4490 -3.4433 -3.4364 -3.4176 -1.3849 -1.3681 -1.3280 -1.2752 -1.2711 -1.2497 2.0932 2.1330 3.9711 4.0240 4.1427 4.3962 4.7178 4.9873 5.2369 5.5423 5.5796 5.7739 6.0727 6.1599 7.4120 7.7175 7.9659 8.1899 13.4335 13.5147 13.8579 14.0125 15.3698 15.5030 k = 0.4853 0.0255 0.6124 ( 8389 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4489 -3.4433 -3.4363 -3.4176 -1.3848 -1.3682 -1.3279 -1.2758 -1.2707 -1.2496 2.0914 2.1309 3.9615 4.0314 4.1400 4.3989 4.7169 4.9830 5.2456 5.5424 5.5807 5.7720 6.0653 6.1652 7.4135 7.7054 7.9919 8.2014 13.4010 13.4746 13.8605 14.0044 15.3812 15.5246 k = 0.4779 0.0382 0.6124 ( 8391 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4489 -3.4434 -3.4362 -3.4178 -1.3847 -1.3684 -1.3278 -1.2766 -1.2702 -1.2494 2.0887 2.1277 3.9492 4.0399 4.1364 4.4029 4.7154 4.9767 5.2589 5.5429 5.5823 5.7686 6.0546 6.1717 7.4151 7.6878 8.0320 8.2210 13.3444 13.4072 13.8688 13.9971 15.4074 15.5615 k = 0.4706 0.0509 0.6124 ( 8377 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4488 -3.4435 -3.4360 -3.4180 -1.3845 -1.3686 -1.3275 -1.2776 -1.2698 -1.2491 2.0852 2.1236 3.9358 4.0479 4.1327 4.4079 4.7136 4.9692 5.2757 5.5438 5.5843 5.7637 6.0419 6.1781 7.4163 7.6674 8.0827 8.2486 13.2659 13.3176 13.8815 13.9933 15.4491 15.6130 k = 0.4632 0.0637 0.6124 ( 8379 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4488 -3.4435 -3.4359 -3.4182 -1.3842 -1.3689 -1.3273 -1.2786 -1.2695 -1.2487 2.0813 2.1188 3.9219 4.0544 4.1297 4.4135 4.7116 4.9612 5.2952 5.5450 5.5866 5.7573 6.0278 6.1838 7.4168 7.6464 8.1411 8.2837 13.1702 13.2126 13.8964 13.9934 15.5049 15.6776 k = 0.4559 0.0764 0.6124 ( 8371 PWs) bands (ev): -37.3960 -37.3959 -36.9491 -36.9491 -3.4487 -3.4436 -3.4356 -3.4185 -1.3840 -1.3692 -1.3269 -1.2796 -1.2692 -1.2482 2.0770 2.1136 3.9080 4.0588 4.1282 4.4194 4.7098 4.9529 5.3165 5.5466 5.5893 5.7495 6.0128 6.1883 7.4164 7.6258 8.2049 8.3256 13.0629 13.0979 13.9115 13.9964 15.5723 15.7536 k = 0.4485 0.0891 0.6124 ( 8369 PWs) bands (ev): -37.3960 -37.3959 -36.9491 -36.9491 -3.4486 -3.4437 -3.4353 -3.4188 -1.3836 -1.3696 -1.3266 -1.2807 -1.2691 -1.2477 2.0725 2.1081 3.8946 4.0607 4.1284 4.4254 4.7083 4.9445 5.3391 5.5483 5.5925 5.7403 5.9972 6.1917 7.4152 7.6063 8.2722 8.3730 12.9493 12.9786 13.9259 14.0010 15.6491 15.8391 k = 0.4412 0.1019 0.6124 ( 8367 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4486 -3.4439 -3.4350 -3.4191 -1.3833 -1.3700 -1.3261 -1.2819 -1.2689 -1.2472 2.0680 2.1024 3.8819 4.0603 4.1304 4.4312 4.7074 4.9363 5.3626 5.5500 5.5963 5.7299 5.9811 6.1940 7.4133 7.5884 8.3414 8.4246 12.8337 12.8585 13.9391 14.0061 15.7334 15.9327 k = 0.4338 0.1146 0.6124 ( 8365 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4485 -3.4440 -3.4347 -3.4195 -1.3829 -1.3704 -1.3257 -1.2830 -1.2688 -1.2466 2.0637 2.0969 3.8700 4.0583 4.1335 4.4367 4.7071 4.9282 5.3865 5.5517 5.6007 5.7184 5.9649 6.1953 7.4109 7.5722 8.4107 8.4786 12.7198 12.7411 13.9507 14.0113 15.8231 16.0327 k = 0.4265 0.1274 0.6124 ( 8366 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4485 -3.4441 -3.4344 -3.4199 -1.3824 -1.3708 -1.3252 -1.2841 -1.2687 -1.2461 2.0595 2.0916 3.8592 4.0554 4.1372 4.4417 4.7075 4.9203 5.4107 5.5531 5.6056 5.7059 5.9487 6.1958 7.4082 7.5579 8.4784 8.5332 12.6108 12.6294 13.9608 14.0160 15.9168 16.1377 k = 0.4191 0.1401 0.6124 ( 8373 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4484 -3.4442 -3.4340 -3.4203 -1.3820 -1.3712 -1.3248 -1.2852 -1.2686 -1.2456 2.0558 2.0867 3.8496 4.0520 4.1410 4.4462 4.7085 4.9129 5.4348 5.5543 5.6108 5.6927 5.9329 6.1958 7.4054 7.5455 8.5428 8.5864 12.5096 12.5259 13.9692 14.0201 16.0126 16.2461 k = 0.4118 0.1528 0.6124 ( 8377 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4484 -3.4443 -3.4337 -3.4207 -1.3816 -1.3716 -1.3243 -1.2862 -1.2686 -1.2452 2.0525 2.0823 3.8413 4.0487 4.1446 4.4500 4.7101 4.9059 5.4586 5.5552 5.6156 5.6792 5.9180 6.1954 7.4028 7.5351 8.6020 8.6362 12.4185 12.4331 13.9762 14.0236 16.1085 16.3559 k = 0.4044 0.1656 0.6124 ( 8373 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4483 -3.4443 -3.4333 -3.4210 -1.3812 -1.3720 -1.3239 -1.2871 -1.2685 -1.2448 2.0497 2.0785 3.8345 4.0458 4.1477 4.4532 4.7119 4.8997 5.4817 5.5558 5.6191 5.6664 5.9044 6.1948 7.4005 7.5266 8.6541 8.6803 12.3401 12.3533 13.9817 14.0263 16.2019 16.4641 k = 0.3971 0.1783 0.6124 ( 8374 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4483 -3.4444 -3.4331 -3.4213 -1.3809 -1.3724 -1.3236 -1.2878 -1.2685 -1.2445 2.0474 2.0755 3.8290 4.0433 4.1501 4.4557 4.7138 4.8945 5.5039 5.5563 5.6188 5.6563 5.8927 6.1942 7.3985 7.5200 8.6973 8.7169 12.2765 12.2887 13.9860 14.0284 16.2890 16.5654 k = 0.3897 0.1910 0.6124 ( 8380 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4483 -3.4444 -3.4329 -3.4215 -1.3806 -1.3726 -1.3233 -1.2883 -1.2685 -1.2442 2.0458 2.0732 3.8251 4.0414 4.1519 4.4575 4.7155 4.8905 5.5243 5.5565 5.6122 5.6516 5.8836 6.1937 7.3970 7.5153 8.7299 8.7440 12.2295 12.2410 13.9889 14.0299 16.3636 16.6511 k = 0.3824 0.2038 0.6124 ( 8382 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4483 -3.4445 -3.4327 -3.4217 -1.3805 -1.3728 -1.3232 -1.2886 -1.2685 -1.2441 2.0448 2.0719 3.8228 4.0403 4.1531 4.4585 4.7166 4.8880 5.5413 5.5564 5.6021 5.6508 5.8779 6.1934 7.3961 7.5125 8.7505 8.7606 12.2007 12.2118 13.9907 14.0307 16.4163 16.7086 k = 0.3750 0.2165 0.6124 ( 8394 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4483 -3.4445 -3.4327 -3.4217 -1.3804 -1.3729 -1.3231 -1.2888 -1.2685 -1.2441 2.0445 2.0714 3.8220 4.0399 4.1534 4.4589 4.7170 4.8871 5.5496 5.5558 5.5965 5.6509 5.8759 6.1933 7.3958 7.5115 8.7576 8.7661 12.1910 12.2019 13.9913 14.0310 16.4358 16.7285 k = 0.3750 0.2165 0.6124 ( 8394 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4483 -3.4445 -3.4327 -3.4217 -1.3804 -1.3729 -1.3231 -1.2888 -1.2685 -1.2441 2.0445 2.0714 3.8220 4.0399 4.1534 4.4589 4.7170 4.8871 5.5496 5.5558 5.5965 5.6509 5.8759 6.1933 7.3958 7.5115 8.7576 8.7661 12.1910 12.2019 13.9913 14.0310 16.4358 16.7285 k = 0.3676 0.2123 0.6004 ( 8390 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4485 -3.4448 -3.4322 -3.4218 -1.3801 -1.3728 -1.3231 -1.2888 -1.2699 -1.2447 2.0296 2.0563 3.8335 4.0476 4.1545 4.4494 4.7245 4.9063 5.5127 5.5417 5.5748 5.6423 5.8832 6.2231 7.3823 7.5048 8.8376 8.8486 12.1956 12.2046 14.1423 14.1819 16.3165 16.6125 k = 0.3603 0.2080 0.5884 ( 8378 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4487 -3.4452 -3.4318 -3.4220 -1.3797 -1.3727 -1.3230 -1.2890 -1.2712 -1.2453 2.0127 2.0390 3.8448 4.0471 4.1614 4.4383 4.7343 4.9241 5.4746 5.5105 5.5724 5.6365 5.8941 6.2533 7.3755 7.5042 8.9211 8.9344 12.2003 12.2073 14.2897 14.3287 16.1986 16.4969 k = 0.3529 0.2038 0.5764 ( 8376 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4489 -3.4454 -3.4314 -3.4222 -1.3794 -1.3728 -1.3229 -1.2895 -1.2724 -1.2460 1.9938 2.0195 3.8558 4.0407 4.1710 4.4255 4.7468 4.9399 5.4369 5.4767 5.5754 5.6323 5.9090 6.2837 7.3757 7.5098 9.0078 9.0232 12.2050 12.2102 14.4315 14.4692 16.0822 16.3823 k = 0.3456 0.1995 0.5643 ( 8366 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4491 -3.4456 -3.4310 -3.4226 -1.3790 -1.3729 -1.3226 -1.2901 -1.2735 -1.2466 1.9727 1.9977 3.8664 4.0310 4.1798 4.4109 4.7626 4.9532 5.4004 5.4447 5.5799 5.6293 5.9288 6.3146 7.3832 7.5216 9.0976 9.1149 12.2097 12.2131 14.5659 14.6011 15.9676 16.2688 k = 0.3382 0.1953 0.5523 ( 8380 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4493 -3.4458 -3.4306 -3.4230 -1.3785 -1.3731 -1.3223 -1.2910 -1.2744 -1.2473 1.9494 1.9736 3.8767 4.0196 4.1859 4.3945 4.7816 4.9637 5.3657 5.4156 5.5847 5.6275 5.9542 6.3461 7.3981 7.5394 9.1903 9.2094 12.2146 12.2162 14.6908 14.7220 15.8550 16.1568 k = 0.3309 0.1910 0.5403 ( 8380 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4495 -3.4459 -3.4303 -3.4234 -1.3781 -1.3733 -1.3219 -1.2920 -1.2752 -1.2479 1.9237 1.9470 3.8864 4.0076 4.1881 4.3762 4.8039 4.9713 5.3333 5.3901 5.5891 5.6265 5.9861 6.3785 7.4205 7.5634 9.2857 9.3066 12.2194 12.2194 14.8044 14.8296 15.7446 16.0465 k = 0.3235 0.1868 0.5283 ( 8364 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4497 -3.4459 -3.4300 -3.4240 -1.3777 -1.3737 -1.3214 -1.2931 -1.2760 -1.2485 1.8957 1.9179 3.8957 3.9952 4.1863 4.3563 4.8290 4.9759 5.3035 5.3682 5.5924 5.6263 6.0252 6.4123 7.4504 7.5934 9.3839 9.4063 12.2226 12.2244 14.9049 14.9219 15.6365 15.9383 k = 0.3162 0.1825 0.5163 ( 8368 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4499 -3.4459 -3.4297 -3.4245 -1.3772 -1.3741 -1.3209 -1.2942 -1.2768 -1.2491 1.8653 1.8863 3.9044 3.9828 4.1805 4.3348 4.8561 4.9779 5.2766 5.3500 5.5944 5.6269 6.0719 6.4480 7.4876 7.6292 9.4845 9.5085 12.2260 12.2295 14.9910 14.9974 15.5309 15.8324 k = 0.3088 0.1783 0.5043 ( 8372 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4501 -3.4459 -3.4294 -3.4252 -1.3768 -1.3745 -1.3203 -1.2954 -1.2776 -1.2497 1.8325 1.8523 3.9125 3.9706 4.1713 4.3121 4.8842 4.9777 5.2525 5.3352 5.5948 5.6280 6.1264 6.4864 7.5318 7.6709 9.5875 9.6130 12.2295 12.2347 15.0551 15.0621 15.4279 15.7291 k = 0.3015 0.1741 0.4923 ( 8366 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9490 -3.4503 -3.4458 -3.4292 -3.4259 -1.3764 -1.3751 -1.3197 -1.2965 -1.2785 -1.2502 1.7974 1.8159 3.9201 3.9586 4.1593 4.2885 4.9124 4.9759 5.2317 5.3233 5.5935 5.6296 6.1885 6.5282 7.5830 7.7182 9.6928 9.7197 12.2331 12.2399 15.0949 15.1179 15.3278 15.6287 k = 0.2941 0.1698 0.4803 ( 8370 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9490 -3.4504 -3.4456 -3.4290 -3.4266 -1.3761 -1.3757 -1.3190 -1.2976 -1.2794 -1.2508 1.7600 1.7771 3.9271 3.9469 4.1451 4.2642 4.9395 4.9729 5.2142 5.3139 5.5906 5.6315 6.2581 6.5743 7.6406 7.7711 9.8002 9.8284 12.2367 12.2452 15.1169 15.1584 15.2313 15.5318 k = 0.2868 0.1656 0.4683 ( 8374 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9490 -3.4506 -3.4455 -3.4288 -3.4274 -1.3763 -1.3758 -1.3183 -1.2987 -1.2803 -1.2513 1.7203 1.7362 3.9335 3.9356 4.1295 4.2397 4.9641 4.9692 5.2004 5.3065 5.5863 5.6334 6.3348 6.6254 7.7045 7.8294 9.9095 9.9391 12.2405 12.2506 15.1217 15.1328 15.1904 15.4389 k = 0.2794 0.1613 0.4563 ( 8374 PWs) bands (ev): -37.3961 -37.3960 -36.9491 -36.9490 -3.4508 -3.4453 -3.4287 -3.4281 -1.3770 -1.3755 -1.3175 -1.2997 -1.2813 -1.2518 1.6786 1.6931 3.9247 3.9393 4.1129 4.2153 4.9652 4.9851 5.1909 5.3008 5.5807 5.6351 6.4181 6.6821 7.7743 7.8930 10.0207 10.0516 12.2442 12.2561 15.0425 15.1093 15.2051 15.3505 k = 0.2721 0.1571 0.4443 ( 8372 PWs) bands (ev): -37.3961 -37.3960 -36.9490 -36.9490 -3.4509 -3.4450 -3.4290 -3.4286 -1.3777 -1.3752 -1.3167 -1.3006 -1.2824 -1.2523 1.6350 1.6481 3.9143 3.9445 4.0958 4.1913 4.9611 5.0012 5.1863 5.2966 5.5741 5.6366 6.5079 6.7451 7.8497 7.9618 10.1336 10.1658 12.2480 12.2616 14.9541 15.0795 15.2102 15.2670 k = 0.2647 0.1528 0.4323 ( 8370 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4511 -3.4448 -3.4298 -3.4286 -1.3784 -1.3751 -1.3159 -1.3015 -1.2835 -1.2527 1.5895 1.6014 3.9043 3.9492 4.0788 4.1679 4.9571 5.0117 5.1868 5.2934 5.5666 5.6375 6.6037 6.8146 7.9305 8.0356 10.2481 10.2815 12.2519 12.2672 14.8688 15.0332 15.1869 15.2062 k = 0.2574 0.1486 0.4203 ( 8368 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4513 -3.4445 -3.4307 -3.4285 -1.3792 -1.3749 -1.3151 -1.3023 -1.2847 -1.2532 1.5425 1.5531 3.8949 3.9532 4.0620 4.1454 4.9533 5.0167 5.1922 5.2913 5.5585 5.6379 6.7051 6.8911 8.0163 8.1144 10.3639 10.3986 12.2558 12.2728 14.7866 14.9733 15.1067 15.1936 k = 0.2500 0.1443 0.4082 ( 8384 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4514 -3.4442 -3.4315 -3.4286 -1.3799 -1.3749 -1.3142 -1.3031 -1.2859 -1.2537 1.4941 1.5035 3.8860 3.9567 4.0457 4.1241 4.9496 5.0171 5.2012 5.2901 5.5500 5.6374 6.8119 6.9745 8.1069 8.1979 10.4810 10.5169 12.2597 12.2785 14.7077 14.9049 15.0230 15.1674 k = 0.2426 0.1401 0.3962 ( 8368 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4515 -3.4439 -3.4324 -3.4286 -1.3807 -1.3748 -1.3134 -1.3039 -1.2871 -1.2542 1.4446 1.4528 3.8778 3.9595 4.0301 4.1039 4.9461 5.0141 5.2126 5.2897 5.5412 5.6362 6.9239 7.0649 8.2021 8.2861 10.5991 10.6363 12.2636 12.2842 14.6322 14.8321 14.9361 15.0790 k = 0.2353 0.1358 0.3842 ( 8366 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4517 -3.4436 -3.4333 -3.4287 -1.3814 -1.3748 -1.3125 -1.3046 -1.2884 -1.2547 1.3940 1.4012 3.8701 3.9617 4.0153 4.0851 4.9428 5.0089 5.2253 5.2901 5.5322 5.6343 7.0407 7.1620 8.3017 8.3788 10.7180 10.7565 12.2675 12.2899 14.5601 14.7569 14.8481 14.9695 k = 0.2279 0.1316 0.3722 ( 8370 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4518 -3.4433 -3.4341 -3.4288 -1.3821 -1.3749 -1.3117 -1.3052 -1.2897 -1.2553 1.3428 1.3489 3.8630 3.9632 4.0014 4.0678 4.9395 5.0023 5.2385 5.2913 5.5232 5.6315 7.1622 7.2657 8.4056 8.4760 10.8375 10.8773 12.2714 12.2956 14.4916 14.6798 14.7620 14.8611 k = 0.2206 0.1274 0.3602 ( 8364 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4519 -3.4430 -3.4350 -3.4290 -1.3827 -1.3751 -1.3108 -1.3059 -1.2910 -1.2559 1.2910 1.2962 3.8566 3.9640 3.9884 4.0519 4.9362 4.9948 5.2517 5.2932 5.5143 5.6281 7.2882 7.3757 8.5135 8.5775 10.9574 10.9985 12.2753 12.3013 14.4267 14.6001 14.6806 14.7550 k = 0.2132 0.1231 0.3482 ( 8358 PWs) bands (ev): -37.3962 -37.3961 -36.9490 -36.9490 -3.4520 -3.4427 -3.4358 -3.4292 -1.3833 -1.3752 -1.3100 -1.3065 -1.2923 -1.2565 1.2390 1.2433 3.8508 3.9641 3.9763 4.0375 4.9329 4.9870 5.2647 5.2958 5.5056 5.6240 7.4185 7.4918 8.6254 8.6832 11.0774 11.1197 12.2793 12.3071 14.3655 14.5173 14.6057 14.6516 k = 0.2059 0.1189 0.3362 ( 8346 PWs) bands (ev): -37.3962 -37.3962 -36.9490 -36.9490 -3.4521 -3.4424 -3.4366 -3.4294 -1.3838 -1.3755 -1.3092 -1.3071 -1.2936 -1.2572 1.1869 1.1904 3.8456 3.9633 3.9651 4.0248 4.9295 4.9789 5.2774 5.2992 5.4972 5.6194 7.5528 7.6135 8.7411 8.7929 11.1970 11.2407 12.2833 12.3129 14.3081 14.4321 14.5376 14.5510 k = 0.1985 0.1146 0.3242 ( 8342 PWs) bands (ev): -37.3962 -37.3962 -36.9489 -36.9489 -3.4521 -3.4421 -3.4374 -3.4297 -1.3843 -1.3757 -1.3084 -1.3077 -1.2949 -1.2580 1.1350 1.1378 3.8411 3.9547 3.9615 4.0137 4.9261 4.9707 5.2896 5.3032 5.4892 5.6143 7.6912 7.7406 8.8605 8.9066 11.3160 11.3610 12.2876 12.3189 14.2545 14.3461 14.4535 14.4755 k = 0.1912 0.1104 0.3122 ( 8342 PWs) bands (ev): -37.3962 -37.3962 -36.9489 -36.9489 -3.4522 -3.4419 -3.4381 -3.4300 -1.3847 -1.3761 -1.3083 -1.3076 -1.2961 -1.2589 1.0834 1.0856 3.8372 3.9452 3.9588 4.0043 4.9225 4.9626 5.3015 5.3079 5.4817 5.6089 7.8333 7.8728 8.9834 9.0242 11.4339 11.4800 12.2921 12.3251 14.2045 14.2606 14.3596 14.4187 k = 0.1838 0.1061 0.3002 ( 8332 PWs) bands (ev): -37.3962 -37.3962 -36.9489 -36.9489 -3.4522 -3.4417 -3.4388 -3.4303 -1.3851 -1.3764 -1.3089 -1.3068 -1.2972 -1.2599 1.0324 1.0340 3.8340 3.9364 3.9551 3.9964 4.9189 4.9545 5.3131 5.3132 5.4746 5.6032 7.9790 8.0098 9.1098 9.1455 11.5500 11.5973 12.2971 12.3317 14.1575 14.1762 14.2703 14.3669 k = 0.1765 0.1019 0.2882 ( 8340 PWs) bands (ev): -37.3962 -37.3962 -36.9489 -36.9489 -3.4523 -3.4415 -3.4395 -3.4307 -1.3853 -1.3768 -1.3095 -1.3061 -1.2983 -1.2609 0.9821 0.9833 3.8313 3.9283 3.9505 3.9900 4.9152 4.9467 5.3190 5.3243 5.4682 5.5972 8.1283 8.1513 9.2395 9.2704 11.6637 11.7118 12.3029 12.3389 14.0936 14.1106 14.1887 14.3200 k = 0.1691 0.0976 0.2762 ( 8336 PWs) bands (ev): -37.3962 -37.3962 -36.9489 -36.9489 -3.4523 -3.4413 -3.4401 -3.4311 -1.3856 -1.3772 -1.3101 -1.3054 -1.2994 -1.2620 0.9327 0.9335 3.8291 3.9210 3.9454 3.9845 4.9115 4.9391 5.3254 5.3352 5.4623 5.5911 8.2808 8.2970 9.3724 9.3989 11.7739 11.8224 12.3103 12.3473 14.0132 14.0550 14.1241 14.2781 k = 0.1618 0.0934 0.2642 ( 8336 PWs) bands (ev): -37.3963 -37.3963 -36.9489 -36.9489 -3.4523 -3.4412 -3.4407 -3.4315 -1.3857 -1.3777 -1.3106 -1.3047 -1.3003 -1.2633 0.8844 0.8849 3.8275 3.9142 3.9400 3.9798 4.9077 4.9318 5.3322 5.3457 5.4570 5.5849 8.4365 8.4468 9.5084 9.5307 11.8792 11.9272 12.3205 12.3575 13.9351 13.9852 14.0824 14.2414 k = 0.1544 0.0891 0.2522 ( 8344 PWs) bands (ev): -37.3963 -37.3963 -36.9489 -36.9489 -3.4522 -3.4413 -3.4411 -3.4320 -1.3858 -1.3781 -1.3112 -1.3041 -1.3012 -1.2646 0.8373 0.8375 3.8264 3.9081 3.9346 3.9753 4.9039 4.9247 5.3395 5.3560 5.4523 5.5787 8.5953 8.6002 9.6473 9.6658 11.9777 12.0230 12.3359 12.3710 13.8597 13.9102 14.0553 14.2103 k = 0.1471 0.0849 0.2401 ( 8340 PWs) bands (ev): -37.3963 -37.3963 -36.9489 -36.9489 -3.4522 -3.4418 -3.4410 -3.4324 -1.3858 -1.3786 -1.3117 -1.3035 -1.3019 -1.2660 0.7916 0.7916 3.8258 3.9025 3.9294 3.9710 4.9002 4.9180 5.3470 5.3660 5.4483 5.5724 8.7568 8.7571 9.7891 9.8040 12.0662 12.1046 12.3609 12.3902 13.7871 13.8356 14.0374 14.1851 k = 0.1397 0.0807 0.2281 ( 8336 PWs) bands (ev): -37.3963 -37.3963 -36.9489 -36.9489 -3.4521 -3.4423 -3.4409 -3.4329 -1.3858 -1.3791 -1.3122 -1.3029 -1.3026 -1.2675 0.7473 0.7474 3.8256 3.8975 3.9245 3.9667 4.8965 4.9117 5.3549 5.3756 5.4449 5.5663 8.9173 8.9210 9.9336 9.9452 12.1404 12.1656 12.4011 12.4186 13.7174 13.7632 14.0278 14.1659 k = 0.1324 0.0764 0.2161 ( 8352 PWs) bands (ev): -37.3963 -37.3963 -36.9489 -36.9489 -3.4519 -3.4427 -3.4410 -3.4334 -1.3858 -1.3796 -1.3127 -1.3033 -1.3024 -1.2691 0.7046 0.7049 3.8258 3.8929 3.9198 3.9624 4.8929 4.9057 5.3629 5.3849 5.4421 5.5601 9.0804 9.0875 10.0806 10.0893 12.1961 12.2042 12.4573 12.4594 13.6507 13.6937 14.0261 14.1532 k = 0.1250 0.0722 0.2041 ( 8366 PWs) bands (ev): -37.3964 -37.3964 -36.9489 -36.9489 -3.4518 -3.4431 -3.4410 -3.4339 -1.3857 -1.3801 -1.3131 -1.3038 -1.3019 -1.2708 0.6638 0.6641 3.8263 3.8888 3.9154 3.9579 4.8894 4.9002 5.3710 5.3939 5.4399 5.5541 9.2462 9.2563 10.2300 10.2360 12.2265 12.2335 12.5120 12.5227 13.5872 13.6274 14.0326 14.1471 k = 0.1176 0.0679 0.1921 ( 8354 PWs) bands (ev): -37.3964 -37.3964 -36.9488 -36.9488 -3.4516 -3.4435 -3.4411 -3.4345 -1.3856 -1.3805 -1.3134 -1.3043 -1.3015 -1.2726 0.6248 0.6251 3.8271 3.8852 3.9114 3.9532 4.8861 4.8950 5.3792 5.4025 5.4383 5.5481 9.4144 9.4269 10.3815 10.3853 12.2395 12.2569 12.5711 12.5895 13.5271 13.5645 14.0471 14.1475 k = 0.1103 0.0637 0.1801 ( 8352 PWs) bands (ev): -37.3964 -37.3964 -36.9488 -36.9488 -3.4514 -3.4438 -3.4412 -3.4350 -1.3854 -1.3810 -1.3136 -1.3047 -1.3012 -1.2744 0.5877 0.5881 3.8283 3.8820 3.9076 3.9484 4.8830 4.8903 5.3874 5.4108 5.4373 5.5423 9.5846 9.5991 10.5349 10.5368 12.2476 12.2717 12.6309 12.6530 13.4703 13.5050 14.0690 14.1538 k = 0.1029 0.0594 0.1681 ( 8352 PWs) bands (ev): -37.3964 -37.3964 -36.9488 -36.9488 -3.4511 -3.4441 -3.4413 -3.4356 -1.3853 -1.3814 -1.3137 -1.3050 -1.3009 -1.2763 0.5527 0.5531 3.8297 3.8792 3.9040 3.9435 4.8800 4.8859 5.3955 5.4186 5.4368 5.5365 9.7565 9.7725 10.6899 10.6903 12.2529 12.2815 12.6876 12.7108 13.4171 13.4491 14.0966 14.1650 k = 0.0956 0.0552 0.1561 ( 8344 PWs) bands (ev): -37.3964 -37.3964 -36.9488 -36.9488 -3.4509 -3.4443 -3.4415 -3.4362 -1.3851 -1.3819 -1.3137 -1.3052 -1.3006 -1.2782 0.5199 0.5202 3.8314 3.8767 3.9007 3.9384 4.8773 4.8820 5.4034 5.4260 5.4368 5.5309 9.9297 9.9467 10.8454 10.8461 12.2568 12.2883 12.7393 12.7620 13.3675 13.3969 14.1251 14.1790 k = 0.0882 0.0509 0.1441 ( 8352 PWs) bands (ev): -37.3964 -37.3964 -36.9488 -36.9488 -3.4505 -3.4445 -3.4417 -3.4368 -1.3849 -1.3823 -1.3136 -1.3054 -1.3004 -1.2802 0.4892 0.4895 3.8334 3.8747 3.8976 3.9333 4.8748 4.8785 5.4111 5.4329 5.4373 5.5254 10.1036 10.1211 11.0018 11.0030 12.2600 12.2935 12.7853 12.8066 13.3216 13.3485 14.1418 14.1923 k = 0.0809 0.0467 0.1321 ( 8368 PWs) bands (ev): -37.3964 -37.3964 -36.9488 -36.9488 -3.4502 -3.4447 -3.4419 -3.4374 -1.3848 -1.3826 -1.3133 -1.3055 -1.3003 -1.2822 0.4608 0.4610 3.8355 3.8730 3.8947 3.9280 4.8725 4.8753 5.4186 5.4383 5.4393 5.5201 10.2777 10.2952 11.1588 11.1598 12.2631 12.2980 12.8256 12.8452 13.2796 13.3040 14.1310 14.1988 k = 0.0735 0.0425 0.1201 ( 8364 PWs) bands (ev): -37.3964 -37.3964 -36.9488 -36.9488 -3.4498 -3.4448 -3.4421 -3.4380 -1.3847 -1.3830 -1.3130 -1.3055 -1.3003 -1.2842 0.4347 0.4349 3.8379 3.8716 3.8919 3.9227 4.8704 4.8726 5.4256 5.4397 5.4451 5.5149 10.4510 10.4680 11.3155 11.3158 12.2668 12.3027 12.8609 12.8789 13.2415 13.2634 14.0992 14.1881 k = 0.0662 0.0382 0.1081 ( 8377 PWs) bands (ev): -37.3965 -37.3965 -36.9488 -36.9488 -3.4494 -3.4449 -3.4423 -3.4386 -1.3846 -1.3833 -1.3125 -1.3055 -1.3003 -1.2862 0.4109 0.4111 3.8405 3.8705 3.8894 3.9174 4.8686 4.8701 5.4323 5.4415 5.4504 5.5097 10.6227 10.6386 11.4692 11.4705 12.2721 12.3087 12.8923 12.9090 13.2076 13.2270 14.0570 14.1502 k = 0.0588 0.0340 0.0961 ( 8375 PWs) bands (ev): -37.3965 -37.3965 -36.9488 -36.9488 -3.4489 -3.4449 -3.4426 -3.4392 -1.3845 -1.3835 -1.3119 -1.3054 -1.3004 -1.2882 0.3895 0.3896 3.8433 3.8697 3.8869 3.9121 4.8670 4.8680 5.4383 5.4438 5.4551 5.5047 10.7914 10.8058 11.6178 11.6215 12.2809 12.3179 12.9212 12.9368 13.1780 13.1949 14.0077 14.0891 k = 0.0515 0.0297 0.0841 ( 8379 PWs) bands (ev): -37.3965 -37.3965 -36.9488 -36.9488 -3.4485 -3.4450 -3.4428 -3.4399 -1.3844 -1.3837 -1.3112 -1.3052 -1.3005 -1.2902 0.3706 0.3706 3.8463 3.8693 3.8846 3.9068 4.8656 4.8663 5.4435 5.4469 5.4592 5.4999 10.9555 10.9678 11.7572 11.7639 12.2964 12.3334 12.9492 12.9638 13.1531 13.1674 13.9516 14.0145 k = 0.0441 0.0255 0.0720 ( 8371 PWs) bands (ev): -37.3965 -37.3965 -36.9488 -36.9488 -3.4479 -3.4450 -3.4431 -3.4405 -1.3843 -1.3839 -1.3103 -1.3050 -1.3007 -1.2922 0.3541 0.3541 3.8494 3.8690 3.8824 3.9016 4.8643 4.8648 5.4474 5.4509 5.4627 5.4951 11.1127 11.1225 11.8802 11.8897 12.3255 12.3610 12.9779 12.9917 13.1334 13.1451 13.8885 13.9317 k = 0.0368 0.0212 0.0600 ( 8379 PWs) bands (ev): -37.3965 -37.3965 -36.9488 -36.9488 -3.4474 -3.4450 -3.4433 -3.4412 -1.3843 -1.3841 -1.3093 -1.3047 -1.3010 -1.2941 0.3401 0.3401 3.8528 3.8691 3.8804 3.8964 4.8633 4.8636 5.4507 5.4552 5.4654 5.4904 11.2602 11.2673 11.9765 11.9862 12.3786 12.4091 13.0092 13.0218 13.1198 13.1289 13.8183 13.8439 k = 0.0294 0.0170 0.0480 ( 8377 PWs) bands (ev): -37.3965 -37.3965 -36.9488 -36.9488 -3.4468 -3.4449 -3.4436 -3.4418 -1.3843 -1.3842 -1.3083 -1.3044 -1.3013 -1.2960 0.3286 0.3286 3.8564 3.8693 3.8785 3.8914 4.8625 4.8627 5.4541 5.4592 5.4675 5.4859 11.3942 11.3987 12.0383 12.0449 12.4606 12.4820 13.0445 13.0554 13.1138 13.1204 13.7422 13.7536 k = 0.0221 0.0127 0.0360 ( 8375 PWs) bands (ev): -37.3965 -37.3965 -36.9488 -36.9488 -3.4463 -3.4448 -3.4438 -3.4425 -1.3843 -1.3843 -1.3071 -1.3040 -1.3016 -1.2978 0.3196 0.3196 3.8601 3.8698 3.8768 3.8865 4.8619 4.8619 5.4575 5.4626 5.4689 5.4814 11.5098 11.5121 12.0691 12.0721 12.5595 12.5710 13.0845 13.0929 13.1186 13.1228 13.6630 13.6647 k = 0.0147 0.0085 0.0240 ( 8375 PWs) bands (ev): -37.3965 -37.3965 -36.9488 -36.9488 -3.4457 -3.4447 -3.4440 -3.4431 -1.3843 -1.3843 -1.3057 -1.3037 -1.3020 -1.2996 0.3132 0.3132 3.8641 3.8705 3.8752 3.8817 4.8614 4.8614 5.4612 5.4653 5.4696 5.4771 11.6010 11.6018 12.0797 12.0806 12.6529 12.6571 13.1267 13.1317 13.1387 13.1414 13.5834 13.5867 k = 0.0074 0.0042 0.0120 ( 8371 PWs) bands (ev): -37.3965 -37.3965 -36.9488 -36.9488 -3.4450 -3.4446 -3.4442 -3.4438 -1.3843 -1.3843 -1.3043 -1.3032 -1.3024 -1.3012 0.3094 0.3094 3.8682 3.8714 3.8738 3.8770 4.8612 4.8612 5.4649 5.4674 5.4696 5.4729 11.6607 11.6608 12.0806 12.0807 12.7187 12.7193 13.1657 13.1679 13.1714 13.1729 13.5213 13.5249 k = 0.0000 0.0000 0.0000 ( 8363 PWs) bands (ev): -37.3965 -37.3965 -36.9488 -36.9488 -3.4444 -3.4444 -3.4444 -3.4444 -1.3843 -1.3843 -1.3028 -1.3028 -1.3028 -1.3028 0.3081 0.3081 3.8725 3.8725 3.8725 3.8725 4.8611 4.8611 5.4689 5.4689 5.4689 5.4689 11.6816 11.6816 12.0797 12.0797 12.7419 12.7419 13.1883 13.1883 13.1883 13.1883 13.4979 13.4979 k = 0.0000 0.0000 0.0000 ( 8363 PWs) bands (ev): -37.3965 -37.3965 -36.9488 -36.9488 -3.4444 -3.4444 -3.4444 -3.4444 -1.3843 -1.3843 -1.3028 -1.3028 -1.3028 -1.3028 0.3081 0.3081 3.8725 3.8725 3.8725 3.8725 4.8611 4.8611 5.4689 5.4689 5.4689 5.4689 11.6816 11.6816 12.0797 12.0797 12.7419 12.7419 13.1883 13.1883 13.1883 13.1883 13.4979 13.4979 k = 0.0119 0.0069 0.0049 ( 8372 PWs) bands (ev): -37.3965 -37.3965 -36.9488 -36.9488 -3.4451 -3.4444 -3.4444 -3.4438 -1.3843 -1.3843 -1.3044 -1.3028 -1.3028 -1.3012 0.3093 0.3093 3.8681 3.8726 3.8726 3.8771 4.8612 4.8612 5.4649 5.4685 5.4685 5.4731 11.6610 11.6610 12.0807 12.0807 12.7194 12.7194 13.1640 13.1671 13.1740 13.1740 13.5192 13.5238 k = 0.0238 0.0137 0.0097 ( 8372 PWs) bands (ev): -37.3965 -37.3965 -36.9488 -36.9488 -3.4457 -3.4444 -3.4444 -3.4431 -1.3843 -1.3843 -1.3058 -1.3029 -1.3029 -1.2995 0.3131 0.3131 3.8638 3.8729 3.8729 3.8819 4.8614 4.8614 5.4611 5.4674 5.4674 5.4775 11.6016 11.6016 12.0821 12.0821 12.6571 12.6571 13.1077 13.1139 13.1594 13.1594 13.5739 13.5833 k = 0.0357 0.0206 0.0146 ( 8372 PWs) bands (ev): -37.3965 -37.3965 -36.9488 -36.9488 -3.4463 -3.4443 -3.4443 -3.4424 -1.3843 -1.3843 -1.3071 -1.3029 -1.3029 -1.2977 0.3194 0.3194 3.8598 3.8733 3.8733 3.8867 4.8619 4.8619 5.4575 5.4655 5.4655 5.4820 11.5087 11.5087 12.0804 12.0804 12.5701 12.5701 13.0375 13.0467 13.1662 13.1662 13.6436 13.6583 k = 0.0476 0.0275 0.0194 ( 8372 PWs) bands (ev): -37.3965 -37.3965 -36.9488 -36.9488 -3.4469 -3.4442 -3.4442 -3.4418 -1.3842 -1.3842 -1.3084 -1.3029 -1.3029 -1.2958 0.3282 0.3282 3.8560 3.8739 3.8739 3.8917 4.8626 4.8626 5.4542 5.4629 5.4629 5.4867 11.3880 11.3880 12.0729 12.0729 12.4750 12.4750 12.9621 12.9741 13.1917 13.1918 13.7188 13.7394 k = 0.0595 0.0344 0.0243 ( 8381 PWs) bands (ev): -37.3965 -37.3965 -36.9488 -36.9488 -3.4475 -3.4441 -3.4441 -3.4411 -1.3842 -1.3842 -1.3094 -1.3030 -1.3030 -1.2939 0.3395 0.3395 3.8524 3.8747 3.8747 3.8967 4.8634 4.8634 5.4512 5.4596 5.4596 5.4916 11.2449 11.2449 12.0574 12.0574 12.3829 12.3829 12.8851 12.8997 13.2293 13.2293 13.7948 13.8221 k = 0.0714 0.0412 0.0292 ( 8378 PWs) bands (ev): -37.3965 -37.3965 -36.9488 -36.9488 -3.4480 -3.4440 -3.4440 -3.4405 -1.3841 -1.3841 -1.3104 -1.3030 -1.3030 -1.2919 0.3533 0.3533 3.8491 3.8757 3.8757 3.9018 4.8646 4.8646 5.4486 5.4556 5.4556 5.4965 11.0841 11.0841 12.0319 12.0319 12.3002 12.3002 12.8079 12.8251 13.2736 13.2736 13.8684 13.9033 k = 0.0833 0.0481 0.0340 ( 8378 PWs) bands (ev): -37.3965 -37.3965 -36.9488 -36.9488 -3.4486 -3.4439 -3.4439 -3.4398 -1.3841 -1.3841 -1.3112 -1.3031 -1.3031 -1.2899 0.3695 0.3695 3.8460 3.8769 3.8769 3.9068 4.8659 4.8659 5.4462 5.4509 5.4509 5.5016 10.9099 10.9099 11.9940 11.9940 12.2311 12.2311 12.7316 12.7511 13.3205 13.3205 13.9364 13.9797 k = 0.0952 0.0550 0.0389 ( 8372 PWs) bands (ev): -37.3965 -37.3965 -36.9488 -36.9488 -3.4490 -3.4437 -3.4437 -3.4392 -1.3840 -1.3840 -1.3119 -1.3032 -1.3032 -1.2879 0.3881 0.3881 3.8432 3.8782 3.8782 3.9118 4.8675 4.8675 5.4442 5.4456 5.4456 5.5068 10.7260 10.7260 11.9428 11.9428 12.1769 12.1769 12.6564 12.6782 13.3671 13.3671 13.9955 14.0470 k = 0.1071 0.0619 0.0437 ( 8378 PWs) bands (ev): -37.3965 -37.3965 -36.9488 -36.9488 -3.4495 -3.4436 -3.4436 -3.4386 -1.3839 -1.3839 -1.3124 -1.3033 -1.3033 -1.2858 0.4091 0.4091 3.8407 3.8799 3.8799 3.9168 4.8694 4.8694 5.4397 5.4397 5.4426 5.5121 10.5352 10.5352 11.8807 11.8807 12.1352 12.1352 12.5827 12.6068 13.4108 13.4108 14.0418 14.1002 k = 0.1190 0.0687 0.0486 ( 8360 PWs) bands (ev): -37.3964 -37.3964 -36.9488 -36.9488 -3.4499 -3.4434 -3.4434 -3.4381 -1.3838 -1.3838 -1.3128 -1.3034 -1.3034 -1.2838 0.4324 0.4324 3.8384 3.8817 3.8817 3.9216 4.8716 4.8716 5.4333 5.4333 5.4414 5.5175 10.3398 10.3398 11.8122 11.8122 12.1018 12.1018 12.5107 12.5368 13.4492 13.4492 14.0722 14.1342 k = 0.1310 0.0756 0.0535 ( 8360 PWs) bands (ev): -37.3964 -37.3964 -36.9488 -36.9488 -3.4503 -3.4432 -3.4432 -3.4375 -1.3836 -1.3836 -1.3130 -1.3036 -1.3036 -1.2817 0.4580 0.4580 3.8364 3.8838 3.8838 3.9262 4.8741 4.8741 5.4263 5.4263 5.4406 5.5230 10.1416 10.1416 11.7405 11.7405 12.0730 12.0730 12.4405 12.4686 13.4809 13.4809 14.0849 14.1463 k = 0.1429 0.0825 0.0583 ( 8348 PWs) bands (ev): -37.3964 -37.3964 -36.9488 -36.9488 -3.4506 -3.4430 -3.4430 -3.4370 -1.3835 -1.3835 -1.3131 -1.3038 -1.3038 -1.2797 0.4858 0.4858 3.8346 3.8862 3.8862 3.9307 4.8769 4.8769 5.4188 5.4188 5.4404 5.5286 9.9419 9.9419 11.6678 11.6678 12.0470 12.0470 12.3722 12.4022 13.5047 13.5047 14.0803 14.1373 k = 0.1548 0.0894 0.0632 ( 8348 PWs) bands (ev): -37.3964 -37.3964 -36.9488 -36.9488 -3.4509 -3.4427 -3.4427 -3.4365 -1.3834 -1.3834 -1.3130 -1.3040 -1.3040 -1.2777 0.5158 0.5158 3.8332 3.8889 3.8889 3.9349 4.8800 4.8800 5.4109 5.4109 5.4406 5.5342 9.7417 9.7417 11.5951 11.5951 12.0228 12.0228 12.3058 12.3376 13.5201 13.5201 14.0606 14.1109 k = 0.1667 0.0962 0.0680 ( 8351 PWs) bands (ev): -37.3964 -37.3964 -36.9488 -36.9488 -3.4512 -3.4425 -3.4425 -3.4361 -1.3832 -1.3832 -1.3128 -1.3042 -1.3042 -1.2758 0.5478 0.5478 3.8320 3.8920 3.8920 3.9389 4.8835 4.8835 5.4026 5.4026 5.4413 5.5398 9.5418 9.5418 11.5230 11.5230 11.9997 11.9997 12.2414 12.2749 13.5274 13.5274 14.0289 14.0718 k = 0.1786 0.1031 0.0729 ( 8348 PWs) bands (ev): -37.3964 -37.3964 -36.9488 -36.9488 -3.4514 -3.4423 -3.4423 -3.4357 -1.3830 -1.3830 -1.3124 -1.3044 -1.3044 -1.2739 0.5818 0.5819 3.8310 3.8956 3.8956 3.9425 4.8873 4.8873 5.3940 5.3940 5.4426 5.5455 9.3429 9.3429 11.4519 11.4519 11.9776 11.9776 12.1791 12.2141 13.5272 13.5272 13.9881 14.0239 k = 0.1905 0.1100 0.0778 ( 8336 PWs) bands (ev): -37.3964 -37.3964 -36.9488 -36.9488 -3.4515 -3.4420 -3.4420 -3.4353 -1.3828 -1.3828 -1.3119 -1.3047 -1.3047 -1.2720 0.6178 0.6178 3.8303 3.8996 3.8996 3.9458 4.8914 4.8914 5.3850 5.3850 5.4444 5.5511 9.1456 9.1456 11.3820 11.3820 11.9564 11.9564 12.1188 12.1552 13.5206 13.5206 13.9407 13.9699 k = 0.2024 0.1168 0.0826 ( 8342 PWs) bands (ev): -37.3963 -37.3963 -36.9488 -36.9488 -3.4516 -3.4418 -3.4418 -3.4350 -1.3826 -1.3826 -1.3112 -1.3050 -1.3050 -1.2703 0.6555 0.6555 3.8299 3.9041 3.9041 3.9487 4.8957 4.8957 5.3759 5.3759 5.4467 5.5568 8.9502 8.9502 11.3134 11.3134 11.9361 11.9361 12.0606 12.0983 13.5086 13.5086 13.8886 13.9120 k = 0.2143 0.1237 0.0875 ( 8348 PWs) bands (ev): -37.3963 -37.3963 -36.9489 -36.9489 -3.4517 -3.4415 -3.4415 -3.4347 -1.3824 -1.3824 -1.3104 -1.3054 -1.3054 -1.2686 0.6948 0.6948 3.8298 3.9093 3.9093 3.9512 4.9004 4.9004 5.3665 5.3665 5.4497 5.5624 8.7571 8.7571 11.2462 11.2462 11.9166 11.9166 12.0045 12.0434 13.4924 13.4924 13.8334 13.8517 k = 0.2262 0.1306 0.0923 ( 8342 PWs) bands (ev): -37.3963 -37.3963 -36.9489 -36.9489 -3.4517 -3.4413 -3.4413 -3.4345 -1.3822 -1.3822 -1.3094 -1.3057 -1.3057 -1.2670 0.7357 0.7357 3.8299 3.9152 3.9152 3.9533 4.9053 4.9053 5.3569 5.3569 5.4532 5.5680 8.5668 8.5668 11.1807 11.1807 11.8980 11.8980 11.9505 11.9904 13.4728 13.4728 13.7762 13.7901 k = 0.2381 0.1375 0.0972 ( 8354 PWs) bands (ev): -37.3963 -37.3963 -36.9489 -36.9489 -3.4517 -3.4410 -3.4410 -3.4343 -1.3819 -1.3819 -1.3083 -1.3061 -1.3061 -1.2655 0.7780 0.7780 3.8302 3.9220 3.9220 3.9550 4.9104 4.9104 5.3473 5.3473 5.4572 5.5735 8.3795 8.3795 11.1168 11.1168 11.8802 11.8802 11.8988 11.9395 13.4508 13.4508 13.7180 13.7280 k = 0.2500 0.1443 0.1021 ( 8345 PWs) bands (ev): -37.3963 -37.3963 -36.9489 -36.9489 -3.4516 -3.4408 -3.4408 -3.4342 -1.3816 -1.3816 -1.3071 -1.3066 -1.3066 -1.2642 0.8214 0.8214 3.8308 3.9296 3.9296 3.9562 4.9157 4.9157 5.3376 5.3376 5.4619 5.5789 8.1955 8.1955 11.0546 11.0546 11.8491 11.8634 11.8634 11.8905 13.4271 13.4271 13.6595 13.6661 k = 0.2619 0.1512 0.1069 ( 8351 PWs) bands (ev): -37.3963 -37.3963 -36.9489 -36.9489 -3.4514 -3.4405 -3.4405 -3.4341 -1.3814 -1.3814 -1.3070 -1.3070 -1.3058 -1.2629 0.8659 0.8659 3.8317 3.9383 3.9383 3.9569 4.9210 4.9210 5.3278 5.3278 5.4670 5.5842 8.0150 8.0150 10.9944 10.9944 11.8017 11.8435 11.8474 11.8474 13.4023 13.4023 13.6013 13.6050 k = 0.2738 0.1581 0.1118 ( 8348 PWs) bands (ev): -37.3963 -37.3963 -36.9489 -36.9489 -3.4512 -3.4403 -3.4403 -3.4340 -1.3810 -1.3810 -1.3075 -1.3075 -1.3043 -1.2618 0.9112 0.9112 3.8328 3.9481 3.9481 3.9571 4.9263 4.9263 5.3181 5.3181 5.4727 5.5893 7.8384 7.8385 10.9361 10.9361 11.7565 11.7986 11.8323 11.8323 13.3769 13.3769 13.5439 13.5450 k = 0.2857 0.1650 0.1166 ( 8345 PWs) bands (ev): -37.3962 -37.3962 -36.9489 -36.9489 -3.4510 -3.4400 -3.4400 -3.4340 -1.3807 -1.3807 -1.3080 -1.3080 -1.3027 -1.2608 0.9571 0.9571 3.8341 3.9568 3.9592 3.9592 4.9316 4.9316 5.3083 5.3083 5.4788 5.5942 7.6660 7.6660 10.8800 10.8800 11.7135 11.7556 11.8181 11.8181 13.3514 13.3514 13.4866 13.4877 k = 0.2976 0.1718 0.1215 ( 8345 PWs) bands (ev): -37.3962 -37.3962 -36.9489 -36.9489 -3.4507 -3.4398 -3.4398 -3.4341 -1.3804 -1.3804 -1.3086 -1.3086 -1.3011 -1.2599 1.0033 1.0033 3.8357 3.9561 3.9718 3.9718 4.9367 4.9367 5.2985 5.2985 5.4853 5.5988 7.4981 7.4981 10.8260 10.8260 11.6728 11.7146 11.8048 11.8048 13.3260 13.3260 13.4301 13.4330 k = 0.3095 0.1787 0.1264 ( 8357 PWs) bands (ev): -37.3962 -37.3962 -36.9489 -36.9489 -3.4504 -3.4396 -3.4396 -3.4342 -1.3800 -1.3800 -1.3091 -1.3091 -1.2993 -1.2592 1.0496 1.0496 3.8375 3.9549 3.9860 3.9860 4.9416 4.9416 5.2888 5.2888 5.4923 5.6032 7.3350 7.3350 10.7743 10.7743 11.6344 11.6757 11.7923 11.7923 13.3012 13.3012 13.3757 13.3802 k = 0.3214 0.1856 0.1312 ( 8363 PWs) bands (ev): -37.3962 -37.3962 -36.9489 -36.9489 -3.4500 -3.4394 -3.4394 -3.4344 -1.3797 -1.3797 -1.3097 -1.3097 -1.2975 -1.2586 1.0957 1.0957 3.8395 3.9533 4.0018 4.0018 4.9461 4.9461 5.2790 5.2790 5.4996 5.6072 7.1770 7.1770 10.7250 10.7250 11.5982 11.6388 11.7808 11.7808 13.2771 13.2771 13.3237 13.3294 k = 0.3333 0.1925 0.1361 ( 8360 PWs) bands (ev): -37.3962 -37.3962 -36.9489 -36.9489 -3.4496 -3.4392 -3.4392 -3.4346 -1.3793 -1.3793 -1.3102 -1.3102 -1.2956 -1.2582 1.1413 1.1413 3.8418 3.9513 4.0195 4.0195 4.9502 4.9502 5.2692 5.2692 5.5072 5.6109 7.0246 7.0246 10.6783 10.6783 11.5644 11.6040 11.7700 11.7700 13.2539 13.2539 13.2744 13.2811 k = 0.3452 0.1993 0.1409 ( 8366 PWs) bands (ev): -37.3962 -37.3962 -36.9490 -36.9490 -3.4492 -3.4390 -3.4390 -3.4348 -1.3789 -1.3789 -1.3108 -1.3108 -1.2936 -1.2579 1.1860 1.1860 3.8443 3.9488 4.0392 4.0392 4.9536 4.9536 5.2592 5.2592 5.5150 5.6142 6.8782 6.8782 10.6342 10.6342 11.5330 11.5712 11.7601 11.7601 13.2278 13.2318 13.2318 13.2352 k = 0.3571 0.2062 0.1458 ( 8372 PWs) bands (ev): -37.3962 -37.3962 -36.9490 -36.9490 -3.4487 -3.4388 -3.4388 -3.4351 -1.3785 -1.3785 -1.3114 -1.3114 -1.2916 -1.2578 1.2295 1.2295 3.8471 3.9460 4.0609 4.0609 4.9564 4.9564 5.2490 5.2490 5.5230 5.6171 6.7384 6.7384 10.5928 10.5928 11.5039 11.5405 11.7510 11.7510 13.1842 13.1921 13.2110 13.2110 k = 0.3690 0.2131 0.1507 ( 8360 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4482 -3.4386 -3.4386 -3.4354 -1.3782 -1.3782 -1.3120 -1.3120 -1.2896 -1.2579 1.2714 1.2715 3.8500 3.9428 4.0847 4.0847 4.9582 4.9582 5.2385 5.2385 5.5310 5.6194 6.6058 6.6058 10.5543 10.5543 11.4772 11.5120 11.7428 11.7428 13.1437 13.1518 13.1915 13.1915 k = 0.3810 0.2199 0.1555 ( 8360 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4477 -3.4385 -3.4385 -3.4358 -1.3778 -1.3778 -1.3125 -1.3125 -1.2875 -1.2581 1.3114 1.3115 3.8532 3.9393 4.1106 4.1106 4.9589 4.9589 5.2276 5.2276 5.5391 5.6213 6.4810 6.4810 10.5187 10.5187 11.4529 11.4856 11.7353 11.7353 13.1064 13.1146 13.1734 13.1734 k = 0.3929 0.2268 0.1604 ( 8372 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4471 -3.4383 -3.4383 -3.4362 -1.3774 -1.3774 -1.3130 -1.3130 -1.2854 -1.2584 1.3491 1.3491 3.8566 3.9355 4.1386 4.1386 4.9582 4.9582 5.2162 5.2162 5.5472 5.6226 6.3650 6.3650 10.4862 10.4862 11.4311 11.4614 11.7285 11.7285 13.0725 13.0805 13.1569 13.1569 k = 0.4048 0.2337 0.1652 ( 8372 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4465 -3.4382 -3.4382 -3.4367 -1.3771 -1.3771 -1.3135 -1.3135 -1.2833 -1.2589 1.3841 1.3841 3.8602 3.9315 4.1683 4.1683 4.9560 4.9560 5.2043 5.2043 5.5551 5.6234 6.2584 6.2585 10.4568 10.4568 11.4117 11.4394 11.7225 11.7226 13.0420 13.0496 13.1420 13.1420 k = 0.4167 0.2406 0.1701 ( 8384 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4459 -3.4381 -3.4381 -3.4372 -1.3768 -1.3768 -1.3140 -1.3140 -1.2812 -1.2596 1.4160 1.4160 3.8640 3.9272 4.1995 4.1995 4.9518 4.9518 5.1920 5.1920 5.5629 5.6235 6.1624 6.1624 10.4307 10.4307 11.3948 11.4196 11.7173 11.7173 13.0150 13.0221 13.1288 13.1288 k = 0.4286 0.2474 0.1750 ( 8381 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4453 -3.4380 -3.4380 -3.4377 -1.3765 -1.3765 -1.3144 -1.3144 -1.2792 -1.2604 1.4445 1.4445 3.8679 3.9228 4.2314 4.2314 4.9456 4.9456 5.1797 5.1797 5.5704 5.6231 6.0779 6.0779 10.4078 10.4078 11.3805 11.4021 11.7128 11.7128 12.9915 12.9979 13.1172 13.1172 k = 0.4405 0.2543 0.1798 ( 8381 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4446 -3.4383 -3.4379 -3.4379 -1.3762 -1.3762 -1.3148 -1.3148 -1.2772 -1.2613 1.4692 1.4692 3.8720 3.9183 4.2634 4.2634 4.9371 4.9371 5.1677 5.1677 5.5776 5.6220 6.0055 6.0055 10.3884 10.3884 11.3686 11.3869 11.7090 11.7090 12.9718 12.9773 13.1073 13.1073 k = 0.4524 0.2612 0.1847 ( 8375 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4440 -3.4389 -3.4378 -3.4378 -1.3760 -1.3760 -1.3151 -1.3151 -1.2752 -1.2624 1.4899 1.4899 3.8763 3.9136 4.2939 4.2939 4.9266 4.9266 5.1567 5.1567 5.5844 5.6203 5.9461 5.9461 10.3724 10.3724 11.3592 11.3741 11.7059 11.7059 12.9556 12.9602 13.0993 13.0993 k = 0.4643 0.2681 0.1895 ( 8382 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4433 -3.4395 -3.4378 -3.4378 -1.3759 -1.3759 -1.3153 -1.3153 -1.2733 -1.2637 1.5062 1.5062 3.8807 3.9089 4.3214 4.3214 4.9152 4.9152 5.1475 5.1475 5.5908 5.6179 5.8999 5.8999 10.3599 10.3599 11.3523 11.3636 11.7035 11.7035 12.9432 12.9467 13.0929 13.0929 k = 0.4762 0.2749 0.1944 ( 8376 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4427 -3.4401 -3.4377 -3.4377 -1.3757 -1.3757 -1.3155 -1.3155 -1.2715 -1.2650 1.5181 1.5181 3.8853 3.9041 4.3436 4.3436 4.9046 4.9046 5.1405 5.1405 5.5967 5.6149 5.8670 5.8670 10.3510 10.3510 11.3480 11.3556 11.7018 11.7018 12.9345 12.9369 13.0884 13.0884 k = 0.4881 0.2818 0.1993 ( 8388 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4420 -3.4407 -3.4377 -3.4377 -1.3756 -1.3756 -1.3156 -1.3156 -1.2697 -1.2665 1.5252 1.5252 3.8899 3.8994 4.3582 4.3582 4.8968 4.8968 5.1362 5.1362 5.6021 5.6112 5.8473 5.8473 10.3456 10.3456 11.3462 11.3500 11.7008 11.7008 12.9295 12.9307 13.0857 13.0857 k = 0.5000 0.2887 0.2041 ( 8388 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4414 -3.4414 -3.4377 -3.4377 -1.3756 -1.3756 -1.3156 -1.3156 -1.2680 -1.2680 1.5276 1.5276 3.8946 3.8946 4.3633 4.3633 4.8940 4.8940 5.1348 5.1348 5.6070 5.6070 5.8408 5.8408 10.3438 10.3438 11.3468 11.3468 11.7004 11.7004 12.9282 12.9282 13.0848 13.0848 k = 0.5000 0.2887 0.2041 ( 8388 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4414 -3.4414 -3.4377 -3.4377 -1.3756 -1.3756 -1.3156 -1.3156 -1.2680 -1.2680 1.5276 1.5276 3.8946 3.8946 4.3633 4.3633 4.8940 4.8940 5.1348 5.1348 5.6070 5.6070 5.8408 5.8408 10.3438 10.3438 11.3468 11.3468 11.7004 11.7004 12.9282 12.9282 13.0848 13.0848 k = 0.5042 0.2766 0.2109 ( 8388 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4415 -3.4415 -3.4377 -3.4375 -1.3758 -1.3754 -1.3159 -1.3153 -1.2680 -1.2680 1.5283 1.5290 3.8947 3.8947 4.3584 4.3675 4.8896 4.8994 5.1308 5.1392 5.6075 5.6075 5.8366 5.8450 10.3263 10.3336 11.3031 11.3039 11.7384 11.7473 12.9343 12.9344 13.0925 13.0983 k = 0.5083 0.2646 0.2177 ( 8366 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4417 -3.4417 -3.4374 -3.4372 -1.3760 -1.3752 -1.3162 -1.3149 -1.2680 -1.2679 1.5309 1.5323 3.8950 3.8952 4.3528 4.3708 4.8863 4.9057 5.1272 5.1442 5.6090 5.6091 5.8323 5.8492 10.2821 10.2961 11.2075 11.2104 11.8262 11.8417 12.9524 12.9528 13.1215 13.1329 k = 0.5125 0.2526 0.2245 ( 8362 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4421 -3.4421 -3.4370 -3.4366 -1.3762 -1.3750 -1.3164 -1.3145 -1.2679 -1.2678 1.5356 1.5376 3.8955 3.8959 4.3465 4.3733 4.8841 4.9129 5.1239 5.1499 5.6116 5.6116 5.8278 5.8535 10.2136 10.2328 11.0967 11.1015 11.9253 11.9458 12.9824 12.9842 13.1719 13.1885 k = 0.5167 0.2406 0.2313 ( 8362 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4426 -3.4425 -3.4366 -3.4360 -1.3763 -1.3749 -1.3166 -1.3141 -1.2678 -1.2676 1.5421 1.5449 3.8961 3.8970 4.3396 4.3751 4.8828 4.9205 5.1211 5.1562 5.6151 5.6152 5.8231 5.8581 10.1238 10.1467 10.9837 10.9893 12.0198 12.0440 13.0252 13.0298 13.2430 13.2640 k = 0.5208 0.2285 0.2381 ( 8371 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4431 -3.4429 -3.4361 -3.4354 -1.3765 -1.3747 -1.3168 -1.3135 -1.2677 -1.2673 1.5506 1.5541 3.8968 3.8985 4.3321 4.3762 4.8825 4.9285 5.1188 5.1634 5.6197 5.6197 5.8181 5.8632 10.0165 10.0415 10.8723 10.8776 12.1027 12.1289 13.0821 13.0913 13.3327 13.3576 k = 0.5250 0.2165 0.2449 ( 8365 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4436 -3.4433 -3.4356 -3.4347 -1.3765 -1.3746 -1.3170 -1.3129 -1.2677 -1.2669 1.5609 1.5653 3.8975 3.9005 4.3242 4.3767 4.8830 4.9363 5.1171 5.1715 5.6250 5.6252 5.8129 5.8687 9.8953 9.9213 10.7634 10.7676 12.1705 12.1969 13.1540 13.1694 13.4387 13.4670 k = 0.5292 0.2045 0.2518 ( 8365 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4440 -3.4437 -3.4351 -3.4339 -1.3766 -1.3746 -1.3172 -1.3122 -1.2676 -1.2665 1.5731 1.5783 3.8982 3.9029 4.3159 4.3767 4.8842 4.9435 5.1165 5.1806 5.6310 5.6317 5.8074 5.8751 9.7639 9.7900 10.6569 10.6594 12.2224 12.2477 13.2404 13.2633 13.5580 13.5895 k = 0.5333 0.1925 0.2586 ( 8373 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4445 -3.4441 -3.4347 -3.4332 -1.3766 -1.3746 -1.3174 -1.3115 -1.2676 -1.2659 1.5870 1.5930 3.8987 3.9057 4.3073 4.3764 4.8861 4.9495 5.1174 5.1906 5.6375 5.6391 5.8016 5.8825 9.6251 9.6510 10.5524 10.5530 12.2597 12.2831 13.3398 13.3706 13.6877 13.7221 k = 0.5375 0.1804 0.2654 ( 8377 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4450 -3.4445 -3.4342 -3.4324 -1.3766 -1.3746 -1.3176 -1.3107 -1.2676 -1.2652 1.6026 1.6095 3.8992 3.9091 4.2986 4.3758 4.8884 4.9537 5.1201 5.2016 5.6442 5.6474 5.7956 5.8912 9.4815 9.5072 10.4480 10.4494 12.2848 12.3058 13.4497 13.4885 13.8248 13.8619 k = 0.5417 0.1684 0.2722 ( 8379 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4455 -3.4448 -3.4338 -3.4316 -1.3766 -1.3747 -1.3179 -1.3098 -1.2676 -1.2645 1.6197 1.6277 3.8994 3.9131 4.2897 4.3751 4.8910 4.9556 5.1251 5.2135 5.6509 5.6567 5.7893 5.9013 9.3350 9.3607 10.3445 10.3478 12.3003 12.3189 13.5679 13.6145 13.9664 14.0054 k = 0.5458 0.1564 0.2790 ( 8378 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4459 -3.4451 -3.4334 -3.4309 -1.3765 -1.3748 -1.3181 -1.3088 -1.2677 -1.2636 1.6384 1.6474 3.8994 3.9176 4.2807 4.3745 4.8940 4.9548 5.1328 5.2263 5.6573 5.6667 5.7829 5.9133 9.1873 9.2133 10.2425 10.2474 12.3084 12.3247 13.6921 13.7464 14.1098 14.1494 k = 0.5500 0.1443 0.2858 ( 8370 PWs) bands (ev): -37.3961 -37.3960 -36.9490 -36.9490 -3.4463 -3.4453 -3.4330 -3.4301 -1.3763 -1.3749 -1.3184 -1.3077 -1.2678 -1.2626 1.6584 1.6685 3.8990 3.9227 4.2717 4.3741 4.8972 4.9513 5.1430 5.2398 5.6631 5.6774 5.7765 5.9273 9.0396 9.0664 10.1419 10.1484 12.3112 12.3253 13.8206 13.8825 14.2522 14.2906 k = 0.5542 0.1323 0.2926 ( 8378 PWs) bands (ev): -37.3961 -37.3960 -36.9491 -36.9490 -3.4467 -3.4455 -3.4327 -3.4293 -1.3762 -1.3752 -1.3187 -1.3066 -1.2679 -1.2616 1.6798 1.6909 3.8983 3.9284 4.2627 4.3740 4.9005 4.9452 5.1557 5.2540 5.6682 5.6882 5.7705 5.9434 8.8930 8.9212 10.0429 10.0508 12.3100 12.3221 13.9516 14.0212 14.3909 14.4255 k = 0.5583 0.1203 0.2994 ( 8376 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9490 -3.4470 -3.4457 -3.4324 -3.4286 -1.3760 -1.3754 -1.3190 -1.3054 -1.2681 -1.2605 1.7022 1.7145 3.8972 3.9347 4.2537 4.3743 4.9040 4.9367 5.1705 5.2687 5.6723 5.6984 5.7658 5.9616 8.7485 8.7788 9.9456 9.9547 12.3059 12.3162 14.0831 14.1606 14.5234 14.5512 k = 0.5625 0.1083 0.3062 ( 8380 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9490 -3.4473 -3.4459 -3.4321 -3.4279 -1.3758 -1.3757 -1.3194 -1.3042 -1.2683 -1.2593 1.7257 1.7391 3.8957 3.9416 4.2448 4.3751 4.9074 4.9262 5.1871 5.2839 5.6755 5.7062 5.7638 5.9820 8.6068 8.6398 9.8502 9.8604 12.2999 12.3084 14.2127 14.2983 14.6474 14.6656 k = 0.5667 0.0962 0.3130 ( 8382 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9490 -3.4476 -3.4460 -3.4319 -3.4272 -1.3760 -1.3755 -1.3197 -1.3029 -1.2685 -1.2581 1.7499 1.7646 3.8937 3.9491 4.2361 4.3766 4.9109 4.9139 5.2053 5.2994 5.6775 5.7093 5.7669 6.0043 8.4688 8.5054 9.7568 9.7679 12.2926 12.2995 14.3366 14.4293 14.7616 14.7694 k = 0.5708 0.0842 0.3198 ( 8386 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4479 -3.4460 -3.4317 -3.4265 -1.3764 -1.3753 -1.3200 -1.3015 -1.2688 -1.2568 1.7748 1.7907 3.8913 3.9573 4.2274 4.3788 4.9002 4.9143 5.2249 5.3152 5.6785 5.7069 5.7755 6.0283 8.3350 8.3761 9.6655 9.6774 12.2844 12.2897 14.4487 14.5449 14.8670 14.8683 k = 0.5750 0.0722 0.3266 ( 8387 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4481 -3.4461 -3.4315 -3.4259 -1.3767 -1.3750 -1.3204 -1.3002 -1.2691 -1.2555 1.8002 1.8173 3.8883 3.9660 4.2189 4.3817 4.8853 4.9176 5.2457 5.3312 5.6785 5.7007 5.7879 6.0535 8.2063 8.2528 9.5766 9.5892 12.2757 12.2796 14.5399 14.6316 14.9689 14.9737 k = 0.5792 0.0601 0.3334 ( 8375 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4483 -3.4461 -3.4314 -3.4253 -1.3771 -1.3747 -1.3208 -1.2988 -1.2694 -1.2543 1.8257 1.8441 3.8848 3.9752 4.2105 4.3854 4.8695 4.9206 5.2676 5.3475 5.6777 5.6922 5.8021 6.0795 8.0835 8.1364 9.4903 9.5033 12.2668 12.2693 14.6006 14.6797 15.0758 15.0958 k = 0.5833 0.0481 0.3402 ( 8381 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4484 -3.4461 -3.4314 -3.4247 -1.3775 -1.3744 -1.3211 -1.2974 -1.2697 -1.2530 1.8513 1.8708 3.8808 3.9849 4.2024 4.3899 4.8529 4.9232 5.2904 5.3640 5.6760 5.6824 5.8168 6.1057 7.9673 8.0275 9.4066 9.4200 12.2581 12.2592 14.6262 14.6911 15.1934 15.2344 k = 0.5875 0.0361 0.3470 ( 8375 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4485 -3.4460 -3.4313 -3.4242 -1.3779 -1.3741 -1.3214 -1.2960 -1.2700 -1.2517 1.8766 1.8973 3.8764 3.9949 4.1943 4.3952 4.8359 4.9253 5.3141 5.3809 5.6717 5.6736 5.8313 6.1314 7.8587 7.9272 9.3258 9.3394 12.2494 12.2496 14.6199 14.6740 15.3218 15.3843 k = 0.5917 0.0241 0.3538 ( 8379 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4486 -3.4459 -3.4314 -3.4237 -1.3782 -1.3739 -1.3218 -1.2946 -1.2703 -1.2505 1.9014 1.9232 3.8715 4.0050 4.1866 4.4012 4.8186 4.9267 5.3387 5.3982 5.6604 5.6707 5.8448 6.1557 7.7587 7.8361 9.2480 9.2618 12.2400 12.2415 14.5886 14.6360 15.4580 15.5412 k = 0.5958 0.0120 0.3606 ( 8383 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4486 -3.4458 -3.4314 -3.4233 -1.3786 -1.3736 -1.3221 -1.2933 -1.2705 -1.2494 1.9254 1.9482 3.8662 4.0150 4.1791 4.4080 4.8015 4.9271 5.3642 5.4163 5.6488 5.6672 5.8568 6.1777 7.6685 7.7552 9.1735 9.1872 12.2312 12.2339 14.5392 14.5827 15.5983 15.7023 k = 0.6000 0.0000 0.3674 ( 8385 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4487 -3.4457 -3.4315 -3.4229 -1.3789 -1.3734 -1.3223 -1.2921 -1.2706 -1.2483 1.9483 1.9721 3.8605 4.0246 4.1721 4.4152 4.7848 4.9263 5.3904 5.4351 5.6371 5.6634 5.8667 6.1964 7.5891 7.6850 9.1024 9.1158 12.2230 12.2269 14.4770 14.5185 15.7398 15.8660 k = 0.6042-0.0120 0.3742 ( 8379 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4487 -3.4455 -3.4316 -3.4226 -1.3792 -1.3732 -1.3226 -1.2911 -1.2707 -1.2474 1.9697 1.9944 3.8545 4.0332 4.1656 4.4229 4.7689 4.9240 5.4174 5.4550 5.6254 5.6594 5.8742 6.2106 7.5219 7.6264 9.0348 9.0479 12.2156 12.2207 14.4058 14.4463 15.8797 16.0307 k = 0.6083-0.0241 0.3810 ( 8389 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4486 -3.4453 -3.4318 -3.4223 -1.3795 -1.3730 -1.3228 -1.2902 -1.2706 -1.2465 1.9895 2.0148 3.8482 4.0403 4.1601 4.4309 4.7543 4.9202 5.4449 5.4761 5.6140 5.6554 5.8791 6.2193 7.4681 7.5796 8.9710 8.9836 12.2089 12.2152 14.3285 14.3685 16.0150 16.1946 k = 0.6125-0.0361 0.3878 ( 8383 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4486 -3.4451 -3.4320 -3.4221 -1.3798 -1.3729 -1.3229 -1.2895 -1.2703 -1.2457 2.0071 2.0331 3.8418 4.0450 4.1560 4.4388 4.7413 4.9145 5.4727 5.4985 5.6034 5.6517 5.8813 6.2219 7.4284 7.5449 8.9112 8.9231 12.2031 12.2106 14.2471 14.2869 16.1423 16.3549 k = 0.6167-0.0481 0.3946 ( 8378 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4485 -3.4449 -3.4322 -3.4219 -1.3800 -1.3728 -1.3230 -1.2890 -1.2699 -1.2450 2.0224 2.0488 3.8352 4.0468 4.1534 4.4463 4.7305 4.9070 5.5004 5.5219 5.5941 5.6488 5.8811 6.2180 7.4034 7.5223 8.8556 8.8665 12.1982 12.2068 14.1630 14.2028 16.2577 16.5061 k = 0.6208-0.0601 0.4014 ( 8378 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4484 -3.4447 -3.4324 -3.4218 -1.3802 -1.3728 -1.3231 -1.2888 -1.2692 -1.2445 2.0350 2.0617 3.8286 4.0451 4.1527 4.4532 4.7223 4.8978 5.5267 5.5441 5.5887 5.6479 5.8790 6.2081 7.3928 7.5113 8.8043 8.8141 12.1941 12.2039 14.0775 14.1172 16.3569 16.6370 k = 0.6250-0.0722 0.4082 ( 8394 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4483 -3.4445 -3.4327 -3.4217 -1.3804 -1.3729 -1.3231 -1.2888 -1.2685 -1.2441 2.0445 2.0714 3.8220 4.0399 4.1534 4.4589 4.7170 4.8871 5.5496 5.5558 5.5965 5.6509 5.8759 6.1933 7.3958 7.5115 8.7576 8.7661 12.1910 12.2019 13.9913 14.0310 16.4358 16.7285 k = 0.6250-0.0722 0.4082 ( 8394 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4483 -3.4445 -3.4327 -3.4217 -1.3804 -1.3729 -1.3231 -1.2888 -1.2685 -1.2441 2.0445 2.0714 3.8220 4.0399 4.1534 4.4589 4.7170 4.8871 5.5496 5.5558 5.5965 5.6509 5.8759 6.1933 7.3958 7.5115 8.7576 8.7661 12.1910 12.2019 13.9913 14.0310 16.4358 16.7285 k = 0.6176-0.0679 0.4203 ( 8382 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4483 -3.4445 -3.4327 -3.4217 -1.3805 -1.3728 -1.3232 -1.2886 -1.2685 -1.2441 2.0448 2.0719 3.8228 4.0403 4.1531 4.4585 4.7166 4.8880 5.5413 5.5564 5.6021 5.6508 5.8779 6.1934 7.3961 7.5125 8.7505 8.7606 12.2007 12.2118 13.9907 14.0307 16.4163 16.7086 k = 0.6103-0.0637 0.4323 ( 8380 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4483 -3.4444 -3.4329 -3.4215 -1.3806 -1.3726 -1.3233 -1.2883 -1.2685 -1.2442 2.0458 2.0732 3.8251 4.0414 4.1520 4.4575 4.7155 4.8905 5.5243 5.5565 5.6122 5.6516 5.8836 6.1937 7.3970 7.5153 8.7299 8.7440 12.2295 12.2410 13.9889 14.0299 16.3636 16.6511 k = 0.6029-0.0594 0.4443 ( 8374 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4483 -3.4444 -3.4331 -3.4213 -1.3809 -1.3724 -1.3236 -1.2878 -1.2685 -1.2445 2.0474 2.0755 3.8290 4.0433 4.1501 4.4557 4.7138 4.8945 5.5039 5.5563 5.6188 5.6563 5.8927 6.1942 7.3985 7.5200 8.6973 8.7169 12.2765 12.2887 13.9860 14.0284 16.2890 16.5654 k = 0.5956-0.0552 0.4563 ( 8373 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4483 -3.4443 -3.4333 -3.4210 -1.3812 -1.3720 -1.3239 -1.2871 -1.2685 -1.2448 2.0497 2.0785 3.8345 4.0458 4.1477 4.4532 4.7119 4.8997 5.4817 5.5558 5.6191 5.6664 5.9044 6.1948 7.4005 7.5266 8.6541 8.6803 12.3401 12.3533 13.9817 14.0263 16.2019 16.4640 k = 0.5882-0.0509 0.4683 ( 8377 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4484 -3.4443 -3.4337 -3.4207 -1.3816 -1.3716 -1.3243 -1.2862 -1.2686 -1.2452 2.0525 2.0823 3.8413 4.0487 4.1446 4.4500 4.7101 4.9059 5.4586 5.5552 5.6156 5.6792 5.9180 6.1954 7.4028 7.5351 8.6020 8.6362 12.4185 12.4331 13.9762 14.0236 16.1085 16.3559 k = 0.5809-0.0467 0.4803 ( 8373 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4484 -3.4442 -3.4340 -3.4203 -1.3820 -1.3712 -1.3248 -1.2852 -1.2686 -1.2456 2.0558 2.0867 3.8496 4.0520 4.1410 4.4462 4.7085 4.9129 5.4348 5.5543 5.6108 5.6927 5.9329 6.1958 7.4054 7.5455 8.5428 8.5864 12.5096 12.5259 13.9692 14.0201 16.0126 16.2461 k = 0.5735-0.0425 0.4923 ( 8366 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4485 -3.4441 -3.4344 -3.4199 -1.3824 -1.3708 -1.3252 -1.2841 -1.2687 -1.2461 2.0595 2.0916 3.8592 4.0554 4.1372 4.4417 4.7075 4.9203 5.4107 5.5531 5.6056 5.7059 5.9487 6.1958 7.4082 7.5579 8.4784 8.5332 12.6109 12.6294 13.9608 14.0160 15.9168 16.1377 k = 0.5662-0.0382 0.5043 ( 8365 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4485 -3.4440 -3.4347 -3.4195 -1.3829 -1.3704 -1.3257 -1.2830 -1.2688 -1.2466 2.0637 2.0969 3.8700 4.0583 4.1335 4.4367 4.7071 4.9282 5.3865 5.5517 5.6007 5.7184 5.9649 6.1953 7.4109 7.5722 8.4107 8.4786 12.7198 12.7411 13.9507 14.0113 15.8231 16.0327 k = 0.5588-0.0340 0.5163 ( 8367 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4486 -3.4439 -3.4350 -3.4191 -1.3833 -1.3700 -1.3261 -1.2819 -1.2689 -1.2472 2.0680 2.1024 3.8819 4.0603 4.1304 4.4312 4.7074 4.9363 5.3626 5.5500 5.5963 5.7299 5.9811 6.1940 7.4133 7.5884 8.3414 8.4246 12.8337 12.8585 13.9391 14.0061 15.7334 15.9327 k = 0.5515-0.0297 0.5283 ( 8369 PWs) bands (ev): -37.3960 -37.3959 -36.9491 -36.9491 -3.4486 -3.4437 -3.4353 -3.4188 -1.3836 -1.3696 -1.3266 -1.2807 -1.2691 -1.2477 2.0725 2.1081 3.8946 4.0607 4.1284 4.4254 4.7083 4.9445 5.3391 5.5483 5.5925 5.7403 5.9972 6.1917 7.4152 7.6063 8.2722 8.3730 12.9493 12.9786 13.9259 14.0010 15.6491 15.8391 k = 0.5441-0.0255 0.5403 ( 8371 PWs) bands (ev): -37.3960 -37.3959 -36.9491 -36.9491 -3.4487 -3.4436 -3.4356 -3.4185 -1.3840 -1.3692 -1.3269 -1.2796 -1.2692 -1.2482 2.0770 2.1136 3.9080 4.0588 4.1282 4.4194 4.7098 4.9529 5.3165 5.5466 5.5893 5.7495 6.0128 6.1883 7.4164 7.6258 8.2049 8.3256 13.0629 13.0979 13.9115 13.9964 15.5723 15.7536 k = 0.5368-0.0212 0.5523 ( 8379 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4488 -3.4435 -3.4359 -3.4182 -1.3842 -1.3689 -1.3273 -1.2786 -1.2695 -1.2487 2.0813 2.1188 3.9219 4.0544 4.1297 4.4135 4.7116 4.9612 5.2952 5.5450 5.5866 5.7573 6.0278 6.1838 7.4168 7.6464 8.1411 8.2837 13.1702 13.2126 13.8964 13.9934 15.5049 15.6776 k = 0.5294-0.0170 0.5643 ( 8377 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4488 -3.4435 -3.4360 -3.4180 -1.3845 -1.3686 -1.3275 -1.2776 -1.2698 -1.2491 2.0852 2.1236 3.9358 4.0479 4.1327 4.4079 4.7136 4.9692 5.2757 5.5438 5.5843 5.7637 6.0419 6.1781 7.4163 7.6674 8.0827 8.2486 13.2659 13.3176 13.8815 13.9933 15.4491 15.6130 k = 0.5221-0.0127 0.5764 ( 8391 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4489 -3.4434 -3.4362 -3.4178 -1.3847 -1.3684 -1.3278 -1.2766 -1.2702 -1.2494 2.0887 2.1277 3.9492 4.0399 4.1364 4.4029 4.7154 4.9767 5.2589 5.5429 5.5823 5.7686 6.0546 6.1717 7.4151 7.6878 8.0320 8.2210 13.3444 13.4072 13.8688 13.9971 15.4074 15.5615 k = 0.5147-0.0085 0.5884 ( 8389 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4489 -3.4433 -3.4363 -3.4176 -1.3848 -1.3682 -1.3279 -1.2758 -1.2707 -1.2496 2.0914 2.1309 3.9615 4.0314 4.1400 4.3989 4.7169 4.9830 5.2456 5.5424 5.5807 5.7720 6.0653 6.1652 7.4135 7.7054 7.9919 8.2014 13.4010 13.4746 13.8605 14.0044 15.3812 15.5246 k = 0.5074-0.0042 0.6004 ( 8393 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4490 -3.4433 -3.4364 -3.4176 -1.3849 -1.3681 -1.3280 -1.2752 -1.2711 -1.2497 2.0932 2.1330 3.9711 4.0240 4.1427 4.3962 4.7178 4.9873 5.2369 5.5423 5.5796 5.7739 6.0727 6.1599 7.4120 7.7175 7.9659 8.1899 13.4335 13.5147 13.8579 14.0125 15.3698 15.5030 k = 0.5000 0.0000 0.6124 ( 8400 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4490 -3.4433 -3.4364 -3.4175 -1.3849 -1.3680 -1.3280 -1.2749 -1.2713 -1.2498 2.0938 2.1337 3.9751 4.0208 4.1438 4.3953 4.7181 4.9888 5.2339 5.5423 5.5791 5.7745 6.0755 6.1578 7.4113 7.7216 7.9570 8.1861 13.4436 13.5271 13.8583 14.0164 15.3679 15.4964 k = 0.5000 0.0000 0.6124 ( 8400 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4490 -3.4433 -3.4364 -3.4175 -1.3849 -1.3680 -1.3280 -1.2749 -1.2713 -1.2498 2.0938 2.1337 3.9751 4.0208 4.1438 4.3953 4.7181 4.9888 5.2339 5.5423 5.5791 5.7745 6.0755 6.1578 7.4113 7.7216 7.9570 8.1861 13.4436 13.5271 13.8583 14.0164 15.3679 15.4964 k = 0.5000 0.0085 0.6004 ( 8390 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4490 -3.4434 -3.4363 -3.4176 -1.3849 -1.3681 -1.3280 -1.2753 -1.2710 -1.2498 2.0923 2.1321 3.9748 4.0198 4.1443 4.3958 4.7177 4.9894 5.2347 5.5418 5.5792 5.7728 6.0711 6.1633 7.4108 7.7130 7.9736 8.1937 13.4368 13.5158 13.8685 14.0215 15.3540 15.4920 k = 0.5000 0.0170 0.5884 ( 8388 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4489 -3.4435 -3.4362 -3.4177 -1.3848 -1.3682 -1.3279 -1.2762 -1.2703 -1.2499 2.0879 2.1273 3.9740 4.0169 4.1457 4.3973 4.7166 4.9909 5.2370 5.5402 5.5793 5.7677 6.0605 6.1765 7.4099 7.6936 8.0171 8.2159 13.4173 13.4857 13.8952 14.0356 15.3200 15.4762 k = 0.5000 0.0255 0.5764 ( 8396 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4489 -3.4437 -3.4360 -3.4178 -1.3846 -1.3683 -1.3277 -1.2774 -1.2696 -1.2501 2.0806 2.1195 3.9728 4.0123 4.1479 4.3994 4.7153 4.9932 5.2404 5.5382 5.5789 5.7601 6.0477 6.1925 7.4104 7.6733 8.0777 8.2517 13.3874 13.4436 13.9309 14.0560 15.2777 15.4496 k = 0.5000 0.0340 0.5643 ( 8384 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4489 -3.4440 -3.4357 -3.4180 -1.3844 -1.3685 -1.3275 -1.2788 -1.2689 -1.2504 2.0706 2.1086 3.9710 4.0065 4.1508 4.4017 4.7145 4.9959 5.2442 5.5361 5.5775 5.7511 6.0344 6.2077 7.4145 7.6582 8.1492 8.2995 13.3496 13.3951 13.9696 14.0790 15.2353 15.4180 k = 0.5000 0.0425 0.5523 ( 8380 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4488 -3.4443 -3.4353 -3.4183 -1.3841 -1.3688 -1.3272 -1.2802 -1.2682 -1.2507 2.0579 2.0949 3.9688 3.9998 4.1542 4.4036 4.7150 4.9986 5.2477 5.5341 5.5749 5.7418 6.0210 6.2199 7.4248 7.6513 8.2285 8.3576 13.3062 13.3432 14.0068 14.1010 15.1976 15.3872 k = 0.5000 0.0509 0.5403 ( 8374 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4487 -3.4447 -3.4350 -3.4186 -1.3837 -1.3691 -1.3269 -1.2817 -1.2676 -1.2511 2.0428 2.0785 3.9662 3.9927 4.1582 4.4049 4.7173 5.0012 5.2502 5.5316 5.5717 5.7334 6.0072 6.2275 7.4438 7.6544 8.3139 8.4244 13.2591 13.2899 14.0394 14.1186 15.1682 15.3612 k = 0.5000 0.0594 0.5283 ( 8376 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4487 -3.4450 -3.4346 -3.4190 -1.3833 -1.3695 -1.3265 -1.2833 -1.2671 -1.2516 2.0255 2.0598 3.9631 3.9854 4.1625 4.4051 4.7218 5.0035 5.2509 5.5269 5.5696 5.7267 5.9928 6.2294 7.4731 7.6683 8.4043 8.4988 13.2096 13.2361 14.0649 14.1291 15.1495 15.3426 k = 0.5000 0.0679 0.5163 ( 8368 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4486 -3.4453 -3.4343 -3.4194 -1.3828 -1.3699 -1.3260 -1.2850 -1.2667 -1.2522 2.0061 2.0389 3.9597 3.9783 4.1673 4.4042 4.7286 5.0054 5.2494 5.5182 5.5705 5.7219 5.9773 6.2253 7.5139 7.6936 8.4990 8.5794 13.1589 13.1825 14.0811 14.1306 15.1433 15.3330 k = 0.5000 0.0764 0.5043 ( 8366 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4484 -3.4457 -3.4339 -3.4199 -1.3823 -1.3703 -1.3255 -1.2867 -1.2664 -1.2528 1.9850 2.0162 3.9559 3.9716 4.1724 4.4022 4.7375 5.0068 5.2456 5.5051 5.5751 5.7192 5.9606 6.2155 7.5665 7.7304 8.5974 8.6656 13.1076 13.1294 14.0865 14.1225 15.1501 15.3331 k = 0.5000 0.0849 0.4923 ( 8378 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4483 -3.4459 -3.4336 -3.4205 -1.3818 -1.3708 -1.3250 -1.2884 -1.2662 -1.2534 1.9623 1.9918 3.9518 3.9653 4.1779 4.3995 4.7483 5.0078 5.2396 5.4889 5.5824 5.7182 5.9426 6.2004 7.6308 7.7786 8.6990 8.7564 13.0565 13.0770 14.0790 14.1064 15.1690 15.3425 k = 0.5000 0.0934 0.4803 ( 8376 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4482 -3.4462 -3.4333 -3.4211 -1.3812 -1.3712 -1.3245 -1.2901 -1.2660 -1.2542 1.9384 1.9662 3.9474 3.9595 4.1838 4.3962 4.7604 5.0084 5.2317 5.4705 5.5914 5.7187 5.9234 6.1811 7.7062 7.8380 8.8035 8.8513 13.0060 13.0254 14.0569 14.0854 15.1983 15.3595 k = 0.5000 0.1019 0.4683 ( 8378 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4481 -3.4464 -3.4331 -3.4217 -1.3806 -1.3717 -1.3239 -1.2918 -1.2659 -1.2549 1.9135 1.9395 3.9430 3.9541 4.1900 4.3926 4.7734 5.0086 5.2223 5.4507 5.6011 5.7203 5.9031 6.1586 7.7917 7.9081 8.9105 8.9499 12.9563 12.9747 14.0223 14.0597 15.2350 15.3814 k = 0.5000 0.1104 0.4563 ( 8380 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4479 -3.4466 -3.4329 -3.4224 -1.3800 -1.3722 -1.3233 -1.2935 -1.2658 -1.2557 1.8879 1.9122 3.9387 3.9492 4.1966 4.3889 4.7870 5.0084 5.2117 5.4301 5.6109 5.7229 5.8819 6.1339 7.8867 7.9883 9.0198 9.0515 12.9076 12.9250 13.9794 14.0280 15.2759 15.4045 k = 0.5000 0.1189 0.4443 ( 8384 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4477 -3.4467 -3.4327 -3.4231 -1.3795 -1.3727 -1.3228 -1.2953 -1.2658 -1.2566 1.8618 1.8843 3.9345 3.9445 4.2035 4.3855 4.8005 5.0079 5.2003 5.4091 5.6203 5.7263 5.8603 6.1079 7.9900 8.0780 9.1309 9.1559 12.8602 12.8763 13.9307 13.9904 15.3171 15.4237 k = 0.5000 0.1274 0.4323 ( 8388 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4475 -3.4468 -3.4326 -3.4238 -1.3789 -1.3732 -1.3222 -1.2969 -1.2658 -1.2575 1.8355 1.8563 3.9305 3.9400 4.2109 4.3823 4.8138 5.0069 5.1886 5.3880 5.6288 5.7305 5.8385 6.0815 8.1010 8.1766 9.2438 9.2628 12.8140 12.8287 13.8778 13.9477 15.3521 15.4330 k = 0.5000 0.1358 0.4203 ( 8380 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4473 -3.4469 -3.4326 -3.4246 -1.3783 -1.3736 -1.3216 -1.2986 -1.2659 -1.2583 1.8092 1.8283 3.9268 3.9357 4.2185 4.3797 4.8265 5.0055 5.1768 5.3669 5.6361 5.7353 5.8167 6.0553 8.2188 8.2833 9.3579 9.3718 12.7690 12.7822 13.8220 13.9007 15.3627 15.4335 k = 0.5000 0.1443 0.4082 ( 8368 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9490 -3.4471 -3.4469 -3.4326 -3.4254 -1.3778 -1.3740 -1.3211 -1.3002 -1.2660 -1.2592 1.7831 1.8006 3.9234 3.9316 4.2264 4.3775 4.8383 5.0036 5.1653 5.3461 5.6419 5.7408 5.7953 6.0300 8.3427 8.3976 9.4730 9.4829 12.7252 12.7367 13.7640 13.8502 15.3108 15.4416 k = 0.5000 0.1528 0.3962 ( 8374 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9490 -3.4469 -3.4468 -3.4326 -3.4262 -1.3773 -1.3744 -1.3206 -1.3017 -1.2661 -1.2601 1.7574 1.7734 3.9202 3.9277 4.2347 4.3758 4.8489 5.0012 5.1544 5.3257 5.6461 5.7467 5.7747 6.0061 8.4720 8.5186 9.5882 9.5961 12.6823 12.6924 13.7044 13.7966 15.1945 15.4426 k = 0.5000 0.1613 0.3842 ( 8372 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9490 -3.4467 -3.4466 -3.4327 -3.4270 -1.3769 -1.3747 -1.3201 -1.3032 -1.2662 -1.2610 1.7325 1.7470 3.9173 3.9239 4.2432 4.3746 4.8582 4.9981 5.1445 5.3058 5.6487 5.7504 5.7574 5.9838 8.6059 8.6458 9.7032 9.7116 12.6399 12.6493 13.6437 13.7405 15.0365 15.2949 k = 0.5000 0.1698 0.3722 ( 8368 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9490 -3.4465 -3.4463 -3.4328 -3.4279 -1.3766 -1.3749 -1.3196 -1.3046 -1.2664 -1.2619 1.7083 1.7214 3.9146 3.9204 4.2519 4.3740 4.8660 4.9944 5.1357 5.2866 5.6498 5.7346 5.7609 5.9634 8.7439 8.7784 9.8179 9.8285 12.5977 12.6074 13.5822 13.6821 14.8571 15.0820 k = 0.5000 0.1783 0.3602 ( 8364 PWs) bands (ev): -37.3960 -37.3960 -36.9490 -36.9490 -3.4463 -3.4460 -3.4330 -3.4287 -1.3765 -1.3749 -1.3191 -1.3060 -1.2665 -1.2627 1.6851 1.6969 3.9121 3.9170 4.2608 4.3738 4.8723 4.9898 5.1284 5.2683 5.6493 5.7168 5.7676 5.9452 8.8851 8.9157 9.9328 9.9460 12.5552 12.5665 13.5202 13.6216 14.6681 14.8660 k = 0.5000 0.1868 0.3482 ( 8360 PWs) bands (ev): -37.3960 -37.3960 -36.9490 -36.9490 -3.4460 -3.4457 -3.4333 -3.4296 -1.3765 -1.3749 -1.3187 -1.3072 -1.2667 -1.2635 1.6631 1.6737 3.9097 3.9138 4.2698 4.3740 4.8770 4.9845 5.1226 5.2510 5.6476 5.7001 5.7745 5.9290 9.0288 9.0568 10.0479 10.0635 12.5120 12.5261 13.4580 13.5591 14.4761 14.6517 k = 0.5000 0.1953 0.3362 ( 8358 PWs) bands (ev): -37.3961 -37.3960 -36.9490 -36.9490 -3.4457 -3.4454 -3.4336 -3.4304 -1.3765 -1.3748 -1.3184 -1.3084 -1.2668 -1.2643 1.6424 1.6518 3.9075 3.9108 4.2789 4.3744 4.8802 4.9783 5.1183 5.2348 5.6448 5.6847 5.7814 5.9149 9.1742 9.2007 10.1631 10.1808 12.4677 12.4853 13.3959 13.4950 14.2850 14.4413 k = 0.5000 0.2038 0.3242 ( 8360 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4453 -3.4450 -3.4339 -3.4313 -1.3766 -1.3747 -1.3180 -1.3094 -1.2670 -1.2650 1.6231 1.6314 3.9055 3.9080 4.2880 4.3750 4.8821 4.9713 5.1156 5.2198 5.6411 5.6707 5.7881 5.9028 9.3202 9.3463 10.2781 10.2974 12.4216 12.4430 13.3343 13.4292 14.0980 14.2370 k = 0.5000 0.2123 0.3122 ( 8360 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4449 -3.4447 -3.4343 -3.4321 -1.3766 -1.3746 -1.3177 -1.3104 -1.2671 -1.2656 1.6053 1.6126 3.9036 3.9055 4.2971 4.3757 4.8829 4.9637 5.1142 5.2061 5.6368 5.6581 5.7945 5.8924 9.4659 9.4920 10.3930 10.4133 12.3726 12.3977 13.2737 13.3620 13.9182 14.0409 k = 0.5000 0.2208 0.3002 ( 8368 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4445 -3.4443 -3.4347 -3.4330 -1.3766 -1.3746 -1.3175 -1.3113 -1.2672 -1.2662 1.5892 1.5954 3.9019 3.9032 4.3060 4.3763 4.8830 4.9555 5.1140 5.1938 5.6322 5.6469 5.8008 5.8835 9.6095 9.6360 10.5078 10.5282 12.3194 12.3478 13.2148 13.2940 13.7489 13.8554 k = 0.5000 0.2292 0.2882 ( 8374 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4441 -3.4438 -3.4351 -3.4338 -1.3766 -1.3746 -1.3172 -1.3121 -1.2674 -1.2666 1.5748 1.5801 3.9003 3.9012 4.3148 4.3767 4.8826 4.9470 5.1147 5.1827 5.6274 5.6371 5.8067 5.8759 9.7493 9.7760 10.6226 10.6423 12.2601 12.2909 13.1584 13.2257 13.5939 13.6834 k = 0.5000 0.2377 0.2762 ( 8368 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4436 -3.4434 -3.4356 -3.4345 -1.3766 -1.3746 -1.3170 -1.3128 -1.2675 -1.2670 1.5622 1.5667 3.8988 3.8995 4.3232 4.3767 4.8823 4.9383 5.1162 5.1729 5.6228 5.6288 5.8123 5.8694 9.8826 9.9092 10.7377 10.7558 12.1928 12.2243 13.1054 13.1584 13.4567 13.5282 k = 0.5000 0.2462 0.2642 ( 8366 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4431 -3.4430 -3.4361 -3.4353 -1.3765 -1.3747 -1.3168 -1.3135 -1.2677 -1.2674 1.5515 1.5551 3.8976 3.8980 4.3314 4.3763 4.8822 4.9297 5.1182 5.1643 5.6185 5.6219 5.8176 5.8636 10.0063 10.0318 10.8537 10.8692 12.1157 12.1459 13.0569 13.0943 13.3404 13.3932 k = 0.5000 0.2547 0.2522 ( 8360 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4426 -3.4425 -3.4366 -3.4360 -1.3763 -1.3749 -1.3166 -1.3140 -1.2678 -1.2676 1.5427 1.5456 3.8966 3.8967 4.3390 4.3752 4.8826 4.9213 5.1208 5.1568 5.6146 5.6164 5.8227 5.8585 10.1165 10.1398 10.9708 10.9829 12.0280 12.0548 13.0143 13.0368 13.2463 13.2817 k = 0.5000 0.2632 0.2401 ( 8366 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4421 -3.4421 -3.4370 -3.4366 -1.3762 -1.3750 -1.3164 -1.3145 -1.2679 -1.2678 1.5359 1.5380 3.8957 3.8958 4.3461 4.3734 4.8839 4.9133 5.1237 5.1502 5.6114 5.6122 5.8275 5.8538 10.2091 10.2286 11.0884 11.0965 11.9309 11.9528 12.9788 12.9895 13.1739 13.1956 k = 0.5000 0.2717 0.2281 ( 8370 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4417 -3.4417 -3.4374 -3.4371 -1.3760 -1.3752 -1.3162 -1.3149 -1.2680 -1.2679 1.5311 1.5325 3.8951 3.8951 4.3526 4.3709 4.8862 4.9060 5.1270 5.1444 5.6090 5.6092 5.8321 5.8494 10.2799 10.2942 11.2028 11.2070 11.8298 11.8458 12.9517 12.9551 13.1227 13.1351 k = 0.5000 0.2802 0.2161 ( 8388 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4415 -3.4415 -3.4377 -3.4375 -1.3758 -1.3754 -1.3159 -1.3153 -1.2680 -1.2680 1.5283 1.5290 3.8947 3.8947 4.3583 4.3675 4.8896 4.8995 5.1307 5.1393 5.6075 5.6075 5.8365 5.8451 10.3257 10.3332 11.3016 11.3025 11.7398 11.7488 12.9344 12.9348 13.0928 13.0988 k = 0.5000 0.2887 0.2041 ( 8388 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4414 -3.4414 -3.4377 -3.4377 -1.3756 -1.3756 -1.3156 -1.3156 -1.2680 -1.2680 1.5276 1.5276 3.8946 3.8946 4.3633 4.3633 4.8940 4.8940 5.1348 5.1348 5.6070 5.6070 5.8408 5.8408 10.3438 10.3438 11.3468 11.3468 11.7004 11.7004 12.9282 12.9282 13.0848 13.0848 k = 0.5000 0.2887 0.2041 ( 8388 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4414 -3.4414 -3.4377 -3.4377 -1.3756 -1.3756 -1.3156 -1.3156 -1.2680 -1.2680 1.5276 1.5276 3.8946 3.8946 4.3633 4.3633 4.8940 4.8940 5.1348 5.1348 5.6070 5.6070 5.8408 5.8408 10.3438 10.3438 11.3468 11.3468 11.7004 11.7004 12.9282 12.9282 13.0848 13.0848 k = 0.4958 0.2863 0.2177 ( 8388 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4415 -3.4415 -3.4377 -3.4375 -1.3758 -1.3754 -1.3159 -1.3153 -1.2680 -1.2680 1.5283 1.5290 3.8947 3.8947 4.3584 4.3675 4.8896 4.8994 5.1308 5.1392 5.6075 5.6075 5.8366 5.8450 10.3263 10.3336 11.3031 11.3039 11.7384 11.7473 12.9343 12.9344 13.0925 13.0983 k = 0.4917 0.2839 0.2313 ( 8366 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4417 -3.4417 -3.4374 -3.4372 -1.3760 -1.3752 -1.3162 -1.3149 -1.2680 -1.2679 1.5309 1.5323 3.8950 3.8952 4.3528 4.3708 4.8863 4.9057 5.1272 5.1442 5.6090 5.6091 5.8323 5.8492 10.2821 10.2961 11.2075 11.2104 11.8262 11.8417 12.9524 12.9528 13.1215 13.1329 k = 0.4875 0.2815 0.2449 ( 8362 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4421 -3.4421 -3.4370 -3.4366 -1.3762 -1.3750 -1.3164 -1.3145 -1.2679 -1.2678 1.5356 1.5376 3.8955 3.8959 4.3465 4.3733 4.8841 4.9129 5.1239 5.1499 5.6116 5.6116 5.8278 5.8535 10.2136 10.2328 11.0967 11.1015 11.9253 11.9458 12.9824 12.9842 13.1719 13.1885 k = 0.4833 0.2791 0.2586 ( 8362 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4426 -3.4425 -3.4366 -3.4360 -1.3763 -1.3749 -1.3166 -1.3141 -1.2678 -1.2676 1.5421 1.5449 3.8961 3.8970 4.3396 4.3751 4.8828 4.9205 5.1211 5.1562 5.6151 5.6152 5.8231 5.8581 10.1238 10.1467 10.9837 10.9893 12.0198 12.0440 13.0252 13.0298 13.2430 13.2640 k = 0.4792 0.2766 0.2722 ( 8371 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4431 -3.4429 -3.4361 -3.4354 -1.3765 -1.3747 -1.3168 -1.3135 -1.2677 -1.2673 1.5506 1.5541 3.8968 3.8985 4.3321 4.3762 4.8825 4.9285 5.1188 5.1634 5.6197 5.6197 5.8181 5.8632 10.0165 10.0415 10.8723 10.8776 12.1027 12.1289 13.0821 13.0913 13.3328 13.3576 k = 0.4750 0.2742 0.2858 ( 8365 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4436 -3.4433 -3.4356 -3.4347 -1.3765 -1.3746 -1.3170 -1.3129 -1.2677 -1.2669 1.5609 1.5653 3.8975 3.9005 4.3242 4.3767 4.8830 4.9363 5.1171 5.1715 5.6250 5.6252 5.8129 5.8687 9.8953 9.9213 10.7634 10.7676 12.1705 12.1969 13.1540 13.1694 13.4387 13.4670 k = 0.4708 0.2718 0.2994 ( 8365 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4440 -3.4437 -3.4351 -3.4339 -1.3766 -1.3746 -1.3172 -1.3122 -1.2676 -1.2665 1.5731 1.5783 3.8982 3.9029 4.3159 4.3767 4.8842 4.9435 5.1165 5.1806 5.6310 5.6317 5.8074 5.8751 9.7639 9.7900 10.6569 10.6594 12.2224 12.2477 13.2404 13.2633 13.5580 13.5895 k = 0.4667 0.2694 0.3130 ( 8373 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4445 -3.4441 -3.4347 -3.4332 -1.3766 -1.3746 -1.3174 -1.3115 -1.2676 -1.2659 1.5870 1.5930 3.8987 3.9057 4.3073 4.3764 4.8861 4.9495 5.1174 5.1906 5.6375 5.6391 5.8016 5.8825 9.6251 9.6510 10.5524 10.5530 12.2597 12.2831 13.3398 13.3706 13.6877 13.7221 k = 0.4625 0.2670 0.3266 ( 8377 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4450 -3.4445 -3.4342 -3.4324 -1.3766 -1.3746 -1.3176 -1.3107 -1.2676 -1.2652 1.6026 1.6095 3.8992 3.9091 4.2986 4.3758 4.8884 4.9537 5.1201 5.2016 5.6442 5.6474 5.7956 5.8912 9.4815 9.5072 10.4480 10.4494 12.2848 12.3058 13.4497 13.4885 13.8248 13.8619 k = 0.4583 0.2646 0.3402 ( 8379 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4455 -3.4448 -3.4338 -3.4316 -1.3766 -1.3747 -1.3179 -1.3098 -1.2676 -1.2645 1.6197 1.6277 3.8994 3.9131 4.2897 4.3751 4.8910 4.9556 5.1251 5.2135 5.6509 5.6567 5.7893 5.9013 9.3350 9.3607 10.3445 10.3477 12.3003 12.3189 13.5679 13.6145 13.9664 14.0054 k = 0.4542 0.2622 0.3538 ( 8378 PWs) bands (ev): -37.3961 -37.3961 -36.9490 -36.9490 -3.4459 -3.4451 -3.4334 -3.4309 -1.3765 -1.3748 -1.3181 -1.3088 -1.2677 -1.2636 1.6384 1.6474 3.8994 3.9176 4.2807 4.3745 4.8940 4.9548 5.1328 5.2263 5.6573 5.6667 5.7829 5.9133 9.1873 9.2133 10.2425 10.2474 12.3084 12.3247 13.6922 13.7464 14.1098 14.1494 k = 0.4500 0.2598 0.3674 ( 8370 PWs) bands (ev): -37.3961 -37.3960 -36.9490 -36.9490 -3.4463 -3.4453 -3.4330 -3.4301 -1.3763 -1.3749 -1.3184 -1.3077 -1.2678 -1.2626 1.6584 1.6685 3.8990 3.9227 4.2717 4.3741 4.8972 4.9513 5.1430 5.2398 5.6631 5.6774 5.7765 5.9273 9.0396 9.0664 10.1419 10.1484 12.3112 12.3253 13.8206 13.8825 14.2522 14.2906 k = 0.4458 0.2574 0.3810 ( 8378 PWs) bands (ev): -37.3961 -37.3960 -36.9491 -36.9490 -3.4467 -3.4455 -3.4327 -3.4293 -1.3762 -1.3752 -1.3187 -1.3066 -1.2679 -1.2616 1.6798 1.6909 3.8983 3.9284 4.2627 4.3740 4.9005 4.9452 5.1557 5.2540 5.6682 5.6882 5.7705 5.9434 8.8930 8.9212 10.0429 10.0508 12.3100 12.3221 13.9516 14.0212 14.3909 14.4255 k = 0.4417 0.2550 0.3946 ( 8376 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9490 -3.4470 -3.4457 -3.4324 -3.4286 -1.3760 -1.3754 -1.3190 -1.3054 -1.2681 -1.2605 1.7022 1.7145 3.8973 3.9347 4.2537 4.3743 4.9040 4.9367 5.1705 5.2687 5.6723 5.6984 5.7658 5.9616 8.7485 8.7788 9.9456 9.9547 12.3059 12.3162 14.0831 14.1606 14.5234 14.5512 k = 0.4375 0.2526 0.4082 ( 8380 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9490 -3.4473 -3.4459 -3.4321 -3.4279 -1.3758 -1.3757 -1.3194 -1.3042 -1.2683 -1.2593 1.7257 1.7391 3.8957 3.9416 4.2448 4.3751 4.9074 4.9262 5.1871 5.2839 5.6755 5.7062 5.7638 5.9820 8.6068 8.6399 9.8502 9.8604 12.2999 12.3084 14.2127 14.2983 14.6474 14.6656 k = 0.4333 0.2502 0.4219 ( 8382 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9490 -3.4476 -3.4460 -3.4319 -3.4272 -1.3760 -1.3755 -1.3197 -1.3029 -1.2685 -1.2581 1.7499 1.7646 3.8937 3.9491 4.2361 4.3766 4.9109 4.9139 5.2053 5.2994 5.6775 5.7093 5.7669 6.0043 8.4688 8.5054 9.7568 9.7679 12.2926 12.2995 14.3366 14.4293 14.7616 14.7695 k = 0.4292 0.2478 0.4355 ( 8386 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4479 -3.4460 -3.4317 -3.4265 -1.3764 -1.3753 -1.3200 -1.3015 -1.2688 -1.2568 1.7748 1.7907 3.8913 3.9573 4.2274 4.3788 4.9002 4.9143 5.2249 5.3152 5.6785 5.7069 5.7755 6.0283 8.3350 8.3761 9.6655 9.6774 12.2843 12.2897 14.4487 14.5449 14.8670 14.8683 k = 0.4250 0.2454 0.4491 ( 8387 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4481 -3.4461 -3.4315 -3.4259 -1.3767 -1.3750 -1.3204 -1.3002 -1.2691 -1.2555 1.8002 1.8173 3.8883 3.9660 4.2189 4.3817 4.8853 4.9176 5.2457 5.3312 5.6785 5.7007 5.7879 6.0535 8.2063 8.2528 9.5766 9.5892 12.2757 12.2796 14.5399 14.6316 14.9689 14.9737 k = 0.4208 0.2430 0.4627 ( 8375 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4483 -3.4461 -3.4314 -3.4253 -1.3771 -1.3747 -1.3208 -1.2988 -1.2694 -1.2543 1.8257 1.8441 3.8848 3.9752 4.2105 4.3854 4.8695 4.9206 5.2676 5.3475 5.6777 5.6922 5.8021 6.0795 8.0835 8.1364 9.4903 9.5033 12.2668 12.2693 14.6006 14.6797 15.0758 15.0958 k = 0.4167 0.2406 0.4763 ( 8381 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4484 -3.4461 -3.4314 -3.4247 -1.3775 -1.3744 -1.3211 -1.2974 -1.2697 -1.2530 1.8513 1.8708 3.8808 3.9849 4.2024 4.3899 4.8529 4.9232 5.2904 5.3640 5.6760 5.6824 5.8168 6.1057 7.9673 8.0275 9.4066 9.4200 12.2581 12.2592 14.6262 14.6911 15.1934 15.2344 k = 0.4125 0.2382 0.4899 ( 8375 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4485 -3.4460 -3.4313 -3.4242 -1.3779 -1.3742 -1.3214 -1.2960 -1.2700 -1.2517 1.8766 1.8973 3.8764 3.9949 4.1943 4.3952 4.8359 4.9253 5.3141 5.3809 5.6717 5.6736 5.8313 6.1314 7.8587 7.9272 9.3258 9.3394 12.2494 12.2496 14.6199 14.6740 15.3218 15.3843 k = 0.4083 0.2358 0.5035 ( 8379 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4486 -3.4459 -3.4314 -3.4237 -1.3782 -1.3739 -1.3218 -1.2946 -1.2703 -1.2505 1.9014 1.9232 3.8715 4.0050 4.1866 4.4012 4.8186 4.9267 5.3387 5.3982 5.6604 5.6707 5.8448 6.1557 7.7587 7.8361 9.2480 9.2618 12.2400 12.2414 14.5886 14.6360 15.4580 15.5412 k = 0.4042 0.2333 0.5171 ( 8383 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4486 -3.4458 -3.4314 -3.4233 -1.3786 -1.3736 -1.3221 -1.2933 -1.2705 -1.2494 1.9254 1.9482 3.8662 4.0150 4.1791 4.4080 4.8015 4.9271 5.3642 5.4163 5.6488 5.6672 5.8568 6.1777 7.6685 7.7552 9.1735 9.1872 12.2312 12.2339 14.5392 14.5828 15.5983 15.7023 k = 0.4000 0.2309 0.5307 ( 8385 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4487 -3.4457 -3.4315 -3.4229 -1.3789 -1.3734 -1.3223 -1.2921 -1.2706 -1.2483 1.9483 1.9721 3.8605 4.0246 4.1721 4.4152 4.7848 4.9263 5.3904 5.4351 5.6371 5.6634 5.8667 6.1964 7.5891 7.6850 9.1024 9.1158 12.2230 12.2269 14.4770 14.5185 15.7398 15.8660 k = 0.3958 0.2285 0.5443 ( 8379 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4487 -3.4455 -3.4316 -3.4226 -1.3792 -1.3732 -1.3226 -1.2911 -1.2707 -1.2474 1.9697 1.9944 3.8545 4.0332 4.1656 4.4229 4.7689 4.9240 5.4174 5.4550 5.6254 5.6594 5.8742 6.2106 7.5219 7.6264 9.0348 9.0479 12.2156 12.2207 14.4058 14.4463 15.8797 16.0307 k = 0.3917 0.2261 0.5579 ( 8389 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4486 -3.4453 -3.4318 -3.4223 -1.3795 -1.3730 -1.3228 -1.2902 -1.2706 -1.2465 1.9895 2.0148 3.8482 4.0403 4.1601 4.4309 4.7543 4.9202 5.4449 5.4761 5.6140 5.6554 5.8791 6.2193 7.4681 7.5796 8.9710 8.9836 12.2089 12.2152 14.3285 14.3685 16.0149 16.1946 k = 0.3875 0.2237 0.5715 ( 8383 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4486 -3.4451 -3.4320 -3.4221 -1.3798 -1.3729 -1.3229 -1.2895 -1.2703 -1.2457 2.0071 2.0331 3.8418 4.0450 4.1560 4.4388 4.7413 4.9145 5.4727 5.4985 5.6034 5.6517 5.8813 6.2219 7.4284 7.5449 8.9112 8.9231 12.2031 12.2105 14.2471 14.2869 16.1423 16.3549 k = 0.3833 0.2213 0.5852 ( 8378 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4485 -3.4449 -3.4322 -3.4219 -1.3800 -1.3728 -1.3230 -1.2890 -1.2699 -1.2450 2.0224 2.0488 3.8352 4.0468 4.1534 4.4463 4.7305 4.9070 5.5004 5.5219 5.5941 5.6488 5.8811 6.2180 7.4034 7.5223 8.8556 8.8665 12.1982 12.2068 14.1630 14.2028 16.2577 16.5061 k = 0.3792 0.2189 0.5988 ( 8378 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4484 -3.4447 -3.4324 -3.4218 -1.3802 -1.3728 -1.3231 -1.2888 -1.2692 -1.2445 2.0350 2.0617 3.8286 4.0451 4.1527 4.4532 4.7223 4.8978 5.5267 5.5441 5.5887 5.6479 5.8790 6.2081 7.3928 7.5113 8.8043 8.8141 12.1941 12.2039 14.0775 14.1172 16.3569 16.6370 k = 0.3750 0.2165 0.6124 ( 8394 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4483 -3.4445 -3.4327 -3.4217 -1.3804 -1.3729 -1.3231 -1.2888 -1.2685 -1.2441 2.0445 2.0714 3.8220 4.0399 4.1534 4.4589 4.7170 4.8871 5.5496 5.5558 5.5965 5.6509 5.8759 6.1933 7.3958 7.5115 8.7576 8.7661 12.1910 12.2019 13.9913 14.0310 16.4358 16.7285 k = 0.6250-0.0722 0.4082 ( 8394 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4483 -3.4445 -3.4327 -3.4217 -1.3804 -1.3729 -1.3231 -1.2888 -1.2685 -1.2441 2.0445 2.0714 3.8220 4.0399 4.1534 4.4589 4.7170 4.8871 5.5496 5.5558 5.5965 5.6509 5.8759 6.1933 7.3958 7.5115 8.7576 8.7661 12.1910 12.2019 13.9913 14.0310 16.4358 16.7285 k = 0.6176-0.0849 0.4082 ( 8390 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4480 -3.4441 -3.4331 -3.4217 -1.3807 -1.3730 -1.3230 -1.2890 -1.2669 -1.2435 2.0576 2.0846 3.8105 4.0241 4.1588 4.4668 4.7112 4.8670 5.5584 5.5826 5.6309 5.6640 5.8717 6.1639 7.4156 7.5242 8.6810 8.6868 12.1863 12.1994 13.8382 13.8778 16.5561 16.8446 k = 0.6103-0.0976 0.4082 ( 8390 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4478 -3.4436 -3.4336 -3.4217 -1.3809 -1.3732 -1.3228 -1.2894 -1.2652 -1.2429 2.0691 2.0959 3.7989 4.0027 4.1688 4.4734 4.7065 4.8463 5.5601 5.6082 5.6661 5.6847 5.8708 6.1352 7.4412 7.5426 8.6082 8.6111 12.1816 12.1968 13.6847 13.7242 16.6770 16.9604 k = 0.6029-0.1104 0.4082 ( 8390 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4475 -3.4432 -3.4340 -3.4218 -1.3811 -1.3734 -1.3225 -1.2901 -1.2634 -1.2423 2.0791 2.1054 3.7876 3.9783 4.1816 4.4787 4.7027 4.8256 5.5626 5.6254 5.6990 5.7133 5.8735 6.1072 7.4719 7.5665 8.5389 8.5394 12.1767 12.1944 13.5322 13.5716 16.7983 17.0753 k = 0.5956-0.1231 0.4082 ( 8386 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4473 -3.4427 -3.4344 -3.4220 -1.3812 -1.3737 -1.3221 -1.2909 -1.2616 -1.2418 2.0877 2.1134 3.7766 3.9525 4.1962 4.4828 4.6994 4.8052 5.5663 5.6371 5.7275 5.7461 5.8804 6.0803 7.5072 7.5955 8.4706 8.4746 12.1716 12.1919 13.3822 13.4217 16.9194 17.1888 k = 0.5882-0.1358 0.4082 ( 8372 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4470 -3.4421 -3.4348 -3.4223 -1.3813 -1.3740 -1.3217 -1.2918 -1.2598 -1.2414 2.0951 2.1200 3.7660 3.9264 4.2119 4.4858 4.6963 4.7854 5.5710 5.6461 5.7502 5.7797 5.8922 6.0548 7.5462 7.6290 8.4061 8.4142 12.1663 12.1893 13.2359 13.2758 17.0399 17.3003 k = 0.5809-0.1486 0.4082 ( 8372 PWs) bands (ev): -37.3960 -37.3960 -36.9491 -36.9491 -3.4467 -3.4416 -3.4351 -3.4226 -1.3813 -1.3743 -1.3211 -1.2929 -1.2579 -1.2410 2.1014 2.1252 3.7560 3.9007 4.2283 4.4878 4.6933 4.7664 5.5768 5.6536 5.7666 5.8117 5.9086 6.0311 7.5880 7.6663 8.3458 8.3583 12.1604 12.1864 13.0948 13.1355 17.1592 17.4091 k = 0.5735-0.1613 0.4082 ( 8360 PWs) bands (ev): -37.3960 -37.3959 -36.9491 -36.9491 -3.4464 -3.4412 -3.4353 -3.4230 -1.3813 -1.3747 -1.3204 -1.2941 -1.2561 -1.2407 2.1068 2.1293 3.7468 3.8760 4.2452 4.4885 4.6902 4.7486 5.5835 5.6603 5.7779 5.8406 5.9281 6.0102 7.6317 7.7065 8.2897 8.3073 12.1539 12.1833 12.9602 13.0021 17.2765 17.5142 k = 0.5662-0.1741 0.4082 ( 8356 PWs) bands (ev): -37.3960 -37.3959 -36.9491 -36.9491 -3.4461 -3.4409 -3.4354 -3.4235 -1.3812 -1.3750 -1.3196 -1.2954 -1.2544 -1.2404 2.1114 2.1324 3.7384 3.8526 4.2625 4.4881 4.6871 4.7320 5.5911 5.6663 5.7853 5.8644 5.9489 5.9934 7.6761 7.7486 8.2381 8.2613 12.1466 12.1795 12.8337 12.8771 17.3910 17.6149 k = 0.5588-0.1868 0.4082 ( 8352 PWs) bands (ev): -37.3960 -37.3959 -36.9491 -36.9491 -3.4458 -3.4406 -3.4354 -3.4241 -1.3810 -1.3754 -1.3188 -1.2968 -1.2527 -1.2403 2.1153 2.1346 3.7311 3.8307 4.2799 4.4863 4.6840 4.7170 5.5994 5.6715 5.7905 5.8799 5.9693 5.9837 7.7200 7.7914 8.1913 8.2208 12.1380 12.1746 12.7169 12.7622 17.5018 17.7098 k = 0.5515-0.1995 0.4082 ( 8350 PWs) bands (ev): -37.3959 -37.3959 -36.9491 -36.9491 -3.4455 -3.4406 -3.4351 -3.4247 -1.3809 -1.3758 -1.3178 -1.2982 -1.2511 -1.2402 2.1187 2.1360 3.7249 3.8105 4.2975 4.4831 4.6807 4.7038 5.6082 5.6759 5.7943 5.8842 5.9839 5.9882 7.7619 7.8335 8.1495 8.1859 12.1280 12.1680 12.6118 12.6590 17.6077 17.7978 k = 0.5441-0.2123 0.4082 ( 8340 PWs) bands (ev): -37.3959 -37.3959 -36.9491 -36.9491 -3.4451 -3.4407 -3.4346 -3.4253 -1.3806 -1.3763 -1.3168 -1.2997 -1.2496 -1.2402 2.1216 2.1367 3.7200 3.7921 4.3150 4.4782 4.6775 4.6924 5.6174 5.6793 5.7974 5.8788 5.9925 6.0048 7.8005 7.8732 8.1134 8.1570 12.1161 12.1588 12.5207 12.5690 17.7072 17.8772 k = 0.5368-0.2250 0.4082 ( 8332 PWs) bands (ev): -37.3959 -37.3959 -36.9491 -36.9491 -3.4448 -3.4410 -3.4340 -3.4260 -1.3804 -1.3767 -1.3157 -1.3012 -1.2482 -1.2404 2.1241 2.1370 3.7164 3.7757 4.3325 4.4716 4.6744 4.6831 5.6269 5.6815 5.8002 5.8686 6.0046 6.0189 7.8346 7.9082 8.0838 8.1340 12.1024 12.1457 12.4460 12.4937 17.7990 17.9464 k = 0.5294-0.2377 0.4082 ( 8336 PWs) bands (ev): -37.3959 -37.3959 -36.9491 -36.9491 -3.4444 -3.4413 -3.4333 -3.4268 -1.3801 -1.3771 -1.3144 -1.3028 -1.2469 -1.2406 2.1263 2.1368 3.7144 3.7612 4.3498 4.4632 4.6715 4.6758 5.6364 5.6824 5.8030 5.8571 6.0169 6.0302 7.8633 7.9352 8.0630 8.1168 12.0875 12.1279 12.3899 12.4336 17.8812 18.0033 k = 0.5221-0.2505 0.4082 ( 8338 PWs) bands (ev): -37.3959 -37.3959 -36.9491 -36.9491 -3.4440 -3.4416 -3.4325 -3.4275 -1.3798 -1.3775 -1.3132 -1.3043 -1.2457 -1.2410 2.1282 2.1362 3.7139 3.7486 4.3667 4.4532 4.6689 4.6705 5.6458 5.6817 5.8061 5.8458 6.0278 6.0385 7.8863 7.9497 8.0543 8.1044 12.0730 12.1064 12.3526 12.3883 17.9518 18.0463 k = 0.5147-0.2632 0.4082 ( 8342 PWs) bands (ev): -37.3959 -37.3959 -36.9491 -36.9491 -3.4436 -3.4420 -3.4317 -3.4283 -1.3794 -1.3779 -1.3118 -1.3059 -1.2446 -1.2414 2.1300 2.1354 3.7151 3.7381 4.3833 4.4416 4.6668 4.6671 5.6546 5.6794 5.8098 5.8358 6.0364 6.0440 7.9045 7.9503 8.0581 8.0952 12.0613 12.0848 12.3315 12.3564 18.0090 18.0734 k = 0.5074-0.2759 0.4082 ( 8336 PWs) bands (ev): -37.3959 -37.3959 -36.9491 -36.9491 -3.4432 -3.4424 -3.4309 -3.4292 -1.3791 -1.3783 -1.3104 -1.3074 -1.2436 -1.2420 2.1316 2.1343 3.7181 3.7295 4.3992 4.4285 4.6652 4.6653 5.6627 5.6754 5.8144 5.8272 6.0426 6.0464 7.9191 7.9426 8.0680 8.0871 12.0554 12.0673 12.3231 12.3357 18.0508 18.0836 k = 0.5000-0.2887 0.4082 ( 8336 PWs) bands (ev): -37.3959 -37.3959 -36.9491 -36.9491 -3.4428 -3.4428 -3.4300 -3.4300 -1.3787 -1.3787 -1.3089 -1.3089 -1.2428 -1.2428 2.1330 2.1330 3.7229 3.7229 4.4143 4.4143 4.6647 4.6647 5.6697 5.6697 5.8201 5.8201 6.0459 6.0459 7.9316 7.9316 8.0783 8.0783 12.0571 12.0571 12.3248 12.3248 18.0760 18.0760 Writing output data file Li2TlAu.save init_run : 0.92s CPU 0.54s WALL ( 1 calls) electrons : 356.73s CPU 238.95s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.10s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 356.72s CPU 238.94s 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 : 0.22s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.53s CPU 0.60s WALL ( 320 calls) cegterg : 310.64s CPU 211.82s WALL ( 606 calls) Called by sum_band: Called by *egterg: h_psi : 249.36s CPU 151.07s WALL ( 10260 calls) s_psi : 8.20s CPU 5.78s WALL ( 10260 calls) g_psi : 0.54s CPU 0.42s WALL ( 9334 calls) cdiaghg : 58.73s CPU 49.75s WALL ( 9654 calls) cegterg:over : 11.15s CPU 8.71s WALL ( 9334 calls) cegterg:upda : 11.22s CPU 9.07s WALL ( 9334 calls) cegterg:last : 4.80s CPU 3.99s WALL ( 1564 calls) cdiaghg:chol : 3.62s CPU 2.99s WALL ( 9654 calls) cdiaghg:inve : 1.45s CPU 1.29s WALL ( 9654 calls) cdiaghg:para : 3.35s CPU 2.88s WALL ( 19308 calls) Called by h_psi: h_psi:vloc : 231.24s CPU 138.18s WALL ( 10260 calls) h_psi:vnl : 17.51s CPU 12.47s WALL ( 10260 calls) add_vuspsi : 9.01s CPU 6.38s WALL ( 10260 calls) General routines calbec : 8.43s CPU 6.06s WALL ( 10260 calls) fft : 0.04s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 219.58s CPU 130.21s WALL ( 702204 calls) interpolate : 0.01s CPU 0.00s WALL ( 4 calls) davcio : 0.36s CPU 1.30s WALL ( 640 calls) Parallel routines fft_scatter : 75.51s CPU 51.53s WALL ( 702227 calls) PWSCF : 6m17.07s CPU 4m30.13s WALL This run was terminated on: 6:17:25 11Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=