Program PWSCF v.5.4.0 starts on 10Feb2017 at 21:48:33 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: ./Li2AgSb.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 61 61 16 1886 1886 271 Max 62 62 17 1889 1889 277 Sum 2209 2209 595 67937 67937 9841 bravais-lattice index = 14 lattice parameter (alat) = 8.7965 a.u. unit-cell volume = 481.2914 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 22.00 number of Kohn-Sham states= 30 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.796455 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Li 3.00 6.94100 Li( 1.00) Sb 5.00 121.76000 Sb( 1.00) Ag 11.00 107.86820 Ag( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 2 3 120 deg rotation - cryst. axis [0,0,1] -2C3 -2 -3 120 deg rotation - cryst. axis [0,0,1] E 3s_v 4 5 -6 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 6 -4 -5 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 320 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 2) = ( 0.0104167 -0.0060141 0.0085052), wk = 0.0031250 k( 3) = ( 0.0208333 -0.0120281 0.0170103), wk = 0.0031250 k( 4) = ( 0.0312500 -0.0180422 0.0255155), wk = 0.0031250 k( 5) = ( 0.0416667 -0.0240563 0.0340207), wk = 0.0031250 k( 6) = ( 0.0520833 -0.0300703 0.0425259), wk = 0.0031250 k( 7) = ( 0.0625000 -0.0360844 0.0510310), wk = 0.0031250 k( 8) = ( 0.0729167 -0.0420985 0.0595362), wk = 0.0031250 k( 9) = ( 0.0833333 -0.0481125 0.0680414), wk = 0.0031250 k( 10) = ( 0.0937500 -0.0541266 0.0765466), wk = 0.0031250 k( 11) = ( 0.1041667 -0.0601407 0.0850517), wk = 0.0031250 k( 12) = ( 0.1145833 -0.0661547 0.0935569), wk = 0.0031250 k( 13) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0031250 k( 14) = ( 0.1354167 -0.0781829 0.1105672), wk = 0.0031250 k( 15) = ( 0.1458333 -0.0841969 0.1190724), wk = 0.0031250 k( 16) = ( 0.1562500 -0.0902110 0.1275776), wk = 0.0031250 k( 17) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0031250 k( 18) = ( 0.1770833 -0.1022391 0.1445879), wk = 0.0031250 k( 19) = ( 0.1875000 -0.1082532 0.1530931), wk = 0.0031250 k( 20) = ( 0.1979167 -0.1142672 0.1615983), wk = 0.0031250 k( 21) = ( 0.2083333 -0.1202813 0.1701035), wk = 0.0031250 k( 22) = ( 0.2187500 -0.1262954 0.1786086), wk = 0.0031250 k( 23) = ( 0.2291667 -0.1323094 0.1871138), wk = 0.0031250 k( 24) = ( 0.2395833 -0.1383235 0.1956190), wk = 0.0031250 k( 25) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0031250 k( 26) = ( 0.2604167 -0.1503516 0.2126293), wk = 0.0031250 k( 27) = ( 0.2708333 -0.1563657 0.2211345), wk = 0.0031250 k( 28) = ( 0.2812500 -0.1623798 0.2296397), wk = 0.0031250 k( 29) = ( 0.2916667 -0.1683938 0.2381448), wk = 0.0031250 k( 30) = ( 0.3020833 -0.1744079 0.2466500), wk = 0.0031250 k( 31) = ( 0.3125000 -0.1804220 0.2551552), wk = 0.0031250 k( 32) = ( 0.3229167 -0.1864360 0.2636604), wk = 0.0031250 k( 33) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0031250 k( 34) = ( 0.3437500 -0.1984642 0.2806707), wk = 0.0031250 k( 35) = ( 0.3541667 -0.2044782 0.2891759), wk = 0.0031250 k( 36) = ( 0.3645833 -0.2104923 0.2976810), wk = 0.0031250 k( 37) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0031250 k( 38) = ( 0.3854167 -0.2225204 0.3146914), wk = 0.0031250 k( 39) = ( 0.3958333 -0.2285345 0.3231966), wk = 0.0031250 k( 40) = ( 0.4062500 -0.2345485 0.3317017), wk = 0.0031250 k( 41) = ( 0.4166667 -0.2405626 0.3402069), wk = 0.0031250 k( 42) = ( 0.4270833 -0.2465767 0.3487121), wk = 0.0031250 k( 43) = ( 0.4375000 -0.2525907 0.3572173), wk = 0.0031250 k( 44) = ( 0.4479167 -0.2586048 0.3657224), wk = 0.0031250 k( 45) = ( 0.4583333 -0.2646189 0.3742276), wk = 0.0031250 k( 46) = ( 0.4687500 -0.2706329 0.3827328), wk = 0.0031250 k( 47) = ( 0.4791667 -0.2766470 0.3912379), wk = 0.0031250 k( 48) = ( 0.4895833 -0.2826611 0.3997431), wk = 0.0031250 k( 49) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031250 k( 50) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031250 k( 51) = ( 0.5000000 -0.2766470 0.4167535), wk = 0.0031250 k( 52) = ( 0.5000000 -0.2646189 0.4252586), wk = 0.0031250 k( 53) = ( 0.5000000 -0.2525907 0.4337638), wk = 0.0031250 k( 54) = ( 0.5000000 -0.2405626 0.4422690), wk = 0.0031250 k( 55) = ( 0.5000000 -0.2285345 0.4507742), wk = 0.0031250 k( 56) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0031250 k( 57) = ( 0.5000000 -0.2044782 0.4677845), wk = 0.0031250 k( 58) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0031250 k( 59) = ( 0.5000000 -0.1804220 0.4847948), wk = 0.0031250 k( 60) = ( 0.5000000 -0.1683938 0.4933000), wk = 0.0031250 k( 61) = ( 0.5000000 -0.1563657 0.5018052), wk = 0.0031250 k( 62) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0031250 k( 63) = ( 0.5000000 -0.1323094 0.5188155), wk = 0.0031250 k( 64) = ( 0.5000000 -0.1202813 0.5273207), wk = 0.0031250 k( 65) = ( 0.5000000 -0.1082532 0.5358259), wk = 0.0031250 k( 66) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0031250 k( 67) = ( 0.5000000 -0.0841969 0.5528362), wk = 0.0031250 k( 68) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0031250 k( 69) = ( 0.5000000 -0.0601406 0.5698466), wk = 0.0031250 k( 70) = ( 0.5000000 -0.0481125 0.5783517), wk = 0.0031250 k( 71) = ( 0.5000000 -0.0360844 0.5868569), wk = 0.0031250 k( 72) = ( 0.5000000 -0.0240563 0.5953621), wk = 0.0031250 k( 73) = ( 0.5000000 -0.0120281 0.6038673), wk = 0.0031250 k( 74) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0031250 k( 75) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0031250 k( 76) = ( 0.4926471 0.0127357 0.6123724), wk = 0.0031250 k( 77) = ( 0.4852941 0.0254713 0.6123724), wk = 0.0031250 k( 78) = ( 0.4779412 0.0382070 0.6123724), wk = 0.0031250 k( 79) = ( 0.4705882 0.0509427 0.6123724), wk = 0.0031250 k( 80) = ( 0.4632353 0.0636783 0.6123724), wk = 0.0031250 k( 81) = ( 0.4558823 0.0764140 0.6123724), wk = 0.0031250 k( 82) = ( 0.4485294 0.0891497 0.6123724), wk = 0.0031250 k( 83) = ( 0.4411765 0.1018853 0.6123724), wk = 0.0031250 k( 84) = ( 0.4338235 0.1146210 0.6123724), wk = 0.0031250 k( 85) = ( 0.4264706 0.1273567 0.6123724), wk = 0.0031250 k( 86) = ( 0.4191177 0.1400923 0.6123724), wk = 0.0031250 k( 87) = ( 0.4117647 0.1528280 0.6123724), wk = 0.0031250 k( 88) = ( 0.4044118 0.1655637 0.6123724), wk = 0.0031250 k( 89) = ( 0.3970588 0.1782994 0.6123724), wk = 0.0031250 k( 90) = ( 0.3897059 0.1910350 0.6123724), wk = 0.0031250 k( 91) = ( 0.3823529 0.2037707 0.6123724), wk = 0.0031250 k( 92) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031250 k( 93) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031250 k( 94) = ( 0.3676471 0.2122611 0.6003651), wk = 0.0031250 k( 95) = ( 0.3602941 0.2080159 0.5883578), wk = 0.0031250 k( 96) = ( 0.3529412 0.2037707 0.5763505), wk = 0.0031250 k( 97) = ( 0.3455882 0.1995255 0.5643432), wk = 0.0031250 k( 98) = ( 0.3382353 0.1952802 0.5523359), wk = 0.0031250 k( 99) = ( 0.3308823 0.1910350 0.5403286), wk = 0.0031250 k( 100) = ( 0.3235294 0.1867898 0.5283213), wk = 0.0031250 k( 101) = ( 0.3161765 0.1825446 0.5163140), wk = 0.0031250 k( 102) = ( 0.3088235 0.1782993 0.5043067), wk = 0.0031250 k( 103) = ( 0.3014706 0.1740541 0.4922994), wk = 0.0031250 k( 104) = ( 0.2941177 0.1698089 0.4802921), wk = 0.0031250 k( 105) = ( 0.2867647 0.1655637 0.4682848), wk = 0.0031250 k( 106) = ( 0.2794118 0.1613185 0.4562775), wk = 0.0031250 k( 107) = ( 0.2720588 0.1570732 0.4442702), wk = 0.0031250 k( 108) = ( 0.2647059 0.1528280 0.4322629), wk = 0.0031250 k( 109) = ( 0.2573529 0.1485828 0.4202556), wk = 0.0031250 k( 110) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0031250 k( 111) = ( 0.2426471 0.1400923 0.3962410), wk = 0.0031250 k( 112) = ( 0.2352941 0.1358471 0.3842337), wk = 0.0031250 k( 113) = ( 0.2279412 0.1316019 0.3722264), wk = 0.0031250 k( 114) = ( 0.2205882 0.1273567 0.3602191), wk = 0.0031250 k( 115) = ( 0.2132353 0.1231115 0.3482118), wk = 0.0031250 k( 116) = ( 0.2058823 0.1188662 0.3362045), wk = 0.0031250 k( 117) = ( 0.1985294 0.1146210 0.3241972), wk = 0.0031250 k( 118) = ( 0.1911765 0.1103758 0.3121899), wk = 0.0031250 k( 119) = ( 0.1838235 0.1061306 0.3001826), wk = 0.0031250 k( 120) = ( 0.1764706 0.1018853 0.2881753), wk = 0.0031250 k( 121) = ( 0.1691177 0.0976401 0.2761680), wk = 0.0031250 k( 122) = ( 0.1617647 0.0933949 0.2641607), wk = 0.0031250 k( 123) = ( 0.1544118 0.0891497 0.2521534), wk = 0.0031250 k( 124) = ( 0.1470588 0.0849044 0.2401461), wk = 0.0031250 k( 125) = ( 0.1397059 0.0806592 0.2281387), wk = 0.0031250 k( 126) = ( 0.1323529 0.0764140 0.2161314), wk = 0.0031250 k( 127) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0031250 k( 128) = ( 0.1176471 0.0679236 0.1921168), wk = 0.0031250 k( 129) = ( 0.1102941 0.0636783 0.1801095), wk = 0.0031250 k( 130) = ( 0.1029412 0.0594331 0.1681022), wk = 0.0031250 k( 131) = ( 0.0955882 0.0551879 0.1560949), wk = 0.0031250 k( 132) = ( 0.0882353 0.0509427 0.1440876), wk = 0.0031250 k( 133) = ( 0.0808824 0.0466974 0.1320803), wk = 0.0031250 k( 134) = ( 0.0735294 0.0424522 0.1200730), wk = 0.0031250 k( 135) = ( 0.0661765 0.0382070 0.1080657), wk = 0.0031250 k( 136) = ( 0.0588235 0.0339618 0.0960584), wk = 0.0031250 k( 137) = ( 0.0514706 0.0297166 0.0840511), wk = 0.0031250 k( 138) = ( 0.0441177 0.0254713 0.0720438), wk = 0.0031250 k( 139) = ( 0.0367647 0.0212261 0.0600365), wk = 0.0031250 k( 140) = ( 0.0294118 0.0169809 0.0480292), wk = 0.0031250 k( 141) = ( 0.0220588 0.0127357 0.0360219), wk = 0.0031250 k( 142) = ( 0.0147059 0.0084904 0.0240146), wk = 0.0031250 k( 143) = ( 0.0073529 0.0042452 0.0120073), wk = 0.0031250 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 146) = ( 0.0119048 0.0068732 0.0048601), wk = 0.0031250 k( 147) = ( 0.0238095 0.0137464 0.0097202), wk = 0.0031250 k( 148) = ( 0.0357143 0.0206197 0.0145803), wk = 0.0031250 k( 149) = ( 0.0476191 0.0274929 0.0194404), wk = 0.0031250 k( 150) = ( 0.0595238 0.0343661 0.0243005), wk = 0.0031250 k( 151) = ( 0.0714286 0.0412393 0.0291606), wk = 0.0031250 k( 152) = ( 0.0833333 0.0481125 0.0340207), wk = 0.0031250 k( 153) = ( 0.0952381 0.0549857 0.0388808), wk = 0.0031250 k( 154) = ( 0.1071429 0.0618590 0.0437409), wk = 0.0031250 k( 155) = ( 0.1190476 0.0687322 0.0486010), wk = 0.0031250 k( 156) = ( 0.1309524 0.0756054 0.0534611), wk = 0.0031250 k( 157) = ( 0.1428571 0.0824786 0.0583212), wk = 0.0031250 k( 158) = ( 0.1547619 0.0893518 0.0631813), wk = 0.0031250 k( 159) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0031250 k( 160) = ( 0.1785714 0.1030983 0.0729015), wk = 0.0031250 k( 161) = ( 0.1904762 0.1099715 0.0777616), wk = 0.0031250 k( 162) = ( 0.2023810 0.1168447 0.0826217), wk = 0.0031250 k( 163) = ( 0.2142857 0.1237179 0.0874818), wk = 0.0031250 k( 164) = ( 0.2261905 0.1305911 0.0923419), wk = 0.0031250 k( 165) = ( 0.2380952 0.1374644 0.0972020), wk = 0.0031250 k( 166) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0031250 k( 167) = ( 0.2619048 0.1512108 0.1069222), wk = 0.0031250 k( 168) = ( 0.2738095 0.1580840 0.1117823), wk = 0.0031250 k( 169) = ( 0.2857143 0.1649572 0.1166424), wk = 0.0031250 k( 170) = ( 0.2976190 0.1718304 0.1215025), wk = 0.0031250 k( 171) = ( 0.3095238 0.1787037 0.1263626), wk = 0.0031250 k( 172) = ( 0.3214286 0.1855769 0.1312227), wk = 0.0031250 k( 173) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0031250 k( 174) = ( 0.3452381 0.1993233 0.1409429), wk = 0.0031250 k( 175) = ( 0.3571429 0.2061965 0.1458030), wk = 0.0031250 k( 176) = ( 0.3690476 0.2130697 0.1506631), wk = 0.0031250 k( 177) = ( 0.3809524 0.2199430 0.1555232), wk = 0.0031250 k( 178) = ( 0.3928571 0.2268162 0.1603833), wk = 0.0031250 k( 179) = ( 0.4047619 0.2336894 0.1652434), wk = 0.0031250 k( 180) = ( 0.4166667 0.2405626 0.1701035), wk = 0.0031250 k( 181) = ( 0.4285714 0.2474358 0.1749636), wk = 0.0031250 k( 182) = ( 0.4404762 0.2543090 0.1798237), wk = 0.0031250 k( 183) = ( 0.4523810 0.2611823 0.1846837), wk = 0.0031250 k( 184) = ( 0.4642857 0.2680555 0.1895438), wk = 0.0031250 k( 185) = ( 0.4761905 0.2749287 0.1944039), wk = 0.0031250 k( 186) = ( 0.4880952 0.2818019 0.1992640), wk = 0.0031250 k( 187) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031250 k( 188) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031250 k( 189) = ( 0.5041667 0.2766470 0.2109283), wk = 0.0031250 k( 190) = ( 0.5083333 0.2646189 0.2177324), wk = 0.0031250 k( 191) = ( 0.5125000 0.2525907 0.2245366), wk = 0.0031250 k( 192) = ( 0.5166667 0.2405626 0.2313407), wk = 0.0031250 k( 193) = ( 0.5208333 0.2285345 0.2381448), wk = 0.0031250 k( 194) = ( 0.5250000 0.2165064 0.2449490), wk = 0.0031250 k( 195) = ( 0.5291667 0.2044782 0.2517531), wk = 0.0031250 k( 196) = ( 0.5333333 0.1924501 0.2585572), wk = 0.0031250 k( 197) = ( 0.5375000 0.1804220 0.2653614), wk = 0.0031250 k( 198) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0031250 k( 199) = ( 0.5458333 0.1563657 0.2789697), wk = 0.0031250 k( 200) = ( 0.5500000 0.1443376 0.2857738), wk = 0.0031250 k( 201) = ( 0.5541667 0.1323094 0.2925779), wk = 0.0031250 k( 202) = ( 0.5583333 0.1202813 0.2993821), wk = 0.0031250 k( 203) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0031250 k( 204) = ( 0.5666667 0.0962250 0.3129904), wk = 0.0031250 k( 205) = ( 0.5708333 0.0841969 0.3197945), wk = 0.0031250 k( 206) = ( 0.5750000 0.0721688 0.3265986), wk = 0.0031250 k( 207) = ( 0.5791667 0.0601407 0.3334028), wk = 0.0031250 k( 208) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0031250 k( 209) = ( 0.5875000 0.0360844 0.3470110), wk = 0.0031250 k( 210) = ( 0.5916667 0.0240563 0.3538152), wk = 0.0031250 k( 211) = ( 0.5958333 0.0120281 0.3606193), wk = 0.0031250 k( 212) = ( 0.6000000 -0.0000000 0.3674235), wk = 0.0031250 k( 213) = ( 0.6041667 -0.0120281 0.3742276), wk = 0.0031250 k( 214) = ( 0.6083333 -0.0240563 0.3810317), wk = 0.0031250 k( 215) = ( 0.6125000 -0.0360844 0.3878359), wk = 0.0031250 k( 216) = ( 0.6166667 -0.0481125 0.3946400), wk = 0.0031250 k( 217) = ( 0.6208333 -0.0601407 0.4014442), wk = 0.0031250 k( 218) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031250 k( 219) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031250 k( 220) = ( 0.6176471 -0.0679236 0.4202556), wk = 0.0031250 k( 221) = ( 0.6102941 -0.0636783 0.4322629), wk = 0.0031250 k( 222) = ( 0.6029412 -0.0594331 0.4442702), wk = 0.0031250 k( 223) = ( 0.5955882 -0.0551879 0.4562775), wk = 0.0031250 k( 224) = ( 0.5882353 -0.0509427 0.4682848), wk = 0.0031250 k( 225) = ( 0.5808823 -0.0466974 0.4802921), wk = 0.0031250 k( 226) = ( 0.5735294 -0.0424522 0.4922994), wk = 0.0031250 k( 227) = ( 0.5661765 -0.0382070 0.5043067), wk = 0.0031250 k( 228) = ( 0.5588235 -0.0339618 0.5163140), wk = 0.0031250 k( 229) = ( 0.5514706 -0.0297166 0.5283213), wk = 0.0031250 k( 230) = ( 0.5441177 -0.0254713 0.5403286), wk = 0.0031250 k( 231) = ( 0.5367647 -0.0212261 0.5523359), wk = 0.0031250 k( 232) = ( 0.5294118 -0.0169809 0.5643432), wk = 0.0031250 k( 233) = ( 0.5220588 -0.0127357 0.5763505), wk = 0.0031250 k( 234) = ( 0.5147059 -0.0084904 0.5883578), wk = 0.0031250 k( 235) = ( 0.5073529 -0.0042452 0.6003651), wk = 0.0031250 k( 236) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0031250 k( 237) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0031250 k( 238) = ( 0.5000000 0.0084904 0.6003651), wk = 0.0031250 k( 239) = ( 0.5000000 0.0169809 0.5883578), wk = 0.0031250 k( 240) = ( 0.5000000 0.0254713 0.5763505), wk = 0.0031250 k( 241) = ( 0.5000000 0.0339618 0.5643432), wk = 0.0031250 k( 242) = ( 0.5000000 0.0424522 0.5523359), wk = 0.0031250 k( 243) = ( 0.5000000 0.0509427 0.5403286), wk = 0.0031250 k( 244) = ( 0.5000000 0.0594331 0.5283213), wk = 0.0031250 k( 245) = ( 0.5000000 0.0679236 0.5163140), wk = 0.0031250 k( 246) = ( 0.5000000 0.0764140 0.5043067), wk = 0.0031250 k( 247) = ( 0.5000000 0.0849044 0.4922994), wk = 0.0031250 k( 248) = ( 0.5000000 0.0933949 0.4802921), wk = 0.0031250 k( 249) = ( 0.5000000 0.1018853 0.4682848), wk = 0.0031250 k( 250) = ( 0.5000000 0.1103758 0.4562775), wk = 0.0031250 k( 251) = ( 0.5000000 0.1188662 0.4442702), wk = 0.0031250 k( 252) = ( 0.5000000 0.1273567 0.4322629), wk = 0.0031250 k( 253) = ( 0.5000000 0.1358471 0.4202556), wk = 0.0031250 k( 254) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0031250 k( 255) = ( 0.5000000 0.1528280 0.3962410), wk = 0.0031250 k( 256) = ( 0.5000000 0.1613185 0.3842337), wk = 0.0031250 k( 257) = ( 0.5000000 0.1698089 0.3722264), wk = 0.0031250 k( 258) = ( 0.5000000 0.1782993 0.3602191), wk = 0.0031250 k( 259) = ( 0.5000000 0.1867898 0.3482118), wk = 0.0031250 k( 260) = ( 0.5000000 0.1952802 0.3362045), wk = 0.0031250 k( 261) = ( 0.5000000 0.2037707 0.3241972), wk = 0.0031250 k( 262) = ( 0.5000000 0.2122611 0.3121899), wk = 0.0031250 k( 263) = ( 0.5000000 0.2207516 0.3001826), wk = 0.0031250 k( 264) = ( 0.5000000 0.2292420 0.2881753), wk = 0.0031250 k( 265) = ( 0.5000000 0.2377325 0.2761680), wk = 0.0031250 k( 266) = ( 0.5000000 0.2462229 0.2641607), wk = 0.0031250 k( 267) = ( 0.5000000 0.2547134 0.2521533), wk = 0.0031250 k( 268) = ( 0.5000000 0.2632038 0.2401460), wk = 0.0031250 k( 269) = ( 0.5000000 0.2716942 0.2281387), wk = 0.0031250 k( 270) = ( 0.5000000 0.2801847 0.2161314), wk = 0.0031250 k( 271) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031250 k( 272) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031250 k( 273) = ( 0.4958333 0.2862695 0.2177324), wk = 0.0031250 k( 274) = ( 0.4916667 0.2838639 0.2313407), wk = 0.0031250 k( 275) = ( 0.4875000 0.2814583 0.2449490), wk = 0.0031250 k( 276) = ( 0.4833333 0.2790526 0.2585572), wk = 0.0031250 k( 277) = ( 0.4791667 0.2766470 0.2721655), wk = 0.0031250 k( 278) = ( 0.4750000 0.2742414 0.2857738), wk = 0.0031250 k( 279) = ( 0.4708333 0.2718357 0.2993821), wk = 0.0031250 k( 280) = ( 0.4666667 0.2694301 0.3129904), wk = 0.0031250 k( 281) = ( 0.4625000 0.2670245 0.3265986), wk = 0.0031250 k( 282) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0031250 k( 283) = ( 0.4541667 0.2622132 0.3538152), wk = 0.0031250 k( 284) = ( 0.4500000 0.2598076 0.3674235), wk = 0.0031250 k( 285) = ( 0.4458333 0.2574020 0.3810317), wk = 0.0031250 k( 286) = ( 0.4416667 0.2549964 0.3946400), wk = 0.0031250 k( 287) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0031250 k( 288) = ( 0.4333333 0.2501851 0.4218566), wk = 0.0031250 k( 289) = ( 0.4291667 0.2477795 0.4354648), wk = 0.0031250 k( 290) = ( 0.4250000 0.2453739 0.4490731), wk = 0.0031250 k( 291) = ( 0.4208333 0.2429682 0.4626814), wk = 0.0031250 k( 292) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0031250 k( 293) = ( 0.4125000 0.2381570 0.4898979), wk = 0.0031250 k( 294) = ( 0.4083333 0.2357514 0.5035062), wk = 0.0031250 k( 295) = ( 0.4041667 0.2333457 0.5171145), wk = 0.0031250 k( 296) = ( 0.4000000 0.2309401 0.5307228), wk = 0.0031250 k( 297) = ( 0.3958333 0.2285345 0.5443311), wk = 0.0031250 k( 298) = ( 0.3916667 0.2261289 0.5579393), wk = 0.0031250 k( 299) = ( 0.3875000 0.2237232 0.5715476), wk = 0.0031250 k( 300) = ( 0.3833333 0.2213176 0.5851559), wk = 0.0031250 k( 301) = ( 0.3791667 0.2189120 0.5987642), wk = 0.0031250 k( 302) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031250 k( 303) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031250 k( 304) = ( 0.6176471 -0.0849044 0.4082483), wk = 0.0031250 k( 305) = ( 0.6102941 -0.0976401 0.4082483), wk = 0.0031250 k( 306) = ( 0.6029412 -0.1103758 0.4082483), wk = 0.0031250 k( 307) = ( 0.5955882 -0.1231115 0.4082483), wk = 0.0031250 k( 308) = ( 0.5882353 -0.1358471 0.4082483), wk = 0.0031250 k( 309) = ( 0.5808823 -0.1485828 0.4082483), wk = 0.0031250 k( 310) = ( 0.5735294 -0.1613185 0.4082483), wk = 0.0031250 k( 311) = ( 0.5661765 -0.1740541 0.4082483), wk = 0.0031250 k( 312) = ( 0.5588235 -0.1867898 0.4082483), wk = 0.0031250 k( 313) = ( 0.5514706 -0.1995255 0.4082483), wk = 0.0031250 k( 314) = ( 0.5441177 -0.2122611 0.4082483), wk = 0.0031250 k( 315) = ( 0.5367647 -0.2249968 0.4082483), wk = 0.0031250 k( 316) = ( 0.5294118 -0.2377325 0.4082483), wk = 0.0031250 k( 317) = ( 0.5220588 -0.2504681 0.4082483), wk = 0.0031250 k( 318) = ( 0.5147059 -0.2632038 0.4082483), wk = 0.0031250 k( 319) = ( 0.5073529 -0.2759395 0.4082483), wk = 0.0031250 k( 320) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031250 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 2) = ( 0.0104167 -0.0000000 0.0104167), wk = 0.0031250 k( 3) = ( 0.0208333 0.0000000 0.0208333), wk = 0.0031250 k( 4) = ( 0.0312500 0.0000000 0.0312500), wk = 0.0031250 k( 5) = ( 0.0416667 -0.0000000 0.0416667), wk = 0.0031250 k( 6) = ( 0.0520833 -0.0000000 0.0520833), wk = 0.0031250 k( 7) = ( 0.0625000 0.0000000 0.0625000), wk = 0.0031250 k( 8) = ( 0.0729167 0.0000000 0.0729167), wk = 0.0031250 k( 9) = ( 0.0833333 -0.0000000 0.0833333), wk = 0.0031250 k( 10) = ( 0.0937500 -0.0000000 0.0937500), wk = 0.0031250 k( 11) = ( 0.1041667 -0.0000000 0.1041667), wk = 0.0031250 k( 12) = ( 0.1145833 -0.0000000 0.1145833), wk = 0.0031250 k( 13) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0031250 k( 14) = ( 0.1354167 0.0000000 0.1354167), wk = 0.0031250 k( 15) = ( 0.1458333 0.0000000 0.1458333), wk = 0.0031250 k( 16) = ( 0.1562500 -0.0000000 0.1562500), wk = 0.0031250 k( 17) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0031250 k( 18) = ( 0.1770833 -0.0000000 0.1770833), wk = 0.0031250 k( 19) = ( 0.1875000 -0.0000000 0.1875000), wk = 0.0031250 k( 20) = ( 0.1979167 -0.0000000 0.1979167), wk = 0.0031250 k( 21) = ( 0.2083333 -0.0000000 0.2083333), wk = 0.0031250 k( 22) = ( 0.2187500 -0.0000000 0.2187500), wk = 0.0031250 k( 23) = ( 0.2291667 0.0000000 0.2291667), wk = 0.0031250 k( 24) = ( 0.2395833 -0.0000000 0.2395833), wk = 0.0031250 k( 25) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0031250 k( 26) = ( 0.2604167 0.0000000 0.2604167), wk = 0.0031250 k( 27) = ( 0.2708333 0.0000000 0.2708333), wk = 0.0031250 k( 28) = ( 0.2812500 -0.0000000 0.2812500), wk = 0.0031250 k( 29) = ( 0.2916667 -0.0000000 0.2916667), wk = 0.0031250 k( 30) = ( 0.3020833 -0.0000000 0.3020833), wk = 0.0031250 k( 31) = ( 0.3125000 -0.0000000 0.3125000), wk = 0.0031250 k( 32) = ( 0.3229167 0.0000000 0.3229167), wk = 0.0031250 k( 33) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0031250 k( 34) = ( 0.3437500 0.0000000 0.3437500), wk = 0.0031250 k( 35) = ( 0.3541667 -0.0000000 0.3541667), wk = 0.0031250 k( 36) = ( 0.3645833 -0.0000000 0.3645833), wk = 0.0031250 k( 37) = ( 0.3750000 -0.0000000 0.3750000), wk = 0.0031250 k( 38) = ( 0.3854167 -0.0000000 0.3854167), wk = 0.0031250 k( 39) = ( 0.3958333 -0.0000000 0.3958333), wk = 0.0031250 k( 40) = ( 0.4062500 -0.0000000 0.4062500), wk = 0.0031250 k( 41) = ( 0.4166667 -0.0000000 0.4166667), wk = 0.0031250 k( 42) = ( 0.4270833 -0.0000000 0.4270833), wk = 0.0031250 k( 43) = ( 0.4375000 -0.0000000 0.4375000), wk = 0.0031250 k( 44) = ( 0.4479167 -0.0000000 0.4479167), wk = 0.0031250 k( 45) = ( 0.4583333 -0.0000000 0.4583333), wk = 0.0031250 k( 46) = ( 0.4687500 -0.0000000 0.4687500), wk = 0.0031250 k( 47) = ( 0.4791667 -0.0000000 0.4791667), wk = 0.0031250 k( 48) = ( 0.4895833 -0.0000000 0.4895833), wk = 0.0031250 k( 49) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031250 k( 50) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031250 k( 51) = ( 0.5000000 0.0104167 0.5104167), wk = 0.0031250 k( 52) = ( 0.5000000 0.0208333 0.5208333), wk = 0.0031250 k( 53) = ( 0.5000000 0.0312500 0.5312500), wk = 0.0031250 k( 54) = ( 0.5000000 0.0416667 0.5416667), wk = 0.0031250 k( 55) = ( 0.5000000 0.0520833 0.5520833), wk = 0.0031250 k( 56) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0031250 k( 57) = ( 0.5000000 0.0729167 0.5729167), wk = 0.0031250 k( 58) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0031250 k( 59) = ( 0.5000000 0.0937500 0.5937500), wk = 0.0031250 k( 60) = ( 0.5000000 0.1041667 0.6041667), wk = 0.0031250 k( 61) = ( 0.5000000 0.1145833 0.6145833), wk = 0.0031250 k( 62) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0031250 k( 63) = ( 0.5000000 0.1354167 0.6354167), wk = 0.0031250 k( 64) = ( 0.5000000 0.1458333 0.6458333), wk = 0.0031250 k( 65) = ( 0.5000000 0.1562500 0.6562500), wk = 0.0031250 k( 66) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0031250 k( 67) = ( 0.5000000 0.1770833 0.6770833), wk = 0.0031250 k( 68) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0031250 k( 69) = ( 0.5000000 0.1979167 0.6979167), wk = 0.0031250 k( 70) = ( 0.5000000 0.2083333 0.7083333), wk = 0.0031250 k( 71) = ( 0.5000000 0.2187500 0.7187500), wk = 0.0031250 k( 72) = ( 0.5000000 0.2291667 0.7291667), wk = 0.0031250 k( 73) = ( 0.5000000 0.2395833 0.7395833), wk = 0.0031250 k( 74) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031250 k( 75) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031250 k( 76) = ( 0.4926471 0.2573529 0.7500000), wk = 0.0031250 k( 77) = ( 0.4852941 0.2647059 0.7500000), wk = 0.0031250 k( 78) = ( 0.4779412 0.2720588 0.7500000), wk = 0.0031250 k( 79) = ( 0.4705882 0.2794118 0.7500000), wk = 0.0031250 k( 80) = ( 0.4632353 0.2867647 0.7500000), wk = 0.0031250 k( 81) = ( 0.4558823 0.2941177 0.7500000), wk = 0.0031250 k( 82) = ( 0.4485294 0.3014706 0.7500000), wk = 0.0031250 k( 83) = ( 0.4411765 0.3088235 0.7500000), wk = 0.0031250 k( 84) = ( 0.4338235 0.3161765 0.7500000), wk = 0.0031250 k( 85) = ( 0.4264706 0.3235294 0.7500000), wk = 0.0031250 k( 86) = ( 0.4191177 0.3308824 0.7500000), wk = 0.0031250 k( 87) = ( 0.4117647 0.3382353 0.7500000), wk = 0.0031250 k( 88) = ( 0.4044118 0.3455882 0.7500000), wk = 0.0031250 k( 89) = ( 0.3970588 0.3529412 0.7500000), wk = 0.0031250 k( 90) = ( 0.3897059 0.3602941 0.7500000), wk = 0.0031250 k( 91) = ( 0.3823529 0.3676471 0.7500000), wk = 0.0031250 k( 92) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031250 k( 93) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031250 k( 94) = ( 0.3676471 0.3676471 0.7352941), wk = 0.0031250 k( 95) = ( 0.3602941 0.3602941 0.7205882), wk = 0.0031250 k( 96) = ( 0.3529412 0.3529412 0.7058824), wk = 0.0031250 k( 97) = ( 0.3455882 0.3455882 0.6911765), wk = 0.0031250 k( 98) = ( 0.3382353 0.3382353 0.6764706), wk = 0.0031250 k( 99) = ( 0.3308823 0.3308824 0.6617647), wk = 0.0031250 k( 100) = ( 0.3235294 0.3235294 0.6470588), wk = 0.0031250 k( 101) = ( 0.3161765 0.3161765 0.6323529), wk = 0.0031250 k( 102) = ( 0.3088235 0.3088235 0.6176471), wk = 0.0031250 k( 103) = ( 0.3014706 0.3014706 0.6029412), wk = 0.0031250 k( 104) = ( 0.2941177 0.2941177 0.5882353), wk = 0.0031250 k( 105) = ( 0.2867647 0.2867647 0.5735294), wk = 0.0031250 k( 106) = ( 0.2794118 0.2794118 0.5588235), wk = 0.0031250 k( 107) = ( 0.2720588 0.2720588 0.5441177), wk = 0.0031250 k( 108) = ( 0.2647059 0.2647059 0.5294118), wk = 0.0031250 k( 109) = ( 0.2573529 0.2573529 0.5147059), wk = 0.0031250 k( 110) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0031250 k( 111) = ( 0.2426471 0.2426471 0.4852941), wk = 0.0031250 k( 112) = ( 0.2352941 0.2352941 0.4705882), wk = 0.0031250 k( 113) = ( 0.2279412 0.2279412 0.4558824), wk = 0.0031250 k( 114) = ( 0.2205882 0.2205882 0.4411765), wk = 0.0031250 k( 115) = ( 0.2132353 0.2132353 0.4264706), wk = 0.0031250 k( 116) = ( 0.2058823 0.2058823 0.4117647), wk = 0.0031250 k( 117) = ( 0.1985294 0.1985294 0.3970588), wk = 0.0031250 k( 118) = ( 0.1911765 0.1911765 0.3823529), wk = 0.0031250 k( 119) = ( 0.1838235 0.1838235 0.3676471), wk = 0.0031250 k( 120) = ( 0.1764706 0.1764706 0.3529412), wk = 0.0031250 k( 121) = ( 0.1691177 0.1691177 0.3382353), wk = 0.0031250 k( 122) = ( 0.1617647 0.1617647 0.3235294), wk = 0.0031250 k( 123) = ( 0.1544118 0.1544118 0.3088235), wk = 0.0031250 k( 124) = ( 0.1470588 0.1470588 0.2941177), wk = 0.0031250 k( 125) = ( 0.1397059 0.1397059 0.2794118), wk = 0.0031250 k( 126) = ( 0.1323529 0.1323529 0.2647059), wk = 0.0031250 k( 127) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0031250 k( 128) = ( 0.1176471 0.1176471 0.2352941), wk = 0.0031250 k( 129) = ( 0.1102941 0.1102941 0.2205882), wk = 0.0031250 k( 130) = ( 0.1029412 0.1029412 0.2058824), wk = 0.0031250 k( 131) = ( 0.0955882 0.0955882 0.1911765), wk = 0.0031250 k( 132) = ( 0.0882353 0.0882353 0.1764706), wk = 0.0031250 k( 133) = ( 0.0808824 0.0808824 0.1617647), wk = 0.0031250 k( 134) = ( 0.0735294 0.0735294 0.1470588), wk = 0.0031250 k( 135) = ( 0.0661765 0.0661765 0.1323529), wk = 0.0031250 k( 136) = ( 0.0588235 0.0588235 0.1176471), wk = 0.0031250 k( 137) = ( 0.0514706 0.0514706 0.1029412), wk = 0.0031250 k( 138) = ( 0.0441177 0.0441177 0.0882353), wk = 0.0031250 k( 139) = ( 0.0367647 0.0367647 0.0735294), wk = 0.0031250 k( 140) = ( 0.0294118 0.0294118 0.0588235), wk = 0.0031250 k( 141) = ( 0.0220588 0.0220588 0.0441177), wk = 0.0031250 k( 142) = ( 0.0147059 0.0147059 0.0294118), wk = 0.0031250 k( 143) = ( 0.0073529 0.0073529 0.0147059), wk = 0.0031250 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031250 k( 146) = ( 0.0119048 0.0119048 0.0119048), wk = 0.0031250 k( 147) = ( 0.0238095 0.0238095 0.0238095), wk = 0.0031250 k( 148) = ( 0.0357143 0.0357143 0.0357143), wk = 0.0031250 k( 149) = ( 0.0476191 0.0476191 0.0476191), wk = 0.0031250 k( 150) = ( 0.0595238 0.0595238 0.0595238), wk = 0.0031250 k( 151) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0031250 k( 152) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0031250 k( 153) = ( 0.0952381 0.0952381 0.0952381), wk = 0.0031250 k( 154) = ( 0.1071429 0.1071429 0.1071429), wk = 0.0031250 k( 155) = ( 0.1190476 0.1190476 0.1190476), wk = 0.0031250 k( 156) = ( 0.1309524 0.1309524 0.1309524), wk = 0.0031250 k( 157) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0031250 k( 158) = ( 0.1547619 0.1547619 0.1547619), wk = 0.0031250 k( 159) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0031250 k( 160) = ( 0.1785714 0.1785714 0.1785714), wk = 0.0031250 k( 161) = ( 0.1904762 0.1904762 0.1904762), wk = 0.0031250 k( 162) = ( 0.2023810 0.2023810 0.2023810), wk = 0.0031250 k( 163) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0031250 k( 164) = ( 0.2261905 0.2261905 0.2261905), wk = 0.0031250 k( 165) = ( 0.2380952 0.2380952 0.2380952), wk = 0.0031250 k( 166) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031250 k( 167) = ( 0.2619048 0.2619048 0.2619048), wk = 0.0031250 k( 168) = ( 0.2738095 0.2738095 0.2738095), wk = 0.0031250 k( 169) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0031250 k( 170) = ( 0.2976190 0.2976190 0.2976190), wk = 0.0031250 k( 171) = ( 0.3095238 0.3095238 0.3095238), wk = 0.0031250 k( 172) = ( 0.3214286 0.3214286 0.3214286), wk = 0.0031250 k( 173) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0031250 k( 174) = ( 0.3452381 0.3452381 0.3452381), wk = 0.0031250 k( 175) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0031250 k( 176) = ( 0.3690476 0.3690476 0.3690476), wk = 0.0031250 k( 177) = ( 0.3809524 0.3809524 0.3809524), wk = 0.0031250 k( 178) = ( 0.3928571 0.3928571 0.3928571), wk = 0.0031250 k( 179) = ( 0.4047619 0.4047619 0.4047619), wk = 0.0031250 k( 180) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0031250 k( 181) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0031250 k( 182) = ( 0.4404762 0.4404762 0.4404762), wk = 0.0031250 k( 183) = ( 0.4523810 0.4523810 0.4523810), wk = 0.0031250 k( 184) = ( 0.4642857 0.4642857 0.4642857), wk = 0.0031250 k( 185) = ( 0.4761905 0.4761905 0.4761905), wk = 0.0031250 k( 186) = ( 0.4880952 0.4880952 0.4880952), wk = 0.0031250 k( 187) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031250 k( 188) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031250 k( 189) = ( 0.5041667 0.4916667 0.5041667), wk = 0.0031250 k( 190) = ( 0.5083333 0.4833333 0.5083333), wk = 0.0031250 k( 191) = ( 0.5125000 0.4750000 0.5125000), wk = 0.0031250 k( 192) = ( 0.5166667 0.4666667 0.5166667), wk = 0.0031250 k( 193) = ( 0.5208333 0.4583333 0.5208333), wk = 0.0031250 k( 194) = ( 0.5250000 0.4500000 0.5250000), wk = 0.0031250 k( 195) = ( 0.5291667 0.4416667 0.5291667), wk = 0.0031250 k( 196) = ( 0.5333333 0.4333333 0.5333333), wk = 0.0031250 k( 197) = ( 0.5375000 0.4250000 0.5375000), wk = 0.0031250 k( 198) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0031250 k( 199) = ( 0.5458333 0.4083333 0.5458333), wk = 0.0031250 k( 200) = ( 0.5500000 0.4000000 0.5500000), wk = 0.0031250 k( 201) = ( 0.5541667 0.3916667 0.5541667), wk = 0.0031250 k( 202) = ( 0.5583333 0.3833333 0.5583333), wk = 0.0031250 k( 203) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0031250 k( 204) = ( 0.5666667 0.3666667 0.5666667), wk = 0.0031250 k( 205) = ( 0.5708333 0.3583333 0.5708333), wk = 0.0031250 k( 206) = ( 0.5750000 0.3500000 0.5750000), wk = 0.0031250 k( 207) = ( 0.5791667 0.3416667 0.5791667), wk = 0.0031250 k( 208) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0031250 k( 209) = ( 0.5875000 0.3250000 0.5875000), wk = 0.0031250 k( 210) = ( 0.5916667 0.3166667 0.5916667), wk = 0.0031250 k( 211) = ( 0.5958333 0.3083333 0.5958333), wk = 0.0031250 k( 212) = ( 0.6000000 0.3000000 0.6000000), wk = 0.0031250 k( 213) = ( 0.6041667 0.2916667 0.6041667), wk = 0.0031250 k( 214) = ( 0.6083333 0.2833333 0.6083333), wk = 0.0031250 k( 215) = ( 0.6125000 0.2750000 0.6125000), wk = 0.0031250 k( 216) = ( 0.6166667 0.2666667 0.6166667), wk = 0.0031250 k( 217) = ( 0.6208333 0.2583333 0.6208333), wk = 0.0031250 k( 218) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031250 k( 219) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031250 k( 220) = ( 0.6176471 0.2500000 0.6323529), wk = 0.0031250 k( 221) = ( 0.6102941 0.2500000 0.6397059), wk = 0.0031250 k( 222) = ( 0.6029412 0.2500000 0.6470588), wk = 0.0031250 k( 223) = ( 0.5955882 0.2500000 0.6544118), wk = 0.0031250 k( 224) = ( 0.5882353 0.2500000 0.6617647), wk = 0.0031250 k( 225) = ( 0.5808823 0.2500000 0.6691177), wk = 0.0031250 k( 226) = ( 0.5735294 0.2500000 0.6764706), wk = 0.0031250 k( 227) = ( 0.5661765 0.2500000 0.6838235), wk = 0.0031250 k( 228) = ( 0.5588235 0.2500000 0.6911765), wk = 0.0031250 k( 229) = ( 0.5514706 0.2500000 0.6985294), wk = 0.0031250 k( 230) = ( 0.5441177 0.2500000 0.7058824), wk = 0.0031250 k( 231) = ( 0.5367647 0.2500000 0.7132353), wk = 0.0031250 k( 232) = ( 0.5294118 0.2500000 0.7205882), wk = 0.0031250 k( 233) = ( 0.5220588 0.2500000 0.7279412), wk = 0.0031250 k( 234) = ( 0.5147059 0.2500000 0.7352941), wk = 0.0031250 k( 235) = ( 0.5073529 0.2500000 0.7426471), wk = 0.0031250 k( 236) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031250 k( 237) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031250 k( 238) = ( 0.5000000 0.2573529 0.7426471), wk = 0.0031250 k( 239) = ( 0.5000000 0.2647059 0.7352941), wk = 0.0031250 k( 240) = ( 0.5000000 0.2720588 0.7279412), wk = 0.0031250 k( 241) = ( 0.5000000 0.2794118 0.7205882), wk = 0.0031250 k( 242) = ( 0.5000000 0.2867647 0.7132353), wk = 0.0031250 k( 243) = ( 0.5000000 0.2941177 0.7058824), wk = 0.0031250 k( 244) = ( 0.5000000 0.3014706 0.6985294), wk = 0.0031250 k( 245) = ( 0.5000000 0.3088235 0.6911765), wk = 0.0031250 k( 246) = ( 0.5000000 0.3161765 0.6838235), wk = 0.0031250 k( 247) = ( 0.5000000 0.3235294 0.6764706), wk = 0.0031250 k( 248) = ( 0.5000000 0.3308823 0.6691177), wk = 0.0031250 k( 249) = ( 0.5000000 0.3382353 0.6617647), wk = 0.0031250 k( 250) = ( 0.5000000 0.3455882 0.6544118), wk = 0.0031250 k( 251) = ( 0.5000000 0.3529412 0.6470588), wk = 0.0031250 k( 252) = ( 0.5000000 0.3602941 0.6397059), wk = 0.0031250 k( 253) = ( 0.5000000 0.3676471 0.6323529), wk = 0.0031250 k( 254) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0031250 k( 255) = ( 0.5000000 0.3823529 0.6176471), wk = 0.0031250 k( 256) = ( 0.5000000 0.3897059 0.6102941), wk = 0.0031250 k( 257) = ( 0.5000000 0.3970588 0.6029412), wk = 0.0031250 k( 258) = ( 0.5000000 0.4044118 0.5955882), wk = 0.0031250 k( 259) = ( 0.5000000 0.4117647 0.5882353), wk = 0.0031250 k( 260) = ( 0.5000000 0.4191177 0.5808824), wk = 0.0031250 k( 261) = ( 0.5000000 0.4264706 0.5735294), wk = 0.0031250 k( 262) = ( 0.5000000 0.4338235 0.5661765), wk = 0.0031250 k( 263) = ( 0.5000000 0.4411765 0.5588235), wk = 0.0031250 k( 264) = ( 0.5000000 0.4485294 0.5514706), wk = 0.0031250 k( 265) = ( 0.5000000 0.4558824 0.5441177), wk = 0.0031250 k( 266) = ( 0.5000000 0.4632353 0.5367647), wk = 0.0031250 k( 267) = ( 0.5000000 0.4705882 0.5294118), wk = 0.0031250 k( 268) = ( 0.5000000 0.4779412 0.5220588), wk = 0.0031250 k( 269) = ( 0.5000000 0.4852941 0.5147059), wk = 0.0031250 k( 270) = ( 0.5000000 0.4926471 0.5073529), wk = 0.0031250 k( 271) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031250 k( 272) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031250 k( 273) = ( 0.4958333 0.4958333 0.5083333), wk = 0.0031250 k( 274) = ( 0.4916667 0.4916667 0.5166667), wk = 0.0031250 k( 275) = ( 0.4875000 0.4875000 0.5250000), wk = 0.0031250 k( 276) = ( 0.4833333 0.4833333 0.5333333), wk = 0.0031250 k( 277) = ( 0.4791667 0.4791667 0.5416667), wk = 0.0031250 k( 278) = ( 0.4750000 0.4750000 0.5500000), wk = 0.0031250 k( 279) = ( 0.4708333 0.4708333 0.5583333), wk = 0.0031250 k( 280) = ( 0.4666667 0.4666667 0.5666667), wk = 0.0031250 k( 281) = ( 0.4625000 0.4625000 0.5750000), wk = 0.0031250 k( 282) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0031250 k( 283) = ( 0.4541667 0.4541667 0.5916667), wk = 0.0031250 k( 284) = ( 0.4500000 0.4500000 0.6000000), wk = 0.0031250 k( 285) = ( 0.4458333 0.4458333 0.6083333), wk = 0.0031250 k( 286) = ( 0.4416667 0.4416667 0.6166667), wk = 0.0031250 k( 287) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0031250 k( 288) = ( 0.4333333 0.4333333 0.6333333), wk = 0.0031250 k( 289) = ( 0.4291667 0.4291667 0.6416667), wk = 0.0031250 k( 290) = ( 0.4250000 0.4250000 0.6500000), wk = 0.0031250 k( 291) = ( 0.4208333 0.4208333 0.6583333), wk = 0.0031250 k( 292) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0031250 k( 293) = ( 0.4125000 0.4125000 0.6750000), wk = 0.0031250 k( 294) = ( 0.4083333 0.4083333 0.6833333), wk = 0.0031250 k( 295) = ( 0.4041667 0.4041667 0.6916667), wk = 0.0031250 k( 296) = ( 0.4000000 0.4000000 0.7000000), wk = 0.0031250 k( 297) = ( 0.3958333 0.3958333 0.7083333), wk = 0.0031250 k( 298) = ( 0.3916667 0.3916667 0.7166667), wk = 0.0031250 k( 299) = ( 0.3875000 0.3875000 0.7250000), wk = 0.0031250 k( 300) = ( 0.3833333 0.3833333 0.7333333), wk = 0.0031250 k( 301) = ( 0.3791667 0.3791667 0.7416667), wk = 0.0031250 k( 302) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031250 k( 303) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031250 k( 304) = ( 0.6176471 0.2352941 0.6176471), wk = 0.0031250 k( 305) = ( 0.6102941 0.2205882 0.6102941), wk = 0.0031250 k( 306) = ( 0.6029412 0.2058823 0.6029412), wk = 0.0031250 k( 307) = ( 0.5955882 0.1911765 0.5955882), wk = 0.0031250 k( 308) = ( 0.5882353 0.1764706 0.5882353), wk = 0.0031250 k( 309) = ( 0.5808823 0.1617647 0.5808824), 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: 67937 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.22 Mb ( 482, 30) NL pseudopotentials 0.35 Mb ( 241, 96) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1888) G-vector shells 0.00 Mb ( 486) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.88 Mb ( 482, 120) Each subspace H/S matrix 0.01 Mb ( 30, 30) Each matrix 0.09 Mb ( 96, 2, 30) The potential is recalculated from file : ./Li2AgSb.save/charge-density.dat Starting wfc are 46 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 3.4 secs Computing kpt #: 3 total cpu time spent up to now is 3.8 secs Computing kpt #: 4 total cpu time spent up to now is 4.3 secs Computing kpt #: 5 total cpu time spent up to now is 4.9 secs Computing kpt #: 6 total cpu time spent up to now is 5.5 secs Computing kpt #: 7 total cpu time spent up to now is 6.1 secs Computing kpt #: 8 total cpu time spent up to now is 6.5 secs Computing kpt #: 9 total cpu time spent up to now is 6.9 secs Computing kpt #: 10 total cpu time spent up to now is 7.4 secs Computing kpt #: 11 total cpu time spent up to now is 7.9 secs Computing kpt #: 12 total cpu time spent up to now is 8.3 secs Computing kpt #: 13 total cpu time spent up to now is 8.7 secs Computing kpt #: 14 total cpu time spent up to now is 9.2 secs Computing kpt #: 15 total cpu time spent up to now is 9.7 secs Computing kpt #: 16 total cpu time spent up to now is 10.2 secs Computing kpt #: 17 total cpu time spent up to now is 10.6 secs Computing kpt #: 18 total cpu time spent up to now is 11.1 secs Computing kpt #: 19 total cpu time spent up to now is 11.6 secs Computing kpt #: 20 total cpu time spent up to now is 12.1 secs Computing kpt #: 21 total cpu time spent up to now is 12.5 secs Computing kpt #: 22 total cpu time spent up to now is 12.9 secs Computing kpt #: 23 total cpu time spent up to now is 13.5 secs Computing kpt #: 24 total cpu time spent up to now is 13.9 secs Computing kpt #: 25 total cpu time spent up to now is 14.4 secs Computing kpt #: 26 total cpu time spent up to now is 14.8 secs Computing kpt #: 27 total cpu time spent up to now is 15.3 secs Computing kpt #: 28 total cpu time spent up to now is 15.8 secs Computing kpt #: 29 total cpu time spent up to now is 16.3 secs Computing kpt #: 30 total cpu time spent up to now is 16.7 secs Computing kpt #: 31 total cpu time spent up to now is 17.2 secs Computing kpt #: 32 total cpu time spent up to now is 17.6 secs Computing kpt #: 33 total cpu time spent up to now is 18.1 secs Computing kpt #: 34 total cpu time spent up to now is 18.6 secs Computing kpt #: 35 total cpu time spent up to now is 19.1 secs Computing kpt #: 36 total cpu time spent up to now is 19.6 secs Computing kpt #: 37 total cpu time spent up to now is 20.1 secs Computing kpt #: 38 total cpu time spent up to now is 20.6 secs Computing kpt #: 39 total cpu time spent up to now is 21.1 secs Computing kpt #: 40 total cpu time spent up to now is 21.5 secs Computing kpt #: 41 total cpu time spent up to now is 22.0 secs Computing kpt #: 42 total cpu time spent up to now is 22.5 secs Computing kpt #: 43 total cpu time spent up to now is 23.0 secs Computing kpt #: 44 total cpu time spent up to now is 23.4 secs Computing kpt #: 45 total cpu time spent up to now is 23.9 secs Computing kpt #: 46 total cpu time spent up to now is 24.4 secs Computing kpt #: 47 total cpu time spent up to now is 24.9 secs Computing kpt #: 48 total cpu time spent up to now is 25.3 secs Computing kpt #: 49 total cpu time spent up to now is 25.8 secs Computing kpt #: 50 total cpu time spent up to now is 26.3 secs Computing kpt #: 51 total cpu time spent up to now is 26.8 secs Computing kpt #: 52 total cpu time spent up to now is 27.3 secs Computing kpt #: 53 total cpu time spent up to now is 27.8 secs Computing kpt #: 54 total cpu time spent up to now is 28.3 secs Computing kpt #: 55 total cpu time spent up to now is 28.9 secs Computing kpt #: 56 total cpu time spent up to now is 29.4 secs Computing kpt #: 57 total cpu time spent up to now is 30.0 secs Computing kpt #: 58 total cpu time spent up to now is 30.6 secs Computing kpt #: 59 total cpu time spent up to now is 31.2 secs Computing kpt #: 60 total cpu time spent up to now is 31.7 secs Computing kpt #: 61 total cpu time spent up to now is 32.2 secs Computing kpt #: 62 total cpu time spent up to now is 32.7 secs Computing kpt #: 63 total cpu time spent up to now is 33.1 secs Computing kpt #: 64 total cpu time spent up to now is 33.6 secs Computing kpt #: 65 total cpu time spent up to now is 34.1 secs Computing kpt #: 66 total cpu time spent up to now is 34.5 secs Computing kpt #: 67 total cpu time spent up to now is 35.2 secs Computing kpt #: 68 total cpu time spent up to now is 35.6 secs Computing kpt #: 69 total cpu time spent up to now is 36.1 secs Computing kpt #: 70 total cpu time spent up to now is 36.5 secs Computing kpt #: 71 total cpu time spent up to now is 36.9 secs Computing kpt #: 72 total cpu time spent up to now is 37.3 secs Computing kpt #: 73 total cpu time spent up to now is 37.7 secs Computing kpt #: 74 total cpu time spent up to now is 38.1 secs Computing kpt #: 75 total cpu time spent up to now is 38.5 secs Computing kpt #: 76 total cpu time spent up to now is 38.9 secs Computing kpt #: 77 total cpu time spent up to now is 39.3 secs Computing kpt #: 78 total cpu time spent up to now is 39.8 secs Computing kpt #: 79 total cpu time spent up to now is 40.2 secs Computing kpt #: 80 total cpu time spent up to now is 40.6 secs Computing kpt #: 81 total cpu time spent up to now is 41.0 secs Computing kpt #: 82 total cpu time spent up to now is 41.5 secs Computing kpt #: 83 total cpu time spent up to now is 41.9 secs Computing kpt #: 84 total cpu time spent up to now is 42.4 secs Computing kpt #: 85 total cpu time spent up to now is 42.9 secs Computing kpt #: 86 total cpu time spent up to now is 43.3 secs Computing kpt #: 87 total cpu time spent up to now is 43.8 secs Computing kpt #: 88 total cpu time spent up to now is 44.3 secs Computing kpt #: 89 total cpu time spent up to now is 44.8 secs Computing kpt #: 90 total cpu time spent up to now is 45.2 secs Computing kpt #: 91 total cpu time spent up to now is 45.7 secs Computing kpt #: 92 total cpu time spent up to now is 46.2 secs Computing kpt #: 93 total cpu time spent up to now is 46.7 secs Computing kpt #: 94 total cpu time spent up to now is 47.1 secs Computing kpt #: 95 total cpu time spent up to now is 47.6 secs Computing kpt #: 96 total cpu time spent up to now is 48.1 secs Computing kpt #: 97 total cpu time spent up to now is 48.6 secs Computing kpt #: 98 total cpu time spent up to now is 49.1 secs Computing kpt #: 99 total cpu time spent up to now is 49.6 secs Computing kpt #: 100 total cpu time spent up to now is 50.0 secs Computing kpt #: 101 total cpu time spent up to now is 50.5 secs Computing kpt #: 102 total cpu time spent up to now is 51.0 secs Computing kpt #: 103 total cpu time spent up to now is 51.4 secs Computing kpt #: 104 total cpu time spent up to now is 51.9 secs Computing kpt #: 105 total cpu time spent up to now is 52.3 secs Computing kpt #: 106 total cpu time spent up to now is 52.8 secs Computing kpt #: 107 total cpu time spent up to now is 53.3 secs Computing kpt #: 108 total cpu time spent up to now is 53.7 secs Computing kpt #: 109 total cpu time spent up to now is 54.1 secs Computing kpt #: 110 total cpu time spent up to now is 54.6 secs Computing kpt #: 111 total cpu time spent up to now is 55.1 secs Computing kpt #: 112 total cpu time spent up to now is 55.6 secs Computing kpt #: 113 total cpu time spent up to now is 56.0 secs Computing kpt #: 114 total cpu time spent up to now is 56.5 secs Computing kpt #: 115 total cpu time spent up to now is 57.0 secs Computing kpt #: 116 total cpu time spent up to now is 57.5 secs Computing kpt #: 117 total cpu time spent up to now is 58.0 secs Computing kpt #: 118 total cpu time spent up to now is 58.5 secs Computing kpt #: 119 total cpu time spent up to now is 59.0 secs Computing kpt #: 120 total cpu time spent up to now is 59.5 secs Computing kpt #: 121 total cpu time spent up to now is 59.9 secs Computing kpt #: 122 total cpu time spent up to now is 60.4 secs Computing kpt #: 123 total cpu time spent up to now is 60.9 secs Computing kpt #: 124 total cpu time spent up to now is 61.4 secs Computing kpt #: 125 total cpu time spent up to now is 61.9 secs Computing kpt #: 126 total cpu time spent up to now is 62.4 secs Computing kpt #: 127 total cpu time spent up to now is 62.9 secs Computing kpt #: 128 total cpu time spent up to now is 63.3 secs Computing kpt #: 129 total cpu time spent up to now is 63.8 secs Computing kpt #: 130 total cpu time spent up to now is 64.2 secs Computing kpt #: 131 total cpu time spent up to now is 64.6 secs Computing kpt #: 132 total cpu time spent up to now is 65.1 secs Computing kpt #: 133 total cpu time spent up to now is 65.5 secs Computing kpt #: 134 total cpu time spent up to now is 66.0 secs Computing kpt #: 135 total cpu time spent up to now is 66.4 secs Computing kpt #: 136 total cpu time spent up to now is 66.8 secs Computing kpt #: 137 total cpu time spent up to now is 67.2 secs Computing kpt #: 138 total cpu time spent up to now is 67.7 secs Computing kpt #: 139 total cpu time spent up to now is 68.1 secs Computing kpt #: 140 total cpu time spent up to now is 68.5 secs Computing kpt #: 141 total cpu time spent up to now is 69.0 secs Computing kpt #: 142 total cpu time spent up to now is 69.5 secs Computing kpt #: 143 total cpu time spent up to now is 69.9 secs Computing kpt #: 144 total cpu time spent up to now is 70.3 secs Computing kpt #: 145 total cpu time spent up to now is 70.8 secs Computing kpt #: 146 total cpu time spent up to now is 71.2 secs Computing kpt #: 147 total cpu time spent up to now is 71.6 secs Computing kpt #: 148 total cpu time spent up to now is 72.1 secs Computing kpt #: 149 total cpu time spent up to now is 72.5 secs Computing kpt #: 150 total cpu time spent up to now is 72.9 secs Computing kpt #: 151 total cpu time spent up to now is 73.4 secs Computing kpt #: 152 total cpu time spent up to now is 73.8 secs Computing kpt #: 153 total cpu time spent up to now is 74.3 secs Computing kpt #: 154 total cpu time spent up to now is 74.7 secs Computing kpt #: 155 total cpu time spent up to now is 75.2 secs Computing kpt #: 156 total cpu time spent up to now is 75.6 secs Computing kpt #: 157 total cpu time spent up to now is 76.1 secs Computing kpt #: 158 total cpu time spent up to now is 76.5 secs Computing kpt #: 159 total cpu time spent up to now is 77.0 secs Computing kpt #: 160 total cpu time spent up to now is 77.5 secs Computing kpt #: 161 total cpu time spent up to now is 77.9 secs Computing kpt #: 162 total cpu time spent up to now is 78.3 secs Computing kpt #: 163 total cpu time spent up to now is 78.8 secs Computing kpt #: 164 total cpu time spent up to now is 79.2 secs Computing kpt #: 165 total cpu time spent up to now is 79.7 secs Computing kpt #: 166 total cpu time spent up to now is 80.1 secs Computing kpt #: 167 total cpu time spent up to now is 80.5 secs Computing kpt #: 168 total cpu time spent up to now is 81.0 secs Computing kpt #: 169 total cpu time spent up to now is 81.4 secs Computing kpt #: 170 total cpu time spent up to now is 81.9 secs Computing kpt #: 171 total cpu time spent up to now is 82.3 secs Computing kpt #: 172 total cpu time spent up to now is 82.8 secs Computing kpt #: 173 total cpu time spent up to now is 83.2 secs Computing kpt #: 174 total cpu time spent up to now is 83.7 secs Computing kpt #: 175 total cpu time spent up to now is 84.1 secs Computing kpt #: 176 total cpu time spent up to now is 84.5 secs Computing kpt #: 177 total cpu time spent up to now is 85.0 secs Computing kpt #: 178 total cpu time spent up to now is 85.4 secs Computing kpt #: 179 total cpu time spent up to now is 85.9 secs Computing kpt #: 180 total cpu time spent up to now is 86.3 secs Computing kpt #: 181 total cpu time spent up to now is 86.7 secs Computing kpt #: 182 total cpu time spent up to now is 87.1 secs Computing kpt #: 183 total cpu time spent up to now is 87.6 secs Computing kpt #: 184 total cpu time spent up to now is 88.0 secs Computing kpt #: 185 total cpu time spent up to now is 88.4 secs Computing kpt #: 186 total cpu time spent up to now is 88.8 secs Computing kpt #: 187 total cpu time spent up to now is 89.3 secs Computing kpt #: 188 total cpu time spent up to now is 89.7 secs Computing kpt #: 189 total cpu time spent up to now is 90.1 secs Computing kpt #: 190 total cpu time spent up to now is 90.5 secs Computing kpt #: 191 total cpu time spent up to now is 91.0 secs Computing kpt #: 192 total cpu time spent up to now is 91.4 secs Computing kpt #: 193 total cpu time spent up to now is 91.8 secs Computing kpt #: 194 total cpu time spent up to now is 92.2 secs Computing kpt #: 195 total cpu time spent up to now is 92.7 secs Computing kpt #: 196 total cpu time spent up to now is 93.1 secs Computing kpt #: 197 total cpu time spent up to now is 93.6 secs Computing kpt #: 198 total cpu time spent up to now is 94.0 secs Computing kpt #: 199 total cpu time spent up to now is 94.5 secs Computing kpt #: 200 total cpu time spent up to now is 95.0 secs Computing kpt #: 201 total cpu time spent up to now is 95.5 secs Computing kpt #: 202 total cpu time spent up to now is 95.9 secs Computing kpt #: 203 total cpu time spent up to now is 96.4 secs Computing kpt #: 204 total cpu time spent up to now is 96.9 secs Computing kpt #: 205 total cpu time spent up to now is 97.4 secs Computing kpt #: 206 total cpu time spent up to now is 97.9 secs Computing kpt #: 207 total cpu time spent up to now is 98.3 secs Computing kpt #: 208 total cpu time spent up to now is 98.8 secs Computing kpt #: 209 total cpu time spent up to now is 99.3 secs Computing kpt #: 210 total cpu time spent up to now is 99.7 secs Computing kpt #: 211 total cpu time spent up to now is 100.2 secs Computing kpt #: 212 total cpu time spent up to now is 100.6 secs Computing kpt #: 213 total cpu time spent up to now is 101.5 secs Computing kpt #: 214 total cpu time spent up to now is 102.0 secs Computing kpt #: 215 total cpu time spent up to now is 102.5 secs Computing kpt #: 216 total cpu time spent up to now is 102.9 secs Computing kpt #: 217 total cpu time spent up to now is 103.4 secs Computing kpt #: 218 total cpu time spent up to now is 103.9 secs Computing kpt #: 219 total cpu time spent up to now is 104.4 secs Computing kpt #: 220 total cpu time spent up to now is 104.8 secs Computing kpt #: 221 total cpu time spent up to now is 105.3 secs Computing kpt #: 222 total cpu time spent up to now is 105.8 secs Computing kpt #: 223 total cpu time spent up to now is 106.2 secs Computing kpt #: 224 total cpu time spent up to now is 106.7 secs Computing kpt #: 225 total cpu time spent up to now is 107.2 secs Computing kpt #: 226 total cpu time spent up to now is 107.6 secs Computing kpt #: 227 total cpu time spent up to now is 108.1 secs Computing kpt #: 228 total cpu time spent up to now is 108.6 secs Computing kpt #: 229 total cpu time spent up to now is 109.0 secs Computing kpt #: 230 total cpu time spent up to now is 109.4 secs Computing kpt #: 231 total cpu time spent up to now is 109.8 secs Computing kpt #: 232 total cpu time spent up to now is 110.2 secs Computing kpt #: 233 total cpu time spent up to now is 110.7 secs Computing kpt #: 234 total cpu time spent up to now is 111.1 secs Computing kpt #: 235 total cpu time spent up to now is 111.5 secs Computing kpt #: 236 total cpu time spent up to now is 111.9 secs Computing kpt #: 237 total cpu time spent up to now is 112.3 secs Computing kpt #: 238 total cpu time spent up to now is 112.7 secs Computing kpt #: 239 total cpu time spent up to now is 113.1 secs Computing kpt #: 240 total cpu time spent up to now is 113.6 secs Computing kpt #: 241 total cpu time spent up to now is 114.0 secs Computing kpt #: 242 total cpu time spent up to now is 114.4 secs Computing kpt #: 243 total cpu time spent up to now is 114.8 secs Computing kpt #: 244 total cpu time spent up to now is 115.3 secs Computing kpt #: 245 total cpu time spent up to now is 115.7 secs Computing kpt #: 246 total cpu time spent up to now is 116.2 secs Computing kpt #: 247 total cpu time spent up to now is 116.6 secs Computing kpt #: 248 total cpu time spent up to now is 117.1 secs Computing kpt #: 249 total cpu time spent up to now is 117.6 secs Computing kpt #: 250 total cpu time spent up to now is 118.0 secs Computing kpt #: 251 total cpu time spent up to now is 118.5 secs Computing kpt #: 252 total cpu time spent up to now is 119.0 secs Computing kpt #: 253 total cpu time spent up to now is 119.4 secs Computing kpt #: 254 total cpu time spent up to now is 119.9 secs Computing kpt #: 255 total cpu time spent up to now is 120.3 secs Computing kpt #: 256 total cpu time spent up to now is 120.8 secs Computing kpt #: 257 total cpu time spent up to now is 121.2 secs Computing kpt #: 258 total cpu time spent up to now is 121.7 secs Computing kpt #: 259 total cpu time spent up to now is 122.2 secs Computing kpt #: 260 total cpu time spent up to now is 122.6 secs Computing kpt #: 261 total cpu time spent up to now is 123.1 secs Computing kpt #: 262 total cpu time spent up to now is 123.5 secs Computing kpt #: 263 total cpu time spent up to now is 124.0 secs Computing kpt #: 264 total cpu time spent up to now is 124.4 secs Computing kpt #: 265 total cpu time spent up to now is 124.9 secs Computing kpt #: 266 total cpu time spent up to now is 125.3 secs Computing kpt #: 267 total cpu time spent up to now is 125.8 secs Computing kpt #: 268 total cpu time spent up to now is 126.1 secs Computing kpt #: 269 total cpu time spent up to now is 126.5 secs Computing kpt #: 270 total cpu time spent up to now is 126.9 secs Computing kpt #: 271 total cpu time spent up to now is 127.3 secs Computing kpt #: 272 total cpu time spent up to now is 127.7 secs Computing kpt #: 273 total cpu time spent up to now is 128.1 secs Computing kpt #: 274 total cpu time spent up to now is 128.5 secs Computing kpt #: 275 total cpu time spent up to now is 128.9 secs Computing kpt #: 276 total cpu time spent up to now is 129.4 secs Computing kpt #: 277 total cpu time spent up to now is 129.8 secs Computing kpt #: 278 total cpu time spent up to now is 130.2 secs Computing kpt #: 279 total cpu time spent up to now is 130.7 secs Computing kpt #: 280 total cpu time spent up to now is 131.2 secs Computing kpt #: 281 total cpu time spent up to now is 131.6 secs Computing kpt #: 282 total cpu time spent up to now is 132.1 secs Computing kpt #: 283 total cpu time spent up to now is 132.5 secs Computing kpt #: 284 total cpu time spent up to now is 133.0 secs Computing kpt #: 285 total cpu time spent up to now is 133.4 secs Computing kpt #: 286 total cpu time spent up to now is 133.9 secs Computing kpt #: 287 total cpu time spent up to now is 134.4 secs Computing kpt #: 288 total cpu time spent up to now is 134.9 secs Computing kpt #: 289 total cpu time spent up to now is 135.3 secs Computing kpt #: 290 total cpu time spent up to now is 135.7 secs Computing kpt #: 291 total cpu time spent up to now is 136.2 secs Computing kpt #: 292 total cpu time spent up to now is 136.7 secs Computing kpt #: 293 total cpu time spent up to now is 137.1 secs Computing kpt #: 294 total cpu time spent up to now is 137.6 secs Computing kpt #: 295 total cpu time spent up to now is 138.0 secs Computing kpt #: 296 total cpu time spent up to now is 138.4 secs Computing kpt #: 297 total cpu time spent up to now is 138.9 secs Computing kpt #: 298 total cpu time spent up to now is 139.4 secs Computing kpt #: 299 total cpu time spent up to now is 139.8 secs Computing kpt #: 300 total cpu time spent up to now is 140.2 secs Computing kpt #: 301 total cpu time spent up to now is 140.7 secs Computing kpt #: 302 total cpu time spent up to now is 141.2 secs Computing kpt #: 303 total cpu time spent up to now is 141.6 secs Computing kpt #: 304 total cpu time spent up to now is 142.1 secs Computing kpt #: 305 total cpu time spent up to now is 142.6 secs Computing kpt #: 306 total cpu time spent up to now is 143.0 secs Computing kpt #: 307 total cpu time spent up to now is 143.5 secs Computing kpt #: 308 total cpu time spent up to now is 144.0 secs Computing kpt #: 309 total cpu time spent up to now is 144.4 secs Computing kpt #: 310 total cpu time spent up to now is 144.9 secs Computing kpt #: 311 total cpu time spent up to now is 145.4 secs Computing kpt #: 312 total cpu time spent up to now is 145.8 secs Computing kpt #: 313 total cpu time spent up to now is 146.3 secs Computing kpt #: 314 total cpu time spent up to now is 146.8 secs Computing kpt #: 315 total cpu time spent up to now is 147.3 secs Computing kpt #: 316 total cpu time spent up to now is 147.8 secs Computing kpt #: 317 total cpu time spent up to now is 148.3 secs Computing kpt #: 318 total cpu time spent up to now is 148.8 secs Computing kpt #: 319 total cpu time spent up to now is 149.3 secs Computing kpt #: 320 total cpu time spent up to now is 149.8 secs ethr = 4.55E-08, avg # of iterations = 16.7 total cpu time spent up to now is 149.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8441 PWs) bands (ev): -39.7693 -39.7693 -39.5914 -39.5914 -3.1963 -3.1963 1.5928 1.5928 1.5928 1.5928 1.8606 1.8606 2.4086 2.4086 2.4086 2.4086 7.3416 7.3416 7.8794 7.8794 7.8794 7.8794 7.9377 7.9377 9.5861 9.5861 9.7581 9.7581 9.7581 9.7581 k = 0.0104-0.0060 0.0085 ( 8501 PWs) bands (ev): -39.7694 -39.7694 -39.5914 -39.5914 -3.1955 -3.1955 1.5917 1.5917 1.5941 1.5941 1.8608 1.8608 2.4068 2.4068 2.4101 2.4101 7.3306 7.3306 7.8095 7.8095 7.8697 7.8697 8.0113 8.0113 9.5921 9.5921 9.7610 9.7610 9.7652 9.7652 k = 0.0208-0.0120 0.0170 ( 8493 PWs) bands (ev): -39.7694 -39.7694 -39.5914 -39.5914 -3.1929 -3.1929 1.5909 1.5909 1.5956 1.5956 1.8611 1.8611 2.4048 2.4048 2.4115 2.4115 7.2981 7.2981 7.7209 7.7209 7.8412 7.8412 8.1106 8.1106 9.6082 9.6082 9.7707 9.7707 9.7860 9.7860 k = 0.0312-0.0180 0.0255 ( 8505 PWs) bands (ev): -39.7694 -39.7694 -39.5914 -39.5914 -3.1886 -3.1886 1.5902 1.5902 1.5975 1.5975 1.8618 1.8618 2.4024 2.4024 2.4128 2.4128 7.2463 7.2463 7.6343 7.6343 7.7957 7.7957 8.2133 8.2133 9.6288 9.6288 9.7911 9.7911 9.8199 9.8199 k = 0.0417-0.0241 0.0340 ( 8505 PWs) bands (ev): -39.7693 -39.7693 -39.5914 -39.5914 -3.1825 -3.1825 1.5896 1.5896 1.5998 1.5998 1.8626 1.8626 2.3997 2.3997 2.4140 2.4140 7.1785 7.1785 7.5495 7.5495 7.7356 7.7356 8.3175 8.3175 9.6468 9.6468 9.8264 9.8264 9.8660 9.8660 k = 0.0521-0.0301 0.0425 ( 8504 PWs) bands (ev): -39.7693 -39.7693 -39.5914 -39.5914 -3.1748 -3.1748 1.5892 1.5892 1.6024 1.6024 1.8638 1.8638 2.3965 2.3965 2.4153 2.4153 7.0983 7.0983 7.4648 7.4648 7.6637 7.6637 8.4220 8.4220 9.6587 9.6587 9.8775 9.8775 9.9231 9.9231 k = 0.0625-0.0361 0.0510 ( 8496 PWs) bands (ev): -39.7693 -39.7693 -39.5914 -39.5914 -3.1653 -3.1653 1.5888 1.5888 1.6054 1.6054 1.8653 1.8653 2.3930 2.3930 2.4166 2.4166 7.0093 7.0093 7.3789 7.3789 7.5824 7.5824 8.5259 8.5259 9.6654 9.6654 9.9407 9.9407 9.9902 9.9902 k = 0.0729-0.0421 0.0595 ( 8496 PWs) bands (ev): -39.7693 -39.7693 -39.5915 -39.5915 -3.1542 -3.1542 1.5884 1.5884 1.6088 1.6088 1.8671 1.8671 2.3890 2.3890 2.4180 2.4180 6.9141 6.9141 7.2909 7.2909 7.4939 7.4939 8.6280 8.6280 9.6691 9.6691 10.0117 10.0117 10.0661 10.0661 k = 0.0833-0.0481 0.0680 ( 8500 PWs) bands (ev): -39.7693 -39.7693 -39.5915 -39.5915 -3.1415 -3.1415 1.5880 1.5880 1.6126 1.6126 1.8692 1.8692 2.3846 2.3846 2.4195 2.4195 6.8146 6.8146 7.2003 7.2003 7.4000 7.4000 8.7268 8.7268 9.6717 9.6717 10.0876 10.0876 10.1490 10.1490 k = 0.0938-0.0541 0.0765 ( 8500 PWs) bands (ev): -39.7693 -39.7693 -39.5915 -39.5915 -3.1271 -3.1271 1.5876 1.5876 1.6168 1.6168 1.8717 1.8717 2.3798 2.3798 2.4212 2.4212 6.7120 6.7120 7.1074 7.1074 7.3020 7.3020 8.8209 8.8209 9.6745 9.6745 10.1669 10.1669 10.2372 10.2372 k = 0.1042-0.0601 0.0851 ( 8512 PWs) bands (ev): -39.7693 -39.7693 -39.5915 -39.5915 -3.1111 -3.1111 1.5871 1.5871 1.6216 1.6216 1.8746 1.8746 2.3747 2.3747 2.4230 2.4230 6.6073 6.6073 7.0122 7.0122 7.2012 7.2012 8.9083 8.9083 9.6783 9.6783 10.2487 10.2487 10.3290 10.3290 k = 0.1146-0.0662 0.0936 ( 8508 PWs) bands (ev): -39.7692 -39.7692 -39.5915 -39.5915 -3.0935 -3.0935 1.5865 1.5865 1.6267 1.6267 1.8779 1.8779 2.3693 2.3693 2.4249 2.4249 6.5009 6.5009 6.9153 6.9153 7.0985 7.0985 8.9868 8.9868 9.6834 9.6834 10.3323 10.3323 10.4232 10.4232 k = 0.1250-0.0722 0.1021 ( 8508 PWs) bands (ev): -39.7692 -39.7692 -39.5915 -39.5915 -3.0744 -3.0744 1.5858 1.5858 1.6324 1.6324 1.8816 1.8816 2.3636 2.3636 2.4270 2.4270 6.3933 6.3933 6.8171 6.8171 6.9946 6.9946 9.0544 9.0544 9.6889 9.6889 10.4169 10.4169 10.5188 10.5188 k = 0.1354-0.0782 0.1106 ( 8500 PWs) bands (ev): -39.7692 -39.7692 -39.5916 -39.5916 -3.0538 -3.0538 1.5849 1.5849 1.6385 1.6385 1.8858 1.8858 2.3578 2.3578 2.4292 2.4292 6.2848 6.2848 6.7179 6.7179 6.8901 6.8901 9.1093 9.1093 9.6922 9.6922 10.5012 10.5012 10.6152 10.6152 k = 0.1458-0.0842 0.1191 ( 8476 PWs) bands (ev): -39.7691 -39.7691 -39.5916 -39.5916 -3.0317 -3.0317 1.5838 1.5838 1.6451 1.6451 1.8905 1.8905 2.3519 2.3519 2.4316 2.4316 6.1754 6.1754 6.6181 6.6181 6.7855 6.7855 9.1512 9.1512 9.6892 9.6892 10.5824 10.5824 10.7117 10.7117 k = 0.1562-0.0902 0.1276 ( 8480 PWs) bands (ev): -39.7691 -39.7691 -39.5916 -39.5916 -3.0082 -3.0082 1.5825 1.5825 1.6521 1.6521 1.8956 1.8956 2.3459 2.3459 2.4342 2.4342 6.0654 6.0654 6.5182 6.5182 6.6811 6.6811 9.1804 9.1804 9.6749 9.6749 10.6530 10.6530 10.7990 10.7990 k = 0.1667-0.0962 0.1361 ( 8464 PWs) bands (ev): -39.7691 -39.7691 -39.5916 -39.5916 -2.9834 -2.9834 1.5809 1.5809 1.6597 1.6597 1.9013 1.9013 2.3400 2.3400 2.4369 2.4369 5.9548 5.9548 6.4183 6.4183 6.5773 6.5773 9.1986 9.1986 9.6455 9.6455 10.7071 10.7071 10.8533 10.8533 k = 0.1771-0.1022 0.1446 ( 8480 PWs) bands (ev): -39.7691 -39.7691 -39.5916 -39.5916 -2.9573 -2.9573 1.5791 1.5791 1.6677 1.6677 1.9075 1.9075 2.3343 2.3343 2.4398 2.4398 5.8438 5.8438 6.3189 6.3189 6.4745 6.4745 9.2076 9.2076 9.6009 9.6009 10.7593 10.7593 10.9335 10.9335 k = 0.1875-0.1083 0.1531 ( 8472 PWs) bands (ev): -39.7690 -39.7690 -39.5917 -39.5917 -2.9299 -2.9299 1.5769 1.5769 1.6762 1.6762 1.9141 1.9141 2.3288 2.3288 2.4429 2.4429 5.7325 5.7325 6.2201 6.2201 6.3727 6.3727 9.2088 9.2088 9.5438 9.5438 10.8241 10.8241 11.0282 11.0282 k = 0.1979-0.1143 0.1616 ( 8464 PWs) bands (ev): -39.7690 -39.7690 -39.5917 -39.5917 -2.9014 -2.9014 1.5744 1.5744 1.6852 1.6852 1.9213 1.9213 2.3237 2.3237 2.4461 2.4461 5.6209 5.6209 6.1222 6.1222 6.2723 6.2723 9.2030 9.2030 9.4789 9.4789 10.9028 10.9028 11.1314 11.1314 k = 0.2083-0.1203 0.1701 ( 8476 PWs) bands (ev): -39.7690 -39.7690 -39.5917 -39.5917 -2.8718 -2.8718 1.5715 1.5715 1.6946 1.6946 1.9289 1.9289 2.3190 2.3190 2.4496 2.4496 5.5092 5.5092 6.0254 6.0254 6.1733 6.1733 9.1899 9.1899 9.4115 9.4115 10.9925 10.9925 11.2412 11.2412 k = 0.2188-0.1263 0.1786 ( 8464 PWs) bands (ev): -39.7689 -39.7689 -39.5917 -39.5917 -2.8412 -2.8412 1.5683 1.5683 1.7045 1.7045 1.9370 1.9370 2.3149 2.3149 2.4532 2.4532 5.3975 5.3975 5.9299 5.9299 6.0761 6.0761 9.1670 9.1670 9.3478 9.3478 11.0899 11.0899 11.3574 11.3574 k = 0.2292-0.1323 0.1871 ( 8480 PWs) bands (ev): -39.7689 -39.7689 -39.5918 -39.5918 -2.8096 -2.8096 1.5647 1.5647 1.7149 1.7149 1.9454 1.9454 2.3114 2.3114 2.4570 2.4570 5.2860 5.2860 5.8359 5.8359 5.9806 5.9806 9.1302 9.1302 9.2952 9.2952 11.1921 11.1921 11.4796 11.4796 k = 0.2396-0.1383 0.1956 ( 8472 PWs) bands (ev): -39.7688 -39.7688 -39.5918 -39.5918 -2.7773 -2.7773 1.5606 1.5606 1.7258 1.7258 1.9542 1.9542 2.3088 2.3088 2.4610 2.4610 5.1747 5.1747 5.7434 5.7434 5.8872 5.8872 9.0777 9.0777 9.2573 9.2573 11.2974 11.2974 11.6032 11.6032 k = 0.2500-0.1443 0.2041 ( 8468 PWs) bands (ev): -39.7688 -39.7688 -39.5918 -39.5918 -2.7442 -2.7442 1.5561 1.5561 1.7371 1.7371 1.9633 1.9633 2.3071 2.3071 2.4652 2.4652 5.0640 5.0640 5.6528 5.6528 5.7958 5.7958 9.0143 9.0143 9.2308 9.2308 11.4045 11.4045 11.7122 11.7122 k = 0.2604-0.1504 0.2126 ( 8484 PWs) bands (ev): -39.7688 -39.7688 -39.5918 -39.5918 -2.7106 -2.7106 1.5512 1.5512 1.7488 1.7488 1.9727 1.9727 2.3064 2.3064 2.4697 2.4697 4.9539 4.9539 5.5641 5.5641 5.7066 5.7066 8.9463 8.9463 9.2107 9.2107 11.5128 11.5128 11.8186 11.8186 k = 0.2708-0.1564 0.2211 ( 8500 PWs) bands (ev): -39.7688 -39.7688 -39.5919 -39.5919 -2.6764 -2.6764 1.5458 1.5458 1.7610 1.7610 1.9822 1.9822 2.3069 2.3069 2.4743 2.4743 4.8446 4.8446 5.4774 5.4774 5.6198 5.6198 8.8775 8.8775 9.1939 9.1939 11.6220 11.6220 11.9260 11.9260 k = 0.2812-0.1624 0.2296 ( 8496 PWs) bands (ev): -39.7687 -39.7687 -39.5919 -39.5919 -2.6419 -2.6419 1.5400 1.5400 1.7737 1.7737 1.9918 1.9918 2.3085 2.3085 2.4792 2.4792 4.7365 4.7365 5.3929 5.3929 5.5354 5.5354 8.8099 8.8099 9.1788 9.1788 11.7323 11.7323 12.0350 12.0350 k = 0.2917-0.1684 0.2381 ( 8504 PWs) bands (ev): -39.7687 -39.7687 -39.5919 -39.5919 -2.6072 -2.6072 1.5338 1.5338 1.7867 1.7867 2.0014 2.0014 2.3114 2.3114 2.4843 2.4843 4.6296 4.6296 5.3107 5.3107 5.4536 5.4536 8.7445 8.7445 9.1649 9.1649 11.8435 11.8435 12.1455 12.1455 k = 0.3021-0.1744 0.2467 ( 8512 PWs) bands (ev): -39.7687 -39.7687 -39.5920 -39.5920 -2.5725 -2.5725 1.5271 1.5271 1.8002 1.8002 2.0109 2.0109 2.3156 2.3156 2.4897 2.4897 4.5242 4.5242 5.2310 5.2310 5.3745 5.3745 8.6818 8.6818 9.1519 9.1519 11.9558 11.9558 12.2578 12.2578 k = 0.3125-0.1804 0.2552 ( 8500 PWs) bands (ev): -39.7686 -39.7686 -39.5920 -39.5920 -2.5378 -2.5378 1.5201 1.5201 1.8141 1.8141 2.0204 2.0204 2.3212 2.3212 2.4953 2.4953 4.4206 4.4206 5.1538 5.1538 5.2982 5.2982 8.6223 8.6223 9.1396 9.1396 12.0691 12.0691 12.3717 12.3717 k = 0.3229-0.1864 0.2637 ( 8480 PWs) bands (ev): -39.7686 -39.7686 -39.5920 -39.5920 -2.5034 -2.5034 1.5127 1.5127 1.8284 1.8284 2.0296 2.0296 2.3280 2.3280 2.5012 2.5012 4.3190 4.3190 5.0793 5.0793 5.2249 5.2249 8.5661 8.5661 9.1279 9.1279 12.1837 12.1837 12.4873 12.4873 k = 0.3333-0.1925 0.2722 ( 8480 PWs) bands (ev): -39.7686 -39.7686 -39.5920 -39.5920 -2.4695 -2.4695 1.5051 1.5051 1.8430 1.8430 2.0385 2.0385 2.3362 2.3362 2.5075 2.5075 4.2196 4.2196 5.0077 5.0077 5.1546 5.1546 8.5132 8.5132 9.1168 9.1168 12.2994 12.2994 12.6045 12.6045 k = 0.3438-0.1985 0.2807 ( 8488 PWs) bands (ev): -39.7685 -39.7685 -39.5920 -39.5920 -2.4362 -2.4362 1.4972 1.4972 1.8580 1.8580 2.0470 2.0470 2.3455 2.3455 2.5141 2.5141 4.1228 4.1228 4.9390 4.9390 5.0875 5.0875 8.4638 8.4638 9.1064 9.1064 12.4161 12.4161 12.7233 12.7233 k = 0.3542-0.2045 0.2892 ( 8480 PWs) bands (ev): -39.7685 -39.7685 -39.5921 -39.5921 -2.4036 -2.4036 1.4891 1.4891 1.8733 1.8733 2.0551 2.0551 2.3559 2.3559 2.5210 2.5210 4.0288 4.0288 4.8736 4.8736 5.0238 5.0238 8.4178 8.4178 9.0966 9.0966 12.5337 12.5337 12.8435 12.8435 k = 0.3646-0.2105 0.2977 ( 8484 PWs) bands (ev): -39.7685 -39.7685 -39.5921 -39.5921 -2.3721 -2.3721 1.4810 1.4810 1.8889 1.8889 2.0627 2.0627 2.3673 2.3673 2.5284 2.5284 3.9379 3.9379 4.8114 4.8114 4.9636 4.9636 8.3753 8.3753 9.0874 9.0874 12.6521 12.6521 12.9650 12.9650 k = 0.3750-0.2165 0.3062 ( 8484 PWs) bands (ev): -39.7684 -39.7684 -39.5921 -39.5921 -2.3418 -2.3418 1.4728 1.4728 1.9046 1.9046 2.0696 2.0696 2.3795 2.3795 2.5362 2.5362 3.8504 3.8504 4.7526 4.7526 4.9069 4.9069 8.3361 8.3361 9.0788 9.0788 12.7710 12.7710 13.0875 13.0875 k = 0.3854-0.2225 0.3147 ( 8472 PWs) bands (ev): -39.7684 -39.7684 -39.5921 -39.5921 -2.3130 -2.3130 1.4648 1.4648 1.9205 1.9205 2.0759 2.0759 2.3922 2.3922 2.5445 2.5445 3.7666 3.7666 4.6976 4.6976 4.8541 4.8541 8.3003 8.3003 9.0709 9.0709 12.8901 12.8901 13.2108 13.2108 k = 0.3958-0.2285 0.3232 ( 8480 PWs) bands (ev): -39.7684 -39.7684 -39.5921 -39.5921 -2.2857 -2.2857 1.4570 1.4570 1.9365 1.9365 2.0813 2.0813 2.4053 2.4053 2.5533 2.5533 3.6868 3.6868 4.6464 4.6464 4.8051 4.8051 8.2678 8.2678 9.0637 9.0637 13.0087 13.0087 13.3344 13.3344 k = 0.4062-0.2345 0.3317 ( 8472 PWs) bands (ev): -39.7684 -39.7684 -39.5921 -39.5921 -2.2603 -2.2603 1.4495 1.4495 1.9524 1.9524 2.0859 2.0859 2.4184 2.4184 2.5626 2.5626 3.6115 3.6115 4.5992 4.5992 4.7602 4.7602 8.2386 8.2386 9.0571 9.0571 13.1263 13.1263 13.4577 13.4577 k = 0.4167-0.2406 0.3402 ( 8476 PWs) bands (ev): -39.7684 -39.7684 -39.5922 -39.5922 -2.2369 -2.2369 1.4424 1.4424 1.9680 1.9680 2.0895 2.0895 2.4312 2.4312 2.5725 2.5725 3.5410 3.5410 4.5562 4.5562 4.7196 4.7196 8.2126 8.2126 9.0512 9.0512 13.2420 13.2420 13.5800 13.5800 k = 0.4271-0.2466 0.3487 ( 8484 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.2157 -2.2157 1.4358 1.4358 1.9834 1.9834 2.0920 2.0920 2.4434 2.4434 2.5829 2.5829 3.4759 3.4759 4.5177 4.5177 4.6833 4.6833 8.1898 8.1898 9.0460 9.0460 13.3545 13.3545 13.7001 13.7001 k = 0.4375-0.2526 0.3572 ( 8484 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1970 -2.1970 1.4299 1.4299 1.9982 1.9982 2.0933 2.0933 2.4547 2.4547 2.5936 2.5936 3.4168 3.4168 4.4839 4.4839 4.6515 4.6515 8.1701 8.1701 9.0415 9.0415 13.4623 13.4623 13.8166 13.8166 k = 0.4479-0.2586 0.3657 ( 8496 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1808 -2.1808 1.4247 1.4247 2.0124 2.0124 2.0935 2.0935 2.4648 2.4648 2.6045 2.6045 3.3642 3.3642 4.4548 4.4548 4.6243 4.6243 8.1535 8.1535 9.0376 9.0376 13.5632 13.5632 13.9272 13.9272 k = 0.4583-0.2646 0.3742 ( 8488 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1673 -2.1673 1.4203 1.4203 2.0256 2.0256 2.0923 2.0923 2.4733 2.4733 2.6149 2.6149 3.3192 3.3192 4.4308 4.4308 4.6019 4.6019 8.1400 8.1400 9.0345 9.0345 13.6544 13.6544 14.0290 14.0290 k = 0.4688-0.2706 0.3827 ( 8492 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1567 -2.1567 1.4168 1.4168 2.0377 2.0377 2.0898 2.0898 2.4801 2.4801 2.6244 2.6244 3.2826 3.2826 4.4119 4.4119 4.5844 4.5844 8.1295 8.1295 9.0320 9.0320 13.7322 13.7322 14.1177 14.1177 k = 0.4792-0.2766 0.3912 ( 8496 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1491 -2.1491 1.4143 1.4143 2.0483 2.0483 2.0863 2.0863 2.4851 2.4851 2.6320 2.6320 3.2554 3.2554 4.3983 4.3983 4.5718 4.5718 8.1220 8.1220 9.0303 9.0303 13.7924 13.7924 14.1879 14.1879 k = 0.4896-0.2827 0.3997 ( 8480 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1444 -2.1444 1.4127 1.4127 2.0565 2.0565 2.0824 2.0824 2.4881 2.4881 2.6370 2.6370 3.2386 3.2386 4.3901 4.3901 4.5642 4.5642 8.1175 8.1175 9.0292 9.0292 13.8309 13.8309 14.2336 14.2336 k = 0.5000-0.2887 0.4082 ( 8480 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1429 -2.1429 1.4122 1.4122 2.0601 2.0601 2.0802 2.0802 2.4891 2.4891 2.6387 2.6387 3.2329 3.2329 4.3874 4.3874 4.5617 4.5617 8.1160 8.1160 9.0289 9.0289 13.8441 13.8441 14.2495 14.2495 k = 0.5000-0.2887 0.4082 ( 8480 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1429 -2.1429 1.4122 1.4122 2.0601 2.0601 2.0802 2.0802 2.4891 2.4891 2.6387 2.6387 3.2329 3.2329 4.3874 4.3874 4.5617 4.5617 8.1160 8.1160 9.0289 9.0289 13.8441 13.8441 14.2495 14.2495 k = 0.5000-0.2766 0.4168 ( 8480 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1431 -2.1428 1.4111 1.4150 2.0483 2.0683 2.0811 2.0831 2.4777 2.5004 2.6387 2.6392 3.2288 3.2342 4.3818 4.3913 4.5587 4.5626 8.1186 8.1225 9.0313 9.0357 13.8266 13.8436 14.2364 14.2404 k = 0.5000-0.2646 0.4253 ( 8490 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1434 -2.1427 1.4116 1.4196 2.0359 2.0681 2.0865 2.0902 2.4663 2.5113 2.6388 2.6404 3.2219 3.2327 4.3747 4.3935 4.5538 4.5614 8.1301 8.1380 9.0429 9.0518 13.7907 13.8214 14.2030 14.2155 k = 0.5000-0.2526 0.4338 ( 8498 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1436 -2.1426 1.4139 1.4258 2.0234 2.0652 2.0901 2.1020 2.4550 2.5214 2.6392 2.6425 3.2125 3.2286 4.3659 4.3937 4.5471 4.5586 8.1506 8.1622 9.0636 9.0769 13.7327 13.7706 14.1577 14.1870 k = 0.5000-0.2406 0.4423 ( 8496 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1440 -2.1426 1.4177 1.4337 2.0111 2.0617 2.0938 2.1140 2.4441 2.5303 2.6396 2.6459 3.2005 3.2220 4.3552 4.3917 4.5392 4.5543 8.1799 8.1952 9.0933 9.1109 13.6486 13.6870 14.1107 14.1656 k = 0.5000-0.2285 0.4508 ( 8480 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1444 -2.1427 1.4232 1.4434 1.9989 2.0581 2.0975 2.1256 2.4335 2.5376 2.6400 2.6511 3.1863 3.2132 4.3426 4.3872 4.5304 4.5493 8.2178 8.2364 9.1318 9.1537 13.5381 13.5735 14.0684 14.1550 k = 0.5000-0.2165 0.4593 ( 8476 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1448 -2.1428 1.4302 1.4546 1.9870 2.0545 2.1011 2.1366 2.4234 2.5428 2.6405 2.6584 3.1702 3.2023 4.3278 4.3797 4.5213 4.5439 8.2640 8.2858 9.1788 9.2049 13.4051 13.4372 14.0316 14.1535 k = 0.5000-0.2045 0.4678 ( 8490 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1452 -2.1429 1.4386 1.4675 1.9753 2.0510 2.1046 2.1466 2.4139 2.5457 2.6408 2.6678 3.1524 3.1898 4.3107 4.3690 4.5123 4.5389 8.3182 8.3429 9.2341 9.2643 13.2556 13.2852 13.9971 14.1581 k = 0.5000-0.1925 0.4763 ( 8504 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1457 -2.1431 1.4486 1.4820 1.9638 2.0475 2.1081 2.1554 2.4050 2.5463 2.6412 2.6792 3.1332 3.1761 4.2914 4.3552 4.5038 4.5345 8.3800 8.4074 9.2973 9.3315 13.0947 13.1226 13.9604 14.1669 k = 0.5000-0.1804 0.4848 ( 8486 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1462 -2.1433 1.4598 1.4980 1.9525 2.0441 2.1115 2.1625 2.3969 2.5450 2.6414 2.6924 3.1131 3.1616 4.2700 4.3384 4.4961 4.5309 8.4492 8.4789 9.3679 9.4061 12.9263 12.9534 13.9156 14.1776 k = 0.5000-0.1684 0.4933 ( 8482 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1467 -2.1435 1.4723 1.5155 1.9415 2.0409 2.1149 2.1675 2.3899 2.5418 2.6415 2.7069 3.0925 3.1466 4.2468 4.3191 4.4893 4.5282 8.5252 8.5571 9.4456 9.4878 12.7533 12.7800 13.8553 14.0991 k = 0.5000-0.1564 0.5018 ( 8486 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1472 -2.1437 1.4860 1.5344 1.9306 2.0377 2.1181 2.1701 2.3839 2.5371 2.6416 2.7223 3.0717 3.1317 4.2222 4.2977 4.4834 4.5262 8.6077 8.6414 9.5297 9.5759 12.5778 12.6045 13.7722 13.9421 k = 0.5000-0.1443 0.5103 ( 8494 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1478 -2.1440 1.5006 1.5546 1.9198 2.0348 2.1213 2.1699 2.3793 2.5310 2.6416 2.7383 3.0511 3.1172 4.1966 4.2748 4.4784 4.5249 8.6962 8.7315 9.6198 9.6700 12.4014 12.4283 13.6643 13.7796 k = 0.5000-0.1323 0.5188 ( 8494 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1483 -2.1443 1.5162 1.5760 1.9091 2.0319 2.1243 2.1667 2.3760 2.5239 2.6415 2.7546 3.0311 3.1036 4.1706 4.2511 4.4742 4.5240 8.7903 8.8270 9.7150 9.7694 12.2253 12.2524 13.5360 13.6140 k = 0.5000-0.1203 0.5273 ( 8508 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1488 -2.1445 1.5324 1.5984 1.8986 2.0293 2.1273 2.1605 2.3740 2.5158 2.6413 2.7709 3.0120 3.0910 4.1446 4.2271 4.4707 4.5234 8.8895 8.9273 9.8147 9.8735 12.0506 12.0779 13.3944 13.4471 k = 0.5000-0.1083 0.5358 ( 8516 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1492 -2.1448 1.5492 1.6217 1.8880 2.0267 2.1301 2.1512 2.3732 2.5070 2.6410 2.7869 2.9941 3.0798 4.1192 4.2034 4.4678 4.5231 8.9932 9.0319 9.9179 9.9814 11.8782 11.9057 13.2457 13.2808 k = 0.5000-0.0962 0.5443 ( 8502 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1497 -2.1450 1.5664 1.6456 1.8775 2.0243 2.1329 2.1393 2.3732 2.4978 2.6407 2.8023 2.9776 3.0702 4.0948 4.1804 4.4654 4.5230 9.1008 9.1402 10.0233 10.0920 11.7091 11.7366 13.0948 13.1166 k = 0.5000-0.0842 0.5528 ( 8510 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1501 -2.1453 1.5835 1.6699 1.8670 2.0220 2.1252 2.1354 2.3738 2.4883 2.6404 2.8168 2.9629 3.0621 4.0720 4.1588 4.4635 4.5229 9.2114 9.2513 10.1294 10.2039 11.5442 11.5716 12.9454 12.9564 k = 0.5000-0.0722 0.5613 ( 8500 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1504 -2.1455 1.6004 1.6943 1.8566 2.0196 2.1095 2.1378 2.3747 2.4791 2.6401 2.8302 2.9499 3.0555 4.0511 4.1389 4.4619 4.5229 9.3238 9.3642 10.2342 10.3155 11.3852 11.4119 12.8008 12.8025 k = 0.5000-0.0601 0.5698 ( 8500 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1508 -2.1457 1.6166 1.7181 1.8464 2.0172 2.0932 2.1399 2.3758 2.4704 2.6398 2.8423 2.9388 3.0503 4.0326 4.1213 4.4607 4.5230 9.4364 9.4771 10.3349 10.4242 11.2339 11.2593 12.6575 12.6646 k = 0.5000-0.0481 0.5784 ( 8488 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1510 -2.1459 1.6316 1.7407 1.8368 2.0144 2.0772 2.1418 2.3768 2.4625 2.6395 2.8526 2.9296 3.0465 4.0168 4.1062 4.4597 4.5230 9.5465 9.5873 10.4273 10.5265 11.0937 11.1165 12.5253 12.5408 k = 0.5000-0.0361 0.5869 ( 8488 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1512 -2.1460 1.6448 1.7611 1.8280 2.0110 2.0630 2.1434 2.3777 2.4560 2.6393 2.8611 2.9223 3.0438 4.0042 4.0941 4.4590 4.5231 9.6498 9.6907 10.5058 10.6177 10.9703 10.9878 12.4107 12.4344 k = 0.5000-0.0241 0.5954 ( 8492 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1514 -2.1461 1.6554 1.7778 1.8208 2.0070 2.0522 2.1445 2.3784 2.4511 2.6391 2.8674 2.9170 3.0420 3.9950 4.0852 4.4585 4.5232 9.7389 9.7797 10.5621 10.6914 10.8735 10.8806 12.3202 12.3512 k = 0.5000-0.0120 0.6039 ( 8496 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1515 -2.1462 1.6623 1.7890 1.8160 2.0033 2.0458 2.1452 2.3788 2.4480 2.6390 2.8714 2.9137 3.0410 3.9894 4.0798 4.4582 4.5232 9.8022 9.8428 10.5890 10.7405 10.8063 10.8160 12.2614 12.2977 k = 0.5000-0.0000 0.6124 ( 8516 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1515 -2.1462 1.6647 1.7930 1.8142 2.0017 2.0438 2.1455 2.3789 2.4469 2.6390 2.8727 2.9126 3.0406 3.9875 4.0780 4.4581 4.5232 9.8256 9.8661 10.5941 10.7588 10.7782 10.7991 12.2408 12.2792 k = 0.5000-0.0000 0.6124 ( 8516 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1515 -2.1462 1.6647 1.7930 1.8142 2.0017 2.0438 2.1455 2.3789 2.4469 2.6390 2.8727 2.9126 3.0406 3.9875 4.0780 4.4581 4.5232 9.8256 9.8661 10.5941 10.7588 10.7782 10.7991 12.2408 12.2792 k = 0.4926 0.0127 0.6124 ( 8495 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1518 -2.1465 1.6635 1.7896 1.8163 2.0028 2.0445 2.1454 2.3789 2.4473 2.6388 2.8709 2.9117 3.0420 3.9871 4.0795 4.4617 4.5271 9.8102 9.8501 10.5904 10.7371 10.7927 10.8281 12.2531 12.2910 k = 0.4853 0.0255 0.6124 ( 8493 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1528 -2.1475 1.6600 1.7808 1.8218 2.0055 2.0471 2.1451 2.3792 2.4483 2.6387 2.8663 2.9088 3.0447 3.9860 4.0828 4.4733 4.5389 9.7635 9.8014 10.5874 10.7144 10.8331 10.8747 12.2876 12.3243 k = 0.4779 0.0382 0.6124 ( 8496 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1542 -2.1489 1.6545 1.7689 1.8289 2.0083 2.0522 2.1447 2.3799 2.4498 2.6387 2.8596 2.9040 3.0471 3.9843 4.0863 4.4936 4.5586 9.6888 9.7238 10.5894 10.7016 10.8904 10.9329 12.3407 12.3754 k = 0.4706 0.0509 0.6124 ( 8497 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1560 -2.1508 1.6473 1.7555 1.8369 2.0105 2.0597 2.1442 2.3812 2.4518 2.6391 2.8515 2.8975 3.0481 3.9821 4.0885 4.5227 4.5859 9.5932 9.6248 10.5943 10.6947 10.9619 11.0040 12.4087 12.4408 k = 0.4632 0.0637 0.6124 ( 8498 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1581 -2.1529 1.6389 1.7414 1.8453 2.0122 2.0691 2.1437 2.3832 2.4543 2.6400 2.8424 2.8895 3.0470 3.9798 4.0889 4.5601 4.6199 9.4841 9.5125 10.5994 10.6903 11.0455 11.0874 12.4887 12.5178 k = 0.4559 0.0764 0.6124 ( 8505 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1604 -2.1553 1.6296 1.7273 1.8538 2.0136 2.0792 2.1434 2.3857 2.4574 2.6417 2.8326 2.8802 3.0437 3.9775 4.0875 4.6043 4.6597 9.3677 9.3932 10.6031 10.6864 11.1390 11.1813 12.5775 12.6038 k = 0.4485 0.0891 0.6124 ( 8506 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1628 -2.1577 1.6199 1.7135 1.8621 2.0151 2.0889 2.1437 2.3886 2.4611 2.6441 2.8223 2.8698 3.0384 3.9753 4.0846 4.6538 4.7041 9.2488 9.2717 10.6054 10.6824 11.2405 11.2838 12.6724 12.6969 k = 0.4412 0.1019 0.6124 ( 8518 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1652 -2.1603 1.6102 1.7004 1.8701 2.0169 2.0970 2.1453 2.3916 2.4656 2.6473 2.8114 2.8587 3.0314 3.9733 4.0809 4.7068 4.7517 9.1310 9.1518 10.6062 10.6781 11.3483 11.3930 12.7692 12.7960 k = 0.4338 0.1146 0.6124 ( 8512 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1676 -2.1627 1.6007 1.6882 1.8774 2.0192 2.1024 2.1487 2.3946 2.4709 2.6515 2.8002 2.8472 3.0232 3.9715 4.0766 4.7613 4.8009 9.0173 9.0364 10.6061 10.6737 11.4609 11.5075 12.8624 12.9001 k = 0.4265 0.1274 0.6124 ( 8514 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1699 -2.1651 1.5918 1.6771 1.8841 2.0220 2.1049 2.1540 2.3974 2.4772 2.6564 2.7887 2.8354 3.0143 3.9699 4.0722 4.8155 4.8501 8.9103 8.9279 10.6053 10.6694 11.5770 11.6259 12.9435 13.0065 k = 0.4191 0.1401 0.6124 ( 8506 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1720 -2.1672 1.5836 1.6673 1.8900 2.0251 2.1050 2.1604 2.3998 2.4842 2.6622 2.7772 2.8237 3.0052 3.9686 4.0680 4.8676 4.8977 8.8121 8.8284 10.6041 10.6653 11.6955 11.7472 12.9978 13.1086 k = 0.4118 0.1528 0.6124 ( 8506 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1738 -2.1692 1.5764 1.6588 1.8950 2.0285 2.1036 2.1670 2.4018 2.4917 2.6685 2.7662 2.8121 2.9965 3.9676 4.0642 4.9158 4.9417 8.7249 8.7402 10.6028 10.6616 11.8152 11.8700 13.0066 13.1815 k = 0.4044 0.1656 0.6124 ( 8503 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1754 -2.1708 1.5703 1.6517 1.8991 2.0320 2.1014 2.1730 2.4033 2.4992 2.6750 2.7562 2.8010 2.9887 3.9668 4.0608 4.9582 4.9807 8.6504 8.6649 10.6015 10.6584 11.9345 11.9924 12.9662 13.1554 k = 0.3971 0.1783 0.6124 ( 8513 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1767 -2.1721 1.5655 1.6461 1.9023 2.0353 2.0990 2.1780 2.4045 2.5062 2.6811 2.7482 2.7904 2.9822 3.9661 4.0582 4.9932 5.0129 8.5904 8.6043 10.6003 10.6558 12.0510 12.1112 12.8951 13.0562 k = 0.3897 0.1910 0.6124 ( 8513 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1776 -2.1731 1.5619 1.6421 1.9045 2.0381 2.0968 2.1818 2.4053 2.5119 2.6860 2.7430 2.7811 2.9773 3.9657 4.0562 5.0195 5.0371 8.5464 8.5598 10.5994 10.6540 12.1600 12.2192 12.8157 12.9461 k = 0.3824 0.2038 0.6124 ( 8513 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1782 -2.1737 1.5598 1.6397 1.9059 2.0399 2.0952 2.1841 2.4057 2.5157 2.6889 2.7409 2.7742 2.9743 3.9655 4.0550 5.0357 5.0520 8.5195 8.5327 10.5989 10.6528 12.2502 12.2999 12.7517 12.8512 k = 0.3750 0.2165 0.6124 ( 8516 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1784 -2.1739 1.5591 1.6389 1.9063 2.0406 2.0947 2.1848 2.4059 2.5170 2.6898 2.7405 2.7716 2.9733 3.9654 4.0546 5.0413 5.0570 8.5104 8.5235 10.5987 10.6524 12.2916 12.3283 12.7286 12.8079 k = 0.3750 0.2165 0.6124 ( 8516 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1784 -2.1739 1.5591 1.6389 1.9063 2.0406 2.0947 2.1848 2.4059 2.5170 2.6898 2.7405 2.7716 2.9733 3.9654 4.0546 5.0413 5.0570 8.5104 8.5235 10.5987 10.6524 12.2916 12.3283 12.7286 12.8079 k = 0.3676 0.2123 0.6004 ( 8524 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1856 -2.1810 1.5719 1.6535 1.9066 2.0355 2.0970 2.1785 2.4119 2.5127 2.6558 2.7083 2.7745 2.9878 3.9576 4.0501 5.1024 5.1196 8.5263 8.5377 10.7671 10.8277 12.1817 12.2144 12.6228 12.7018 k = 0.3603 0.2080 0.5884 ( 8530 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1939 -2.1892 1.5842 1.6659 1.9084 2.0305 2.0984 2.1716 2.4170 2.5083 2.6123 2.6712 2.7917 3.0092 3.9549 4.0505 5.1660 5.1846 8.5414 8.5512 10.9348 11.0049 12.0750 12.1029 12.5198 12.5969 k = 0.3529 0.2038 0.5764 ( 8514 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.2032 -2.1985 1.5959 1.6759 1.9111 2.0260 2.0984 2.1643 2.4194 2.5033 2.5691 2.6327 2.8155 3.0354 3.9573 4.0556 5.2320 5.2517 8.5561 8.5643 11.0985 11.1819 11.9728 11.9941 12.4205 12.4937 k = 0.3456 0.1995 0.5643 ( 8514 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.2138 -2.2090 1.6069 1.6834 1.9139 2.0224 2.0966 2.1571 2.4160 2.4967 2.5322 2.5961 2.8441 3.0648 3.9649 4.0655 5.3001 5.3210 8.5704 8.5770 11.2521 11.3562 11.8775 11.8881 12.3265 12.3928 k = 0.3382 0.1953 0.5523 ( 8506 PWs) bands (ev): -39.7684 -39.7684 -39.5922 -39.5922 -2.2255 -2.2208 1.6172 1.6885 1.9155 2.0202 2.0922 2.1501 2.4021 2.4863 2.5075 2.5651 2.8770 3.0970 3.9777 4.0802 5.3703 5.3923 8.5843 8.5893 11.3839 11.5237 11.7852 11.7951 12.2409 12.2950 k = 0.3309 0.1910 0.5403 ( 8502 PWs) bands (ev): -39.7684 -39.7684 -39.5922 -39.5922 -2.2386 -2.2339 1.6267 1.6915 1.9147 2.0199 2.0847 2.1433 2.3774 2.4689 2.4964 2.5438 2.9141 3.1317 3.9956 4.0996 5.4423 5.4653 8.5980 8.6015 11.4660 11.6712 11.6933 11.7435 12.1705 12.2019 k = 0.3235 0.1868 0.5283 ( 8502 PWs) bands (ev): -39.7684 -39.7684 -39.5922 -39.5922 -2.2529 -2.2483 1.6354 1.6928 1.9106 2.0217 2.0737 2.1365 2.3483 2.4451 2.4934 2.5326 2.9555 3.1688 4.0187 4.1238 5.5161 5.5401 8.6115 8.6134 11.4644 11.5878 11.7387 11.8121 12.1188 12.1287 k = 0.3162 0.1825 0.5163 ( 8500 PWs) bands (ev): -39.7684 -39.7684 -39.5922 -39.5922 -2.2686 -2.2640 1.6434 1.6927 1.9029 2.0248 2.0588 2.1292 2.3206 2.4194 2.4936 2.5275 3.0012 3.2084 4.0471 4.1527 5.5915 5.6164 8.6248 8.6251 11.4071 11.4950 11.7331 11.8886 12.0704 12.1298 k = 0.3088 0.1783 0.5043 ( 8490 PWs) bands (ev): -39.7684 -39.7684 -39.5921 -39.5921 -2.2856 -2.2812 1.6505 1.6915 1.8921 2.0285 2.0399 2.1213 2.2972 2.3950 2.4946 2.5256 3.0511 3.2507 4.0805 4.1862 5.6683 5.6942 8.6365 8.6379 11.3329 11.4055 11.6939 11.8641 12.0952 12.1624 k = 0.3015 0.1741 0.4923 ( 8492 PWs) bands (ev): -39.7684 -39.7684 -39.5921 -39.5921 -2.3040 -2.2997 1.6569 1.6895 1.8786 2.0174 2.0318 2.1127 2.2791 2.3735 2.4954 2.5253 3.1052 3.2960 4.1191 4.2244 5.7465 5.7732 8.6478 8.6507 11.2554 11.3198 11.6327 11.7934 12.1335 12.1980 k = 0.2941 0.1698 0.4803 ( 8498 PWs) bands (ev): -39.7684 -39.7684 -39.5921 -39.5921 -2.3237 -2.3196 1.6626 1.6868 1.8630 1.9918 2.0341 2.1037 2.2660 2.3556 2.4956 2.5259 3.1636 3.3445 4.1626 4.2672 5.8258 5.8533 8.6588 8.6633 11.1786 11.2379 11.5624 11.7149 12.1471 12.2189 k = 0.2868 0.1656 0.4683 ( 8496 PWs) bands (ev): -39.7685 -39.7684 -39.5921 -39.5921 -2.3447 -2.3407 1.6675 1.6836 1.8460 1.9644 2.0350 2.0945 2.2570 2.3412 2.4950 2.5269 3.2260 3.3965 4.2111 4.3145 5.9060 5.9344 8.6695 8.6757 11.1042 11.1600 11.4892 11.6363 12.1332 12.2200 k = 0.2794 0.1613 0.4563 ( 8488 PWs) bands (ev): -39.7685 -39.7685 -39.5921 -39.5921 -2.3671 -2.3632 1.6717 1.6800 1.8280 1.9360 2.0344 2.0853 2.2513 2.3301 2.4934 2.5279 3.2924 3.4521 4.2643 4.3663 5.9871 6.0162 8.6798 8.6877 11.0330 11.0863 11.4160 11.5597 12.0955 12.2016 k = 0.2721 0.1571 0.4443 ( 8504 PWs) bands (ev): -39.7685 -39.7685 -39.5921 -39.5921 -2.3906 -2.3869 1.6753 1.6762 1.8096 1.9077 2.0325 2.0762 2.2479 2.3218 2.4909 2.5288 3.3627 3.5117 4.3222 4.4224 6.0687 6.0987 8.6897 8.6993 10.9656 11.0168 11.3441 11.4858 12.0377 12.1449 k = 0.2647 0.1528 0.4323 ( 8500 PWs) bands (ev): -39.7685 -39.7685 -39.5921 -39.5921 -2.4153 -2.4118 1.6721 1.6782 1.7911 1.8800 2.0293 2.0671 2.2463 2.3160 2.4876 2.5293 3.4368 3.5751 4.3845 4.4828 6.1507 6.1815 8.6991 8.7104 10.9021 10.9516 11.2743 11.4150 11.9613 12.0315 k = 0.2574 0.1486 0.4203 ( 8500 PWs) bands (ev): -39.7685 -39.7685 -39.5920 -39.5920 -2.4410 -2.4378 1.6678 1.6805 1.7731 1.8535 2.0252 2.0582 2.2461 2.3121 2.4835 2.5292 3.5146 3.6427 4.4513 4.5473 6.2330 6.2645 8.7079 8.7210 10.8430 10.8911 11.2072 11.3476 11.8698 11.9164 k = 0.2500 0.1443 0.4082 ( 8512 PWs) bands (ev): -39.7686 -39.7686 -39.5920 -39.5920 -2.4678 -2.4647 1.6633 1.6821 1.7557 1.8285 2.0202 2.0493 2.2469 2.3098 2.4788 2.5286 3.5959 3.7143 4.5221 4.6160 6.3152 6.3474 8.7160 8.7309 10.7884 10.8352 11.1429 11.2838 11.7694 11.8035 k = 0.2426 0.1401 0.3962 ( 8500 PWs) bands (ev): -39.7686 -39.7686 -39.5920 -39.5920 -2.4954 -2.4926 1.6587 1.6830 1.7394 1.8053 2.0146 2.0405 2.2486 2.3086 2.4735 2.5273 3.6808 3.7899 4.5970 4.6886 6.3971 6.4300 8.7233 8.7400 10.7386 10.7842 11.0816 11.2236 11.6659 11.6931 k = 0.2353 0.1358 0.3842 ( 8496 PWs) bands (ev): -39.7686 -39.7686 -39.5920 -39.5920 -2.5239 -2.5212 1.6538 1.6833 1.7242 1.7839 2.0086 2.0317 2.2510 2.3085 2.4678 2.5254 3.7690 3.8696 4.6758 4.7650 6.4785 6.5120 8.7297 8.7483 10.6937 10.7381 11.0235 11.1672 11.5621 11.5855 k = 0.2279 0.1316 0.3722 ( 8492 PWs) bands (ev): -39.7686 -39.7686 -39.5920 -39.5920 -2.5530 -2.5505 1.6487 1.6828 1.7105 1.7645 2.0021 2.0230 2.2541 2.3092 2.4618 2.5228 3.8604 3.9532 4.7583 4.8452 6.5590 6.5932 8.7351 8.7556 10.6539 10.6970 10.9684 11.1145 11.4597 11.4808 k = 0.2206 0.1274 0.3602 ( 8494 PWs) bands (ev): -39.7687 -39.7687 -39.5919 -39.5919 -2.5827 -2.5804 1.6434 1.6816 1.6981 1.7472 1.9954 2.0143 2.2577 2.3106 2.4557 2.5197 3.9551 4.0406 4.8444 4.9290 6.6385 6.6733 8.7394 8.7618 10.6193 10.6612 10.9164 11.0655 11.3595 11.3794 k = 0.2132 0.1231 0.3482 ( 8484 PWs) bands (ev): -39.7687 -39.7687 -39.5919 -39.5919 -2.6128 -2.6107 1.6380 1.6794 1.6872 1.7321 1.9884 2.0056 2.2618 2.3125 2.4495 2.5161 4.0530 4.1318 4.9338 5.0162 6.7166 6.7519 8.7425 8.7669 10.5900 10.6305 10.8673 11.0201 11.2621 11.2815 k = 0.2059 0.1189 0.3362 ( 8486 PWs) bands (ev): -39.7687 -39.7687 -39.5919 -39.5919 -2.6432 -2.6413 1.6324 1.6761 1.6776 1.7192 1.9813 1.9970 2.2663 2.3150 2.4433 2.5120 4.1539 4.2265 5.0265 5.1067 6.7930 6.8287 8.7444 8.7707 10.5661 10.6048 10.8208 10.9781 11.1681 11.1875 k = 0.1985 0.1146 0.3242 ( 8502 PWs) bands (ev): -39.7688 -39.7688 -39.5919 -39.5919 -2.6738 -2.6721 1.6269 1.6693 1.6716 1.7087 1.9740 1.9884 2.2713 2.3179 2.4372 2.5076 4.2577 4.3248 5.1223 5.2004 6.8673 6.9034 8.7449 8.7732 10.5474 10.5839 10.7765 10.9394 11.0782 11.0982 k = 0.1912 0.1104 0.3122 ( 8484 PWs) bands (ev): -39.7688 -39.7688 -39.5918 -39.5918 -2.7044 -2.7029 1.6215 1.6620 1.6660 1.7004 1.9667 1.9798 2.2766 2.3211 2.4314 2.5029 4.3645 4.4265 5.2210 5.2972 6.9394 6.9758 8.7441 8.7742 10.5334 10.5669 10.7338 10.9034 10.9934 11.0144 k = 0.1838 0.1061 0.3002 ( 8474 PWs) bands (ev): -39.7688 -39.7688 -39.5918 -39.5918 -2.7350 -2.7337 1.6164 1.6556 1.6596 1.6938 1.9594 1.9714 2.2822 2.3247 2.4259 2.4981 4.4741 4.5315 5.3225 5.3967 7.0089 7.0454 8.7418 8.7737 10.5232 10.5524 10.6921 10.8695 10.9154 10.9376 k = 0.1765 0.1019 0.2882 ( 8488 PWs) bands (ev): -39.7688 -39.7688 -39.5918 -39.5918 -2.7655 -2.7642 1.6118 1.6499 1.6531 1.6883 1.9520 1.9630 2.2881 2.3287 2.4207 2.4931 4.5865 4.6397 5.4265 5.4989 7.0755 7.1119 8.7381 8.7717 10.5147 10.5374 10.6510 10.8365 10.8479 10.8703 k = 0.1691 0.0976 0.2762 ( 8488 PWs) bands (ev): -39.7689 -39.7689 -39.5918 -39.5918 -2.7956 -2.7945 1.6076 1.6447 1.6467 1.6834 1.9448 1.9548 2.2942 2.3328 2.4159 2.4881 4.7016 4.7510 5.5329 5.6036 7.1389 7.1752 8.7329 8.7682 10.5030 10.5170 10.6116 10.7907 10.8081 10.8158 k = 0.1618 0.0934 0.2642 ( 8490 PWs) bands (ev): -39.7689 -39.7689 -39.5917 -39.5917 -2.8252 -2.8243 1.6039 1.6398 1.6408 1.6788 1.9376 1.9468 2.3006 2.3372 2.4115 2.4831 4.8193 4.8652 5.6414 5.7105 7.1990 7.2350 8.7263 8.7630 10.4800 10.4856 10.5776 10.7501 10.7780 10.7819 k = 0.1544 0.0891 0.2522 ( 8478 PWs) bands (ev): -39.7689 -39.7689 -39.5917 -39.5917 -2.8544 -2.8535 1.6007 1.6354 1.6355 1.6742 1.9306 1.9389 2.3070 2.3418 2.4077 2.4782 4.9396 4.9822 5.7519 5.8195 7.2556 7.2911 8.7183 8.7563 10.4402 10.4414 10.5506 10.7133 10.7605 10.7710 k = 0.1471 0.0849 0.2401 ( 8486 PWs) bands (ev): -39.7690 -39.7690 -39.5917 -39.5917 -2.8829 -2.8821 1.5980 1.6308 1.6311 1.6696 1.9238 1.9313 2.3136 2.3465 2.4043 2.4733 5.0623 5.1020 5.8640 5.9302 7.3085 7.3433 8.7088 8.7480 10.3878 10.3885 10.5244 10.6699 10.7638 10.7805 k = 0.1397 0.0807 0.2281 ( 8490 PWs) bands (ev): -39.7690 -39.7690 -39.5917 -39.5917 -2.9106 -2.9100 1.5957 1.6266 1.6272 1.6650 1.9173 1.9239 2.3203 2.3513 2.4013 2.4686 5.1874 5.2244 5.9776 6.0424 7.3578 7.3917 8.6979 8.7381 10.3295 10.3314 10.4944 10.6195 10.7853 10.8057 k = 0.1324 0.0764 0.2161 ( 8490 PWs) bands (ev): -39.7690 -39.7690 -39.5917 -39.5917 -2.9375 -2.9370 1.5939 1.6229 1.6234 1.6604 1.9110 1.9169 2.3269 2.3561 2.3989 2.4640 5.3147 5.3493 6.0922 6.1558 7.4033 7.4361 8.6857 8.7266 10.2698 10.2729 10.4604 10.5639 10.8210 10.8275 k = 0.1250 0.0722 0.2041 ( 8488 PWs) bands (ev): -39.7691 -39.7691 -39.5916 -39.5916 -2.9634 -2.9630 1.5924 1.6197 1.6198 1.6556 1.9051 1.9102 2.3336 2.3610 2.3970 2.4596 5.4441 5.4765 6.2077 6.2700 7.4453 7.4768 8.6721 8.7135 10.2106 10.2149 10.4227 10.5047 10.7962 10.8677 k = 0.1176 0.0679 0.1921 ( 8496 PWs) bands (ev): -39.7691 -39.7691 -39.5916 -39.5916 -2.9884 -2.9880 1.5912 1.6164 1.6168 1.6509 1.8995 1.9040 2.3401 2.3659 2.3955 2.4554 5.5755 5.6058 6.3235 6.3846 7.4838 7.5138 8.6570 8.6988 10.1529 10.1584 10.3822 10.4437 10.7583 10.8694 k = 0.1103 0.0637 0.1801 ( 8500 PWs) bands (ev): -39.7691 -39.7691 -39.5916 -39.5916 -3.0122 -3.0119 1.5902 1.6132 1.6142 1.6461 1.8943 1.8981 2.3466 2.3706 2.3944 2.4513 5.7087 5.7371 6.4393 6.4992 7.5190 7.5473 8.6405 8.6822 10.0974 10.1041 10.3392 10.3818 10.7153 10.8028 k = 0.1029 0.0594 0.1681 ( 8493 PWs) bands (ev): -39.7692 -39.7692 -39.5916 -39.5916 -3.0348 -3.0345 1.5894 1.6102 1.6119 1.6413 1.8895 1.8927 2.3529 2.3753 2.3937 2.4475 5.8434 5.8701 6.5545 6.6133 7.5512 7.5778 8.6224 8.6637 10.0444 10.0524 10.2941 10.3199 10.6650 10.7298 k = 0.0956 0.0552 0.1561 ( 8499 PWs) bands (ev): -39.7692 -39.7692 -39.5915 -39.5915 -3.0562 -3.0560 1.5888 1.6074 1.6098 1.6366 1.8850 1.8877 2.3591 2.3798 2.3934 2.4438 5.9795 6.0046 6.6687 6.7263 7.5808 7.6054 8.6024 8.6430 9.9941 10.0035 10.2475 10.2585 10.6060 10.6495 k = 0.0882 0.0509 0.1441 ( 8499 PWs) bands (ev): -39.7692 -39.7692 -39.5915 -39.5915 -3.0762 -3.0760 1.5883 1.6048 1.6078 1.6320 1.8810 1.8832 2.3650 2.3841 2.3935 2.4403 6.1165 6.1402 6.7811 6.8374 7.6081 7.6306 8.5803 8.6198 9.9467 9.9576 10.1981 10.1996 10.5375 10.5614 k = 0.0809 0.0467 0.1321 ( 8509 PWs) bands (ev): -39.7692 -39.7692 -39.5915 -39.5915 -3.0948 -3.0947 1.5880 1.6024 1.6060 1.6275 1.8774 1.8791 2.3706 2.3882 2.3939 2.4370 6.2542 6.2765 6.8911 6.9459 7.6336 7.6540 8.5558 8.5936 9.9021 9.9147 10.1390 10.1509 10.4599 10.4665 k = 0.0735 0.0425 0.1201 ( 8517 PWs) bands (ev): -39.7693 -39.7693 -39.5915 -39.5915 -3.1120 -3.1120 1.5877 1.6003 1.6043 1.6231 1.8742 1.8755 2.3759 2.3920 2.3945 2.4339 6.3919 6.4130 6.9978 7.0508 7.6578 7.6762 8.5282 8.5639 9.8604 9.8748 10.0818 10.1019 10.3662 10.3748 k = 0.0662 0.0382 0.1081 ( 8515 PWs) bands (ev): -39.7693 -39.7693 -39.5915 -39.5915 -3.1278 -3.1277 1.5875 1.5984 1.6026 1.6190 1.8714 1.8724 2.3809 2.3954 2.3954 2.4309 6.5291 6.5487 7.1004 7.1512 7.6814 7.6978 8.4970 8.5299 9.8214 9.8378 10.0270 10.0530 10.2632 10.2846 k = 0.0588 0.0340 0.0961 ( 8503 PWs) bands (ev): -39.7693 -39.7693 -39.5915 -39.5915 -3.1419 -3.1419 1.5875 1.5967 1.6011 1.6150 1.8690 1.8697 2.3855 2.3966 2.3986 2.4281 6.6645 6.6828 7.1979 7.2458 7.7051 7.7196 8.4612 8.4907 9.7849 9.8034 9.9751 10.0048 10.1608 10.1922 k = 0.0515 0.0297 0.0841 ( 8507 PWs) bands (ev): -39.7693 -39.7693 -39.5915 -39.5915 -3.1546 -3.1545 1.5875 1.5953 1.5996 1.6112 1.8669 1.8674 2.3896 2.3980 2.4014 2.4253 6.7970 6.8136 7.2898 7.3337 7.7295 7.7424 8.4199 8.4453 9.7506 9.7709 9.9270 9.9579 10.0626 10.1012 k = 0.0441 0.0255 0.0720 ( 8505 PWs) bands (ev): -39.7693 -39.7693 -39.5914 -39.5914 -3.1655 -3.1655 1.5877 1.5942 1.5983 1.6077 1.8652 1.8655 2.3933 2.3996 2.4037 2.4227 6.9242 6.9388 7.3760 7.4146 7.7551 7.7669 8.3720 8.3927 9.7182 9.7394 9.8837 9.9131 9.9733 10.0152 k = 0.0368 0.0212 0.0600 ( 8503 PWs) bands (ev): -39.7693 -39.7693 -39.5914 -39.5914 -3.1749 -3.1749 1.5880 1.5934 1.5970 1.6045 1.8638 1.8639 2.3965 2.4013 2.4057 2.4202 7.0430 7.0549 7.4579 7.4895 7.7819 7.7929 8.3163 8.3321 9.6873 9.7073 9.8460 9.8709 9.8979 9.9378 k = 0.0294 0.0170 0.0480 ( 8497 PWs) bands (ev): -39.7693 -39.7693 -39.5914 -39.5914 -3.1826 -3.1826 1.5885 1.5928 1.5959 1.6016 1.8626 1.8627 2.3993 2.4032 2.4072 2.4177 7.1483 7.1567 7.5385 7.5617 7.8093 7.8194 8.2520 8.2629 9.6580 9.6735 9.8147 9.8315 9.8419 9.8721 k = 0.0221 0.0127 0.0360 ( 8497 PWs) bands (ev): -39.7693 -39.7693 -39.5914 -39.5914 -3.1886 -3.1886 1.5892 1.5924 1.5949 1.5989 1.8617 1.8618 2.4018 2.4050 2.4082 2.4154 7.2340 7.2386 7.6223 7.6366 7.8353 7.8441 8.1787 8.1851 9.6309 9.6398 9.7902 9.7968 9.8055 9.8208 k = 0.0147 0.0085 0.0240 ( 8493 PWs) bands (ev): -39.7694 -39.7694 -39.5914 -39.5914 -3.1929 -3.1929 1.5901 1.5923 1.5940 1.5966 1.8611 1.8611 2.4041 2.4065 2.4088 2.4131 7.2951 7.2967 7.7122 7.7190 7.8573 7.8640 8.0968 8.0997 9.6079 9.6111 9.7726 9.7738 9.7800 9.7851 k = 0.0074 0.0042 0.0120 ( 8497 PWs) bands (ev): -39.7694 -39.7694 -39.5914 -39.5914 -3.1955 -3.1955 1.5913 1.5924 1.5933 1.5945 1.8608 1.8608 2.4064 2.4078 2.4089 2.4108 7.3303 7.3306 7.8062 7.8082 7.8727 7.8763 8.0086 8.0092 9.5920 9.5924 9.7617 9.7619 9.7638 9.7647 k = 0.0000 0.0000 0.0000 ( 8441 PWs) bands (ev): -39.7693 -39.7693 -39.5914 -39.5914 -3.1963 -3.1963 1.5928 1.5928 1.5928 1.5928 1.8606 1.8606 2.4086 2.4086 2.4086 2.4086 7.3416 7.3416 7.8794 7.8794 7.8794 7.8794 7.9377 7.9377 9.5861 9.5861 9.7581 9.7581 9.7581 9.7581 k = 0.0000 0.0000 0.0000 ( 8441 PWs) bands (ev): -39.7693 -39.7693 -39.5914 -39.5914 -3.1963 -3.1963 1.5928 1.5928 1.5928 1.5928 1.8606 1.8606 2.4086 2.4086 2.4086 2.4086 7.3416 7.3416 7.8794 7.8794 7.8794 7.8794 7.9377 7.9377 9.5861 9.5861 9.7581 9.7581 9.7581 9.7581 k = 0.0119 0.0069 0.0049 ( 8495 PWs) bands (ev): -39.7694 -39.7694 -39.5914 -39.5914 -3.1955 -3.1955 1.5913 1.5929 1.5929 1.5946 1.8608 1.8608 2.4063 2.4083 2.4083 2.4109 7.3306 7.3306 7.8073 7.8073 7.8741 7.8781 8.0074 8.0074 9.5921 9.5921 9.7619 9.7625 9.7636 9.7636 k = 0.0238 0.0137 0.0097 ( 8507 PWs) bands (ev): -39.7694 -39.7694 -39.5914 -39.5914 -3.1929 -3.1929 1.5901 1.5931 1.5931 1.5966 1.8611 1.8611 2.4041 2.4076 2.4076 2.4132 7.2958 7.2958 7.7163 7.7163 7.8624 7.8702 8.0928 8.0928 9.6095 9.6095 9.7738 9.7749 9.7805 9.7805 k = 0.0357 0.0206 0.0146 ( 8507 PWs) bands (ev): -39.7694 -39.7694 -39.5914 -39.5914 -3.1887 -3.1887 1.5892 1.5936 1.5936 1.5990 1.8617 1.8617 2.4020 2.4064 2.4064 2.4156 7.2340 7.2340 7.6349 7.6349 7.8445 7.8561 8.1697 8.1697 9.6366 9.6366 9.7933 9.7948 9.8099 9.8099 k = 0.0476 0.0275 0.0194 ( 8507 PWs) bands (ev): -39.7693 -39.7693 -39.5914 -39.5914 -3.1828 -3.1828 1.5886 1.5942 1.5942 1.6016 1.8626 1.8626 2.4000 2.4048 2.4048 2.4180 7.1443 7.1443 7.5677 7.5677 7.8211 7.8362 8.2355 8.2355 9.6704 9.6704 9.8197 9.8213 9.8534 9.8534 k = 0.0595 0.0344 0.0243 ( 8507 PWs) bands (ev): -39.7693 -39.7693 -39.5914 -39.5914 -3.1753 -3.1753 1.5882 1.5950 1.5950 1.6044 1.8638 1.8638 2.3981 2.4027 2.4027 2.4205 7.0312 7.0312 7.5127 7.5127 7.7927 7.8111 8.2893 8.2893 9.7081 9.7081 9.8520 9.8536 9.9122 9.9122 k = 0.0714 0.0412 0.0292 ( 8510 PWs) bands (ev): -39.7693 -39.7693 -39.5915 -39.5915 -3.1661 -3.1661 1.5882 1.5959 1.5959 1.6074 1.8653 1.8653 2.3964 2.4002 2.4002 2.4230 6.9016 6.9016 7.4652 7.4652 7.7600 7.7815 8.3314 8.3314 9.7475 9.7475 9.8889 9.8902 9.9859 9.9859 k = 0.0833 0.0481 0.0340 ( 8504 PWs) bands (ev): -39.7693 -39.7693 -39.5915 -39.5915 -3.1553 -3.1553 1.5884 1.5970 1.5970 1.6107 1.8671 1.8671 2.3947 2.3972 2.3972 2.4255 6.7613 6.7613 7.4211 7.4211 7.7237 7.7480 8.3628 8.3628 9.7875 9.7875 9.9291 9.9299 10.0730 10.0730 k = 0.0952 0.0550 0.0389 ( 8507 PWs) bands (ev): -39.7693 -39.7693 -39.5915 -39.5915 -3.1429 -3.1429 1.5889 1.5982 1.5982 1.6141 1.8693 1.8693 2.3933 2.3939 2.3939 2.4282 6.6140 6.6140 7.3783 7.3783 7.6845 7.7113 8.3848 8.3848 9.8274 9.8274 9.9710 9.9710 10.1710 10.1710 k = 0.1071 0.0619 0.0437 ( 8516 PWs) bands (ev): -39.7693 -39.7693 -39.5915 -39.5915 -3.1290 -3.1290 1.5896 1.5996 1.5996 1.6176 1.8718 1.8718 2.3902 2.3902 2.3921 2.4309 6.4623 6.4623 7.3356 7.3356 7.6429 7.6720 8.3987 8.3987 9.8663 9.8663 10.0119 10.0128 10.2775 10.2775 k = 0.1190 0.0687 0.0486 ( 8513 PWs) bands (ev): -39.7693 -39.7693 -39.5915 -39.5915 -3.1136 -3.1136 1.5905 1.6011 1.6011 1.6212 1.8747 1.8747 2.3862 2.3862 2.3911 2.4336 6.3077 6.3077 7.2925 7.2925 7.5996 7.6308 8.4059 8.4059 9.9034 9.9034 10.0507 10.0526 10.3905 10.3905 k = 0.1310 0.0756 0.0535 ( 8516 PWs) bands (ev): -39.7692 -39.7692 -39.5915 -39.5915 -3.0968 -3.0968 1.5916 1.6027 1.6027 1.6249 1.8781 1.8781 2.3819 2.3819 2.3905 2.4365 6.1514 6.1514 7.2489 7.2489 7.5550 7.5880 8.4077 8.4077 9.9374 9.9374 10.0856 10.0884 10.5083 10.5083 k = 0.1429 0.0825 0.0583 ( 8519 PWs) bands (ev): -39.7692 -39.7692 -39.5915 -39.5915 -3.0786 -3.0786 1.5929 1.6045 1.6045 1.6286 1.8819 1.8819 2.3774 2.3774 2.3901 2.4394 5.9944 5.9944 7.2048 7.2048 7.5096 7.5443 8.4052 8.4052 9.9669 9.9669 10.1148 10.1184 10.6295 10.6295 k = 0.1548 0.0894 0.0632 ( 8516 PWs) bands (ev): -39.7692 -39.7692 -39.5916 -39.5916 -3.0590 -3.0590 1.5944 1.6065 1.6065 1.6323 1.8861 1.8861 2.3727 2.3727 2.3901 2.4425 5.8371 5.8371 7.1605 7.1605 7.4637 7.4998 8.3993 8.3993 9.9906 9.9906 10.1365 10.1406 10.7529 10.7529 k = 0.1667 0.0962 0.0680 ( 8504 PWs) bands (ev): -39.7692 -39.7692 -39.5916 -39.5916 -3.0382 -3.0382 1.5959 1.6087 1.6087 1.6359 1.8907 1.8907 2.3678 2.3678 2.3904 2.4457 5.6802 5.6802 7.1160 7.1160 7.4177 7.4550 8.3908 8.3908 10.0074 10.0074 10.1497 10.1540 10.8776 10.8776 k = 0.1786 0.1031 0.0729 ( 8504 PWs) bands (ev): -39.7691 -39.7691 -39.5916 -39.5916 -3.0163 -3.0163 1.5976 1.6112 1.6112 1.6393 1.8957 1.8957 2.3627 2.3627 2.3911 2.4490 5.5242 5.5242 7.0716 7.0716 7.3718 7.4102 8.3803 8.3803 10.0166 10.0166 10.1537 10.1576 11.0026 11.0026 k = 0.1905 0.1100 0.0778 ( 8498 PWs) bands (ev): -39.7691 -39.7691 -39.5916 -39.5916 -2.9932 -2.9932 1.5994 1.6140 1.6140 1.6427 1.9011 1.9011 2.3576 2.3576 2.3923 2.4524 5.3693 5.3693 7.0274 7.0274 7.3263 7.3656 8.3683 8.3683 10.0179 10.0179 10.1484 10.1516 11.1273 11.1273 k = 0.2024 0.1168 0.0826 ( 8510 PWs) bands (ev): -39.7691 -39.7691 -39.5916 -39.5916 -2.9691 -2.9691 1.6012 1.6172 1.6172 1.6459 1.9068 1.9068 2.3525 2.3525 2.3939 2.4560 5.2161 5.2161 6.9836 6.9836 7.2814 7.3214 8.3554 8.3554 10.0115 10.0115 10.1343 10.1366 11.2508 11.2508 k = 0.2143 0.1237 0.0875 ( 8483 PWs) bands (ev): -39.7690 -39.7690 -39.5916 -39.5916 -2.9441 -2.9441 1.6031 1.6209 1.6209 1.6488 1.9128 1.9128 2.3474 2.3474 2.3960 2.4596 5.0646 5.0646 6.9403 6.9403 7.2373 7.2778 8.3418 8.3418 9.9980 9.9980 10.1126 10.1138 11.3722 11.3722 k = 0.2262 0.1306 0.0923 ( 8486 PWs) bands (ev): -39.7690 -39.7690 -39.5917 -39.5917 -2.9184 -2.9184 1.6050 1.6251 1.6251 1.6515 1.9190 1.9190 2.3423 2.3423 2.3986 2.4634 4.9153 4.9153 6.8978 6.8978 7.1942 7.2350 8.3279 8.3279 9.9783 9.9783 10.0843 10.0844 11.4907 11.4907 k = 0.2381 0.1375 0.0972 ( 8489 PWs) bands (ev): -39.7690 -39.7690 -39.5917 -39.5917 -2.8919 -2.8919 1.6069 1.6300 1.6300 1.6540 1.9254 1.9254 2.3374 2.3374 2.4016 2.4673 4.7684 4.7684 6.8560 6.8560 7.1521 7.1931 8.3138 8.3138 9.9534 9.9534 10.0497 10.0511 11.6053 11.6053 k = 0.2500 0.1443 0.1021 ( 8495 PWs) bands (ev): -39.7690 -39.7690 -39.5917 -39.5917 -2.8649 -2.8649 1.6088 1.6357 1.6357 1.6561 1.9318 1.9318 2.3326 2.3326 2.4051 2.4713 4.6241 4.6241 6.8152 6.8152 7.1112 7.1521 8.2998 8.2998 9.9245 9.9245 10.0113 10.0139 11.7151 11.7151 k = 0.2619 0.1512 0.1069 ( 8495 PWs) bands (ev): -39.7689 -39.7689 -39.5917 -39.5917 -2.8375 -2.8375 1.6107 1.6423 1.6423 1.6580 1.9383 1.9383 2.3280 2.3280 2.4091 2.4753 4.4827 4.4827 6.7755 6.7755 7.0716 7.1123 8.2860 8.2860 9.8926 9.8926 9.9702 9.9739 11.8190 11.8190 k = 0.2738 0.1581 0.1118 ( 8486 PWs) bands (ev): -39.7689 -39.7689 -39.5918 -39.5918 -2.8097 -2.8097 1.6125 1.6498 1.6498 1.6595 1.9448 1.9448 2.3236 2.3236 2.4135 2.4794 4.3443 4.3443 6.7369 6.7369 7.0335 7.0738 8.2726 8.2726 9.8585 9.8585 9.9276 9.9322 11.9158 11.9158 k = 0.2857 0.1650 0.1166 ( 8486 PWs) bands (ev): -39.7689 -39.7689 -39.5918 -39.5918 -2.7819 -2.7819 1.6144 1.6585 1.6585 1.6607 1.9511 1.9511 2.3195 2.3195 2.4183 2.4836 4.2093 4.2093 6.6996 6.6996 6.9968 7.0365 8.2596 8.2596 9.8231 9.8231 9.8842 9.8896 12.0043 12.0043 k = 0.2976 0.1718 0.1215 ( 8492 PWs) bands (ev): -39.7688 -39.7688 -39.5918 -39.5918 -2.7540 -2.7540 1.6161 1.6616 1.6684 1.6684 1.9572 1.9572 2.3156 2.3156 2.4235 2.4877 4.0777 4.0777 6.6636 6.6636 6.9617 7.0006 8.2471 8.2471 9.7872 9.7872 9.8407 9.8468 12.0836 12.0836 k = 0.3095 0.1787 0.1264 ( 8483 PWs) bands (ev): -39.7688 -39.7688 -39.5918 -39.5918 -2.7264 -2.7264 1.6179 1.6622 1.6797 1.6797 1.9631 1.9631 2.3119 2.3119 2.4291 2.4917 3.9498 3.9498 6.6292 6.6292 6.9283 6.9662 8.2352 8.2352 9.7513 9.7513 9.7979 9.8044 12.1531 12.1531 k = 0.3214 0.1856 0.1312 ( 8501 PWs) bands (ev): -39.7688 -39.7688 -39.5918 -39.5918 -2.6991 -2.6991 1.6196 1.6624 1.6925 1.6925 1.9686 1.9686 2.3085 2.3085 2.4349 2.4957 3.8259 3.8259 6.5963 6.5963 6.8966 6.9333 8.2240 8.2240 9.7159 9.7159 9.7560 9.7629 12.2131 12.2131 k = 0.3333 0.1925 0.1361 ( 8489 PWs) bands (ev): -39.7688 -39.7688 -39.5919 -39.5919 -2.6723 -2.6723 1.6213 1.6624 1.7068 1.7068 1.9738 1.9738 2.3052 2.3052 2.4410 2.4995 3.7061 3.7061 6.5650 6.5650 6.8668 6.9021 8.2134 8.2134 9.6815 9.6815 9.7157 9.7228 12.2642 12.2642 k = 0.3452 0.1993 0.1409 ( 8507 PWs) bands (ev): -39.7687 -39.7687 -39.5919 -39.5919 -2.6463 -2.6463 1.6229 1.6621 1.7229 1.7229 1.9786 1.9786 2.3020 2.3020 2.4472 2.5031 3.5908 3.5908 6.5354 6.5354 6.8388 6.8725 8.2035 8.2035 9.6484 9.6484 9.6771 9.6843 12.3075 12.3075 k = 0.3571 0.2062 0.1458 ( 8507 PWs) bands (ev): -39.7687 -39.7687 -39.5919 -39.5919 -2.6212 -2.6212 1.6245 1.6615 1.7407 1.7407 1.9830 1.9830 2.2988 2.2988 2.4536 2.5065 3.4801 3.4801 6.5077 6.5077 6.8127 6.8447 8.1943 8.1943 9.6168 9.6168 9.6406 9.6478 12.3441 12.3441 k = 0.3690 0.2131 0.1507 ( 8516 PWs) bands (ev): -39.7687 -39.7687 -39.5919 -39.5919 -2.5972 -2.5972 1.6261 1.6608 1.7604 1.7604 1.9869 1.9869 2.2954 2.2954 2.4600 2.5097 3.3745 3.3745 6.4818 6.4818 6.7886 6.8187 8.1859 8.1859 9.5872 9.5872 9.6065 9.6134 12.3751 12.3751 k = 0.3810 0.2199 0.1555 ( 8510 PWs) bands (ev): -39.7687 -39.7687 -39.5919 -39.5919 -2.5745 -2.5745 1.6277 1.6598 1.7821 1.7821 1.9905 1.9905 2.2917 2.2917 2.4663 2.5125 3.2743 3.2743 6.4579 6.4579 6.7666 6.7945 8.1782 8.1782 9.5595 9.5595 9.5748 9.5815 12.4013 12.4013 k = 0.3929 0.2268 0.1604 ( 8510 PWs) bands (ev): -39.7687 -39.7687 -39.5920 -39.5920 -2.5532 -2.5532 1.6293 1.6586 1.8056 1.8056 1.9936 1.9936 2.2874 2.2874 2.4726 2.5149 3.1800 3.1800 6.4361 6.4361 6.7466 6.7723 8.1712 8.1712 9.5341 9.5341 9.5458 9.5521 12.4235 12.4235 k = 0.4048 0.2337 0.1652 ( 8517 PWs) bands (ev): -39.7686 -39.7686 -39.5920 -39.5920 -2.5336 -2.5336 1.6309 1.6573 1.8310 1.8310 1.9964 1.9964 2.2821 2.2821 2.4787 2.5170 3.0920 3.0920 6.4163 6.4163 6.7289 6.7521 8.1650 8.1650 9.5111 9.5111 9.5196 9.5254 12.4423 12.4423 k = 0.4167 0.2406 0.1701 ( 8523 PWs) bands (ev): -39.7686 -39.7686 -39.5920 -39.5920 -2.5159 -2.5159 1.6325 1.6559 1.8580 1.8580 1.9990 1.9990 2.2756 2.2756 2.4846 2.5186 3.0111 3.0111 6.3987 6.3987 6.7132 6.7339 8.1595 8.1595 9.4905 9.4905 9.4963 9.5016 12.4581 12.4581 k = 0.4286 0.2474 0.1750 ( 8508 PWs) bands (ev): -39.7686 -39.7686 -39.5920 -39.5920 -2.5001 -2.5001 1.6340 1.6543 1.8863 1.8863 2.0014 2.0014 2.2674 2.2674 2.4902 2.5197 2.9380 2.9380 6.3834 6.3834 6.6999 6.7178 8.1548 8.1548 9.4725 9.4725 9.4761 9.4807 12.4713 12.4713 k = 0.4405 0.2543 0.1798 ( 8514 PWs) bands (ev): -39.7686 -39.7686 -39.5920 -39.5920 -2.4865 -2.4865 1.6357 1.6527 1.9153 1.9153 2.0039 2.0039 2.2571 2.2571 2.4954 2.5203 2.8737 2.8737 6.3703 6.3703 6.6887 6.7039 8.1507 8.1507 9.4571 9.4571 9.4589 9.4628 12.4821 12.4821 k = 0.4524 0.2612 0.1847 ( 8514 PWs) bands (ev): -39.7686 -39.7686 -39.5920 -39.5920 -2.4752 -2.4752 1.6373 1.6510 1.9435 1.9435 2.0073 2.0073 2.2445 2.2445 2.5003 2.5203 2.8193 2.8193 6.3595 6.3595 6.6799 6.6921 8.1475 8.1475 9.4445 9.4445 9.4448 9.4480 12.4906 12.4906 k = 0.4643 0.2681 0.1895 ( 8502 PWs) bands (ev): -39.7686 -39.7686 -39.5920 -39.5920 -2.4663 -2.4663 1.6390 1.6493 1.9681 1.9681 2.0131 2.0131 2.2299 2.2299 2.5047 2.5198 2.7758 2.7758 6.3510 6.3510 6.6733 6.6826 8.1449 8.1449 9.4339 9.4346 9.4346 9.4364 12.4972 12.4972 k = 0.4762 0.2749 0.1944 ( 8511 PWs) bands (ev): -39.7686 -39.7686 -39.5920 -39.5920 -2.4598 -2.4598 1.6407 1.6476 1.9839 1.9839 2.0244 2.0244 2.2147 2.2147 2.5086 2.5187 2.7440 2.7440 6.3450 6.3450 6.6691 6.6753 8.1431 8.1431 9.4262 9.4275 9.4275 9.4279 12.5018 12.5018 k = 0.4881 0.2818 0.1993 ( 8514 PWs) bands (ev): -39.7686 -39.7686 -39.5920 -39.5920 -2.4559 -2.4559 1.6424 1.6458 1.9905 1.9905 2.0379 2.0379 2.2020 2.2020 2.5120 2.5170 2.7248 2.7248 6.3414 6.3414 6.6672 6.6703 8.1420 8.1420 9.4218 9.4226 9.4233 9.4233 12.5045 12.5045 k = 0.5000 0.2887 0.2041 ( 8514 PWs) bands (ev): -39.7686 -39.7686 -39.5920 -39.5920 -2.4546 -2.4546 1.6441 1.6441 1.9921 1.9921 2.0439 2.0439 2.1968 2.1968 2.5148 2.5148 2.7183 2.7183 6.3402 6.3402 6.6676 6.6676 8.1416 8.1416 9.4206 9.4206 9.4218 9.4218 12.5054 12.5054 k = 0.5000 0.2887 0.2041 ( 8514 PWs) bands (ev): -39.7686 -39.7686 -39.5920 -39.5920 -2.4546 -2.4546 1.6441 1.6441 1.9921 1.9921 2.0439 2.0439 2.1968 2.1968 2.5148 2.5148 2.7183 2.7183 6.3402 6.3402 6.6676 6.6676 8.1416 8.1416 9.4206 9.4206 9.4218 9.4218 12.5054 12.5054 k = 0.5042 0.2766 0.2109 ( 8514 PWs) bands (ev): -39.7686 -39.7686 -39.5920 -39.5920 -2.4542 -2.4540 1.6443 1.6443 1.9921 1.9925 2.0315 2.0567 2.1853 2.2088 2.5152 2.5152 2.7165 2.7199 6.3291 6.3345 6.6570 6.6571 8.1511 8.1571 9.4225 9.4227 9.4278 9.4291 12.5076 12.5125 k = 0.5083 0.2646 0.2177 ( 8522 PWs) bands (ev): -39.7686 -39.7686 -39.5920 -39.5920 -2.4526 -2.4521 1.6447 1.6448 1.9924 1.9932 2.0195 2.0697 2.1744 2.2212 2.5164 2.5165 2.7145 2.7215 6.3012 6.3117 6.6273 6.6276 8.1838 8.1953 9.4294 9.4298 9.4464 9.4490 12.5189 12.5288 k = 0.5125 0.2526 0.2245 ( 8512 PWs) bands (ev): -39.7686 -39.7686 -39.5920 -39.5920 -2.4499 -2.4492 1.6455 1.6458 1.9931 1.9940 2.0082 2.0828 2.1644 2.2338 2.5184 2.5186 2.7124 2.7229 6.2560 6.2712 6.5834 6.5841 8.2352 8.2515 9.4416 9.4427 9.4774 9.4813 12.5391 12.5540 k = 0.5167 0.2406 0.2313 ( 8512 PWs) bands (ev): -39.7686 -39.7686 -39.5920 -39.5920 -2.4461 -2.4452 1.6464 1.6471 1.9928 1.9943 1.9995 2.0956 2.1556 2.2466 2.5211 2.5218 2.7100 2.7243 6.1936 6.2125 6.5311 6.5320 8.2992 8.3192 9.4606 9.4627 9.5204 9.5254 12.5681 12.5879 k = 0.5208 0.2285 0.2381 ( 8507 PWs) bands (ev): -39.7685 -39.7685 -39.5920 -39.5920 -2.4412 -2.4401 1.6475 1.6489 1.9843 1.9960 1.9988 2.1072 2.1491 2.2595 2.5247 2.5259 2.7074 2.7257 6.1151 6.1366 6.4750 6.4754 8.3694 8.3919 9.4879 9.4919 9.5748 9.5806 12.6053 12.6301 k = 0.5250 0.2165 0.2449 ( 8505 PWs) bands (ev): -39.7685 -39.7685 -39.5920 -39.5920 -2.4353 -2.4339 1.6487 1.6510 1.9742 1.9981 2.0004 2.1149 2.1472 2.2722 2.5291 2.5311 2.7047 2.7273 6.0229 6.0459 6.4168 6.4175 8.4397 8.4636 9.5257 9.5324 9.6397 9.6462 12.6502 12.6797 k = 0.5292 0.2045 0.2518 ( 8499 PWs) bands (ev): -39.7685 -39.7685 -39.5920 -39.5920 -2.4284 -2.4267 1.6499 1.6536 1.9644 2.0007 2.0024 2.1159 2.1531 2.2848 2.5344 2.5375 2.7017 2.7291 5.9201 5.9439 6.3568 6.3590 8.5053 8.5293 9.5759 9.5865 9.7145 9.7215 12.7017 12.7360 k = 0.5333 0.1925 0.2586 ( 8497 PWs) bands (ev): -39.7685 -39.7685 -39.5920 -39.5920 -2.4205 -2.4186 1.6510 1.6565 1.9549 2.0037 2.0046 2.1127 2.1641 2.2972 2.5407 2.5449 2.6986 2.7313 5.8097 5.8340 6.2955 6.2996 8.5622 8.5853 9.6401 9.6557 9.7984 9.8056 12.7586 12.7972 k = 0.5375 0.1804 0.2654 ( 8499 PWs) bands (ev): -39.7685 -39.7685 -39.5921 -39.5921 -2.4117 -2.4095 1.6519 1.6598 1.9458 2.0070 2.0071 2.1086 2.1771 2.3092 2.5478 2.5533 2.6954 2.7340 5.6943 5.7189 6.2330 6.2388 8.6085 8.6296 9.7185 9.7403 9.8906 9.8979 12.8184 12.8606 k = 0.5417 0.1684 0.2722 ( 8499 PWs) bands (ev): -39.7685 -39.7685 -39.5921 -39.5921 -2.4020 -2.3996 1.6526 1.6633 1.9372 2.0095 2.0109 2.1048 2.1906 2.3208 2.5560 2.5626 2.6921 2.7377 5.5758 5.6007 6.1694 6.1769 8.6435 8.6621 9.8104 9.8392 9.9906 9.9976 12.8765 12.9201 k = 0.5458 0.1564 0.2790 ( 8505 PWs) bands (ev): -39.7685 -39.7685 -39.5921 -39.5921 -2.3915 -2.3890 1.6529 1.6671 1.9290 2.0120 2.0151 2.1019 2.2043 2.3321 2.5650 2.5724 2.6889 2.7424 5.4558 5.4812 6.1048 6.1138 8.6679 8.6838 9.9142 9.9504 10.0977 10.1042 12.9226 12.9616 k = 0.5500 0.1443 0.2858 ( 8501 PWs) bands (ev): -39.7685 -39.7685 -39.5921 -39.5921 -2.3803 -2.3775 1.6528 1.6710 1.9214 2.0145 2.0196 2.1002 2.2179 2.3430 2.5748 2.5824 2.6859 2.7487 5.3354 5.3617 6.0394 6.0499 8.6832 8.6964 10.0273 10.0713 10.2113 10.2172 12.9345 12.9572 k = 0.5542 0.1323 0.2926 ( 8493 PWs) bands (ev): -39.7685 -39.7685 -39.5921 -39.5921 -2.3685 -2.3655 1.6522 1.6750 1.9143 2.0169 2.0243 2.0997 2.2313 2.3537 2.5851 2.5923 2.6833 2.7568 5.2158 5.2432 5.9737 5.9854 8.6910 8.7016 10.1475 10.1994 10.3309 10.3361 12.8871 12.8908 k = 0.5583 0.1203 0.2994 ( 8487 PWs) bands (ev): -39.7685 -39.7685 -39.5921 -39.5921 -2.3561 -2.3529 1.6511 1.6789 1.9078 2.0192 2.0291 2.1004 2.2444 2.3643 2.5954 2.6014 2.6817 2.7673 5.0975 5.1264 5.9078 5.9206 8.6929 8.7012 10.2724 10.3323 10.4558 10.4604 12.7856 12.7908 k = 0.5625 0.1083 0.3062 ( 8492 PWs) bands (ev): -39.7685 -39.7684 -39.5921 -39.5921 -2.3432 -2.3399 1.6492 1.6827 1.9021 2.0214 2.0342 2.1025 2.2574 2.3749 2.6051 2.6096 2.6816 2.7801 4.9815 5.0123 5.8421 5.8559 8.6902 8.6963 10.4001 10.4680 10.5851 10.5894 12.6661 12.6728 k = 0.5667 0.0962 0.3130 ( 8486 PWs) bands (ev): -39.7684 -39.7684 -39.5921 -39.5921 -2.3300 -2.3265 1.6467 1.6861 1.8971 2.0233 2.0394 2.1057 2.2703 2.3855 2.6129 2.6165 2.6841 2.7955 4.8682 4.9014 5.7768 5.7916 8.6840 8.6883 10.5288 10.6050 10.7178 10.7220 12.5436 12.5486 k = 0.5708 0.0842 0.3198 ( 8490 PWs) bands (ev): -39.7684 -39.7684 -39.5921 -39.5921 -2.3166 -2.3129 1.6436 1.6889 1.8930 2.0250 2.0447 2.1100 2.2831 2.3964 2.6181 2.6223 2.6900 2.8132 4.7583 4.7944 5.7123 5.7278 8.6754 8.6778 10.6567 10.7422 10.8526 10.8562 12.4239 12.4255 k = 0.5750 0.0722 0.3266 ( 8494 PWs) bands (ev): -39.7684 -39.7684 -39.5921 -39.5921 -2.3030 -2.2992 1.6397 1.6911 1.8899 2.0265 2.0502 2.1152 2.2960 2.4075 2.6203 2.6271 2.6992 2.8328 4.6523 4.6919 5.6488 5.6650 8.6649 8.6657 10.7818 10.8786 10.9878 10.9894 12.3084 12.3112 k = 0.5792 0.0601 0.3334 ( 8496 PWs) bands (ev): -39.7684 -39.7684 -39.5921 -39.5921 -2.2894 -2.2854 1.6352 1.6924 1.8879 2.0278 2.0558 2.1210 2.3091 2.4190 2.6203 2.6313 2.7108 2.8538 4.5510 4.5947 5.5865 5.6033 8.6524 8.6531 10.9008 11.0125 11.1178 11.1212 12.2027 12.2103 k = 0.5833 0.0481 0.3402 ( 8494 PWs) bands (ev): -39.7684 -39.7684 -39.5921 -39.5921 -2.2760 -2.2718 1.6300 1.6927 1.8870 2.0287 2.0615 2.1272 2.3224 2.4307 2.6189 2.6351 2.7237 2.8755 4.4549 4.5032 5.5257 5.5430 8.6384 8.6405 11.0079 11.1391 11.2370 11.2506 12.1168 12.1284 k = 0.5875 0.0361 0.3470 ( 8498 PWs) bands (ev): -39.7684 -39.7684 -39.5922 -39.5922 -2.2627 -2.2585 1.6243 1.6918 1.8871 2.0295 2.0672 2.1337 2.3360 2.4427 2.6172 2.6390 2.7368 2.8973 4.3648 4.4184 5.4666 5.4842 8.6240 8.6274 11.0935 11.2420 11.3490 11.3743 12.0641 12.0757 k = 0.5917 0.0241 0.3538 ( 8502 PWs) bands (ev): -39.7684 -39.7684 -39.5922 -39.5922 -2.2499 -2.2455 1.6180 1.6898 1.8883 2.0301 2.0728 2.1403 2.3496 2.4546 2.6157 2.6435 2.7490 2.9184 4.2814 4.3409 5.4093 5.4272 8.6095 8.6142 11.1438 11.2905 11.4673 11.4925 12.0603 12.0640 k = 0.5958 0.0120 0.3606 ( 8506 PWs) bands (ev): -39.7684 -39.7684 -39.5922 -39.5922 -2.2376 -2.2332 1.6113 1.6866 1.8903 2.0306 2.0782 2.1468 2.3631 2.4663 2.6153 2.6490 2.7598 2.9379 4.2057 4.2713 5.3542 5.3722 8.5952 8.6010 11.1496 11.2776 11.5931 11.6078 12.0982 12.1093 k = 0.6000-0.0000 0.3674 ( 8500 PWs) bands (ev): -39.7684 -39.7684 -39.5922 -39.5922 -2.2260 -2.2215 1.6043 1.6822 1.8929 2.0312 2.0831 2.1532 2.3760 2.4775 2.6167 2.6561 2.7683 2.9549 4.1386 4.2106 5.3012 5.3194 8.5811 8.5881 11.1146 11.2216 11.7198 11.7222 12.1701 12.1973 k = 0.6042-0.0120 0.3742 ( 8510 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.2152 -2.2106 1.5969 1.6769 1.8959 2.0318 2.0874 2.1595 2.3876 2.4876 2.6207 2.6652 2.7741 2.9685 4.0812 4.1592 5.2508 5.2689 8.5675 8.5756 11.0514 11.1415 11.8350 11.8434 12.2648 12.3059 k = 0.6083-0.0241 0.3810 ( 8511 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.2053 -2.2007 1.5894 1.6706 1.8989 2.0328 2.0910 2.1655 2.3971 2.4965 2.6282 2.6766 2.7768 2.9780 4.0345 4.1178 5.2029 5.2208 8.5545 8.5637 10.9715 11.0494 11.9439 11.9612 12.3693 12.4223 k = 0.6125-0.0361 0.3878 ( 8517 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1966 -2.1920 1.5818 1.6635 1.9017 2.0340 2.0936 2.1712 2.4039 2.5039 2.6397 2.6904 2.7766 2.9827 3.9993 4.0867 5.1579 5.1755 8.5422 8.5524 10.8827 10.9517 12.0463 12.0707 12.4742 12.5373 k = 0.6167-0.0481 0.3946 ( 8523 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1891 -2.1845 1.5741 1.6558 1.9040 2.0357 2.0951 2.1764 2.4076 2.5097 2.6552 2.7063 2.7739 2.9828 3.9762 4.0659 5.1158 5.1330 8.5307 8.5419 10.7893 10.8518 12.1397 12.1696 12.5726 12.6440 k = 0.6208-0.0601 0.4014 ( 8517 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1830 -2.1784 1.5665 1.6476 1.9056 2.0379 2.0955 2.1810 2.4081 2.5140 2.6733 2.7236 2.7708 2.9790 3.9650 4.0554 5.0769 5.0934 8.5201 8.5323 10.6941 10.7517 12.2219 12.2559 12.6588 12.7360 k = 0.6250-0.0722 0.4082 ( 8516 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1784 -2.1739 1.5591 1.6389 1.9063 2.0406 2.0947 2.1848 2.4059 2.5170 2.6898 2.7405 2.7716 2.9733 3.9654 4.0546 5.0413 5.0570 8.5104 8.5235 10.5987 10.6524 12.2916 12.3283 12.7286 12.8079 k = 0.6250-0.0722 0.4082 ( 8516 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1784 -2.1739 1.5591 1.6389 1.9063 2.0406 2.0947 2.1848 2.4059 2.5170 2.6898 2.7405 2.7716 2.9733 3.9654 4.0546 5.0413 5.0570 8.5104 8.5235 10.5987 10.6524 12.2916 12.3283 12.7286 12.8079 k = 0.6176-0.0679 0.4203 ( 8513 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1782 -2.1737 1.5598 1.6397 1.9059 2.0399 2.0952 2.1841 2.4057 2.5157 2.6889 2.7409 2.7742 2.9743 3.9655 4.0550 5.0357 5.0520 8.5195 8.5327 10.5989 10.6528 12.2502 12.2999 12.7517 12.8512 k = 0.6103-0.0637 0.4323 ( 8513 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1776 -2.1731 1.5619 1.6421 1.9045 2.0381 2.0968 2.1818 2.4053 2.5119 2.6860 2.7430 2.7811 2.9773 3.9657 4.0562 5.0195 5.0371 8.5464 8.5598 10.5994 10.6540 12.1600 12.2192 12.8157 12.9461 k = 0.6029-0.0594 0.4443 ( 8513 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1767 -2.1721 1.5655 1.6461 1.9023 2.0353 2.0990 2.1780 2.4045 2.5062 2.6811 2.7482 2.7904 2.9822 3.9661 4.0582 4.9932 5.0129 8.5904 8.6043 10.6003 10.6558 12.0510 12.1112 12.8951 13.0562 k = 0.5956-0.0552 0.4563 ( 8503 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1754 -2.1708 1.5703 1.6517 1.8991 2.0320 2.1014 2.1730 2.4033 2.4992 2.6750 2.7562 2.8010 2.9887 3.9668 4.0608 4.9582 4.9807 8.6504 8.6649 10.6015 10.6584 11.9345 11.9924 12.9662 13.1554 k = 0.5882-0.0509 0.4683 ( 8506 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1738 -2.1692 1.5764 1.6588 1.8950 2.0285 2.1036 2.1670 2.4018 2.4917 2.6685 2.7662 2.8121 2.9965 3.9676 4.0642 4.9158 4.9417 8.7249 8.7402 10.6028 10.6616 11.8152 11.8700 13.0066 13.1815 k = 0.5809-0.0467 0.4803 ( 8506 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1720 -2.1672 1.5836 1.6673 1.8900 2.0251 2.1050 2.1604 2.3998 2.4842 2.6622 2.7772 2.8237 3.0052 3.9686 4.0680 4.8676 4.8977 8.8121 8.8284 10.6041 10.6653 11.6955 11.7472 12.9978 13.1086 k = 0.5735-0.0425 0.4923 ( 8514 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1699 -2.1651 1.5918 1.6771 1.8841 2.0220 2.1049 2.1540 2.3974 2.4772 2.6564 2.7887 2.8354 3.0143 3.9699 4.0722 4.8155 4.8501 8.9103 8.9279 10.6053 10.6694 11.5770 11.6259 12.9435 13.0065 k = 0.5662-0.0382 0.5043 ( 8512 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1676 -2.1627 1.6007 1.6882 1.8774 2.0192 2.1024 2.1487 2.3946 2.4709 2.6515 2.8002 2.8472 3.0232 3.9715 4.0766 4.7613 4.8009 9.0173 9.0364 10.6061 10.6737 11.4609 11.5075 12.8624 12.9001 k = 0.5588-0.0340 0.5163 ( 8518 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1652 -2.1603 1.6102 1.7004 1.8701 2.0169 2.0970 2.1453 2.3916 2.4656 2.6473 2.8114 2.8587 3.0314 3.9733 4.0809 4.7068 4.7517 9.1310 9.1518 10.6062 10.6781 11.3483 11.3930 12.7692 12.7960 k = 0.5515-0.0297 0.5283 ( 8506 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1628 -2.1577 1.6199 1.7135 1.8621 2.0151 2.0889 2.1437 2.3886 2.4611 2.6441 2.8223 2.8698 3.0384 3.9753 4.0846 4.6538 4.7041 9.2488 9.2717 10.6054 10.6824 11.2405 11.2838 12.6724 12.6969 k = 0.5441-0.0255 0.5403 ( 8505 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1604 -2.1553 1.6296 1.7273 1.8538 2.0136 2.0792 2.1434 2.3857 2.4574 2.6417 2.8326 2.8802 3.0437 3.9775 4.0875 4.6043 4.6597 9.3677 9.3932 10.6031 10.6864 11.1390 11.1813 12.5775 12.6038 k = 0.5368-0.0212 0.5523 ( 8498 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1581 -2.1529 1.6389 1.7414 1.8453 2.0122 2.0691 2.1437 2.3832 2.4543 2.6400 2.8424 2.8895 3.0470 3.9798 4.0889 4.5601 4.6199 9.4841 9.5125 10.5994 10.6903 11.0455 11.0874 12.4887 12.5178 k = 0.5294-0.0170 0.5643 ( 8497 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1560 -2.1508 1.6473 1.7555 1.8369 2.0105 2.0597 2.1442 2.3812 2.4518 2.6391 2.8515 2.8975 3.0481 3.9821 4.0885 4.5227 4.5859 9.5932 9.6248 10.5943 10.6947 10.9619 11.0040 12.4087 12.4408 k = 0.5221-0.0127 0.5764 ( 8496 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1542 -2.1489 1.6545 1.7689 1.8289 2.0083 2.0522 2.1447 2.3799 2.4498 2.6387 2.8596 2.9040 3.0471 3.9843 4.0863 4.4936 4.5586 9.6888 9.7238 10.5894 10.7016 10.8904 10.9329 12.3407 12.3754 k = 0.5147-0.0085 0.5884 ( 8493 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1528 -2.1475 1.6600 1.7808 1.8218 2.0055 2.0471 2.1451 2.3792 2.4483 2.6387 2.8663 2.9088 3.0447 3.9860 4.0828 4.4733 4.5389 9.7635 9.8014 10.5874 10.7144 10.8331 10.8747 12.2876 12.3243 k = 0.5074-0.0042 0.6004 ( 8495 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1518 -2.1465 1.6635 1.7896 1.8163 2.0028 2.0445 2.1454 2.3789 2.4473 2.6388 2.8709 2.9117 3.0420 3.9871 4.0795 4.4617 4.5271 9.8102 9.8501 10.5904 10.7371 10.7927 10.8281 12.2531 12.2910 k = 0.5000-0.0000 0.6124 ( 8516 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1515 -2.1462 1.6647 1.7930 1.8142 2.0017 2.0438 2.1455 2.3789 2.4469 2.6390 2.8727 2.9126 3.0406 3.9875 4.0780 4.4581 4.5232 9.8256 9.8661 10.5941 10.7588 10.7782 10.7991 12.2408 12.2792 k = 0.5000-0.0000 0.6124 ( 8516 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1515 -2.1462 1.6647 1.7930 1.8142 2.0017 2.0438 2.1455 2.3789 2.4469 2.6390 2.8727 2.9126 3.0406 3.9875 4.0780 4.4581 4.5232 9.8256 9.8661 10.5941 10.7588 10.7782 10.7991 12.2408 12.2792 k = 0.5000 0.0085 0.6004 ( 8496 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1522 -2.1469 1.6647 1.7907 1.8160 2.0026 2.0430 2.1455 2.3789 2.4467 2.6386 2.8700 2.9102 3.0434 3.9852 4.0796 4.4649 4.5307 9.8202 9.8597 10.5857 10.7252 10.7857 10.8422 12.2458 12.2854 k = 0.5000 0.0170 0.5884 ( 8486 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1544 -2.1491 1.6650 1.7852 1.8201 2.0052 2.0408 2.1455 2.3789 2.4460 2.6375 2.8613 2.9048 3.0501 3.9803 4.0838 4.4851 4.5524 9.8045 9.8412 10.5649 10.6755 10.8217 10.9019 12.2608 12.3036 k = 0.5000 0.0255 0.5764 ( 8490 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1580 -2.1527 1.6653 1.7783 1.8247 2.0093 2.0374 2.1454 2.3786 2.4450 2.6358 2.8466 2.8990 3.0576 3.9765 4.0903 4.5179 4.5863 9.7796 9.8122 10.5376 10.6255 10.8732 10.9674 12.2858 12.3330 k = 0.5000 0.0340 0.5643 ( 8486 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1630 -2.1577 1.6658 1.7707 1.8294 2.0146 2.0332 2.1450 2.3776 2.4440 2.6337 2.8278 2.8933 3.0628 3.9774 4.0996 4.5617 4.6301 9.7469 9.7749 10.5063 10.5755 10.9354 11.0384 12.3204 12.3723 k = 0.5000 0.0425 0.5523 ( 8488 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1692 -2.1640 1.6663 1.7628 1.8341 2.0202 2.0289 2.1441 2.3757 2.4432 2.6313 2.8068 2.8869 3.0640 3.9858 4.1131 4.6146 4.6818 9.7081 9.7313 10.4717 10.5250 11.0057 11.1147 12.3641 12.4203 k = 0.5000 0.0509 0.5403 ( 8496 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1768 -2.1716 1.6670 1.7548 1.8386 2.0208 2.0301 2.1425 2.3726 2.4428 2.6289 2.7852 2.8790 3.0599 4.0034 4.1322 4.6748 4.7400 9.6646 9.6834 10.4341 10.4739 11.0822 11.1960 12.4159 12.4756 k = 0.5000 0.0594 0.5283 ( 8496 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1855 -2.1804 1.6676 1.7468 1.8431 2.0159 2.0369 2.1402 2.3680 2.4427 2.6265 2.7640 2.8692 3.0503 4.0312 4.1580 4.7410 4.8035 9.6177 9.6325 10.3937 10.4222 11.1634 11.2818 12.4750 12.5364 k = 0.5000 0.0679 0.5163 ( 8512 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1952 -2.1902 1.6683 1.7390 1.8475 2.0107 2.0443 2.1371 2.3620 2.4429 2.6242 2.7439 2.8576 3.0355 4.0692 4.1914 4.8119 4.8713 9.5686 9.5799 10.3506 10.3704 11.2479 11.3712 12.5399 12.6006 k = 0.5000 0.0764 0.5043 ( 8508 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.2059 -2.2010 1.6690 1.7315 1.8519 2.0057 2.0517 2.1333 2.3548 2.4429 2.6220 2.7254 2.8440 3.0163 4.1170 4.2326 4.8866 4.9428 9.5179 9.5263 10.3050 10.3187 11.3338 11.4633 12.6085 12.6635 k = 0.5000 0.0849 0.4923 ( 8508 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.2175 -2.2127 1.6696 1.7242 1.8564 2.0011 2.0586 2.1287 2.3467 2.4423 2.6198 2.7089 2.8288 2.9935 4.1741 4.2818 4.9643 5.0173 9.4664 9.4725 10.2567 10.2682 11.4189 11.5566 12.6737 12.7129 k = 0.5000 0.0934 0.4803 ( 8510 PWs) bands (ev): -39.7684 -39.7684 -39.5922 -39.5922 -2.2298 -2.2251 1.6702 1.7174 1.8610 1.9972 2.0649 2.1236 2.3379 2.4406 2.6175 2.6949 2.8123 2.9683 4.2394 4.3387 5.0445 5.0943 9.4144 9.4188 10.2061 10.2190 11.4994 11.6482 12.6807 12.7340 k = 0.5000 0.1019 0.4683 ( 8502 PWs) bands (ev): -39.7684 -39.7684 -39.5922 -39.5922 -2.2427 -2.2381 1.6705 1.7109 1.8656 1.9939 2.0701 2.1180 2.3286 2.4376 2.6150 2.6836 2.7948 2.9416 4.3124 4.4031 5.1268 5.1734 9.3621 9.3659 10.1545 10.1704 11.5687 11.7320 12.5767 12.6636 k = 0.5000 0.1104 0.4563 ( 8498 PWs) bands (ev): -39.7684 -39.7684 -39.5922 -39.5922 -2.2561 -2.2517 1.6707 1.7049 1.8704 1.9915 2.0740 2.1123 2.3190 2.4330 2.6119 2.6750 2.7768 2.9143 4.3922 4.4746 5.2106 5.2541 9.3097 9.3138 10.1030 10.1219 11.6146 11.7934 12.4488 12.5445 k = 0.5000 0.1189 0.4443 ( 8500 PWs) bands (ev): -39.7684 -39.7684 -39.5922 -39.5922 -2.2698 -2.2655 1.6708 1.6993 1.8752 1.9898 2.0761 2.1071 2.3091 2.4269 2.6084 2.6690 2.7586 2.8872 4.4783 4.5527 5.2955 5.3361 9.2575 9.2626 10.0519 10.0736 11.6183 11.8003 12.3637 12.4573 k = 0.5000 0.1274 0.4323 ( 8490 PWs) bands (ev): -39.7684 -39.7684 -39.5921 -39.5921 -2.2838 -2.2796 1.6705 1.6940 1.8802 1.9889 2.0757 2.1030 2.2991 2.4193 2.6042 2.6652 2.7404 2.8612 4.5699 4.6371 5.3813 5.4189 9.2057 9.2120 10.0016 10.0257 11.5636 11.7227 12.3609 12.4289 k = 0.5000 0.1358 0.4203 ( 8498 PWs) bands (ev): -39.7684 -39.7684 -39.5921 -39.5921 -2.2978 -2.2939 1.6701 1.6891 1.8854 1.9887 2.0725 2.1007 2.2888 2.4105 2.5995 2.6630 2.7227 2.8369 4.6667 4.7273 5.4674 5.5023 9.1544 9.1621 9.9522 9.9783 11.4544 11.5807 12.4235 12.4578 k = 0.5000 0.1443 0.4082 ( 8486 PWs) bands (ev): -39.7684 -39.7684 -39.5921 -39.5921 -2.3118 -2.3081 1.6693 1.6846 1.8908 1.9892 2.0671 2.0996 2.2783 2.4008 2.5942 2.6613 2.7060 2.8150 4.7682 4.8227 5.5536 5.5858 9.1035 9.1127 9.9040 9.9315 11.3099 11.4095 12.5174 12.5262 k = 0.5000 0.1528 0.3962 ( 8498 PWs) bands (ev): -39.7684 -39.7684 -39.5921 -39.5921 -2.3257 -2.3221 1.6683 1.6804 1.8964 1.9902 2.0605 2.0993 2.2674 2.3904 2.5884 2.6580 2.6919 2.7959 4.8737 4.9230 5.6396 5.6690 9.0528 9.0636 9.8570 9.8856 11.1468 11.2274 12.6149 12.6266 k = 0.5000 0.1613 0.3842 ( 8496 PWs) bands (ev): -39.7685 -39.7684 -39.5921 -39.5921 -2.3394 -2.3359 1.6670 1.6764 1.9022 1.9915 2.0532 2.0992 2.2561 2.3797 2.5822 2.6497 2.6837 2.7799 4.9830 5.0275 5.7248 5.7516 9.0020 9.0145 9.8115 9.8407 10.9755 11.0424 12.7153 12.7388 k = 0.5000 0.1698 0.3722 ( 8494 PWs) bands (ev): -39.7685 -39.7685 -39.5921 -39.5921 -2.3526 -2.3494 1.6655 1.6727 1.9084 1.9932 2.0458 2.0994 2.2443 2.3687 2.5756 2.6360 2.6818 2.7668 5.0955 5.1359 5.8090 5.8333 8.9507 8.9650 9.7674 9.7969 10.8020 10.8586 12.8156 12.8467 k = 0.5000 0.1783 0.3602 ( 8500 PWs) bands (ev): -39.7685 -39.7685 -39.5921 -39.5921 -2.3654 -2.3624 1.6638 1.6693 1.9150 1.9948 2.0385 2.1000 2.2320 2.3576 2.5688 2.6201 2.6829 2.7566 5.2106 5.2474 5.8918 5.9135 8.8986 8.9147 9.7250 9.7545 10.6300 10.6786 12.9009 12.9360 k = 0.5000 0.1868 0.3482 ( 8500 PWs) bands (ev): -39.7685 -39.7685 -39.5921 -39.5921 -2.3776 -2.3748 1.6619 1.6660 1.9220 1.9963 2.0315 2.1012 2.2192 2.3463 2.5620 2.6040 2.6854 2.7486 5.3277 5.3616 5.9728 5.9919 8.8448 8.8630 9.6844 9.7134 10.4623 10.5046 12.9447 12.9850 k = 0.5000 0.1953 0.3362 ( 8500 PWs) bands (ev): -39.7685 -39.7685 -39.5921 -39.5921 -2.3892 -2.3866 1.6599 1.6629 1.9294 1.9975 2.0250 2.1031 2.2059 2.3349 2.5554 2.5886 2.6884 2.7425 5.4461 5.4774 6.0517 6.0682 8.7889 8.8090 9.6458 9.6740 10.3013 10.3385 12.9329 12.9798 k = 0.5000 0.2038 0.3242 ( 8500 PWs) bands (ev): -39.7685 -39.7685 -39.5921 -39.5921 -2.4000 -2.3977 1.6578 1.6600 1.9373 1.9983 2.0189 2.1058 2.1923 2.3233 2.5490 2.5744 2.6916 2.7378 5.5648 5.5941 6.1280 6.1419 8.7299 8.7518 9.6094 9.6365 10.1492 10.1822 12.8869 12.9346 k = 0.5000 0.2123 0.3122 ( 8496 PWs) bands (ev): -39.7685 -39.7685 -39.5921 -39.5921 -2.4101 -2.4079 1.6557 1.6573 1.9456 1.9986 2.0135 2.1093 2.1786 2.3114 2.5430 2.5617 2.6949 2.7342 5.6827 5.7104 6.2016 6.2129 8.6672 8.6906 9.5754 9.6009 10.0080 10.0375 12.8281 12.8727 k = 0.5000 0.2208 0.3002 ( 8496 PWs) bands (ev): -39.7685 -39.7685 -39.5920 -39.5920 -2.4192 -2.4173 1.6537 1.6548 1.9545 1.9984 2.0086 2.1132 2.1654 2.2991 2.5374 2.5507 2.6982 2.7315 5.7982 5.8246 6.2722 6.2810 8.6002 8.6247 9.5439 9.5677 9.8799 9.9063 12.7671 12.8073 k = 0.5000 0.2292 0.2882 ( 8506 PWs) bands (ev): -39.7685 -39.7685 -39.5920 -39.5920 -2.4274 -2.4257 1.6517 1.6524 1.9638 1.9978 2.0045 2.1165 2.1538 2.2865 2.5324 2.5413 2.7013 2.7293 5.9093 5.9346 6.3399 6.3462 8.5290 8.5539 9.5154 9.5371 9.7665 9.7902 12.7087 12.7440 k = 0.5000 0.2377 0.2762 ( 8514 PWs) bands (ev): -39.7685 -39.7685 -39.5920 -39.5920 -2.4346 -2.4331 1.6499 1.6503 1.9736 1.9969 2.0012 2.1159 2.1472 2.2737 2.5280 2.5336 2.7044 2.7274 6.0136 6.0375 6.4048 6.4089 8.4545 8.4789 9.4901 9.5093 9.6694 9.6902 12.6556 12.6859 k = 0.5000 0.2462 0.2642 ( 8522 PWs) bands (ev): -39.7686 -39.7686 -39.5920 -39.5920 -2.4407 -2.4395 1.6482 1.6485 1.9837 1.9959 1.9987 2.1083 2.1485 2.2607 2.5241 2.5273 2.7072 2.7258 6.1077 6.1298 6.4670 6.4695 8.3787 8.4015 9.4683 9.4848 9.5889 9.6068 12.6092 12.6345 k = 0.5000 0.2547 0.2522 ( 8524 PWs) bands (ev): -39.7686 -39.7686 -39.5920 -39.5920 -2.4458 -2.4448 1.6468 1.6469 1.9924 1.9949 1.9987 2.0966 2.1550 2.2476 2.5209 2.5225 2.7098 2.7244 6.1885 6.2078 6.5261 6.5276 8.3051 8.3253 9.4503 9.4638 9.5252 9.5398 12.5706 12.5908 k = 0.5000 0.2632 0.2401 ( 8518 PWs) bands (ev): -39.7686 -39.7686 -39.5920 -39.5920 -2.4497 -2.4490 1.6457 1.6457 1.9931 1.9942 2.0075 2.0836 2.1639 2.2345 2.5183 2.5190 2.7122 2.7230 6.2530 6.2685 6.5804 6.5813 8.2387 8.2552 9.4364 9.4466 9.4774 9.4885 12.5406 12.5557 k = 0.5000 0.2717 0.2281 ( 8506 PWs) bands (ev): -39.7686 -39.7686 -39.5920 -39.5920 -2.4525 -2.4520 1.6448 1.6448 1.9924 1.9933 2.0190 2.0702 2.1740 2.2216 2.5164 2.5166 2.7145 2.7215 6.2999 6.3105 6.6259 6.6262 8.1855 8.1972 9.4267 9.4336 9.4447 9.4522 12.5195 12.5296 k = 0.5000 0.2802 0.2161 ( 8514 PWs) bands (ev): -39.7686 -39.7686 -39.5920 -39.5920 -2.4542 -2.4539 1.6443 1.6443 1.9921 1.9925 2.0313 2.0570 2.1851 2.2090 2.5152 2.5152 2.7165 2.7200 6.3288 6.3342 6.6566 6.6567 8.1515 8.1576 9.4216 9.4246 9.4266 9.4300 12.5077 12.5128 k = 0.5000 0.2887 0.2041 ( 8514 PWs) bands (ev): -39.7686 -39.7686 -39.5920 -39.5920 -2.4546 -2.4546 1.6441 1.6441 1.9921 1.9921 2.0439 2.0439 2.1968 2.1968 2.5148 2.5148 2.7183 2.7183 6.3402 6.3402 6.6676 6.6676 8.1416 8.1416 9.4206 9.4206 9.4218 9.4218 12.5054 12.5054 k = 0.5000 0.2887 0.2041 ( 8514 PWs) bands (ev): -39.7686 -39.7686 -39.5920 -39.5920 -2.4546 -2.4546 1.6441 1.6441 1.9921 1.9921 2.0439 2.0439 2.1968 2.1968 2.5148 2.5148 2.7183 2.7183 6.3402 6.3402 6.6676 6.6676 8.1416 8.1416 9.4206 9.4206 9.4218 9.4218 12.5054 12.5054 k = 0.4958 0.2863 0.2177 ( 8514 PWs) bands (ev): -39.7686 -39.7686 -39.5920 -39.5920 -2.4542 -2.4540 1.6443 1.6443 1.9921 1.9925 2.0315 2.0567 2.1853 2.2088 2.5152 2.5152 2.7165 2.7199 6.3291 6.3345 6.6570 6.6571 8.1511 8.1571 9.4225 9.4227 9.4278 9.4291 12.5076 12.5125 k = 0.4917 0.2839 0.2313 ( 8522 PWs) bands (ev): -39.7686 -39.7686 -39.5920 -39.5920 -2.4526 -2.4521 1.6447 1.6448 1.9924 1.9932 2.0195 2.0697 2.1744 2.2212 2.5164 2.5165 2.7145 2.7215 6.3012 6.3117 6.6273 6.6276 8.1838 8.1953 9.4294 9.4298 9.4464 9.4490 12.5189 12.5288 k = 0.4875 0.2815 0.2449 ( 8512 PWs) bands (ev): -39.7686 -39.7686 -39.5920 -39.5920 -2.4499 -2.4492 1.6455 1.6458 1.9931 1.9940 2.0082 2.0828 2.1644 2.2338 2.5184 2.5186 2.7124 2.7229 6.2560 6.2712 6.5834 6.5841 8.2352 8.2515 9.4416 9.4427 9.4774 9.4813 12.5391 12.5540 k = 0.4833 0.2791 0.2586 ( 8512 PWs) bands (ev): -39.7686 -39.7686 -39.5920 -39.5920 -2.4461 -2.4452 1.6464 1.6471 1.9928 1.9943 1.9995 2.0956 2.1556 2.2466 2.5211 2.5218 2.7100 2.7243 6.1936 6.2125 6.5311 6.5320 8.2992 8.3192 9.4606 9.4627 9.5204 9.5254 12.5681 12.5879 k = 0.4792 0.2766 0.2722 ( 8507 PWs) bands (ev): -39.7685 -39.7685 -39.5920 -39.5920 -2.4412 -2.4401 1.6475 1.6489 1.9843 1.9960 1.9988 2.1072 2.1491 2.2595 2.5247 2.5259 2.7074 2.7257 6.1151 6.1366 6.4750 6.4754 8.3694 8.3919 9.4879 9.4919 9.5748 9.5806 12.6053 12.6301 k = 0.4750 0.2742 0.2858 ( 8505 PWs) bands (ev): -39.7685 -39.7685 -39.5920 -39.5920 -2.4353 -2.4339 1.6487 1.6510 1.9742 1.9981 2.0004 2.1149 2.1472 2.2722 2.5291 2.5311 2.7047 2.7273 6.0229 6.0459 6.4168 6.4175 8.4397 8.4636 9.5257 9.5324 9.6397 9.6462 12.6502 12.6797 k = 0.4708 0.2718 0.2994 ( 8499 PWs) bands (ev): -39.7685 -39.7685 -39.5920 -39.5920 -2.4284 -2.4267 1.6499 1.6536 1.9644 2.0007 2.0024 2.1159 2.1531 2.2848 2.5344 2.5375 2.7017 2.7291 5.9201 5.9440 6.3568 6.3590 8.5053 8.5293 9.5759 9.5865 9.7145 9.7215 12.7017 12.7360 k = 0.4667 0.2694 0.3130 ( 8497 PWs) bands (ev): -39.7685 -39.7685 -39.5920 -39.5920 -2.4205 -2.4186 1.6510 1.6565 1.9549 2.0037 2.0046 2.1127 2.1641 2.2972 2.5407 2.5449 2.6986 2.7313 5.8097 5.8340 6.2955 6.2996 8.5622 8.5853 9.6401 9.6557 9.7984 9.8056 12.7586 12.7972 k = 0.4625 0.2670 0.3266 ( 8499 PWs) bands (ev): -39.7685 -39.7685 -39.5921 -39.5921 -2.4117 -2.4095 1.6519 1.6598 1.9458 2.0070 2.0071 2.1086 2.1771 2.3092 2.5478 2.5533 2.6954 2.7340 5.6943 5.7189 6.2330 6.2388 8.6085 8.6296 9.7185 9.7403 9.8906 9.8979 12.8184 12.8606 k = 0.4583 0.2646 0.3402 ( 8499 PWs) bands (ev): -39.7685 -39.7685 -39.5921 -39.5921 -2.4020 -2.3996 1.6526 1.6633 1.9372 2.0095 2.0109 2.1048 2.1906 2.3208 2.5560 2.5626 2.6921 2.7377 5.5758 5.6007 6.1694 6.1769 8.6435 8.6621 9.8104 9.8392 9.9906 9.9976 12.8765 12.9201 k = 0.4542 0.2622 0.3538 ( 8505 PWs) bands (ev): -39.7685 -39.7685 -39.5921 -39.5921 -2.3915 -2.3890 1.6529 1.6671 1.9290 2.0120 2.0151 2.1019 2.2043 2.3321 2.5650 2.5724 2.6889 2.7424 5.4558 5.4812 6.1048 6.1138 8.6679 8.6838 9.9142 9.9504 10.0977 10.1042 12.9226 12.9616 k = 0.4500 0.2598 0.3674 ( 8501 PWs) bands (ev): -39.7685 -39.7685 -39.5921 -39.5921 -2.3803 -2.3775 1.6528 1.6710 1.9214 2.0145 2.0196 2.1002 2.2179 2.3430 2.5748 2.5824 2.6859 2.7487 5.3354 5.3617 6.0394 6.0499 8.6832 8.6964 10.0273 10.0713 10.2113 10.2172 12.9345 12.9572 k = 0.4458 0.2574 0.3810 ( 8493 PWs) bands (ev): -39.7685 -39.7685 -39.5921 -39.5921 -2.3685 -2.3655 1.6522 1.6750 1.9143 2.0169 2.0243 2.0997 2.2313 2.3537 2.5851 2.5923 2.6833 2.7568 5.2158 5.2432 5.9737 5.9854 8.6910 8.7016 10.1475 10.1994 10.3309 10.3361 12.8871 12.8908 k = 0.4417 0.2550 0.3946 ( 8487 PWs) bands (ev): -39.7685 -39.7685 -39.5921 -39.5921 -2.3561 -2.3529 1.6511 1.6789 1.9078 2.0192 2.0291 2.1004 2.2444 2.3643 2.5954 2.6014 2.6817 2.7673 5.0975 5.1264 5.9078 5.9206 8.6929 8.7012 10.2724 10.3323 10.4558 10.4604 12.7856 12.7908 k = 0.4375 0.2526 0.4082 ( 8492 PWs) bands (ev): -39.7685 -39.7684 -39.5921 -39.5921 -2.3432 -2.3399 1.6492 1.6827 1.9021 2.0214 2.0342 2.1025 2.2574 2.3749 2.6051 2.6096 2.6816 2.7801 4.9815 5.0123 5.8421 5.8559 8.6902 8.6963 10.4001 10.4680 10.5851 10.5894 12.6661 12.6728 k = 0.4333 0.2502 0.4219 ( 8486 PWs) bands (ev): -39.7684 -39.7684 -39.5921 -39.5921 -2.3300 -2.3265 1.6467 1.6861 1.8971 2.0233 2.0394 2.1057 2.2703 2.3855 2.6129 2.6165 2.6841 2.7955 4.8682 4.9014 5.7768 5.7916 8.6840 8.6883 10.5288 10.6050 10.7178 10.7220 12.5436 12.5486 k = 0.4292 0.2478 0.4355 ( 8490 PWs) bands (ev): -39.7684 -39.7684 -39.5921 -39.5921 -2.3166 -2.3129 1.6436 1.6889 1.8930 2.0250 2.0447 2.1100 2.2831 2.3964 2.6181 2.6223 2.6900 2.8132 4.7583 4.7944 5.7123 5.7278 8.6754 8.6778 10.6567 10.7422 10.8526 10.8562 12.4239 12.4255 k = 0.4250 0.2454 0.4491 ( 8494 PWs) bands (ev): -39.7684 -39.7684 -39.5921 -39.5921 -2.3030 -2.2992 1.6397 1.6911 1.8899 2.0265 2.0502 2.1152 2.2960 2.4075 2.6203 2.6271 2.6992 2.8328 4.6523 4.6919 5.6488 5.6650 8.6649 8.6657 10.7818 10.8786 10.9878 10.9894 12.3084 12.3112 k = 0.4208 0.2430 0.4627 ( 8496 PWs) bands (ev): -39.7684 -39.7684 -39.5921 -39.5921 -2.2894 -2.2854 1.6352 1.6924 1.8879 2.0278 2.0558 2.1210 2.3091 2.4190 2.6203 2.6313 2.7108 2.8538 4.5510 4.5947 5.5865 5.6033 8.6524 8.6531 10.9008 11.0125 11.1178 11.1212 12.2027 12.2103 k = 0.4167 0.2406 0.4763 ( 8494 PWs) bands (ev): -39.7684 -39.7684 -39.5921 -39.5921 -2.2760 -2.2718 1.6300 1.6927 1.8870 2.0287 2.0615 2.1272 2.3224 2.4307 2.6189 2.6351 2.7237 2.8755 4.4549 4.5032 5.5257 5.5430 8.6384 8.6405 11.0079 11.1391 11.2370 11.2506 12.1168 12.1284 k = 0.4125 0.2382 0.4899 ( 8498 PWs) bands (ev): -39.7684 -39.7684 -39.5922 -39.5922 -2.2627 -2.2585 1.6243 1.6918 1.8871 2.0295 2.0672 2.1337 2.3360 2.4427 2.6172 2.6390 2.7368 2.8973 4.3648 4.4184 5.4666 5.4842 8.6240 8.6274 11.0935 11.2420 11.3490 11.3743 12.0641 12.0757 k = 0.4083 0.2358 0.5035 ( 8502 PWs) bands (ev): -39.7684 -39.7684 -39.5922 -39.5922 -2.2499 -2.2455 1.6180 1.6898 1.8883 2.0301 2.0728 2.1403 2.3496 2.4546 2.6157 2.6435 2.7490 2.9184 4.2814 4.3409 5.4093 5.4272 8.6095 8.6142 11.1438 11.2905 11.4673 11.4925 12.0603 12.0640 k = 0.4042 0.2333 0.5171 ( 8506 PWs) bands (ev): -39.7684 -39.7684 -39.5922 -39.5922 -2.2376 -2.2332 1.6113 1.6866 1.8903 2.0306 2.0782 2.1468 2.3631 2.4663 2.6153 2.6490 2.7598 2.9379 4.2057 4.2713 5.3542 5.3722 8.5952 8.6010 11.1496 11.2776 11.5931 11.6078 12.0982 12.1093 k = 0.4000 0.2309 0.5307 ( 8500 PWs) bands (ev): -39.7684 -39.7684 -39.5922 -39.5922 -2.2260 -2.2215 1.6043 1.6822 1.8929 2.0312 2.0831 2.1532 2.3760 2.4775 2.6167 2.6561 2.7683 2.9549 4.1386 4.2106 5.3012 5.3194 8.5811 8.5881 11.1146 11.2216 11.7198 11.7222 12.1701 12.1973 k = 0.3958 0.2285 0.5443 ( 8510 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.2152 -2.2106 1.5969 1.6769 1.8959 2.0318 2.0874 2.1595 2.3876 2.4876 2.6207 2.6652 2.7741 2.9685 4.0812 4.1592 5.2508 5.2689 8.5675 8.5756 11.0514 11.1415 11.8350 11.8434 12.2648 12.3059 k = 0.3917 0.2261 0.5579 ( 8511 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.2053 -2.2007 1.5894 1.6706 1.8989 2.0328 2.0910 2.1655 2.3971 2.4965 2.6282 2.6766 2.7768 2.9780 4.0345 4.1178 5.2029 5.2208 8.5545 8.5637 10.9715 11.0494 11.9439 11.9612 12.3693 12.4223 k = 0.3875 0.2237 0.5715 ( 8517 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1966 -2.1920 1.5818 1.6635 1.9017 2.0340 2.0936 2.1712 2.4039 2.5039 2.6397 2.6904 2.7766 2.9827 3.9993 4.0867 5.1579 5.1755 8.5422 8.5524 10.8827 10.9517 12.0463 12.0707 12.4742 12.5373 k = 0.3833 0.2213 0.5852 ( 8523 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1891 -2.1845 1.5741 1.6558 1.9040 2.0357 2.0951 2.1764 2.4076 2.5097 2.6552 2.7063 2.7739 2.9828 3.9762 4.0659 5.1158 5.1330 8.5307 8.5419 10.7893 10.8518 12.1397 12.1696 12.5726 12.6440 k = 0.3792 0.2189 0.5988 ( 8517 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1830 -2.1784 1.5665 1.6476 1.9056 2.0379 2.0955 2.1810 2.4081 2.5140 2.6733 2.7236 2.7708 2.9790 3.9650 4.0554 5.0769 5.0934 8.5201 8.5323 10.6941 10.7517 12.2219 12.2559 12.6588 12.7360 k = 0.3750 0.2165 0.6124 ( 8516 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1784 -2.1739 1.5591 1.6389 1.9063 2.0406 2.0947 2.1848 2.4059 2.5170 2.6898 2.7405 2.7716 2.9733 3.9654 4.0546 5.0413 5.0570 8.5104 8.5235 10.5987 10.6524 12.2916 12.3283 12.7286 12.8079 k = 0.6250-0.0722 0.4082 ( 8516 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1784 -2.1739 1.5591 1.6389 1.9063 2.0406 2.0947 2.1848 2.4059 2.5170 2.6898 2.7405 2.7716 2.9733 3.9654 4.0546 5.0413 5.0570 8.5104 8.5235 10.5987 10.6524 12.2916 12.3283 12.7286 12.8079 k = 0.6176-0.0849 0.4082 ( 8522 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1721 -2.1677 1.5459 1.6225 1.9077 2.0456 2.0919 2.1902 2.4000 2.5213 2.6995 2.7631 2.7960 2.9693 3.9782 4.0639 4.9827 4.9970 8.4938 8.5086 10.4320 10.4806 12.4041 12.4443 12.8365 12.9150 k = 0.6103-0.0976 0.4082 ( 8514 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1668 -2.1625 1.5325 1.6049 1.9106 2.0504 2.0889 2.1942 2.3948 2.5257 2.6936 2.7727 2.8377 2.9785 3.9960 4.0778 4.9270 4.9396 8.4761 8.4926 10.2690 10.3137 12.5186 12.5621 12.9459 13.0226 k = 0.6029-0.1104 0.4082 ( 8506 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1622 -2.1581 1.5191 1.5864 1.9150 2.0548 2.0859 2.1965 2.3909 2.5300 2.6845 2.7701 2.8835 2.9993 4.0185 4.0963 4.8742 4.8850 8.4572 8.4752 10.1112 10.1528 12.6346 12.6813 13.0563 13.1302 k = 0.5956-0.1231 0.4082 ( 8502 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1583 -2.1544 1.5057 1.5677 1.9208 2.0590 2.0831 2.1968 2.3887 2.5342 2.6756 2.7596 2.9289 3.0269 4.0455 4.1191 4.8246 4.8333 8.4367 8.4563 9.9601 9.9994 12.7513 12.8013 13.1675 13.2374 k = 0.5882-0.1358 0.4082 ( 8496 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1551 -2.1514 1.4927 1.5490 1.9277 2.0627 2.0805 2.1948 2.3885 2.5381 2.6676 2.7449 2.9723 3.0570 4.0765 4.1458 4.7783 4.7848 8.4144 8.4353 9.8171 9.8544 12.8682 12.9215 13.2787 13.3436 k = 0.5809-0.1486 0.4082 ( 8506 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1525 -2.1490 1.4800 1.5307 1.9356 2.0661 2.0784 2.1907 2.3903 2.5416 2.6609 2.7287 3.0130 3.0868 4.1109 4.1759 4.7357 4.7398 8.3899 8.4120 9.6836 9.7193 12.9844 13.0412 13.3897 13.4483 k = 0.5735-0.1613 0.4082 ( 8510 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1503 -2.1471 1.4681 1.5132 1.9444 2.0690 2.0766 2.1844 2.3941 2.5445 2.6554 2.7122 3.0504 3.1149 4.1477 4.2085 4.6969 4.6983 8.3631 8.3861 9.5609 9.5949 13.0990 13.1592 13.4998 13.5509 k = 0.5662-0.1741 0.4082 ( 8518 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1486 -2.1457 1.4568 1.4966 1.9540 2.0716 2.0752 2.1763 2.3997 2.5464 2.6510 2.6964 3.0842 3.1404 4.1858 4.2428 4.6608 4.6623 8.3340 8.3572 9.4502 9.4825 13.2110 13.2744 13.6083 13.6509 k = 0.5588-0.1868 0.4082 ( 8508 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1472 -2.1446 1.4466 1.4812 1.9643 2.0737 2.0742 2.1667 2.4066 2.5470 2.6475 2.6820 3.1143 3.1628 4.2240 4.2773 4.6276 4.6322 8.3026 8.3256 9.3526 9.3828 13.3190 13.3850 13.7145 13.7476 k = 0.5515-0.1995 0.4082 ( 8480 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1461 -2.1438 1.4374 1.4671 1.9751 2.0735 2.0753 2.1559 2.4148 2.5459 2.6448 2.6695 3.1408 3.1822 4.2607 4.3104 4.5994 4.6072 8.2697 8.2917 9.2686 9.2963 13.4215 13.4890 13.8172 13.8405 k = 0.5441-0.2123 0.4082 ( 8480 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1453 -2.1432 1.4294 1.4544 1.9864 2.0732 2.0766 2.1442 2.4239 2.5428 2.6427 2.6593 3.1637 3.1983 4.2942 4.3403 4.5769 4.5876 8.2362 8.2565 9.1983 9.2230 13.5170 13.5840 13.9150 13.9288 k = 0.5368-0.2250 0.4082 ( 8484 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1446 -2.1429 1.4228 1.4433 1.9983 2.0731 2.0776 2.1318 2.4338 2.5375 2.6412 2.6515 3.1831 3.2114 4.3229 4.3646 4.5612 4.5739 8.2037 8.2216 9.1415 9.1627 13.6036 13.6674 14.0058 14.0114 k = 0.5294-0.2377 0.4082 ( 8492 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1441 -2.1427 1.4175 1.4337 2.0104 2.0731 2.0782 2.1191 2.4442 2.5303 2.6401 2.6460 3.1991 3.2214 4.3457 4.3815 4.5530 4.5659 8.1739 8.1888 9.0973 9.1146 13.6795 13.7368 14.0866 14.0872 k = 0.5221-0.2505 0.4082 ( 8494 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1437 -2.1426 1.4138 1.4258 2.0229 2.0730 2.0786 2.1063 2.4551 2.5214 2.6394 2.6425 3.2120 3.2285 4.3624 4.3905 4.5516 4.5627 8.1486 8.1601 9.0648 9.0780 13.7431 13.7901 14.1516 14.1556 k = 0.5147-0.2632 0.4082 ( 8488 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1434 -2.1427 1.4116 1.4196 2.0356 2.0723 2.0788 2.0941 2.4663 2.5112 2.6389 2.6404 3.2218 3.2327 4.3739 4.3929 4.5546 4.5623 8.1297 8.1375 9.0431 9.0519 13.7926 13.8260 14.2030 14.2076 k = 0.5074-0.2759 0.4082 ( 8480 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1431 -2.1428 1.4111 1.4150 2.0482 2.0689 2.0792 2.0844 2.4777 2.5004 2.6387 2.6392 3.2288 3.2342 4.3818 4.3913 4.5587 4.5626 8.1185 8.1225 9.0313 9.0357 13.8267 13.8440 14.2367 14.2397 k = 0.5000-0.2887 0.4082 ( 8480 PWs) bands (ev): -39.7683 -39.7683 -39.5922 -39.5922 -2.1429 -2.1429 1.4122 1.4122 2.0601 2.0601 2.0802 2.0802 2.4891 2.4891 2.6387 2.6387 3.2329 3.2329 4.3874 4.3874 4.5617 4.5617 8.1160 8.1160 9.0289 9.0289 13.8441 13.8441 14.2495 14.2495 Writing output data file Li2AgSb.save init_run : 1.02s CPU 0.61s WALL ( 1 calls) electrons : 241.24s CPU 147.30s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.09s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 241.24s CPU 147.29s 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 : 0.19s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.42s CPU 0.53s WALL ( 320 calls) cegterg : 202.68s CPU 124.59s WALL ( 332 calls) Called by sum_band: Called by *egterg: h_psi : 169.37s CPU 96.20s WALL ( 6005 calls) s_psi : 5.88s CPU 3.45s WALL ( 6005 calls) g_psi : 0.36s CPU 0.25s WALL ( 5353 calls) cdiaghg : 37.04s CPU 27.16s WALL ( 5673 calls) cegterg:over : 7.56s CPU 4.96s WALL ( 5353 calls) cegterg:upda : 7.38s CPU 5.20s WALL ( 5353 calls) cegterg:last : 3.40s CPU 2.22s WALL ( 973 calls) cdiaghg:chol : 2.30s CPU 1.65s WALL ( 5673 calls) cdiaghg:inve : 0.92s CPU 0.68s WALL ( 5673 calls) cdiaghg:para : 2.04s CPU 1.52s WALL ( 11346 calls) Called by h_psi: h_psi:vloc : 156.25s CPU 88.04s WALL ( 6005 calls) h_psi:vnl : 12.78s CPU 7.96s WALL ( 6005 calls) add_vuspsi : 7.02s CPU 4.24s WALL ( 6005 calls) General routines calbec : 5.74s CPU 3.69s WALL ( 6005 calls) fft : 0.08s CPU 0.05s WALL ( 15 calls) fftw : 148.09s CPU 83.00s WALL ( 415188 calls) davcio : 0.44s CPU 0.96s WALL ( 640 calls) Parallel routines fft_scatter : 57.18s CPU 34.16s WALL ( 415203 calls) PWSCF : 4m18.18s CPU 2m54.88s WALL This run was terminated on: 21:51:28 10Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=