Program PWSCF v.5.4.0 starts on 12Feb2017 at 4: 1:33 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: ./LiInSn.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 62 62 17 1968 1968 288 Max 63 63 18 1973 1973 290 Sum 2245 2245 637 70913 70913 10417 bravais-lattice index = 14 lattice parameter (alat) = 8.9207 a.u. unit-cell volume = 501.9789 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 3 number of electrons = 30.00 number of Kohn-Sham states= 38 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.920725 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for In read from file: /users/gautes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sn read from file: /users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 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 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 atomic species valence mass pseudopotential In 13.00 114.81800 In( 1.00) Sn 14.00 118.71000 Sn( 1.00) Li 3.00 6.94100 Li( 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= 316 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 2) = ( 0.0104167 -0.0060141 0.0085052), wk = 0.0031646 k( 3) = ( 0.0208333 -0.0120281 0.0170103), wk = 0.0031646 k( 4) = ( 0.0312500 -0.0180422 0.0255155), wk = 0.0031646 k( 5) = ( 0.0416667 -0.0240563 0.0340207), wk = 0.0031646 k( 6) = ( 0.0520833 -0.0300703 0.0425259), wk = 0.0031646 k( 7) = ( 0.0625000 -0.0360844 0.0510310), wk = 0.0031646 k( 8) = ( 0.0729167 -0.0420985 0.0595362), wk = 0.0031646 k( 9) = ( 0.0833333 -0.0481125 0.0680414), wk = 0.0031646 k( 10) = ( 0.0937500 -0.0541266 0.0765466), wk = 0.0031646 k( 11) = ( 0.1041667 -0.0601407 0.0850517), wk = 0.0031646 k( 12) = ( 0.1145833 -0.0661547 0.0935569), wk = 0.0031646 k( 13) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0031646 k( 14) = ( 0.1354167 -0.0781829 0.1105672), wk = 0.0031646 k( 15) = ( 0.1458333 -0.0841969 0.1190724), wk = 0.0031646 k( 16) = ( 0.1562500 -0.0902110 0.1275776), wk = 0.0031646 k( 17) = ( 0.1666667 -0.0962250 0.1360828), wk = 0.0031646 k( 18) = ( 0.1770833 -0.1022391 0.1445879), wk = 0.0031646 k( 19) = ( 0.1875000 -0.1082532 0.1530931), wk = 0.0031646 k( 20) = ( 0.1979167 -0.1142672 0.1615983), wk = 0.0031646 k( 21) = ( 0.2083333 -0.1202813 0.1701035), wk = 0.0031646 k( 22) = ( 0.2187500 -0.1262954 0.1786086), wk = 0.0031646 k( 23) = ( 0.2291667 -0.1323094 0.1871138), wk = 0.0031646 k( 24) = ( 0.2395833 -0.1383235 0.1956190), wk = 0.0031646 k( 25) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0031646 k( 26) = ( 0.2604167 -0.1503516 0.2126293), wk = 0.0031646 k( 27) = ( 0.2708333 -0.1563657 0.2211345), wk = 0.0031646 k( 28) = ( 0.2812500 -0.1623798 0.2296397), wk = 0.0031646 k( 29) = ( 0.2916667 -0.1683938 0.2381448), wk = 0.0031646 k( 30) = ( 0.3020833 -0.1744079 0.2466500), wk = 0.0031646 k( 31) = ( 0.3125000 -0.1804220 0.2551552), wk = 0.0031646 k( 32) = ( 0.3229167 -0.1864360 0.2636604), wk = 0.0031646 k( 33) = ( 0.3333333 -0.1924501 0.2721655), wk = 0.0031646 k( 34) = ( 0.3437500 -0.1984642 0.2806707), wk = 0.0031646 k( 35) = ( 0.3541667 -0.2044782 0.2891759), wk = 0.0031646 k( 36) = ( 0.3645833 -0.2104923 0.2976810), wk = 0.0031646 k( 37) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0031646 k( 38) = ( 0.3854167 -0.2225204 0.3146914), wk = 0.0031646 k( 39) = ( 0.3958333 -0.2285345 0.3231966), wk = 0.0031646 k( 40) = ( 0.4062500 -0.2345485 0.3317017), wk = 0.0031646 k( 41) = ( 0.4166667 -0.2405626 0.3402069), wk = 0.0031646 k( 42) = ( 0.4270833 -0.2465767 0.3487121), wk = 0.0031646 k( 43) = ( 0.4375000 -0.2525907 0.3572173), wk = 0.0031646 k( 44) = ( 0.4479167 -0.2586048 0.3657224), wk = 0.0031646 k( 45) = ( 0.4583333 -0.2646189 0.3742276), wk = 0.0031646 k( 46) = ( 0.4687500 -0.2706329 0.3827328), wk = 0.0031646 k( 47) = ( 0.4791667 -0.2766470 0.3912379), wk = 0.0031646 k( 48) = ( 0.4895833 -0.2826611 0.3997431), wk = 0.0031646 k( 49) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031646 k( 50) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031646 k( 51) = ( 0.5000000 -0.2766470 0.4167535), wk = 0.0031646 k( 52) = ( 0.5000000 -0.2646189 0.4252586), wk = 0.0031646 k( 53) = ( 0.5000000 -0.2525907 0.4337638), wk = 0.0031646 k( 54) = ( 0.5000000 -0.2405626 0.4422690), wk = 0.0031646 k( 55) = ( 0.5000000 -0.2285345 0.4507742), wk = 0.0031646 k( 56) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0031646 k( 57) = ( 0.5000000 -0.2044782 0.4677845), wk = 0.0031646 k( 58) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0031646 k( 59) = ( 0.5000000 -0.1804220 0.4847948), wk = 0.0031646 k( 60) = ( 0.5000000 -0.1683938 0.4933000), wk = 0.0031646 k( 61) = ( 0.5000000 -0.1563657 0.5018052), wk = 0.0031646 k( 62) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0031646 k( 63) = ( 0.5000000 -0.1323094 0.5188155), wk = 0.0031646 k( 64) = ( 0.5000000 -0.1202813 0.5273207), wk = 0.0031646 k( 65) = ( 0.5000000 -0.1082532 0.5358259), wk = 0.0031646 k( 66) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0031646 k( 67) = ( 0.5000000 -0.0841969 0.5528362), wk = 0.0031646 k( 68) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0031646 k( 69) = ( 0.5000000 -0.0601406 0.5698466), wk = 0.0031646 k( 70) = ( 0.5000000 -0.0481125 0.5783517), wk = 0.0031646 k( 71) = ( 0.5000000 -0.0360844 0.5868569), wk = 0.0031646 k( 72) = ( 0.5000000 -0.0240563 0.5953621), wk = 0.0031646 k( 73) = ( 0.5000000 -0.0120281 0.6038673), wk = 0.0031646 k( 74) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0031646 k( 75) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0031646 k( 76) = ( 0.4926471 0.0127357 0.6123724), wk = 0.0031646 k( 77) = ( 0.4852941 0.0254713 0.6123724), wk = 0.0031646 k( 78) = ( 0.4779412 0.0382070 0.6123724), wk = 0.0031646 k( 79) = ( 0.4705882 0.0509427 0.6123724), wk = 0.0031646 k( 80) = ( 0.4632353 0.0636783 0.6123724), wk = 0.0031646 k( 81) = ( 0.4558823 0.0764140 0.6123724), wk = 0.0031646 k( 82) = ( 0.4485294 0.0891497 0.6123724), wk = 0.0031646 k( 83) = ( 0.4411765 0.1018853 0.6123724), wk = 0.0031646 k( 84) = ( 0.4338235 0.1146210 0.6123724), wk = 0.0031646 k( 85) = ( 0.4264706 0.1273567 0.6123724), wk = 0.0031646 k( 86) = ( 0.4191177 0.1400923 0.6123724), wk = 0.0031646 k( 87) = ( 0.4117647 0.1528280 0.6123724), wk = 0.0031646 k( 88) = ( 0.4044118 0.1655637 0.6123724), wk = 0.0031646 k( 89) = ( 0.3970588 0.1782994 0.6123724), wk = 0.0031646 k( 90) = ( 0.3897059 0.1910350 0.6123724), wk = 0.0031646 k( 91) = ( 0.3823529 0.2037707 0.6123724), wk = 0.0031646 k( 92) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031646 k( 93) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031646 k( 94) = ( 0.3675000 0.2121762 0.6001250), wk = 0.0031646 k( 95) = ( 0.3600000 0.2078461 0.5878775), wk = 0.0031646 k( 96) = ( 0.3525000 0.2035160 0.5756301), wk = 0.0031646 k( 97) = ( 0.3450000 0.1991858 0.5633826), wk = 0.0031646 k( 98) = ( 0.3375000 0.1948557 0.5511352), wk = 0.0031646 k( 99) = ( 0.3300000 0.1905256 0.5388877), wk = 0.0031646 k( 100) = ( 0.3225000 0.1861955 0.5266403), wk = 0.0031646 k( 101) = ( 0.3150000 0.1818653 0.5143928), wk = 0.0031646 k( 102) = ( 0.3075000 0.1775352 0.5021454), wk = 0.0031646 k( 103) = ( 0.3000000 0.1732051 0.4898979), wk = 0.0031646 k( 104) = ( 0.2925000 0.1688750 0.4776505), wk = 0.0031646 k( 105) = ( 0.2850000 0.1645448 0.4654031), wk = 0.0031646 k( 106) = ( 0.2775000 0.1602147 0.4531556), wk = 0.0031646 k( 107) = ( 0.2700000 0.1558846 0.4409082), wk = 0.0031646 k( 108) = ( 0.2625000 0.1515544 0.4286607), wk = 0.0031646 k( 109) = ( 0.2550000 0.1472243 0.4164133), wk = 0.0031646 k( 110) = ( 0.2475000 0.1428942 0.4041658), wk = 0.0031646 k( 111) = ( 0.2400000 0.1385641 0.3919184), wk = 0.0031646 k( 112) = ( 0.2325000 0.1342339 0.3796709), wk = 0.0031646 k( 113) = ( 0.2250000 0.1299038 0.3674235), wk = 0.0031646 k( 114) = ( 0.2175000 0.1255737 0.3551760), wk = 0.0031646 k( 115) = ( 0.2100000 0.1212436 0.3429286), wk = 0.0031646 k( 116) = ( 0.2025000 0.1169134 0.3306811), wk = 0.0031646 k( 117) = ( 0.1950000 0.1125833 0.3184337), wk = 0.0031646 k( 118) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0031646 k( 119) = ( 0.1800000 0.1039230 0.2939388), wk = 0.0031646 k( 120) = ( 0.1725000 0.0995929 0.2816913), wk = 0.0031646 k( 121) = ( 0.1650000 0.0952628 0.2694439), wk = 0.0031646 k( 122) = ( 0.1575000 0.0909327 0.2571964), wk = 0.0031646 k( 123) = ( 0.1500000 0.0866025 0.2449490), wk = 0.0031646 k( 124) = ( 0.1425000 0.0822724 0.2327015), wk = 0.0031646 k( 125) = ( 0.1350000 0.0779423 0.2204541), wk = 0.0031646 k( 126) = ( 0.1275000 0.0736122 0.2082066), wk = 0.0031646 k( 127) = ( 0.1200000 0.0692820 0.1959592), wk = 0.0031646 k( 128) = ( 0.1125000 0.0649519 0.1837117), wk = 0.0031646 k( 129) = ( 0.1050000 0.0606218 0.1714643), wk = 0.0031646 k( 130) = ( 0.0975000 0.0562917 0.1592168), wk = 0.0031646 k( 131) = ( 0.0900000 0.0519615 0.1469694), wk = 0.0031646 k( 132) = ( 0.0825000 0.0476314 0.1347219), wk = 0.0031646 k( 133) = ( 0.0750000 0.0433013 0.1224745), wk = 0.0031646 k( 134) = ( 0.0675000 0.0389711 0.1102270), wk = 0.0031646 k( 135) = ( 0.0600000 0.0346410 0.0979796), wk = 0.0031646 k( 136) = ( 0.0525000 0.0303109 0.0857321), wk = 0.0031646 k( 137) = ( 0.0450000 0.0259808 0.0734847), wk = 0.0031646 k( 138) = ( 0.0375000 0.0216506 0.0612372), wk = 0.0031646 k( 139) = ( 0.0300000 0.0173205 0.0489898), wk = 0.0031646 k( 140) = ( 0.0225000 0.0129904 0.0367423), wk = 0.0031646 k( 141) = ( 0.0150000 0.0086603 0.0244949), wk = 0.0031646 k( 142) = ( 0.0075000 0.0043301 0.0122474), wk = 0.0031646 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 145) = ( 0.0121951 0.0070409 0.0049786), wk = 0.0031646 k( 146) = ( 0.0243902 0.0140817 0.0099573), wk = 0.0031646 k( 147) = ( 0.0365854 0.0211226 0.0149359), wk = 0.0031646 k( 148) = ( 0.0487805 0.0281634 0.0199146), wk = 0.0031646 k( 149) = ( 0.0609756 0.0352043 0.0248932), wk = 0.0031646 k( 150) = ( 0.0731707 0.0422451 0.0298718), wk = 0.0031646 k( 151) = ( 0.0853658 0.0492860 0.0348505), wk = 0.0031646 k( 152) = ( 0.0975610 0.0563269 0.0398291), wk = 0.0031646 k( 153) = ( 0.1097561 0.0633677 0.0448077), wk = 0.0031646 k( 154) = ( 0.1219512 0.0704086 0.0497864), wk = 0.0031646 k( 155) = ( 0.1341463 0.0774494 0.0547650), wk = 0.0031646 k( 156) = ( 0.1463415 0.0844903 0.0597437), wk = 0.0031646 k( 157) = ( 0.1585366 0.0915311 0.0647223), wk = 0.0031646 k( 158) = ( 0.1707317 0.0985720 0.0697009), wk = 0.0031646 k( 159) = ( 0.1829268 0.1056129 0.0746796), wk = 0.0031646 k( 160) = ( 0.1951219 0.1126537 0.0796582), wk = 0.0031646 k( 161) = ( 0.2073171 0.1196946 0.0846368), wk = 0.0031646 k( 162) = ( 0.2195122 0.1267354 0.0896155), wk = 0.0031646 k( 163) = ( 0.2317073 0.1337763 0.0945941), wk = 0.0031646 k( 164) = ( 0.2439024 0.1408171 0.0995728), wk = 0.0031646 k( 165) = ( 0.2560976 0.1478580 0.1045514), wk = 0.0031646 k( 166) = ( 0.2682927 0.1548989 0.1095300), wk = 0.0031646 k( 167) = ( 0.2804878 0.1619397 0.1145087), wk = 0.0031646 k( 168) = ( 0.2926829 0.1689806 0.1194873), wk = 0.0031646 k( 169) = ( 0.3048781 0.1760214 0.1244659), wk = 0.0031646 k( 170) = ( 0.3170732 0.1830623 0.1294446), wk = 0.0031646 k( 171) = ( 0.3292683 0.1901031 0.1344232), wk = 0.0031646 k( 172) = ( 0.3414634 0.1971440 0.1394019), wk = 0.0031646 k( 173) = ( 0.3536585 0.2041849 0.1443805), wk = 0.0031646 k( 174) = ( 0.3658537 0.2112257 0.1493591), wk = 0.0031646 k( 175) = ( 0.3780488 0.2182666 0.1543378), wk = 0.0031646 k( 176) = ( 0.3902439 0.2253074 0.1593164), wk = 0.0031646 k( 177) = ( 0.4024390 0.2323483 0.1642950), wk = 0.0031646 k( 178) = ( 0.4146341 0.2393891 0.1692737), wk = 0.0031646 k( 179) = ( 0.4268293 0.2464300 0.1742523), wk = 0.0031646 k( 180) = ( 0.4390244 0.2534708 0.1792310), wk = 0.0031646 k( 181) = ( 0.4512195 0.2605117 0.1842096), wk = 0.0031646 k( 182) = ( 0.4634146 0.2675526 0.1891882), wk = 0.0031646 k( 183) = ( 0.4756098 0.2745934 0.1941669), wk = 0.0031646 k( 184) = ( 0.4878049 0.2816343 0.1991455), wk = 0.0031646 k( 185) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031646 k( 186) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031646 k( 187) = ( 0.5043103 0.2762322 0.2111629), wk = 0.0031646 k( 188) = ( 0.5086207 0.2637893 0.2182017), wk = 0.0031646 k( 189) = ( 0.5129310 0.2513465 0.2252404), wk = 0.0031646 k( 190) = ( 0.5172414 0.2389036 0.2322792), wk = 0.0031646 k( 191) = ( 0.5215517 0.2264607 0.2393180), wk = 0.0031646 k( 192) = ( 0.5258621 0.2140178 0.2463567), wk = 0.0031646 k( 193) = ( 0.5301724 0.2015749 0.2533955), wk = 0.0031646 k( 194) = ( 0.5344828 0.1891320 0.2604343), wk = 0.0031646 k( 195) = ( 0.5387931 0.1766891 0.2674730), wk = 0.0031646 k( 196) = ( 0.5431035 0.1642462 0.2745118), wk = 0.0031646 k( 197) = ( 0.5474138 0.1518033 0.2815505), wk = 0.0031646 k( 198) = ( 0.5517241 0.1393604 0.2885893), wk = 0.0031646 k( 199) = ( 0.5560345 0.1269175 0.2956281), wk = 0.0031646 k( 200) = ( 0.5603448 0.1144746 0.3026668), wk = 0.0031646 k( 201) = ( 0.5646552 0.1020317 0.3097056), wk = 0.0031646 k( 202) = ( 0.5689655 0.0895888 0.3167444), wk = 0.0031646 k( 203) = ( 0.5732759 0.0771459 0.3237831), wk = 0.0031646 k( 204) = ( 0.5775862 0.0647030 0.3308219), wk = 0.0031646 k( 205) = ( 0.5818965 0.0522602 0.3378607), wk = 0.0031646 k( 206) = ( 0.5862069 0.0398173 0.3448994), wk = 0.0031646 k( 207) = ( 0.5905172 0.0273744 0.3519382), wk = 0.0031646 k( 208) = ( 0.5948276 0.0149315 0.3589769), wk = 0.0031646 k( 209) = ( 0.5991379 0.0024886 0.3660157), wk = 0.0031646 k( 210) = ( 0.6034483 -0.0099543 0.3730545), wk = 0.0031646 k( 211) = ( 0.6077586 -0.0223972 0.3800932), wk = 0.0031646 k( 212) = ( 0.6120690 -0.0348401 0.3871320), wk = 0.0031646 k( 213) = ( 0.6163793 -0.0472830 0.3941708), wk = 0.0031646 k( 214) = ( 0.6206897 -0.0597259 0.4012095), wk = 0.0031646 k( 215) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031646 k( 216) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031646 k( 217) = ( 0.6176471 -0.0679236 0.4202556), wk = 0.0031646 k( 218) = ( 0.6102941 -0.0636783 0.4322629), wk = 0.0031646 k( 219) = ( 0.6029412 -0.0594331 0.4442702), wk = 0.0031646 k( 220) = ( 0.5955882 -0.0551879 0.4562775), wk = 0.0031646 k( 221) = ( 0.5882353 -0.0509427 0.4682848), wk = 0.0031646 k( 222) = ( 0.5808823 -0.0466974 0.4802921), wk = 0.0031646 k( 223) = ( 0.5735294 -0.0424522 0.4922994), wk = 0.0031646 k( 224) = ( 0.5661765 -0.0382070 0.5043067), wk = 0.0031646 k( 225) = ( 0.5588235 -0.0339618 0.5163140), wk = 0.0031646 k( 226) = ( 0.5514706 -0.0297166 0.5283213), wk = 0.0031646 k( 227) = ( 0.5441177 -0.0254713 0.5403286), wk = 0.0031646 k( 228) = ( 0.5367647 -0.0212261 0.5523359), wk = 0.0031646 k( 229) = ( 0.5294118 -0.0169809 0.5643432), wk = 0.0031646 k( 230) = ( 0.5220588 -0.0127357 0.5763505), wk = 0.0031646 k( 231) = ( 0.5147059 -0.0084904 0.5883578), wk = 0.0031646 k( 232) = ( 0.5073529 -0.0042452 0.6003651), wk = 0.0031646 k( 233) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0031646 k( 234) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0031646 k( 235) = ( 0.5000000 0.0084904 0.6003651), wk = 0.0031646 k( 236) = ( 0.5000000 0.0169809 0.5883578), wk = 0.0031646 k( 237) = ( 0.5000000 0.0254713 0.5763505), wk = 0.0031646 k( 238) = ( 0.5000000 0.0339618 0.5643432), wk = 0.0031646 k( 239) = ( 0.5000000 0.0424522 0.5523359), wk = 0.0031646 k( 240) = ( 0.5000000 0.0509427 0.5403286), wk = 0.0031646 k( 241) = ( 0.5000000 0.0594331 0.5283213), wk = 0.0031646 k( 242) = ( 0.5000000 0.0679236 0.5163140), wk = 0.0031646 k( 243) = ( 0.5000000 0.0764140 0.5043067), wk = 0.0031646 k( 244) = ( 0.5000000 0.0849044 0.4922994), wk = 0.0031646 k( 245) = ( 0.5000000 0.0933949 0.4802921), wk = 0.0031646 k( 246) = ( 0.5000000 0.1018853 0.4682848), wk = 0.0031646 k( 247) = ( 0.5000000 0.1103758 0.4562775), wk = 0.0031646 k( 248) = ( 0.5000000 0.1188662 0.4442702), wk = 0.0031646 k( 249) = ( 0.5000000 0.1273567 0.4322629), wk = 0.0031646 k( 250) = ( 0.5000000 0.1358471 0.4202556), wk = 0.0031646 k( 251) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0031646 k( 252) = ( 0.5000000 0.1528280 0.3962410), wk = 0.0031646 k( 253) = ( 0.5000000 0.1613185 0.3842337), wk = 0.0031646 k( 254) = ( 0.5000000 0.1698089 0.3722264), wk = 0.0031646 k( 255) = ( 0.5000000 0.1782993 0.3602191), wk = 0.0031646 k( 256) = ( 0.5000000 0.1867898 0.3482118), wk = 0.0031646 k( 257) = ( 0.5000000 0.1952802 0.3362045), wk = 0.0031646 k( 258) = ( 0.5000000 0.2037707 0.3241972), wk = 0.0031646 k( 259) = ( 0.5000000 0.2122611 0.3121899), wk = 0.0031646 k( 260) = ( 0.5000000 0.2207516 0.3001826), wk = 0.0031646 k( 261) = ( 0.5000000 0.2292420 0.2881753), wk = 0.0031646 k( 262) = ( 0.5000000 0.2377325 0.2761680), wk = 0.0031646 k( 263) = ( 0.5000000 0.2462229 0.2641607), wk = 0.0031646 k( 264) = ( 0.5000000 0.2547134 0.2521533), wk = 0.0031646 k( 265) = ( 0.5000000 0.2632038 0.2401460), wk = 0.0031646 k( 266) = ( 0.5000000 0.2716942 0.2281387), wk = 0.0031646 k( 267) = ( 0.5000000 0.2801847 0.2161314), wk = 0.0031646 k( 268) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031646 k( 269) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031646 k( 270) = ( 0.4956897 0.2861866 0.2182017), wk = 0.0031646 k( 271) = ( 0.4913793 0.2836980 0.2322792), wk = 0.0031646 k( 272) = ( 0.4870690 0.2812094 0.2463567), wk = 0.0031646 k( 273) = ( 0.4827586 0.2787208 0.2604343), wk = 0.0031646 k( 274) = ( 0.4784483 0.2762322 0.2745118), wk = 0.0031646 k( 275) = ( 0.4741379 0.2737437 0.2885893), wk = 0.0031646 k( 276) = ( 0.4698276 0.2712551 0.3026668), wk = 0.0031646 k( 277) = ( 0.4655172 0.2687665 0.3167444), wk = 0.0031646 k( 278) = ( 0.4612069 0.2662779 0.3308219), wk = 0.0031646 k( 279) = ( 0.4568966 0.2637893 0.3448994), wk = 0.0031646 k( 280) = ( 0.4525862 0.2613008 0.3589769), wk = 0.0031646 k( 281) = ( 0.4482759 0.2588122 0.3730545), wk = 0.0031646 k( 282) = ( 0.4439655 0.2563236 0.3871320), wk = 0.0031646 k( 283) = ( 0.4396552 0.2538350 0.4012095), wk = 0.0031646 k( 284) = ( 0.4353448 0.2513465 0.4152870), wk = 0.0031646 k( 285) = ( 0.4310345 0.2488579 0.4293646), wk = 0.0031646 k( 286) = ( 0.4267241 0.2463693 0.4434421), wk = 0.0031646 k( 287) = ( 0.4224138 0.2438807 0.4575196), wk = 0.0031646 k( 288) = ( 0.4181034 0.2413921 0.4715972), wk = 0.0031646 k( 289) = ( 0.4137931 0.2389036 0.4856747), wk = 0.0031646 k( 290) = ( 0.4094828 0.2364150 0.4997522), wk = 0.0031646 k( 291) = ( 0.4051724 0.2339264 0.5138297), wk = 0.0031646 k( 292) = ( 0.4008621 0.2314378 0.5279073), wk = 0.0031646 k( 293) = ( 0.3965517 0.2289492 0.5419848), wk = 0.0031646 k( 294) = ( 0.3922414 0.2264607 0.5560623), wk = 0.0031646 k( 295) = ( 0.3879310 0.2239721 0.5701399), wk = 0.0031646 k( 296) = ( 0.3836207 0.2214835 0.5842174), wk = 0.0031646 k( 297) = ( 0.3793103 0.2189949 0.5982949), wk = 0.0031646 k( 298) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031646 k( 299) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031646 k( 300) = ( 0.6176471 -0.0849044 0.4082483), wk = 0.0031646 k( 301) = ( 0.6102941 -0.0976401 0.4082483), wk = 0.0031646 k( 302) = ( 0.6029412 -0.1103758 0.4082483), wk = 0.0031646 k( 303) = ( 0.5955882 -0.1231115 0.4082483), wk = 0.0031646 k( 304) = ( 0.5882353 -0.1358471 0.4082483), wk = 0.0031646 k( 305) = ( 0.5808823 -0.1485828 0.4082483), wk = 0.0031646 k( 306) = ( 0.5735294 -0.1613185 0.4082483), wk = 0.0031646 k( 307) = ( 0.5661765 -0.1740541 0.4082483), wk = 0.0031646 k( 308) = ( 0.5588235 -0.1867898 0.4082483), wk = 0.0031646 k( 309) = ( 0.5514706 -0.1995255 0.4082483), wk = 0.0031646 k( 310) = ( 0.5441177 -0.2122611 0.4082483), wk = 0.0031646 k( 311) = ( 0.5367647 -0.2249968 0.4082483), wk = 0.0031646 k( 312) = ( 0.5294118 -0.2377325 0.4082483), wk = 0.0031646 k( 313) = ( 0.5220588 -0.2504681 0.4082483), wk = 0.0031646 k( 314) = ( 0.5147059 -0.2632038 0.4082483), wk = 0.0031646 k( 315) = ( 0.5073529 -0.2759395 0.4082483), wk = 0.0031646 k( 316) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031646 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 2) = ( 0.0104167 -0.0000000 0.0104167), wk = 0.0031646 k( 3) = ( 0.0208333 -0.0000000 0.0208333), wk = 0.0031646 k( 4) = ( 0.0312500 0.0000000 0.0312500), wk = 0.0031646 k( 5) = ( 0.0416667 -0.0000000 0.0416667), wk = 0.0031646 k( 6) = ( 0.0520833 -0.0000000 0.0520833), wk = 0.0031646 k( 7) = ( 0.0625000 0.0000000 0.0625000), wk = 0.0031646 k( 8) = ( 0.0729167 -0.0000000 0.0729167), wk = 0.0031646 k( 9) = ( 0.0833333 -0.0000000 0.0833333), wk = 0.0031646 k( 10) = ( 0.0937500 0.0000000 0.0937500), wk = 0.0031646 k( 11) = ( 0.1041667 -0.0000000 0.1041667), wk = 0.0031646 k( 12) = ( 0.1145833 0.0000000 0.1145833), wk = 0.0031646 k( 13) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0031646 k( 14) = ( 0.1354167 -0.0000000 0.1354167), wk = 0.0031646 k( 15) = ( 0.1458333 -0.0000000 0.1458333), wk = 0.0031646 k( 16) = ( 0.1562500 -0.0000000 0.1562500), wk = 0.0031646 k( 17) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0031646 k( 18) = ( 0.1770833 -0.0000000 0.1770833), wk = 0.0031646 k( 19) = ( 0.1875000 0.0000000 0.1875000), wk = 0.0031646 k( 20) = ( 0.1979167 -0.0000000 0.1979167), wk = 0.0031646 k( 21) = ( 0.2083333 -0.0000000 0.2083333), wk = 0.0031646 k( 22) = ( 0.2187500 -0.0000000 0.2187500), wk = 0.0031646 k( 23) = ( 0.2291667 -0.0000000 0.2291667), wk = 0.0031646 k( 24) = ( 0.2395833 -0.0000000 0.2395833), wk = 0.0031646 k( 25) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0031646 k( 26) = ( 0.2604167 -0.0000000 0.2604167), wk = 0.0031646 k( 27) = ( 0.2708333 -0.0000000 0.2708333), wk = 0.0031646 k( 28) = ( 0.2812500 -0.0000000 0.2812500), wk = 0.0031646 k( 29) = ( 0.2916667 -0.0000000 0.2916667), wk = 0.0031646 k( 30) = ( 0.3020833 -0.0000000 0.3020833), wk = 0.0031646 k( 31) = ( 0.3125000 -0.0000000 0.3125000), wk = 0.0031646 k( 32) = ( 0.3229167 -0.0000000 0.3229167), wk = 0.0031646 k( 33) = ( 0.3333333 -0.0000000 0.3333333), wk = 0.0031646 k( 34) = ( 0.3437500 -0.0000000 0.3437500), wk = 0.0031646 k( 35) = ( 0.3541667 -0.0000000 0.3541667), wk = 0.0031646 k( 36) = ( 0.3645833 -0.0000000 0.3645833), wk = 0.0031646 k( 37) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0031646 k( 38) = ( 0.3854167 -0.0000000 0.3854167), wk = 0.0031646 k( 39) = ( 0.3958333 -0.0000000 0.3958333), wk = 0.0031646 k( 40) = ( 0.4062500 -0.0000000 0.4062500), wk = 0.0031646 k( 41) = ( 0.4166667 -0.0000000 0.4166667), wk = 0.0031646 k( 42) = ( 0.4270833 -0.0000000 0.4270833), wk = 0.0031646 k( 43) = ( 0.4375000 -0.0000000 0.4375000), wk = 0.0031646 k( 44) = ( 0.4479167 0.0000000 0.4479167), wk = 0.0031646 k( 45) = ( 0.4583333 0.0000000 0.4583333), wk = 0.0031646 k( 46) = ( 0.4687500 0.0000000 0.4687500), wk = 0.0031646 k( 47) = ( 0.4791667 0.0000000 0.4791667), wk = 0.0031646 k( 48) = ( 0.4895833 0.0000000 0.4895833), wk = 0.0031646 k( 49) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031646 k( 50) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031646 k( 51) = ( 0.5000000 0.0104167 0.5104167), wk = 0.0031646 k( 52) = ( 0.5000000 0.0208333 0.5208333), wk = 0.0031646 k( 53) = ( 0.5000000 0.0312500 0.5312500), wk = 0.0031646 k( 54) = ( 0.5000000 0.0416667 0.5416667), wk = 0.0031646 k( 55) = ( 0.5000000 0.0520833 0.5520833), wk = 0.0031646 k( 56) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0031646 k( 57) = ( 0.5000000 0.0729167 0.5729167), wk = 0.0031646 k( 58) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0031646 k( 59) = ( 0.5000000 0.0937500 0.5937500), wk = 0.0031646 k( 60) = ( 0.5000000 0.1041667 0.6041667), wk = 0.0031646 k( 61) = ( 0.5000000 0.1145833 0.6145833), wk = 0.0031646 k( 62) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0031646 k( 63) = ( 0.5000000 0.1354167 0.6354167), wk = 0.0031646 k( 64) = ( 0.5000000 0.1458333 0.6458333), wk = 0.0031646 k( 65) = ( 0.5000000 0.1562500 0.6562500), wk = 0.0031646 k( 66) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0031646 k( 67) = ( 0.5000000 0.1770833 0.6770833), wk = 0.0031646 k( 68) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0031646 k( 69) = ( 0.5000000 0.1979167 0.6979167), wk = 0.0031646 k( 70) = ( 0.5000000 0.2083333 0.7083333), wk = 0.0031646 k( 71) = ( 0.5000000 0.2187500 0.7187500), wk = 0.0031646 k( 72) = ( 0.5000000 0.2291667 0.7291667), wk = 0.0031646 k( 73) = ( 0.5000000 0.2395833 0.7395833), wk = 0.0031646 k( 74) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031646 k( 75) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031646 k( 76) = ( 0.4926471 0.2573529 0.7500000), wk = 0.0031646 k( 77) = ( 0.4852941 0.2647059 0.7500000), wk = 0.0031646 k( 78) = ( 0.4779412 0.2720588 0.7500000), wk = 0.0031646 k( 79) = ( 0.4705882 0.2794118 0.7500000), wk = 0.0031646 k( 80) = ( 0.4632353 0.2867647 0.7500000), wk = 0.0031646 k( 81) = ( 0.4558823 0.2941177 0.7500000), wk = 0.0031646 k( 82) = ( 0.4485294 0.3014706 0.7500000), wk = 0.0031646 k( 83) = ( 0.4411765 0.3088235 0.7500000), wk = 0.0031646 k( 84) = ( 0.4338235 0.3161765 0.7500000), wk = 0.0031646 k( 85) = ( 0.4264706 0.3235294 0.7500000), wk = 0.0031646 k( 86) = ( 0.4191177 0.3308823 0.7500000), wk = 0.0031646 k( 87) = ( 0.4117647 0.3382353 0.7500000), wk = 0.0031646 k( 88) = ( 0.4044118 0.3455882 0.7500000), wk = 0.0031646 k( 89) = ( 0.3970588 0.3529412 0.7500000), wk = 0.0031646 k( 90) = ( 0.3897059 0.3602941 0.7500000), wk = 0.0031646 k( 91) = ( 0.3823529 0.3676471 0.7500000), wk = 0.0031646 k( 92) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031646 k( 93) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031646 k( 94) = ( 0.3675000 0.3675000 0.7350000), wk = 0.0031646 k( 95) = ( 0.3600000 0.3600000 0.7200000), wk = 0.0031646 k( 96) = ( 0.3525000 0.3525000 0.7050000), wk = 0.0031646 k( 97) = ( 0.3450000 0.3450000 0.6900000), wk = 0.0031646 k( 98) = ( 0.3375000 0.3375000 0.6750000), wk = 0.0031646 k( 99) = ( 0.3300000 0.3300000 0.6600000), wk = 0.0031646 k( 100) = ( 0.3225000 0.3225000 0.6450000), wk = 0.0031646 k( 101) = ( 0.3150000 0.3150000 0.6300000), wk = 0.0031646 k( 102) = ( 0.3075000 0.3075000 0.6150000), wk = 0.0031646 k( 103) = ( 0.3000000 0.3000000 0.6000000), wk = 0.0031646 k( 104) = ( 0.2925000 0.2925000 0.5850000), wk = 0.0031646 k( 105) = ( 0.2850000 0.2850000 0.5700000), wk = 0.0031646 k( 106) = ( 0.2775000 0.2775000 0.5550000), wk = 0.0031646 k( 107) = ( 0.2700000 0.2700000 0.5400000), wk = 0.0031646 k( 108) = ( 0.2625000 0.2625000 0.5250000), wk = 0.0031646 k( 109) = ( 0.2550000 0.2550000 0.5100000), wk = 0.0031646 k( 110) = ( 0.2475000 0.2475000 0.4950000), wk = 0.0031646 k( 111) = ( 0.2400000 0.2400000 0.4800000), wk = 0.0031646 k( 112) = ( 0.2325000 0.2325000 0.4650000), wk = 0.0031646 k( 113) = ( 0.2250000 0.2250000 0.4500000), wk = 0.0031646 k( 114) = ( 0.2175000 0.2175000 0.4350000), wk = 0.0031646 k( 115) = ( 0.2100000 0.2100000 0.4200000), wk = 0.0031646 k( 116) = ( 0.2025000 0.2025000 0.4050000), wk = 0.0031646 k( 117) = ( 0.1950000 0.1950000 0.3900000), wk = 0.0031646 k( 118) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0031646 k( 119) = ( 0.1800000 0.1800000 0.3600000), wk = 0.0031646 k( 120) = ( 0.1725000 0.1725000 0.3450000), wk = 0.0031646 k( 121) = ( 0.1650000 0.1650000 0.3300000), wk = 0.0031646 k( 122) = ( 0.1575000 0.1575000 0.3150000), wk = 0.0031646 k( 123) = ( 0.1500000 0.1500000 0.3000000), wk = 0.0031646 k( 124) = ( 0.1425000 0.1425000 0.2850000), wk = 0.0031646 k( 125) = ( 0.1350000 0.1350000 0.2700000), wk = 0.0031646 k( 126) = ( 0.1275000 0.1275000 0.2550000), wk = 0.0031646 k( 127) = ( 0.1200000 0.1200000 0.2400000), wk = 0.0031646 k( 128) = ( 0.1125000 0.1125000 0.2250000), wk = 0.0031646 k( 129) = ( 0.1050000 0.1050000 0.2100000), wk = 0.0031646 k( 130) = ( 0.0975000 0.0975000 0.1950000), wk = 0.0031646 k( 131) = ( 0.0900000 0.0900000 0.1800000), wk = 0.0031646 k( 132) = ( 0.0825000 0.0825000 0.1650000), wk = 0.0031646 k( 133) = ( 0.0750000 0.0750000 0.1500000), wk = 0.0031646 k( 134) = ( 0.0675000 0.0675000 0.1350000), wk = 0.0031646 k( 135) = ( 0.0600000 0.0600000 0.1200000), wk = 0.0031646 k( 136) = ( 0.0525000 0.0525000 0.1050000), wk = 0.0031646 k( 137) = ( 0.0450000 0.0450000 0.0900000), wk = 0.0031646 k( 138) = ( 0.0375000 0.0375000 0.0750000), wk = 0.0031646 k( 139) = ( 0.0300000 0.0300000 0.0600000), wk = 0.0031646 k( 140) = ( 0.0225000 0.0225000 0.0450000), wk = 0.0031646 k( 141) = ( 0.0150000 0.0150000 0.0300000), wk = 0.0031646 k( 142) = ( 0.0075000 0.0075000 0.0150000), wk = 0.0031646 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031646 k( 145) = ( 0.0121951 0.0121951 0.0121951), wk = 0.0031646 k( 146) = ( 0.0243902 0.0243902 0.0243902), wk = 0.0031646 k( 147) = ( 0.0365854 0.0365854 0.0365854), wk = 0.0031646 k( 148) = ( 0.0487805 0.0487805 0.0487805), wk = 0.0031646 k( 149) = ( 0.0609756 0.0609756 0.0609756), wk = 0.0031646 k( 150) = ( 0.0731707 0.0731707 0.0731707), wk = 0.0031646 k( 151) = ( 0.0853658 0.0853658 0.0853658), wk = 0.0031646 k( 152) = ( 0.0975610 0.0975610 0.0975610), wk = 0.0031646 k( 153) = ( 0.1097561 0.1097561 0.1097561), wk = 0.0031646 k( 154) = ( 0.1219512 0.1219512 0.1219512), wk = 0.0031646 k( 155) = ( 0.1341463 0.1341463 0.1341463), wk = 0.0031646 k( 156) = ( 0.1463415 0.1463415 0.1463415), wk = 0.0031646 k( 157) = ( 0.1585366 0.1585366 0.1585366), wk = 0.0031646 k( 158) = ( 0.1707317 0.1707317 0.1707317), wk = 0.0031646 k( 159) = ( 0.1829268 0.1829268 0.1829268), wk = 0.0031646 k( 160) = ( 0.1951219 0.1951219 0.1951219), wk = 0.0031646 k( 161) = ( 0.2073171 0.2073171 0.2073171), wk = 0.0031646 k( 162) = ( 0.2195122 0.2195122 0.2195122), wk = 0.0031646 k( 163) = ( 0.2317073 0.2317073 0.2317073), wk = 0.0031646 k( 164) = ( 0.2439024 0.2439024 0.2439024), wk = 0.0031646 k( 165) = ( 0.2560976 0.2560976 0.2560976), wk = 0.0031646 k( 166) = ( 0.2682927 0.2682927 0.2682927), wk = 0.0031646 k( 167) = ( 0.2804878 0.2804878 0.2804878), wk = 0.0031646 k( 168) = ( 0.2926829 0.2926829 0.2926829), wk = 0.0031646 k( 169) = ( 0.3048781 0.3048781 0.3048781), wk = 0.0031646 k( 170) = ( 0.3170732 0.3170732 0.3170732), wk = 0.0031646 k( 171) = ( 0.3292683 0.3292683 0.3292683), wk = 0.0031646 k( 172) = ( 0.3414634 0.3414634 0.3414634), wk = 0.0031646 k( 173) = ( 0.3536585 0.3536585 0.3536585), wk = 0.0031646 k( 174) = ( 0.3658537 0.3658537 0.3658537), wk = 0.0031646 k( 175) = ( 0.3780488 0.3780488 0.3780488), wk = 0.0031646 k( 176) = ( 0.3902439 0.3902439 0.3902439), wk = 0.0031646 k( 177) = ( 0.4024390 0.4024390 0.4024390), wk = 0.0031646 k( 178) = ( 0.4146341 0.4146341 0.4146341), wk = 0.0031646 k( 179) = ( 0.4268293 0.4268293 0.4268293), wk = 0.0031646 k( 180) = ( 0.4390244 0.4390244 0.4390244), wk = 0.0031646 k( 181) = ( 0.4512195 0.4512195 0.4512195), wk = 0.0031646 k( 182) = ( 0.4634146 0.4634146 0.4634146), wk = 0.0031646 k( 183) = ( 0.4756098 0.4756098 0.4756098), wk = 0.0031646 k( 184) = ( 0.4878049 0.4878049 0.4878049), wk = 0.0031646 k( 185) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 186) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 187) = ( 0.5043103 0.4913793 0.5043103), wk = 0.0031646 k( 188) = ( 0.5086207 0.4827586 0.5086207), wk = 0.0031646 k( 189) = ( 0.5129310 0.4741379 0.5129310), wk = 0.0031646 k( 190) = ( 0.5172414 0.4655172 0.5172414), wk = 0.0031646 k( 191) = ( 0.5215517 0.4568966 0.5215517), wk = 0.0031646 k( 192) = ( 0.5258621 0.4482759 0.5258621), wk = 0.0031646 k( 193) = ( 0.5301724 0.4396552 0.5301724), wk = 0.0031646 k( 194) = ( 0.5344828 0.4310345 0.5344828), wk = 0.0031646 k( 195) = ( 0.5387931 0.4224138 0.5387931), wk = 0.0031646 k( 196) = ( 0.5431035 0.4137931 0.5431035), wk = 0.0031646 k( 197) = ( 0.5474138 0.4051724 0.5474138), wk = 0.0031646 k( 198) = ( 0.5517241 0.3965517 0.5517241), wk = 0.0031646 k( 199) = ( 0.5560345 0.3879310 0.5560345), wk = 0.0031646 k( 200) = ( 0.5603448 0.3793103 0.5603448), wk = 0.0031646 k( 201) = ( 0.5646552 0.3706897 0.5646552), wk = 0.0031646 k( 202) = ( 0.5689655 0.3620690 0.5689655), wk = 0.0031646 k( 203) = ( 0.5732759 0.3534483 0.5732759), wk = 0.0031646 k( 204) = ( 0.5775862 0.3448276 0.5775862), wk = 0.0031646 k( 205) = ( 0.5818965 0.3362069 0.5818965), wk = 0.0031646 k( 206) = ( 0.5862069 0.3275862 0.5862069), wk = 0.0031646 k( 207) = ( 0.5905172 0.3189655 0.5905172), wk = 0.0031646 k( 208) = ( 0.5948276 0.3103448 0.5948276), wk = 0.0031646 k( 209) = ( 0.5991379 0.3017241 0.5991379), wk = 0.0031646 k( 210) = ( 0.6034483 0.2931034 0.6034483), wk = 0.0031646 k( 211) = ( 0.6077586 0.2844828 0.6077586), wk = 0.0031646 k( 212) = ( 0.6120690 0.2758621 0.6120690), wk = 0.0031646 k( 213) = ( 0.6163793 0.2672414 0.6163793), wk = 0.0031646 k( 214) = ( 0.6206897 0.2586207 0.6206897), wk = 0.0031646 k( 215) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031646 k( 216) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031646 k( 217) = ( 0.6176471 0.2500000 0.6323529), wk = 0.0031646 k( 218) = ( 0.6102941 0.2500000 0.6397059), wk = 0.0031646 k( 219) = ( 0.6029412 0.2500000 0.6470588), wk = 0.0031646 k( 220) = ( 0.5955882 0.2500000 0.6544118), wk = 0.0031646 k( 221) = ( 0.5882353 0.2500000 0.6617647), wk = 0.0031646 k( 222) = ( 0.5808823 0.2500000 0.6691177), wk = 0.0031646 k( 223) = ( 0.5735294 0.2500000 0.6764706), wk = 0.0031646 k( 224) = ( 0.5661765 0.2500000 0.6838235), wk = 0.0031646 k( 225) = ( 0.5588235 0.2500000 0.6911765), wk = 0.0031646 k( 226) = ( 0.5514706 0.2500000 0.6985294), wk = 0.0031646 k( 227) = ( 0.5441177 0.2500000 0.7058823), wk = 0.0031646 k( 228) = ( 0.5367647 0.2500000 0.7132353), wk = 0.0031646 k( 229) = ( 0.5294118 0.2500000 0.7205882), wk = 0.0031646 k( 230) = ( 0.5220588 0.2500000 0.7279412), wk = 0.0031646 k( 231) = ( 0.5147059 0.2500000 0.7352941), wk = 0.0031646 k( 232) = ( 0.5073529 0.2500000 0.7426471), wk = 0.0031646 k( 233) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031646 k( 234) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031646 k( 235) = ( 0.5000000 0.2573529 0.7426471), wk = 0.0031646 k( 236) = ( 0.5000000 0.2647059 0.7352941), wk = 0.0031646 k( 237) = ( 0.5000000 0.2720588 0.7279412), wk = 0.0031646 k( 238) = ( 0.5000000 0.2794118 0.7205882), wk = 0.0031646 k( 239) = ( 0.5000000 0.2867647 0.7132353), wk = 0.0031646 k( 240) = ( 0.5000000 0.2941177 0.7058823), wk = 0.0031646 k( 241) = ( 0.5000000 0.3014706 0.6985294), wk = 0.0031646 k( 242) = ( 0.5000000 0.3088235 0.6911765), wk = 0.0031646 k( 243) = ( 0.5000000 0.3161765 0.6838235), wk = 0.0031646 k( 244) = ( 0.5000000 0.3235294 0.6764706), wk = 0.0031646 k( 245) = ( 0.5000000 0.3308823 0.6691177), wk = 0.0031646 k( 246) = ( 0.5000000 0.3382353 0.6617647), wk = 0.0031646 k( 247) = ( 0.5000000 0.3455882 0.6544118), wk = 0.0031646 k( 248) = ( 0.5000000 0.3529412 0.6470588), wk = 0.0031646 k( 249) = ( 0.5000000 0.3602941 0.6397059), wk = 0.0031646 k( 250) = ( 0.5000000 0.3676471 0.6323529), wk = 0.0031646 k( 251) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0031646 k( 252) = ( 0.5000000 0.3823529 0.6176471), wk = 0.0031646 k( 253) = ( 0.5000000 0.3897059 0.6102941), wk = 0.0031646 k( 254) = ( 0.5000000 0.3970588 0.6029412), wk = 0.0031646 k( 255) = ( 0.5000000 0.4044118 0.5955882), wk = 0.0031646 k( 256) = ( 0.5000000 0.4117647 0.5882353), wk = 0.0031646 k( 257) = ( 0.5000000 0.4191177 0.5808823), wk = 0.0031646 k( 258) = ( 0.5000000 0.4264706 0.5735294), wk = 0.0031646 k( 259) = ( 0.5000000 0.4338235 0.5661765), wk = 0.0031646 k( 260) = ( 0.5000000 0.4411765 0.5588235), wk = 0.0031646 k( 261) = ( 0.5000000 0.4485294 0.5514706), wk = 0.0031646 k( 262) = ( 0.5000000 0.4558823 0.5441177), wk = 0.0031646 k( 263) = ( 0.5000000 0.4632353 0.5367647), wk = 0.0031646 k( 264) = ( 0.5000000 0.4705882 0.5294118), wk = 0.0031646 k( 265) = ( 0.5000000 0.4779412 0.5220588), wk = 0.0031646 k( 266) = ( 0.5000000 0.4852941 0.5147059), wk = 0.0031646 k( 267) = ( 0.5000000 0.4926471 0.5073529), wk = 0.0031646 k( 268) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 269) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031646 k( 270) = ( 0.4956897 0.4956897 0.5086207), wk = 0.0031646 k( 271) = ( 0.4913793 0.4913793 0.5172414), wk = 0.0031646 k( 272) = ( 0.4870690 0.4870690 0.5258621), wk = 0.0031646 k( 273) = ( 0.4827586 0.4827586 0.5344828), wk = 0.0031646 k( 274) = ( 0.4784483 0.4784483 0.5431034), wk = 0.0031646 k( 275) = ( 0.4741379 0.4741379 0.5517241), wk = 0.0031646 k( 276) = ( 0.4698276 0.4698276 0.5603448), wk = 0.0031646 k( 277) = ( 0.4655172 0.4655172 0.5689655), wk = 0.0031646 k( 278) = ( 0.4612069 0.4612069 0.5775862), wk = 0.0031646 k( 279) = ( 0.4568966 0.4568966 0.5862069), wk = 0.0031646 k( 280) = ( 0.4525862 0.4525862 0.5948276), wk = 0.0031646 k( 281) = ( 0.4482759 0.4482759 0.6034483), wk = 0.0031646 k( 282) = ( 0.4439655 0.4439655 0.6120690), wk = 0.0031646 k( 283) = ( 0.4396552 0.4396552 0.6206897), wk = 0.0031646 k( 284) = ( 0.4353448 0.4353448 0.6293103), wk = 0.0031646 k( 285) = ( 0.4310345 0.4310345 0.6379310), wk = 0.0031646 k( 286) = ( 0.4267241 0.4267241 0.6465517), wk = 0.0031646 k( 287) = ( 0.4224138 0.4224138 0.6551724), wk = 0.0031646 k( 288) = ( 0.4181034 0.4181034 0.6637931), wk = 0.0031646 k( 289) = ( 0.4137931 0.4137931 0.6724138), wk = 0.0031646 k( 290) = ( 0.4094828 0.4094828 0.6810345), wk = 0.0031646 k( 291) = ( 0.4051724 0.4051724 0.6896552), wk = 0.0031646 k( 292) = ( 0.4008621 0.4008621 0.6982759), wk = 0.0031646 k( 293) = ( 0.3965517 0.3965517 0.7068965), wk = 0.0031646 k( 294) = ( 0.3922414 0.3922414 0.7155172), wk = 0.0031646 k( 295) = ( 0.3879310 0.3879310 0.7241379), wk = 0.0031646 k( 296) = ( 0.3836207 0.3836207 0.7327586), wk = 0.0031646 k( 297) = ( 0.3793103 0.3793103 0.7413793), wk = 0.0031646 k( 298) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031646 k( 299) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031646 k( 300) = ( 0.6176471 0.2352941 0.6176471), wk = 0.0031646 k( 301) = ( 0.6102941 0.2205882 0.6102941), wk = 0.0031646 k( 302) = ( 0.6029412 0.2058823 0.6029412), wk = 0.0031646 k( 303) = ( 0.5955882 0.1911765 0.5955882), wk = 0.0031646 k( 304) = ( 0.5882353 0.1764706 0.5882353), wk = 0.0031646 k( 305) = ( 0.5808823 0.1617647 0.5808823), wk = 0.0031646 k( 306) = ( 0.5735294 0.1470588 0.5735294), wk = 0.0031646 k( 307) = ( 0.5661765 0.1323529 0.5661765), wk = 0.0031646 k( 308) = ( 0.5588235 0.1176471 0.5588235), wk = 0.0031646 k( 309) = ( 0.5514706 0.1029412 0.5514706), wk = 0.0031646 k( 310) = ( 0.5441177 0.0882353 0.5441177), wk = 0.0031646 k( 311) = ( 0.5367647 0.0735294 0.5367647), wk = 0.0031646 k( 312) = ( 0.5294118 0.0588235 0.5294118), wk = 0.0031646 k( 313) = ( 0.5220588 0.0441176 0.5220588), wk = 0.0031646 k( 314) = ( 0.5147059 0.0294118 0.5147059), wk = 0.0031646 k( 315) = ( 0.5073529 0.0147059 0.5073529), wk = 0.0031646 k( 316) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031646 Dense grid: 70913 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.29 Mb ( 496, 38) NL pseudopotentials 0.31 Mb ( 248, 82) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 1969) G-vector shells 0.00 Mb ( 495) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.15 Mb ( 496, 152) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.10 Mb ( 82, 2, 38) The potential is recalculated from file : ./LiInSn.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 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 4.0 secs Computing kpt #: 4 total cpu time spent up to now is 4.5 secs Computing kpt #: 5 total cpu time spent up to now is 5.0 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 5.9 secs Computing kpt #: 8 total cpu time spent up to now is 6.4 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 8.4 secs Computing kpt #: 13 total cpu time spent up to now is 8.9 secs Computing kpt #: 14 total cpu time spent up to now is 9.4 secs Computing kpt #: 15 total cpu time spent up to now is 9.9 secs Computing kpt #: 16 total cpu time spent up to now is 10.4 secs Computing kpt #: 17 total cpu time spent up to now is 10.9 secs Computing kpt #: 18 total cpu time spent up to now is 11.5 secs Computing kpt #: 19 total cpu time spent up to now is 12.0 secs Computing kpt #: 20 total cpu time spent up to now is 12.6 secs Computing kpt #: 21 total cpu time spent up to now is 13.1 secs Computing kpt #: 22 total cpu time spent up to now is 13.7 secs Computing kpt #: 23 total cpu time spent up to now is 14.2 secs Computing kpt #: 24 total cpu time spent up to now is 14.7 secs Computing kpt #: 25 total cpu time spent up to now is 15.2 secs Computing kpt #: 26 total cpu time spent up to now is 15.8 secs Computing kpt #: 27 total cpu time spent up to now is 16.3 secs Computing kpt #: 28 total cpu time spent up to now is 16.9 secs Computing kpt #: 29 total cpu time spent up to now is 17.4 secs Computing kpt #: 30 total cpu time spent up to now is 18.0 secs Computing kpt #: 31 total cpu time spent up to now is 18.4 secs Computing kpt #: 32 total cpu time spent up to now is 19.0 secs Computing kpt #: 33 total cpu time spent up to now is 19.8 secs Computing kpt #: 34 total cpu time spent up to now is 20.3 secs Computing kpt #: 35 total cpu time spent up to now is 20.8 secs Computing kpt #: 36 total cpu time spent up to now is 21.3 secs Computing kpt #: 37 total cpu time spent up to now is 21.8 secs Computing kpt #: 38 total cpu time spent up to now is 22.3 secs Computing kpt #: 39 total cpu time spent up to now is 22.8 secs Computing kpt #: 40 total cpu time spent up to now is 23.3 secs Computing kpt #: 41 total cpu time spent up to now is 23.8 secs Computing kpt #: 42 total cpu time spent up to now is 24.2 secs Computing kpt #: 43 total cpu time spent up to now is 24.8 secs Computing kpt #: 44 total cpu time spent up to now is 25.2 secs Computing kpt #: 45 total cpu time spent up to now is 25.7 secs Computing kpt #: 46 total cpu time spent up to now is 26.2 secs Computing kpt #: 47 total cpu time spent up to now is 26.8 secs Computing kpt #: 48 total cpu time spent up to now is 27.3 secs Computing kpt #: 49 total cpu time spent up to now is 27.8 secs Computing kpt #: 50 total cpu time spent up to now is 28.3 secs Computing kpt #: 51 total cpu time spent up to now is 28.8 secs Computing kpt #: 52 total cpu time spent up to now is 29.4 secs Computing kpt #: 53 total cpu time spent up to now is 29.9 secs Computing kpt #: 54 total cpu time spent up to now is 30.4 secs Computing kpt #: 55 total cpu time spent up to now is 30.9 secs Computing kpt #: 56 total cpu time spent up to now is 31.4 secs Computing kpt #: 57 total cpu time spent up to now is 31.9 secs Computing kpt #: 58 total cpu time spent up to now is 32.5 secs Computing kpt #: 59 total cpu time spent up to now is 33.0 secs Computing kpt #: 60 total cpu time spent up to now is 33.5 secs Computing kpt #: 61 total cpu time spent up to now is 34.1 secs Computing kpt #: 62 total cpu time spent up to now is 34.6 secs Computing kpt #: 63 total cpu time spent up to now is 35.2 secs Computing kpt #: 64 total cpu time spent up to now is 35.7 secs Computing kpt #: 65 total cpu time spent up to now is 36.2 secs Computing kpt #: 66 total cpu time spent up to now is 36.7 secs Computing kpt #: 67 total cpu time spent up to now is 37.2 secs Computing kpt #: 68 total cpu time spent up to now is 37.7 secs Computing kpt #: 69 total cpu time spent up to now is 38.2 secs Computing kpt #: 70 total cpu time spent up to now is 38.7 secs Computing kpt #: 71 total cpu time spent up to now is 39.2 secs Computing kpt #: 72 total cpu time spent up to now is 39.6 secs Computing kpt #: 73 total cpu time spent up to now is 40.1 secs Computing kpt #: 74 total cpu time spent up to now is 40.6 secs Computing kpt #: 75 total cpu time spent up to now is 41.1 secs Computing kpt #: 76 total cpu time spent up to now is 41.6 secs Computing kpt #: 77 total cpu time spent up to now is 42.2 secs Computing kpt #: 78 total cpu time spent up to now is 42.6 secs Computing kpt #: 79 total cpu time spent up to now is 43.2 secs Computing kpt #: 80 total cpu time spent up to now is 43.7 secs Computing kpt #: 81 total cpu time spent up to now is 44.2 secs Computing kpt #: 82 total cpu time spent up to now is 44.8 secs Computing kpt #: 83 total cpu time spent up to now is 45.2 secs Computing kpt #: 84 total cpu time spent up to now is 45.8 secs Computing kpt #: 85 total cpu time spent up to now is 46.3 secs Computing kpt #: 86 total cpu time spent up to now is 46.8 secs Computing kpt #: 87 total cpu time spent up to now is 47.4 secs Computing kpt #: 88 total cpu time spent up to now is 48.0 secs Computing kpt #: 89 total cpu time spent up to now is 48.5 secs Computing kpt #: 90 total cpu time spent up to now is 49.0 secs Computing kpt #: 91 total cpu time spent up to now is 49.5 secs Computing kpt #: 92 total cpu time spent up to now is 50.1 secs Computing kpt #: 93 total cpu time spent up to now is 50.6 secs Computing kpt #: 94 total cpu time spent up to now is 51.1 secs Computing kpt #: 95 total cpu time spent up to now is 51.6 secs Computing kpt #: 96 total cpu time spent up to now is 52.2 secs Computing kpt #: 97 total cpu time spent up to now is 52.8 secs Computing kpt #: 98 total cpu time spent up to now is 53.3 secs Computing kpt #: 99 total cpu time spent up to now is 53.9 secs Computing kpt #: 100 total cpu time spent up to now is 54.4 secs Computing kpt #: 101 total cpu time spent up to now is 54.9 secs Computing kpt #: 102 total cpu time spent up to now is 55.5 secs Computing kpt #: 103 total cpu time spent up to now is 56.0 secs Computing kpt #: 104 total cpu time spent up to now is 56.5 secs Computing kpt #: 105 total cpu time spent up to now is 57.0 secs Computing kpt #: 106 total cpu time spent up to now is 57.6 secs Computing kpt #: 107 total cpu time spent up to now is 58.0 secs Computing kpt #: 108 total cpu time spent up to now is 58.6 secs Computing kpt #: 109 total cpu time spent up to now is 59.0 secs Computing kpt #: 110 total cpu time spent up to now is 59.5 secs Computing kpt #: 111 total cpu time spent up to now is 60.0 secs Computing kpt #: 112 total cpu time spent up to now is 60.5 secs Computing kpt #: 113 total cpu time spent up to now is 61.0 secs Computing kpt #: 114 total cpu time spent up to now is 61.5 secs Computing kpt #: 115 total cpu time spent up to now is 62.1 secs Computing kpt #: 116 total cpu time spent up to now is 62.5 secs Computing kpt #: 117 total cpu time spent up to now is 63.0 secs Computing kpt #: 118 total cpu time spent up to now is 63.5 secs Computing kpt #: 119 total cpu time spent up to now is 64.1 secs Computing kpt #: 120 total cpu time spent up to now is 64.6 secs Computing kpt #: 121 total cpu time spent up to now is 65.1 secs Computing kpt #: 122 total cpu time spent up to now is 65.6 secs Computing kpt #: 123 total cpu time spent up to now is 66.0 secs Computing kpt #: 124 total cpu time spent up to now is 66.5 secs Computing kpt #: 125 total cpu time spent up to now is 67.1 secs Computing kpt #: 126 total cpu time spent up to now is 67.6 secs Computing kpt #: 127 total cpu time spent up to now is 68.1 secs Computing kpt #: 128 total cpu time spent up to now is 68.7 secs Computing kpt #: 129 total cpu time spent up to now is 69.2 secs Computing kpt #: 130 total cpu time spent up to now is 69.8 secs Computing kpt #: 131 total cpu time spent up to now is 70.2 secs Computing kpt #: 132 total cpu time spent up to now is 70.8 secs Computing kpt #: 133 total cpu time spent up to now is 71.3 secs Computing kpt #: 134 total cpu time spent up to now is 71.8 secs Computing kpt #: 135 total cpu time spent up to now is 72.2 secs Computing kpt #: 136 total cpu time spent up to now is 72.8 secs Computing kpt #: 137 total cpu time spent up to now is 73.2 secs Computing kpt #: 138 total cpu time spent up to now is 73.8 secs Computing kpt #: 139 total cpu time spent up to now is 74.2 secs Computing kpt #: 140 total cpu time spent up to now is 74.8 secs Computing kpt #: 141 total cpu time spent up to now is 75.2 secs Computing kpt #: 142 total cpu time spent up to now is 75.8 secs Computing kpt #: 143 total cpu time spent up to now is 76.2 secs Computing kpt #: 144 total cpu time spent up to now is 76.7 secs Computing kpt #: 145 total cpu time spent up to now is 77.2 secs Computing kpt #: 146 total cpu time spent up to now is 77.6 secs Computing kpt #: 147 total cpu time spent up to now is 78.1 secs Computing kpt #: 148 total cpu time spent up to now is 78.6 secs Computing kpt #: 149 total cpu time spent up to now is 79.2 secs Computing kpt #: 150 total cpu time spent up to now is 79.7 secs Computing kpt #: 151 total cpu time spent up to now is 80.2 secs Computing kpt #: 152 total cpu time spent up to now is 80.7 secs Computing kpt #: 153 total cpu time spent up to now is 81.2 secs Computing kpt #: 154 total cpu time spent up to now is 81.7 secs Computing kpt #: 155 total cpu time spent up to now is 82.2 secs Computing kpt #: 156 total cpu time spent up to now is 82.7 secs Computing kpt #: 157 total cpu time spent up to now is 83.2 secs Computing kpt #: 158 total cpu time spent up to now is 83.6 secs Computing kpt #: 159 total cpu time spent up to now is 84.1 secs Computing kpt #: 160 total cpu time spent up to now is 84.6 secs Computing kpt #: 161 total cpu time spent up to now is 85.1 secs Computing kpt #: 162 total cpu time spent up to now is 85.6 secs Computing kpt #: 163 total cpu time spent up to now is 86.2 secs Computing kpt #: 164 total cpu time spent up to now is 86.7 secs Computing kpt #: 165 total cpu time spent up to now is 87.2 secs Computing kpt #: 166 total cpu time spent up to now is 87.8 secs Computing kpt #: 167 total cpu time spent up to now is 88.4 secs Computing kpt #: 168 total cpu time spent up to now is 89.0 secs Computing kpt #: 169 total cpu time spent up to now is 89.6 secs Computing kpt #: 170 total cpu time spent up to now is 90.2 secs Computing kpt #: 171 total cpu time spent up to now is 90.8 secs Computing kpt #: 172 total cpu time spent up to now is 91.4 secs Computing kpt #: 173 total cpu time spent up to now is 91.9 secs Computing kpt #: 174 total cpu time spent up to now is 92.4 secs Computing kpt #: 175 total cpu time spent up to now is 93.0 secs Computing kpt #: 176 total cpu time spent up to now is 93.5 secs Computing kpt #: 177 total cpu time spent up to now is 94.0 secs Computing kpt #: 178 total cpu time spent up to now is 94.6 secs Computing kpt #: 179 total cpu time spent up to now is 95.1 secs Computing kpt #: 180 total cpu time spent up to now is 95.6 secs Computing kpt #: 181 total cpu time spent up to now is 96.1 secs Computing kpt #: 182 total cpu time spent up to now is 96.6 secs Computing kpt #: 183 total cpu time spent up to now is 97.0 secs Computing kpt #: 184 total cpu time spent up to now is 97.5 secs Computing kpt #: 185 total cpu time spent up to now is 98.0 secs Computing kpt #: 186 total cpu time spent up to now is 98.5 secs Computing kpt #: 187 total cpu time spent up to now is 99.0 secs Computing kpt #: 188 total cpu time spent up to now is 99.5 secs Computing kpt #: 189 total cpu time spent up to now is 100.0 secs Computing kpt #: 190 total cpu time spent up to now is 100.5 secs Computing kpt #: 191 total cpu time spent up to now is 101.0 secs Computing kpt #: 192 total cpu time spent up to now is 101.4 secs Computing kpt #: 193 total cpu time spent up to now is 102.0 secs Computing kpt #: 194 total cpu time spent up to now is 102.5 secs Computing kpt #: 195 total cpu time spent up to now is 103.1 secs Computing kpt #: 196 total cpu time spent up to now is 103.6 secs Computing kpt #: 197 total cpu time spent up to now is 104.2 secs Computing kpt #: 198 total cpu time spent up to now is 104.8 secs Computing kpt #: 199 total cpu time spent up to now is 105.3 secs Computing kpt #: 200 total cpu time spent up to now is 105.8 secs Computing kpt #: 201 total cpu time spent up to now is 106.3 secs Computing kpt #: 202 total cpu time spent up to now is 106.8 secs Computing kpt #: 203 total cpu time spent up to now is 107.4 secs Computing kpt #: 204 total cpu time spent up to now is 107.9 secs Computing kpt #: 205 total cpu time spent up to now is 108.4 secs Computing kpt #: 206 total cpu time spent up to now is 108.9 secs Computing kpt #: 207 total cpu time spent up to now is 109.4 secs Computing kpt #: 208 total cpu time spent up to now is 109.9 secs Computing kpt #: 209 total cpu time spent up to now is 110.4 secs Computing kpt #: 210 total cpu time spent up to now is 111.0 secs Computing kpt #: 211 total cpu time spent up to now is 111.5 secs Computing kpt #: 212 total cpu time spent up to now is 112.0 secs Computing kpt #: 213 total cpu time spent up to now is 112.5 secs Computing kpt #: 214 total cpu time spent up to now is 113.3 secs Computing kpt #: 215 total cpu time spent up to now is 114.0 secs Computing kpt #: 216 total cpu time spent up to now is 114.7 secs Computing kpt #: 217 total cpu time spent up to now is 115.2 secs Computing kpt #: 218 total cpu time spent up to now is 115.7 secs Computing kpt #: 219 total cpu time spent up to now is 116.2 secs Computing kpt #: 220 total cpu time spent up to now is 116.8 secs Computing kpt #: 221 total cpu time spent up to now is 117.4 secs Computing kpt #: 222 total cpu time spent up to now is 118.0 secs Computing kpt #: 223 total cpu time spent up to now is 118.6 secs Computing kpt #: 224 total cpu time spent up to now is 119.1 secs Computing kpt #: 225 total cpu time spent up to now is 119.7 secs Computing kpt #: 226 total cpu time spent up to now is 120.2 secs Computing kpt #: 227 total cpu time spent up to now is 120.7 secs Computing kpt #: 228 total cpu time spent up to now is 121.2 secs Computing kpt #: 229 total cpu time spent up to now is 121.7 secs Computing kpt #: 230 total cpu time spent up to now is 122.2 secs Computing kpt #: 231 total cpu time spent up to now is 122.6 secs Computing kpt #: 232 total cpu time spent up to now is 123.2 secs Computing kpt #: 233 total cpu time spent up to now is 123.7 secs Computing kpt #: 234 total cpu time spent up to now is 124.1 secs Computing kpt #: 235 total cpu time spent up to now is 124.6 secs Computing kpt #: 236 total cpu time spent up to now is 125.2 secs Computing kpt #: 237 total cpu time spent up to now is 125.9 secs Computing kpt #: 238 total cpu time spent up to now is 126.4 secs Computing kpt #: 239 total cpu time spent up to now is 126.9 secs Computing kpt #: 240 total cpu time spent up to now is 127.4 secs Computing kpt #: 241 total cpu time spent up to now is 127.9 secs Computing kpt #: 242 total cpu time spent up to now is 128.4 secs Computing kpt #: 243 total cpu time spent up to now is 128.9 secs Computing kpt #: 244 total cpu time spent up to now is 129.5 secs Computing kpt #: 245 total cpu time spent up to now is 130.0 secs Computing kpt #: 246 total cpu time spent up to now is 130.6 secs Computing kpt #: 247 total cpu time spent up to now is 131.1 secs Computing kpt #: 248 total cpu time spent up to now is 131.7 secs Computing kpt #: 249 total cpu time spent up to now is 132.2 secs Computing kpt #: 250 total cpu time spent up to now is 132.7 secs Computing kpt #: 251 total cpu time spent up to now is 133.3 secs Computing kpt #: 252 total cpu time spent up to now is 133.8 secs Computing kpt #: 253 total cpu time spent up to now is 134.4 secs Computing kpt #: 254 total cpu time spent up to now is 134.9 secs Computing kpt #: 255 total cpu time spent up to now is 135.4 secs Computing kpt #: 256 total cpu time spent up to now is 136.0 secs Computing kpt #: 257 total cpu time spent up to now is 136.6 secs Computing kpt #: 258 total cpu time spent up to now is 137.1 secs Computing kpt #: 259 total cpu time spent up to now is 137.7 secs Computing kpt #: 260 total cpu time spent up to now is 138.3 secs Computing kpt #: 261 total cpu time spent up to now is 138.8 secs Computing kpt #: 262 total cpu time spent up to now is 139.3 secs Computing kpt #: 263 total cpu time spent up to now is 139.8 secs Computing kpt #: 264 total cpu time spent up to now is 140.3 secs Computing kpt #: 265 total cpu time spent up to now is 140.9 secs Computing kpt #: 266 total cpu time spent up to now is 141.4 secs Computing kpt #: 267 total cpu time spent up to now is 141.8 secs Computing kpt #: 268 total cpu time spent up to now is 142.3 secs Computing kpt #: 269 total cpu time spent up to now is 142.8 secs Computing kpt #: 270 total cpu time spent up to now is 143.3 secs Computing kpt #: 271 total cpu time spent up to now is 143.8 secs Computing kpt #: 272 total cpu time spent up to now is 144.3 secs Computing kpt #: 273 total cpu time spent up to now is 144.8 secs Computing kpt #: 274 total cpu time spent up to now is 145.3 secs Computing kpt #: 275 total cpu time spent up to now is 145.8 secs Computing kpt #: 276 total cpu time spent up to now is 146.3 secs Computing kpt #: 277 total cpu time spent up to now is 146.9 secs Computing kpt #: 278 total cpu time spent up to now is 147.4 secs Computing kpt #: 279 total cpu time spent up to now is 147.9 secs Computing kpt #: 280 total cpu time spent up to now is 148.5 secs Computing kpt #: 281 total cpu time spent up to now is 149.0 secs Computing kpt #: 282 total cpu time spent up to now is 149.5 secs Computing kpt #: 283 total cpu time spent up to now is 150.1 secs Computing kpt #: 284 total cpu time spent up to now is 150.6 secs Computing kpt #: 285 total cpu time spent up to now is 151.1 secs Computing kpt #: 286 total cpu time spent up to now is 151.6 secs Computing kpt #: 287 total cpu time spent up to now is 152.1 secs Computing kpt #: 288 total cpu time spent up to now is 152.7 secs Computing kpt #: 289 total cpu time spent up to now is 153.2 secs Computing kpt #: 290 total cpu time spent up to now is 153.7 secs Computing kpt #: 291 total cpu time spent up to now is 154.2 secs Computing kpt #: 292 total cpu time spent up to now is 154.7 secs Computing kpt #: 293 total cpu time spent up to now is 155.2 secs Computing kpt #: 294 total cpu time spent up to now is 156.1 secs Computing kpt #: 295 total cpu time spent up to now is 156.6 secs Computing kpt #: 296 total cpu time spent up to now is 157.2 secs Computing kpt #: 297 total cpu time spent up to now is 157.7 secs Computing kpt #: 298 total cpu time spent up to now is 158.2 secs Computing kpt #: 299 total cpu time spent up to now is 158.8 secs Computing kpt #: 300 total cpu time spent up to now is 159.3 secs Computing kpt #: 301 total cpu time spent up to now is 159.8 secs Computing kpt #: 302 total cpu time spent up to now is 160.4 secs Computing kpt #: 303 total cpu time spent up to now is 160.9 secs Computing kpt #: 304 total cpu time spent up to now is 161.4 secs Computing kpt #: 305 total cpu time spent up to now is 161.9 secs Computing kpt #: 306 total cpu time spent up to now is 162.4 secs Computing kpt #: 307 total cpu time spent up to now is 163.0 secs Computing kpt #: 308 total cpu time spent up to now is 163.4 secs Computing kpt #: 309 total cpu time spent up to now is 164.0 secs Computing kpt #: 310 total cpu time spent up to now is 164.5 secs Computing kpt #: 311 total cpu time spent up to now is 165.0 secs Computing kpt #: 312 total cpu time spent up to now is 165.5 secs Computing kpt #: 313 total cpu time spent up to now is 166.1 secs Computing kpt #: 314 total cpu time spent up to now is 166.6 secs Computing kpt #: 315 total cpu time spent up to now is 167.1 secs Computing kpt #: 316 total cpu time spent up to now is 167.6 secs ethr = 3.33E-08, avg # of iterations = 16.0 total cpu time spent up to now is 167.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8801 PWs) bands (ev): -39.5007 -39.5007 -14.0590 -14.0590 -14.0590 -14.0590 -13.0332 -13.0332 -13.0218 -13.0218 -13.0218 -13.0218 -7.3574 -7.3574 -7.3574 -7.3574 -6.5438 -6.5438 -6.4901 -6.4901 -6.4901 -6.4901 -1.8212 -1.8212 7.8956 7.8956 7.9630 7.9630 8.5326 8.5326 8.5326 8.5326 9.5036 9.5036 9.8470 9.8470 9.8470 9.8470 k = 0.0104-0.0060 0.0085 ( 8805 PWs) bands (ev): -39.5007 -39.5007 -14.0591 -14.0591 -14.0590 -14.0590 -13.0332 -13.0332 -13.0218 -13.0218 -13.0217 -13.0217 -7.3576 -7.3576 -7.3572 -7.3572 -6.5438 -6.5438 -6.4903 -6.4903 -6.4899 -6.4899 -1.8199 -1.8199 7.8245 7.8245 8.0053 8.0053 8.5168 8.5168 8.5512 8.5512 9.5147 9.5147 9.8492 9.8492 9.8580 9.8580 k = 0.0208-0.0120 0.0170 ( 8821 PWs) bands (ev): -39.5007 -39.5007 -14.0591 -14.0591 -14.0590 -14.0590 -13.0332 -13.0332 -13.0219 -13.0219 -13.0217 -13.0217 -7.3577 -7.3577 -7.3569 -7.3569 -6.5438 -6.5438 -6.4905 -6.4905 -6.4897 -6.4897 -1.8160 -1.8160 7.7111 7.7111 8.0339 8.0339 8.4724 8.4724 8.6062 8.6062 9.5429 9.5429 9.8583 9.8583 9.8901 9.8901 k = 0.0312-0.0180 0.0255 ( 8821 PWs) bands (ev): -39.5007 -39.5007 -14.0591 -14.0591 -14.0589 -14.0589 -13.0332 -13.0332 -13.0219 -13.0219 -13.0216 -13.0216 -7.3579 -7.3579 -7.3567 -7.3567 -6.5437 -6.5437 -6.4906 -6.4906 -6.4895 -6.4895 -1.8094 -1.8094 7.5852 7.5852 8.0270 8.0270 8.4058 8.4058 8.6915 8.6915 9.5740 9.5740 9.8822 9.8822 9.9414 9.9414 k = 0.0417-0.0241 0.0340 ( 8821 PWs) bands (ev): -39.5007 -39.5007 -14.0591 -14.0591 -14.0589 -14.0589 -13.0331 -13.0331 -13.0220 -13.0220 -13.0216 -13.0216 -7.3581 -7.3581 -7.3565 -7.3565 -6.5436 -6.5436 -6.4908 -6.4908 -6.4894 -6.4894 -1.8002 -1.8002 7.4523 7.4523 7.9918 7.9918 8.3239 8.3239 8.7965 8.7965 9.5928 9.5928 9.9305 9.9305 10.0092 10.0092 k = 0.0521-0.0301 0.0425 ( 8841 PWs) bands (ev): -39.5007 -39.5007 -14.0592 -14.0592 -14.0589 -14.0589 -13.0331 -13.0331 -13.0220 -13.0220 -13.0215 -13.0215 -7.3582 -7.3582 -7.3562 -7.3562 -6.5435 -6.5435 -6.4910 -6.4910 -6.4892 -6.4892 -1.7883 -1.7883 7.3151 7.3151 7.9369 7.9369 8.2319 8.2319 8.9119 8.9119 9.5930 9.5930 10.0051 10.0051 10.0907 10.0907 k = 0.0625-0.0361 0.0510 ( 8845 PWs) bands (ev): -39.5007 -39.5007 -14.0592 -14.0592 -14.0588 -14.0588 -13.0331 -13.0331 -13.0220 -13.0220 -13.0214 -13.0214 -7.3584 -7.3584 -7.3559 -7.3559 -6.5433 -6.5433 -6.4911 -6.4911 -6.4890 -6.4890 -1.7739 -1.7739 7.1751 7.1751 7.8687 7.8687 8.1338 8.1338 9.0308 9.0308 9.5792 9.5792 10.0998 10.0998 10.1833 10.1833 k = 0.0729-0.0421 0.0595 ( 8869 PWs) bands (ev): -39.5007 -39.5007 -14.0592 -14.0592 -14.0588 -14.0588 -13.0331 -13.0331 -13.0220 -13.0220 -13.0214 -13.0214 -7.3585 -7.3585 -7.3556 -7.3556 -6.5432 -6.5432 -6.4913 -6.4913 -6.4888 -6.4888 -1.7568 -1.7568 7.0331 7.0331 7.7917 7.7917 8.0319 8.0319 9.1466 9.1466 9.5600 9.5600 10.2073 10.2073 10.2850 10.2850 k = 0.0833-0.0481 0.0680 ( 8873 PWs) bands (ev): -39.5007 -39.5007 -14.0592 -14.0592 -14.0587 -14.0587 -13.0331 -13.0331 -13.0221 -13.0221 -13.0213 -13.0213 -7.3587 -7.3587 -7.3553 -7.3553 -6.5430 -6.5430 -6.4914 -6.4914 -6.4886 -6.4886 -1.7371 -1.7371 6.8897 6.8897 7.7087 7.7087 7.9281 7.9281 9.2477 9.2477 9.5485 9.5485 10.3227 10.3227 10.3940 10.3940 k = 0.0938-0.0541 0.0765 ( 8877 PWs) bands (ev): -39.5007 -39.5007 -14.0592 -14.0592 -14.0587 -14.0587 -13.0331 -13.0331 -13.0221 -13.0221 -13.0212 -13.0212 -7.3589 -7.3589 -7.3549 -7.3549 -6.5428 -6.5428 -6.4915 -6.4915 -6.4885 -6.4885 -1.7148 -1.7148 6.7451 6.7451 7.6217 7.6217 7.8234 7.8234 9.3091 9.3091 9.5704 9.5704 10.4429 10.4429 10.5092 10.5092 k = 0.1042-0.0601 0.0851 ( 8861 PWs) bands (ev): -39.5007 -39.5007 -14.0592 -14.0592 -14.0586 -14.0586 -13.0330 -13.0330 -13.0220 -13.0220 -13.0211 -13.0211 -7.3590 -7.3590 -7.3546 -7.3546 -6.5426 -6.5426 -6.4916 -6.4916 -6.4883 -6.4883 -1.6899 -1.6899 6.5997 6.5997 7.5322 7.5322 7.7187 7.7187 9.3145 9.3145 9.6421 9.6421 10.5659 10.5659 10.6294 10.6294 k = 0.1146-0.0662 0.0936 ( 8873 PWs) bands (ev): -39.5007 -39.5007 -14.0592 -14.0592 -14.0586 -14.0586 -13.0330 -13.0330 -13.0220 -13.0220 -13.0210 -13.0210 -7.3592 -7.3592 -7.3542 -7.3542 -6.5423 -6.5423 -6.4916 -6.4916 -6.4881 -6.4881 -1.6624 -1.6624 6.4535 6.4535 7.4412 7.4412 7.6146 7.6146 9.2862 9.2862 9.7404 9.7404 10.6903 10.6903 10.7538 10.7538 k = 0.1250-0.0722 0.1021 ( 8893 PWs) bands (ev): -39.5007 -39.5007 -14.0592 -14.0592 -14.0585 -14.0585 -13.0330 -13.0330 -13.0220 -13.0220 -13.0209 -13.0209 -7.3593 -7.3593 -7.3538 -7.3538 -6.5421 -6.5421 -6.4916 -6.4916 -6.4880 -6.4880 -1.6323 -1.6323 6.3068 6.3068 7.3497 7.3497 7.5116 7.5116 9.2444 9.2444 9.8441 9.8441 10.8152 10.8152 10.8815 10.8815 k = 0.1354-0.0782 0.1106 ( 8885 PWs) bands (ev): -39.5007 -39.5007 -14.0591 -14.0591 -14.0585 -14.0585 -13.0329 -13.0329 -13.0220 -13.0220 -13.0208 -13.0208 -7.3595 -7.3595 -7.3534 -7.3534 -6.5418 -6.5418 -6.4917 -6.4917 -6.4878 -6.4878 -1.5996 -1.5996 6.1596 6.1596 7.2582 7.2582 7.4098 7.4098 9.1967 9.1967 9.9430 9.9430 10.9401 10.9401 11.0116 11.0116 k = 0.1458-0.0842 0.1191 ( 8897 PWs) bands (ev): -39.5007 -39.5007 -14.0591 -14.0591 -14.0584 -14.0584 -13.0329 -13.0329 -13.0220 -13.0220 -13.0207 -13.0207 -7.3597 -7.3597 -7.3529 -7.3529 -6.5416 -6.5416 -6.4916 -6.4916 -6.4877 -6.4877 -1.5643 -1.5643 6.0120 6.0120 7.1671 7.1671 7.3098 7.3098 9.1463 9.1463 10.0309 10.0309 11.0642 11.0642 11.1434 11.1434 k = 0.1562-0.0902 0.1276 ( 8889 PWs) bands (ev): -39.5007 -39.5007 -14.0591 -14.0591 -14.0583 -14.0583 -13.0328 -13.0328 -13.0220 -13.0220 -13.0206 -13.0206 -7.3598 -7.3598 -7.3525 -7.3525 -6.5413 -6.5413 -6.4916 -6.4916 -6.4876 -6.4876 -1.5265 -1.5265 5.8641 5.8641 7.0769 7.0769 7.2115 7.2115 9.0948 9.0948 10.1025 10.1025 11.1866 11.1866 11.2761 11.2761 k = 0.1667-0.0962 0.1361 ( 8889 PWs) bands (ev): -39.5007 -39.5007 -14.0591 -14.0591 -14.0583 -14.0583 -13.0328 -13.0328 -13.0219 -13.0219 -13.0205 -13.0205 -7.3600 -7.3600 -7.3520 -7.3520 -6.5410 -6.5410 -6.4915 -6.4915 -6.4874 -6.4874 -1.4861 -1.4861 5.7160 5.7160 6.9880 6.9880 7.1152 7.1152 9.0431 9.0431 10.1530 10.1530 11.3060 11.3060 11.4093 11.4093 k = 0.1771-0.1022 0.1446 ( 8881 PWs) bands (ev): -39.5007 -39.5007 -14.0590 -14.0590 -14.0582 -14.0582 -13.0327 -13.0327 -13.0219 -13.0219 -13.0204 -13.0204 -7.3602 -7.3602 -7.3515 -7.3515 -6.5408 -6.5408 -6.4914 -6.4914 -6.4873 -6.4873 -1.4432 -1.4432 5.5677 5.5677 6.9005 6.9005 7.0211 7.0211 8.9918 8.9918 10.1789 10.1789 11.4209 11.4209 11.5425 11.5425 k = 0.1875-0.1083 0.1531 ( 8889 PWs) bands (ev): -39.5007 -39.5007 -14.0590 -14.0590 -14.0581 -14.0581 -13.0327 -13.0327 -13.0219 -13.0219 -13.0203 -13.0203 -7.3604 -7.3604 -7.3511 -7.3511 -6.5405 -6.5405 -6.4913 -6.4913 -6.4872 -6.4872 -1.3977 -1.3977 5.4194 5.4194 6.8146 6.8146 6.9292 6.9292 8.9412 8.9412 10.1795 10.1795 11.5305 11.5305 11.6753 11.6753 k = 0.1979-0.1143 0.1616 ( 8896 PWs) bands (ev): -39.5007 -39.5007 -14.0590 -14.0590 -14.0581 -14.0581 -13.0326 -13.0326 -13.0218 -13.0218 -13.0202 -13.0202 -7.3605 -7.3605 -7.3506 -7.3506 -6.5403 -6.5403 -6.4911 -6.4911 -6.4870 -6.4870 -1.3497 -1.3497 5.2710 5.2710 6.7306 6.7306 6.8398 6.8398 8.8918 8.8918 10.1567 10.1567 11.6366 11.6366 11.8076 11.8076 k = 0.2083-0.1203 0.1701 ( 8880 PWs) bands (ev): -39.5007 -39.5007 -14.0589 -14.0589 -14.0580 -14.0580 -13.0326 -13.0326 -13.0218 -13.0218 -13.0201 -13.0201 -7.3607 -7.3607 -7.3501 -7.3501 -6.5401 -6.5401 -6.4909 -6.4909 -6.4869 -6.4869 -1.2992 -1.2992 5.1227 5.1227 6.6487 6.6487 6.7527 6.7527 8.8437 8.8437 10.1146 10.1146 11.7431 11.7431 11.9394 11.9394 k = 0.2188-0.1263 0.1786 ( 8884 PWs) bands (ev): -39.5007 -39.5007 -14.0589 -14.0589 -14.0580 -14.0580 -13.0325 -13.0325 -13.0217 -13.0217 -13.0200 -13.0200 -7.3609 -7.3609 -7.3495 -7.3495 -6.5398 -6.5398 -6.4907 -6.4907 -6.4868 -6.4868 -1.2463 -1.2463 4.9746 4.9746 6.5688 6.5688 6.6682 6.6682 8.7972 8.7972 10.0581 10.0581 11.8530 11.8530 12.0708 12.0708 k = 0.2292-0.1323 0.1871 ( 8888 PWs) bands (ev): -39.5007 -39.5007 -14.0588 -14.0588 -14.0579 -14.0579 -13.0325 -13.0325 -13.0217 -13.0217 -13.0199 -13.0199 -7.3611 -7.3611 -7.3490 -7.3490 -6.5396 -6.5396 -6.4904 -6.4904 -6.4867 -6.4867 -1.1908 -1.1908 4.8267 4.8267 6.4912 6.4912 6.5863 6.5863 8.7524 8.7524 9.9914 9.9914 11.9672 11.9672 12.2017 12.2017 k = 0.2396-0.1383 0.1956 ( 8868 PWs) bands (ev): -39.5007 -39.5007 -14.0588 -14.0588 -14.0578 -14.0578 -13.0324 -13.0324 -13.0216 -13.0216 -13.0198 -13.0198 -7.3613 -7.3613 -7.3485 -7.3485 -6.5395 -6.5395 -6.4901 -6.4901 -6.4865 -6.4865 -1.1330 -1.1330 4.6791 4.6791 6.4160 6.4160 6.5071 6.5071 8.7095 8.7095 9.9181 9.9181 12.0849 12.0849 12.3321 12.3321 k = 0.2500-0.1443 0.2041 ( 8868 PWs) bands (ev): -39.5007 -39.5007 -14.0587 -14.0587 -14.0578 -14.0578 -13.0324 -13.0324 -13.0216 -13.0216 -13.0196 -13.0196 -7.3614 -7.3614 -7.3480 -7.3480 -6.5393 -6.5393 -6.4898 -6.4898 -6.4864 -6.4864 -1.0727 -1.0727 4.5320 4.5320 6.3432 6.3432 6.4306 6.4306 8.6685 8.6685 9.8408 9.8408 12.2053 12.2053 12.4616 12.4616 k = 0.2604-0.1504 0.2126 ( 8868 PWs) bands (ev): -39.5007 -39.5007 -14.0587 -14.0587 -14.0577 -14.0577 -13.0323 -13.0323 -13.0215 -13.0215 -13.0195 -13.0195 -7.3616 -7.3616 -7.3475 -7.3475 -6.5391 -6.5391 -6.4895 -6.4895 -6.4863 -6.4863 -1.0100 -1.0100 4.3853 4.3853 6.2729 6.2729 6.3568 6.3568 8.6295 8.6295 9.7614 9.7614 12.3274 12.3274 12.5903 12.5903 k = 0.2708-0.1564 0.2211 ( 8868 PWs) bands (ev): -39.5007 -39.5007 -14.0586 -14.0586 -14.0576 -14.0576 -13.0323 -13.0323 -13.0215 -13.0215 -13.0194 -13.0194 -7.3618 -7.3618 -7.3470 -7.3470 -6.5390 -6.5390 -6.4892 -6.4892 -6.4861 -6.4861 -0.9450 -0.9450 4.2393 4.2393 6.2052 6.2052 6.2859 6.2859 8.5927 8.5927 9.6814 9.6814 12.4502 12.4502 12.7181 12.7181 k = 0.2812-0.1624 0.2296 ( 8876 PWs) bands (ev): -39.5007 -39.5007 -14.0586 -14.0586 -14.0576 -14.0576 -13.0323 -13.0323 -13.0214 -13.0214 -13.0193 -13.0193 -7.3620 -7.3620 -7.3465 -7.3465 -6.5389 -6.5389 -6.4889 -6.4889 -6.4859 -6.4859 -0.8777 -0.8777 4.0940 4.0940 6.1402 6.1402 6.2179 6.2179 8.5581 8.5581 9.6018 9.6018 12.5734 12.5734 12.8450 12.8450 k = 0.2917-0.1684 0.2381 ( 8884 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0575 -14.0575 -13.0322 -13.0322 -13.0214 -13.0214 -13.0192 -13.0192 -7.3622 -7.3622 -7.3460 -7.3460 -6.5388 -6.5388 -6.4885 -6.4885 -6.4857 -6.4857 -0.8081 -0.8081 3.9495 3.9495 6.0779 6.0779 6.1528 6.1528 8.5257 8.5257 9.5234 9.5234 12.6965 12.6965 12.9711 12.9711 k = 0.3021-0.1744 0.2467 ( 8884 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0575 -14.0575 -13.0322 -13.0322 -13.0213 -13.0213 -13.0191 -13.0191 -7.3623 -7.3623 -7.3455 -7.3455 -6.5387 -6.5387 -6.4882 -6.4882 -6.4855 -6.4855 -0.7362 -0.7362 3.8060 3.8060 6.0183 6.0183 6.0906 6.0906 8.4955 8.4955 9.4466 9.4466 12.8194 12.8194 13.0965 13.0965 k = 0.3125-0.1804 0.2552 ( 8880 PWs) bands (ev): -39.5007 -39.5007 -14.0584 -14.0584 -14.0574 -14.0574 -13.0321 -13.0321 -13.0213 -13.0213 -13.0190 -13.0190 -7.3625 -7.3625 -7.3450 -7.3450 -6.5386 -6.5386 -6.4880 -6.4880 -6.4853 -6.4853 -0.6622 -0.6622 3.6636 3.6636 5.9616 5.9616 6.0314 6.0314 8.4677 8.4677 9.3721 9.3721 12.9418 12.9418 13.2212 13.2212 k = 0.3229-0.1864 0.2637 ( 8880 PWs) bands (ev): -39.5007 -39.5007 -14.0584 -14.0584 -14.0574 -14.0574 -13.0321 -13.0321 -13.0213 -13.0213 -13.0189 -13.0189 -7.3627 -7.3627 -7.3446 -7.3446 -6.5386 -6.5386 -6.4877 -6.4877 -6.4850 -6.4850 -0.5861 -0.5861 3.5223 3.5223 5.9077 5.9077 5.9752 5.9752 8.4421 8.4421 9.2999 9.2999 13.0638 13.0638 13.3452 13.3452 k = 0.3333-0.1925 0.2722 ( 8888 PWs) bands (ev): -39.5007 -39.5007 -14.0583 -14.0583 -14.0574 -14.0574 -13.0320 -13.0320 -13.0212 -13.0212 -13.0188 -13.0188 -7.3628 -7.3628 -7.3441 -7.3441 -6.5385 -6.5385 -6.4875 -6.4875 -6.4846 -6.4846 -0.5080 -0.5080 3.3824 3.3824 5.8567 5.8567 5.9221 5.9221 8.4189 8.4189 9.2305 9.2305 13.1853 13.1853 13.4686 13.4686 k = 0.3438-0.1985 0.2807 ( 8872 PWs) bands (ev): -39.5007 -39.5007 -14.0583 -14.0583 -14.0573 -14.0573 -13.0320 -13.0320 -13.0212 -13.0212 -13.0186 -13.0186 -7.3630 -7.3630 -7.3437 -7.3437 -6.5385 -6.5385 -6.4873 -6.4873 -6.4843 -6.4843 -0.4280 -0.4280 3.2439 3.2439 5.8086 5.8086 5.8721 5.8721 8.3980 8.3980 9.1639 9.1639 13.3061 13.3061 13.5912 13.5912 k = 0.3542-0.2045 0.2892 ( 8880 PWs) bands (ev): -39.5007 -39.5007 -14.0582 -14.0582 -14.0573 -14.0573 -13.0320 -13.0320 -13.0211 -13.0211 -13.0185 -13.0185 -7.3631 -7.3631 -7.3433 -7.3433 -6.5385 -6.5385 -6.4871 -6.4871 -6.4839 -6.4839 -0.3461 -0.3461 3.1072 3.1072 5.7635 5.7635 5.8252 5.8252 8.3795 8.3795 9.1004 9.1004 13.4262 13.4262 13.7129 13.7129 k = 0.3646-0.2105 0.2977 ( 8892 PWs) bands (ev): -39.5007 -39.5007 -14.0582 -14.0582 -14.0573 -14.0573 -13.0319 -13.0319 -13.0211 -13.0211 -13.0185 -13.0185 -7.3632 -7.3632 -7.3429 -7.3429 -6.5385 -6.5385 -6.4870 -6.4870 -6.4835 -6.4835 -0.2626 -0.2626 2.9723 2.9723 5.7214 5.7214 5.7813 5.7813 8.3632 8.3632 9.0400 9.0400 13.5454 13.5454 13.8337 13.8337 k = 0.3750-0.2165 0.3062 ( 8888 PWs) bands (ev): -39.5007 -39.5007 -14.0581 -14.0581 -14.0572 -14.0572 -13.0319 -13.0319 -13.0211 -13.0211 -13.0184 -13.0184 -7.3634 -7.3634 -7.3426 -7.3426 -6.5385 -6.5385 -6.4869 -6.4869 -6.4831 -6.4831 -0.1776 -0.1776 2.8396 2.8396 5.6823 5.6823 5.7407 5.7407 8.3492 8.3492 8.9828 8.9828 13.6633 13.6633 13.9532 13.9532 k = 0.3854-0.2225 0.3147 ( 8880 PWs) bands (ev): -39.5007 -39.5007 -14.0581 -14.0581 -14.0572 -14.0572 -13.0319 -13.0319 -13.0210 -13.0210 -13.0183 -13.0183 -7.3635 -7.3635 -7.3422 -7.3422 -6.5385 -6.5385 -6.4868 -6.4868 -6.4827 -6.4827 -0.0914 -0.0914 2.7092 2.7092 5.6463 5.6463 5.7032 5.7032 8.3374 8.3374 8.9290 8.9290 13.7798 13.7798 14.0712 14.0712 k = 0.3958-0.2285 0.3232 ( 8888 PWs) bands (ev): -39.5007 -39.5007 -14.0580 -14.0580 -14.0572 -14.0572 -13.0318 -13.0318 -13.0210 -13.0210 -13.0182 -13.0182 -7.3636 -7.3636 -7.3419 -7.3419 -6.5385 -6.5385 -6.4867 -6.4867 -6.4824 -6.4824 -0.0043 -0.0043 2.5816 2.5816 5.6133 5.6133 5.6689 5.6689 8.3278 8.3278 8.8787 8.8787 13.8943 13.8943 14.1871 14.1871 k = 0.4062-0.2345 0.3317 ( 8880 PWs) bands (ev): -39.5007 -39.5007 -14.0580 -14.0580 -14.0571 -14.0571 -13.0318 -13.0318 -13.0210 -13.0210 -13.0181 -13.0181 -7.3637 -7.3637 -7.3416 -7.3416 -6.5385 -6.5385 -6.4866 -6.4866 -6.4820 -6.4820 0.0834 0.0834 2.4572 2.4572 5.5834 5.5834 5.6378 5.6378 8.3203 8.3203 8.8320 8.8320 14.0061 14.0061 14.3003 14.3003 k = 0.4167-0.2406 0.3402 ( 8876 PWs) bands (ev): -39.5007 -39.5007 -14.0580 -14.0580 -14.0571 -14.0571 -13.0318 -13.0318 -13.0209 -13.0209 -13.0181 -13.0181 -7.3638 -7.3638 -7.3414 -7.3414 -6.5385 -6.5385 -6.4866 -6.4866 -6.4817 -6.4817 0.1710 0.1710 2.3366 2.3366 5.5566 5.5566 5.6100 5.6100 8.3147 8.3147 8.7889 8.7889 14.1144 14.1144 14.4100 14.4100 k = 0.4271-0.2466 0.3487 ( 8876 PWs) bands (ev): -39.5007 -39.5007 -14.0579 -14.0579 -14.0571 -14.0571 -13.0317 -13.0317 -13.0209 -13.0209 -13.0180 -13.0180 -7.3639 -7.3639 -7.3411 -7.3411 -6.5385 -6.5385 -6.4865 -6.4865 -6.4814 -6.4814 0.2579 0.2579 2.2205 2.2205 5.5329 5.5329 5.5854 5.5854 8.3109 8.3109 8.7498 8.7498 14.2182 14.2182 14.5149 14.5149 k = 0.4375-0.2526 0.3572 ( 8884 PWs) bands (ev): -39.5007 -39.5007 -14.0579 -14.0579 -14.0571 -14.0571 -13.0317 -13.0317 -13.0209 -13.0209 -13.0179 -13.0179 -7.3640 -7.3640 -7.3409 -7.3409 -6.5385 -6.5385 -6.4865 -6.4865 -6.4811 -6.4811 0.3428 0.3428 2.1102 2.1102 5.5123 5.5123 5.5640 5.5640 8.3088 8.3088 8.7148 8.7148 14.3158 14.3158 14.6137 14.6137 k = 0.4479-0.2586 0.3657 ( 8876 PWs) bands (ev): -39.5007 -39.5007 -14.0579 -14.0579 -14.0571 -14.0571 -13.0317 -13.0317 -13.0209 -13.0209 -13.0179 -13.0179 -7.3640 -7.3640 -7.3408 -7.3408 -6.5386 -6.5386 -6.4865 -6.4865 -6.4809 -6.4809 0.4243 0.4243 2.0073 2.0073 5.4949 5.4949 5.5460 5.5460 8.3080 8.3080 8.6841 8.6841 14.4056 14.4056 14.7044 14.7044 k = 0.4583-0.2646 0.3742 ( 8888 PWs) bands (ev): -39.5007 -39.5007 -14.0578 -14.0578 -14.0571 -14.0571 -13.0317 -13.0317 -13.0209 -13.0209 -13.0179 -13.0179 -7.3641 -7.3641 -7.3406 -7.3406 -6.5386 -6.5386 -6.4864 -6.4864 -6.4807 -6.4807 0.5001 0.5001 1.9139 1.9139 5.4806 5.4806 5.5311 5.5311 8.3082 8.3082 8.6582 8.6582 14.4851 14.4851 14.7846 14.7846 k = 0.4688-0.2706 0.3827 ( 8876 PWs) bands (ev): -39.5007 -39.5007 -14.0578 -14.0578 -14.0571 -14.0571 -13.0317 -13.0317 -13.0209 -13.0209 -13.0178 -13.0178 -7.3641 -7.3641 -7.3405 -7.3405 -6.5386 -6.5386 -6.4864 -6.4864 -6.4805 -6.4805 0.5669 0.5669 1.8334 1.8334 5.4695 5.4695 5.5196 5.5196 8.3090 8.3090 8.6373 8.6373 14.5517 14.5517 14.8516 14.8516 k = 0.4792-0.2766 0.3912 ( 8896 PWs) bands (ev): -39.5007 -39.5007 -14.0578 -14.0578 -14.0571 -14.0571 -13.0317 -13.0317 -13.0209 -13.0209 -13.0178 -13.0178 -7.3641 -7.3641 -7.3404 -7.3404 -6.5386 -6.5386 -6.4864 -6.4864 -6.4804 -6.4804 0.6204 0.6204 1.7700 1.7700 5.4616 5.4616 5.5114 5.5114 8.3100 8.3100 8.6220 8.6220 14.6022 14.6022 14.9025 14.9025 k = 0.4896-0.2827 0.3997 ( 8904 PWs) bands (ev): -39.5007 -39.5007 -14.0578 -14.0578 -14.0571 -14.0571 -13.0317 -13.0317 -13.0209 -13.0209 -13.0178 -13.0178 -7.3642 -7.3642 -7.3404 -7.3404 -6.5386 -6.5386 -6.4864 -6.4864 -6.4803 -6.4803 0.6557 0.6557 1.7289 1.7289 5.4569 5.4569 5.5064 5.5064 8.3108 8.3108 8.6126 8.6126 14.6340 14.6340 14.9344 14.9344 k = 0.5000-0.2887 0.4082 ( 8904 PWs) bands (ev): -39.5007 -39.5007 -14.0578 -14.0578 -14.0571 -14.0571 -13.0317 -13.0317 -13.0209 -13.0209 -13.0178 -13.0178 -7.3642 -7.3642 -7.3404 -7.3404 -6.5386 -6.5386 -6.4864 -6.4864 -6.4803 -6.4803 0.6680 0.6680 1.7145 1.7145 5.4553 5.4553 5.5048 5.5048 8.3111 8.3111 8.6095 8.6095 14.6448 14.6448 14.9453 14.9453 k = 0.5000-0.2887 0.4082 ( 8904 PWs) bands (ev): -39.5007 -39.5007 -14.0578 -14.0578 -14.0571 -14.0571 -13.0317 -13.0317 -13.0209 -13.0209 -13.0178 -13.0178 -7.3642 -7.3642 -7.3404 -7.3404 -6.5386 -6.5386 -6.4864 -6.4864 -6.4803 -6.4803 0.6680 0.6680 1.7145 1.7145 5.4553 5.4553 5.5048 5.5048 8.3111 8.3111 8.6095 8.6095 14.6448 14.6448 14.9453 14.9453 k = 0.5000-0.2766 0.4168 ( 8904 PWs) bands (ev): -39.5007 -39.5007 -14.0578 -14.0578 -14.0571 -14.0570 -13.0317 -13.0316 -13.0209 -13.0208 -13.0179 -13.0178 -7.3648 -7.3636 -7.3407 -7.3400 -6.5399 -6.5373 -6.4868 -6.4860 -6.4809 -6.4798 0.6672 0.6691 1.7131 1.7168 5.4457 5.4589 5.4965 5.5070 8.3127 8.3211 8.6115 8.6221 14.6288 14.6409 14.9267 14.9415 k = 0.5000-0.2646 0.4253 ( 8892 PWs) bands (ev): -39.5007 -39.5007 -14.0578 -14.0578 -14.0572 -14.0569 -13.0318 -13.0316 -13.0210 -13.0207 -13.0179 -13.0177 -7.3654 -7.3630 -7.3410 -7.3396 -6.5411 -6.5360 -6.4872 -6.4856 -6.4815 -6.4793 0.6668 0.6705 1.7125 1.7200 5.4302 5.4567 5.4826 5.5033 8.3259 8.3424 8.6280 8.6491 14.5905 14.6139 14.8900 14.9199 k = 0.5000-0.2526 0.4338 ( 8880 PWs) bands (ev): -39.5007 -39.5007 -14.0578 -14.0578 -14.0572 -14.0569 -13.0318 -13.0315 -13.0211 -13.0206 -13.0180 -13.0177 -7.3660 -7.3624 -7.3413 -7.3392 -6.5423 -6.5347 -6.4875 -6.4852 -6.4822 -6.4788 0.6666 0.6722 1.7127 1.7240 5.4090 5.4486 5.4637 5.4938 8.3505 8.3749 8.6589 8.6900 14.5243 14.5570 14.8444 14.8915 k = 0.5000-0.2406 0.4423 ( 8880 PWs) bands (ev): -39.5007 -39.5007 -14.0579 -14.0578 -14.0572 -14.0568 -13.0319 -13.0314 -13.0212 -13.0205 -13.0181 -13.0176 -7.3667 -7.3619 -7.3416 -7.3388 -6.5434 -6.5334 -6.4879 -6.4848 -6.4829 -6.4784 0.6668 0.6742 1.7137 1.7287 5.3822 5.4346 5.4406 5.4796 8.3862 8.4181 8.7036 8.7442 14.4269 14.4665 14.7973 14.8653 k = 0.5000-0.2285 0.4508 ( 8876 PWs) bands (ev): -39.5007 -39.5006 -14.0579 -14.0578 -14.0573 -14.0567 -13.0319 -13.0314 -13.0212 -13.0204 -13.0181 -13.0176 -7.3673 -7.3614 -7.3418 -7.3384 -6.5446 -6.5321 -6.4883 -6.4844 -6.4836 -6.4780 0.6672 0.6765 1.7155 1.7342 5.3503 5.4143 5.4149 5.4614 8.4326 8.4715 8.7615 8.8109 14.3019 14.3458 14.7479 14.8420 k = 0.5000-0.2165 0.4593 ( 8872 PWs) bands (ev): -39.5006 -39.5006 -14.0579 -14.0578 -14.0573 -14.0567 -13.0320 -13.0313 -13.0213 -13.0203 -13.0182 -13.0176 -7.3679 -7.3610 -7.3420 -7.3379 -6.5457 -6.5307 -6.4886 -6.4844 -6.4840 -6.4776 0.6679 0.6790 1.7180 1.7405 5.3140 5.3856 5.3899 5.4402 8.4890 8.5344 8.8318 8.8893 14.1558 14.2025 14.6899 14.8154 k = 0.5000-0.2045 0.4678 ( 8866 PWs) bands (ev): -39.5006 -39.5006 -14.0580 -14.0578 -14.0573 -14.0566 -13.0320 -13.0312 -13.0214 -13.0202 -13.0183 -13.0176 -7.3686 -7.3606 -7.3421 -7.3375 -6.5467 -6.5293 -6.4889 -6.4853 -6.4836 -6.4773 0.6689 0.6817 1.7212 1.7473 5.2740 5.3551 5.3601 5.4169 8.5551 8.6063 8.9135 8.9786 13.9951 14.0433 14.6154 14.7748 k = 0.5000-0.1925 0.4763 ( 8870 PWs) bands (ev): -39.5006 -39.5006 -14.0580 -14.0578 -14.0573 -14.0565 -13.0321 -13.0312 -13.0214 -13.0201 -13.0184 -13.0176 -7.3692 -7.3602 -7.3422 -7.3371 -6.5477 -6.5280 -6.4893 -6.4861 -6.4832 -6.4770 0.6700 0.6846 1.7250 1.7547 5.2314 5.3233 5.3266 5.3921 8.6300 8.6866 9.0058 9.0777 13.8243 13.8735 14.5180 14.7046 k = 0.5000-0.1804 0.4848 ( 8850 PWs) bands (ev): -39.5006 -39.5006 -14.0581 -14.0578 -14.0574 -14.0565 -13.0321 -13.0311 -13.0215 -13.0200 -13.0185 -13.0175 -7.3697 -7.3600 -7.3422 -7.3367 -6.5487 -6.5266 -6.4896 -6.4870 -6.4828 -6.4767 0.6714 0.6876 1.7293 1.7626 5.1869 5.2903 5.2910 5.3661 8.7131 8.7745 9.1079 9.1861 13.6470 13.6964 14.3952 14.5922 k = 0.5000-0.1684 0.4933 ( 8848 PWs) bands (ev): -39.5006 -39.5006 -14.0581 -14.0578 -14.0574 -14.0564 -13.0322 -13.0310 -13.0215 -13.0199 -13.0185 -13.0176 -7.3703 -7.3597 -7.3422 -7.3363 -6.5496 -6.5252 -6.4898 -6.4880 -6.4824 -6.4765 0.6729 0.6907 1.7340 1.7708 5.1415 5.2523 5.2584 5.3394 8.8037 8.8696 9.2188 9.3027 13.4656 13.5149 14.2490 14.4400 k = 0.5000-0.1564 0.5018 ( 8856 PWs) bands (ev): -39.5006 -39.5006 -14.0581 -14.0578 -14.0574 -14.0564 -13.0322 -13.0310 -13.0216 -13.0198 -13.0186 -13.0176 -7.3708 -7.3595 -7.3421 -7.3359 -6.5505 -6.5238 -6.4901 -6.4889 -6.4821 -6.4762 0.6746 0.6939 1.7391 1.7793 5.0960 5.2135 5.2262 5.3125 8.9013 8.9711 9.3377 9.4271 13.2818 13.3307 14.0845 14.2616 k = 0.5000-0.1443 0.5103 ( 8856 PWs) bands (ev): -39.5006 -39.5006 -14.0582 -14.0578 -14.0574 -14.0563 -13.0322 -13.0309 -13.0216 -13.0197 -13.0187 -13.0176 -7.3713 -7.3593 -7.3421 -7.3356 -6.5514 -6.5224 -6.4904 -6.4899 -6.4817 -6.4761 0.6763 0.6971 1.7444 1.7880 5.0512 5.1747 5.1946 5.2859 9.0051 9.0786 9.4639 9.5585 13.0973 13.1454 13.9069 14.0686 k = 0.5000-0.1323 0.5188 ( 8840 PWs) bands (ev): -39.5006 -39.5006 -14.0582 -14.0578 -14.0574 -14.0562 -13.0323 -13.0308 -13.0216 -13.0196 -13.0188 -13.0176 -7.3718 -7.3592 -7.3420 -7.3352 -6.5521 -6.5210 -6.4910 -6.4906 -6.4814 -6.4759 0.6781 0.7002 1.7499 1.7966 5.0076 5.1365 5.1643 5.2598 9.1145 9.1914 9.5966 9.6962 12.9130 12.9601 13.7207 13.8679 k = 0.5000-0.1203 0.5273 ( 8846 PWs) bands (ev): -39.5006 -39.5006 -14.0583 -14.0578 -14.0574 -14.0562 -13.0323 -13.0308 -13.0217 -13.0195 -13.0189 -13.0177 -7.3722 -7.3591 -7.3418 -7.3349 -6.5528 -6.5196 -6.4920 -6.4908 -6.4811 -6.4758 0.6799 0.7033 1.7554 1.8051 4.9658 5.0997 5.1354 5.2348 9.2287 9.3089 9.7350 9.8398 12.7302 12.7758 13.5293 13.6635 k = 0.5000-0.1083 0.5358 ( 8848 PWs) bands (ev): -39.5006 -39.5006 -14.0583 -14.0578 -14.0574 -14.0562 -13.0323 -13.0307 -13.0217 -13.0193 -13.0189 -13.0177 -7.3726 -7.3591 -7.3417 -7.3346 -6.5535 -6.5182 -6.4931 -6.4910 -6.4808 -6.4757 0.6816 0.7063 1.7608 1.8134 4.9265 5.0648 5.1083 5.2111 9.3470 9.4305 9.8785 9.9887 12.5496 12.5935 13.3351 13.4578 k = 0.5000-0.0962 0.5443 ( 8848 PWs) bands (ev): -39.5006 -39.5006 -14.0584 -14.0578 -14.0574 -14.0561 -13.0323 -13.0307 -13.0217 -13.0192 -13.0190 -13.0177 -7.3730 -7.3590 -7.3415 -7.3343 -6.5541 -6.5168 -6.4942 -6.4912 -6.4805 -6.4756 0.6833 0.7090 1.7661 1.8213 4.8901 5.0323 5.0833 5.1892 9.4686 9.5554 10.0263 10.1422 12.3725 12.4140 13.1401 13.2522 k = 0.5000-0.0842 0.5528 ( 8850 PWs) bands (ev): -39.5006 -39.5006 -14.0584 -14.0578 -14.0574 -14.0561 -13.0324 -13.0306 -13.0217 -13.0191 -13.0191 -13.0178 -7.3733 -7.3590 -7.3414 -7.3341 -6.5546 -6.5154 -6.4954 -6.4914 -6.4802 -6.4755 0.6849 0.7116 1.7710 1.8287 4.8569 5.0026 5.0607 5.1692 9.5923 9.6826 10.1773 10.2997 12.2001 12.2385 12.9461 13.0482 k = 0.5000-0.0722 0.5613 ( 8848 PWs) bands (ev): -39.5006 -39.5006 -14.0584 -14.0578 -14.0574 -14.0560 -13.0324 -13.0306 -13.0218 -13.0191 -13.0190 -13.0178 -7.3736 -7.3590 -7.3413 -7.3339 -6.5551 -6.5140 -6.4965 -6.4915 -6.4800 -6.4754 0.6864 0.7139 1.7755 1.8354 4.8274 4.9762 5.0407 5.1513 9.7167 9.8108 10.3303 10.4605 12.0340 12.0683 12.7546 12.8467 k = 0.5000-0.0601 0.5698 ( 8844 PWs) bands (ev): -39.5006 -39.5006 -14.0584 -14.0578 -14.0574 -14.0560 -13.0324 -13.0306 -13.0218 -13.0192 -13.0189 -13.0179 -7.3738 -7.3590 -7.3411 -7.3337 -6.5555 -6.5127 -6.4977 -6.4916 -6.4798 -6.4754 0.6876 0.7160 1.7795 1.8413 4.8019 4.9533 5.0235 5.1359 9.8397 9.9382 10.4835 10.6234 11.8765 11.9053 12.5676 12.6492 k = 0.5000-0.0481 0.5784 ( 8848 PWs) bands (ev): -39.5006 -39.5006 -14.0585 -14.0578 -14.0574 -14.0560 -13.0324 -13.0305 -13.0218 -13.0192 -13.0189 -13.0180 -7.3740 -7.3590 -7.3410 -7.3335 -6.5558 -6.5115 -6.4988 -6.4917 -6.4797 -6.4754 0.6887 0.7177 1.7829 1.8463 4.7807 4.9342 5.0092 5.1231 9.9581 10.0619 10.6338 10.7866 11.7315 11.7525 12.3878 12.4576 k = 0.5000-0.0361 0.5869 ( 8852 PWs) bands (ev): -39.5006 -39.5006 -14.0585 -14.0578 -14.0574 -14.0560 -13.0324 -13.0305 -13.0218 -13.0193 -13.0188 -13.0180 -7.3742 -7.3590 -7.3409 -7.3334 -6.5561 -6.5103 -6.4999 -6.4918 -6.4795 -6.4754 0.6896 0.7190 1.7856 1.8503 4.7639 4.9191 4.9979 5.1130 10.0671 10.1770 10.7757 10.9466 11.6049 11.6148 12.2198 12.2754 k = 0.5000-0.0241 0.5954 ( 8840 PWs) bands (ev): -39.5006 -39.5006 -14.0585 -14.0578 -14.0574 -14.0560 -13.0324 -13.0305 -13.0218 -13.0193 -13.0187 -13.0181 -7.3743 -7.3591 -7.3409 -7.3333 -6.5563 -6.5093 -6.5008 -6.4919 -6.4794 -6.4753 0.6902 0.7200 1.7876 1.8532 4.7518 4.9082 4.9898 5.1057 10.1588 10.2754 10.8986 11.0958 11.5001 11.5061 12.0725 12.1104 k = 0.5000-0.0120 0.6039 ( 8840 PWs) bands (ev): -39.5006 -39.5006 -14.0585 -14.0578 -14.0574 -14.0560 -13.0324 -13.0305 -13.0218 -13.0193 -13.0187 -13.0181 -7.3744 -7.3591 -7.3408 -7.3333 -6.5564 -6.5085 -6.5015 -6.4919 -6.4794 -6.4753 0.6906 0.7206 1.7888 1.8550 4.7445 4.9016 4.9849 5.1013 10.2222 10.3447 10.9849 11.2155 11.4211 11.4467 11.9635 11.9812 k = 0.5000 0.0000 0.6124 ( 8792 PWs) bands (ev): -39.5006 -39.5006 -14.0585 -14.0578 -14.0574 -14.0559 -13.0324 -13.0305 -13.0218 -13.0193 -13.0186 -13.0181 -7.3744 -7.3591 -7.3408 -7.3333 -6.5564 -6.5082 -6.5018 -6.4919 -6.4794 -6.4753 0.6908 0.7208 1.7893 1.8556 4.7420 4.8994 4.9832 5.0998 10.2451 10.3702 11.0157 11.2659 11.3922 11.4289 11.9212 11.9278 k = 0.5000 0.0000 0.6124 ( 8792 PWs) bands (ev): -39.5006 -39.5006 -14.0585 -14.0578 -14.0574 -14.0559 -13.0324 -13.0305 -13.0218 -13.0193 -13.0186 -13.0181 -7.3744 -7.3591 -7.3408 -7.3333 -6.5564 -6.5082 -6.5018 -6.4919 -6.4794 -6.4753 0.6908 0.7208 1.7893 1.8556 4.7420 4.8994 4.9832 5.0998 10.2451 10.3702 11.0157 11.2659 11.3922 11.4289 11.9212 11.9278 k = 0.4926 0.0127 0.6124 ( 8840 PWs) bands (ev): -39.5006 -39.5006 -14.0585 -14.0578 -14.0574 -14.0560 -13.0324 -13.0305 -13.0218 -13.0193 -13.0186 -13.0181 -7.3744 -7.3591 -7.3408 -7.3333 -6.5564 -6.5084 -6.5016 -6.4919 -6.4794 -6.4753 0.6885 0.7183 1.7914 1.8575 4.7406 4.8875 4.9994 5.1056 10.2292 10.3513 11.0008 11.2359 11.4046 11.4506 11.9455 11.9600 k = 0.4853 0.0255 0.6124 ( 8840 PWs) bands (ev): -39.5006 -39.5006 -14.0585 -14.0578 -14.0574 -14.0560 -13.0324 -13.0305 -13.0218 -13.0193 -13.0187 -13.0181 -7.3743 -7.3591 -7.3409 -7.3333 -6.5563 -6.5088 -6.5013 -6.4919 -6.4794 -6.4753 0.6823 0.7115 1.7970 1.8624 4.7355 4.8626 5.0371 5.1236 10.1791 10.2910 10.9709 11.1754 11.4472 11.4983 12.0105 12.0381 k = 0.4779 0.0382 0.6124 ( 8841 PWs) bands (ev): -39.5006 -39.5006 -14.0585 -14.0579 -14.0574 -14.0560 -13.0324 -13.0305 -13.0218 -13.0193 -13.0187 -13.0180 -7.3742 -7.3591 -7.3410 -7.3333 -6.5561 -6.5095 -6.5008 -6.4919 -6.4794 -6.4754 0.6730 0.7014 1.8052 1.8695 4.7266 4.8349 5.0859 5.1536 10.0956 10.1917 10.9440 11.1163 11.5126 11.5603 12.1023 12.1429 k = 0.4706 0.0509 0.6124 ( 8845 PWs) bands (ev): -39.5006 -39.5006 -14.0585 -14.0579 -14.0574 -14.0560 -13.0324 -13.0305 -13.0218 -13.0193 -13.0188 -13.0180 -7.3741 -7.3590 -7.3412 -7.3334 -6.5559 -6.5103 -6.5002 -6.4919 -6.4794 -6.4754 0.6615 0.6889 1.8149 1.8779 4.7147 4.8074 5.1423 5.1946 9.9848 10.0635 10.9243 11.0676 11.5934 11.6352 12.2111 12.2633 k = 0.4632 0.0637 0.6124 ( 8849 PWs) bands (ev): -39.5006 -39.5006 -14.0585 -14.0579 -14.0574 -14.0560 -13.0324 -13.0306 -13.0218 -13.0193 -13.0188 -13.0180 -7.3739 -7.3590 -7.3414 -7.3334 -6.5557 -6.5111 -6.4996 -6.4919 -6.4794 -6.4754 0.6485 0.6749 1.8255 1.8870 4.7007 4.7812 5.2047 5.2449 9.8548 9.9179 10.9099 11.0293 11.6852 11.7224 12.3309 12.3934 k = 0.4559 0.0764 0.6124 ( 8847 PWs) bands (ev): -39.5006 -39.5006 -14.0585 -14.0579 -14.0574 -14.0560 -13.0324 -13.0306 -13.0218 -13.0194 -13.0189 -13.0179 -7.3738 -7.3590 -7.3416 -7.3334 -6.5554 -6.5120 -6.4990 -6.4919 -6.4794 -6.4754 0.6347 0.6600 1.8363 1.8963 4.6856 4.7565 5.2722 5.3029 9.7134 9.7640 10.8980 10.9989 11.7855 11.8201 12.4577 12.5298 k = 0.4485 0.0891 0.6124 ( 8849 PWs) bands (ev): -39.5006 -39.5006 -14.0584 -14.0579 -14.0573 -14.0560 -13.0324 -13.0306 -13.0218 -13.0194 -13.0189 -13.0179 -7.3736 -7.3590 -7.3419 -7.3334 -6.5551 -6.5129 -6.4984 -6.4920 -6.4794 -6.4754 0.6207 0.6449 1.8469 1.9053 4.6703 4.7337 5.3435 5.3668 9.5670 9.6076 10.8874 10.9741 11.8922 11.9265 12.5889 12.6703 k = 0.4412 0.1019 0.6124 ( 8854 PWs) bands (ev): -39.5006 -39.5006 -14.0584 -14.0579 -14.0573 -14.0561 -13.0324 -13.0306 -13.0218 -13.0194 -13.0190 -13.0178 -7.3733 -7.3590 -7.3422 -7.3334 -6.5547 -6.5138 -6.4978 -6.4920 -6.4794 -6.4755 0.6069 0.6300 1.8568 1.9138 4.6553 4.7128 5.4174 5.4349 9.4203 9.4532 10.8773 10.9535 12.0043 12.0394 12.7223 12.8130 k = 0.4338 0.1146 0.6124 ( 8860 PWs) bands (ev): -39.5006 -39.5006 -14.0584 -14.0580 -14.0573 -14.0561 -13.0323 -13.0307 -13.0217 -13.0194 -13.0190 -13.0178 -7.3731 -7.3590 -7.3425 -7.3334 -6.5544 -6.5147 -6.4973 -6.4920 -6.4794 -6.4755 0.5937 0.6159 1.8660 1.9215 4.6411 4.6940 5.4926 5.5054 9.2772 9.3040 10.8679 10.9361 12.1206 12.1572 12.8555 12.9561 k = 0.4265 0.1274 0.6124 ( 8856 PWs) bands (ev): -39.5006 -39.5006 -14.0584 -14.0580 -14.0573 -14.0561 -13.0323 -13.0307 -13.0217 -13.0195 -13.0190 -13.0177 -7.3729 -7.3590 -7.3428 -7.3334 -6.5540 -6.5156 -6.4968 -6.4920 -6.4794 -6.4755 0.5814 0.6028 1.8741 1.9283 4.6281 4.6773 5.5673 5.5764 9.1407 9.1626 10.8591 10.9212 12.2399 12.2782 12.9858 13.0970 k = 0.4191 0.1401 0.6124 ( 8856 PWs) bands (ev): -39.5006 -39.5006 -14.0584 -14.0580 -14.0573 -14.0561 -13.0323 -13.0307 -13.0217 -13.0195 -13.0191 -13.0177 -7.3727 -7.3590 -7.3431 -7.3334 -6.5536 -6.5163 -6.4964 -6.4920 -6.4794 -6.4755 0.5703 0.5910 1.8812 1.9343 4.6164 4.6627 5.6397 5.6458 9.0138 9.0318 10.8512 10.9087 12.3612 12.4010 13.1089 13.2319 k = 0.4118 0.1528 0.6124 ( 8848 PWs) bands (ev): -39.5006 -39.5006 -14.0583 -14.0580 -14.0573 -14.0561 -13.0323 -13.0308 -13.0217 -13.0195 -13.0191 -13.0177 -7.3725 -7.3590 -7.3434 -7.3334 -6.5533 -6.5170 -6.4960 -6.4921 -6.4794 -6.4756 0.5606 0.5807 1.8872 1.9393 4.6063 4.6503 5.7074 5.7112 8.8993 8.9141 10.8442 10.8982 12.4829 12.5239 13.2189 13.3532 k = 0.4044 0.1656 0.6124 ( 8852 PWs) bands (ev): -39.5006 -39.5006 -14.0583 -14.0581 -14.0573 -14.0561 -13.0323 -13.0308 -13.0217 -13.0195 -13.0191 -13.0176 -7.3723 -7.3589 -7.3436 -7.3334 -6.5530 -6.5176 -6.4957 -6.4921 -6.4794 -6.4756 0.5525 0.5721 1.8921 1.9433 4.5979 4.6402 5.7679 5.7704 8.8001 8.8123 10.8383 10.8898 12.6029 12.6444 13.3068 13.4472 k = 0.3971 0.1783 0.6124 ( 8848 PWs) bands (ev): -39.5006 -39.5006 -14.0583 -14.0581 -14.0573 -14.0562 -13.0323 -13.0308 -13.0217 -13.0195 -13.0191 -13.0176 -7.3722 -7.3589 -7.3439 -7.3334 -6.5527 -6.5181 -6.4955 -6.4921 -6.4794 -6.4756 0.5461 0.5653 1.8958 1.9464 4.5913 4.6322 5.8183 5.8207 8.7190 8.7291 10.8336 10.8832 12.7180 12.7587 13.3625 13.4940 k = 0.3897 0.1910 0.6124 ( 8851 PWs) bands (ev): -39.5006 -39.5006 -14.0583 -14.0581 -14.0573 -14.0562 -13.0323 -13.0308 -13.0217 -13.0196 -13.0192 -13.0176 -7.3720 -7.3589 -7.3440 -7.3334 -6.5525 -6.5185 -6.4953 -6.4921 -6.4794 -6.4756 0.5414 0.5603 1.8985 1.9487 4.5865 4.6266 5.8564 5.8593 8.6587 8.6672 10.8302 10.8786 12.8220 12.8593 13.3827 13.4856 k = 0.3824 0.2038 0.6124 ( 8858 PWs) bands (ev): -39.5006 -39.5006 -14.0582 -14.0582 -14.0573 -14.0562 -13.0322 -13.0308 -13.0217 -13.0196 -13.0192 -13.0176 -7.3720 -7.3589 -7.3441 -7.3334 -6.5524 -6.5187 -6.4952 -6.4921 -6.4793 -6.4756 0.5386 0.5573 1.9001 1.9500 4.5836 4.6232 5.8802 5.8836 8.6215 8.6290 10.8281 10.8758 12.9034 12.9316 13.3820 13.4457 k = 0.3750 0.2165 0.6124 ( 8868 PWs) bands (ev): -39.5006 -39.5006 -14.0582 -14.0582 -14.0573 -14.0562 -13.0322 -13.0308 -13.0217 -13.0196 -13.0192 -13.0176 -7.3720 -7.3589 -7.3441 -7.3334 -6.5524 -6.5188 -6.4952 -6.4921 -6.4793 -6.4756 0.5377 0.5563 1.9006 1.9504 4.5827 4.6220 5.8883 5.8919 8.6089 8.6161 10.8274 10.8749 12.9381 12.9569 13.3828 13.4190 k = 0.3750 0.2165 0.6124 ( 8868 PWs) bands (ev): -39.5006 -39.5006 -14.0582 -14.0582 -14.0573 -14.0562 -13.0322 -13.0308 -13.0217 -13.0196 -13.0192 -13.0176 -7.3720 -7.3589 -7.3441 -7.3334 -6.5524 -6.5188 -6.4952 -6.4921 -6.4793 -6.4756 0.5377 0.5563 1.9006 1.9504 4.5827 4.6220 5.8883 5.8919 8.6089 8.6161 10.8274 10.8749 12.9381 12.9569 13.3828 13.4190 k = 0.3675 0.2122 0.6001 ( 8856 PWs) bands (ev): -39.5006 -39.5006 -14.0583 -14.0582 -14.0573 -14.0562 -13.0322 -13.0308 -13.0217 -13.0196 -13.0192 -13.0176 -7.3720 -7.3589 -7.3443 -7.3332 -6.5526 -6.5179 -6.4962 -6.4924 -6.4790 -6.4756 0.5047 0.5225 1.9382 1.9885 4.5523 4.5929 5.9372 5.9405 8.6315 8.6376 11.0362 11.0875 12.8083 12.8235 13.2709 13.3055 k = 0.3600 0.2078 0.5879 ( 8856 PWs) bands (ev): -39.5006 -39.5006 -14.0583 -14.0582 -14.0573 -14.0562 -13.0323 -13.0308 -13.0217 -13.0197 -13.0192 -13.0176 -7.3720 -7.3590 -7.3444 -7.3331 -6.5527 -6.5172 -6.4973 -6.4927 -6.4787 -6.4756 0.4671 0.4839 1.9803 2.0307 4.5293 4.5710 5.9885 5.9916 8.6549 8.6599 11.2442 11.3008 12.6806 12.6917 13.1608 13.1944 k = 0.3525 0.2035 0.5756 ( 8836 PWs) bands (ev): -39.5006 -39.5006 -14.0583 -14.0582 -14.0573 -14.0561 -13.0322 -13.0308 -13.0217 -13.0198 -13.0191 -13.0177 -7.3720 -7.3590 -7.3446 -7.3331 -6.5527 -6.5165 -6.4983 -6.4929 -6.4785 -6.4756 0.4251 0.4406 2.0270 2.0772 4.5138 4.5564 6.0423 6.0452 8.6789 8.6829 11.4484 11.5126 12.5558 12.5618 13.0530 13.0863 k = 0.3450 0.1992 0.5634 ( 8840 PWs) bands (ev): -39.5006 -39.5006 -14.0584 -14.0582 -14.0572 -14.0562 -13.0322 -13.0308 -13.0217 -13.0199 -13.0191 -13.0177 -7.3718 -7.3591 -7.3448 -7.3331 -6.5526 -6.5159 -6.4993 -6.4932 -6.4783 -6.4756 0.3787 0.3929 2.0782 2.1280 4.5057 4.5492 6.0984 6.1011 8.7034 8.7065 11.6440 11.7199 12.4338 12.4356 12.9478 12.9820 k = 0.3375 0.1949 0.5511 ( 8868 PWs) bands (ev): -39.5007 -39.5006 -14.0584 -14.0583 -14.0573 -14.0562 -13.0323 -13.0308 -13.0217 -13.0200 -13.0191 -13.0177 -7.3717 -7.3592 -7.3449 -7.3332 -6.5525 -6.5155 -6.5003 -6.4934 -6.4781 -6.4756 0.3282 0.3410 2.1340 2.1832 4.5050 4.5492 6.1567 6.1593 8.7285 8.7306 11.8213 11.9177 12.3083 12.3245 12.8457 12.8828 k = 0.3300 0.1905 0.5389 ( 8868 PWs) bands (ev): -39.5007 -39.5006 -14.0585 -14.0583 -14.0573 -14.0562 -13.0323 -13.0309 -13.0217 -13.0201 -13.0191 -13.0178 -7.3715 -7.3593 -7.3451 -7.3334 -6.5524 -6.5151 -6.5012 -6.4936 -6.4780 -6.4756 0.2739 0.2854 2.1944 2.2427 4.5115 4.5564 6.2173 6.2197 8.7539 8.7551 11.9530 12.0964 12.1872 12.2410 12.7474 12.7908 k = 0.3225 0.1862 0.5266 ( 8856 PWs) bands (ev): -39.5006 -39.5006 -14.0585 -14.0583 -14.0573 -14.0562 -13.0322 -13.0309 -13.0217 -13.0202 -13.0191 -13.0178 -7.3712 -7.3594 -7.3452 -7.3336 -6.5521 -6.5149 -6.5019 -6.4938 -6.4779 -6.4757 0.2161 0.2263 2.2591 2.3065 4.5252 4.5705 6.2799 6.2822 8.7795 8.7798 11.9704 12.0613 12.2405 12.2532 12.6545 12.7096 k = 0.3150 0.1819 0.5144 ( 8856 PWs) bands (ev): -39.5006 -39.5006 -14.0585 -14.0583 -14.0573 -14.0563 -13.0322 -13.0309 -13.0217 -13.0203 -13.0191 -13.0178 -7.3709 -7.3595 -7.3454 -7.3339 -6.5519 -6.5148 -6.5026 -6.4940 -6.4779 -6.4757 0.1553 0.1642 2.3282 2.3746 4.5456 4.5914 6.3446 6.3467 8.8048 8.8053 11.8921 11.9434 12.2867 12.3577 12.5714 12.6455 k = 0.3075 0.1775 0.5021 ( 8854 PWs) bands (ev): -39.5006 -39.5006 -14.0586 -14.0583 -14.0573 -14.0563 -13.0322 -13.0309 -13.0216 -13.0204 -13.0191 -13.0179 -7.3705 -7.3596 -7.3455 -7.3343 -6.5515 -6.5149 -6.5031 -6.4942 -6.4779 -6.4758 0.0919 0.0996 2.4016 2.4470 4.5727 4.6188 6.4111 6.4131 8.8296 8.8311 11.7904 11.8275 12.2957 12.3888 12.5149 12.6009 k = 0.3000 0.1732 0.4899 ( 8868 PWs) bands (ev): -39.5007 -39.5007 -14.0586 -14.0583 -14.0573 -14.0564 -13.0322 -13.0310 -13.0216 -13.0205 -13.0192 -13.0179 -7.3701 -7.3598 -7.3457 -7.3348 -6.5512 -6.5152 -6.5034 -6.4944 -6.4780 -6.4759 0.0261 0.0327 2.4791 2.5234 4.6062 4.6525 6.4794 6.4813 8.8543 8.8566 11.6843 11.7142 12.2610 12.3422 12.4897 12.5636 k = 0.2925 0.1689 0.4777 ( 8862 PWs) bands (ev): -39.5007 -39.5007 -14.0587 -14.0583 -14.0573 -14.0564 -13.0322 -13.0310 -13.0216 -13.0206 -13.0192 -13.0180 -7.3696 -7.3599 -7.3459 -7.3353 -6.5508 -6.5157 -6.5036 -6.4945 -6.4781 -6.4759 -0.0415 -0.0359 2.5608 2.6039 4.6458 4.6922 6.5494 6.5511 8.8786 8.8818 11.5783 11.6036 12.2030 12.2707 12.4544 12.5183 k = 0.2850 0.1645 0.4654 ( 8870 PWs) bands (ev): -39.5007 -39.5007 -14.0587 -14.0583 -14.0573 -14.0565 -13.0323 -13.0311 -13.0216 -13.0207 -13.0192 -13.0180 -7.3692 -7.3600 -7.3461 -7.3359 -6.5504 -6.5164 -6.5036 -6.4946 -6.4783 -6.4761 -0.1105 -0.1058 2.6464 2.6885 4.6912 4.7377 6.6208 6.6224 8.9024 8.9065 11.4737 11.4959 12.1362 12.1966 12.3999 12.4608 k = 0.2775 0.1602 0.4532 ( 8870 PWs) bands (ev): -39.5007 -39.5007 -14.0588 -14.0583 -14.0573 -14.0565 -13.0323 -13.0312 -13.0216 -13.0208 -13.0193 -13.0181 -7.3686 -7.3602 -7.3462 -7.3365 -6.5499 -6.5171 -6.5036 -6.4947 -6.4786 -6.4762 -0.1807 -0.1768 2.7360 2.7769 4.7423 4.7887 6.6936 6.6951 8.9253 8.9303 11.3713 11.3910 12.0672 12.1245 12.3319 12.3936 k = 0.2700 0.1559 0.4409 ( 8864 PWs) bands (ev): -39.5007 -39.5007 -14.0588 -14.0583 -14.0573 -14.0566 -13.0323 -13.0312 -13.0216 -13.0209 -13.0194 -13.0181 -7.3681 -7.3603 -7.3464 -7.3372 -6.5494 -6.5180 -6.5034 -6.4948 -6.4788 -6.4763 -0.2517 -0.2485 2.8295 2.8693 4.7986 4.8450 6.7675 6.7689 8.9472 8.9532 11.2715 11.2892 11.9990 12.0556 12.2558 12.3204 k = 0.2625 0.1516 0.4287 ( 8866 PWs) bands (ev): -39.5007 -39.5007 -14.0589 -14.0583 -14.0574 -14.0567 -13.0323 -13.0313 -13.0216 -13.0210 -13.0194 -13.0182 -7.3675 -7.3604 -7.3466 -7.3379 -6.5490 -6.5190 -6.5031 -6.4949 -6.4792 -6.4765 -0.3230 -0.3205 2.9267 2.9654 4.8602 4.9064 6.8425 6.8438 8.9680 8.9749 11.1743 11.1903 11.9326 11.9901 12.1758 12.2441 k = 0.2550 0.1472 0.4164 ( 8872 PWs) bands (ev): -39.5007 -39.5007 -14.0589 -14.0583 -14.0574 -14.0568 -13.0323 -13.0314 -13.0216 -13.0210 -13.0195 -13.0182 -7.3669 -7.3605 -7.3468 -7.3387 -6.5485 -6.5200 -6.5028 -6.4949 -6.4795 -6.4766 -0.3945 -0.3925 3.0277 3.0653 4.9265 4.9727 6.9183 6.9195 8.9872 8.9952 11.0800 11.0946 11.8686 11.9275 12.0951 12.1672 k = 0.2475 0.1429 0.4042 ( 8864 PWs) bands (ev): -39.5007 -39.5007 -14.0589 -14.0583 -14.0574 -14.0568 -13.0323 -13.0314 -13.0215 -13.0211 -13.0196 -13.0183 -7.3663 -7.3606 -7.3470 -7.3395 -6.5480 -6.5211 -6.5024 -6.4949 -6.4800 -6.4768 -0.4659 -0.4644 3.1323 3.1689 4.9976 5.0436 6.9947 6.9958 9.0048 9.0139 10.9886 11.0020 11.8067 11.8666 12.0165 12.0916 k = 0.2400 0.1386 0.3919 ( 8856 PWs) bands (ev): -39.5007 -39.5007 -14.0590 -14.0583 -14.0574 -14.0569 -13.0323 -13.0315 -13.0215 -13.0212 -13.0197 -13.0184 -7.3657 -7.3607 -7.3472 -7.3404 -6.5475 -6.5222 -6.5021 -6.4949 -6.4804 -6.4770 -0.5368 -0.5357 3.2406 3.2761 5.0731 5.1189 7.0714 7.0724 9.0204 9.0307 10.9004 10.9126 11.7464 11.8049 11.9439 12.0193 k = 0.2325 0.1342 0.3797 ( 8858 PWs) bands (ev): -39.5007 -39.5007 -14.0590 -14.0583 -14.0575 -14.0570 -13.0323 -13.0316 -13.0215 -13.0213 -13.0198 -13.0184 -7.3651 -7.3608 -7.3474 -7.3412 -6.5470 -6.5233 -6.5017 -6.4949 -6.4809 -6.4772 -0.6071 -0.6064 3.3523 3.3869 5.1529 5.1985 7.1482 7.1492 9.0340 9.0455 10.8153 10.8265 11.6864 11.7393 11.8811 11.9521 k = 0.2250 0.1299 0.3674 ( 8866 PWs) bands (ev): -39.5007 -39.5007 -14.0591 -14.0583 -14.0575 -14.0571 -13.0323 -13.0317 -13.0215 -13.0213 -13.0199 -13.0185 -7.3645 -7.3609 -7.3477 -7.3421 -6.5466 -6.5244 -6.5012 -6.4949 -6.4814 -6.4775 -0.6766 -0.6761 3.4676 3.5012 5.2368 5.2822 7.2250 7.2258 9.0453 9.0581 10.7334 10.7438 11.6256 11.6678 11.8304 11.8919 k = 0.2175 0.1256 0.3552 ( 8870 PWs) bands (ev): -39.5007 -39.5007 -14.0591 -14.0583 -14.0576 -14.0572 -13.0324 -13.0317 -13.0215 -13.0214 -13.0200 -13.0186 -7.3639 -7.3610 -7.3479 -7.3430 -6.5461 -6.5255 -6.5008 -6.4948 -6.4820 -6.4777 -0.7450 -0.7447 3.5863 3.6190 5.3245 5.3697 7.3012 7.3020 9.0542 9.0683 10.6548 10.6644 11.5628 11.5916 11.7912 11.8403 k = 0.2100 0.1212 0.3429 ( 8862 PWs) bands (ev): -39.5007 -39.5007 -14.0591 -14.0583 -14.0576 -14.0573 -13.0324 -13.0318 -13.0215 -13.0214 -13.0202 -13.0187 -7.3633 -7.3610 -7.3482 -7.3440 -6.5457 -6.5266 -6.5003 -6.4947 -6.4825 -6.4780 -0.8122 -0.8121 3.7084 3.7401 5.4160 5.4610 7.3768 7.3775 9.0606 9.0761 10.5795 10.5884 11.4974 11.5128 11.7615 11.7978 k = 0.2025 0.1169 0.3307 ( 8857 PWs) bands (ev): -39.5007 -39.5007 -14.0592 -14.0583 -14.0576 -14.0574 -13.0324 -13.0319 -13.0215 -13.0215 -13.0203 -13.0187 -7.3627 -7.3611 -7.3484 -7.3449 -6.5453 -6.5277 -6.4999 -6.4946 -6.4831 -6.4783 -0.8780 -0.8780 3.8339 3.8647 5.5110 5.5558 7.4513 7.4519 9.0645 9.0814 10.5076 10.5159 11.4296 11.4331 11.7395 11.7643 k = 0.1950 0.1126 0.3184 ( 8877 PWs) bands (ev): -39.5007 -39.5007 -14.0592 -14.0583 -14.0577 -14.0575 -13.0325 -13.0320 -13.0216 -13.0215 -13.0204 -13.0188 -7.3621 -7.3611 -7.3487 -7.3458 -6.5449 -6.5288 -6.4994 -6.4944 -6.4837 -6.4787 -0.9424 -0.9422 3.9626 3.9925 5.6094 5.6540 7.5244 7.5250 9.0657 9.0842 10.4392 10.4470 11.3535 11.3600 11.7240 11.7389 k = 0.1875 0.1083 0.3062 ( 8873 PWs) bands (ev): -39.5007 -39.5007 -14.0592 -14.0583 -14.0577 -14.0576 -13.0325 -13.0320 -13.0216 -13.0215 -13.0205 -13.0189 -7.3616 -7.3611 -7.3489 -7.3467 -6.5446 -6.5299 -6.4989 -6.4943 -6.4843 -6.4790 -1.0051 -1.0048 4.0946 4.1236 5.7110 5.7555 7.5957 7.5963 9.0645 9.0845 10.3743 10.3815 11.2745 11.2892 11.7139 11.7205 k = 0.1800 0.1039 0.2939 ( 8879 PWs) bands (ev): -39.5007 -39.5007 -14.0593 -14.0583 -14.0578 -14.0577 -13.0325 -13.0321 -13.0217 -13.0215 -13.0207 -13.0190 -7.3611 -7.3610 -7.3492 -7.3476 -6.5443 -6.5310 -6.4984 -6.4941 -6.4848 -6.4794 -1.0660 -1.0656 4.2297 4.2579 5.8156 5.8600 7.6650 7.6656 9.0608 9.0824 10.3129 10.3197 11.1966 11.2181 11.7075 11.7082 k = 0.1725 0.0996 0.2817 ( 8877 PWs) bands (ev): -39.5007 -39.5007 -14.0593 -14.0583 -14.0578 -14.0578 -13.0326 -13.0322 -13.0217 -13.0215 -13.0208 -13.0191 -7.3611 -7.3605 -7.3495 -7.3485 -6.5440 -6.5320 -6.4980 -6.4939 -6.4854 -6.4798 -1.1250 -1.1246 4.3679 4.3953 5.9231 5.9673 7.7318 7.7325 9.0548 9.0780 10.2550 10.2614 11.1199 11.1470 11.6986 11.7057 k = 0.1650 0.0953 0.2694 ( 8887 PWs) bands (ev): -39.5007 -39.5007 -14.0593 -14.0584 -14.0580 -14.0579 -13.0326 -13.0323 -13.0218 -13.0215 -13.0209 -13.0193 -7.3611 -7.3600 -7.3498 -7.3493 -6.5437 -6.5330 -6.4975 -6.4937 -6.4860 -6.4802 -1.1819 -1.1815 4.5092 4.5358 6.0333 6.0774 7.7958 7.7966 9.0466 9.0714 10.2007 10.2067 11.0446 11.0764 11.6918 11.7052 k = 0.1575 0.0909 0.2572 ( 8875 PWs) bands (ev): -39.5007 -39.5007 -14.0593 -14.0584 -14.0580 -14.0580 -13.0326 -13.0324 -13.0218 -13.0215 -13.0210 -13.0194 -7.3610 -7.3596 -7.3502 -7.3501 -6.5435 -6.5340 -6.4970 -6.4935 -6.4865 -6.4806 -1.2368 -1.2364 4.6535 4.6793 6.1459 6.1900 7.8567 7.8577 9.0365 9.0628 10.1499 10.1555 10.9707 11.0065 11.6853 11.7047 k = 0.1500 0.0866 0.2449 ( 8877 PWs) bands (ev): -39.5007 -39.5007 -14.0593 -14.0584 -14.0581 -14.0580 -13.0327 -13.0324 -13.0218 -13.0215 -13.0211 -13.0195 -7.3610 -7.3591 -7.3510 -7.3505 -6.5433 -6.5349 -6.4965 -6.4932 -6.4871 -6.4811 -1.2895 -1.2891 4.8006 4.8257 6.2608 6.3050 7.9141 7.9155 9.0246 9.0524 10.1027 10.1078 10.8981 10.9375 11.6762 11.7019 k = 0.1425 0.0823 0.2327 ( 8873 PWs) bands (ev): -39.5007 -39.5007 -14.0594 -14.0584 -14.0582 -14.0581 -13.0327 -13.0325 -13.0219 -13.0215 -13.0212 -13.0196 -7.3609 -7.3587 -7.3517 -7.3508 -6.5432 -6.5358 -6.4960 -6.4930 -6.4876 -6.4815 -1.3400 -1.3396 4.9506 4.9749 6.3777 6.4220 7.9679 7.9697 9.0112 9.0404 10.0589 10.0636 10.8269 10.8693 11.6613 11.6938 k = 0.1350 0.0779 0.2205 ( 8881 PWs) bands (ev): -39.5007 -39.5007 -14.0594 -14.0585 -14.0583 -14.0581 -13.0327 -13.0326 -13.0219 -13.0215 -13.0213 -13.0197 -7.3608 -7.3584 -7.3525 -7.3511 -6.5431 -6.5367 -6.4956 -6.4927 -6.4881 -6.4820 -1.3882 -1.3879 5.1033 5.1268 6.4964 6.5409 8.0177 8.0201 8.9964 9.0270 10.0185 10.0227 10.7570 10.8022 11.6368 11.6762 k = 0.1275 0.0736 0.2082 ( 8887 PWs) bands (ev): -39.5007 -39.5007 -14.0594 -14.0585 -14.0584 -14.0582 -13.0328 -13.0326 -13.0219 -13.0215 -13.0214 -13.0199 -7.3607 -7.3581 -7.3531 -7.3515 -6.5430 -6.5375 -6.4951 -6.4925 -6.4885 -6.4825 -1.4341 -1.4337 5.2586 5.2814 6.6166 6.6613 8.0636 8.0667 8.9805 9.0123 9.9814 9.9849 10.6883 10.7359 11.5980 11.6446 k = 0.1200 0.0693 0.1960 ( 8877 PWs) bands (ev): -39.5007 -39.5007 -14.0594 -14.0585 -14.0585 -14.0582 -13.0328 -13.0327 -13.0220 -13.0215 -13.0215 -13.0200 -7.3606 -7.3578 -7.3538 -7.3519 -6.5429 -6.5383 -6.4947 -6.4922 -6.4890 -6.4830 -1.4775 -1.4772 5.4164 5.4384 6.7380 6.7831 8.1053 8.1093 8.9635 8.9965 9.9475 9.9503 10.6206 10.6704 11.5408 11.5939 k = 0.1125 0.0650 0.1837 ( 8867 PWs) bands (ev): -39.5007 -39.5007 -14.0594 -14.0586 -14.0586 -14.0583 -13.0328 -13.0327 -13.0220 -13.0216 -13.0215 -13.0201 -7.3605 -7.3576 -7.3544 -7.3522 -6.5429 -6.5390 -6.4942 -6.4920 -6.4893 -6.4835 -1.5185 -1.5183 5.5766 5.5979 6.8603 6.9058 8.1430 8.1481 8.9456 8.9797 9.9166 9.9184 10.5540 10.6057 11.4624 11.5206 k = 0.1050 0.0606 0.1715 ( 8879 PWs) bands (ev): -39.5007 -39.5007 -14.0594 -14.0587 -14.0586 -14.0584 -13.0329 -13.0328 -13.0220 -13.0217 -13.0215 -13.0203 -7.3603 -7.3574 -7.3549 -7.3526 -6.5429 -6.5397 -6.4938 -6.4917 -6.4897 -6.4840 -1.5570 -1.5568 5.7389 5.7595 6.9829 7.0290 8.1766 8.1831 8.9270 8.9619 9.8885 9.8892 10.4882 10.5416 11.3620 11.4235 k = 0.0975 0.0563 0.1592 ( 8897 PWs) bands (ev): -39.5007 -39.5007 -14.0594 -14.0587 -14.0586 -14.0584 -13.0329 -13.0329 -13.0220 -13.0217 -13.0216 -13.0204 -7.3602 -7.3572 -7.3554 -7.3529 -6.5429 -6.5403 -6.4934 -6.4915 -6.4900 -6.4845 -1.5930 -1.5929 5.9033 5.9231 7.1054 7.1522 8.2065 8.2146 8.9075 8.9432 9.8622 9.8629 10.4232 10.4780 11.2419 11.3046 k = 0.0900 0.0520 0.1470 ( 8881 PWs) bands (ev): -39.5007 -39.5007 -14.0594 -14.0588 -14.0587 -14.0585 -13.0330 -13.0329 -13.0221 -13.0218 -13.0216 -13.0205 -7.3600 -7.3571 -7.3558 -7.3533 -6.5429 -6.5408 -6.4930 -6.4913 -6.4903 -6.4851 -1.6265 -1.6263 6.0694 6.0884 7.2272 7.2747 8.2330 8.2429 8.8871 8.9234 9.8373 9.8397 10.3589 10.4147 11.1056 11.1683 k = 0.0825 0.0476 0.1347 ( 8885 PWs) bands (ev): -39.5007 -39.5007 -14.0594 -14.0588 -14.0587 -14.0585 -13.0330 -13.0330 -13.0221 -13.0218 -13.0216 -13.0207 -7.3599 -7.3570 -7.3562 -7.3537 -6.5430 -6.5414 -6.4926 -6.4910 -6.4905 -6.4856 -1.6574 -1.6572 6.2370 6.2552 7.3474 7.3958 8.2564 8.2685 8.8658 8.9023 9.8140 9.8185 10.2953 10.3518 10.9576 11.0195 k = 0.0750 0.0433 0.1225 ( 8887 PWs) bands (ev): -39.5007 -39.5007 -14.0594 -14.0589 -14.0588 -14.0586 -13.0330 -13.0330 -13.0221 -13.0218 -13.0216 -13.0208 -7.3597 -7.3569 -7.3565 -7.3541 -6.5431 -6.5418 -6.4923 -6.4908 -6.4907 -6.4861 -1.6856 -1.6855 6.4057 6.4230 7.4652 7.5145 8.2774 8.2918 8.8432 8.8796 9.7918 9.7989 10.2324 10.2890 10.8024 10.8634 k = 0.0675 0.0390 0.1102 ( 8875 PWs) bands (ev): -39.5007 -39.5007 -14.0593 -14.0589 -14.0588 -14.0586 -13.0331 -13.0330 -13.0221 -13.0219 -13.0216 -13.0209 -7.3595 -7.3569 -7.3568 -7.3544 -6.5432 -6.5422 -6.4919 -6.4908 -6.4907 -6.4866 -1.7113 -1.7112 6.5752 6.5915 7.5791 7.6292 8.2968 8.3135 8.8190 8.8548 9.7701 9.7802 10.1707 10.2266 10.6441 10.7044 k = 0.0600 0.0346 0.0980 ( 8873 PWs) bands (ev): -39.5007 -39.5007 -14.0593 -14.0590 -14.0588 -14.0587 -13.0331 -13.0331 -13.0221 -13.0219 -13.0217 -13.0210 -7.3593 -7.3570 -7.3568 -7.3548 -6.5433 -6.5426 -6.4916 -6.4909 -6.4905 -6.4871 -1.7343 -1.7342 6.7447 6.7601 7.6875 7.7380 8.3156 8.3346 8.7927 8.8271 9.7481 9.7618 10.1107 10.1647 10.4872 10.5469 k = 0.0525 0.0303 0.0857 ( 8873 PWs) bands (ev): -39.5007 -39.5007 -14.0593 -14.0590 -14.0589 -14.0587 -13.0331 -13.0331 -13.0221 -13.0219 -13.0217 -13.0212 -7.3591 -7.3572 -7.3569 -7.3552 -6.5434 -6.5429 -6.4913 -6.4909 -6.4903 -6.4875 -1.7546 -1.7545 6.9137 6.9278 7.7881 7.8380 8.3355 8.3561 8.7637 8.7957 9.7246 9.7422 10.0533 10.1035 10.3364 10.3951 k = 0.0450 0.0260 0.0735 ( 8843 PWs) bands (ev): -39.5007 -39.5007 -14.0593 -14.0590 -14.0589 -14.0588 -13.0331 -13.0331 -13.0221 -13.0219 -13.0217 -13.0213 -7.3588 -7.3573 -7.3569 -7.3555 -6.5435 -6.5432 -6.4911 -6.4909 -6.4902 -6.4880 -1.7722 -1.7722 7.0811 7.0939 7.8777 7.9250 8.3586 8.3794 8.7312 8.7596 9.6979 9.7192 10.0001 10.0438 10.1978 10.2539 k = 0.0375 0.0217 0.0612 ( 8847 PWs) bands (ev): -39.5007 -39.5007 -14.0592 -14.0590 -14.0589 -14.0588 -13.0331 -13.0331 -13.0221 -13.0219 -13.0217 -13.0214 -7.3586 -7.3574 -7.3570 -7.3558 -6.5436 -6.5434 -6.4909 -6.4908 -6.4901 -6.4884 -1.7872 -1.7872 7.2456 7.2567 7.9522 7.9938 8.3875 8.4060 8.6949 8.7182 9.6661 9.6893 9.9530 9.9865 10.0790 10.1284 k = 0.0300 0.0173 0.0490 ( 8829 PWs) bands (ev): -39.5007 -39.5007 -14.0592 -14.0591 -14.0590 -14.0589 -13.0331 -13.0331 -13.0220 -13.0219 -13.0217 -13.0215 -7.3584 -7.3575 -7.3570 -7.3562 -6.5436 -6.5436 -6.4908 -6.4906 -6.4901 -6.4888 -1.7994 -1.7994 7.4054 7.4145 8.0070 8.0390 8.4230 8.4365 8.6548 8.6716 9.6283 9.6487 9.9140 9.9340 9.9878 10.0236 k = 0.0225 0.0130 0.0367 ( 8825 PWs) bands (ev): -39.5007 -39.5007 -14.0592 -14.0591 -14.0590 -14.0589 -13.0332 -13.0332 -13.0220 -13.0219 -13.0217 -13.0216 -7.3581 -7.3575 -7.3571 -7.3565 -6.5437 -6.5437 -6.4907 -6.4905 -6.4900 -6.4892 -1.8089 -1.8089 7.5577 7.5644 8.0372 8.0573 8.4623 8.4694 8.6127 8.6225 9.5860 9.5988 9.8841 9.8920 9.9243 9.9432 k = 0.0150 0.0087 0.0245 ( 8821 PWs) bands (ev): -39.5007 -39.5007 -14.0591 -14.0591 -14.0590 -14.0590 -13.0332 -13.0332 -13.0219 -13.0218 -13.0218 -13.0216 -7.3579 -7.3575 -7.3572 -7.3568 -6.5438 -6.5438 -6.4905 -6.4903 -6.4900 -6.4895 -1.8158 -1.8158 7.6985 7.7024 8.0380 8.0470 8.4985 8.5006 8.5733 8.5769 9.5453 9.5502 9.8635 9.8648 9.8817 9.8883 k = 0.0075 0.0043 0.0122 ( 8805 PWs) bands (ev): -39.5007 -39.5007 -14.0591 -14.0591 -14.0590 -14.0590 -13.0332 -13.0332 -13.0219 -13.0218 -13.0218 -13.0217 -7.3576 -7.3574 -7.3573 -7.3571 -6.5438 -6.5438 -6.4903 -6.4902 -6.4901 -6.4898 -1.8198 -1.8198 7.8211 7.8223 8.0063 8.0082 8.5237 8.5238 8.5438 8.5442 9.5150 9.5157 9.8509 9.8513 9.8559 9.8570 k = 0.0000 0.0000 0.0000 ( 8801 PWs) bands (ev): -39.5007 -39.5007 -14.0590 -14.0590 -14.0590 -14.0590 -13.0332 -13.0332 -13.0218 -13.0218 -13.0218 -13.0218 -7.3574 -7.3574 -7.3574 -7.3574 -6.5438 -6.5438 -6.4901 -6.4901 -6.4901 -6.4901 -1.8212 -1.8212 7.8956 7.8956 7.9630 7.9630 8.5326 8.5326 8.5326 8.5326 9.5036 9.5036 9.8470 9.8470 9.8470 9.8470 k = 0.0000 0.0000 0.0000 ( 8801 PWs) bands (ev): -39.5007 -39.5007 -14.0590 -14.0590 -14.0590 -14.0590 -13.0332 -13.0332 -13.0218 -13.0218 -13.0218 -13.0218 -7.3574 -7.3574 -7.3574 -7.3574 -6.5438 -6.5438 -6.4901 -6.4901 -6.4901 -6.4901 -1.8212 -1.8212 7.8956 7.8956 7.9630 7.9630 8.5326 8.5326 8.5326 8.5326 9.5036 9.5036 9.8470 9.8470 9.8470 9.8470 k = 0.0122 0.0070 0.0050 ( 8807 PWs) bands (ev): -39.5007 -39.5007 -14.0591 -14.0590 -14.0590 -14.0590 -13.0332 -13.0332 -13.0219 -13.0218 -13.0218 -13.0217 -7.3576 -7.3574 -7.3574 -7.3571 -6.5438 -6.5438 -6.4904 -6.4901 -6.4901 -6.4898 -1.8199 -1.8199 7.8218 7.8218 8.0074 8.0074 8.5277 8.5283 8.5396 8.5396 9.5154 9.5154 9.8517 9.8527 9.8552 9.8552 k = 0.0244 0.0141 0.0100 ( 8825 PWs) bands (ev): -39.5007 -39.5007 -14.0591 -14.0590 -14.0590 -14.0590 -13.0332 -13.0332 -13.0219 -13.0218 -13.0218 -13.0216 -7.3579 -7.3573 -7.3573 -7.3568 -6.5438 -6.5438 -6.4906 -6.4902 -6.4902 -6.4895 -1.8158 -1.8158 7.6994 7.6994 8.0457 8.0457 8.5140 8.5151 8.5581 8.5581 9.5486 9.5486 9.8665 9.8683 9.8808 9.8808 k = 0.0366 0.0211 0.0149 ( 8825 PWs) bands (ev): -39.5007 -39.5007 -14.0592 -14.0590 -14.0590 -14.0589 -13.0332 -13.0332 -13.0220 -13.0218 -13.0218 -13.0216 -7.3581 -7.3573 -7.3573 -7.3565 -6.5437 -6.5437 -6.4907 -6.4903 -6.4903 -6.4891 -1.8090 -1.8090 7.5564 7.5564 8.0594 8.0594 8.4920 8.4937 8.5814 8.5814 9.5976 9.5976 9.8905 9.8932 9.9264 9.9264 k = 0.0488 0.0282 0.0199 ( 8831 PWs) bands (ev): -39.5007 -39.5007 -14.0592 -14.0590 -14.0590 -14.0589 -13.0331 -13.0331 -13.0220 -13.0218 -13.0218 -13.0215 -7.3584 -7.3573 -7.3573 -7.3562 -6.5436 -6.5436 -6.4908 -6.4904 -6.4904 -6.4887 -1.7996 -1.7996 7.3996 7.3996 8.0534 8.0534 8.4630 8.4650 8.6029 8.6029 9.6543 9.6543 9.9226 9.9261 9.9950 9.9950 k = 0.0610 0.0352 0.0249 ( 8849 PWs) bands (ev): -39.5007 -39.5007 -14.0592 -14.0590 -14.0590 -14.0588 -13.0331 -13.0331 -13.0220 -13.0218 -13.0218 -13.0214 -7.3586 -7.3572 -7.3572 -7.3559 -6.5435 -6.5435 -6.4909 -6.4905 -6.4905 -6.4883 -1.7875 -1.7875 7.2329 7.2329 8.0332 8.0332 8.4280 8.4304 8.6187 8.6187 9.7119 9.7119 9.9613 9.9656 10.0880 10.0880 k = 0.0732 0.0422 0.0299 ( 8852 PWs) bands (ev): -39.5007 -39.5007 -14.0593 -14.0590 -14.0590 -14.0588 -13.0331 -13.0331 -13.0221 -13.0218 -13.0218 -13.0212 -7.3588 -7.3571 -7.3571 -7.3555 -6.5433 -6.5433 -6.4909 -6.4907 -6.4907 -6.4878 -1.7726 -1.7726 7.0595 7.0595 8.0033 8.0033 8.3882 8.3909 8.6271 8.6271 9.7674 9.7674 10.0051 10.0101 10.2025 10.2025 k = 0.0854 0.0493 0.0349 ( 8852 PWs) bands (ev): -39.5007 -39.5007 -14.0593 -14.0589 -14.0589 -14.0587 -13.0331 -13.0331 -13.0221 -13.0218 -13.0218 -13.0211 -7.3590 -7.3570 -7.3570 -7.3552 -6.5431 -6.5431 -6.4910 -6.4910 -6.4909 -6.4873 -1.7552 -1.7552 6.8813 6.8813 7.9667 7.9667 8.3448 8.3477 8.6281 8.6281 9.8207 9.8207 10.0525 10.0581 10.3335 10.3335 k = 0.0976 0.0563 0.0398 ( 8858 PWs) bands (ev): -39.5007 -39.5007 -14.0593 -14.0589 -14.0589 -14.0587 -13.0331 -13.0331 -13.0221 -13.0218 -13.0218 -13.0210 -7.3591 -7.3569 -7.3569 -7.3549 -6.5429 -6.5429 -6.4912 -6.4912 -6.4908 -6.4868 -1.7350 -1.7350 6.7001 6.7001 7.9254 7.9254 8.2987 8.3017 8.6224 8.6224 9.8724 9.8724 10.1021 10.1081 10.4760 10.4760 k = 0.1098 0.0634 0.0448 ( 8870 PWs) bands (ev): -39.5007 -39.5007 -14.0593 -14.0589 -14.0589 -14.0586 -13.0330 -13.0330 -13.0221 -13.0218 -13.0218 -13.0209 -7.3593 -7.3568 -7.3568 -7.3546 -6.5427 -6.5427 -6.4915 -6.4915 -6.4907 -6.4863 -1.7123 -1.7123 6.5169 6.5169 7.8810 7.8810 8.2507 8.2538 8.6109 8.6109 9.9230 9.9230 10.1523 10.1588 10.6259 10.6259 k = 0.1220 0.0704 0.0498 ( 8864 PWs) bands (ev): -39.5007 -39.5007 -14.0594 -14.0588 -14.0588 -14.0586 -13.0330 -13.0330 -13.0220 -13.0218 -13.0218 -13.0208 -7.3594 -7.3567 -7.3567 -7.3543 -6.5424 -6.5424 -6.4918 -6.4918 -6.4906 -6.4857 -1.6869 -1.6869 6.3328 6.3328 7.8346 7.8346 8.2015 8.2047 8.5946 8.5946 9.9723 9.9723 10.2019 10.2089 10.7804 10.7804 k = 0.1341 0.0774 0.0548 ( 8888 PWs) bands (ev): -39.5007 -39.5007 -14.0594 -14.0588 -14.0588 -14.0586 -13.0330 -13.0330 -13.0220 -13.0218 -13.0218 -13.0206 -7.3595 -7.3566 -7.3566 -7.3540 -6.5422 -6.5422 -6.4922 -6.4922 -6.4904 -6.4851 -1.6590 -1.6590 6.1483 6.1483 7.7869 7.7869 8.1517 8.1549 8.5744 8.5744 10.0199 10.0199 10.2496 10.2569 10.9375 10.9375 k = 0.1463 0.0845 0.0597 ( 8894 PWs) bands (ev): -39.5007 -39.5007 -14.0594 -14.0587 -14.0587 -14.0585 -13.0329 -13.0329 -13.0220 -13.0218 -13.0218 -13.0205 -7.3596 -7.3565 -7.3565 -7.3537 -6.5419 -6.5419 -6.4925 -6.4925 -6.4901 -6.4846 -1.6285 -1.6285 5.9641 5.9641 7.7386 7.7386 8.1018 8.1050 8.5509 8.5509 10.0651 10.0651 10.2943 10.3019 11.0960 11.0960 k = 0.1585 0.0915 0.0647 ( 8894 PWs) bands (ev): -39.5007 -39.5007 -14.0594 -14.0587 -14.0587 -14.0585 -13.0329 -13.0329 -13.0219 -13.0218 -13.0218 -13.0204 -7.3596 -7.3563 -7.3563 -7.3535 -6.5415 -6.5415 -6.4929 -6.4929 -6.4898 -6.4840 -1.5954 -1.5954 5.7807 5.7807 7.6902 7.6902 8.0521 8.0553 8.5250 8.5250 10.1072 10.1072 10.3348 10.3427 11.2550 11.2550 k = 0.1707 0.0986 0.0697 ( 8882 PWs) bands (ev): -39.5007 -39.5007 -14.0594 -14.0586 -14.0586 -14.0584 -13.0328 -13.0328 -13.0218 -13.0217 -13.0217 -13.0202 -7.3597 -7.3562 -7.3562 -7.3532 -6.5412 -6.5412 -6.4933 -6.4933 -6.4895 -6.4834 -1.5600 -1.5600 5.5985 5.5985 7.6421 7.6421 8.0030 8.0062 8.4971 8.4971 10.1453 10.1453 10.3703 10.3783 11.4139 11.4139 k = 0.1829 0.1056 0.0747 ( 8888 PWs) bands (ev): -39.5007 -39.5007 -14.0594 -14.0585 -14.0585 -14.0584 -13.0328 -13.0328 -13.0218 -13.0217 -13.0217 -13.0201 -7.3597 -7.3560 -7.3560 -7.3530 -6.5408 -6.5408 -6.4937 -6.4937 -6.4891 -6.4828 -1.5220 -1.5220 5.4177 5.4177 7.5946 7.5946 7.9546 7.9578 8.4679 8.4679 10.1788 10.1788 10.4000 10.4081 11.5724 11.5724 k = 0.1951 0.1127 0.0797 ( 8873 PWs) bands (ev): -39.5007 -39.5007 -14.0594 -14.0585 -14.0585 -14.0584 -13.0327 -13.0327 -13.0217 -13.0217 -13.0217 -13.0199 -7.3596 -7.3559 -7.3559 -7.3527 -6.5405 -6.5405 -6.4942 -6.4942 -6.4887 -6.4821 -1.4817 -1.4817 5.2388 5.2388 7.5478 7.5478 7.9074 7.9105 8.4376 8.4376 10.2072 10.2072 10.4234 10.4314 11.7304 11.7304 k = 0.2073 0.1197 0.0846 ( 8867 PWs) bands (ev): -39.5007 -39.5007 -14.0594 -14.0584 -14.0584 -14.0583 -13.0327 -13.0327 -13.0217 -13.0217 -13.0216 -13.0198 -7.3596 -7.3557 -7.3557 -7.3525 -6.5401 -6.5401 -6.4946 -6.4946 -6.4883 -6.4815 -1.4391 -1.4391 5.0619 5.0619 7.5022 7.5022 7.8613 7.8643 8.4069 8.4069 10.2300 10.2300 10.4402 10.4481 11.8878 11.8878 k = 0.2195 0.1267 0.0896 ( 8885 PWs) bands (ev): -39.5007 -39.5007 -14.0594 -14.0583 -14.0583 -14.0583 -13.0326 -13.0326 -13.0217 -13.0217 -13.0215 -13.0197 -7.3595 -7.3556 -7.3556 -7.3523 -6.5397 -6.5397 -6.4951 -6.4951 -6.4878 -6.4810 -1.3942 -1.3942 4.8874 4.8874 7.4577 7.4577 7.8165 7.8195 8.3758 8.3758 10.2472 10.2472 10.4504 10.4582 12.0444 12.0444 k = 0.2317 0.1338 0.0946 ( 8882 PWs) bands (ev): -39.5007 -39.5007 -14.0594 -14.0583 -14.0583 -14.0583 -13.0326 -13.0326 -13.0217 -13.0217 -13.0214 -13.0196 -7.3595 -7.3554 -7.3554 -7.3522 -6.5393 -6.5393 -6.4956 -6.4956 -6.4873 -6.4804 -1.3472 -1.3472 4.7155 4.7155 7.4145 7.4145 7.7733 7.7762 8.3448 8.3448 10.2587 10.2587 10.4543 10.4618 12.2002 12.2002 k = 0.2439 0.1408 0.0996 ( 8877 PWs) bands (ev): -39.5007 -39.5007 -14.0594 -14.0582 -14.0582 -14.0582 -13.0325 -13.0325 -13.0217 -13.0217 -13.0213 -13.0194 -7.3594 -7.3553 -7.3553 -7.3520 -6.5389 -6.5389 -6.4961 -6.4961 -6.4868 -6.4798 -1.2981 -1.2981 4.5464 4.5464 7.3728 7.3728 7.7316 7.7344 8.3141 8.3141 10.2648 10.2648 10.4523 10.4596 12.3547 12.3547 k = 0.2561 0.1479 0.1046 ( 8871 PWs) bands (ev): -39.5007 -39.5007 -14.0593 -14.0582 -14.0581 -14.0581 -13.0325 -13.0325 -13.0217 -13.0217 -13.0212 -13.0193 -7.3592 -7.3551 -7.3551 -7.3519 -6.5384 -6.5384 -6.4966 -6.4966 -6.4862 -6.4792 -1.2471 -1.2471 4.3804 4.3804 7.3327 7.3327 7.6915 7.6942 8.2839 8.2839 10.2658 10.2658 10.4451 10.4520 12.5066 12.5066 k = 0.2683 0.1549 0.1095 ( 8871 PWs) bands (ev): -39.5007 -39.5007 -14.0593 -14.0582 -14.0580 -14.0580 -13.0324 -13.0324 -13.0217 -13.0217 -13.0210 -13.0192 -7.3591 -7.3549 -7.3549 -7.3518 -6.5380 -6.5380 -6.4971 -6.4971 -6.4856 -6.4787 -1.1942 -1.1942 4.2176 4.2176 7.2942 7.2942 7.6532 7.6558 8.2544 8.2544 10.2623 10.2623 10.4334 10.4399 12.6502 12.6502 k = 0.2805 0.1619 0.1145 ( 8862 PWs) bands (ev): -39.5007 -39.5007 -14.0593 -14.0582 -14.0580 -14.0580 -13.0324 -13.0324 -13.0217 -13.0217 -13.0209 -13.0191 -7.3589 -7.3548 -7.3548 -7.3517 -6.5376 -6.5376 -6.4976 -6.4976 -6.4851 -6.4782 -1.1397 -1.1397 4.0584 4.0584 7.2575 7.2575 7.6167 7.6192 8.2257 8.2257 10.2548 10.2548 10.4179 10.4240 12.7571 12.7571 k = 0.2927 0.1690 0.1195 ( 8868 PWs) bands (ev): -39.5007 -39.5007 -14.0592 -14.0582 -14.0579 -14.0579 -13.0323 -13.0323 -13.0216 -13.0216 -13.0208 -13.0190 -7.3587 -7.3546 -7.3546 -7.3517 -6.5372 -6.5372 -6.4980 -6.4980 -6.4845 -6.4777 -1.0836 -1.0836 3.9029 3.9029 7.2225 7.2225 7.5819 7.5844 8.1980 8.1980 10.2441 10.2441 10.3994 10.4051 12.7926 12.7926 k = 0.3049 0.1760 0.1245 ( 8862 PWs) bands (ev): -39.5007 -39.5007 -14.0592 -14.0582 -14.0578 -14.0578 -13.0323 -13.0323 -13.0216 -13.0216 -13.0207 -13.0189 -7.3585 -7.3545 -7.3545 -7.3516 -6.5367 -6.5367 -6.4985 -6.4985 -6.4838 -6.4773 -1.0263 -1.0263 3.7515 3.7515 7.1893 7.1893 7.5491 7.5514 8.1714 8.1714 10.2307 10.2307 10.3787 10.3840 12.7995 12.7995 k = 0.3171 0.1831 0.1294 ( 8862 PWs) bands (ev): -39.5007 -39.5007 -14.0592 -14.0582 -14.0578 -14.0578 -13.0322 -13.0322 -13.0216 -13.0216 -13.0205 -13.0188 -7.3583 -7.3543 -7.3543 -7.3516 -6.5363 -6.5363 -6.4990 -6.4990 -6.4832 -6.4769 -0.9679 -0.9679 3.6044 3.6044 7.1580 7.1580 7.5182 7.5204 8.1460 8.1460 10.2153 10.2153 10.3564 10.3613 12.7998 12.7998 k = 0.3293 0.1901 0.1344 ( 8862 PWs) bands (ev): -39.5007 -39.5007 -14.0591 -14.0582 -14.0577 -14.0577 -13.0322 -13.0322 -13.0216 -13.0216 -13.0204 -13.0188 -7.3581 -7.3542 -7.3542 -7.3516 -6.5359 -6.5359 -6.4995 -6.4995 -6.4826 -6.4765 -0.9087 -0.9087 3.4621 3.4621 7.1286 7.1286 7.4892 7.4912 8.1219 8.1219 10.1985 10.1985 10.3332 10.3377 12.7978 12.7978 k = 0.3415 0.1971 0.1394 ( 8862 PWs) bands (ev): -39.5007 -39.5007 -14.0591 -14.0582 -14.0577 -14.0577 -13.0321 -13.0321 -13.0216 -13.0216 -13.0202 -13.0187 -7.3578 -7.3541 -7.3541 -7.3517 -6.5355 -6.5355 -6.4999 -6.4999 -6.4820 -6.4761 -0.8491 -0.8491 3.3249 3.3249 7.1011 7.1011 7.4621 7.4640 8.0992 8.0992 10.1808 10.1808 10.3096 10.3138 12.7949 12.7949 k = 0.3537 0.2042 0.1444 ( 8862 PWs) bands (ev): -39.5007 -39.5007 -14.0591 -14.0582 -14.0576 -14.0576 -13.0321 -13.0321 -13.0216 -13.0216 -13.0201 -13.0186 -7.3576 -7.3540 -7.3540 -7.3517 -6.5351 -6.5351 -6.5003 -6.5003 -6.4814 -6.4758 -0.7894 -0.7894 3.1931 3.1931 7.0755 7.0755 7.4370 7.4388 8.0780 8.0780 10.1627 10.1627 10.2862 10.2900 12.7916 12.7916 k = 0.3659 0.2112 0.1494 ( 8859 PWs) bands (ev): -39.5007 -39.5007 -14.0590 -14.0582 -14.0575 -14.0575 -13.0320 -13.0320 -13.0216 -13.0216 -13.0200 -13.0186 -7.3573 -7.3538 -7.3538 -7.3518 -6.5348 -6.5348 -6.5007 -6.5007 -6.4808 -6.4756 -0.7301 -0.7301 3.0674 3.0674 7.0520 7.0520 7.4139 7.4156 8.0582 8.0582 10.1447 10.1447 10.2633 10.2667 12.7882 12.7882 k = 0.3780 0.2183 0.1543 ( 8844 PWs) bands (ev): -39.5007 -39.5007 -14.0590 -14.0582 -14.0575 -14.0575 -13.0320 -13.0320 -13.0216 -13.0216 -13.0198 -13.0185 -7.3570 -7.3537 -7.3537 -7.3519 -6.5344 -6.5344 -6.5011 -6.5011 -6.4802 -6.4754 -0.6717 -0.6717 2.9483 2.9483 7.0305 7.0305 7.3928 7.3943 8.0400 8.0400 10.1271 10.1271 10.2414 10.2444 12.7847 12.7847 k = 0.3902 0.2253 0.1593 ( 8832 PWs) bands (ev): -39.5007 -39.5007 -14.0589 -14.0582 -14.0574 -14.0574 -13.0320 -13.0320 -13.0216 -13.0216 -13.0197 -13.0185 -7.3567 -7.3536 -7.3536 -7.3521 -6.5341 -6.5341 -6.5015 -6.5015 -6.4796 -6.4752 -0.6148 -0.6148 2.8364 2.8364 7.0109 7.0109 7.3737 7.3751 8.0235 8.0235 10.1103 10.1103 10.2207 10.2234 12.7814 12.7814 k = 0.4024 0.2323 0.1643 ( 8835 PWs) bands (ev): -39.5007 -39.5007 -14.0589 -14.0582 -14.0574 -14.0574 -13.0319 -13.0319 -13.0216 -13.0216 -13.0196 -13.0185 -7.3564 -7.3535 -7.3535 -7.3522 -6.5338 -6.5338 -6.5018 -6.5018 -6.4791 -6.4750 -0.5602 -0.5602 2.7324 2.7324 6.9934 6.9934 7.3566 7.3578 8.0085 8.0085 10.0946 10.0946 10.2016 10.2040 12.7783 12.7783 k = 0.4146 0.2394 0.1693 ( 8838 PWs) bands (ev): -39.5007 -39.5007 -14.0588 -14.0583 -14.0574 -14.0574 -13.0319 -13.0319 -13.0216 -13.0216 -13.0194 -13.0185 -7.3561 -7.3535 -7.3535 -7.3524 -6.5336 -6.5336 -6.5021 -6.5021 -6.4785 -6.4750 -0.5086 -0.5086 2.6373 2.6373 6.9780 6.9780 7.3415 7.3426 7.9953 7.9953 10.0802 10.0802 10.1842 10.1863 12.7755 12.7755 k = 0.4268 0.2464 0.1743 ( 8832 PWs) bands (ev): -39.5007 -39.5007 -14.0588 -14.0583 -14.0573 -14.0573 -13.0319 -13.0319 -13.0216 -13.0216 -13.0193 -13.0185 -7.3558 -7.3534 -7.3534 -7.3526 -6.5333 -6.5333 -6.5023 -6.5023 -6.4780 -6.4749 -0.4610 -0.4610 2.5518 2.5518 6.9645 6.9645 7.3284 7.3294 7.9838 7.9838 10.0673 10.0673 10.1688 10.1706 12.7729 12.7729 k = 0.4390 0.2535 0.1792 ( 8838 PWs) bands (ev): -39.5007 -39.5007 -14.0587 -14.0583 -14.0573 -14.0573 -13.0318 -13.0318 -13.0216 -13.0216 -13.0192 -13.0185 -7.3555 -7.3533 -7.3533 -7.3528 -6.5331 -6.5331 -6.5026 -6.5026 -6.4775 -6.4749 -0.4183 -0.4183 2.4771 2.4771 6.9532 6.9532 7.3174 7.3182 7.9740 7.9740 10.0561 10.0561 10.1555 10.1570 12.7707 12.7707 k = 0.4512 0.2605 0.1842 ( 8841 PWs) bands (ev): -39.5007 -39.5007 -14.0587 -14.0583 -14.0573 -14.0573 -13.0318 -13.0318 -13.0216 -13.0216 -13.0191 -13.0186 -7.3552 -7.3533 -7.3533 -7.3530 -6.5329 -6.5329 -6.5028 -6.5028 -6.4771 -6.4750 -0.3814 -0.3814 2.4140 2.4140 6.9439 6.9439 7.3084 7.3090 7.9659 7.9659 10.0468 10.0468 10.1445 10.1457 12.7688 12.7688 k = 0.4634 0.2676 0.1892 ( 8847 PWs) bands (ev): -39.5007 -39.5007 -14.0586 -14.0584 -14.0573 -14.0573 -13.0318 -13.0318 -13.0216 -13.0216 -13.0190 -13.0186 -7.3549 -7.3533 -7.3532 -7.3532 -6.5328 -6.5328 -6.5029 -6.5029 -6.4767 -6.4751 -0.3515 -0.3515 2.3637 2.3637 6.9366 6.9366 7.3014 7.3018 7.9597 7.9597 10.0394 10.0394 10.1359 10.1368 12.7674 12.7674 k = 0.4756 0.2746 0.1942 ( 8829 PWs) bands (ev): -39.5006 -39.5006 -14.0586 -14.0584 -14.0572 -14.0572 -13.0318 -13.0318 -13.0216 -13.0216 -13.0189 -13.0186 -7.3546 -7.3535 -7.3532 -7.3532 -6.5327 -6.5327 -6.5030 -6.5030 -6.4763 -6.4753 -0.3294 -0.3294 2.3269 2.3269 6.9314 6.9314 7.2964 7.2967 7.9552 7.9552 10.0341 10.0341 10.1297 10.1303 12.7663 12.7663 k = 0.4878 0.2816 0.1991 ( 8838 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0572 -14.0572 -13.0318 -13.0318 -13.0216 -13.0216 -13.0188 -13.0187 -7.3544 -7.3538 -7.3532 -7.3532 -6.5327 -6.5327 -6.5031 -6.5031 -6.4760 -6.4755 -0.3158 -0.3158 2.3046 2.3046 6.9283 6.9283 7.2934 7.2936 7.9525 7.9525 10.0309 10.0309 10.1261 10.1264 12.7657 12.7657 k = 0.5000 0.2887 0.2041 ( 8850 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0572 -14.0572 -13.0318 -13.0318 -13.0216 -13.0216 -13.0188 -13.0188 -7.3541 -7.3541 -7.3532 -7.3532 -6.5326 -6.5326 -6.5031 -6.5031 -6.4757 -6.4757 -0.3112 -0.3112 2.2971 2.2971 6.9273 6.9273 7.2925 7.2925 7.9516 7.9516 10.0298 10.0298 10.1249 10.1249 12.7655 12.7655 k = 0.5000 0.2887 0.2041 ( 8850 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0572 -14.0572 -13.0318 -13.0318 -13.0216 -13.0216 -13.0188 -13.0188 -7.3541 -7.3541 -7.3532 -7.3532 -6.5326 -6.5326 -6.5031 -6.5031 -6.4757 -6.4757 -0.3112 -0.3112 2.2971 2.2971 6.9273 6.9273 7.2925 7.2925 7.9516 7.9516 10.0298 10.0298 10.1249 10.1249 12.7655 12.7655 k = 0.5043 0.2762 0.2112 ( 8840 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0573 -14.0572 -13.0318 -13.0317 -13.0216 -13.0216 -13.0188 -13.0188 -7.3547 -7.3543 -7.3533 -7.3522 -6.5338 -6.5315 -6.5034 -6.5028 -6.4757 -6.4757 -0.3099 -0.3097 2.2966 2.2982 6.9098 6.9152 7.2709 7.2712 7.9805 7.9834 10.0327 10.0345 10.1281 10.1282 12.7721 12.7732 k = 0.5086 0.2638 0.2182 ( 8840 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0573 -14.0572 -13.0319 -13.0317 -13.0216 -13.0215 -13.0188 -13.0188 -7.3558 -7.3547 -7.3530 -7.3511 -6.5350 -6.5303 -6.5036 -6.5024 -6.4757 -6.4757 -0.3060 -0.3056 2.2967 2.2999 6.8616 6.8723 7.2196 7.2214 8.0581 8.0629 10.0419 10.0457 10.1389 10.1393 12.7929 12.7952 k = 0.5129 0.2513 0.2252 ( 8854 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0573 -14.0571 -13.0319 -13.0317 -13.0216 -13.0215 -13.0188 -13.0187 -7.3569 -7.3550 -7.3526 -7.3499 -6.5361 -6.5292 -6.5038 -6.5021 -6.4758 -6.4757 -0.2994 -0.2988 2.2975 2.3023 6.7823 6.7977 7.1609 7.1645 8.1627 8.1682 10.0547 10.0609 10.1606 10.1616 12.8275 12.8309 k = 0.5172 0.2389 0.2323 ( 8846 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0573 -14.0571 -13.0319 -13.0316 -13.0216 -13.0215 -13.0187 -13.0187 -7.3580 -7.3554 -7.3521 -7.3488 -6.5373 -6.5281 -6.5040 -6.5017 -6.4758 -6.4758 -0.2902 -0.2893 2.2987 2.3051 6.6771 6.6957 7.1059 7.1105 8.2785 8.2839 10.0694 10.0780 10.1963 10.1978 12.8751 12.8798 k = 0.5216 0.2265 0.2393 ( 8846 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0573 -14.0570 -13.0319 -13.0316 -13.0216 -13.0215 -13.0187 -13.0187 -7.3590 -7.3557 -7.3517 -7.3476 -6.5384 -6.5270 -6.5041 -6.5012 -6.4758 -6.4758 -0.2783 -0.2772 2.3003 2.3084 6.5542 6.5749 7.0547 7.0596 8.3958 8.4006 10.0872 10.0981 10.2465 10.2483 12.9349 12.9409 k = 0.5259 0.2140 0.2464 ( 8845 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0573 -14.0570 -13.0320 -13.0315 -13.0216 -13.0214 -13.0187 -13.0187 -7.3601 -7.3560 -7.3513 -7.3465 -6.5395 -6.5259 -6.5042 -6.5008 -6.4759 -6.4758 -0.2638 -0.2624 2.3022 2.3120 6.4210 6.4431 7.0047 7.0096 8.5082 8.5120 10.1114 10.1247 10.3097 10.3116 13.0056 13.0131 k = 0.5302 0.2016 0.2534 ( 8843 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0573 -14.0569 -13.0320 -13.0315 -13.0216 -13.0214 -13.0187 -13.0187 -7.3611 -7.3563 -7.3508 -7.3454 -6.5406 -6.5249 -6.5043 -6.5003 -6.4760 -6.4759 -0.2467 -0.2450 2.3042 2.3158 6.2824 6.3058 6.9541 6.9587 8.6107 8.6133 10.1459 10.1616 10.3841 10.3862 13.0854 13.0948 k = 0.5345 0.1891 0.2604 ( 8847 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0573 -14.0569 -13.0320 -13.0315 -13.0216 -13.0213 -13.0187 -13.0186 -7.3621 -7.3566 -7.3504 -7.3443 -6.5417 -6.5238 -6.5043 -6.4999 -6.4760 -6.4759 -0.2269 -0.2250 2.3062 2.3196 6.1419 6.1663 6.9020 6.9063 8.6995 8.7009 10.1941 10.2123 10.4684 10.4707 13.1719 13.1836 k = 0.5388 0.1767 0.2675 ( 8844 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0573 -14.0568 -13.0321 -13.0314 -13.0216 -13.0213 -13.0187 -13.0186 -7.3630 -7.3569 -7.3500 -7.3433 -6.5427 -6.5229 -6.5043 -6.4994 -6.4761 -6.4760 -0.2047 -0.2024 2.3078 2.3231 6.0014 6.0270 6.8483 6.8523 8.7720 8.7722 10.2584 10.2792 10.5614 10.5639 13.2605 13.2755 k = 0.5431 0.1642 0.2745 ( 8842 PWs) bands (ev): -39.5007 -39.5006 -14.0585 -14.0585 -14.0573 -14.0568 -13.0321 -13.0314 -13.0216 -13.0212 -13.0187 -13.0186 -7.3640 -7.3572 -7.3495 -7.3423 -6.5437 -6.5220 -6.5042 -6.4989 -6.4762 -6.4760 -0.1799 -0.1773 2.3089 2.3261 5.8626 5.8893 6.7931 6.7968 8.8260 8.8270 10.3400 10.3635 10.6620 10.6650 13.3417 13.3617 k = 0.5474 0.1518 0.2816 ( 8843 PWs) bands (ev): -39.5007 -39.5006 -14.0585 -14.0585 -14.0573 -14.0567 -13.0321 -13.0313 -13.0216 -13.0211 -13.0187 -13.0185 -7.3648 -7.3574 -7.3491 -7.3413 -6.5447 -6.5211 -6.5041 -6.4984 -6.4763 -6.4760 -0.1527 -0.1497 2.3091 2.3283 5.7266 5.7545 6.7368 6.7403 8.8630 8.8648 10.4383 10.4645 10.7695 10.7731 13.3927 13.4198 k = 0.5517 0.1394 0.2886 ( 8848 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0573 -14.0567 -13.0321 -13.0313 -13.0216 -13.0211 -13.0187 -13.0185 -7.3656 -7.3576 -7.3487 -7.3404 -6.5456 -6.5203 -6.5040 -6.4979 -6.4765 -6.4761 -0.1231 -0.1196 2.3080 2.3294 5.5944 5.6235 6.6798 6.6831 8.8850 8.8874 10.5513 10.5805 10.8830 10.8874 13.3774 13.4083 k = 0.5560 0.1269 0.2956 ( 8856 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0573 -14.0566 -13.0321 -13.0312 -13.0217 -13.0210 -13.0187 -13.0184 -7.3664 -7.3578 -7.3483 -7.3395 -6.5465 -6.5196 -6.5038 -6.4974 -6.4766 -6.4761 -0.0911 -0.0872 2.3054 2.3289 5.4670 5.4974 6.6225 6.6257 8.8943 8.8971 10.6763 10.7089 11.0018 11.0073 13.2929 13.3202 k = 0.5603 0.1145 0.3027 ( 8857 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0573 -14.0566 -13.0322 -13.0312 -13.0217 -13.0209 -13.0187 -13.0183 -7.3672 -7.3580 -7.3479 -7.3386 -6.5473 -6.5189 -6.5035 -6.4969 -6.4767 -6.4761 -0.0569 -0.0525 2.3007 2.3265 5.3452 5.3769 6.5652 6.5683 8.8936 8.8966 10.8102 10.8469 11.1252 11.1322 13.1732 13.1944 k = 0.5647 0.1020 0.3097 ( 8855 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0584 -14.0573 -14.0565 -13.0322 -13.0311 -13.0217 -13.0208 -13.0187 -13.0183 -7.3678 -7.3581 -7.3475 -7.3379 -6.5480 -6.5183 -6.5032 -6.4964 -6.4769 -6.4761 -0.0206 -0.0155 2.2936 2.3217 5.2297 5.2628 6.5084 6.5114 8.8852 8.8884 10.9495 10.9914 11.2524 11.2613 13.0412 13.0562 k = 0.5690 0.0896 0.3167 ( 8853 PWs) bands (ev): -39.5007 -39.5006 -14.0585 -14.0584 -14.0573 -14.0565 -13.0322 -13.0311 -13.0217 -13.0208 -13.0188 -13.0182 -7.3685 -7.3583 -7.3471 -7.3371 -6.5487 -6.5178 -6.5029 -6.4960 -6.4770 -6.4761 0.0178 0.0234 2.2837 2.3140 5.1215 5.1559 6.4523 6.4552 8.8712 8.8744 11.0910 11.1395 11.3825 11.3941 12.9079 12.9163 k = 0.5733 0.0771 0.3238 ( 8854 PWs) bands (ev): -39.5007 -39.5006 -14.0584 -14.0584 -14.0573 -14.0564 -13.0322 -13.0310 -13.0217 -13.0207 -13.0188 -13.0182 -7.3690 -7.3584 -7.3468 -7.3365 -6.5494 -6.5174 -6.5024 -6.4956 -6.4772 -6.4761 0.0580 0.0644 2.2704 2.3031 5.0212 5.0569 6.3972 6.4001 8.8531 8.8564 11.2303 11.2875 11.5146 11.5296 12.7799 12.7810 k = 0.5776 0.0647 0.3308 ( 8848 PWs) bands (ev): -39.5006 -39.5006 -14.0584 -14.0584 -14.0573 -14.0564 -13.0322 -13.0310 -13.0217 -13.0206 -13.0188 -13.0181 -7.3696 -7.3585 -7.3465 -7.3359 -6.5500 -6.5171 -6.5020 -6.4951 -6.4773 -6.4760 0.0999 0.1070 2.2534 2.2885 4.9295 4.9666 6.3435 6.3464 8.8323 8.8356 11.3620 11.4304 11.6471 11.6663 12.6564 12.6641 k = 0.5819 0.0523 0.3379 ( 8845 PWs) bands (ev): -39.5006 -39.5006 -14.0584 -14.0584 -14.0573 -14.0563 -13.0322 -13.0310 -13.0217 -13.0205 -13.0188 -13.0180 -7.3700 -7.3586 -7.3461 -7.3353 -6.5505 -6.5169 -6.5015 -6.4947 -6.4775 -6.4760 0.1432 0.1512 2.2326 2.2698 4.8473 4.8855 6.2912 6.2941 8.8098 8.8133 11.4770 11.5589 11.7784 11.8022 12.5526 12.5706 k = 0.5862 0.0398 0.3449 ( 8845 PWs) bands (ev): -39.5006 -39.5006 -14.0584 -14.0584 -14.0573 -14.0563 -13.0322 -13.0309 -13.0217 -13.0204 -13.0189 -13.0180 -7.3705 -7.3587 -7.3458 -7.3348 -6.5510 -6.5167 -6.5009 -6.4944 -6.4777 -6.4760 0.1877 0.1966 2.2076 2.2470 4.7749 4.8141 6.2407 6.2436 8.7864 8.7900 11.5609 11.6552 11.9077 11.9347 12.4872 12.5153 k = 0.5905 0.0274 0.3519 ( 8845 PWs) bands (ev): -39.5006 -39.5006 -14.0584 -14.0583 -14.0573 -14.0563 -13.0322 -13.0309 -13.0217 -13.0203 -13.0189 -13.0179 -7.3708 -7.3587 -7.3456 -7.3344 -6.5514 -6.5167 -6.5003 -6.4940 -6.4778 -6.4759 0.2330 0.2429 2.1786 2.2201 4.7128 4.7529 6.1922 6.1951 8.7628 8.7666 11.5959 11.6935 12.0369 12.0623 12.4822 12.5162 k = 0.5948 0.0149 0.3590 ( 8849 PWs) bands (ev): -39.5006 -39.5006 -14.0584 -14.0583 -14.0573 -14.0562 -13.0322 -13.0309 -13.0217 -13.0202 -13.0189 -13.0179 -7.3712 -7.3588 -7.3453 -7.3341 -6.5518 -6.5167 -6.4997 -6.4937 -6.4780 -6.4758 0.2786 0.2896 2.1458 2.1892 4.6614 4.7021 6.1457 6.1486 8.7394 8.7434 11.5744 11.6642 12.1681 12.1863 12.5435 12.5778 k = 0.5991 0.0025 0.3660 ( 8845 PWs) bands (ev): -39.5006 -39.5006 -14.0583 -14.0583 -14.0573 -14.0562 -13.0322 -13.0309 -13.0217 -13.0201 -13.0190 -13.0178 -7.3714 -7.3588 -7.3451 -7.3338 -6.5520 -6.5168 -6.4991 -6.4934 -6.4782 -6.4758 0.3240 0.3362 2.1099 2.1549 4.6206 4.6617 6.1014 6.1043 8.7167 8.7210 11.5077 11.5864 12.2999 12.3091 12.6512 12.6840 k = 0.6034-0.0100 0.3731 ( 8845 PWs) bands (ev): -39.5006 -39.5006 -14.0583 -14.0583 -14.0573 -14.0562 -13.0322 -13.0308 -13.0217 -13.0200 -13.0190 -13.0177 -7.3716 -7.3589 -7.3449 -7.3336 -6.5522 -6.5170 -6.4984 -6.4932 -6.4784 -6.4757 0.3685 0.3819 2.0717 2.1182 4.5903 4.6316 6.0594 6.0624 8.6950 8.6997 11.4136 11.4827 12.4292 12.4304 12.7827 12.8145 k = 0.6078-0.0224 0.3801 ( 8845 PWs) bands (ev): -39.5006 -39.5006 -14.0583 -14.0582 -14.0573 -14.0562 -13.0322 -13.0308 -13.0217 -13.0199 -13.0190 -13.0177 -7.3718 -7.3589 -7.3447 -7.3334 -6.5524 -6.5172 -6.4978 -6.4929 -6.4786 -6.4757 0.4111 0.4257 2.0323 2.0801 4.5703 4.6115 6.0199 6.0230 8.6746 8.6796 11.3047 11.3666 12.5482 12.5533 12.9232 12.9548 k = 0.6121-0.0348 0.3871 ( 8847 PWs) bands (ev): -39.5006 -39.5006 -14.0583 -14.0582 -14.0573 -14.0562 -13.0322 -13.0308 -13.0217 -13.0198 -13.0191 -13.0177 -7.3719 -7.3589 -7.3445 -7.3333 -6.5525 -6.5175 -6.4971 -6.4927 -6.4788 -6.4757 0.4508 0.4667 1.9935 2.0423 4.5601 4.6011 5.9829 5.9861 8.6556 8.6611 11.1884 11.2449 12.6600 12.6699 13.0627 13.0949 k = 0.6164-0.0473 0.3942 ( 8847 PWs) bands (ev): -39.5006 -39.5006 -14.0583 -14.0582 -14.0573 -14.0562 -13.0322 -13.0308 -13.0217 -13.0197 -13.0191 -13.0176 -7.3720 -7.3589 -7.3444 -7.3333 -6.5525 -6.5179 -6.4964 -6.4925 -6.4790 -6.4756 0.4861 0.5032 1.9571 2.0066 4.5592 4.5998 5.9486 5.9520 8.6383 8.6442 11.0686 11.1212 12.7635 12.7772 13.1921 13.2254 k = 0.6207-0.0597 0.4012 ( 8851 PWs) bands (ev): -39.5006 -39.5006 -14.0582 -14.0582 -14.0573 -14.0562 -13.0322 -13.0308 -13.0217 -13.0196 -13.0192 -13.0176 -7.3720 -7.3589 -7.3442 -7.3333 -6.5525 -6.5183 -6.4958 -6.4923 -6.4792 -6.4756 0.5157 0.5337 1.9253 1.9752 4.5669 4.6070 5.9171 5.9205 8.6227 8.6292 10.9478 10.9975 12.8567 12.8733 13.3018 13.3366 k = 0.6250-0.0722 0.4082 ( 8868 PWs) bands (ev): -39.5006 -39.5006 -14.0582 -14.0582 -14.0573 -14.0562 -13.0322 -13.0308 -13.0217 -13.0196 -13.0192 -13.0176 -7.3720 -7.3589 -7.3441 -7.3334 -6.5524 -6.5188 -6.4952 -6.4921 -6.4793 -6.4756 0.5377 0.5563 1.9006 1.9504 4.5827 4.6220 5.8883 5.8919 8.6089 8.6161 10.8274 10.8749 12.9381 12.9569 13.3828 13.4190 k = 0.6250-0.0722 0.4082 ( 8868 PWs) bands (ev): -39.5006 -39.5006 -14.0582 -14.0582 -14.0573 -14.0562 -13.0322 -13.0308 -13.0217 -13.0196 -13.0192 -13.0176 -7.3720 -7.3589 -7.3441 -7.3334 -6.5524 -6.5188 -6.4952 -6.4921 -6.4793 -6.4756 0.5377 0.5563 1.9006 1.9504 4.5827 4.6220 5.8883 5.8919 8.6089 8.6161 10.8274 10.8749 12.9381 12.9569 13.3828 13.4190 k = 0.6176-0.0679 0.4203 ( 8858 PWs) bands (ev): -39.5006 -39.5006 -14.0582 -14.0582 -14.0573 -14.0562 -13.0322 -13.0308 -13.0217 -13.0196 -13.0192 -13.0176 -7.3720 -7.3589 -7.3441 -7.3334 -6.5524 -6.5187 -6.4952 -6.4921 -6.4793 -6.4756 0.5386 0.5573 1.9001 1.9500 4.5836 4.6232 5.8802 5.8836 8.6215 8.6290 10.8281 10.8758 12.9034 12.9316 13.3820 13.4457 k = 0.6103-0.0637 0.4323 ( 8851 PWs) bands (ev): -39.5006 -39.5006 -14.0583 -14.0581 -14.0573 -14.0562 -13.0323 -13.0308 -13.0217 -13.0196 -13.0192 -13.0176 -7.3720 -7.3589 -7.3440 -7.3334 -6.5525 -6.5185 -6.4953 -6.4921 -6.4794 -6.4756 0.5414 0.5603 1.8985 1.9487 4.5865 4.6266 5.8564 5.8593 8.6587 8.6672 10.8302 10.8786 12.8220 12.8593 13.3827 13.4856 k = 0.6029-0.0594 0.4443 ( 8848 PWs) bands (ev): -39.5006 -39.5006 -14.0583 -14.0581 -14.0573 -14.0562 -13.0323 -13.0308 -13.0217 -13.0195 -13.0191 -13.0176 -7.3722 -7.3589 -7.3439 -7.3334 -6.5527 -6.5181 -6.4955 -6.4921 -6.4794 -6.4756 0.5461 0.5653 1.8958 1.9464 4.5913 4.6322 5.8183 5.8207 8.7190 8.7291 10.8336 10.8832 12.7180 12.7587 13.3625 13.4940 k = 0.5956-0.0552 0.4563 ( 8852 PWs) bands (ev): -39.5006 -39.5006 -14.0583 -14.0581 -14.0573 -14.0561 -13.0323 -13.0308 -13.0217 -13.0195 -13.0191 -13.0176 -7.3723 -7.3589 -7.3436 -7.3334 -6.5530 -6.5176 -6.4957 -6.4921 -6.4794 -6.4756 0.5525 0.5721 1.8921 1.9433 4.5979 4.6402 5.7679 5.7704 8.8001 8.8123 10.8383 10.8898 12.6029 12.6444 13.3068 13.4472 k = 0.5882-0.0509 0.4683 ( 8848 PWs) bands (ev): -39.5006 -39.5006 -14.0583 -14.0580 -14.0573 -14.0561 -13.0323 -13.0308 -13.0217 -13.0195 -13.0191 -13.0177 -7.3725 -7.3590 -7.3434 -7.3334 -6.5533 -6.5170 -6.4960 -6.4921 -6.4794 -6.4756 0.5606 0.5807 1.8872 1.9393 4.6063 4.6503 5.7074 5.7112 8.8993 8.9141 10.8442 10.8982 12.4829 12.5239 13.2189 13.3532 k = 0.5809-0.0467 0.4803 ( 8856 PWs) bands (ev): -39.5006 -39.5006 -14.0584 -14.0580 -14.0573 -14.0561 -13.0323 -13.0307 -13.0217 -13.0195 -13.0191 -13.0177 -7.3727 -7.3590 -7.3431 -7.3334 -6.5536 -6.5163 -6.4964 -6.4920 -6.4794 -6.4755 0.5703 0.5910 1.8812 1.9343 4.6164 4.6627 5.6397 5.6458 9.0138 9.0318 10.8512 10.9087 12.3612 12.4010 13.1089 13.2319 k = 0.5735-0.0425 0.4923 ( 8856 PWs) bands (ev): -39.5006 -39.5006 -14.0584 -14.0580 -14.0573 -14.0561 -13.0323 -13.0307 -13.0217 -13.0195 -13.0190 -13.0177 -7.3729 -7.3590 -7.3428 -7.3334 -6.5540 -6.5156 -6.4968 -6.4920 -6.4794 -6.4755 0.5814 0.6028 1.8741 1.9283 4.6281 4.6773 5.5673 5.5764 9.1407 9.1626 10.8591 10.9212 12.2399 12.2782 12.9858 13.0970 k = 0.5662-0.0382 0.5043 ( 8860 PWs) bands (ev): -39.5006 -39.5006 -14.0584 -14.0580 -14.0573 -14.0561 -13.0323 -13.0307 -13.0217 -13.0194 -13.0190 -13.0178 -7.3731 -7.3590 -7.3425 -7.3334 -6.5544 -6.5147 -6.4973 -6.4920 -6.4794 -6.4755 0.5937 0.6159 1.8660 1.9215 4.6411 4.6940 5.4926 5.5054 9.2772 9.3040 10.8679 10.9361 12.1206 12.1572 12.8555 12.9561 k = 0.5588-0.0340 0.5163 ( 8854 PWs) bands (ev): -39.5006 -39.5006 -14.0584 -14.0579 -14.0573 -14.0561 -13.0324 -13.0306 -13.0218 -13.0194 -13.0190 -13.0178 -7.3733 -7.3590 -7.3422 -7.3334 -6.5547 -6.5138 -6.4978 -6.4920 -6.4794 -6.4755 0.6069 0.6300 1.8568 1.9138 4.6553 4.7128 5.4174 5.4349 9.4203 9.4532 10.8773 10.9535 12.0043 12.0394 12.7223 12.8130 k = 0.5515-0.0297 0.5283 ( 8849 PWs) bands (ev): -39.5006 -39.5006 -14.0584 -14.0579 -14.0573 -14.0560 -13.0324 -13.0306 -13.0218 -13.0194 -13.0189 -13.0179 -7.3736 -7.3590 -7.3419 -7.3334 -6.5551 -6.5129 -6.4984 -6.4920 -6.4794 -6.4754 0.6207 0.6449 1.8469 1.9053 4.6703 4.7337 5.3435 5.3668 9.5670 9.6076 10.8874 10.9741 11.8922 11.9265 12.5889 12.6703 k = 0.5441-0.0255 0.5403 ( 8847 PWs) bands (ev): -39.5006 -39.5006 -14.0585 -14.0579 -14.0574 -14.0560 -13.0324 -13.0306 -13.0218 -13.0194 -13.0189 -13.0179 -7.3738 -7.3590 -7.3416 -7.3334 -6.5554 -6.5120 -6.4990 -6.4919 -6.4794 -6.4754 0.6347 0.6600 1.8363 1.8963 4.6856 4.7565 5.2722 5.3029 9.7134 9.7640 10.8980 10.9989 11.7855 11.8201 12.4577 12.5298 k = 0.5368-0.0212 0.5523 ( 8849 PWs) bands (ev): -39.5006 -39.5006 -14.0585 -14.0579 -14.0574 -14.0560 -13.0324 -13.0306 -13.0218 -13.0193 -13.0188 -13.0180 -7.3739 -7.3590 -7.3414 -7.3334 -6.5557 -6.5111 -6.4996 -6.4919 -6.4794 -6.4754 0.6485 0.6749 1.8255 1.8870 4.7007 4.7812 5.2047 5.2449 9.8548 9.9179 10.9099 11.0293 11.6852 11.7224 12.3309 12.3934 k = 0.5294-0.0170 0.5643 ( 8845 PWs) bands (ev): -39.5006 -39.5006 -14.0585 -14.0579 -14.0574 -14.0560 -13.0324 -13.0305 -13.0218 -13.0193 -13.0188 -13.0180 -7.3741 -7.3590 -7.3412 -7.3334 -6.5559 -6.5103 -6.5002 -6.4919 -6.4794 -6.4754 0.6615 0.6889 1.8149 1.8779 4.7147 4.8074 5.1423 5.1946 9.9848 10.0635 10.9243 11.0676 11.5934 11.6352 12.2111 12.2633 k = 0.5221-0.0127 0.5764 ( 8841 PWs) bands (ev): -39.5006 -39.5006 -14.0585 -14.0579 -14.0574 -14.0560 -13.0324 -13.0305 -13.0218 -13.0193 -13.0187 -13.0180 -7.3742 -7.3591 -7.3410 -7.3333 -6.5561 -6.5095 -6.5008 -6.4919 -6.4794 -6.4754 0.6730 0.7014 1.8052 1.8695 4.7266 4.8349 5.0859 5.1536 10.0956 10.1917 10.9440 11.1163 11.5126 11.5603 12.1023 12.1429 k = 0.5147-0.0085 0.5884 ( 8840 PWs) bands (ev): -39.5006 -39.5006 -14.0585 -14.0578 -14.0574 -14.0560 -13.0324 -13.0305 -13.0218 -13.0193 -13.0187 -13.0181 -7.3743 -7.3591 -7.3409 -7.3333 -6.5563 -6.5088 -6.5013 -6.4919 -6.4794 -6.4753 0.6823 0.7115 1.7970 1.8624 4.7355 4.8626 5.0371 5.1236 10.1791 10.2910 10.9709 11.1754 11.4472 11.4983 12.0105 12.0381 k = 0.5074-0.0042 0.6004 ( 8840 PWs) bands (ev): -39.5006 -39.5006 -14.0585 -14.0578 -14.0574 -14.0560 -13.0324 -13.0305 -13.0218 -13.0193 -13.0186 -13.0181 -7.3744 -7.3591 -7.3408 -7.3333 -6.5564 -6.5084 -6.5016 -6.4919 -6.4794 -6.4753 0.6885 0.7183 1.7914 1.8575 4.7406 4.8875 4.9994 5.1056 10.2292 10.3513 11.0008 11.2359 11.4046 11.4506 11.9455 11.9600 k = 0.5000 0.0000 0.6124 ( 8792 PWs) bands (ev): -39.5006 -39.5006 -14.0585 -14.0578 -14.0574 -14.0559 -13.0324 -13.0305 -13.0218 -13.0193 -13.0186 -13.0181 -7.3744 -7.3591 -7.3408 -7.3333 -6.5564 -6.5082 -6.5018 -6.4919 -6.4794 -6.4753 0.6908 0.7208 1.7893 1.8556 4.7420 4.8994 4.9832 5.0998 10.2451 10.3702 11.0157 11.2659 11.3922 11.4289 11.9212 11.9278 k = 0.5000 0.0000 0.6124 ( 8792 PWs) bands (ev): -39.5006 -39.5006 -14.0585 -14.0578 -14.0574 -14.0559 -13.0324 -13.0305 -13.0218 -13.0193 -13.0186 -13.0181 -7.3744 -7.3591 -7.3408 -7.3333 -6.5564 -6.5082 -6.5018 -6.4919 -6.4794 -6.4753 0.6908 0.7208 1.7893 1.8556 4.7420 4.8994 4.9832 5.0998 10.2451 10.3702 11.0157 11.2659 11.3922 11.4289 11.9212 11.9278 k = 0.5000 0.0085 0.6004 ( 8840 PWs) bands (ev): -39.5006 -39.5006 -14.0585 -14.0578 -14.0574 -14.0560 -13.0324 -13.0305 -13.0218 -13.0193 -13.0186 -13.0181 -7.3744 -7.3591 -7.3408 -7.3333 -6.5564 -6.5083 -6.5018 -6.4919 -6.4793 -6.4753 0.6861 0.7158 1.7942 1.8602 4.7373 4.8780 5.0095 5.1094 10.2386 10.3616 11.0114 11.2522 11.3880 11.4517 11.9298 11.9426 k = 0.5000 0.0170 0.5884 ( 8840 PWs) bands (ev): -39.5006 -39.5006 -14.0585 -14.0579 -14.0574 -14.0560 -13.0324 -13.0305 -13.0218 -13.0193 -13.0186 -13.0181 -7.3743 -7.3591 -7.3409 -7.3333 -6.5563 -6.5084 -6.5018 -6.4919 -6.4793 -6.4753 0.6724 0.7010 1.8087 1.8736 4.7247 4.8417 5.0602 5.1364 10.2194 10.3368 10.9975 11.2143 11.4002 11.4947 11.9593 11.9802 k = 0.5000 0.0255 0.5764 ( 8844 PWs) bands (ev): -39.5006 -39.5006 -14.0585 -14.0579 -14.0574 -14.0560 -13.0324 -13.0305 -13.0218 -13.0194 -13.0186 -13.0181 -7.3742 -7.3591 -7.3411 -7.3333 -6.5562 -6.5085 -6.5019 -6.4920 -6.4793 -6.4754 0.6504 0.6774 1.8317 1.8950 4.7081 4.8071 5.1191 5.1772 10.1892 10.2986 10.9727 11.1615 11.4345 11.5470 12.0079 12.0347 k = 0.5000 0.0340 0.5643 ( 8840 PWs) bands (ev): -39.5006 -39.5006 -14.0585 -14.0579 -14.0574 -14.0560 -13.0324 -13.0305 -13.0218 -13.0194 -13.0186 -13.0181 -7.3741 -7.3591 -7.3413 -7.3333 -6.5560 -6.5088 -6.5019 -6.4921 -6.4792 -6.4754 0.6214 0.6464 1.8615 1.9229 4.6911 4.7774 5.1829 5.2282 10.1498 10.2506 10.9374 11.1015 11.4860 11.6082 12.0711 12.1019 k = 0.5000 0.0425 0.5523 ( 8838 PWs) bands (ev): -39.5006 -39.5006 -14.0585 -14.0579 -14.0573 -14.0560 -13.0324 -13.0305 -13.0218 -13.0195 -13.0186 -13.0181 -7.3740 -7.3591 -7.3415 -7.3333 -6.5558 -6.5090 -6.5020 -6.4922 -6.4791 -6.4754 0.5865 0.6094 1.8967 1.9560 4.6767 4.7539 5.2506 5.2867 10.1033 10.1955 10.8938 11.0385 11.5506 11.6779 12.1447 12.1785 k = 0.5000 0.0509 0.5403 ( 8842 PWs) bands (ev): -39.5006 -39.5006 -14.0585 -14.0580 -14.0573 -14.0560 -13.0324 -13.0306 -13.0218 -13.0196 -13.0185 -13.0181 -7.3738 -7.3591 -7.3418 -7.3334 -6.5555 -6.5094 -6.5021 -6.4923 -6.4790 -6.4755 0.5470 0.5679 1.9353 1.9924 4.6668 4.7374 5.3216 5.3510 10.0515 10.1359 10.8445 10.9744 11.6246 11.7555 12.2253 12.2620 k = 0.5000 0.0594 0.5283 ( 8840 PWs) bands (ev): -39.5006 -39.5006 -14.0585 -14.0580 -14.0573 -14.0560 -13.0324 -13.0306 -13.0218 -13.0197 -13.0185 -13.0181 -7.3735 -7.3590 -7.3421 -7.3335 -6.5552 -6.5098 -6.5022 -6.4925 -6.4789 -6.4755 0.5042 0.5230 1.9759 2.0308 4.6630 4.7285 5.3955 5.4198 9.9959 10.0735 10.7918 10.9104 11.7052 11.8398 12.3102 12.3504 k = 0.5000 0.0679 0.5163 ( 8842 PWs) bands (ev): -39.5006 -39.5006 -14.0585 -14.0580 -14.0573 -14.0561 -13.0324 -13.0306 -13.0218 -13.0198 -13.0185 -13.0182 -7.3733 -7.3590 -7.3424 -7.3336 -6.5549 -6.5103 -6.5023 -6.4927 -6.4787 -6.4756 0.4590 0.4759 2.0170 2.0698 4.6662 4.7277 5.4719 5.4923 9.9379 10.0093 10.7374 10.8475 11.7896 11.9294 12.3970 12.4419 k = 0.5000 0.0764 0.5043 ( 8840 PWs) bands (ev): -39.5006 -39.5006 -14.0585 -14.0581 -14.0573 -14.0561 -13.0324 -13.0307 -13.0218 -13.0199 -13.0185 -13.0182 -7.3730 -7.3590 -7.3428 -7.3338 -6.5545 -6.5108 -6.5024 -6.4929 -6.4786 -6.4756 0.4123 0.4275 2.0575 2.1081 4.6775 4.7357 5.5506 5.5678 9.8782 9.9444 10.6824 10.7861 11.8753 12.0229 12.4830 12.5349 k = 0.5000 0.0849 0.4923 ( 8852 PWs) bands (ev): -39.5006 -39.5006 -14.0585 -14.0581 -14.0573 -14.0561 -13.0324 -13.0307 -13.0218 -13.0200 -13.0185 -13.0182 -7.3726 -7.3590 -7.3432 -7.3340 -6.5540 -6.5113 -6.5025 -6.4931 -6.4784 -6.4757 0.3648 0.3785 2.0963 2.1447 4.6974 4.7528 5.6311 5.6457 9.8176 9.8791 10.6280 10.7265 11.9591 12.1183 12.5648 12.6272 k = 0.5000 0.0934 0.4803 ( 8850 PWs) bands (ev): -39.5006 -39.5006 -14.0585 -14.0581 -14.0573 -14.0562 -13.0323 -13.0307 -13.0217 -13.0201 -13.0185 -13.0182 -7.3722 -7.3589 -7.3436 -7.3342 -6.5536 -6.5119 -6.5027 -6.4934 -6.4782 -6.4757 0.3171 0.3294 2.1325 2.1788 4.7265 4.7793 5.7131 5.7256 9.7566 9.8139 10.5746 10.6692 12.0366 12.2120 12.6374 12.7160 k = 0.5000 0.1019 0.4683 ( 8846 PWs) bands (ev): -39.5006 -39.5006 -14.0585 -14.0582 -14.0573 -14.0562 -13.0323 -13.0308 -13.0217 -13.0202 -13.0185 -13.0182 -7.3718 -7.3589 -7.3440 -7.3345 -6.5530 -6.5125 -6.5028 -6.4937 -6.4781 -6.4758 0.2697 0.2807 2.1657 2.2098 4.7651 4.8155 5.7965 5.8072 9.6954 9.7490 10.5228 10.6142 12.1006 12.2969 12.6948 12.7977 k = 0.5000 0.1104 0.4563 ( 8852 PWs) bands (ev): -39.5006 -39.5006 -14.0585 -14.0582 -14.0573 -14.0562 -13.0323 -13.0308 -13.0217 -13.0203 -13.0185 -13.0183 -7.3714 -7.3588 -7.3444 -7.3349 -6.5525 -6.5132 -6.5030 -6.4940 -6.4779 -6.4758 0.2230 0.2328 2.1954 2.2371 4.8134 4.8616 5.8807 5.8898 9.6343 9.6845 10.4730 10.5618 12.1402 12.3562 12.7361 12.8689 k = 0.5000 0.1189 0.4443 ( 8856 PWs) bands (ev): -39.5006 -39.5006 -14.0585 -14.0583 -14.0573 -14.0563 -13.0323 -13.0309 -13.0217 -13.0204 -13.0185 -13.0183 -7.3709 -7.3588 -7.3449 -7.3353 -6.5518 -6.5139 -6.5031 -6.4944 -6.4777 -6.4759 0.1773 0.1860 2.2213 2.2607 4.8714 4.9173 5.9656 5.9733 9.5733 9.6203 10.4255 10.5120 12.1414 12.3583 12.7803 12.9303 k = 0.5000 0.1274 0.4323 ( 8860 PWs) bands (ev): -39.5007 -39.5006 -14.0585 -14.0583 -14.0573 -14.0563 -13.0323 -13.0309 -13.0217 -13.0205 -13.0185 -13.0183 -7.3704 -7.3587 -7.3453 -7.3358 -6.5512 -6.5146 -6.5033 -6.4948 -6.4776 -6.4759 0.1328 0.1406 2.2434 2.2804 4.9389 4.9827 6.0508 6.0572 9.5124 9.5563 10.3805 10.4651 12.0933 12.2849 12.8520 12.9916 k = 0.5000 0.1358 0.4203 ( 8860 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0583 -14.0573 -14.0564 -13.0322 -13.0310 -13.0217 -13.0206 -13.0185 -13.0183 -7.3698 -7.3586 -7.3458 -7.3363 -6.5505 -6.5153 -6.5034 -6.4952 -6.4774 -6.4760 0.0898 0.0968 2.2617 2.2964 5.0156 5.0573 6.1358 6.1412 9.4514 9.4923 10.3382 10.4210 11.9975 12.1552 12.9492 13.0642 k = 0.5000 0.1443 0.4082 ( 8860 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0583 -14.0573 -14.0564 -13.0322 -13.0310 -13.0217 -13.0207 -13.0186 -13.0184 -7.3692 -7.3585 -7.3462 -7.3369 -6.5498 -6.5161 -6.5036 -6.4956 -6.4772 -6.4760 0.0485 0.0547 2.2765 2.3088 5.1012 5.1408 6.2205 6.2248 9.3901 9.4280 10.2988 10.3798 11.8660 11.9955 13.0606 13.1526 k = 0.5000 0.1528 0.3962 ( 8852 PWs) bands (ev): -39.5007 -39.5006 -14.0585 -14.0584 -14.0573 -14.0565 -13.0322 -13.0311 -13.0217 -13.0208 -13.0186 -13.0184 -7.3685 -7.3583 -7.3467 -7.3375 -6.5490 -6.5168 -6.5037 -6.4960 -6.4771 -6.4760 0.0090 0.0145 2.2880 2.3180 5.1950 5.2326 6.3042 6.3076 9.3282 9.3629 10.2624 10.3417 11.7126 11.8217 13.1792 13.2545 k = 0.5000 0.1613 0.3842 ( 8862 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0584 -14.0573 -14.0565 -13.0322 -13.0311 -13.0217 -13.0209 -13.0186 -13.0184 -7.3679 -7.3582 -7.3472 -7.3382 -6.5482 -6.5176 -6.5038 -6.4965 -6.4769 -6.4760 -0.0286 -0.0237 2.2966 2.3242 5.2966 5.3323 6.3868 6.3893 9.2650 9.2964 10.2291 10.3065 11.5479 11.6426 13.2998 13.3658 k = 0.5000 0.1698 0.3722 ( 8860 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0584 -14.0573 -14.0566 -13.0322 -13.0312 -13.0217 -13.0209 -13.0186 -13.0185 -7.3671 -7.3580 -7.3476 -7.3390 -6.5473 -6.5185 -6.5040 -6.4970 -6.4768 -6.4760 -0.0641 -0.0597 2.3026 2.3280 5.4053 5.4392 6.4676 6.4693 9.1999 9.2280 10.1990 10.2744 11.3791 11.4635 13.4148 13.4798 k = 0.5000 0.1783 0.3602 ( 8866 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0584 -14.0573 -14.0566 -13.0321 -13.0312 -13.0217 -13.0210 -13.0186 -13.0185 -7.3664 -7.3578 -7.3481 -7.3398 -6.5465 -6.5193 -6.5041 -6.4975 -6.4766 -6.4760 -0.0974 -0.0936 2.3065 2.3297 5.5205 5.5526 6.5462 6.5474 9.1322 9.1568 10.1721 10.2453 11.2112 11.2881 13.4983 13.5705 k = 0.5000 0.1868 0.3482 ( 8856 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0573 -14.0567 -13.0321 -13.0313 -13.0217 -13.0211 -13.0186 -13.0186 -7.3656 -7.3576 -7.3486 -7.3406 -6.5455 -6.5202 -6.5042 -6.4980 -6.4765 -6.4760 -0.1285 -0.1251 2.3086 2.3296 5.6414 5.6719 6.6221 6.6231 9.0609 9.0819 10.1485 10.2191 11.0478 11.1189 13.4975 13.5530 k = 0.5000 0.1953 0.3362 ( 8852 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0573 -14.0567 -13.0321 -13.0313 -13.0216 -13.0212 -13.0186 -13.0186 -7.3647 -7.3574 -7.3490 -7.3415 -6.5446 -6.5211 -6.5043 -6.4984 -6.4764 -6.4760 -0.1573 -0.1544 2.3093 2.3282 5.7673 5.7962 6.6948 6.6962 8.9849 9.0023 10.1281 10.1958 10.8920 10.9583 13.4315 13.4685 k = 0.5000 0.2038 0.3242 ( 8856 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0573 -14.0568 -13.0321 -13.0314 -13.0216 -13.0212 -13.0187 -13.0186 -7.3638 -7.3572 -7.3495 -7.3425 -6.5436 -6.5220 -6.5043 -6.4989 -6.4762 -6.4760 -0.1838 -0.1812 2.3089 2.3258 5.8974 5.9249 6.7641 6.7660 8.9032 8.9171 10.1109 10.1752 10.7463 10.8083 13.3443 13.3706 k = 0.5000 0.2123 0.3122 ( 8846 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0573 -14.0568 -13.0321 -13.0314 -13.0216 -13.0213 -13.0187 -13.0186 -7.3629 -7.3569 -7.3499 -7.3435 -6.5426 -6.5229 -6.5043 -6.4994 -6.4761 -6.4759 -0.2078 -0.2056 2.3077 2.3227 6.0307 6.0568 6.8296 6.8322 8.8148 8.8254 10.0967 10.1570 10.6129 10.6707 13.2522 13.2715 k = 0.5000 0.2208 0.3002 ( 8848 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0573 -14.0569 -13.0320 -13.0315 -13.0216 -13.0213 -13.0187 -13.0187 -7.3620 -7.3566 -7.3504 -7.3445 -6.5416 -6.5239 -6.5043 -6.4999 -6.4760 -6.4759 -0.2295 -0.2275 2.3060 2.3192 6.1660 6.1908 6.8913 6.8945 8.7191 8.7270 10.0853 10.1410 10.4936 10.5470 13.1617 13.1762 k = 0.5000 0.2292 0.2882 ( 8844 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0573 -14.0570 -13.0320 -13.0315 -13.0216 -13.0214 -13.0187 -13.0187 -7.3610 -7.3563 -7.3508 -7.3455 -6.5405 -6.5249 -6.5043 -6.5004 -6.4760 -6.4759 -0.2486 -0.2470 2.3040 2.3154 6.3018 6.3254 6.9491 6.9529 8.6158 8.6218 10.0762 10.1266 10.3900 10.4383 13.0763 13.0873 k = 0.5000 0.2377 0.2762 ( 8842 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0573 -14.0570 -13.0320 -13.0315 -13.0216 -13.0214 -13.0187 -13.0187 -7.3600 -7.3560 -7.3513 -7.3466 -6.5394 -6.5260 -6.5042 -6.5008 -6.4759 -6.4758 -0.2652 -0.2639 2.3020 2.3117 6.4360 6.4582 7.0036 7.0079 8.5055 8.5106 10.0691 10.1129 10.3033 10.3454 12.9985 13.0068 k = 0.5000 0.2462 0.2642 ( 8846 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0573 -14.0570 -13.0319 -13.0316 -13.0216 -13.0215 -13.0187 -13.0187 -7.3590 -7.3557 -7.3517 -7.3477 -6.5383 -6.5270 -6.5041 -6.5013 -6.4758 -6.4758 -0.2793 -0.2782 2.3002 2.3081 6.5653 6.5859 7.0558 7.0604 8.3899 8.3951 10.0631 10.0987 10.2346 10.2688 12.9299 12.9362 k = 0.5000 0.2547 0.2522 ( 8844 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0573 -14.0571 -13.0319 -13.0316 -13.0216 -13.0215 -13.0187 -13.0187 -7.3579 -7.3554 -7.3522 -7.3488 -6.5372 -6.5281 -6.5040 -6.5017 -6.4758 -6.4758 -0.2908 -0.2900 2.2986 2.3049 6.6846 6.7031 7.1081 7.1125 8.2723 8.2777 10.0570 10.0823 10.1851 10.2091 12.8718 12.8766 k = 0.5000 0.2632 0.2401 ( 8846 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0573 -14.0571 -13.0319 -13.0317 -13.0216 -13.0215 -13.0187 -13.0187 -7.3568 -7.3550 -7.3526 -7.3500 -6.5361 -6.5292 -6.5038 -6.5021 -6.4758 -6.4757 -0.2998 -0.2992 2.2974 2.3021 6.7867 6.8019 7.1633 7.1667 8.1578 8.1633 10.0496 10.0636 10.1539 10.1666 12.8256 12.8290 k = 0.5000 0.2717 0.2281 ( 8838 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0573 -14.0572 -13.0319 -13.0317 -13.0216 -13.0215 -13.0188 -13.0188 -7.3557 -7.3547 -7.3530 -7.3511 -6.5349 -6.5304 -6.5036 -6.5024 -6.4757 -6.4757 -0.3062 -0.3058 2.2967 2.2999 6.8635 6.8741 7.2213 7.2230 8.0553 8.0600 10.0406 10.0462 10.1366 10.1407 12.7921 12.7943 k = 0.5000 0.2802 0.2161 ( 8838 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0573 -14.0572 -13.0318 -13.0317 -13.0216 -13.0216 -13.0188 -13.0188 -7.3547 -7.3543 -7.3533 -7.3522 -6.5338 -6.5315 -6.5034 -6.5028 -6.4757 -6.4757 -0.3100 -0.3098 2.2966 2.2982 6.9103 6.9156 7.2715 7.2718 7.9796 7.9826 10.0326 10.0344 10.1278 10.1283 12.7719 12.7730 k = 0.5000 0.2887 0.2041 ( 8850 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0572 -14.0572 -13.0318 -13.0318 -13.0216 -13.0216 -13.0188 -13.0188 -7.3541 -7.3541 -7.3532 -7.3532 -6.5326 -6.5326 -6.5031 -6.5031 -6.4757 -6.4757 -0.3112 -0.3112 2.2971 2.2971 6.9273 6.9273 7.2925 7.2925 7.9516 7.9516 10.0298 10.0298 10.1249 10.1249 12.7655 12.7655 k = 0.5000 0.2887 0.2041 ( 8850 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0572 -14.0572 -13.0318 -13.0318 -13.0216 -13.0216 -13.0188 -13.0188 -7.3541 -7.3541 -7.3532 -7.3532 -6.5326 -6.5326 -6.5031 -6.5031 -6.4757 -6.4757 -0.3112 -0.3112 2.2971 2.2971 6.9273 6.9273 7.2925 7.2925 7.9516 7.9516 10.0298 10.0298 10.1249 10.1249 12.7655 12.7655 k = 0.4957 0.2862 0.2182 ( 8840 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0573 -14.0572 -13.0318 -13.0317 -13.0216 -13.0216 -13.0188 -13.0188 -7.3547 -7.3543 -7.3533 -7.3522 -6.5338 -6.5315 -6.5034 -6.5028 -6.4757 -6.4757 -0.3099 -0.3097 2.2966 2.2982 6.9098 6.9152 7.2709 7.2712 7.9805 7.9834 10.0327 10.0345 10.1281 10.1282 12.7721 12.7732 k = 0.4914 0.2837 0.2323 ( 8840 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0573 -14.0572 -13.0319 -13.0317 -13.0216 -13.0215 -13.0188 -13.0188 -7.3558 -7.3547 -7.3530 -7.3511 -6.5350 -6.5303 -6.5036 -6.5024 -6.4757 -6.4757 -0.3060 -0.3056 2.2967 2.2999 6.8616 6.8723 7.2196 7.2214 8.0581 8.0629 10.0419 10.0457 10.1389 10.1393 12.7929 12.7952 k = 0.4871 0.2812 0.2464 ( 8854 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0573 -14.0571 -13.0319 -13.0317 -13.0216 -13.0215 -13.0188 -13.0187 -7.3569 -7.3550 -7.3526 -7.3499 -6.5361 -6.5292 -6.5038 -6.5021 -6.4758 -6.4757 -0.2994 -0.2988 2.2975 2.3023 6.7823 6.7977 7.1609 7.1645 8.1627 8.1682 10.0547 10.0609 10.1606 10.1616 12.8275 12.8309 k = 0.4828 0.2787 0.2604 ( 8846 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0573 -14.0571 -13.0319 -13.0316 -13.0216 -13.0215 -13.0187 -13.0187 -7.3580 -7.3554 -7.3521 -7.3488 -6.5373 -6.5281 -6.5040 -6.5017 -6.4758 -6.4758 -0.2902 -0.2893 2.2987 2.3051 6.6771 6.6957 7.1059 7.1105 8.2785 8.2839 10.0694 10.0780 10.1963 10.1978 12.8751 12.8798 k = 0.4784 0.2762 0.2745 ( 8846 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0573 -14.0570 -13.0319 -13.0316 -13.0216 -13.0215 -13.0187 -13.0187 -7.3590 -7.3557 -7.3517 -7.3476 -6.5384 -6.5270 -6.5041 -6.5012 -6.4758 -6.4758 -0.2783 -0.2772 2.3003 2.3084 6.5542 6.5749 7.0547 7.0596 8.3958 8.4006 10.0872 10.0981 10.2465 10.2483 12.9349 12.9409 k = 0.4741 0.2737 0.2886 ( 8845 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0573 -14.0570 -13.0320 -13.0315 -13.0216 -13.0214 -13.0187 -13.0187 -7.3601 -7.3560 -7.3513 -7.3465 -6.5395 -6.5259 -6.5042 -6.5008 -6.4759 -6.4758 -0.2638 -0.2624 2.3022 2.3120 6.4210 6.4431 7.0047 7.0096 8.5082 8.5120 10.1114 10.1247 10.3097 10.3116 13.0056 13.0131 k = 0.4698 0.2713 0.3027 ( 8843 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0573 -14.0569 -13.0320 -13.0315 -13.0216 -13.0214 -13.0187 -13.0187 -7.3611 -7.3563 -7.3508 -7.3454 -6.5406 -6.5249 -6.5043 -6.5003 -6.4760 -6.4759 -0.2467 -0.2450 2.3042 2.3158 6.2824 6.3058 6.9541 6.9587 8.6107 8.6133 10.1459 10.1616 10.3841 10.3862 13.0854 13.0948 k = 0.4655 0.2688 0.3167 ( 8847 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0573 -14.0569 -13.0320 -13.0315 -13.0216 -13.0213 -13.0187 -13.0186 -7.3621 -7.3566 -7.3504 -7.3443 -6.5417 -6.5238 -6.5043 -6.4999 -6.4760 -6.4759 -0.2269 -0.2250 2.3062 2.3196 6.1419 6.1663 6.9020 6.9063 8.6995 8.7009 10.1941 10.2123 10.4684 10.4707 13.1719 13.1836 k = 0.4612 0.2663 0.3308 ( 8844 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0573 -14.0568 -13.0321 -13.0314 -13.0216 -13.0213 -13.0187 -13.0186 -7.3630 -7.3569 -7.3500 -7.3433 -6.5427 -6.5229 -6.5043 -6.4994 -6.4761 -6.4760 -0.2047 -0.2024 2.3078 2.3231 6.0014 6.0270 6.8483 6.8523 8.7720 8.7722 10.2584 10.2792 10.5614 10.5639 13.2605 13.2755 k = 0.4569 0.2638 0.3449 ( 8842 PWs) bands (ev): -39.5007 -39.5006 -14.0585 -14.0585 -14.0573 -14.0568 -13.0321 -13.0314 -13.0216 -13.0212 -13.0187 -13.0186 -7.3640 -7.3572 -7.3495 -7.3423 -6.5437 -6.5220 -6.5042 -6.4989 -6.4762 -6.4760 -0.1799 -0.1773 2.3089 2.3261 5.8626 5.8893 6.7931 6.7968 8.8260 8.8270 10.3400 10.3635 10.6620 10.6650 13.3417 13.3617 k = 0.4526 0.2613 0.3590 ( 8843 PWs) bands (ev): -39.5007 -39.5006 -14.0585 -14.0585 -14.0573 -14.0567 -13.0321 -13.0313 -13.0216 -13.0211 -13.0187 -13.0185 -7.3648 -7.3574 -7.3491 -7.3413 -6.5447 -6.5211 -6.5041 -6.4984 -6.4763 -6.4760 -0.1527 -0.1497 2.3091 2.3283 5.7266 5.7545 6.7368 6.7403 8.8630 8.8648 10.4383 10.4645 10.7695 10.7731 13.3927 13.4198 k = 0.4483 0.2588 0.3731 ( 8848 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0573 -14.0567 -13.0321 -13.0313 -13.0216 -13.0211 -13.0187 -13.0185 -7.3656 -7.3576 -7.3487 -7.3404 -6.5456 -6.5203 -6.5040 -6.4979 -6.4765 -6.4761 -0.1231 -0.1196 2.3080 2.3294 5.5944 5.6235 6.6798 6.6831 8.8850 8.8874 10.5513 10.5805 10.8830 10.8874 13.3774 13.4083 k = 0.4440 0.2563 0.3871 ( 8856 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0573 -14.0566 -13.0321 -13.0312 -13.0217 -13.0210 -13.0187 -13.0184 -7.3664 -7.3578 -7.3483 -7.3395 -6.5465 -6.5196 -6.5038 -6.4974 -6.4766 -6.4761 -0.0911 -0.0872 2.3054 2.3289 5.4670 5.4974 6.6225 6.6257 8.8943 8.8971 10.6763 10.7089 11.0018 11.0073 13.2929 13.3202 k = 0.4397 0.2538 0.4012 ( 8857 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0585 -14.0573 -14.0566 -13.0322 -13.0312 -13.0217 -13.0209 -13.0187 -13.0183 -7.3672 -7.3580 -7.3479 -7.3386 -6.5473 -6.5189 -6.5035 -6.4969 -6.4767 -6.4761 -0.0569 -0.0525 2.3007 2.3265 5.3452 5.3769 6.5652 6.5683 8.8936 8.8966 10.8102 10.8469 11.1252 11.1322 13.1732 13.1943 k = 0.4353 0.2513 0.4153 ( 8855 PWs) bands (ev): -39.5007 -39.5007 -14.0585 -14.0584 -14.0573 -14.0565 -13.0322 -13.0311 -13.0217 -13.0208 -13.0187 -13.0183 -7.3678 -7.3581 -7.3475 -7.3379 -6.5480 -6.5183 -6.5032 -6.4964 -6.4769 -6.4761 -0.0206 -0.0155 2.2936 2.3217 5.2297 5.2628 6.5084 6.5114 8.8852 8.8884 10.9495 10.9914 11.2524 11.2613 13.0412 13.0562 k = 0.4310 0.2489 0.4294 ( 8853 PWs) bands (ev): -39.5007 -39.5006 -14.0585 -14.0584 -14.0573 -14.0565 -13.0322 -13.0311 -13.0217 -13.0208 -13.0188 -13.0182 -7.3685 -7.3583 -7.3471 -7.3371 -6.5487 -6.5178 -6.5029 -6.4960 -6.4770 -6.4761 0.0178 0.0234 2.2837 2.3140 5.1215 5.1559 6.4523 6.4552 8.8712 8.8744 11.0910 11.1395 11.3825 11.3941 12.9079 12.9163 k = 0.4267 0.2464 0.4434 ( 8854 PWs) bands (ev): -39.5007 -39.5006 -14.0584 -14.0584 -14.0573 -14.0564 -13.0322 -13.0310 -13.0217 -13.0207 -13.0188 -13.0182 -7.3690 -7.3584 -7.3468 -7.3365 -6.5494 -6.5174 -6.5024 -6.4956 -6.4772 -6.4761 0.0580 0.0644 2.2704 2.3031 5.0212 5.0569 6.3972 6.4001 8.8531 8.8564 11.2303 11.2875 11.5146 11.5296 12.7799 12.7810 k = 0.4224 0.2439 0.4575 ( 8848 PWs) bands (ev): -39.5006 -39.5006 -14.0584 -14.0584 -14.0573 -14.0564 -13.0322 -13.0310 -13.0217 -13.0206 -13.0188 -13.0181 -7.3696 -7.3585 -7.3465 -7.3359 -6.5500 -6.5171 -6.5020 -6.4951 -6.4773 -6.4760 0.0999 0.1070 2.2534 2.2885 4.9295 4.9666 6.3435 6.3464 8.8323 8.8356 11.3620 11.4304 11.6471 11.6663 12.6564 12.6641 k = 0.4181 0.2414 0.4716 ( 8845 PWs) bands (ev): -39.5006 -39.5006 -14.0584 -14.0584 -14.0573 -14.0563 -13.0322 -13.0310 -13.0217 -13.0205 -13.0188 -13.0180 -7.3700 -7.3586 -7.3461 -7.3353 -6.5505 -6.5169 -6.5015 -6.4947 -6.4775 -6.4760 0.1432 0.1512 2.2326 2.2698 4.8473 4.8855 6.2912 6.2941 8.8098 8.8133 11.4770 11.5589 11.7784 11.8022 12.5526 12.5706 k = 0.4138 0.2389 0.4857 ( 8845 PWs) bands (ev): -39.5006 -39.5006 -14.0584 -14.0584 -14.0573 -14.0563 -13.0322 -13.0309 -13.0217 -13.0204 -13.0189 -13.0180 -7.3705 -7.3587 -7.3458 -7.3348 -6.5510 -6.5167 -6.5009 -6.4944 -6.4777 -6.4760 0.1877 0.1966 2.2076 2.2470 4.7749 4.8141 6.2407 6.2436 8.7864 8.7900 11.5609 11.6552 11.9077 11.9347 12.4872 12.5153 k = 0.4095 0.2364 0.4998 ( 8845 PWs) bands (ev): -39.5006 -39.5006 -14.0584 -14.0583 -14.0573 -14.0563 -13.0322 -13.0309 -13.0217 -13.0203 -13.0189 -13.0179 -7.3708 -7.3587 -7.3456 -7.3344 -6.5514 -6.5167 -6.5003 -6.4940 -6.4778 -6.4759 0.2330 0.2429 2.1786 2.2201 4.7128 4.7529 6.1922 6.1951 8.7628 8.7666 11.5959 11.6935 12.0369 12.0623 12.4822 12.5162 k = 0.4052 0.2339 0.5138 ( 8849 PWs) bands (ev): -39.5006 -39.5006 -14.0584 -14.0583 -14.0573 -14.0562 -13.0322 -13.0309 -13.0217 -13.0202 -13.0189 -13.0179 -7.3712 -7.3588 -7.3453 -7.3341 -6.5518 -6.5167 -6.4997 -6.4937 -6.4780 -6.4758 0.2786 0.2896 2.1458 2.1892 4.6614 4.7021 6.1457 6.1486 8.7394 8.7434 11.5744 11.6642 12.1681 12.1863 12.5435 12.5778 k = 0.4009 0.2314 0.5279 ( 8845 PWs) bands (ev): -39.5006 -39.5006 -14.0583 -14.0583 -14.0573 -14.0562 -13.0322 -13.0309 -13.0217 -13.0201 -13.0190 -13.0178 -7.3714 -7.3588 -7.3451 -7.3338 -6.5520 -6.5168 -6.4991 -6.4934 -6.4782 -6.4758 0.3240 0.3362 2.1099 2.1549 4.6206 4.6617 6.1014 6.1043 8.7167 8.7210 11.5077 11.5864 12.2999 12.3091 12.6512 12.6840 k = 0.3966 0.2289 0.5420 ( 8845 PWs) bands (ev): -39.5006 -39.5006 -14.0583 -14.0583 -14.0573 -14.0562 -13.0322 -13.0308 -13.0217 -13.0200 -13.0190 -13.0177 -7.3716 -7.3589 -7.3449 -7.3336 -6.5522 -6.5170 -6.4984 -6.4932 -6.4784 -6.4757 0.3685 0.3819 2.0717 2.1182 4.5903 4.6316 6.0594 6.0624 8.6950 8.6997 11.4136 11.4827 12.4292 12.4304 12.7827 12.8145 k = 0.3922 0.2265 0.5561 ( 8845 PWs) bands (ev): -39.5006 -39.5006 -14.0583 -14.0582 -14.0573 -14.0562 -13.0322 -13.0308 -13.0217 -13.0199 -13.0190 -13.0177 -7.3718 -7.3589 -7.3447 -7.3334 -6.5524 -6.5172 -6.4978 -6.4929 -6.4786 -6.4757 0.4111 0.4257 2.0323 2.0801 4.5703 4.6115 6.0199 6.0230 8.6746 8.6796 11.3047 11.3666 12.5482 12.5533 12.9232 12.9548 k = 0.3879 0.2240 0.5701 ( 8847 PWs) bands (ev): -39.5006 -39.5006 -14.0583 -14.0582 -14.0573 -14.0562 -13.0322 -13.0308 -13.0217 -13.0198 -13.0191 -13.0177 -7.3719 -7.3589 -7.3445 -7.3333 -6.5525 -6.5175 -6.4971 -6.4927 -6.4788 -6.4757 0.4508 0.4667 1.9935 2.0423 4.5601 4.6011 5.9829 5.9861 8.6556 8.6611 11.1884 11.2449 12.6600 12.6699 13.0627 13.0949 k = 0.3836 0.2215 0.5842 ( 8847 PWs) bands (ev): -39.5006 -39.5006 -14.0583 -14.0582 -14.0573 -14.0562 -13.0322 -13.0308 -13.0217 -13.0197 -13.0191 -13.0176 -7.3720 -7.3589 -7.3444 -7.3333 -6.5525 -6.5179 -6.4964 -6.4925 -6.4790 -6.4756 0.4861 0.5032 1.9571 2.0066 4.5592 4.5998 5.9486 5.9520 8.6383 8.6442 11.0686 11.1212 12.7635 12.7772 13.1921 13.2254 k = 0.3793 0.2190 0.5983 ( 8851 PWs) bands (ev): -39.5006 -39.5006 -14.0582 -14.0582 -14.0573 -14.0562 -13.0322 -13.0308 -13.0217 -13.0196 -13.0192 -13.0176 -7.3720 -7.3589 -7.3442 -7.3333 -6.5525 -6.5183 -6.4958 -6.4923 -6.4792 -6.4756 0.5157 0.5337 1.9253 1.9752 4.5669 4.6070 5.9171 5.9205 8.6227 8.6292 10.9478 10.9975 12.8567 12.8733 13.3018 13.3366 k = 0.3750 0.2165 0.6124 ( 8868 PWs) bands (ev): -39.5006 -39.5006 -14.0582 -14.0582 -14.0573 -14.0562 -13.0322 -13.0308 -13.0217 -13.0196 -13.0192 -13.0176 -7.3720 -7.3589 -7.3441 -7.3334 -6.5524 -6.5188 -6.4952 -6.4921 -6.4793 -6.4756 0.5377 0.5563 1.9006 1.9504 4.5827 4.6220 5.8883 5.8919 8.6089 8.6161 10.8274 10.8749 12.9381 12.9569 13.3828 13.4190 k = 0.6250-0.0722 0.4082 ( 8868 PWs) bands (ev): -39.5006 -39.5006 -14.0582 -14.0582 -14.0573 -14.0562 -13.0322 -13.0308 -13.0217 -13.0196 -13.0192 -13.0176 -7.3720 -7.3589 -7.3441 -7.3334 -6.5524 -6.5188 -6.4952 -6.4921 -6.4793 -6.4756 0.5377 0.5563 1.9006 1.9504 4.5827 4.6220 5.8883 5.8919 8.6089 8.6161 10.8274 10.8749 12.9381 12.9569 13.3828 13.4190 k = 0.6176-0.0849 0.4082 ( 8850 PWs) bands (ev): -39.5006 -39.5006 -14.0582 -14.0581 -14.0573 -14.0562 -13.0322 -13.0308 -13.0216 -13.0196 -13.0191 -13.0176 -7.3718 -7.3589 -7.3440 -7.3336 -6.5521 -6.5196 -6.4941 -6.4919 -6.4797 -6.4757 0.5656 0.5849 1.8681 1.9170 4.6194 4.6575 5.8429 5.8467 8.5875 8.5958 10.6239 10.6685 13.0669 13.0890 13.4939 13.5321 k = 0.6103-0.0976 0.4082 ( 8850 PWs) bands (ev): -39.5006 -39.5006 -14.0581 -14.0581 -14.0573 -14.0562 -13.0322 -13.0309 -13.0216 -13.0196 -13.0191 -13.0176 -7.3717 -7.3590 -7.3438 -7.3339 -6.5518 -6.5206 -6.4930 -6.4916 -6.4800 -6.4758 0.5892 0.6089 1.8395 1.8872 4.6627 4.6994 5.7999 5.8040 8.5667 8.5764 10.4229 10.4653 13.1968 13.2220 13.6060 13.6464 k = 0.6029-0.1104 0.4082 ( 8840 PWs) bands (ev): -39.5006 -39.5006 -14.0581 -14.0581 -14.0573 -14.0562 -13.0322 -13.0309 -13.0216 -13.0196 -13.0190 -13.0175 -7.3714 -7.3590 -7.3437 -7.3342 -6.5514 -6.5215 -6.4920 -6.4913 -6.4804 -6.4759 0.6089 0.6286 1.8149 1.8610 4.7122 4.7475 5.7595 5.7639 8.5468 8.5578 10.2255 10.2664 13.3272 13.3556 13.7187 13.7616 k = 0.5956-0.1231 0.4082 ( 8840 PWs) bands (ev): -39.5006 -39.5006 -14.0581 -14.0581 -14.0573 -14.0563 -13.0322 -13.0309 -13.0216 -13.0197 -13.0189 -13.0175 -7.3712 -7.3591 -7.3435 -7.3346 -6.5509 -6.5226 -6.4910 -6.4910 -6.4808 -6.4760 0.6248 0.6442 1.7938 1.8379 4.7674 4.8013 5.7217 5.7265 8.5276 8.5401 10.0327 10.0725 13.4576 13.4892 13.8315 13.8772 k = 0.5882-0.1358 0.4082 ( 8848 PWs) bands (ev): -39.5006 -39.5006 -14.0580 -14.0580 -14.0573 -14.0563 -13.0322 -13.0310 -13.0216 -13.0198 -13.0188 -13.0175 -7.3708 -7.3593 -7.3433 -7.3350 -6.5504 -6.5236 -6.4906 -6.4900 -6.4812 -6.4762 0.6373 0.6562 1.7759 1.8177 4.8276 4.8600 5.6865 5.6917 8.5091 8.5232 9.8457 9.8847 13.5875 13.6224 13.9440 13.9924 k = 0.5809-0.1486 0.4082 ( 8836 PWs) bands (ev): -39.5006 -39.5006 -14.0580 -14.0580 -14.0573 -14.0564 -13.0321 -13.0310 -13.0215 -13.0198 -13.0187 -13.0175 -7.3704 -7.3595 -7.3432 -7.3355 -6.5497 -6.5248 -6.4903 -6.4890 -6.4817 -6.4763 0.6469 0.6650 1.7610 1.8001 4.8919 4.9230 5.6540 5.6597 8.4912 8.5071 9.6654 9.7040 13.7160 13.7542 14.0555 14.1069 k = 0.5735-0.1613 0.4082 ( 8844 PWs) bands (ev): -39.5006 -39.5006 -14.0580 -14.0579 -14.0573 -14.0564 -13.0321 -13.0311 -13.0215 -13.0199 -13.0186 -13.0175 -7.3700 -7.3597 -7.3430 -7.3359 -6.5490 -6.5259 -6.4900 -6.4880 -6.4821 -6.4765 0.6540 0.6710 1.7488 1.7849 4.9595 4.9892 5.6241 5.6304 8.4738 8.4917 9.4930 9.5315 13.8422 13.8838 14.1656 14.2198 k = 0.5662-0.1741 0.4082 ( 8840 PWs) bands (ev): -39.5006 -39.5006 -14.0580 -14.0579 -14.0573 -14.0565 -13.0321 -13.0311 -13.0214 -13.0200 -13.0185 -13.0175 -7.3695 -7.3599 -7.3428 -7.3364 -6.5483 -6.5271 -6.4897 -6.4871 -6.4825 -6.4768 0.6589 0.6747 1.7388 1.7717 5.0292 5.0575 5.5970 5.6040 8.4567 8.4768 9.3299 9.3686 13.9651 14.0097 14.2737 14.3304 k = 0.5588-0.1868 0.4082 ( 8842 PWs) bands (ev): -39.5006 -39.5006 -14.0579 -14.0579 -14.0573 -14.0565 -13.0321 -13.0312 -13.0214 -13.0201 -13.0184 -13.0175 -7.3690 -7.3603 -7.3426 -7.3369 -6.5474 -6.5284 -6.4893 -6.4862 -6.4829 -6.4770 0.6623 0.6765 1.7308 1.7603 5.0994 5.1266 5.5726 5.5805 8.4396 8.4620 9.1778 9.2169 14.0833 14.1305 14.3790 14.4377 k = 0.5515-0.1995 0.4082 ( 8854 PWs) bands (ev): -39.5006 -39.5006 -14.0579 -14.0578 -14.0573 -14.0566 -13.0320 -13.0312 -13.0213 -13.0202 -13.0183 -13.0175 -7.3685 -7.3606 -7.3424 -7.3373 -6.5465 -6.5296 -6.4890 -6.4854 -6.4833 -6.4773 0.6643 0.6770 1.7245 1.7505 5.1688 5.1948 5.5510 5.5599 8.4222 8.4468 9.0387 9.0781 14.1952 14.2439 14.4810 14.5405 k = 0.5441-0.2123 0.4082 ( 8878 PWs) bands (ev): -39.5007 -39.5007 -14.0579 -14.0578 -14.0573 -14.0567 -13.0320 -13.0313 -13.0213 -13.0203 -13.0182 -13.0176 -7.3679 -7.3610 -7.3421 -7.3378 -6.5455 -6.5309 -6.4886 -6.4847 -6.4836 -6.4776 0.6654 0.6765 1.7198 1.7422 5.2352 5.2605 5.5321 5.5424 8.4038 8.4303 8.9152 8.9546 14.2992 14.3476 14.5787 14.6371 k = 0.5368-0.2250 0.4082 ( 8876 PWs) bands (ev): -39.5007 -39.5006 -14.0579 -14.0578 -14.0573 -14.0567 -13.0319 -13.0314 -13.0212 -13.0204 -13.0181 -13.0176 -7.3673 -7.3614 -7.3419 -7.3383 -6.5445 -6.5322 -6.4883 -6.4845 -6.4835 -6.4780 0.6660 0.6753 1.7163 1.7351 5.2967 5.3214 5.5161 5.5282 8.3841 8.4116 8.8102 8.8486 14.3931 14.4390 14.6706 14.7257 k = 0.5294-0.2377 0.4082 ( 8876 PWs) bands (ev): -39.5007 -39.5006 -14.0579 -14.0578 -14.0572 -14.0568 -13.0319 -13.0314 -13.0212 -13.0205 -13.0181 -13.0176 -7.3667 -7.3619 -7.3416 -7.3388 -6.5434 -6.5335 -6.4879 -6.4848 -6.4829 -6.4784 0.6663 0.6737 1.7140 1.7290 5.3507 5.3754 5.5031 5.5175 8.3633 8.3897 8.7269 8.7622 14.4750 14.5158 14.7548 14.8036 k = 0.5221-0.2505 0.4082 ( 8894 PWs) bands (ev): -39.5007 -39.5007 -14.0578 -14.0578 -14.0572 -14.0569 -13.0318 -13.0315 -13.0211 -13.0206 -13.0180 -13.0177 -7.3660 -7.3624 -7.3413 -7.3392 -6.5422 -6.5348 -6.4875 -6.4852 -6.4822 -6.4788 0.6665 0.6721 1.7128 1.7241 5.3946 5.4195 5.4936 5.5108 8.3423 8.3649 8.6671 8.6964 14.5429 14.5760 14.8279 14.8677 k = 0.5147-0.2632 0.4082 ( 8892 PWs) bands (ev): -39.5007 -39.5007 -14.0578 -14.0578 -14.0572 -14.0569 -13.0318 -13.0316 -13.0210 -13.0207 -13.0179 -13.0177 -7.3654 -7.3630 -7.3410 -7.3396 -6.5411 -6.5361 -6.4872 -6.4856 -6.4815 -6.4793 0.6667 0.6705 1.7125 1.7200 5.4262 5.4491 5.4903 5.5080 8.3241 8.3403 8.6297 8.6504 14.5948 14.6181 14.8865 14.9145 k = 0.5074-0.2759 0.4082 ( 8904 PWs) bands (ev): -39.5007 -39.5007 -14.0578 -14.0578 -14.0571 -14.0570 -13.0317 -13.0316 -13.0209 -13.0208 -13.0179 -13.0178 -7.3648 -7.3636 -7.3407 -7.3400 -6.5399 -6.5373 -6.4868 -6.4860 -6.4809 -6.4798 0.6672 0.6691 1.7131 1.7168 5.4453 5.4586 5.4969 5.5075 8.3126 8.3209 8.6116 8.6222 14.6292 14.6412 14.9266 14.9411 k = 0.5000-0.2887 0.4082 ( 8904 PWs) bands (ev): -39.5007 -39.5007 -14.0578 -14.0578 -14.0571 -14.0571 -13.0317 -13.0317 -13.0209 -13.0209 -13.0178 -13.0178 -7.3642 -7.3642 -7.3404 -7.3404 -6.5386 -6.5386 -6.4864 -6.4864 -6.4803 -6.4803 0.6680 0.6680 1.7145 1.7145 5.4553 5.4553 5.5048 5.5048 8.3111 8.3111 8.6095 8.6095 14.6448 14.6448 14.9453 14.9453 Writing output data file LiInSn.save init_run : 0.99s CPU 0.57s WALL ( 1 calls) electrons : 264.34s CPU 165.17s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.07s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 264.33s CPU 165.16s 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 : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.23s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.50s CPU 0.49s WALL ( 316 calls) cegterg : 225.42s CPU 141.63s WALL ( 317 calls) Called by sum_band: Called by *egterg: h_psi : 187.03s CPU 107.50s WALL ( 5694 calls) s_psi : 5.09s CPU 3.13s WALL ( 5694 calls) g_psi : 0.39s CPU 0.29s WALL ( 5061 calls) cdiaghg : 38.74s CPU 29.55s WALL ( 5377 calls) cegterg:over : 9.24s CPU 6.34s WALL ( 5061 calls) cegterg:upda : 8.57s CPU 6.21s WALL ( 5061 calls) cegterg:last : 4.32s CPU 3.33s WALL ( 949 calls) cdiaghg:chol : 2.30s CPU 1.76s WALL ( 5377 calls) cdiaghg:inve : 1.09s CPU 0.80s WALL ( 5377 calls) cdiaghg:para : 2.24s CPU 1.66s WALL ( 10754 calls) Called by h_psi: h_psi:vloc : 174.32s CPU 99.54s WALL ( 5694 calls) h_psi:vnl : 12.23s CPU 7.67s WALL ( 5694 calls) add_vuspsi : 6.59s CPU 4.03s WALL ( 5694 calls) General routines calbec : 5.60s CPU 3.63s WALL ( 5694 calls) fft : 0.10s CPU 0.05s WALL ( 15 calls) fftw : 165.67s CPU 94.02s WALL ( 468604 calls) davcio : 0.28s CPU 1.29s WALL ( 632 calls) Parallel routines fft_scatter : 61.62s CPU 37.90s WALL ( 468619 calls) PWSCF : 4m44.88s CPU 3m18.20s WALL This run was terminated on: 4: 4:51 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=