Program PWSCF v.5.4.0 starts on 10Feb2017 at 16:36:42 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: ./Li2AgBi.save/ file Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 71 63 18 2362 2007 298 Max 72 64 19 2366 2022 300 Sum 2563 2299 649 85083 72497 10777 bravais-lattice index = 14 lattice parameter (alat) = 9.0009 a.u. unit-cell volume = 515.6354 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 457.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.000900 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Bi read from file: /users/gautes/Pseudo/Bi.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 2a6cbf750f457e6adc9554330ec86bb0 Pseudo is Ultrasoft + core correction, Zval = 15.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1283 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Li 3.00 6.94100 Li( 1.00) Bi 15.00 208.98040 Bi( 1.00) Ag 11.00 107.86820 Ag( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 2 3 120 deg rotation - cryst. axis [0,0,1] -2C3 -2 -3 120 deg rotation - cryst. axis [0,0,1] E 3s_v 4 5 -6 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 6 -4 -5 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 314 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 2) = ( 0.0106383 -0.0061420 0.0086861), wk = 0.0031847 k( 3) = ( 0.0212766 -0.0122841 0.0173723), wk = 0.0031847 k( 4) = ( 0.0319149 -0.0184261 0.0260584), wk = 0.0031847 k( 5) = ( 0.0425532 -0.0245681 0.0347445), wk = 0.0031847 k( 6) = ( 0.0531915 -0.0307101 0.0434307), wk = 0.0031847 k( 7) = ( 0.0638298 -0.0368521 0.0521168), wk = 0.0031847 k( 8) = ( 0.0744681 -0.0429942 0.0608029), wk = 0.0031847 k( 9) = ( 0.0851064 -0.0491362 0.0694891), wk = 0.0031847 k( 10) = ( 0.0957447 -0.0552782 0.0781752), wk = 0.0031847 k( 11) = ( 0.1063830 -0.0614202 0.0868613), wk = 0.0031847 k( 12) = ( 0.1170213 -0.0675623 0.0955475), wk = 0.0031847 k( 13) = ( 0.1276596 -0.0737043 0.1042336), wk = 0.0031847 k( 14) = ( 0.1382979 -0.0798463 0.1129197), wk = 0.0031847 k( 15) = ( 0.1489362 -0.0859883 0.1216059), wk = 0.0031847 k( 16) = ( 0.1595745 -0.0921304 0.1302920), wk = 0.0031847 k( 17) = ( 0.1702128 -0.0982724 0.1389781), wk = 0.0031847 k( 18) = ( 0.1808511 -0.1044144 0.1476643), wk = 0.0031847 k( 19) = ( 0.1914894 -0.1105564 0.1563504), wk = 0.0031847 k( 20) = ( 0.2021277 -0.1166985 0.1650365), wk = 0.0031847 k( 21) = ( 0.2127660 -0.1228405 0.1737227), wk = 0.0031847 k( 22) = ( 0.2234043 -0.1289825 0.1824088), wk = 0.0031847 k( 23) = ( 0.2340425 -0.1351245 0.1910949), wk = 0.0031847 k( 24) = ( 0.2446809 -0.1412666 0.1997811), wk = 0.0031847 k( 25) = ( 0.2553191 -0.1474086 0.2084672), wk = 0.0031847 k( 26) = ( 0.2659574 -0.1535506 0.2171533), wk = 0.0031847 k( 27) = ( 0.2765957 -0.1596926 0.2258395), wk = 0.0031847 k( 28) = ( 0.2872340 -0.1658347 0.2345256), wk = 0.0031847 k( 29) = ( 0.2978723 -0.1719767 0.2432117), wk = 0.0031847 k( 30) = ( 0.3085106 -0.1781187 0.2518979), wk = 0.0031847 k( 31) = ( 0.3191489 -0.1842607 0.2605840), wk = 0.0031847 k( 32) = ( 0.3297872 -0.1904027 0.2692701), wk = 0.0031847 k( 33) = ( 0.3404255 -0.1965448 0.2779563), wk = 0.0031847 k( 34) = ( 0.3510638 -0.2026868 0.2866424), wk = 0.0031847 k( 35) = ( 0.3617021 -0.2088288 0.2953286), wk = 0.0031847 k( 36) = ( 0.3723404 -0.2149708 0.3040147), wk = 0.0031847 k( 37) = ( 0.3829787 -0.2211129 0.3127008), wk = 0.0031847 k( 38) = ( 0.3936170 -0.2272549 0.3213870), wk = 0.0031847 k( 39) = ( 0.4042553 -0.2333969 0.3300731), wk = 0.0031847 k( 40) = ( 0.4148936 -0.2395389 0.3387592), wk = 0.0031847 k( 41) = ( 0.4255319 -0.2456810 0.3474453), wk = 0.0031847 k( 42) = ( 0.4361702 -0.2518230 0.3561315), wk = 0.0031847 k( 43) = ( 0.4468085 -0.2579650 0.3648176), wk = 0.0031847 k( 44) = ( 0.4574468 -0.2641070 0.3735038), wk = 0.0031847 k( 45) = ( 0.4680851 -0.2702491 0.3821899), wk = 0.0031847 k( 46) = ( 0.4787234 -0.2763911 0.3908760), wk = 0.0031847 k( 47) = ( 0.4893617 -0.2825331 0.3995622), wk = 0.0031847 k( 48) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031847 k( 49) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031847 k( 50) = ( 0.5000000 -0.2766470 0.4167535), wk = 0.0031847 k( 51) = ( 0.5000000 -0.2646189 0.4252586), wk = 0.0031847 k( 52) = ( 0.5000000 -0.2525907 0.4337638), wk = 0.0031847 k( 53) = ( 0.5000000 -0.2405626 0.4422690), wk = 0.0031847 k( 54) = ( 0.5000000 -0.2285345 0.4507742), wk = 0.0031847 k( 55) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0031847 k( 56) = ( 0.5000000 -0.2044782 0.4677845), wk = 0.0031847 k( 57) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0031847 k( 58) = ( 0.5000000 -0.1804220 0.4847948), wk = 0.0031847 k( 59) = ( 0.5000000 -0.1683938 0.4933000), wk = 0.0031847 k( 60) = ( 0.5000000 -0.1563657 0.5018052), wk = 0.0031847 k( 61) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0031847 k( 62) = ( 0.5000000 -0.1323094 0.5188155), wk = 0.0031847 k( 63) = ( 0.5000000 -0.1202813 0.5273207), wk = 0.0031847 k( 64) = ( 0.5000000 -0.1082532 0.5358259), wk = 0.0031847 k( 65) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0031847 k( 66) = ( 0.5000000 -0.0841969 0.5528362), wk = 0.0031847 k( 67) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0031847 k( 68) = ( 0.5000000 -0.0601406 0.5698466), wk = 0.0031847 k( 69) = ( 0.5000000 -0.0481125 0.5783517), wk = 0.0031847 k( 70) = ( 0.5000000 -0.0360844 0.5868569), wk = 0.0031847 k( 71) = ( 0.5000000 -0.0240563 0.5953621), wk = 0.0031847 k( 72) = ( 0.5000000 -0.0120281 0.6038673), wk = 0.0031847 k( 73) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0031847 k( 74) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0031847 k( 75) = ( 0.4926471 0.0127357 0.6123724), wk = 0.0031847 k( 76) = ( 0.4852941 0.0254713 0.6123724), wk = 0.0031847 k( 77) = ( 0.4779412 0.0382070 0.6123724), wk = 0.0031847 k( 78) = ( 0.4705882 0.0509427 0.6123724), wk = 0.0031847 k( 79) = ( 0.4632353 0.0636783 0.6123724), wk = 0.0031847 k( 80) = ( 0.4558823 0.0764140 0.6123724), wk = 0.0031847 k( 81) = ( 0.4485294 0.0891497 0.6123724), wk = 0.0031847 k( 82) = ( 0.4411765 0.1018853 0.6123724), wk = 0.0031847 k( 83) = ( 0.4338235 0.1146210 0.6123724), wk = 0.0031847 k( 84) = ( 0.4264706 0.1273567 0.6123724), wk = 0.0031847 k( 85) = ( 0.4191177 0.1400923 0.6123724), wk = 0.0031847 k( 86) = ( 0.4117647 0.1528280 0.6123724), wk = 0.0031847 k( 87) = ( 0.4044118 0.1655637 0.6123724), wk = 0.0031847 k( 88) = ( 0.3970588 0.1782994 0.6123724), wk = 0.0031847 k( 89) = ( 0.3897059 0.1910350 0.6123724), wk = 0.0031847 k( 90) = ( 0.3823529 0.2037707 0.6123724), wk = 0.0031847 k( 91) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031847 k( 92) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031847 k( 93) = ( 0.3675000 0.2121762 0.6001250), wk = 0.0031847 k( 94) = ( 0.3600000 0.2078461 0.5878775), wk = 0.0031847 k( 95) = ( 0.3525000 0.2035160 0.5756301), wk = 0.0031847 k( 96) = ( 0.3450000 0.1991858 0.5633826), wk = 0.0031847 k( 97) = ( 0.3375000 0.1948557 0.5511352), wk = 0.0031847 k( 98) = ( 0.3300000 0.1905256 0.5388877), wk = 0.0031847 k( 99) = ( 0.3225000 0.1861955 0.5266403), wk = 0.0031847 k( 100) = ( 0.3150000 0.1818653 0.5143928), wk = 0.0031847 k( 101) = ( 0.3075000 0.1775352 0.5021454), wk = 0.0031847 k( 102) = ( 0.3000000 0.1732051 0.4898979), wk = 0.0031847 k( 103) = ( 0.2925000 0.1688750 0.4776505), wk = 0.0031847 k( 104) = ( 0.2850000 0.1645448 0.4654031), wk = 0.0031847 k( 105) = ( 0.2775000 0.1602147 0.4531556), wk = 0.0031847 k( 106) = ( 0.2700000 0.1558846 0.4409082), wk = 0.0031847 k( 107) = ( 0.2625000 0.1515544 0.4286607), wk = 0.0031847 k( 108) = ( 0.2550000 0.1472243 0.4164133), wk = 0.0031847 k( 109) = ( 0.2475000 0.1428942 0.4041658), wk = 0.0031847 k( 110) = ( 0.2400000 0.1385641 0.3919184), wk = 0.0031847 k( 111) = ( 0.2325000 0.1342339 0.3796709), wk = 0.0031847 k( 112) = ( 0.2250000 0.1299038 0.3674235), wk = 0.0031847 k( 113) = ( 0.2175000 0.1255737 0.3551760), wk = 0.0031847 k( 114) = ( 0.2100000 0.1212436 0.3429286), wk = 0.0031847 k( 115) = ( 0.2025000 0.1169134 0.3306811), wk = 0.0031847 k( 116) = ( 0.1950000 0.1125833 0.3184337), wk = 0.0031847 k( 117) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0031847 k( 118) = ( 0.1800000 0.1039230 0.2939388), wk = 0.0031847 k( 119) = ( 0.1725000 0.0995929 0.2816913), wk = 0.0031847 k( 120) = ( 0.1650000 0.0952628 0.2694439), wk = 0.0031847 k( 121) = ( 0.1575000 0.0909327 0.2571964), wk = 0.0031847 k( 122) = ( 0.1500000 0.0866025 0.2449490), wk = 0.0031847 k( 123) = ( 0.1425000 0.0822724 0.2327015), wk = 0.0031847 k( 124) = ( 0.1350000 0.0779423 0.2204541), wk = 0.0031847 k( 125) = ( 0.1275000 0.0736122 0.2082066), wk = 0.0031847 k( 126) = ( 0.1200000 0.0692820 0.1959592), wk = 0.0031847 k( 127) = ( 0.1125000 0.0649519 0.1837117), wk = 0.0031847 k( 128) = ( 0.1050000 0.0606218 0.1714643), wk = 0.0031847 k( 129) = ( 0.0975000 0.0562917 0.1592168), wk = 0.0031847 k( 130) = ( 0.0900000 0.0519615 0.1469694), wk = 0.0031847 k( 131) = ( 0.0825000 0.0476314 0.1347219), wk = 0.0031847 k( 132) = ( 0.0750000 0.0433013 0.1224745), wk = 0.0031847 k( 133) = ( 0.0675000 0.0389711 0.1102270), wk = 0.0031847 k( 134) = ( 0.0600000 0.0346410 0.0979796), wk = 0.0031847 k( 135) = ( 0.0525000 0.0303109 0.0857321), wk = 0.0031847 k( 136) = ( 0.0450000 0.0259808 0.0734847), wk = 0.0031847 k( 137) = ( 0.0375000 0.0216506 0.0612372), wk = 0.0031847 k( 138) = ( 0.0300000 0.0173205 0.0489898), wk = 0.0031847 k( 139) = ( 0.0225000 0.0129904 0.0367423), wk = 0.0031847 k( 140) = ( 0.0150000 0.0086603 0.0244949), wk = 0.0031847 k( 141) = ( 0.0075000 0.0043301 0.0122474), wk = 0.0031847 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 144) = ( 0.0121951 0.0070409 0.0049786), wk = 0.0031847 k( 145) = ( 0.0243902 0.0140817 0.0099573), wk = 0.0031847 k( 146) = ( 0.0365854 0.0211226 0.0149359), wk = 0.0031847 k( 147) = ( 0.0487805 0.0281634 0.0199146), wk = 0.0031847 k( 148) = ( 0.0609756 0.0352043 0.0248932), wk = 0.0031847 k( 149) = ( 0.0731707 0.0422451 0.0298718), wk = 0.0031847 k( 150) = ( 0.0853658 0.0492860 0.0348505), wk = 0.0031847 k( 151) = ( 0.0975610 0.0563269 0.0398291), wk = 0.0031847 k( 152) = ( 0.1097561 0.0633677 0.0448077), wk = 0.0031847 k( 153) = ( 0.1219512 0.0704086 0.0497864), wk = 0.0031847 k( 154) = ( 0.1341463 0.0774494 0.0547650), wk = 0.0031847 k( 155) = ( 0.1463415 0.0844903 0.0597437), wk = 0.0031847 k( 156) = ( 0.1585366 0.0915311 0.0647223), wk = 0.0031847 k( 157) = ( 0.1707317 0.0985720 0.0697009), wk = 0.0031847 k( 158) = ( 0.1829268 0.1056129 0.0746796), wk = 0.0031847 k( 159) = ( 0.1951219 0.1126537 0.0796582), wk = 0.0031847 k( 160) = ( 0.2073171 0.1196946 0.0846368), wk = 0.0031847 k( 161) = ( 0.2195122 0.1267354 0.0896155), wk = 0.0031847 k( 162) = ( 0.2317073 0.1337763 0.0945941), wk = 0.0031847 k( 163) = ( 0.2439024 0.1408171 0.0995728), wk = 0.0031847 k( 164) = ( 0.2560976 0.1478580 0.1045514), wk = 0.0031847 k( 165) = ( 0.2682927 0.1548989 0.1095300), wk = 0.0031847 k( 166) = ( 0.2804878 0.1619397 0.1145087), wk = 0.0031847 k( 167) = ( 0.2926829 0.1689806 0.1194873), wk = 0.0031847 k( 168) = ( 0.3048781 0.1760214 0.1244659), wk = 0.0031847 k( 169) = ( 0.3170732 0.1830623 0.1294446), wk = 0.0031847 k( 170) = ( 0.3292683 0.1901031 0.1344232), wk = 0.0031847 k( 171) = ( 0.3414634 0.1971440 0.1394019), wk = 0.0031847 k( 172) = ( 0.3536585 0.2041849 0.1443805), wk = 0.0031847 k( 173) = ( 0.3658537 0.2112257 0.1493591), wk = 0.0031847 k( 174) = ( 0.3780488 0.2182666 0.1543378), wk = 0.0031847 k( 175) = ( 0.3902439 0.2253074 0.1593164), wk = 0.0031847 k( 176) = ( 0.4024390 0.2323483 0.1642950), wk = 0.0031847 k( 177) = ( 0.4146341 0.2393891 0.1692737), wk = 0.0031847 k( 178) = ( 0.4268293 0.2464300 0.1742523), wk = 0.0031847 k( 179) = ( 0.4390244 0.2534708 0.1792310), wk = 0.0031847 k( 180) = ( 0.4512195 0.2605117 0.1842096), wk = 0.0031847 k( 181) = ( 0.4634146 0.2675526 0.1891882), wk = 0.0031847 k( 182) = ( 0.4756098 0.2745934 0.1941669), wk = 0.0031847 k( 183) = ( 0.4878049 0.2816343 0.1991455), wk = 0.0031847 k( 184) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031847 k( 185) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031847 k( 186) = ( 0.5043103 0.2762322 0.2111629), wk = 0.0031847 k( 187) = ( 0.5086207 0.2637893 0.2182017), wk = 0.0031847 k( 188) = ( 0.5129310 0.2513465 0.2252404), wk = 0.0031847 k( 189) = ( 0.5172414 0.2389036 0.2322792), wk = 0.0031847 k( 190) = ( 0.5215517 0.2264607 0.2393180), wk = 0.0031847 k( 191) = ( 0.5258621 0.2140178 0.2463567), wk = 0.0031847 k( 192) = ( 0.5301724 0.2015749 0.2533955), wk = 0.0031847 k( 193) = ( 0.5344828 0.1891320 0.2604343), wk = 0.0031847 k( 194) = ( 0.5387931 0.1766891 0.2674730), wk = 0.0031847 k( 195) = ( 0.5431035 0.1642462 0.2745118), wk = 0.0031847 k( 196) = ( 0.5474138 0.1518033 0.2815505), wk = 0.0031847 k( 197) = ( 0.5517241 0.1393604 0.2885893), wk = 0.0031847 k( 198) = ( 0.5560345 0.1269175 0.2956281), wk = 0.0031847 k( 199) = ( 0.5603448 0.1144746 0.3026668), wk = 0.0031847 k( 200) = ( 0.5646552 0.1020317 0.3097056), wk = 0.0031847 k( 201) = ( 0.5689655 0.0895888 0.3167444), wk = 0.0031847 k( 202) = ( 0.5732759 0.0771459 0.3237831), wk = 0.0031847 k( 203) = ( 0.5775862 0.0647030 0.3308219), wk = 0.0031847 k( 204) = ( 0.5818965 0.0522602 0.3378607), wk = 0.0031847 k( 205) = ( 0.5862069 0.0398173 0.3448994), wk = 0.0031847 k( 206) = ( 0.5905172 0.0273744 0.3519382), wk = 0.0031847 k( 207) = ( 0.5948276 0.0149315 0.3589769), wk = 0.0031847 k( 208) = ( 0.5991379 0.0024886 0.3660157), wk = 0.0031847 k( 209) = ( 0.6034483 -0.0099543 0.3730545), wk = 0.0031847 k( 210) = ( 0.6077586 -0.0223972 0.3800932), wk = 0.0031847 k( 211) = ( 0.6120690 -0.0348401 0.3871320), wk = 0.0031847 k( 212) = ( 0.6163793 -0.0472830 0.3941708), wk = 0.0031847 k( 213) = ( 0.6206897 -0.0597259 0.4012095), wk = 0.0031847 k( 214) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031847 k( 215) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031847 k( 216) = ( 0.6176471 -0.0679236 0.4202556), wk = 0.0031847 k( 217) = ( 0.6102941 -0.0636783 0.4322629), wk = 0.0031847 k( 218) = ( 0.6029412 -0.0594331 0.4442702), wk = 0.0031847 k( 219) = ( 0.5955882 -0.0551879 0.4562775), wk = 0.0031847 k( 220) = ( 0.5882353 -0.0509427 0.4682848), wk = 0.0031847 k( 221) = ( 0.5808823 -0.0466974 0.4802921), wk = 0.0031847 k( 222) = ( 0.5735294 -0.0424522 0.4922994), wk = 0.0031847 k( 223) = ( 0.5661765 -0.0382070 0.5043067), wk = 0.0031847 k( 224) = ( 0.5588235 -0.0339618 0.5163140), wk = 0.0031847 k( 225) = ( 0.5514706 -0.0297166 0.5283213), wk = 0.0031847 k( 226) = ( 0.5441177 -0.0254713 0.5403286), wk = 0.0031847 k( 227) = ( 0.5367647 -0.0212261 0.5523359), wk = 0.0031847 k( 228) = ( 0.5294118 -0.0169809 0.5643432), wk = 0.0031847 k( 229) = ( 0.5220588 -0.0127357 0.5763505), wk = 0.0031847 k( 230) = ( 0.5147059 -0.0084904 0.5883578), wk = 0.0031847 k( 231) = ( 0.5073529 -0.0042452 0.6003651), wk = 0.0031847 k( 232) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0031847 k( 233) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0031847 k( 234) = ( 0.5000000 0.0087477 0.6000013), wk = 0.0031847 k( 235) = ( 0.5000000 0.0174955 0.5876301), wk = 0.0031847 k( 236) = ( 0.5000000 0.0262432 0.5752590), wk = 0.0031847 k( 237) = ( 0.5000000 0.0349909 0.5628878), wk = 0.0031847 k( 238) = ( 0.5000000 0.0437387 0.5505166), wk = 0.0031847 k( 239) = ( 0.5000000 0.0524864 0.5381455), wk = 0.0031847 k( 240) = ( 0.5000000 0.0612341 0.5257743), wk = 0.0031847 k( 241) = ( 0.5000000 0.0699819 0.5134032), wk = 0.0031847 k( 242) = ( 0.5000000 0.0787296 0.5010320), wk = 0.0031847 k( 243) = ( 0.5000000 0.0874773 0.4886608), wk = 0.0031847 k( 244) = ( 0.5000000 0.0962250 0.4762897), wk = 0.0031847 k( 245) = ( 0.5000000 0.1049728 0.4639185), wk = 0.0031847 k( 246) = ( 0.5000000 0.1137205 0.4515473), wk = 0.0031847 k( 247) = ( 0.5000000 0.1224682 0.4391762), wk = 0.0031847 k( 248) = ( 0.5000000 0.1312160 0.4268050), wk = 0.0031847 k( 249) = ( 0.5000000 0.1399637 0.4144339), wk = 0.0031847 k( 250) = ( 0.5000000 0.1487114 0.4020627), wk = 0.0031847 k( 251) = ( 0.5000000 0.1574592 0.3896915), wk = 0.0031847 k( 252) = ( 0.5000000 0.1662069 0.3773204), wk = 0.0031847 k( 253) = ( 0.5000000 0.1749546 0.3649492), wk = 0.0031847 k( 254) = ( 0.5000000 0.1837024 0.3525781), wk = 0.0031847 k( 255) = ( 0.5000000 0.1924501 0.3402069), wk = 0.0031847 k( 256) = ( 0.5000000 0.2011978 0.3278358), wk = 0.0031847 k( 257) = ( 0.5000000 0.2099456 0.3154646), wk = 0.0031847 k( 258) = ( 0.5000000 0.2186933 0.3030934), wk = 0.0031847 k( 259) = ( 0.5000000 0.2274410 0.2907223), wk = 0.0031847 k( 260) = ( 0.5000000 0.2361887 0.2783511), wk = 0.0031847 k( 261) = ( 0.5000000 0.2449365 0.2659800), wk = 0.0031847 k( 262) = ( 0.5000000 0.2536842 0.2536088), wk = 0.0031847 k( 263) = ( 0.5000000 0.2624319 0.2412376), wk = 0.0031847 k( 264) = ( 0.5000000 0.2711797 0.2288665), wk = 0.0031847 k( 265) = ( 0.5000000 0.2799274 0.2164953), wk = 0.0031847 k( 266) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031847 k( 267) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031847 k( 268) = ( 0.4956897 0.2861866 0.2182017), wk = 0.0031847 k( 269) = ( 0.4913793 0.2836980 0.2322792), wk = 0.0031847 k( 270) = ( 0.4870690 0.2812094 0.2463567), wk = 0.0031847 k( 271) = ( 0.4827586 0.2787208 0.2604343), wk = 0.0031847 k( 272) = ( 0.4784483 0.2762322 0.2745118), wk = 0.0031847 k( 273) = ( 0.4741379 0.2737437 0.2885893), wk = 0.0031847 k( 274) = ( 0.4698276 0.2712551 0.3026668), wk = 0.0031847 k( 275) = ( 0.4655172 0.2687665 0.3167444), wk = 0.0031847 k( 276) = ( 0.4612069 0.2662779 0.3308219), wk = 0.0031847 k( 277) = ( 0.4568966 0.2637893 0.3448994), wk = 0.0031847 k( 278) = ( 0.4525862 0.2613008 0.3589769), wk = 0.0031847 k( 279) = ( 0.4482759 0.2588122 0.3730545), wk = 0.0031847 k( 280) = ( 0.4439655 0.2563236 0.3871320), wk = 0.0031847 k( 281) = ( 0.4396552 0.2538350 0.4012095), wk = 0.0031847 k( 282) = ( 0.4353448 0.2513465 0.4152870), wk = 0.0031847 k( 283) = ( 0.4310345 0.2488579 0.4293646), wk = 0.0031847 k( 284) = ( 0.4267241 0.2463693 0.4434421), wk = 0.0031847 k( 285) = ( 0.4224138 0.2438807 0.4575196), wk = 0.0031847 k( 286) = ( 0.4181034 0.2413921 0.4715972), wk = 0.0031847 k( 287) = ( 0.4137931 0.2389036 0.4856747), wk = 0.0031847 k( 288) = ( 0.4094828 0.2364150 0.4997522), wk = 0.0031847 k( 289) = ( 0.4051724 0.2339264 0.5138297), wk = 0.0031847 k( 290) = ( 0.4008621 0.2314378 0.5279073), wk = 0.0031847 k( 291) = ( 0.3965517 0.2289492 0.5419848), wk = 0.0031847 k( 292) = ( 0.3922414 0.2264607 0.5560623), wk = 0.0031847 k( 293) = ( 0.3879310 0.2239721 0.5701399), wk = 0.0031847 k( 294) = ( 0.3836207 0.2214835 0.5842174), wk = 0.0031847 k( 295) = ( 0.3793103 0.2189949 0.5982949), wk = 0.0031847 k( 296) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031847 k( 297) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031847 k( 298) = ( 0.6176471 -0.0849044 0.4082483), wk = 0.0031847 k( 299) = ( 0.6102941 -0.0976401 0.4082483), wk = 0.0031847 k( 300) = ( 0.6029412 -0.1103758 0.4082483), wk = 0.0031847 k( 301) = ( 0.5955882 -0.1231115 0.4082483), wk = 0.0031847 k( 302) = ( 0.5882353 -0.1358471 0.4082483), wk = 0.0031847 k( 303) = ( 0.5808823 -0.1485828 0.4082483), wk = 0.0031847 k( 304) = ( 0.5735294 -0.1613185 0.4082483), wk = 0.0031847 k( 305) = ( 0.5661765 -0.1740541 0.4082483), wk = 0.0031847 k( 306) = ( 0.5588235 -0.1867898 0.4082483), wk = 0.0031847 k( 307) = ( 0.5514706 -0.1995255 0.4082483), wk = 0.0031847 k( 308) = ( 0.5441177 -0.2122611 0.4082483), wk = 0.0031847 k( 309) = ( 0.5367647 -0.2249968 0.4082483), wk = 0.0031847 k( 310) = ( 0.5294118 -0.2377325 0.4082483), wk = 0.0031847 k( 311) = ( 0.5220588 -0.2504681 0.4082483), wk = 0.0031847 k( 312) = ( 0.5147059 -0.2632038 0.4082483), wk = 0.0031847 k( 313) = ( 0.5073529 -0.2759395 0.4082483), wk = 0.0031847 k( 314) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031847 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 2) = ( 0.0106383 -0.0000000 0.0106383), wk = 0.0031847 k( 3) = ( 0.0212766 -0.0000000 0.0212766), wk = 0.0031847 k( 4) = ( 0.0319149 -0.0000000 0.0319149), wk = 0.0031847 k( 5) = ( 0.0425532 -0.0000000 0.0425532), wk = 0.0031847 k( 6) = ( 0.0531915 -0.0000000 0.0531915), wk = 0.0031847 k( 7) = ( 0.0638298 0.0000000 0.0638298), wk = 0.0031847 k( 8) = ( 0.0744681 0.0000000 0.0744681), wk = 0.0031847 k( 9) = ( 0.0851064 -0.0000000 0.0851064), wk = 0.0031847 k( 10) = ( 0.0957447 -0.0000000 0.0957447), wk = 0.0031847 k( 11) = ( 0.1063830 -0.0000000 0.1063830), wk = 0.0031847 k( 12) = ( 0.1170213 -0.0000000 0.1170213), wk = 0.0031847 k( 13) = ( 0.1276596 0.0000000 0.1276596), wk = 0.0031847 k( 14) = ( 0.1382979 0.0000000 0.1382979), wk = 0.0031847 k( 15) = ( 0.1489362 0.0000000 0.1489362), wk = 0.0031847 k( 16) = ( 0.1595745 0.0000000 0.1595745), wk = 0.0031847 k( 17) = ( 0.1702128 -0.0000000 0.1702128), wk = 0.0031847 k( 18) = ( 0.1808511 -0.0000000 0.1808511), wk = 0.0031847 k( 19) = ( 0.1914894 -0.0000000 0.1914894), wk = 0.0031847 k( 20) = ( 0.2021277 -0.0000000 0.2021277), wk = 0.0031847 k( 21) = ( 0.2127660 -0.0000000 0.2127660), wk = 0.0031847 k( 22) = ( 0.2234043 -0.0000000 0.2234043), wk = 0.0031847 k( 23) = ( 0.2340425 -0.0000000 0.2340426), wk = 0.0031847 k( 24) = ( 0.2446809 -0.0000000 0.2446809), wk = 0.0031847 k( 25) = ( 0.2553191 0.0000000 0.2553192), wk = 0.0031847 k( 26) = ( 0.2659574 0.0000000 0.2659574), wk = 0.0031847 k( 27) = ( 0.2765957 0.0000000 0.2765957), wk = 0.0031847 k( 28) = ( 0.2872340 0.0000000 0.2872340), wk = 0.0031847 k( 29) = ( 0.2978723 0.0000000 0.2978723), wk = 0.0031847 k( 30) = ( 0.3085106 0.0000000 0.3085106), wk = 0.0031847 k( 31) = ( 0.3191489 0.0000000 0.3191489), wk = 0.0031847 k( 32) = ( 0.3297872 0.0000000 0.3297872), wk = 0.0031847 k( 33) = ( 0.3404255 0.0000000 0.3404255), wk = 0.0031847 k( 34) = ( 0.3510638 0.0000000 0.3510638), wk = 0.0031847 k( 35) = ( 0.3617021 0.0000000 0.3617021), wk = 0.0031847 k( 36) = ( 0.3723404 -0.0000000 0.3723404), wk = 0.0031847 k( 37) = ( 0.3829787 -0.0000000 0.3829787), wk = 0.0031847 k( 38) = ( 0.3936170 -0.0000000 0.3936170), wk = 0.0031847 k( 39) = ( 0.4042553 -0.0000000 0.4042553), wk = 0.0031847 k( 40) = ( 0.4148936 -0.0000000 0.4148936), wk = 0.0031847 k( 41) = ( 0.4255319 -0.0000000 0.4255319), wk = 0.0031847 k( 42) = ( 0.4361702 -0.0000000 0.4361702), wk = 0.0031847 k( 43) = ( 0.4468085 -0.0000000 0.4468085), wk = 0.0031847 k( 44) = ( 0.4574468 -0.0000000 0.4574468), wk = 0.0031847 k( 45) = ( 0.4680851 -0.0000000 0.4680851), wk = 0.0031847 k( 46) = ( 0.4787234 -0.0000000 0.4787234), wk = 0.0031847 k( 47) = ( 0.4893617 -0.0000000 0.4893617), wk = 0.0031847 k( 48) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031847 k( 49) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031847 k( 50) = ( 0.5000000 0.0104167 0.5104167), wk = 0.0031847 k( 51) = ( 0.5000000 0.0208333 0.5208333), wk = 0.0031847 k( 52) = ( 0.5000000 0.0312500 0.5312500), wk = 0.0031847 k( 53) = ( 0.5000000 0.0416667 0.5416667), wk = 0.0031847 k( 54) = ( 0.5000000 0.0520833 0.5520833), wk = 0.0031847 k( 55) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0031847 k( 56) = ( 0.5000000 0.0729167 0.5729167), wk = 0.0031847 k( 57) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0031847 k( 58) = ( 0.5000000 0.0937500 0.5937500), wk = 0.0031847 k( 59) = ( 0.5000000 0.1041667 0.6041667), wk = 0.0031847 k( 60) = ( 0.5000000 0.1145833 0.6145833), wk = 0.0031847 k( 61) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0031847 k( 62) = ( 0.5000000 0.1354167 0.6354167), wk = 0.0031847 k( 63) = ( 0.5000000 0.1458333 0.6458333), wk = 0.0031847 k( 64) = ( 0.5000000 0.1562500 0.6562500), wk = 0.0031847 k( 65) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0031847 k( 66) = ( 0.5000000 0.1770833 0.6770833), wk = 0.0031847 k( 67) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0031847 k( 68) = ( 0.5000000 0.1979167 0.6979167), wk = 0.0031847 k( 69) = ( 0.5000000 0.2083333 0.7083333), wk = 0.0031847 k( 70) = ( 0.5000000 0.2187500 0.7187500), wk = 0.0031847 k( 71) = ( 0.5000000 0.2291667 0.7291667), wk = 0.0031847 k( 72) = ( 0.5000000 0.2395833 0.7395833), wk = 0.0031847 k( 73) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031847 k( 74) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031847 k( 75) = ( 0.4926471 0.2573529 0.7500000), wk = 0.0031847 k( 76) = ( 0.4852941 0.2647059 0.7500000), wk = 0.0031847 k( 77) = ( 0.4779412 0.2720588 0.7500000), wk = 0.0031847 k( 78) = ( 0.4705882 0.2794118 0.7500000), wk = 0.0031847 k( 79) = ( 0.4632353 0.2867647 0.7500000), wk = 0.0031847 k( 80) = ( 0.4558823 0.2941177 0.7500000), wk = 0.0031847 k( 81) = ( 0.4485294 0.3014706 0.7500000), wk = 0.0031847 k( 82) = ( 0.4411765 0.3088235 0.7500000), wk = 0.0031847 k( 83) = ( 0.4338235 0.3161765 0.7500000), wk = 0.0031847 k( 84) = ( 0.4264706 0.3235294 0.7500000), wk = 0.0031847 k( 85) = ( 0.4191177 0.3308824 0.7500000), wk = 0.0031847 k( 86) = ( 0.4117647 0.3382353 0.7500000), wk = 0.0031847 k( 87) = ( 0.4044118 0.3455882 0.7500000), wk = 0.0031847 k( 88) = ( 0.3970588 0.3529412 0.7500000), wk = 0.0031847 k( 89) = ( 0.3897059 0.3602941 0.7500000), wk = 0.0031847 k( 90) = ( 0.3823529 0.3676471 0.7500000), wk = 0.0031847 k( 91) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031847 k( 92) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031847 k( 93) = ( 0.3675000 0.3675000 0.7350000), wk = 0.0031847 k( 94) = ( 0.3600000 0.3600000 0.7200000), wk = 0.0031847 k( 95) = ( 0.3525000 0.3525000 0.7050000), wk = 0.0031847 k( 96) = ( 0.3450000 0.3450000 0.6900000), wk = 0.0031847 k( 97) = ( 0.3375000 0.3375000 0.6750000), wk = 0.0031847 k( 98) = ( 0.3300000 0.3300000 0.6600000), wk = 0.0031847 k( 99) = ( 0.3225000 0.3225000 0.6450000), wk = 0.0031847 k( 100) = ( 0.3150000 0.3150000 0.6300000), wk = 0.0031847 k( 101) = ( 0.3075000 0.3075000 0.6150000), wk = 0.0031847 k( 102) = ( 0.3000000 0.3000000 0.6000000), wk = 0.0031847 k( 103) = ( 0.2925000 0.2925000 0.5850000), wk = 0.0031847 k( 104) = ( 0.2850000 0.2850000 0.5700000), wk = 0.0031847 k( 105) = ( 0.2775000 0.2775000 0.5550000), wk = 0.0031847 k( 106) = ( 0.2700000 0.2700000 0.5400000), wk = 0.0031847 k( 107) = ( 0.2625000 0.2625000 0.5250000), wk = 0.0031847 k( 108) = ( 0.2550000 0.2550000 0.5100000), wk = 0.0031847 k( 109) = ( 0.2475000 0.2475000 0.4950000), wk = 0.0031847 k( 110) = ( 0.2400000 0.2400000 0.4800000), wk = 0.0031847 k( 111) = ( 0.2325000 0.2325000 0.4650000), wk = 0.0031847 k( 112) = ( 0.2250000 0.2250000 0.4500000), wk = 0.0031847 k( 113) = ( 0.2175000 0.2175000 0.4350000), wk = 0.0031847 k( 114) = ( 0.2100000 0.2100000 0.4200000), wk = 0.0031847 k( 115) = ( 0.2025000 0.2025000 0.4050000), wk = 0.0031847 k( 116) = ( 0.1950000 0.1950000 0.3900000), wk = 0.0031847 k( 117) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0031847 k( 118) = ( 0.1800000 0.1800000 0.3600000), wk = 0.0031847 k( 119) = ( 0.1725000 0.1725000 0.3450000), wk = 0.0031847 k( 120) = ( 0.1650000 0.1650000 0.3300000), wk = 0.0031847 k( 121) = ( 0.1575000 0.1575000 0.3150000), wk = 0.0031847 k( 122) = ( 0.1500000 0.1500000 0.3000000), wk = 0.0031847 k( 123) = ( 0.1425000 0.1425000 0.2850000), wk = 0.0031847 k( 124) = ( 0.1350000 0.1350000 0.2700000), wk = 0.0031847 k( 125) = ( 0.1275000 0.1275000 0.2550000), wk = 0.0031847 k( 126) = ( 0.1200000 0.1200000 0.2400000), wk = 0.0031847 k( 127) = ( 0.1125000 0.1125000 0.2250000), wk = 0.0031847 k( 128) = ( 0.1050000 0.1050000 0.2100000), wk = 0.0031847 k( 129) = ( 0.0975000 0.0975000 0.1950000), wk = 0.0031847 k( 130) = ( 0.0900000 0.0900000 0.1800000), wk = 0.0031847 k( 131) = ( 0.0825000 0.0825000 0.1650000), wk = 0.0031847 k( 132) = ( 0.0750000 0.0750000 0.1500000), wk = 0.0031847 k( 133) = ( 0.0675000 0.0675000 0.1350000), wk = 0.0031847 k( 134) = ( 0.0600000 0.0600000 0.1200000), wk = 0.0031847 k( 135) = ( 0.0525000 0.0525000 0.1050000), wk = 0.0031847 k( 136) = ( 0.0450000 0.0450000 0.0900000), wk = 0.0031847 k( 137) = ( 0.0375000 0.0375000 0.0750000), wk = 0.0031847 k( 138) = ( 0.0300000 0.0300000 0.0600000), wk = 0.0031847 k( 139) = ( 0.0225000 0.0225000 0.0450000), wk = 0.0031847 k( 140) = ( 0.0150000 0.0150000 0.0300000), wk = 0.0031847 k( 141) = ( 0.0075000 0.0075000 0.0150000), wk = 0.0031847 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031847 k( 144) = ( 0.0121951 0.0121951 0.0121951), wk = 0.0031847 k( 145) = ( 0.0243902 0.0243902 0.0243902), wk = 0.0031847 k( 146) = ( 0.0365854 0.0365854 0.0365854), wk = 0.0031847 k( 147) = ( 0.0487805 0.0487805 0.0487805), wk = 0.0031847 k( 148) = ( 0.0609756 0.0609756 0.0609756), wk = 0.0031847 k( 149) = ( 0.0731707 0.0731707 0.0731707), wk = 0.0031847 k( 150) = ( 0.0853658 0.0853659 0.0853659), wk = 0.0031847 k( 151) = ( 0.0975610 0.0975610 0.0975610), wk = 0.0031847 k( 152) = ( 0.1097561 0.1097561 0.1097561), wk = 0.0031847 k( 153) = ( 0.1219512 0.1219512 0.1219512), wk = 0.0031847 k( 154) = ( 0.1341463 0.1341463 0.1341463), wk = 0.0031847 k( 155) = ( 0.1463415 0.1463415 0.1463415), wk = 0.0031847 k( 156) = ( 0.1585366 0.1585366 0.1585366), wk = 0.0031847 k( 157) = ( 0.1707317 0.1707317 0.1707317), wk = 0.0031847 k( 158) = ( 0.1829268 0.1829268 0.1829268), wk = 0.0031847 k( 159) = ( 0.1951219 0.1951219 0.1951220), wk = 0.0031847 k( 160) = ( 0.2073171 0.2073171 0.2073171), wk = 0.0031847 k( 161) = ( 0.2195122 0.2195122 0.2195122), wk = 0.0031847 k( 162) = ( 0.2317073 0.2317073 0.2317073), wk = 0.0031847 k( 163) = ( 0.2439024 0.2439024 0.2439024), wk = 0.0031847 k( 164) = ( 0.2560976 0.2560976 0.2560976), wk = 0.0031847 k( 165) = ( 0.2682927 0.2682927 0.2682927), wk = 0.0031847 k( 166) = ( 0.2804878 0.2804878 0.2804878), wk = 0.0031847 k( 167) = ( 0.2926829 0.2926829 0.2926829), wk = 0.0031847 k( 168) = ( 0.3048781 0.3048781 0.3048781), wk = 0.0031847 k( 169) = ( 0.3170732 0.3170732 0.3170732), wk = 0.0031847 k( 170) = ( 0.3292683 0.3292683 0.3292683), wk = 0.0031847 k( 171) = ( 0.3414634 0.3414634 0.3414634), wk = 0.0031847 k( 172) = ( 0.3536585 0.3536585 0.3536585), wk = 0.0031847 k( 173) = ( 0.3658537 0.3658537 0.3658537), wk = 0.0031847 k( 174) = ( 0.3780488 0.3780488 0.3780488), wk = 0.0031847 k( 175) = ( 0.3902439 0.3902439 0.3902439), wk = 0.0031847 k( 176) = ( 0.4024390 0.4024390 0.4024390), wk = 0.0031847 k( 177) = ( 0.4146341 0.4146341 0.4146342), wk = 0.0031847 k( 178) = ( 0.4268293 0.4268293 0.4268293), wk = 0.0031847 k( 179) = ( 0.4390244 0.4390244 0.4390244), wk = 0.0031847 k( 180) = ( 0.4512195 0.4512195 0.4512195), wk = 0.0031847 k( 181) = ( 0.4634146 0.4634146 0.4634146), wk = 0.0031847 k( 182) = ( 0.4756098 0.4756098 0.4756098), wk = 0.0031847 k( 183) = ( 0.4878049 0.4878049 0.4878049), wk = 0.0031847 k( 184) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031847 k( 185) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031847 k( 186) = ( 0.5043103 0.4913793 0.5043103), wk = 0.0031847 k( 187) = ( 0.5086207 0.4827586 0.5086207), wk = 0.0031847 k( 188) = ( 0.5129310 0.4741379 0.5129310), wk = 0.0031847 k( 189) = ( 0.5172414 0.4655172 0.5172414), wk = 0.0031847 k( 190) = ( 0.5215517 0.4568966 0.5215517), wk = 0.0031847 k( 191) = ( 0.5258621 0.4482759 0.5258621), wk = 0.0031847 k( 192) = ( 0.5301724 0.4396552 0.5301724), wk = 0.0031847 k( 193) = ( 0.5344828 0.4310345 0.5344828), wk = 0.0031847 k( 194) = ( 0.5387931 0.4224138 0.5387931), wk = 0.0031847 k( 195) = ( 0.5431035 0.4137931 0.5431035), wk = 0.0031847 k( 196) = ( 0.5474138 0.4051724 0.5474138), wk = 0.0031847 k( 197) = ( 0.5517241 0.3965517 0.5517241), wk = 0.0031847 k( 198) = ( 0.5560345 0.3879310 0.5560345), wk = 0.0031847 k( 199) = ( 0.5603448 0.3793103 0.5603448), wk = 0.0031847 k( 200) = ( 0.5646552 0.3706897 0.5646552), wk = 0.0031847 k( 201) = ( 0.5689655 0.3620690 0.5689655), wk = 0.0031847 k( 202) = ( 0.5732759 0.3534483 0.5732759), wk = 0.0031847 k( 203) = ( 0.5775862 0.3448276 0.5775862), wk = 0.0031847 k( 204) = ( 0.5818965 0.3362069 0.5818965), wk = 0.0031847 k( 205) = ( 0.5862069 0.3275862 0.5862069), wk = 0.0031847 k( 206) = ( 0.5905172 0.3189655 0.5905172), wk = 0.0031847 k( 207) = ( 0.5948276 0.3103448 0.5948276), wk = 0.0031847 k( 208) = ( 0.5991379 0.3017241 0.5991379), wk = 0.0031847 k( 209) = ( 0.6034483 0.2931034 0.6034483), wk = 0.0031847 k( 210) = ( 0.6077586 0.2844828 0.6077586), wk = 0.0031847 k( 211) = ( 0.6120690 0.2758621 0.6120690), wk = 0.0031847 k( 212) = ( 0.6163793 0.2672414 0.6163793), wk = 0.0031847 k( 213) = ( 0.6206897 0.2586207 0.6206897), wk = 0.0031847 k( 214) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031847 k( 215) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031847 k( 216) = ( 0.6176471 0.2500000 0.6323529), wk = 0.0031847 k( 217) = ( 0.6102941 0.2500000 0.6397059), wk = 0.0031847 k( 218) = ( 0.6029412 0.2500000 0.6470588), wk = 0.0031847 k( 219) = ( 0.5955882 0.2500000 0.6544118), wk = 0.0031847 k( 220) = ( 0.5882353 0.2500000 0.6617647), wk = 0.0031847 k( 221) = ( 0.5808823 0.2500000 0.6691177), wk = 0.0031847 k( 222) = ( 0.5735294 0.2500000 0.6764706), wk = 0.0031847 k( 223) = ( 0.5661765 0.2500000 0.6838235), wk = 0.0031847 k( 224) = ( 0.5588235 0.2500000 0.6911765), wk = 0.0031847 k( 225) = ( 0.5514706 0.2500000 0.6985294), wk = 0.0031847 k( 226) = ( 0.5441177 0.2500000 0.7058824), wk = 0.0031847 k( 227) = ( 0.5367647 0.2500000 0.7132353), wk = 0.0031847 k( 228) = ( 0.5294118 0.2500000 0.7205882), wk = 0.0031847 k( 229) = ( 0.5220588 0.2500000 0.7279412), wk = 0.0031847 k( 230) = ( 0.5147059 0.2500000 0.7352941), wk = 0.0031847 k( 231) = ( 0.5073529 0.2500000 0.7426471), wk = 0.0031847 k( 232) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031847 k( 233) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031847 k( 234) = ( 0.5000000 0.2575758 0.7424242), wk = 0.0031847 k( 235) = ( 0.5000000 0.2651515 0.7348485), wk = 0.0031847 k( 236) = ( 0.5000000 0.2727273 0.7272727), wk = 0.0031847 k( 237) = ( 0.5000000 0.2803030 0.7196970), wk = 0.0031847 k( 238) = ( 0.5000000 0.2878788 0.7121212), wk = 0.0031847 k( 239) = ( 0.5000000 0.2954546 0.7045455), wk = 0.0031847 k( 240) = ( 0.5000000 0.3030303 0.6969697), wk = 0.0031847 k( 241) = ( 0.5000000 0.3106061 0.6893939), wk = 0.0031847 k( 242) = ( 0.5000000 0.3181818 0.6818182), wk = 0.0031847 k( 243) = ( 0.5000000 0.3257576 0.6742424), wk = 0.0031847 k( 244) = ( 0.5000000 0.3333333 0.6666667), wk = 0.0031847 k( 245) = ( 0.5000000 0.3409091 0.6590909), wk = 0.0031847 k( 246) = ( 0.5000000 0.3484849 0.6515152), wk = 0.0031847 k( 247) = ( 0.5000000 0.3560606 0.6439394), wk = 0.0031847 k( 248) = ( 0.5000000 0.3636364 0.6363636), wk = 0.0031847 k( 249) = ( 0.5000000 0.3712121 0.6287879), wk = 0.0031847 k( 250) = ( 0.5000000 0.3787879 0.6212121), wk = 0.0031847 k( 251) = ( 0.5000000 0.3863636 0.6136364), wk = 0.0031847 k( 252) = ( 0.5000000 0.3939394 0.6060606), wk = 0.0031847 k( 253) = ( 0.5000000 0.4015152 0.5984849), wk = 0.0031847 k( 254) = ( 0.5000000 0.4090909 0.5909091), wk = 0.0031847 k( 255) = ( 0.5000000 0.4166667 0.5833333), wk = 0.0031847 k( 256) = ( 0.5000000 0.4242424 0.5757576), wk = 0.0031847 k( 257) = ( 0.5000000 0.4318182 0.5681818), wk = 0.0031847 k( 258) = ( 0.5000000 0.4393939 0.5606061), wk = 0.0031847 k( 259) = ( 0.5000000 0.4469697 0.5530303), wk = 0.0031847 k( 260) = ( 0.5000000 0.4545455 0.5454546), wk = 0.0031847 k( 261) = ( 0.5000000 0.4621212 0.5378788), wk = 0.0031847 k( 262) = ( 0.5000000 0.4696970 0.5303030), wk = 0.0031847 k( 263) = ( 0.5000000 0.4772727 0.5227273), wk = 0.0031847 k( 264) = ( 0.5000000 0.4848485 0.5151515), wk = 0.0031847 k( 265) = ( 0.5000000 0.4924242 0.5075758), wk = 0.0031847 k( 266) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031847 k( 267) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031847 k( 268) = ( 0.4956897 0.4956897 0.5086207), wk = 0.0031847 k( 269) = ( 0.4913793 0.4913793 0.5172414), wk = 0.0031847 k( 270) = ( 0.4870690 0.4870690 0.5258621), wk = 0.0031847 k( 271) = ( 0.4827586 0.4827586 0.5344828), wk = 0.0031847 k( 272) = ( 0.4784483 0.4784483 0.5431035), wk = 0.0031847 k( 273) = ( 0.4741379 0.4741379 0.5517241), wk = 0.0031847 k( 274) = ( 0.4698276 0.4698276 0.5603448), wk = 0.0031847 k( 275) = ( 0.4655172 0.4655172 0.5689655), wk = 0.0031847 k( 276) = ( 0.4612069 0.4612069 0.5775862), wk = 0.0031847 k( 277) = ( 0.4568966 0.4568966 0.5862069), wk = 0.0031847 k( 278) = ( 0.4525862 0.4525862 0.5948276), wk = 0.0031847 k( 279) = ( 0.4482759 0.4482759 0.6034483), wk = 0.0031847 k( 280) = ( 0.4439655 0.4439655 0.6120690), wk = 0.0031847 k( 281) = ( 0.4396552 0.4396552 0.6206897), wk = 0.0031847 k( 282) = ( 0.4353448 0.4353448 0.6293103), wk = 0.0031847 k( 283) = ( 0.4310345 0.4310345 0.6379310), wk = 0.0031847 k( 284) = ( 0.4267241 0.4267241 0.6465517), wk = 0.0031847 k( 285) = ( 0.4224138 0.4224138 0.6551724), wk = 0.0031847 k( 286) = ( 0.4181034 0.4181034 0.6637931), wk = 0.0031847 k( 287) = ( 0.4137931 0.4137931 0.6724138), wk = 0.0031847 k( 288) = ( 0.4094828 0.4094828 0.6810345), wk = 0.0031847 k( 289) = ( 0.4051724 0.4051724 0.6896552), wk = 0.0031847 k( 290) = ( 0.4008621 0.4008621 0.6982759), wk = 0.0031847 k( 291) = ( 0.3965517 0.3965517 0.7068966), wk = 0.0031847 k( 292) = ( 0.3922414 0.3922414 0.7155172), wk = 0.0031847 k( 293) = ( 0.3879310 0.3879310 0.7241379), wk = 0.0031847 k( 294) = ( 0.3836207 0.3836207 0.7327586), wk = 0.0031847 k( 295) = ( 0.3793103 0.3793103 0.7413793), wk = 0.0031847 k( 296) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031847 k( 297) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031847 k( 298) = ( 0.6176471 0.2352941 0.6176471), wk = 0.0031847 k( 299) = ( 0.6102941 0.2205882 0.6102941), wk = 0.0031847 k( 300) = ( 0.6029412 0.2058823 0.6029412), wk = 0.0031847 k( 301) = ( 0.5955882 0.1911765 0.5955882), wk = 0.0031847 k( 302) = ( 0.5882353 0.1764706 0.5882353), wk = 0.0031847 k( 303) = ( 0.5808823 0.1617647 0.5808823), wk = 0.0031847 k( 304) = ( 0.5735294 0.1470588 0.5735294), wk = 0.0031847 k( 305) = ( 0.5661765 0.1323529 0.5661765), wk = 0.0031847 k( 306) = ( 0.5588235 0.1176471 0.5588235), wk = 0.0031847 k( 307) = ( 0.5514706 0.1029412 0.5514706), wk = 0.0031847 k( 308) = ( 0.5441177 0.0882353 0.5441177), wk = 0.0031847 k( 309) = ( 0.5367647 0.0735294 0.5367647), wk = 0.0031847 k( 310) = ( 0.5294118 0.0588235 0.5294118), wk = 0.0031847 k( 311) = ( 0.5220588 0.0441176 0.5220588), wk = 0.0031847 k( 312) = ( 0.5147059 0.0294118 0.5147059), wk = 0.0031847 k( 313) = ( 0.5073529 0.0147059 0.5073529), wk = 0.0031847 k( 314) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031847 Dense grid: 85083 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 72497 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.32 Mb ( 524, 40) NL pseudopotentials 0.38 Mb ( 262, 96) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2363) G-vector shells 0.00 Mb ( 537) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.28 Mb ( 524, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.12 Mb ( 96, 2, 40) The potential is recalculated from file : ./Li2AgBi.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.1 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 4.2 secs Computing kpt #: 4 total cpu time spent up to now is 4.8 secs Computing kpt #: 5 total cpu time spent up to now is 5.4 secs Computing kpt #: 6 total cpu time spent up to now is 6.0 secs Computing kpt #: 7 total cpu time spent up to now is 6.5 secs Computing kpt #: 8 total cpu time spent up to now is 7.1 secs Computing kpt #: 9 total cpu time spent up to now is 7.7 secs Computing kpt #: 10 total cpu time spent up to now is 8.3 secs Computing kpt #: 11 total cpu time spent up to now is 8.9 secs Computing kpt #: 12 total cpu time spent up to now is 9.5 secs Computing kpt #: 13 total cpu time spent up to now is 10.1 secs Computing kpt #: 14 total cpu time spent up to now is 10.7 secs Computing kpt #: 15 total cpu time spent up to now is 11.4 secs Computing kpt #: 16 total cpu time spent up to now is 12.0 secs Computing kpt #: 17 total cpu time spent up to now is 12.6 secs Computing kpt #: 18 total cpu time spent up to now is 13.2 secs Computing kpt #: 19 total cpu time spent up to now is 13.8 secs Computing kpt #: 20 total cpu time spent up to now is 14.4 secs Computing kpt #: 21 total cpu time spent up to now is 14.9 secs Computing kpt #: 22 total cpu time spent up to now is 15.5 secs Computing kpt #: 23 total cpu time spent up to now is 16.1 secs Computing kpt #: 24 total cpu time spent up to now is 16.7 secs Computing kpt #: 25 total cpu time spent up to now is 17.2 secs Computing kpt #: 26 total cpu time spent up to now is 17.8 secs Computing kpt #: 27 total cpu time spent up to now is 18.4 secs Computing kpt #: 28 total cpu time spent up to now is 18.9 secs Computing kpt #: 29 total cpu time spent up to now is 19.5 secs Computing kpt #: 30 total cpu time spent up to now is 20.2 secs Computing kpt #: 31 total cpu time spent up to now is 20.9 secs Computing kpt #: 32 total cpu time spent up to now is 21.5 secs Computing kpt #: 33 total cpu time spent up to now is 22.2 secs Computing kpt #: 34 total cpu time spent up to now is 22.9 secs Computing kpt #: 35 total cpu time spent up to now is 23.6 secs Computing kpt #: 36 total cpu time spent up to now is 24.2 secs Computing kpt #: 37 total cpu time spent up to now is 24.9 secs Computing kpt #: 38 total cpu time spent up to now is 25.5 secs Computing kpt #: 39 total cpu time spent up to now is 26.2 secs Computing kpt #: 40 total cpu time spent up to now is 26.9 secs Computing kpt #: 41 total cpu time spent up to now is 27.8 secs Computing kpt #: 42 total cpu time spent up to now is 28.5 secs Computing kpt #: 43 total cpu time spent up to now is 29.2 secs Computing kpt #: 44 total cpu time spent up to now is 29.8 secs Computing kpt #: 45 total cpu time spent up to now is 30.5 secs Computing kpt #: 46 total cpu time spent up to now is 31.1 secs Computing kpt #: 47 total cpu time spent up to now is 31.7 secs Computing kpt #: 48 total cpu time spent up to now is 32.3 secs Computing kpt #: 49 total cpu time spent up to now is 33.0 secs Computing kpt #: 50 total cpu time spent up to now is 33.6 secs Computing kpt #: 51 total cpu time spent up to now is 34.3 secs Computing kpt #: 52 total cpu time spent up to now is 35.0 secs Computing kpt #: 53 total cpu time spent up to now is 35.6 secs Computing kpt #: 54 total cpu time spent up to now is 36.3 secs Computing kpt #: 55 total cpu time spent up to now is 37.0 secs Computing kpt #: 56 total cpu time spent up to now is 37.6 secs Computing kpt #: 57 total cpu time spent up to now is 38.3 secs Computing kpt #: 58 total cpu time spent up to now is 39.0 secs Computing kpt #: 59 total cpu time spent up to now is 39.6 secs Computing kpt #: 60 total cpu time spent up to now is 40.2 secs Computing kpt #: 61 total cpu time spent up to now is 40.7 secs Computing kpt #: 62 total cpu time spent up to now is 41.3 secs Computing kpt #: 63 total cpu time spent up to now is 41.9 secs Computing kpt #: 64 total cpu time spent up to now is 42.5 secs Computing kpt #: 65 total cpu time spent up to now is 43.1 secs Computing kpt #: 66 total cpu time spent up to now is 43.6 secs Computing kpt #: 67 total cpu time spent up to now is 44.2 secs Computing kpt #: 68 total cpu time spent up to now is 44.7 secs Computing kpt #: 69 total cpu time spent up to now is 45.3 secs Computing kpt #: 70 total cpu time spent up to now is 45.9 secs Computing kpt #: 71 total cpu time spent up to now is 46.5 secs Computing kpt #: 72 total cpu time spent up to now is 47.0 secs Computing kpt #: 73 total cpu time spent up to now is 47.5 secs Computing kpt #: 74 total cpu time spent up to now is 48.1 secs Computing kpt #: 75 total cpu time spent up to now is 48.7 secs Computing kpt #: 76 total cpu time spent up to now is 49.2 secs Computing kpt #: 77 total cpu time spent up to now is 49.7 secs Computing kpt #: 78 total cpu time spent up to now is 50.3 secs Computing kpt #: 79 total cpu time spent up to now is 50.8 secs Computing kpt #: 80 total cpu time spent up to now is 51.5 secs Computing kpt #: 81 total cpu time spent up to now is 52.1 secs Computing kpt #: 82 total cpu time spent up to now is 52.6 secs Computing kpt #: 83 total cpu time spent up to now is 53.3 secs Computing kpt #: 84 total cpu time spent up to now is 53.8 secs Computing kpt #: 85 total cpu time spent up to now is 54.5 secs Computing kpt #: 86 total cpu time spent up to now is 55.1 secs Computing kpt #: 87 total cpu time spent up to now is 55.7 secs Computing kpt #: 88 total cpu time spent up to now is 56.3 secs Computing kpt #: 89 total cpu time spent up to now is 56.9 secs Computing kpt #: 90 total cpu time spent up to now is 57.5 secs Computing kpt #: 91 total cpu time spent up to now is 58.1 secs Computing kpt #: 92 total cpu time spent up to now is 58.6 secs Computing kpt #: 93 total cpu time spent up to now is 59.2 secs Computing kpt #: 94 total cpu time spent up to now is 59.9 secs Computing kpt #: 95 total cpu time spent up to now is 60.4 secs Computing kpt #: 96 total cpu time spent up to now is 61.0 secs Computing kpt #: 97 total cpu time spent up to now is 61.7 secs Computing kpt #: 98 total cpu time spent up to now is 62.3 secs Computing kpt #: 99 total cpu time spent up to now is 62.8 secs Computing kpt #: 100 total cpu time spent up to now is 63.5 secs Computing kpt #: 101 total cpu time spent up to now is 64.1 secs Computing kpt #: 102 total cpu time spent up to now is 64.7 secs Computing kpt #: 103 total cpu time spent up to now is 65.2 secs Computing kpt #: 104 total cpu time spent up to now is 65.8 secs Computing kpt #: 105 total cpu time spent up to now is 66.5 secs Computing kpt #: 106 total cpu time spent up to now is 67.1 secs Computing kpt #: 107 total cpu time spent up to now is 67.7 secs Computing kpt #: 108 total cpu time spent up to now is 68.3 secs Computing kpt #: 109 total cpu time spent up to now is 68.9 secs Computing kpt #: 110 total cpu time spent up to now is 69.6 secs Computing kpt #: 111 total cpu time spent up to now is 70.1 secs Computing kpt #: 112 total cpu time spent up to now is 70.8 secs Computing kpt #: 113 total cpu time spent up to now is 71.4 secs Computing kpt #: 114 total cpu time spent up to now is 72.0 secs Computing kpt #: 115 total cpu time spent up to now is 72.6 secs Computing kpt #: 116 total cpu time spent up to now is 73.2 secs Computing kpt #: 117 total cpu time spent up to now is 73.8 secs Computing kpt #: 118 total cpu time spent up to now is 74.4 secs Computing kpt #: 119 total cpu time spent up to now is 75.0 secs Computing kpt #: 120 total cpu time spent up to now is 75.6 secs Computing kpt #: 121 total cpu time spent up to now is 76.3 secs Computing kpt #: 122 total cpu time spent up to now is 76.9 secs Computing kpt #: 123 total cpu time spent up to now is 77.6 secs Computing kpt #: 124 total cpu time spent up to now is 78.2 secs Computing kpt #: 125 total cpu time spent up to now is 78.8 secs Computing kpt #: 126 total cpu time spent up to now is 79.4 secs Computing kpt #: 127 total cpu time spent up to now is 80.0 secs Computing kpt #: 128 total cpu time spent up to now is 80.5 secs Computing kpt #: 129 total cpu time spent up to now is 81.1 secs Computing kpt #: 130 total cpu time spent up to now is 81.7 secs Computing kpt #: 131 total cpu time spent up to now is 82.3 secs Computing kpt #: 132 total cpu time spent up to now is 82.9 secs Computing kpt #: 133 total cpu time spent up to now is 83.4 secs Computing kpt #: 134 total cpu time spent up to now is 84.0 secs Computing kpt #: 135 total cpu time spent up to now is 84.7 secs Computing kpt #: 136 total cpu time spent up to now is 85.3 secs Computing kpt #: 137 total cpu time spent up to now is 85.8 secs Computing kpt #: 138 total cpu time spent up to now is 86.4 secs Computing kpt #: 139 total cpu time spent up to now is 86.9 secs Computing kpt #: 140 total cpu time spent up to now is 87.5 secs Computing kpt #: 141 total cpu time spent up to now is 88.1 secs Computing kpt #: 142 total cpu time spent up to now is 88.7 secs Computing kpt #: 143 total cpu time spent up to now is 89.3 secs Computing kpt #: 144 total cpu time spent up to now is 89.9 secs Computing kpt #: 145 total cpu time spent up to now is 90.5 secs Computing kpt #: 146 total cpu time spent up to now is 91.0 secs Computing kpt #: 147 total cpu time spent up to now is 91.6 secs Computing kpt #: 148 total cpu time spent up to now is 92.1 secs Computing kpt #: 149 total cpu time spent up to now is 92.7 secs Computing kpt #: 150 total cpu time spent up to now is 93.3 secs Computing kpt #: 151 total cpu time spent up to now is 93.9 secs Computing kpt #: 152 total cpu time spent up to now is 94.4 secs Computing kpt #: 153 total cpu time spent up to now is 95.1 secs Computing kpt #: 154 total cpu time spent up to now is 95.6 secs Computing kpt #: 155 total cpu time spent up to now is 96.3 secs Computing kpt #: 156 total cpu time spent up to now is 96.9 secs Computing kpt #: 157 total cpu time spent up to now is 97.5 secs Computing kpt #: 158 total cpu time spent up to now is 98.1 secs Computing kpt #: 159 total cpu time spent up to now is 98.7 secs Computing kpt #: 160 total cpu time spent up to now is 99.3 secs Computing kpt #: 161 total cpu time spent up to now is 99.9 secs Computing kpt #: 162 total cpu time spent up to now is 100.5 secs Computing kpt #: 163 total cpu time spent up to now is 101.0 secs Computing kpt #: 164 total cpu time spent up to now is 101.7 secs Computing kpt #: 165 total cpu time spent up to now is 102.3 secs Computing kpt #: 166 total cpu time spent up to now is 102.9 secs Computing kpt #: 167 total cpu time spent up to now is 103.5 secs Computing kpt #: 168 total cpu time spent up to now is 104.1 secs Computing kpt #: 169 total cpu time spent up to now is 104.7 secs Computing kpt #: 170 total cpu time spent up to now is 105.3 secs Computing kpt #: 171 total cpu time spent up to now is 105.9 secs Computing kpt #: 172 total cpu time spent up to now is 106.5 secs Computing kpt #: 173 total cpu time spent up to now is 107.1 secs Computing kpt #: 174 total cpu time spent up to now is 107.7 secs Computing kpt #: 175 total cpu time spent up to now is 108.3 secs Computing kpt #: 176 total cpu time spent up to now is 108.8 secs Computing kpt #: 177 total cpu time spent up to now is 109.5 secs Computing kpt #: 178 total cpu time spent up to now is 110.1 secs Computing kpt #: 179 total cpu time spent up to now is 110.7 secs Computing kpt #: 180 total cpu time spent up to now is 111.3 secs Computing kpt #: 181 total cpu time spent up to now is 111.8 secs Computing kpt #: 182 total cpu time spent up to now is 112.4 secs Computing kpt #: 183 total cpu time spent up to now is 112.9 secs Computing kpt #: 184 total cpu time spent up to now is 113.4 secs Computing kpt #: 185 total cpu time spent up to now is 114.0 secs Computing kpt #: 186 total cpu time spent up to now is 114.6 secs Computing kpt #: 187 total cpu time spent up to now is 115.1 secs Computing kpt #: 188 total cpu time spent up to now is 115.7 secs Computing kpt #: 189 total cpu time spent up to now is 116.3 secs Computing kpt #: 190 total cpu time spent up to now is 116.9 secs Computing kpt #: 191 total cpu time spent up to now is 117.4 secs Computing kpt #: 192 total cpu time spent up to now is 118.0 secs Computing kpt #: 193 total cpu time spent up to now is 118.6 secs Computing kpt #: 194 total cpu time spent up to now is 119.2 secs Computing kpt #: 195 total cpu time spent up to now is 119.8 secs Computing kpt #: 196 total cpu time spent up to now is 120.4 secs Computing kpt #: 197 total cpu time spent up to now is 121.0 secs Computing kpt #: 198 total cpu time spent up to now is 121.6 secs Computing kpt #: 199 total cpu time spent up to now is 122.2 secs Computing kpt #: 200 total cpu time spent up to now is 122.7 secs Computing kpt #: 201 total cpu time spent up to now is 123.4 secs Computing kpt #: 202 total cpu time spent up to now is 123.9 secs Computing kpt #: 203 total cpu time spent up to now is 124.5 secs Computing kpt #: 204 total cpu time spent up to now is 125.1 secs Computing kpt #: 205 total cpu time spent up to now is 125.7 secs Computing kpt #: 206 total cpu time spent up to now is 126.3 secs Computing kpt #: 207 total cpu time spent up to now is 126.9 secs Computing kpt #: 208 total cpu time spent up to now is 127.5 secs Computing kpt #: 209 total cpu time spent up to now is 128.1 secs Computing kpt #: 210 total cpu time spent up to now is 128.7 secs Computing kpt #: 211 total cpu time spent up to now is 129.3 secs Computing kpt #: 212 total cpu time spent up to now is 129.9 secs Computing kpt #: 213 total cpu time spent up to now is 130.5 secs Computing kpt #: 214 total cpu time spent up to now is 131.1 secs Computing kpt #: 215 total cpu time spent up to now is 131.7 secs Computing kpt #: 216 total cpu time spent up to now is 132.3 secs Computing kpt #: 217 total cpu time spent up to now is 132.9 secs Computing kpt #: 218 total cpu time spent up to now is 133.5 secs Computing kpt #: 219 total cpu time spent up to now is 134.1 secs Computing kpt #: 220 total cpu time spent up to now is 134.8 secs Computing kpt #: 221 total cpu time spent up to now is 135.3 secs Computing kpt #: 222 total cpu time spent up to now is 136.0 secs Computing kpt #: 223 total cpu time spent up to now is 136.6 secs Computing kpt #: 224 total cpu time spent up to now is 137.2 secs Computing kpt #: 225 total cpu time spent up to now is 137.7 secs Computing kpt #: 226 total cpu time spent up to now is 138.3 secs Computing kpt #: 227 total cpu time spent up to now is 138.9 secs Computing kpt #: 228 total cpu time spent up to now is 139.4 secs Computing kpt #: 229 total cpu time spent up to now is 140.1 secs Computing kpt #: 230 total cpu time spent up to now is 140.9 secs Computing kpt #: 231 total cpu time spent up to now is 141.6 secs Computing kpt #: 232 total cpu time spent up to now is 142.2 secs Computing kpt #: 233 total cpu time spent up to now is 142.7 secs Computing kpt #: 234 total cpu time spent up to now is 143.3 secs Computing kpt #: 235 total cpu time spent up to now is 143.8 secs Computing kpt #: 236 total cpu time spent up to now is 144.4 secs Computing kpt #: 237 total cpu time spent up to now is 145.0 secs Computing kpt #: 238 total cpu time spent up to now is 145.5 secs Computing kpt #: 239 total cpu time spent up to now is 146.0 secs Computing kpt #: 240 total cpu time spent up to now is 146.7 secs Computing kpt #: 241 total cpu time spent up to now is 147.3 secs Computing kpt #: 242 total cpu time spent up to now is 147.9 secs Computing kpt #: 243 total cpu time spent up to now is 148.5 secs Computing kpt #: 244 total cpu time spent up to now is 149.1 secs Computing kpt #: 245 total cpu time spent up to now is 149.8 secs Computing kpt #: 246 total cpu time spent up to now is 150.4 secs Computing kpt #: 247 total cpu time spent up to now is 151.0 secs Computing kpt #: 248 total cpu time spent up to now is 151.5 secs Computing kpt #: 249 total cpu time spent up to now is 152.1 secs Computing kpt #: 250 total cpu time spent up to now is 152.7 secs Computing kpt #: 251 total cpu time spent up to now is 153.3 secs Computing kpt #: 252 total cpu time spent up to now is 154.0 secs Computing kpt #: 253 total cpu time spent up to now is 154.7 secs Computing kpt #: 254 total cpu time spent up to now is 155.4 secs Computing kpt #: 255 total cpu time spent up to now is 156.1 secs Computing kpt #: 256 total cpu time spent up to now is 156.8 secs Computing kpt #: 257 total cpu time spent up to now is 157.4 secs Computing kpt #: 258 total cpu time spent up to now is 157.9 secs Computing kpt #: 259 total cpu time spent up to now is 158.5 secs Computing kpt #: 260 total cpu time spent up to now is 159.1 secs Computing kpt #: 261 total cpu time spent up to now is 159.7 secs Computing kpt #: 262 total cpu time spent up to now is 160.2 secs Computing kpt #: 263 total cpu time spent up to now is 160.8 secs Computing kpt #: 264 total cpu time spent up to now is 161.3 secs Computing kpt #: 265 total cpu time spent up to now is 161.8 secs Computing kpt #: 266 total cpu time spent up to now is 162.3 secs Computing kpt #: 267 total cpu time spent up to now is 162.9 secs Computing kpt #: 268 total cpu time spent up to now is 163.4 secs Computing kpt #: 269 total cpu time spent up to now is 163.9 secs Computing kpt #: 270 total cpu time spent up to now is 164.5 secs Computing kpt #: 271 total cpu time spent up to now is 165.1 secs Computing kpt #: 272 total cpu time spent up to now is 165.7 secs Computing kpt #: 273 total cpu time spent up to now is 166.2 secs Computing kpt #: 274 total cpu time spent up to now is 166.7 secs Computing kpt #: 275 total cpu time spent up to now is 167.3 secs Computing kpt #: 276 total cpu time spent up to now is 168.0 secs Computing kpt #: 277 total cpu time spent up to now is 168.5 secs Computing kpt #: 278 total cpu time spent up to now is 169.2 secs Computing kpt #: 279 total cpu time spent up to now is 169.8 secs Computing kpt #: 280 total cpu time spent up to now is 170.4 secs Computing kpt #: 281 total cpu time spent up to now is 171.0 secs Computing kpt #: 282 total cpu time spent up to now is 171.5 secs Computing kpt #: 283 total cpu time spent up to now is 172.2 secs Computing kpt #: 284 total cpu time spent up to now is 172.8 secs Computing kpt #: 285 total cpu time spent up to now is 173.4 secs Computing kpt #: 286 total cpu time spent up to now is 174.0 secs Computing kpt #: 287 total cpu time spent up to now is 174.5 secs Computing kpt #: 288 total cpu time spent up to now is 175.1 secs Computing kpt #: 289 total cpu time spent up to now is 175.7 secs Computing kpt #: 290 total cpu time spent up to now is 176.3 secs Computing kpt #: 291 total cpu time spent up to now is 176.9 secs Computing kpt #: 292 total cpu time spent up to now is 177.5 secs Computing kpt #: 293 total cpu time spent up to now is 178.1 secs Computing kpt #: 294 total cpu time spent up to now is 178.7 secs Computing kpt #: 295 total cpu time spent up to now is 179.3 secs Computing kpt #: 296 total cpu time spent up to now is 179.9 secs Computing kpt #: 297 total cpu time spent up to now is 180.5 secs Computing kpt #: 298 total cpu time spent up to now is 181.1 secs Computing kpt #: 299 total cpu time spent up to now is 181.7 secs Computing kpt #: 300 total cpu time spent up to now is 182.3 secs Computing kpt #: 301 total cpu time spent up to now is 183.0 secs Computing kpt #: 302 total cpu time spent up to now is 183.6 secs Computing kpt #: 303 total cpu time spent up to now is 184.3 secs Computing kpt #: 304 total cpu time spent up to now is 184.9 secs Computing kpt #: 305 total cpu time spent up to now is 185.6 secs Computing kpt #: 306 total cpu time spent up to now is 186.2 secs Computing kpt #: 307 total cpu time spent up to now is 186.7 secs Computing kpt #: 308 total cpu time spent up to now is 187.4 secs Computing kpt #: 309 total cpu time spent up to now is 188.1 secs Computing kpt #: 310 total cpu time spent up to now is 188.7 secs Computing kpt #: 311 total cpu time spent up to now is 189.4 secs Computing kpt #: 312 total cpu time spent up to now is 190.0 secs Computing kpt #: 313 total cpu time spent up to now is 190.6 secs Computing kpt #: 314 total cpu time spent up to now is 191.2 secs ethr = 3.13E-08, avg # of iterations = 18.0 total cpu time spent up to now is 191.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9185 PWs) bands (ev): -38.3101 -38.3101 -38.2492 -38.2492 -15.1792 -15.1792 -15.1792 -15.1792 -12.2204 -12.2204 -12.2016 -12.2016 -12.2016 -12.2016 -2.6515 -2.6515 3.3222 3.3222 3.3222 3.3222 3.4281 3.4281 4.0696 4.0696 4.0696 4.0696 8.0465 8.0465 8.3609 8.3609 9.8923 9.8923 9.8923 9.8923 11.3170 11.3170 11.4150 11.4150 11.4150 11.4150 k = 0.0106-0.0061 0.0087 ( 9185 PWs) bands (ev): -38.3101 -38.3101 -38.2492 -38.2492 -15.1792 -15.1792 -15.1791 -15.1791 -12.2204 -12.2204 -12.2016 -12.2016 -12.2016 -12.2016 -2.6508 -2.6508 3.3211 3.3211 3.3236 3.3236 3.4282 3.4282 4.0680 4.0680 4.0710 4.0710 8.0324 8.0324 8.3663 8.3663 9.8793 9.8793 9.8950 9.8950 11.3237 11.3237 11.4184 11.4184 11.4223 11.4223 k = 0.0213-0.0123 0.0174 ( 9197 PWs) bands (ev): -38.3101 -38.3101 -38.2492 -38.2492 -15.1792 -15.1792 -15.1791 -15.1791 -12.2203 -12.2203 -12.2017 -12.2017 -12.2015 -12.2015 -2.6488 -2.6488 3.3200 3.3200 3.3251 3.3251 3.4285 3.4285 4.0662 4.0662 4.0722 4.0722 7.9941 7.9941 8.3788 8.3788 9.8420 9.8420 9.9030 9.9030 11.3376 11.3376 11.4319 11.4319 11.4460 11.4460 k = 0.0319-0.0184 0.0261 ( 9201 PWs) bands (ev): -38.3101 -38.3101 -38.2492 -38.2492 -15.1792 -15.1792 -15.1791 -15.1791 -12.2203 -12.2203 -12.2017 -12.2017 -12.2015 -12.2015 -2.6453 -2.6453 3.3192 3.3192 3.3268 3.3268 3.4290 3.4290 4.0641 4.0641 4.0733 4.0733 7.9388 7.9388 8.3907 8.3907 9.7838 9.7838 9.9172 9.9172 11.3462 11.3462 11.4592 11.4592 11.4905 11.4905 k = 0.0426-0.0246 0.0347 ( 9201 PWs) bands (ev): -38.3101 -38.3101 -38.2492 -38.2492 -15.1792 -15.1792 -15.1791 -15.1791 -12.2203 -12.2203 -12.2017 -12.2017 -12.2014 -12.2014 -2.6405 -2.6405 3.3184 3.3184 3.3287 3.3287 3.4298 3.4298 4.0617 4.0617 4.0743 4.0743 7.8723 7.8723 8.3963 8.3963 9.7090 9.7090 9.9386 9.9386 11.3454 11.3454 11.4982 11.4982 11.5563 11.5563 k = 0.0532-0.0307 0.0434 ( 9193 PWs) bands (ev): -38.3101 -38.3101 -38.2492 -38.2492 -15.1792 -15.1792 -15.1790 -15.1790 -12.2202 -12.2202 -12.2017 -12.2017 -12.2013 -12.2013 -2.6343 -2.6343 3.3178 3.3178 3.3307 3.3307 3.4308 3.4308 4.0589 4.0589 4.0753 4.0753 7.7984 7.7984 8.3920 8.3920 9.6218 9.6218 9.9680 9.9680 11.3382 11.3382 11.5462 11.5462 11.6378 11.6378 k = 0.0638-0.0369 0.0521 ( 9169 PWs) bands (ev): -38.3101 -38.3101 -38.2492 -38.2492 -15.1792 -15.1792 -15.1790 -15.1790 -12.2201 -12.2201 -12.2017 -12.2017 -12.2013 -12.2013 -2.6267 -2.6267 3.3171 3.3171 3.3329 3.3329 3.4322 3.4322 4.0559 4.0559 4.0763 4.0763 7.7194 7.7194 8.3762 8.3762 9.5256 9.5256 10.0059 10.0059 11.3269 11.3269 11.6017 11.6017 11.7293 11.7293 k = 0.0745-0.0430 0.0608 ( 9161 PWs) bands (ev): -38.3100 -38.3100 -38.2492 -38.2492 -15.1792 -15.1792 -15.1789 -15.1789 -12.2201 -12.2201 -12.2017 -12.2017 -12.2012 -12.2012 -2.6179 -2.6179 3.3164 3.3164 3.3353 3.3353 3.4339 3.4339 4.0525 4.0525 4.0774 4.0774 7.6367 7.6367 8.3485 8.3485 9.4231 9.4231 10.0518 10.0518 11.3125 11.3125 11.6632 11.6632 11.8270 11.8270 k = 0.0851-0.0491 0.0695 ( 9141 PWs) bands (ev): -38.3100 -38.3100 -38.2492 -38.2492 -15.1792 -15.1792 -15.1789 -15.1789 -12.2200 -12.2200 -12.2017 -12.2017 -12.2011 -12.2011 -2.6077 -2.6077 3.3157 3.3157 3.3379 3.3379 3.4362 3.4362 4.0489 4.0489 4.0784 4.0784 7.5514 7.5514 8.3096 8.3096 9.3162 9.3162 10.1050 10.1050 11.2955 11.2955 11.7297 11.7297 11.9281 11.9281 k = 0.0957-0.0553 0.0782 ( 9149 PWs) bands (ev): -38.3100 -38.3100 -38.2493 -38.2493 -15.1792 -15.1792 -15.1788 -15.1788 -12.2199 -12.2199 -12.2017 -12.2017 -12.2010 -12.2010 -2.5963 -2.5963 3.3147 3.3147 3.3407 3.3407 3.4389 3.4389 4.0449 4.0449 4.0796 4.0796 7.4641 7.4641 8.2606 8.2606 9.2066 9.2066 10.1640 10.1641 11.2759 11.2759 11.8000 11.8000 12.0307 12.0307 k = 0.1064-0.0614 0.0869 ( 9137 PWs) bands (ev): -38.3099 -38.3099 -38.2493 -38.2493 -15.1791 -15.1791 -15.1788 -15.1788 -12.2198 -12.2198 -12.2017 -12.2017 -12.2009 -12.2009 -2.5836 -2.5836 3.3135 3.3135 3.3438 3.3438 3.4422 3.4422 4.0407 4.0407 4.0808 4.0808 7.3755 7.3755 8.2028 8.2028 9.0952 9.0952 10.2271 10.2271 11.2535 11.2535 11.8725 11.8725 12.1333 12.1333 k = 0.1170-0.0676 0.0955 ( 9141 PWs) bands (ev): -38.3099 -38.3099 -38.2493 -38.2493 -15.1791 -15.1791 -15.1787 -15.1787 -12.2197 -12.2197 -12.2016 -12.2016 -12.2009 -12.2009 -2.5697 -2.5697 3.3120 3.3120 3.3472 3.3472 3.4461 3.4461 4.0363 4.0363 4.0821 4.0821 7.2858 7.2858 8.1377 8.1377 8.9830 8.9830 10.2923 10.2923 11.2279 11.2279 11.9449 11.9449 12.2338 12.2338 k = 0.1277-0.0737 0.1042 ( 9149 PWs) bands (ev): -38.3099 -38.3099 -38.2494 -38.2494 -15.1791 -15.1791 -15.1786 -15.1786 -12.2196 -12.2196 -12.2016 -12.2016 -12.2008 -12.2008 -2.5546 -2.5546 3.3101 3.3101 3.3510 3.3510 3.4506 3.4506 4.0317 4.0317 4.0835 4.0835 7.1954 7.1954 8.0665 8.0665 8.8705 8.8705 10.3572 10.3572 11.1981 11.1981 12.0100 12.0100 12.2537 12.2537 k = 0.1383-0.0798 0.1129 ( 9141 PWs) bands (ev): -38.3098 -38.3098 -38.2494 -38.2494 -15.1790 -15.1790 -15.1786 -15.1786 -12.2194 -12.2194 -12.2016 -12.2016 -12.2006 -12.2006 -2.5384 -2.5384 3.3078 3.3078 3.3551 3.3551 3.4557 3.4557 4.0270 4.0270 4.0850 4.0850 7.1045 7.1045 7.9904 7.9904 8.7584 8.7584 10.4198 10.4198 11.1630 11.1630 12.0443 12.0443 12.2292 12.2292 k = 0.1489-0.0860 0.1216 ( 9133 PWs) bands (ev): -38.3098 -38.3098 -38.2495 -38.2495 -15.1790 -15.1790 -15.1785 -15.1785 -12.2193 -12.2193 -12.2015 -12.2015 -12.2005 -12.2005 -2.5211 -2.5211 3.3050 3.3050 3.3597 3.3597 3.4615 3.4615 4.0223 4.0223 4.0867 4.0867 7.0134 7.0134 7.9105 7.9105 8.6469 8.6469 10.4775 10.4775 11.1212 11.1212 12.0303 12.0303 12.2714 12.2714 k = 0.1596-0.0921 0.1303 ( 9121 PWs) bands (ev): -38.3097 -38.3097 -38.2495 -38.2495 -15.1790 -15.1790 -15.1784 -15.1784 -12.2192 -12.2192 -12.2015 -12.2015 -12.2004 -12.2004 -2.5028 -2.5028 3.3018 3.3018 3.3646 3.3646 3.4679 3.4679 4.0176 4.0176 4.0885 4.0885 6.9221 6.9221 7.8276 7.8276 8.5365 8.5365 10.5282 10.5282 11.0718 11.0718 12.0050 12.0050 12.3481 12.3481 k = 0.1702-0.0983 0.1390 ( 9125 PWs) bands (ev): -38.3097 -38.3097 -38.2496 -38.2496 -15.1789 -15.1789 -15.1784 -15.1784 -12.2190 -12.2190 -12.2015 -12.2015 -12.2003 -12.2003 -2.4835 -2.4835 3.2981 3.2981 3.3700 3.3700 3.4748 3.4748 4.0130 4.0130 4.0904 4.0904 6.8309 6.8309 7.7425 7.7425 8.4273 8.4273 10.5696 10.5696 11.0149 11.0149 11.9928 11.9928 12.4374 12.4374 k = 0.1809-0.1044 0.1477 ( 9109 PWs) bands (ev): -38.3096 -38.3096 -38.2496 -38.2496 -15.1789 -15.1789 -15.1783 -15.1783 -12.2189 -12.2189 -12.2014 -12.2014 -12.2002 -12.2002 -2.4633 -2.4633 3.2940 3.2940 3.3758 3.3758 3.4823 3.4823 4.0085 4.0085 4.0925 4.0925 6.7399 6.7399 7.6559 7.6559 8.3197 8.3197 10.5995 10.5995 10.9523 10.9523 11.9999 11.9999 12.5337 12.5337 k = 0.1915-0.1106 0.1564 ( 9113 PWs) bands (ev): -38.3096 -38.3096 -38.2497 -38.2497 -15.1788 -15.1788 -15.1782 -15.1782 -12.2187 -12.2187 -12.2014 -12.2014 -12.2001 -12.2001 -2.4422 -2.4422 3.2894 3.2894 3.3821 3.3821 3.4904 3.4904 4.0043 4.0043 4.0948 4.0948 6.6491 6.6491 7.5683 7.5683 8.2138 8.2138 10.6150 10.6150 10.8881 10.8881 12.0269 12.0269 12.6354 12.6354 k = 0.2021-0.1167 0.1650 ( 9117 PWs) bands (ev): -38.3095 -38.3095 -38.2497 -38.2497 -15.1788 -15.1788 -15.1781 -15.1781 -12.2186 -12.2186 -12.2013 -12.2013 -12.1999 -12.1999 -2.4203 -2.4203 3.2845 3.2845 3.3888 3.3888 3.4989 3.4989 4.0005 4.0005 4.0973 4.0973 6.5587 6.5587 7.4801 7.4801 8.1097 8.1097 10.6113 10.6113 10.8297 10.8297 12.0719 12.0719 12.7421 12.7421 k = 0.2128-0.1228 0.1737 ( 9125 PWs) bands (ev): -38.3094 -38.3094 -38.2498 -38.2498 -15.1787 -15.1787 -15.1781 -15.1781 -12.2184 -12.2184 -12.2013 -12.2013 -12.1998 -12.1998 -2.3977 -2.3977 3.2791 3.2791 3.3959 3.3959 3.5078 3.5078 3.9971 3.9971 4.1000 4.1000 6.4688 6.4688 7.3918 7.3918 8.0077 8.0077 10.5817 10.5817 10.7866 10.7866 12.1323 12.1323 12.8536 12.8536 k = 0.2234-0.1290 0.1824 ( 9129 PWs) bands (ev): -38.3094 -38.3094 -38.2498 -38.2498 -15.1787 -15.1787 -15.1780 -15.1780 -12.2183 -12.2183 -12.2012 -12.2012 -12.1997 -12.1997 -2.3745 -2.3745 3.2733 3.2733 3.4035 3.4035 3.5172 3.5172 3.9942 3.9942 4.1028 4.1028 6.3795 6.3795 7.3036 7.3036 7.9079 7.9079 10.5270 10.5270 10.7611 10.7611 12.2052 12.2052 12.9701 12.9701 k = 0.2340-0.1351 0.1911 ( 9129 PWs) bands (ev): -38.3093 -38.3093 -38.2499 -38.2499 -15.1786 -15.1786 -15.1779 -15.1779 -12.2181 -12.2181 -12.2011 -12.2011 -12.1995 -12.1995 -2.3507 -2.3507 3.2672 3.2672 3.4115 3.4115 3.5268 3.5268 3.9919 3.9919 4.1059 4.1059 6.2910 6.2910 7.2161 7.2161 7.8104 7.8104 10.4570 10.4570 10.7458 10.7458 12.2878 12.2878 13.0915 13.0915 k = 0.2447-0.1413 0.1998 ( 9141 PWs) bands (ev): -38.3093 -38.3093 -38.2499 -38.2499 -15.1786 -15.1786 -15.1778 -15.1778 -12.2180 -12.2180 -12.2011 -12.2011 -12.1994 -12.1994 -2.3265 -2.3265 3.2607 3.2607 3.4200 3.4200 3.5367 3.5367 3.9904 3.9904 4.1092 4.1092 6.2032 6.2032 7.1293 7.1293 7.7153 7.7153 10.3804 10.3804 10.7343 10.7343 12.3781 12.3781 13.2180 13.2180 k = 0.2553-0.1474 0.2085 ( 9141 PWs) bands (ev): -38.3092 -38.3092 -38.2500 -38.2500 -15.1785 -15.1785 -15.1778 -15.1778 -12.2178 -12.2178 -12.2010 -12.2010 -12.1992 -12.1992 -2.3019 -2.3019 3.2539 3.2539 3.4288 3.4288 3.5468 3.5468 3.9896 3.9896 4.1127 4.1127 6.1165 6.1165 7.0436 7.0436 7.6227 7.6227 10.3020 10.3020 10.7237 10.7237 12.4741 12.4741 13.3495 13.3495 k = 0.2660-0.1536 0.2172 ( 9109 PWs) bands (ev): -38.3091 -38.3091 -38.2500 -38.2500 -15.1784 -15.1784 -15.1777 -15.1777 -12.2176 -12.2176 -12.2009 -12.2009 -12.1991 -12.1991 -2.2771 -2.2771 3.2468 3.2468 3.4380 3.4380 3.5571 3.5571 3.9897 3.9897 4.1165 4.1165 6.0308 6.0308 6.9592 6.9592 7.5327 7.5327 10.2240 10.2240 10.7130 10.7130 12.5745 12.5745 13.4859 13.4859 k = 0.2766-0.1597 0.2258 ( 9117 PWs) bands (ev): -38.3091 -38.3091 -38.2501 -38.2501 -15.1784 -15.1784 -15.1776 -15.1776 -12.2175 -12.2175 -12.2009 -12.2009 -12.1989 -12.1989 -2.2521 -2.2521 3.2394 3.2394 3.4476 3.4476 3.5674 3.5674 3.9907 3.9907 4.1205 4.1205 5.9464 5.9464 6.8764 6.8764 7.4455 7.4455 10.1478 10.1478 10.7019 10.7019 12.6782 12.6782 13.6272 13.6272 k = 0.2872-0.1658 0.2345 ( 9116 PWs) bands (ev): -38.3090 -38.3090 -38.2501 -38.2501 -15.1783 -15.1783 -15.1775 -15.1775 -12.2173 -12.2173 -12.2008 -12.2008 -12.1988 -12.1988 -2.2270 -2.2270 3.2318 3.2318 3.4575 3.4575 3.5777 3.5777 3.9927 3.9927 4.1249 4.1249 5.8633 5.8633 6.7953 6.7953 7.3612 7.3612 10.0741 10.0741 10.6906 10.6906 12.7842 12.7842 13.7730 13.7730 k = 0.2979-0.1720 0.2432 ( 9108 PWs) bands (ev): -38.3090 -38.3090 -38.2502 -38.2502 -15.1783 -15.1783 -15.1775 -15.1775 -12.2172 -12.2172 -12.2008 -12.2008 -12.1986 -12.1986 -2.2020 -2.2020 3.2239 3.2239 3.4678 3.4678 3.5879 3.5879 3.9958 3.9958 4.1295 4.1295 5.7818 5.7818 6.7161 6.7161 7.2798 7.2798 10.0034 10.0034 10.6791 10.6791 12.8921 12.8921 13.9215 13.9215 k = 0.3085-0.1781 0.2519 ( 9100 PWs) bands (ev): -38.3089 -38.3089 -38.2502 -38.2502 -15.1782 -15.1782 -15.1774 -15.1774 -12.2171 -12.2171 -12.2007 -12.2007 -12.1985 -12.1985 -2.1772 -2.1772 3.2159 3.2159 3.4783 3.4783 3.5980 3.5980 3.9999 3.9999 4.1343 4.1343 5.7019 5.7019 6.6392 6.6392 7.2015 7.2015 9.9360 9.9360 10.6676 10.6676 13.0012 13.0012 14.0397 14.0397 k = 0.3191-0.1843 0.2606 ( 9108 PWs) bands (ev): -38.3088 -38.3088 -38.2503 -38.2503 -15.1782 -15.1782 -15.1773 -15.1773 -12.2169 -12.2169 -12.2006 -12.2006 -12.1983 -12.1983 -2.1527 -2.1527 3.2077 3.2077 3.4892 3.4892 3.6079 3.6079 4.0051 4.0051 4.1395 4.1395 5.6240 5.6240 6.5645 6.5645 7.1264 7.1264 9.8722 9.8722 10.6562 10.6562 13.1111 13.1111 14.1524 14.1524 k = 0.3298-0.1904 0.2693 ( 9092 PWs) bands (ev): -38.3088 -38.3088 -38.2503 -38.2503 -15.1781 -15.1781 -15.1772 -15.1772 -12.2168 -12.2168 -12.2006 -12.2006 -12.1982 -12.1982 -2.1287 -2.1287 3.1994 3.1994 3.5002 3.5002 3.6174 3.6174 4.0113 4.0113 4.1451 4.1451 5.5481 5.5481 6.4925 6.4925 7.0546 7.0546 9.8120 9.8120 10.6450 10.6450 13.2215 13.2215 14.2668 14.2668 k = 0.3404-0.1965 0.2780 ( 9092 PWs) bands (ev): -38.3087 -38.3087 -38.2504 -38.2504 -15.1781 -15.1781 -15.1772 -15.1772 -12.2167 -12.2167 -12.2005 -12.2005 -12.1981 -12.1981 -2.1052 -2.1052 3.1911 3.1911 3.5115 3.5115 3.6266 3.6266 4.0186 4.0186 4.1509 4.1509 5.4744 5.4744 6.4231 6.4231 6.9862 6.9862 9.7555 9.7555 10.6342 10.6342 13.3320 13.3320 14.3831 14.3831 k = 0.3511-0.2027 0.2866 ( 9104 PWs) bands (ev): -38.3087 -38.3087 -38.2504 -38.2504 -15.1780 -15.1780 -15.1771 -15.1771 -12.2166 -12.2166 -12.2005 -12.2005 -12.1979 -12.1979 -2.0824 -2.0824 3.1828 3.1828 3.5230 3.5230 3.6353 3.6353 4.0267 4.0267 4.1570 4.1570 5.4032 5.4032 6.3567 6.3567 6.9214 6.9214 9.7028 9.7028 10.6239 10.6239 13.4423 13.4423 14.5011 14.5011 k = 0.3617-0.2088 0.2953 ( 9096 PWs) bands (ev): -38.3086 -38.3086 -38.2505 -38.2505 -15.1780 -15.1780 -15.1771 -15.1771 -12.2165 -12.2165 -12.2004 -12.2004 -12.1978 -12.1978 -2.0605 -2.0605 3.1746 3.1746 3.5345 3.5345 3.6434 3.6434 4.0358 4.0358 4.1635 4.1635 5.3347 5.3347 6.2935 6.2935 6.8602 6.8602 9.6540 9.6540 10.6141 10.6141 13.5520 13.5520 14.6208 14.6208 k = 0.3723-0.2150 0.3040 ( 9092 PWs) bands (ev): -38.3086 -38.3086 -38.2505 -38.2505 -15.1779 -15.1779 -15.1770 -15.1770 -12.2164 -12.2164 -12.2004 -12.2004 -12.1977 -12.1977 -2.0395 -2.0395 3.1665 3.1665 3.5461 3.5461 3.6510 3.6510 4.0455 4.0455 4.1702 4.1702 5.2691 5.2691 6.2336 6.2336 6.8029 6.8029 9.6089 9.6089 10.6048 10.6048 13.6607 13.6607 14.7419 14.7419 k = 0.3830-0.2211 0.3127 ( 9092 PWs) bands (ev): -38.3085 -38.3085 -38.2506 -38.2506 -15.1779 -15.1779 -15.1769 -15.1769 -12.2163 -12.2163 -12.2003 -12.2003 -12.1976 -12.1976 -2.0196 -2.0196 3.1588 3.1588 3.5577 3.5577 3.6578 3.6578 4.0557 4.0557 4.1773 4.1773 5.2066 5.2066 6.1773 6.1773 6.7494 6.7494 9.5675 9.5675 10.5962 10.5962 13.7677 13.7677 14.8642 14.8642 k = 0.3936-0.2273 0.3214 ( 9080 PWs) bands (ev): -38.3085 -38.3085 -38.2506 -38.2506 -15.1778 -15.1778 -15.1769 -15.1769 -12.2162 -12.2162 -12.2003 -12.2003 -12.1974 -12.1974 -2.0009 -2.0009 3.1513 3.1513 3.5692 3.5692 3.6639 3.6639 4.0664 4.0664 4.1845 4.1845 5.1475 5.1475 6.1248 6.1248 6.7001 6.7001 9.5299 9.5299 10.5882 10.5882 13.8724 13.8724 14.9873 14.9873 k = 0.4043-0.2334 0.3301 ( 9072 PWs) bands (ev): -38.3085 -38.3085 -38.2506 -38.2506 -15.1778 -15.1778 -15.1769 -15.1769 -12.2161 -12.2161 -12.2002 -12.2002 -12.1973 -12.1973 -1.9835 -1.9835 3.1442 3.1442 3.5805 3.5805 3.6693 3.6693 4.0772 4.0772 4.1919 4.1919 5.0921 5.0921 6.0763 6.0763 6.6549 6.6549 9.4961 9.4961 10.5809 10.5809 13.9741 13.9741 15.1107 15.1107 k = 0.4149-0.2395 0.3388 ( 9072 PWs) bands (ev): -38.3084 -38.3084 -38.2507 -38.2507 -15.1778 -15.1778 -15.1768 -15.1768 -12.2160 -12.2160 -12.2002 -12.2002 -12.1973 -12.1973 -1.9677 -1.9677 3.1377 3.1377 3.5915 3.5915 3.6737 3.6737 4.0879 4.0879 4.1995 4.1995 5.0407 5.0407 6.0321 6.0321 6.6141 6.6141 9.4659 9.4659 10.5743 10.5743 14.0717 14.0717 15.2336 15.2336 k = 0.4255-0.2457 0.3474 ( 9068 PWs) bands (ev): -38.3084 -38.3084 -38.2507 -38.2507 -15.1777 -15.1777 -15.1768 -15.1768 -12.2160 -12.2160 -12.2002 -12.2002 -12.1972 -12.1972 -1.9534 -1.9534 3.1316 3.1316 3.6021 3.6021 3.6773 3.6773 4.0983 4.0983 4.2070 4.2070 4.9937 4.9937 5.9923 5.9923 6.5777 6.5777 9.4394 9.4394 10.5685 10.5685 14.1641 14.1641 15.3553 15.3553 k = 0.4362-0.2518 0.3561 ( 9072 PWs) bands (ev): -38.3084 -38.3084 -38.2507 -38.2507 -15.1777 -15.1777 -15.1767 -15.1767 -12.2159 -12.2159 -12.2002 -12.2002 -12.1971 -12.1971 -1.9408 -1.9408 3.1263 3.1263 3.6122 3.6122 3.6799 3.6799 4.1080 4.1080 4.2143 4.2143 4.9515 4.9515 5.9573 5.9573 6.5459 6.5459 9.4165 9.4165 10.5634 10.5634 14.2498 14.2498 15.4741 15.4741 k = 0.4468-0.2580 0.3648 ( 9076 PWs) bands (ev): -38.3084 -38.3084 -38.2507 -38.2507 -15.1777 -15.1777 -15.1767 -15.1767 -12.2159 -12.2159 -12.2001 -12.2001 -12.1970 -12.1970 -1.9299 -1.9299 3.1216 3.1216 3.6215 3.6215 3.6816 3.6816 4.1169 4.1169 4.2213 4.2213 4.9145 4.9145 5.9272 5.9272 6.5187 6.5187 9.3971 9.3971 10.5591 10.5591 14.3272 14.3272 15.5881 15.5881 k = 0.4574-0.2641 0.3735 ( 9072 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1777 -15.1777 -15.1767 -15.1767 -12.2158 -12.2158 -12.2001 -12.2001 -12.1970 -12.1970 -1.9209 -1.9209 3.1176 3.1176 3.6300 3.6300 3.6825 3.6825 4.1245 4.1245 4.2277 4.2277 4.8832 4.8832 5.9023 5.9023 6.4964 6.4964 9.3814 9.3814 10.5555 10.5555 14.3945 14.3945 15.6942 15.6942 k = 0.4681-0.2702 0.3822 ( 9044 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1776 -15.1776 -15.1767 -15.1767 -12.2158 -12.2158 -12.2001 -12.2001 -12.1969 -12.1969 -1.9139 -1.9139 3.1145 3.1145 3.6372 3.6372 3.6826 3.6826 4.1308 4.1308 4.2331 4.2331 4.8582 4.8582 5.8826 5.8826 6.4789 6.4789 9.3691 9.3691 10.5527 10.5527 14.4497 14.4497 15.7882 15.7882 k = 0.4787-0.2764 0.3909 ( 9052 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1776 -15.1776 -15.1767 -15.1767 -12.2158 -12.2158 -12.2001 -12.2001 -12.1969 -12.1969 -1.9088 -1.9088 3.1123 3.1123 3.6430 3.6430 3.6822 3.6822 4.1354 4.1354 4.2373 4.2373 4.8398 4.8398 5.8685 5.8685 6.4664 6.4664 9.3604 9.3604 10.5508 10.5508 14.4908 14.4908 15.8638 15.8638 k = 0.4894-0.2825 0.3996 ( 9060 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1776 -15.1776 -15.1766 -15.1766 -12.2158 -12.2158 -12.2001 -12.2001 -12.1969 -12.1969 -1.9057 -1.9057 3.1109 3.1109 3.6468 3.6468 3.6816 3.6816 4.1383 4.1383 4.2400 4.2400 4.8286 4.8286 5.8600 5.8600 6.4588 6.4588 9.3552 9.3552 10.5496 10.5496 14.5163 14.5163 15.9138 15.9138 k = 0.5000-0.2887 0.4082 ( 9064 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1776 -15.1776 -15.1766 -15.1766 -12.2158 -12.2158 -12.2001 -12.2001 -12.1969 -12.1969 -1.9047 -1.9047 3.1105 3.1105 3.6482 3.6482 3.6814 3.6814 4.1392 4.1392 4.2409 4.2409 4.8249 4.8249 5.8571 5.8571 6.4563 6.4563 9.3534 9.3534 10.5492 10.5492 14.5249 14.5249 15.9314 15.9314 k = 0.5000-0.2887 0.4082 ( 9064 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1776 -15.1776 -15.1766 -15.1766 -12.2158 -12.2158 -12.2001 -12.2001 -12.1969 -12.1969 -1.9047 -1.9047 3.1105 3.1105 3.6482 3.6482 3.6814 3.6814 4.1392 4.1392 4.2409 4.2409 4.8249 4.8249 5.8571 5.8571 6.4563 6.4563 9.3534 9.3534 10.5492 10.5492 14.5249 14.5249 15.9314 15.9314 k = 0.5000-0.2766 0.4168 ( 9060 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1776 -15.1776 -15.1767 -15.1766 -12.2158 -12.2158 -12.2001 -12.2000 -12.1969 -12.1969 -1.9049 -1.9045 3.1094 3.1131 3.6469 3.6489 3.6740 3.6892 4.1307 4.1477 4.2409 4.2411 4.8103 4.8377 5.8347 5.8776 6.4523 6.4573 9.3553 9.3607 10.5461 10.5615 14.5086 14.5298 15.9164 15.9216 k = 0.5000-0.2646 0.4253 ( 9056 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1777 -15.1776 -15.1767 -15.1766 -12.2158 -12.2157 -12.2002 -12.1999 -12.1970 -12.1969 -1.9051 -1.9043 3.1100 3.1174 3.6454 3.6484 3.6678 3.6971 4.1223 4.1560 4.2413 4.2413 4.7942 4.8486 5.8108 5.8959 6.4451 6.4552 9.3663 9.3772 10.5521 10.5828 14.4815 14.5227 15.8767 15.8905 k = 0.5000-0.2526 0.4338 ( 9048 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1777 -15.1776 -15.1768 -15.1765 -12.2157 -12.2157 -12.2002 -12.1999 -12.1970 -12.1968 -1.9054 -1.9042 3.1122 3.1233 3.6437 3.6457 3.6638 3.7049 4.1142 4.1639 4.2416 4.2423 4.7766 4.8576 5.7855 5.9119 6.4350 6.4503 9.3864 9.4026 10.5673 10.6131 14.4434 14.5020 15.8155 15.8438 k = 0.5000-0.2406 0.4423 ( 9054 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1777 -15.1775 -15.1768 -15.1765 -12.2157 -12.2157 -12.2003 -12.1998 -12.1970 -12.1969 -1.9057 -1.9040 3.1160 3.1308 3.6404 3.6419 3.6622 3.7125 4.1063 4.1709 4.2418 4.2441 4.7577 4.8645 5.7592 5.9254 6.4222 6.4429 9.4154 9.4367 10.5915 10.6522 14.3938 14.4662 15.7385 15.7881 k = 0.5000-0.2285 0.4508 ( 9070 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1777 -15.1775 -15.1768 -15.1765 -12.2157 -12.2157 -12.2003 -12.1997 -12.1971 -12.1969 -1.9060 -1.9039 3.1214 3.1398 3.6336 3.6401 3.6622 3.7198 4.0989 4.1766 4.2420 4.2472 4.7377 4.8695 5.7322 5.9361 6.4070 6.4333 9.4529 9.4792 10.6245 10.6997 14.3321 14.4139 15.6522 15.7296 k = 0.5000-0.2165 0.4593 ( 9082 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1777 -15.1775 -15.1769 -15.1765 -12.2157 -12.2157 -12.2004 -12.1997 -12.1972 -12.1969 -1.9063 -1.9039 3.1283 3.1504 3.6263 3.6383 3.6626 3.7265 4.0918 4.1806 4.2420 4.2519 4.7168 4.8724 5.7049 5.9440 6.3897 6.4221 9.4987 9.5296 10.6662 10.7554 14.2576 14.3440 15.5621 15.6731 k = 0.5000-0.2045 0.4678 ( 9084 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1777 -15.1775 -15.1769 -15.1764 -12.2157 -12.2156 -12.2004 -12.1996 -12.1972 -12.1969 -1.9066 -1.9038 3.1367 3.1625 3.6187 3.6365 3.6632 3.7326 4.0853 4.1827 4.2420 4.2583 4.6953 4.8733 5.6776 5.9490 6.3707 6.4097 9.5524 9.5877 10.7160 10.8190 14.1701 14.2566 15.4725 15.6208 k = 0.5000-0.1925 0.4763 ( 9092 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1777 -15.1775 -15.1770 -15.1764 -12.2157 -12.2156 -12.2005 -12.1995 -12.1973 -12.1969 -1.9069 -1.9038 3.1465 3.1759 3.6110 3.6348 3.6637 3.7379 4.0793 4.1831 4.2419 4.2663 4.6733 4.8723 5.6505 5.9512 6.3505 6.3966 9.6135 9.6528 10.7737 10.8900 14.0698 14.1530 15.3854 15.5717 k = 0.5000-0.1804 0.4848 ( 9092 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1778 -15.1775 -15.1770 -15.1764 -12.2156 -12.2156 -12.2005 -12.1995 -12.1974 -12.1970 -1.9073 -1.9038 3.1576 3.1907 3.6033 3.6331 3.6641 3.7421 4.0738 4.1818 4.2416 4.2755 4.6513 4.8695 5.6240 5.9505 6.3295 6.3833 9.6816 9.7246 10.8387 10.9682 13.9578 14.0353 15.3009 15.5195 k = 0.5000-0.1684 0.4933 ( 9092 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1778 -15.1774 -15.1771 -15.1764 -12.2156 -12.2155 -12.2005 -12.1994 -12.1975 -12.1970 -1.9076 -1.9038 3.1701 3.2068 3.5956 3.6315 3.6643 3.7452 4.0690 4.1791 4.2413 4.2857 4.6294 4.8651 5.5983 5.9470 6.3081 6.3703 9.7561 9.8026 10.9106 11.0531 13.8357 13.9061 15.2171 15.4519 k = 0.5000-0.1564 0.5018 ( 9088 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1778 -15.1774 -15.1771 -15.1763 -12.2156 -12.2155 -12.2006 -12.1993 -12.1976 -12.1971 -1.9079 -1.9038 3.1838 3.2240 3.5878 3.6299 3.6643 3.7470 4.0648 4.1754 4.2408 4.2964 4.6078 4.8594 5.5736 5.9411 6.2867 6.3578 9.8367 9.8862 10.9886 11.1441 13.7053 13.7681 15.1299 15.3542 k = 0.5000-0.1443 0.5103 ( 9100 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1778 -15.1774 -15.1771 -15.1763 -12.2155 -12.2155 -12.2006 -12.1992 -12.1977 -12.1971 -1.9083 -1.9038 3.1986 3.2423 3.5799 3.6285 3.6641 3.7473 4.0612 4.1707 4.2402 4.3075 4.5870 4.8525 5.5500 5.9329 6.2657 6.3463 9.9227 9.9750 11.0720 11.2409 13.5690 13.6239 15.0342 15.2255 k = 0.5000-0.1323 0.5188 ( 9084 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1778 -15.1774 -15.1772 -15.1763 -12.2155 -12.2154 -12.2006 -12.1992 -12.1977 -12.1972 -1.9086 -1.9038 3.2143 3.2615 3.5719 3.6271 3.6636 3.7459 4.0583 4.1652 4.2396 4.3187 4.5671 4.8448 5.5278 5.9229 6.2454 6.3358 10.0137 10.0683 11.1598 11.3429 13.4289 13.4756 14.9258 15.0769 k = 0.5000-0.1203 0.5273 ( 9088 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1778 -15.1773 -15.1772 -15.1763 -12.2155 -12.2154 -12.2006 -12.1991 -12.1978 -12.1973 -1.9089 -1.9039 3.2310 3.2814 3.5636 3.6258 3.6628 3.7429 4.0561 4.1590 4.2388 4.3298 4.5484 4.8365 5.5071 5.9115 6.2260 6.3264 10.1089 10.1656 11.2510 11.4493 13.2874 13.3254 14.8035 14.9183 k = 0.5000-0.1083 0.5358 ( 9092 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1777 -15.1773 -15.1773 -15.1763 -12.2154 -12.2153 -12.2006 -12.1990 -12.1979 -12.1973 -1.9092 -1.9039 3.2483 3.3019 3.5550 3.6247 3.6618 3.7382 4.0545 4.1525 4.2380 4.3406 4.5311 4.8281 5.4879 5.8992 6.2079 6.3182 10.2078 10.2661 11.3440 11.5595 13.1466 13.1748 14.6701 14.7558 k = 0.5000-0.0962 0.5443 ( 9078 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1777 -15.1773 -15.1773 -15.1762 -12.2154 -12.2153 -12.2006 -12.1989 -12.1980 -12.1974 -1.9094 -1.9040 3.2661 3.3226 3.5461 3.6236 3.6607 3.7319 4.0534 4.1456 4.2372 4.3509 4.5153 4.8197 5.4704 5.8865 6.1913 6.3111 10.3094 10.3690 11.4369 11.6725 13.0091 13.0257 14.5303 14.5931 k = 0.5000-0.0842 0.5528 ( 9084 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1777 -15.1773 -15.1773 -15.1762 -12.2154 -12.2153 -12.2006 -12.1989 -12.1980 -12.1975 -1.9097 -1.9040 3.2843 3.3434 3.5368 3.6227 3.6594 3.7241 4.0528 4.1387 4.2364 4.3607 4.5012 4.8117 5.4546 5.8739 6.1763 6.3050 10.4127 10.4731 11.5269 11.7869 12.8779 12.8798 14.3889 14.4329 k = 0.5000-0.0722 0.5613 ( 9086 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1777 -15.1774 -15.1773 -15.1762 -12.2153 -12.2152 -12.2006 -12.1988 -12.1981 -12.1975 -1.9099 -1.9041 3.3025 3.3637 3.5269 3.6220 3.6581 3.7151 4.0525 4.1320 4.2356 4.3697 4.4888 4.8044 5.4407 5.8620 6.1630 6.3000 10.5164 10.5769 11.6104 11.9013 12.7391 12.7569 14.2502 14.2779 k = 0.5000-0.0601 0.5698 ( 9074 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1777 -15.1774 -15.1773 -15.1762 -12.2153 -12.2152 -12.2006 -12.1987 -12.1982 -12.1976 -1.9101 -1.9041 3.3204 3.3831 3.5167 3.6213 3.6567 3.7053 4.0525 4.1257 4.2348 4.3778 4.4782 4.7978 5.4287 5.8511 6.1517 6.2958 10.6183 10.6784 11.6820 12.0131 12.6062 12.6512 14.1186 14.1308 k = 0.5000-0.0481 0.5784 ( 9086 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1777 -15.1775 -15.1773 -15.1762 -12.2153 -12.2152 -12.2006 -12.1986 -12.1982 -12.1977 -1.9102 -1.9042 3.3376 3.4011 3.5063 3.6208 3.6555 3.6953 4.0526 4.1202 4.2342 4.3848 4.4693 4.7923 5.4187 5.8416 6.1423 6.2925 10.7158 10.7746 11.7352 12.1188 12.4844 12.5671 13.9955 13.9984 k = 0.5000-0.0361 0.5869 ( 9076 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1777 -15.1775 -15.1773 -15.1762 -12.2153 -12.2152 -12.2006 -12.1986 -12.1983 -12.1977 -1.9104 -1.9042 3.3534 3.4167 3.4960 3.6205 3.6544 3.6858 4.0528 4.1155 4.2336 4.3907 4.4622 4.7879 5.4109 5.8338 6.1350 6.2900 10.8044 10.8610 11.7648 12.2123 12.3797 12.5101 13.8769 13.8948 k = 0.5000-0.0241 0.5954 ( 9088 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1776 -15.1775 -15.1773 -15.1762 -12.2153 -12.2152 -12.2006 -12.1985 -12.1983 -12.1978 -1.9105 -1.9042 3.3668 3.4290 3.4867 3.6203 3.6536 3.6778 4.0530 4.1121 4.2332 4.3951 4.4570 4.7846 5.4052 5.8281 6.1297 6.2883 10.8778 10.9316 11.7719 12.2655 12.3195 12.4800 13.7821 13.8137 k = 0.5000-0.0120 0.6039 ( 9086 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1776 -15.1775 -15.1773 -15.1762 -12.2153 -12.2152 -12.2006 -12.1985 -12.1983 -12.1978 -1.9105 -1.9042 3.3762 3.4370 3.4798 3.6202 3.6531 3.6724 4.0531 4.1099 4.2329 4.3979 4.4538 4.7827 5.4018 5.8246 6.1265 6.2872 10.9277 10.9789 11.7666 12.2276 12.3538 12.4691 13.7197 13.7615 k = 0.5000-0.0000 0.6124 ( 9076 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1776 -15.1776 -15.1773 -15.1762 -12.2153 -12.2151 -12.2006 -12.1985 -12.1983 -12.1978 -1.9105 -1.9042 3.3797 3.4397 3.4772 3.6202 3.6529 3.6704 4.0532 4.1092 4.2329 4.3989 4.4527 4.7820 5.4007 5.8235 6.1255 6.2869 10.9456 10.9956 11.7627 12.2093 12.3711 12.4670 13.6978 13.7434 k = 0.5000-0.0000 0.6124 ( 9076 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1776 -15.1776 -15.1773 -15.1762 -12.2153 -12.2151 -12.2006 -12.1985 -12.1983 -12.1978 -1.9105 -1.9042 3.3797 3.4397 3.4772 3.6202 3.6529 3.6704 4.0532 4.1092 4.2329 4.3989 4.4527 4.7820 5.4007 5.8235 6.1255 6.2869 10.9456 10.9956 11.7627 12.2093 12.3711 12.4670 13.6978 13.7434 k = 0.4926 0.0127 0.6124 ( 9084 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1776 -15.1776 -15.1773 -15.1762 -12.2153 -12.2152 -12.2006 -12.1985 -12.1983 -12.1978 -1.9107 -1.9045 3.3779 3.4380 3.4788 3.6198 3.6531 3.6717 4.0532 4.1095 4.2330 4.3981 4.4523 4.7824 5.3995 5.8277 6.1251 6.2922 10.9344 10.9841 11.7653 12.2153 12.3597 12.4785 13.7091 13.7560 k = 0.4853 0.0255 0.6124 ( 9088 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1776 -15.1775 -15.1772 -15.1762 -12.2153 -12.2152 -12.2006 -12.1985 -12.1983 -12.1978 -1.9113 -1.9051 3.3729 3.4327 3.4837 3.6188 3.6539 3.6752 4.0534 4.1101 4.2333 4.3961 4.4506 4.7831 5.3955 5.8391 6.1255 6.3076 10.9001 10.9487 11.7753 12.2308 12.3418 12.5035 13.7409 13.7916 k = 0.4779 0.0382 0.6124 ( 9086 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1777 -15.1775 -15.1772 -15.1762 -12.2153 -12.2152 -12.2007 -12.1985 -12.1984 -12.1977 -1.9123 -1.9060 3.3654 3.4247 3.4910 3.6174 3.6552 3.6804 4.0540 4.1112 4.2340 4.3933 4.4474 4.7835 5.3891 5.8547 6.1302 6.3317 10.8436 10.8909 11.7929 12.2439 12.3408 12.5353 13.7898 13.8462 k = 0.4706 0.0509 0.6124 ( 9086 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1777 -15.1775 -15.1772 -15.1762 -12.2153 -12.2152 -12.2007 -12.1986 -12.1984 -12.1977 -1.9134 -1.9073 3.3561 3.4150 3.4996 3.6160 3.6569 3.6868 4.0551 4.1125 4.2352 4.3900 4.4425 4.7833 5.3809 5.8701 6.1434 6.3626 10.7678 10.8149 11.8158 12.2399 12.3735 12.5741 13.8528 13.9160 k = 0.4632 0.0637 0.6124 ( 9084 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1777 -15.1775 -15.1772 -15.1762 -12.2153 -12.2152 -12.2007 -12.1986 -12.1984 -12.1976 -1.9148 -1.9087 3.3456 3.4042 3.5087 3.6148 3.6587 3.6941 4.0566 4.1142 4.2367 4.3864 4.4360 4.7819 5.3719 5.8815 6.1683 6.3989 10.6775 10.7256 11.8403 12.2262 12.4313 12.6216 13.9266 13.9979 k = 0.4559 0.0764 0.6124 ( 9083 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1777 -15.1775 -15.1772 -15.1762 -12.2154 -12.2152 -12.2007 -12.1986 -12.1984 -12.1975 -1.9163 -1.9103 3.3346 3.3929 3.5179 3.6140 3.6603 3.7019 4.0585 4.1162 4.2387 4.3825 4.4281 4.7792 5.3629 5.8870 6.2055 6.4393 10.5776 10.6274 11.8634 12.2113 12.5031 12.6791 14.0080 14.0892 k = 0.4485 0.0891 0.6124 ( 9087 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1778 -15.1774 -15.1772 -15.1762 -12.2154 -12.2152 -12.2007 -12.1987 -12.1984 -12.1975 -1.9179 -1.9119 3.3235 3.3816 3.5268 3.6136 3.6619 3.7097 4.0607 4.1187 4.2411 4.3786 4.4190 4.7750 5.3545 5.8872 6.2532 6.4825 10.4726 10.5242 11.8834 12.1975 12.5841 12.7471 14.0934 14.1880 k = 0.4412 0.1019 0.6124 ( 9087 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1778 -15.1774 -15.1772 -15.1763 -12.2154 -12.2152 -12.2008 -12.1987 -12.1984 -12.1974 -1.9195 -1.9136 3.3126 3.3705 3.5353 3.6137 3.6632 3.7175 4.0631 4.1219 4.2439 4.3746 4.4091 4.7694 5.3472 5.8837 6.3083 6.5273 10.3665 10.4195 11.8994 12.1854 12.6712 12.8250 14.1782 14.2926 k = 0.4338 0.1146 0.6124 ( 9090 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1778 -15.1774 -15.1772 -15.1763 -12.2154 -12.2152 -12.2008 -12.1988 -12.1984 -12.1974 -1.9210 -1.9153 3.3023 3.3600 3.5430 3.6142 3.6643 3.7248 4.0655 4.1257 4.2469 4.3705 4.3989 4.7626 5.3409 5.8783 6.3678 6.5723 10.2626 10.3162 11.9116 12.1748 12.7625 12.9114 14.2551 14.4016 k = 0.4265 0.1274 0.6124 ( 9081 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1779 -15.1774 -15.1772 -15.1763 -12.2154 -12.2153 -12.2008 -12.1988 -12.1984 -12.1973 -1.9225 -1.9169 3.2927 3.3503 3.5499 3.6152 3.6652 3.7316 4.0678 4.1302 4.2500 4.3663 4.3887 4.7550 5.3359 5.8719 6.4289 6.6161 10.1636 10.2170 11.9205 12.1658 12.8560 13.0045 14.3134 14.5136 k = 0.4191 0.1401 0.6124 ( 9093 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1779 -15.1774 -15.1772 -15.1763 -12.2155 -12.2153 -12.2008 -12.1988 -12.1984 -12.1973 -1.9239 -1.9183 3.2841 3.3415 3.5559 3.6165 3.6658 3.7376 4.0697 4.1355 4.2530 4.3618 4.3793 4.7471 5.3320 5.8655 6.4893 6.6572 10.0721 10.1244 11.9268 12.1581 12.9502 13.1020 14.3412 14.6268 k = 0.4118 0.1528 0.6124 ( 9087 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1779 -15.1774 -15.1772 -15.1763 -12.2155 -12.2153 -12.2008 -12.1989 -12.1984 -12.1972 -1.9251 -1.9196 3.2765 3.3339 3.5608 3.6180 3.6663 3.7429 4.0714 4.1413 4.2555 4.3569 4.3713 4.7392 5.3290 5.8596 6.5467 6.6941 9.9904 10.0407 11.9311 12.1516 13.0430 13.2013 14.3352 14.7185 k = 0.4044 0.1656 0.6124 ( 9089 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1779 -15.1774 -15.1772 -15.1763 -12.2155 -12.2153 -12.2009 -12.1989 -12.1984 -12.1972 -1.9262 -1.9207 3.2702 3.3274 3.5647 3.6196 3.6666 3.7472 4.0727 4.1473 4.2572 4.3519 4.3651 4.7319 5.3268 5.8544 6.5990 6.7252 9.9206 9.9682 11.9339 12.1464 13.1317 13.2987 14.3060 14.6325 k = 0.3971 0.1783 0.6124 ( 9081 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2507 -15.1779 -15.1774 -15.1772 -15.1763 -12.2155 -12.2153 -12.2009 -12.1989 -12.1983 -12.1972 -1.9270 -1.9216 3.2652 3.3224 3.5677 3.6211 3.6668 3.7507 4.0736 4.1530 4.2581 4.3473 4.3605 4.7257 5.3253 5.8502 6.6441 6.7493 9.8644 9.9090 11.9357 12.1424 13.2126 13.3891 14.2693 14.5183 k = 0.3897 0.1910 0.6124 ( 9075 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2507 -15.1779 -15.1774 -15.1772 -15.1763 -12.2155 -12.2153 -12.2009 -12.1989 -12.1983 -12.1971 -1.9276 -1.9223 3.2616 3.3187 3.5697 3.6224 3.6668 3.7531 4.0743 4.1579 4.2581 4.3441 4.3571 4.7209 5.3243 5.8471 6.6796 6.7657 9.8233 9.8649 11.9367 12.1396 13.2798 13.4653 14.2407 14.4131 k = 0.3824 0.2038 0.6124 ( 9080 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2507 -15.1779 -15.1774 -15.1772 -15.1763 -12.2155 -12.2153 -12.2009 -12.1989 -12.1983 -12.1971 -1.9280 -1.9227 3.2594 3.3165 3.5709 3.6232 3.6668 3.7546 4.0746 4.1613 4.2577 4.3422 4.3550 4.7179 5.3238 5.8452 6.7030 6.7746 9.7983 9.8377 11.9373 12.1379 13.3259 13.5173 14.2350 14.3252 k = 0.3750 0.2165 0.6124 ( 9078 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2507 -15.1779 -15.1774 -15.1772 -15.1763 -12.2155 -12.2153 -12.2009 -12.1989 -12.1983 -12.1971 -1.9281 -1.9228 3.2587 3.3157 3.5713 3.6235 3.6668 3.7551 4.0748 4.1625 4.2575 4.3417 4.3543 4.7169 5.3236 5.8445 6.7112 6.7772 9.7899 9.8285 11.9375 12.1373 13.3425 13.5360 14.2570 14.2692 k = 0.3750 0.2165 0.6124 ( 9078 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2507 -15.1779 -15.1774 -15.1772 -15.1763 -12.2155 -12.2153 -12.2009 -12.1989 -12.1983 -12.1971 -1.9281 -1.9228 3.2587 3.3157 3.5713 3.6235 3.6668 3.7551 4.0748 4.1625 4.2575 4.3417 4.3543 4.7169 5.3236 5.8445 6.7112 6.7772 9.7899 9.8285 11.9375 12.1373 13.3425 13.5360 14.2570 14.2692 k = 0.3675 0.2122 0.6001 ( 9090 PWs) bands (ev): -38.3084 -38.3084 -38.2507 -38.2507 -15.1780 -15.1774 -15.1772 -15.1763 -12.2155 -12.2153 -12.2009 -12.1989 -12.1984 -12.1971 -1.9329 -1.9275 3.2720 3.3292 3.5714 3.6195 3.6673 3.7524 4.0786 4.1593 4.2358 4.3333 4.3496 4.6979 5.3237 5.8399 6.7701 6.8322 9.8089 9.8435 12.0904 12.3052 13.2583 13.4451 14.1443 14.1514 k = 0.3600 0.2078 0.5879 ( 9098 PWs) bands (ev): -38.3084 -38.3084 -38.2507 -38.2507 -15.1780 -15.1774 -15.1772 -15.1763 -12.2156 -12.2153 -12.2010 -12.1990 -12.1985 -12.1972 -1.9384 -1.9329 3.2848 3.3410 3.5726 3.6153 3.6666 3.7490 4.0822 4.1559 4.2045 4.3374 4.3389 4.6872 5.3299 5.8394 6.8318 6.8903 9.8267 9.8571 12.2386 12.4733 13.1812 13.3557 14.0357 14.0362 k = 0.3525 0.2035 0.5756 ( 9096 PWs) bands (ev): -38.3084 -38.3084 -38.2507 -38.2507 -15.1780 -15.1775 -15.1771 -15.1763 -12.2156 -12.2153 -12.2011 -12.1991 -12.1985 -12.1972 -1.9447 -1.9391 3.2968 3.3509 3.5745 3.6109 3.6644 3.7450 4.0842 4.1522 4.1720 4.3182 4.3520 4.6858 5.3415 5.8432 6.8963 6.9514 9.8433 9.8693 12.3751 12.6374 13.1160 13.2695 13.9238 13.9325 k = 0.3450 0.1992 0.5634 ( 9106 PWs) bands (ev): -38.3084 -38.3084 -38.2507 -38.2507 -15.1781 -15.1775 -15.1771 -15.1763 -12.2156 -12.2153 -12.2011 -12.1992 -12.1985 -12.1972 -1.9517 -1.9462 3.3082 3.3589 3.5769 3.6063 3.6603 3.7406 4.0813 4.1448 4.1476 4.2941 4.3703 4.6933 5.3583 5.8514 6.9632 7.0151 9.8591 9.8805 12.4875 12.7895 13.0730 13.1906 13.8149 13.8371 k = 0.3375 0.1949 0.5511 ( 9118 PWs) bands (ev): -38.3084 -38.3084 -38.2507 -38.2507 -15.1781 -15.1776 -15.1771 -15.1764 -12.2156 -12.2153 -12.2012 -12.1993 -12.1984 -12.1972 -1.9597 -1.9541 3.3186 3.3650 3.5791 3.6015 3.6539 3.7357 4.0682 4.1297 4.1415 4.2682 4.3930 4.7085 5.3800 5.8642 7.0323 7.0814 9.8739 9.8906 12.5572 12.9053 13.0677 13.1365 13.7102 13.7539 k = 0.3300 0.1905 0.5389 ( 9108 PWs) bands (ev): -38.3084 -38.3084 -38.2507 -38.2507 -15.1781 -15.1776 -15.1771 -15.1764 -12.2157 -12.2153 -12.2012 -12.1994 -12.1984 -12.1972 -1.9685 -1.9630 3.3282 3.3693 3.5804 3.5970 3.6450 3.7304 4.0466 4.1257 4.1329 4.2437 4.4199 4.7299 5.4065 5.8816 7.1035 7.1500 9.8879 9.8998 12.5722 12.9248 13.1073 13.1540 13.6112 13.6924 k = 0.3225 0.1862 0.5266 ( 9096 PWs) bands (ev): -38.3085 -38.3085 -38.2507 -38.2507 -15.1782 -15.1776 -15.1771 -15.1764 -12.2157 -12.2154 -12.2013 -12.1996 -12.1984 -12.1972 -1.9782 -1.9728 3.3369 3.3721 3.5795 3.5933 3.6335 3.7246 4.0235 4.1206 4.1262 4.2235 4.4511 4.7564 5.4377 5.9037 7.1765 7.2208 9.9011 9.9080 12.5454 12.8695 13.1717 13.1998 13.5224 13.6685 k = 0.3150 0.1819 0.5144 ( 9104 PWs) bands (ev): -38.3085 -38.3085 -38.2506 -38.2506 -15.1782 -15.1777 -15.1771 -15.1764 -12.2158 -12.2154 -12.2013 -12.1997 -12.1984 -12.1972 -1.9889 -1.9836 3.3447 3.3736 3.5752 3.5911 3.6193 3.7183 4.0025 4.1046 4.1277 4.2091 4.4866 4.7873 5.4735 5.9305 7.2512 7.2935 9.9135 9.9154 12.4970 12.7971 13.2020 13.2226 13.4580 13.6886 k = 0.3075 0.1775 0.5021 ( 9092 PWs) bands (ev): -38.3085 -38.3085 -38.2506 -38.2506 -15.1782 -15.1777 -15.1771 -15.1765 -12.2158 -12.2155 -12.2014 -12.1998 -12.1984 -12.1972 -2.0006 -1.9954 3.3516 3.3740 3.5681 3.5894 3.6027 3.7116 3.9847 4.0864 4.1291 4.1997 4.5263 4.8221 5.5140 5.9619 7.3275 7.3679 9.9219 9.9251 12.4394 12.7221 13.1619 13.2154 13.4469 13.7273 k = 0.3000 0.1732 0.4899 ( 9098 PWs) bands (ev): -38.3085 -38.3085 -38.2506 -38.2506 -15.1783 -15.1777 -15.1771 -15.1765 -12.2159 -12.2155 -12.2014 -12.2000 -12.1984 -12.1972 -2.0132 -2.0081 3.3575 3.3735 3.5589 3.5842 3.5874 3.7046 3.9703 4.0680 4.1299 4.1939 4.5702 4.8606 5.5590 5.9981 7.4050 7.4440 9.9275 9.9360 12.3789 12.6478 13.1009 13.1561 13.4749 13.7532 k = 0.2925 0.1689 0.4777 ( 9102 PWs) bands (ev): -38.3086 -38.3086 -38.2506 -38.2506 -15.1783 -15.1778 -15.1771 -15.1766 -12.2160 -12.2156 -12.2015 -12.2001 -12.1984 -12.1972 -2.0268 -2.0219 3.3626 3.3724 3.5479 3.5643 3.5846 3.6973 3.9591 4.0510 4.1299 4.1901 4.6182 4.9026 5.6085 6.0389 7.4837 7.5214 9.9322 9.9460 12.3184 12.5758 13.0318 13.0801 13.5029 13.7521 k = 0.2850 0.1645 0.4654 ( 9098 PWs) bands (ev): -38.3086 -38.3086 -38.2505 -38.2505 -15.1784 -15.1778 -15.1771 -15.1766 -12.2161 -12.2157 -12.2015 -12.2002 -12.1984 -12.1972 -2.0413 -2.0366 3.3667 3.3706 3.5354 3.5438 3.5812 3.6897 3.9506 4.0362 4.1292 4.1874 4.6701 4.9481 5.6625 6.0843 7.5633 7.6001 9.9359 9.9552 12.2595 12.5065 12.9605 13.0013 13.5169 13.7251 k = 0.2775 0.1602 0.4532 ( 9100 PWs) bands (ev): -38.3086 -38.3086 -38.2505 -38.2505 -15.1784 -15.1779 -15.1771 -15.1767 -12.2162 -12.2158 -12.2015 -12.2004 -12.1984 -12.1972 -2.0568 -2.0523 3.3684 3.3699 3.5216 3.5232 3.5773 3.6820 3.9444 4.0239 4.1277 4.1853 4.7258 4.9969 5.7209 6.1342 7.6436 7.6797 9.9386 9.9634 12.2032 12.4406 12.8898 12.9235 13.5139 13.6780 k = 0.2700 0.1559 0.4409 ( 9118 PWs) bands (ev): -38.3087 -38.3087 -38.2505 -38.2505 -15.1785 -15.1779 -15.1771 -15.1767 -12.2163 -12.2159 -12.2016 -12.2005 -12.1985 -12.1973 -2.0732 -2.0690 3.3658 3.3720 3.5032 3.5068 3.5730 3.6741 3.9402 4.0140 4.1254 4.1834 4.7852 5.0490 5.7836 6.1886 7.7244 7.7601 9.9402 9.9706 12.1503 12.3783 12.8212 12.8482 13.4931 13.6090 k = 0.2625 0.1516 0.4287 ( 9111 PWs) bands (ev): -38.3087 -38.3087 -38.2504 -38.2504 -15.1785 -15.1779 -15.1772 -15.1768 -12.2164 -12.2160 -12.2016 -12.2006 -12.1985 -12.1973 -2.0905 -2.0865 3.3629 3.3730 3.4844 3.4915 3.5684 3.6660 3.9376 4.0063 4.1225 4.1815 4.8482 5.1044 5.8506 6.2473 7.8055 7.8411 9.9408 9.9767 12.1011 12.3200 12.7555 12.7762 13.4469 13.5012 k = 0.2550 0.1472 0.4164 ( 9103 PWs) bands (ev): -38.3087 -38.3087 -38.2504 -38.2504 -15.1786 -15.1780 -15.1772 -15.1769 -12.2165 -12.2161 -12.2016 -12.2007 -12.1986 -12.1974 -2.1086 -2.1048 3.3597 3.3727 3.4674 3.4762 3.5635 3.6577 3.9363 4.0005 4.1190 4.1794 4.9146 5.1630 5.9217 6.3102 7.8867 7.9224 9.9404 9.9816 12.0561 12.2659 12.6931 12.7076 13.3642 13.3911 k = 0.2475 0.1429 0.4042 ( 9107 PWs) bands (ev): -38.3088 -38.3088 -38.2504 -38.2504 -15.1786 -15.1780 -15.1772 -15.1769 -12.2166 -12.2163 -12.2017 -12.2008 -12.1987 -12.1974 -2.1275 -2.1239 3.3562 3.3707 3.4526 3.4611 3.5584 3.6493 3.9361 3.9963 4.1151 4.1770 4.9843 5.2249 5.9967 6.3773 7.9676 8.0038 9.9387 9.9853 12.0155 12.2164 12.6345 12.6429 13.2645 13.2832 k = 0.2400 0.1386 0.3919 ( 9105 PWs) bands (ev): -38.3088 -38.3088 -38.2503 -38.2503 -15.1787 -15.1780 -15.1773 -15.1770 -12.2167 -12.2164 -12.2017 -12.2009 -12.1987 -12.1975 -2.1471 -2.1438 3.3526 3.3671 3.4404 3.4467 3.5531 3.6407 3.9368 3.9935 4.1108 4.1743 5.0573 5.2899 6.0756 6.4483 8.0480 8.0851 9.9361 9.9877 11.9795 12.1716 12.5797 12.5820 13.1623 13.1778 k = 0.2325 0.1342 0.3797 ( 9105 PWs) bands (ev): -38.3089 -38.3089 -38.2503 -38.2503 -15.1787 -15.1781 -15.1773 -15.1771 -12.2169 -12.2165 -12.2017 -12.2010 -12.1988 -12.1975 -2.1673 -2.1642 3.3487 3.3617 3.4309 3.4332 3.5476 3.6319 3.9383 3.9919 4.1062 4.1712 5.1334 5.3580 6.1581 6.5232 8.1276 8.1659 9.9323 9.9888 11.9484 12.1318 12.5250 12.5288 13.0612 13.0753 k = 0.2250 0.1299 0.3674 ( 9109 PWs) bands (ev): -38.3089 -38.3089 -38.2502 -38.2502 -15.1788 -15.1781 -15.1773 -15.1772 -12.2170 -12.2167 -12.2017 -12.2011 -12.1989 -12.1976 -2.1881 -2.1853 3.3447 3.3551 3.4208 3.4238 3.5420 3.6229 3.9405 3.9912 4.1015 4.1679 5.2125 5.4292 6.2441 6.6017 8.2061 8.2460 9.9275 9.9884 11.9223 12.0973 12.4719 12.4820 12.9622 12.9757 k = 0.2175 0.1256 0.3552 ( 9109 PWs) bands (ev): -38.3090 -38.3090 -38.2502 -38.2502 -15.1788 -15.1781 -15.1774 -15.1773 -12.2171 -12.2168 -12.2017 -12.2012 -12.1990 -12.1977 -2.2094 -2.2068 3.3405 3.3477 3.4097 3.4186 3.5362 3.6138 3.9433 3.9913 4.0967 4.1644 5.2946 5.5033 6.3335 6.6837 8.2831 8.3251 9.9218 9.9866 11.9013 12.0682 12.4227 12.4389 12.8659 12.8792 k = 0.2100 0.1212 0.3429 ( 9117 PWs) bands (ev): -38.3090 -38.3090 -38.2501 -38.2501 -15.1788 -15.1782 -15.1775 -15.1773 -12.2173 -12.2170 -12.2017 -12.2012 -12.1992 -12.1978 -2.2310 -2.2287 3.3363 3.3403 3.3998 3.4145 3.5302 3.6045 3.9466 3.9921 4.0919 4.1605 5.3797 5.5804 6.4259 6.7689 8.3584 8.4030 9.9152 9.9834 11.8855 12.0449 12.3773 12.3994 12.7724 12.7863 k = 0.2025 0.1169 0.3307 ( 9131 PWs) bands (ev): -38.3091 -38.3091 -38.2501 -38.2501 -15.1789 -15.1782 -15.1775 -15.1774 -12.2174 -12.2172 -12.2017 -12.2013 -12.1993 -12.1979 -2.2530 -2.2509 3.3321 3.3334 3.3910 3.4110 3.5241 3.5950 3.9504 3.9935 4.0872 4.1565 5.4675 5.6604 6.5212 6.8573 8.4316 8.4792 9.9079 9.9787 11.8750 12.0275 12.3352 12.3631 12.6823 12.6972 k = 0.1950 0.1126 0.3184 ( 9129 PWs) bands (ev): -38.3091 -38.3091 -38.2500 -38.2500 -15.1789 -15.1782 -15.1776 -15.1775 -12.2176 -12.2173 -12.2017 -12.2014 -12.1994 -12.1980 -2.2752 -2.2733 3.3271 3.3281 3.3834 3.4080 3.5179 3.5854 3.9547 3.9955 4.0827 4.1524 5.5581 5.7432 6.6192 6.9484 8.5023 8.5537 9.9001 9.9726 11.8696 12.0161 12.2963 12.3290 12.5957 12.6128 k = 0.1875 0.1083 0.3062 ( 9117 PWs) bands (ev): -38.3092 -38.3092 -38.2500 -38.2500 -15.1790 -15.1783 -15.1776 -15.1776 -12.2177 -12.2175 -12.2017 -12.2014 -12.1996 -12.1982 -2.2975 -2.2958 3.3218 3.3244 3.3766 3.4050 3.5117 3.5757 3.9592 3.9979 4.0783 4.1481 5.6514 5.8287 6.7196 7.0421 8.5703 8.6259 9.8919 9.9653 11.8694 12.0109 12.2599 12.2958 12.5135 12.5342 k = 0.1800 0.1039 0.2939 ( 9105 PWs) bands (ev): -38.3092 -38.3092 -38.2499 -38.2499 -15.1790 -15.1783 -15.1777 -15.1777 -12.2179 -12.2177 -12.2017 -12.2015 -12.1997 -12.1983 -2.3198 -2.3183 3.3174 3.3211 3.3707 3.4021 3.5054 3.5659 3.9641 4.0007 4.0743 4.1438 5.7473 5.9168 6.8221 7.1380 8.6352 8.6959 9.8836 9.9568 11.8739 12.0118 12.2248 12.2610 12.4368 12.4636 k = 0.1725 0.0996 0.2817 ( 9121 PWs) bands (ev): -38.3093 -38.3093 -38.2499 -38.2499 -15.1790 -15.1783 -15.1778 -15.1778 -12.2180 -12.2178 -12.2017 -12.2015 -12.1998 -12.1984 -2.3421 -2.3407 3.3140 3.3182 3.3655 3.3991 3.4991 3.5561 3.9693 4.0038 4.0706 4.1395 5.8456 6.0074 6.9264 7.2358 8.6969 8.7632 9.8752 9.9473 11.8826 12.0187 12.1894 12.2213 12.3675 12.4039 k = 0.1650 0.0953 0.2694 ( 9105 PWs) bands (ev): -38.3094 -38.3094 -38.2498 -38.2498 -15.1791 -15.1784 -15.1779 -15.1779 -12.2182 -12.2180 -12.2017 -12.2016 -12.2000 -12.1986 -2.3642 -2.3630 3.3115 3.3158 3.3608 3.3959 3.4928 3.5463 3.9747 4.0073 4.0672 4.1352 5.9464 6.1004 7.0323 7.3352 8.7553 8.8277 9.8671 9.9369 11.8945 12.0311 12.1506 12.1739 12.3091 12.3573 k = 0.1575 0.0909 0.2572 ( 9113 PWs) bands (ev): -38.3094 -38.3094 -38.2498 -38.2498 -15.1791 -15.1784 -15.1780 -15.1779 -12.2183 -12.2182 -12.2017 -12.2016 -12.2001 -12.1987 -2.3860 -2.3850 3.3099 3.3139 3.3565 3.3926 3.4867 3.5365 3.9803 4.0110 4.0642 4.1310 6.0494 6.1957 7.1392 7.4356 8.8102 8.8894 9.8594 9.9258 11.9079 12.0479 12.1053 12.1192 12.2660 12.3228 k = 0.1500 0.0866 0.2449 ( 9105 PWs) bands (ev): -38.3095 -38.3095 -38.2497 -38.2497 -15.1791 -15.1785 -15.1781 -15.1780 -12.2185 -12.2183 -12.2017 -12.2017 -12.2003 -12.1989 -2.4075 -2.4066 3.3091 3.3124 3.3526 3.3892 3.4806 3.5268 3.9860 4.0148 4.0616 4.1268 6.1545 6.2931 7.2468 7.5365 8.8617 8.9482 9.8523 9.9144 11.9201 12.0532 12.0565 12.0703 12.2406 12.2970 k = 0.1425 0.0823 0.2327 ( 9109 PWs) bands (ev): -38.3095 -38.3095 -38.2497 -38.2497 -15.1792 -15.1785 -15.1782 -15.1781 -12.2186 -12.2185 -12.2017 -12.2016 -12.2004 -12.1990 -2.4285 -2.4277 3.3090 3.3115 3.3490 3.3856 3.4748 3.5173 3.9918 4.0188 4.0594 4.1228 6.2616 6.3925 7.3547 7.6373 8.9102 9.0041 9.8460 9.9027 11.9269 11.9978 11.9979 12.0837 12.2327 12.2788 k = 0.1350 0.0779 0.2205 ( 9109 PWs) bands (ev): -38.3096 -38.3096 -38.2496 -38.2496 -15.1792 -15.1785 -15.1783 -15.1782 -12.2188 -12.2187 -12.2017 -12.2016 -12.2005 -12.1992 -2.4490 -2.4484 3.3095 3.3109 3.3457 3.3819 3.4692 3.5080 3.9976 4.0230 4.0576 4.1188 6.3704 6.4936 7.4621 7.7372 8.9559 9.0572 9.8406 9.8911 11.9192 11.9376 11.9479 12.0852 12.2421 12.2743 k = 0.1275 0.0736 0.2082 ( 9107 PWs) bands (ev): -38.3096 -38.3096 -38.2496 -38.2496 -15.1792 -15.1786 -15.1784 -15.1782 -12.2189 -12.2188 -12.2017 -12.2016 -12.2007 -12.1994 -2.4689 -2.4683 3.3104 3.3107 3.3426 3.3781 3.4638 3.4989 4.0035 4.0272 4.0561 4.1151 6.4807 6.5962 7.5686 7.8353 8.9996 9.1079 9.8362 9.8800 11.8753 11.8786 11.9257 12.0639 12.2676 12.2917 k = 0.1200 0.0693 0.1960 ( 9115 PWs) bands (ev): -38.3097 -38.3097 -38.2495 -38.2495 -15.1792 -15.1786 -15.1785 -15.1783 -12.2191 -12.2190 -12.2017 -12.2016 -12.2008 -12.1996 -2.4881 -2.4876 3.3107 3.3118 3.3398 3.3742 3.4588 3.4902 4.0093 4.0313 4.0551 4.1114 6.5923 6.7000 7.6733 7.9305 9.0421 9.1564 9.8330 9.8694 11.8216 11.8219 11.9065 12.0243 12.2953 12.3070 k = 0.1125 0.0650 0.1837 ( 9119 PWs) bands (ev): -38.3097 -38.3097 -38.2495 -38.2495 -15.1793 -15.1787 -15.1785 -15.1784 -12.2192 -12.2191 -12.2017 -12.2016 -12.2009 -12.1997 -2.5065 -2.5061 3.3109 3.3134 3.3372 3.3702 3.4542 3.4818 4.0150 4.0355 4.0544 4.1079 6.7049 6.8047 7.7753 8.0214 9.0846 9.2033 9.8311 9.8599 11.7677 11.7691 11.8817 11.9754 12.2731 12.3573 k = 0.1050 0.0606 0.1715 ( 9123 PWs) bands (ev): -38.3098 -38.3098 -38.2495 -38.2495 -15.1793 -15.1787 -15.1786 -15.1785 -12.2193 -12.2193 -12.2017 -12.2016 -12.2011 -12.1999 -2.5241 -2.5238 3.3113 3.3152 3.3347 3.3662 3.4500 3.4740 4.0206 4.0396 4.0540 4.1045 6.8181 6.9100 7.8736 8.1066 9.1282 9.2491 9.8303 9.8516 11.7164 11.7191 11.8521 11.9227 12.2466 12.4051 k = 0.0975 0.0563 0.1592 ( 9133 PWs) bands (ev): -38.3098 -38.3098 -38.2494 -38.2494 -15.1793 -15.1787 -15.1787 -15.1786 -12.2195 -12.2194 -12.2018 -12.2016 -12.2012 -12.2001 -2.5407 -2.5405 3.3118 3.3170 3.3325 3.3622 3.4462 3.4666 4.0260 4.0436 4.0540 4.1013 6.9316 7.0154 7.9671 8.1844 9.1745 9.2945 9.8309 9.8449 11.6680 11.6719 11.8188 11.8690 12.2130 12.3432 k = 0.0900 0.0520 0.1470 ( 9139 PWs) bands (ev): -38.3099 -38.3099 -38.2494 -38.2494 -15.1793 -15.1788 -15.1788 -15.1786 -12.2196 -12.2195 -12.2017 -12.2016 -12.2013 -12.2002 -2.5564 -2.5562 3.3123 3.3188 3.3304 3.3583 3.4428 3.4598 4.0313 4.0474 4.0542 4.0983 7.0449 7.1206 8.0545 8.2531 9.2249 9.3403 9.8327 9.8400 11.6228 11.6279 11.7829 11.8155 12.1699 12.2720 k = 0.0825 0.0476 0.1347 ( 9147 PWs) bands (ev): -38.3099 -38.3099 -38.2493 -38.2493 -15.1793 -15.1788 -15.1788 -15.1787 -12.2197 -12.2197 -12.2017 -12.2015 -12.2014 -12.2004 -2.5710 -2.5709 3.3128 3.3205 3.3286 3.3544 3.4399 3.4537 4.0363 4.0510 4.0547 4.0954 7.1574 7.2249 8.1343 8.3115 9.2803 9.3874 9.8357 9.8372 11.5808 11.5871 11.7452 11.7631 12.1159 12.1912 k = 0.0750 0.0433 0.1225 ( 9151 PWs) bands (ev): -38.3100 -38.3100 -38.2493 -38.2493 -15.1793 -15.1789 -15.1789 -15.1788 -12.2198 -12.2198 -12.2017 -12.2015 -12.2014 -12.2005 -2.5846 -2.5845 3.3133 3.3219 3.3270 3.3506 3.4374 3.4483 4.0410 4.0545 4.0555 4.0926 7.2686 7.3279 8.2051 8.3584 9.3413 9.4363 9.8365 9.8399 11.5420 11.5495 11.7063 11.7124 12.0507 12.1013 k = 0.0675 0.0390 0.1102 ( 9153 PWs) bands (ev): -38.3100 -38.3100 -38.2493 -38.2493 -15.1793 -15.1789 -15.1789 -15.1788 -12.2199 -12.2199 -12.2017 -12.2015 -12.2015 -12.2007 -2.5970 -2.5969 3.3138 3.3231 3.3255 3.3469 3.4353 3.4435 4.0454 4.0565 4.0576 4.0899 7.3779 7.4287 8.2658 8.3935 9.4076 9.4878 9.8380 9.8451 11.5065 11.5154 11.6638 11.6668 11.9755 12.0045 k = 0.0600 0.0346 0.0980 ( 9153 PWs) bands (ev): -38.3100 -38.3100 -38.2492 -38.2492 -15.1793 -15.1790 -15.1789 -15.1789 -12.2200 -12.2200 -12.2017 -12.2016 -12.2015 -12.2008 -2.6082 -2.6082 3.3143 3.3240 3.3243 3.3434 3.4335 3.4396 4.0495 4.0577 4.0604 4.0873 7.4842 7.5268 8.3152 8.4172 9.4782 9.5419 9.8417 9.8513 11.4743 11.4845 11.6178 11.6274 11.8925 11.9036 k = 0.0525 0.0303 0.0857 ( 9161 PWs) bands (ev): -38.3101 -38.3101 -38.2492 -38.2492 -15.1793 -15.1790 -15.1790 -15.1789 -12.2201 -12.2201 -12.2017 -12.2016 -12.2015 -12.2010 -2.6182 -2.6182 3.3149 3.3233 3.3245 3.3400 3.4321 3.4363 4.0531 4.0591 4.0629 4.0849 7.5869 7.6213 8.3527 8.4301 9.5513 9.5983 9.8472 9.8581 11.4453 11.4569 11.5750 11.5886 11.8021 11.8051 k = 0.0450 0.0260 0.0735 ( 9167 PWs) bands (ev): -38.3101 -38.3101 -38.2492 -38.2492 -15.1793 -15.1791 -15.1790 -15.1790 -12.2202 -12.2201 -12.2017 -12.2016 -12.2015 -12.2011 -2.6270 -2.6269 3.3155 3.3225 3.3247 3.3368 3.4310 3.4337 4.0563 4.0607 4.0651 4.0825 7.6847 7.7111 8.3780 8.4333 9.6245 9.6560 9.8543 9.8654 11.4194 11.4323 11.5359 11.5513 11.7037 11.7170 k = 0.0375 0.0217 0.0612 ( 9181 PWs) bands (ev): -38.3101 -38.3101 -38.2492 -38.2492 -15.1793 -15.1791 -15.1791 -15.1790 -12.2202 -12.2202 -12.2017 -12.2017 -12.2015 -12.2012 -2.6344 -2.6344 3.3162 3.3220 3.3246 3.3338 3.4301 3.4317 4.0591 4.0625 4.0669 4.0802 7.7763 7.7952 8.3917 8.4282 9.6951 9.7134 9.8624 9.8727 11.3964 11.4102 11.5013 11.5161 11.6127 11.6323 k = 0.0300 0.0173 0.0490 ( 9195 PWs) bands (ev): -38.3101 -38.3101 -38.2492 -38.2492 -15.1793 -15.1791 -15.1791 -15.1791 -12.2203 -12.2203 -12.2017 -12.2017 -12.2016 -12.2013 -2.6406 -2.6405 3.3171 3.3216 3.3243 3.3310 3.4294 3.4302 4.0614 4.0644 4.0683 4.0780 7.8600 7.8721 8.3948 8.4162 9.7599 9.7680 9.8707 9.8796 11.3759 11.3893 11.4718 11.4842 11.5341 11.5556 k = 0.0225 0.0130 0.0367 ( 9203 PWs) bands (ev): -38.3101 -38.3101 -38.2492 -38.2492 -15.1792 -15.1792 -15.1791 -15.1791 -12.2203 -12.2203 -12.2017 -12.2016 -12.2016 -12.2014 -2.6453 -2.6453 3.3181 3.3215 3.3238 3.3285 3.4289 3.4292 4.0636 4.0662 4.0692 4.0758 7.9333 7.9397 8.3890 8.3995 9.8153 9.8168 9.8786 9.8855 11.3570 11.3675 11.4480 11.4567 11.4739 11.4919 k = 0.0150 0.0087 0.0245 ( 9195 PWs) bands (ev): -38.3101 -38.3101 -38.2492 -38.2492 -15.1792 -15.1792 -15.1791 -15.1791 -12.2203 -12.2203 -12.2017 -12.2016 -12.2016 -12.2015 -2.6488 -2.6488 3.3193 3.3216 3.3233 3.3261 3.4285 3.4286 4.0656 4.0677 4.0698 4.0737 7.9925 7.9949 8.3777 8.3814 9.8562 9.8577 9.8852 9.8899 11.3389 11.3438 11.4303 11.4349 11.4367 11.4467 k = 0.0075 0.0043 0.0122 ( 9185 PWs) bands (ev): -38.3101 -38.3101 -38.2492 -38.2492 -15.1792 -15.1792 -15.1792 -15.1791 -12.2204 -12.2204 -12.2016 -12.2016 -12.2016 -12.2015 -2.6508 -2.6508 3.3206 3.3218 3.3227 3.3241 3.4282 3.4282 4.0676 4.0688 4.0699 4.0716 8.0323 8.0327 8.3661 8.3666 9.8824 9.8840 9.8900 9.8923 11.3235 11.3242 11.4191 11.4195 11.4203 11.4221 k = 0.0000 0.0000 0.0000 ( 9185 PWs) bands (ev): -38.3101 -38.3101 -38.2492 -38.2492 -15.1792 -15.1792 -15.1792 -15.1792 -12.2204 -12.2204 -12.2016 -12.2016 -12.2016 -12.2016 -2.6515 -2.6515 3.3222 3.3222 3.3222 3.3222 3.4281 3.4281 4.0696 4.0696 4.0696 4.0696 8.0465 8.0465 8.3609 8.3609 9.8923 9.8923 9.8923 9.8923 11.3170 11.3170 11.4150 11.4150 11.4150 11.4150 k = 0.0000 0.0000 0.0000 ( 9185 PWs) bands (ev): -38.3101 -38.3101 -38.2492 -38.2492 -15.1792 -15.1792 -15.1792 -15.1792 -12.2204 -12.2204 -12.2016 -12.2016 -12.2016 -12.2016 -2.6515 -2.6515 3.3222 3.3222 3.3222 3.3222 3.4281 3.4281 4.0696 4.0696 4.0696 4.0696 8.0465 8.0465 8.3609 8.3609 9.8923 9.8923 9.8923 9.8923 11.3170 11.3170 11.4150 11.4150 11.4150 11.4150 k = 0.0122 0.0070 0.0050 ( 9185 PWs) bands (ev): -38.3101 -38.3101 -38.2492 -38.2492 -15.1792 -15.1792 -15.1792 -15.1791 -12.2204 -12.2204 -12.2016 -12.2016 -12.2016 -12.2015 -2.6508 -2.6508 3.3206 3.3223 3.3223 3.3241 3.4282 3.4282 4.0675 4.0693 4.0693 4.0717 8.0326 8.0326 8.3663 8.3663 9.8863 9.8863 9.8863 9.8898 11.3239 11.3239 11.4197 11.4203 11.4203 11.4204 k = 0.0244 0.0141 0.0100 ( 9197 PWs) bands (ev): -38.3101 -38.3101 -38.2492 -38.2492 -15.1792 -15.1792 -15.1792 -15.1791 -12.2203 -12.2203 -12.2017 -12.2016 -12.2016 -12.2015 -2.6488 -2.6488 3.3192 3.3224 3.3224 3.3263 3.4285 3.4285 4.0656 4.0687 4.0687 4.0738 7.9939 7.9939 8.3797 8.3797 9.8691 9.8691 9.8721 9.8790 11.3421 11.3421 11.4345 11.4357 11.4381 11.4381 k = 0.0366 0.0211 0.0149 ( 9203 PWs) bands (ev): -38.3101 -38.3101 -38.2492 -38.2492 -15.1792 -15.1791 -15.1791 -15.1791 -12.2203 -12.2203 -12.2017 -12.2016 -12.2016 -12.2014 -2.6454 -2.6454 3.3180 3.3226 3.3226 3.3286 3.4290 3.4290 4.0637 4.0675 4.0675 4.0761 7.9362 7.9362 8.3955 8.3955 9.8424 9.8424 9.8502 9.8602 11.3651 11.3651 11.4585 11.4600 11.4728 11.4728 k = 0.0488 0.0282 0.0199 ( 9203 PWs) bands (ev): -38.3101 -38.3101 -38.2492 -38.2492 -15.1793 -15.1791 -15.1791 -15.1791 -12.2203 -12.2203 -12.2017 -12.2016 -12.2016 -12.2013 -2.6406 -2.6406 3.3171 3.3229 3.3229 3.3311 3.4298 3.4298 4.0619 4.0659 4.0659 4.0783 7.8645 7.8645 8.4092 8.4092 9.8088 9.8088 9.8216 9.8345 11.3877 11.3877 11.4906 11.4920 11.5267 11.5267 k = 0.0610 0.0352 0.0249 ( 9182 PWs) bands (ev): -38.3101 -38.3101 -38.2492 -38.2492 -15.1793 -15.1791 -15.1791 -15.1790 -12.2202 -12.2202 -12.2017 -12.2016 -12.2016 -12.2012 -2.6346 -2.6346 3.3165 3.3231 3.3231 3.3339 3.4309 3.4309 4.0602 4.0639 4.0639 4.0806 7.7818 7.7818 8.4184 8.4184 9.7708 9.7708 9.7872 9.8028 11.4095 11.4095 11.5293 11.5302 11.5971 11.5971 k = 0.0732 0.0422 0.0299 ( 9170 PWs) bands (ev): -38.3101 -38.3101 -38.2492 -38.2492 -15.1793 -15.1790 -15.1790 -15.1790 -12.2202 -12.2202 -12.2017 -12.2016 -12.2016 -12.2011 -2.6272 -2.6272 3.3160 3.3232 3.3232 3.3367 3.4324 3.4324 4.0587 4.0615 4.0615 4.0830 7.6901 7.6901 8.4219 8.4219 9.7308 9.7308 9.7482 9.7661 11.4316 11.4316 11.5727 11.5728 11.6797 11.6797 k = 0.0854 0.0493 0.0349 ( 9149 PWs) bands (ev): -38.3100 -38.3100 -38.2492 -38.2492 -15.1793 -15.1790 -15.1790 -15.1789 -12.2201 -12.2201 -12.2016 -12.2016 -12.2016 -12.2009 -2.6185 -2.6185 3.3158 3.3233 3.3233 3.3398 3.4343 3.4343 4.0573 4.0587 4.0587 4.0854 7.5908 7.5908 8.4193 8.4193 9.6904 9.6904 9.7055 9.7254 11.4546 11.4546 11.6178 11.6188 11.7710 11.7710 k = 0.0976 0.0563 0.0398 ( 9143 PWs) bands (ev): -38.3100 -38.3100 -38.2492 -38.2492 -15.1793 -15.1789 -15.1789 -15.1789 -12.2200 -12.2200 -12.2016 -12.2016 -12.2016 -12.2008 -2.6086 -2.6086 3.3158 3.3232 3.3232 3.3429 3.4367 3.4367 4.0556 4.0556 4.0561 4.0879 7.4850 7.4850 8.4106 8.4106 9.6509 9.6509 9.6600 9.6817 11.4782 11.4782 11.6630 11.6655 11.8685 11.8685 k = 0.1098 0.0634 0.0448 ( 9134 PWs) bands (ev): -38.3100 -38.3100 -38.2493 -38.2493 -15.1793 -15.1789 -15.1789 -15.1789 -12.2199 -12.2199 -12.2017 -12.2017 -12.2015 -12.2006 -2.5975 -2.5975 3.3161 3.3230 3.3230 3.3461 3.4398 3.4398 4.0521 4.0521 4.0552 4.0904 7.3738 7.3738 8.3963 8.3963 9.6125 9.6131 9.6131 9.6357 11.5020 11.5020 11.7060 11.7102 11.9702 11.9702 k = 0.1220 0.0704 0.0498 ( 9137 PWs) bands (ev): -38.3100 -38.3100 -38.2493 -38.2493 -15.1793 -15.1788 -15.1788 -15.1788 -12.2198 -12.2198 -12.2017 -12.2017 -12.2014 -12.2005 -2.5853 -2.5853 3.3165 3.3226 3.3226 3.3493 3.4434 3.4434 4.0482 4.0482 4.0544 4.0930 7.2580 7.2580 8.3768 8.3768 9.5637 9.5774 9.5774 9.5882 11.5248 11.5248 11.7444 11.7503 12.0744 12.0744 k = 0.1341 0.0774 0.0548 ( 9132 PWs) bands (ev): -38.3099 -38.3099 -38.2493 -38.2493 -15.1793 -15.1788 -15.1788 -15.1788 -12.2197 -12.2197 -12.2017 -12.2017 -12.2013 -12.2003 -2.5719 -2.5719 3.3171 3.3220 3.3220 3.3526 3.4476 3.4476 4.0441 4.0441 4.0539 4.0957 7.1385 7.1385 8.3528 8.3528 9.5141 9.5397 9.5439 9.5439 11.5456 11.5456 11.7759 11.7833 12.1797 12.1797 k = 0.1463 0.0845 0.0597 ( 9120 PWs) bands (ev): -38.3099 -38.3099 -38.2494 -38.2494 -15.1793 -15.1788 -15.1787 -15.1787 -12.2196 -12.2196 -12.2017 -12.2017 -12.2012 -12.2001 -2.5575 -2.5575 3.3178 3.3213 3.3213 3.3558 3.4525 3.4525 4.0398 4.0398 4.0538 4.0985 7.0160 7.0160 8.3250 8.3250 9.4642 9.4907 9.5128 9.5128 11.5631 11.5631 11.7982 11.8067 12.2848 12.2848 k = 0.1585 0.0915 0.0647 ( 9120 PWs) bands (ev): -38.3098 -38.3098 -38.2494 -38.2494 -15.1793 -15.1787 -15.1786 -15.1786 -12.2194 -12.2194 -12.2017 -12.2017 -12.2011 -12.2000 -2.5421 -2.5421 3.3187 3.3205 3.3205 3.3590 3.4580 3.4580 4.0353 4.0353 4.0539 4.1013 6.8912 6.8912 8.2941 8.2941 9.4144 9.4417 9.4837 9.4837 11.5759 11.5759 11.8100 11.8189 12.3882 12.3882 k = 0.1707 0.0986 0.0697 ( 9132 PWs) bands (ev): -38.3098 -38.3098 -38.2494 -38.2494 -15.1793 -15.1787 -15.1785 -15.1785 -12.2193 -12.2193 -12.2018 -12.2018 -12.2010 -12.1998 -2.5258 -2.5258 3.3197 3.3197 3.3197 3.3621 3.4641 3.4641 4.0306 4.0306 4.0543 4.1042 6.7648 6.7648 8.2607 8.2607 9.3649 9.3929 9.4567 9.4567 11.5833 11.5833 11.8106 11.8193 12.4888 12.4888 k = 0.1829 0.1056 0.0747 ( 9132 PWs) bands (ev): -38.3097 -38.3097 -38.2495 -38.2495 -15.1793 -15.1787 -15.1785 -15.1785 -12.2192 -12.2192 -12.2018 -12.2018 -12.2009 -12.1996 -2.5086 -2.5086 3.3190 3.3190 3.3208 3.3650 3.4707 3.4707 4.0258 4.0258 4.0551 4.1072 6.6374 6.6374 8.2254 8.2254 9.3161 9.3446 9.4314 9.4314 11.5844 11.5844 11.8004 11.8082 12.5856 12.5856 k = 0.1951 0.1127 0.0797 ( 9138 PWs) bands (ev): -38.3097 -38.3097 -38.2495 -38.2495 -15.1793 -15.1787 -15.1784 -15.1784 -12.2190 -12.2190 -12.2018 -12.2018 -12.2007 -12.1994 -2.4906 -2.4906 3.3185 3.3185 3.3220 3.3678 3.4777 3.4777 4.0209 4.0209 4.0563 4.1103 6.5096 6.5096 8.1888 8.1888 9.2682 9.2970 9.4078 9.4078 11.5790 11.5790 11.7804 11.7870 12.6783 12.6783 k = 0.2073 0.1197 0.0846 ( 9117 PWs) bands (ev): -38.3096 -38.3096 -38.2496 -38.2496 -15.1793 -15.1786 -15.1783 -15.1783 -12.2189 -12.2189 -12.2018 -12.2018 -12.2006 -12.1993 -2.4720 -2.4720 3.3183 3.3183 3.3233 3.3703 3.4852 3.4852 4.0159 4.0159 4.0579 4.1135 6.3818 6.3818 8.1514 8.1514 9.2214 9.2504 9.3856 9.3856 11.5675 11.5675 11.7522 11.7572 12.7671 12.7671 k = 0.2195 0.1267 0.0896 ( 9105 PWs) bands (ev): -38.3096 -38.3096 -38.2496 -38.2496 -15.1793 -15.1786 -15.1782 -15.1782 -12.2188 -12.2188 -12.2018 -12.2018 -12.2004 -12.1991 -2.4527 -2.4527 3.3184 3.3184 3.3246 3.3727 3.4930 3.4930 4.0110 4.0110 4.0599 4.1167 6.2547 6.2547 8.1134 8.1134 9.1758 9.2049 9.3648 9.3648 11.5503 11.5503 11.7175 11.7209 12.8528 12.8528 k = 0.2317 0.1338 0.0946 ( 9096 PWs) bands (ev): -38.3095 -38.3095 -38.2497 -38.2497 -15.1792 -15.1786 -15.1781 -15.1781 -12.2186 -12.2186 -12.2019 -12.2019 -12.2002 -12.1989 -2.4330 -2.4330 3.3191 3.3191 3.3260 3.3748 3.5010 3.5010 4.0061 4.0061 4.0623 4.1200 6.1285 6.1285 8.0754 8.0754 9.1315 9.1606 9.3452 9.3452 11.5283 11.5283 11.6778 11.6797 12.9358 12.9358 k = 0.2439 0.1408 0.0996 ( 9108 PWs) bands (ev): -38.3095 -38.3095 -38.2497 -38.2497 -15.1792 -15.1785 -15.1780 -15.1780 -12.2185 -12.2185 -12.2019 -12.2019 -12.2001 -12.1987 -2.4128 -2.4128 3.3203 3.3203 3.3274 3.3766 3.5093 3.5093 4.0013 4.0013 4.0651 4.1234 6.0038 6.0038 8.0375 8.0375 9.0887 9.1176 9.3268 9.3268 11.5023 11.5023 11.6347 11.6351 13.0162 13.0162 k = 0.2561 0.1479 0.1046 ( 9102 PWs) bands (ev): -38.3094 -38.3094 -38.2498 -38.2498 -15.1792 -15.1785 -15.1779 -15.1779 -12.2183 -12.2183 -12.2019 -12.2019 -12.1999 -12.1985 -2.3924 -2.3924 3.3223 3.3223 3.3289 3.3781 3.5177 3.5177 3.9967 3.9967 4.0683 4.1268 5.8808 5.8808 8.0002 8.0002 9.0474 9.0761 9.3095 9.3095 11.4733 11.4733 11.5884 11.5893 13.0932 13.0932 k = 0.2683 0.1549 0.1095 ( 9108 PWs) bands (ev): -38.3094 -38.3094 -38.2498 -38.2498 -15.1792 -15.1785 -15.1778 -15.1778 -12.2182 -12.2182 -12.2019 -12.2019 -12.1997 -12.1984 -2.3718 -2.3718 3.3251 3.3251 3.3303 3.3794 3.5261 3.5261 3.9921 3.9921 4.0718 4.1302 5.7600 5.7600 7.9635 7.9635 9.0078 9.0361 9.2932 9.2932 11.4422 11.4422 11.5406 11.5426 13.1655 13.1655 k = 0.2805 0.1619 0.1145 ( 9120 PWs) bands (ev): -38.3093 -38.3093 -38.2499 -38.2499 -15.1792 -15.1785 -15.1777 -15.1777 -12.2180 -12.2180 -12.2020 -12.2020 -12.1995 -12.1982 -2.3511 -2.3511 3.3288 3.3288 3.3318 3.3803 3.5346 3.5346 3.9878 3.9878 4.0758 4.1336 5.6416 5.6416 7.9277 7.9277 8.9700 8.9977 9.2779 9.2779 11.4097 11.4097 11.4926 11.4955 13.2314 13.2314 k = 0.2927 0.1690 0.1195 ( 9120 PWs) bands (ev): -38.3093 -38.3093 -38.2499 -38.2499 -15.1791 -15.1785 -15.1777 -15.1777 -12.2179 -12.2179 -12.2020 -12.2020 -12.1994 -12.1981 -2.3305 -2.3305 3.3333 3.3334 3.3334 3.3810 3.5430 3.5430 3.9836 3.9836 4.0800 4.1369 5.5261 5.5261 7.8929 7.8929 8.9338 8.9610 9.2635 9.2635 11.3765 11.3765 11.4449 11.4486 13.2898 13.2898 k = 0.3049 0.1760 0.1245 ( 9120 PWs) bands (ev): -38.3092 -38.3092 -38.2500 -38.2500 -15.1791 -15.1785 -15.1776 -15.1776 -12.2178 -12.2178 -12.2020 -12.2020 -12.1992 -12.1979 -2.3101 -2.3101 3.3347 3.3392 3.3392 3.3813 3.5514 3.5514 3.9797 3.9797 4.0846 4.1402 5.4135 5.4135 7.8594 7.8594 8.8996 8.9259 9.2501 9.2501 11.3432 11.3432 11.3982 11.4025 13.3400 13.3400 k = 0.3171 0.1831 0.1294 ( 9114 PWs) bands (ev): -38.3092 -38.3092 -38.2500 -38.2500 -15.1791 -15.1784 -15.1775 -15.1775 -12.2176 -12.2176 -12.2020 -12.2020 -12.1990 -12.1978 -2.2900 -2.2900 3.3362 3.3460 3.3460 3.3814 3.5597 3.5597 3.9759 3.9759 4.0894 4.1434 5.3044 5.3044 7.8272 7.8272 8.8672 8.8927 9.2376 9.2376 11.3102 11.3102 11.3529 11.3576 13.3824 13.3824 k = 0.3293 0.1901 0.1344 ( 9114 PWs) bands (ev): -38.3091 -38.3091 -38.2500 -38.2500 -15.1790 -15.1784 -15.1774 -15.1774 -12.2175 -12.2175 -12.2020 -12.2020 -12.1988 -12.1976 -2.2704 -2.2704 3.3377 3.3540 3.3540 3.3811 3.5679 3.5679 3.9723 3.9723 4.0944 4.1465 5.1989 5.1989 7.7965 7.7965 8.8368 8.8612 9.2260 9.2260 11.2780 11.2780 11.3094 11.3144 13.4178 13.4178 k = 0.3415 0.1971 0.1394 ( 9114 PWs) bands (ev): -38.3091 -38.3091 -38.2501 -38.2501 -15.1790 -15.1784 -15.1773 -15.1773 -12.2174 -12.2174 -12.2020 -12.2020 -12.1986 -12.1975 -2.2513 -2.2513 3.3392 3.3631 3.3631 3.3806 3.5760 3.5760 3.9689 3.9689 4.0995 4.1493 5.0974 5.0974 7.7674 7.7674 8.8084 8.8317 9.2153 9.2153 11.2470 11.2470 11.2679 11.2731 13.4474 13.4474 k = 0.3537 0.2042 0.1444 ( 9108 PWs) bands (ev): -38.3090 -38.3090 -38.2501 -38.2501 -15.1790 -15.1784 -15.1773 -15.1773 -12.2173 -12.2173 -12.2021 -12.2021 -12.1985 -12.1974 -2.2330 -2.2330 3.3407 3.3733 3.3733 3.3799 3.5840 3.5840 3.9656 3.9656 4.1048 4.1520 5.0001 5.0001 7.7401 7.7401 8.7820 8.8040 9.2055 9.2055 11.2174 11.2174 11.2288 11.2340 13.4722 13.4722 k = 0.3659 0.2112 0.1494 ( 9108 PWs) bands (ev): -38.3090 -38.3090 -38.2502 -38.2502 -15.1789 -15.1784 -15.1772 -15.1772 -12.2171 -12.2171 -12.2021 -12.2021 -12.1983 -12.1973 -2.2156 -2.2156 3.3422 3.3790 3.3846 3.3846 3.5920 3.5920 3.9624 3.9624 4.1101 4.1545 4.9074 4.9074 7.7145 7.7145 8.7576 8.7783 9.1965 9.1965 11.1894 11.1894 11.1922 11.1974 13.4930 13.4930 k = 0.3780 0.2183 0.1543 ( 9126 PWs) bands (ev): -38.3090 -38.3090 -38.2502 -38.2502 -15.1789 -15.1784 -15.1771 -15.1771 -12.2170 -12.2170 -12.2021 -12.2021 -12.1981 -12.1972 -2.1991 -2.1991 3.3437 3.3778 3.3968 3.3968 3.6002 3.6002 3.9591 3.9591 4.1154 4.1567 4.8196 4.8196 7.6908 7.6908 8.7354 8.7546 9.1883 9.1883 11.1583 11.1634 11.1634 11.1634 13.5107 13.5107 k = 0.3902 0.2253 0.1593 ( 9123 PWs) bands (ev): -38.3089 -38.3089 -38.2502 -38.2502 -15.1789 -15.1784 -15.1771 -15.1771 -12.2170 -12.2170 -12.2021 -12.2021 -12.1980 -12.1971 -2.1837 -2.1837 3.3452 3.3765 3.4096 3.4096 3.6085 3.6085 3.9557 3.9557 4.1207 4.1585 4.7372 4.7372 7.6692 7.6692 8.7153 8.7329 9.1810 9.1810 11.1274 11.1321 11.1393 11.1393 13.5256 13.5256 k = 0.4024 0.2323 0.1643 ( 9111 PWs) bands (ev): -38.3089 -38.3089 -38.2503 -38.2503 -15.1788 -15.1784 -15.1770 -15.1770 -12.2169 -12.2169 -12.2021 -12.2021 -12.1978 -12.1971 -2.1696 -2.1696 3.3468 3.3751 3.4229 3.4229 3.6172 3.6172 3.9520 3.9520 4.1258 4.1600 4.6606 4.6606 7.6496 7.6496 8.6973 8.7132 9.1744 9.1744 11.0994 11.1038 11.1175 11.1175 13.5383 13.5383 k = 0.4146 0.2394 0.1693 ( 9102 PWs) bands (ev): -38.3089 -38.3089 -38.2503 -38.2503 -15.1788 -15.1785 -15.1769 -15.1769 -12.2168 -12.2168 -12.2021 -12.2021 -12.1977 -12.1970 -2.1569 -2.1569 3.3484 3.3735 3.4361 3.4361 3.6263 3.6263 3.9478 3.9478 4.1308 4.1612 4.5903 4.5903 7.6321 7.6321 8.6815 8.6957 9.1687 9.1687 11.0745 11.0785 11.0981 11.0981 13.5490 13.5490 k = 0.4268 0.2464 0.1743 ( 9102 PWs) bands (ev): -38.3088 -38.3088 -38.2503 -38.2503 -15.1788 -15.1785 -15.1769 -15.1769 -12.2167 -12.2167 -12.2021 -12.2021 -12.1976 -12.1970 -2.1456 -2.1456 3.3501 3.3718 3.4489 3.4489 3.6361 3.6361 3.9432 3.9432 4.1355 4.1619 4.5271 4.5271 7.6168 7.6168 8.6680 8.6802 9.1637 9.1637 11.0528 11.0564 11.0810 11.0810 13.5579 13.5579 k = 0.4390 0.2535 0.1792 ( 9081 PWs) bands (ev): -38.3088 -38.3088 -38.2503 -38.2503 -15.1787 -15.1785 -15.1769 -15.1769 -12.2167 -12.2167 -12.2021 -12.2021 -12.1974 -12.1969 -2.1359 -2.1359 3.3517 3.3700 3.4608 3.4608 3.6463 3.6463 3.9379 3.9379 4.1400 4.1622 4.4717 4.4717 7.6038 7.6038 8.6566 8.6670 9.1596 9.1596 11.0344 11.0375 11.0664 11.0664 13.5652 13.5652 k = 0.4512 0.2605 0.1842 ( 9078 PWs) bands (ev): -38.3088 -38.3088 -38.2503 -38.2503 -15.1787 -15.1785 -15.1768 -15.1768 -12.2166 -12.2166 -12.2021 -12.2021 -12.1973 -12.1969 -2.1278 -2.1278 3.3535 3.3682 3.4711 3.4711 3.6569 3.6569 3.9322 3.9322 4.1441 4.1620 4.4248 4.4248 7.5930 7.5930 8.6475 8.6559 9.1561 9.1561 11.0193 11.0218 11.0544 11.0544 13.5711 13.5711 k = 0.4634 0.2676 0.1892 ( 9081 PWs) bands (ev): -38.3088 -38.3088 -38.2503 -38.2503 -15.1787 -15.1785 -15.1768 -15.1768 -12.2166 -12.2166 -12.2021 -12.2021 -12.1972 -12.1969 -2.1215 -2.1215 3.3552 3.3663 3.4796 3.4796 3.6670 3.6670 3.9263 3.9263 4.1479 4.1614 4.3873 4.3873 7.5847 7.5847 8.6407 8.6470 9.1535 9.1535 11.0076 11.0096 11.0450 11.0450 13.5756 13.5756 k = 0.4756 0.2746 0.1942 ( 9084 PWs) bands (ev): -38.3088 -38.3088 -38.2504 -38.2504 -15.1786 -15.1785 -15.1768 -15.1768 -12.2166 -12.2166 -12.2021 -12.2021 -12.1972 -12.1970 -2.1169 -2.1169 3.3570 3.3645 3.4858 3.4858 3.6758 3.6758 3.9210 3.9210 4.1513 4.1603 4.3599 4.3599 7.5787 7.5787 8.6361 8.6403 9.1516 9.1516 10.9994 11.0007 11.0383 11.0383 13.5788 13.5788 k = 0.4878 0.2816 0.1991 ( 9084 PWs) bands (ev): -38.3088 -38.3088 -38.2504 -38.2504 -15.1786 -15.1786 -15.1768 -15.1768 -12.2165 -12.2165 -12.2021 -12.2021 -12.1971 -12.1970 -2.1141 -2.1141 3.3588 3.3626 3.4895 3.4895 3.6818 3.6818 3.9172 3.9172 4.1542 4.1588 4.3433 4.3433 7.5750 7.5750 8.6338 8.6359 9.1505 9.1505 10.9945 10.9952 11.0342 11.0342 13.5806 13.5806 k = 0.5000 0.2887 0.2041 ( 9030 PWs) bands (ev): -38.3087 -38.3087 -38.2503 -38.2503 -15.1786 -15.1786 -15.1768 -15.1768 -12.2165 -12.2165 -12.2021 -12.2021 -12.1970 -12.1970 -2.1132 -2.1132 3.3607 3.3607 3.4908 3.4908 3.6840 3.6840 3.9158 3.9158 4.1567 4.1567 4.3377 4.3377 7.5738 7.5738 8.6337 8.6337 9.1501 9.1501 10.9931 10.9931 11.0329 11.0329 13.5813 13.5813 k = 0.5000 0.2887 0.2041 ( 9030 PWs) bands (ev): -38.3087 -38.3087 -38.2503 -38.2503 -15.1786 -15.1786 -15.1768 -15.1768 -12.2165 -12.2165 -12.2021 -12.2021 -12.1970 -12.1970 -2.1132 -2.1132 3.3607 3.3607 3.4908 3.4908 3.6840 3.6840 3.9158 3.9158 4.1567 4.1567 4.3377 4.3377 7.5738 7.5738 8.6337 8.6337 9.1501 9.1501 10.9931 10.9931 11.0329 11.0329 13.5813 13.5813 k = 0.5043 0.2762 0.2112 ( 9084 PWs) bands (ev): -38.3088 -38.3088 -38.2504 -38.2504 -15.1786 -15.1786 -15.1768 -15.1768 -12.2165 -12.2165 -12.2021 -12.2021 -12.1970 -12.1970 -2.1129 -2.1126 3.3608 3.3609 3.4899 3.4923 3.6758 3.6921 3.9070 3.9255 4.1570 4.1571 4.3364 4.3388 7.5507 7.5810 8.6098 8.6111 9.1612 9.1880 10.9958 10.9959 11.0389 11.0390 13.5823 13.5907 k = 0.5086 0.2638 0.2182 ( 9084 PWs) bands (ev): -38.3088 -38.3088 -38.2504 -38.2504 -15.1786 -15.1786 -15.1768 -15.1768 -12.2165 -12.2165 -12.2022 -12.2021 -12.1970 -12.1970 -2.1118 -2.1112 3.3612 3.3613 3.4895 3.4942 3.6678 3.7000 3.8993 3.9361 4.1579 4.1581 4.3349 4.3396 7.5122 7.5722 8.5473 8.5548 9.2136 9.2614 11.0026 11.0036 11.0579 11.0586 13.5937 13.6106 k = 0.5129 0.2513 0.2252 ( 9088 PWs) bands (ev): -38.3088 -38.3088 -38.2504 -38.2504 -15.1786 -15.1786 -15.1768 -15.1768 -12.2165 -12.2165 -12.2022 -12.2020 -12.1970 -12.1970 -2.1099 -2.1090 3.3618 3.3621 3.4897 3.4964 3.6600 3.7075 3.8929 3.9472 4.1593 4.1601 4.3333 4.3403 7.4593 7.5475 8.4643 8.4815 9.2891 9.3522 11.0133 11.0149 11.0907 11.0926 13.6150 13.6407 k = 0.5172 0.2389 0.2323 ( 9090 PWs) bands (ev): -38.3088 -38.3088 -38.2504 -38.2504 -15.1786 -15.1786 -15.1768 -15.1767 -12.2165 -12.2164 -12.2021 -12.2020 -12.1971 -12.1971 -2.1071 -2.1059 3.3625 3.3632 3.4907 3.4990 3.6524 3.7144 3.8880 3.9589 4.1613 4.1630 4.3314 4.3408 7.3934 7.5077 8.3731 8.4010 9.3746 9.4491 11.0290 11.0299 11.1375 11.1404 13.6460 13.6806 k = 0.5216 0.2265 0.2393 ( 9083 PWs) bands (ev): -38.3087 -38.3087 -38.2504 -38.2504 -15.1785 -15.1785 -15.1768 -15.1767 -12.2165 -12.2164 -12.2021 -12.2019 -12.1971 -12.1971 -2.1036 -2.1021 3.3632 3.3647 3.4924 3.5018 3.6452 3.7206 3.8849 3.9708 4.1636 4.1671 4.3294 4.3412 7.3162 7.4540 8.2801 8.3181 9.4627 9.5450 11.0499 11.0515 11.1974 11.2009 13.6858 13.7299 k = 0.5259 0.2140 0.2464 ( 9077 PWs) bands (ev): -38.3087 -38.3087 -38.2504 -38.2504 -15.1785 -15.1785 -15.1768 -15.1767 -12.2165 -12.2163 -12.2021 -12.2018 -12.1971 -12.1971 -2.0992 -2.0975 3.3638 3.3664 3.4950 3.5047 3.6385 3.7257 3.8837 3.9829 4.1665 4.1726 4.3272 4.3413 7.2293 7.3878 8.1883 8.2347 9.5486 9.6356 11.0760 11.0828 11.2694 11.2730 13.7337 13.7876 k = 0.5302 0.2016 0.2534 ( 9083 PWs) bands (ev): -38.3087 -38.3087 -38.2504 -38.2504 -15.1785 -15.1785 -15.1768 -15.1767 -12.2165 -12.2163 -12.2021 -12.2017 -12.1971 -12.1971 -2.0941 -2.0921 3.3643 3.3684 3.4984 3.5078 3.6323 3.7297 3.8845 3.9948 4.1698 4.1797 4.3249 4.3414 7.1347 7.3111 8.0991 8.1520 9.6291 9.7175 11.1098 11.1246 11.3525 11.3557 13.7884 13.8524 k = 0.5345 0.1891 0.2604 ( 9087 PWs) bands (ev): -38.3087 -38.3087 -38.2504 -38.2504 -15.1785 -15.1785 -15.1768 -15.1767 -12.2164 -12.2162 -12.2020 -12.2017 -12.1972 -12.1971 -2.0884 -2.0861 3.3645 3.3705 3.5027 3.5108 3.6267 3.7325 3.8874 4.0065 4.1735 4.1886 4.3224 4.3414 7.0341 7.2259 8.0128 8.0701 9.7019 9.7884 11.1525 11.1784 11.4456 11.4480 13.8481 13.9223 k = 0.5388 0.1767 0.2675 ( 9091 PWs) bands (ev): -38.3087 -38.3087 -38.2504 -38.2504 -15.1785 -15.1784 -15.1768 -15.1767 -12.2164 -12.2162 -12.2020 -12.2016 -12.1972 -12.1971 -2.0820 -2.0794 3.3643 3.3728 3.5080 3.5138 3.6217 3.7342 3.8923 4.0178 4.1775 4.1995 4.3200 4.3413 6.9291 7.1344 7.9293 7.9894 9.7652 9.8469 11.2050 11.2451 11.5477 11.5491 13.9103 13.9935 k = 0.5431 0.1642 0.2745 ( 9081 PWs) bands (ev): -38.3087 -38.3087 -38.2504 -38.2504 -15.1784 -15.1784 -15.1768 -15.1767 -12.2163 -12.2161 -12.2019 -12.2015 -12.1972 -12.1971 -2.0749 -2.0721 3.3638 3.3750 3.5142 3.5166 3.6175 3.7349 3.8989 4.0285 4.1820 4.2126 4.3175 4.3413 6.8211 7.0384 7.8483 7.9099 9.8183 9.8926 11.2678 11.3247 11.6579 11.6579 13.9708 14.0579 k = 0.5474 0.1518 0.2816 ( 9081 PWs) bands (ev): -38.3087 -38.3087 -38.2505 -38.2505 -15.1784 -15.1783 -15.1768 -15.1766 -12.2163 -12.2160 -12.2019 -12.2013 -12.1973 -12.1972 -2.0673 -2.0642 3.3627 3.3773 3.5193 3.5213 3.6140 3.7349 3.9069 4.0386 4.1867 4.2277 4.3151 4.3415 6.7112 6.9399 7.7696 7.8315 9.8609 9.9262 11.3407 11.4161 11.7737 11.7751 14.0224 14.0983 k = 0.5517 0.1394 0.2886 ( 9082 PWs) bands (ev): -38.3086 -38.3086 -38.2505 -38.2505 -15.1784 -15.1783 -15.1768 -15.1766 -12.2162 -12.2160 -12.2018 -12.2012 -12.1973 -12.1972 -2.0593 -2.0559 3.3611 3.3793 3.5218 3.5293 3.6113 3.7345 3.9161 4.0481 4.1916 4.2448 4.3129 4.3422 6.6006 6.8403 7.6927 7.7545 9.8934 9.9489 11.4229 11.5182 11.8953 11.8984 14.0532 14.0896 k = 0.5560 0.1269 0.2956 ( 9084 PWs) bands (ev): -38.3086 -38.3086 -38.2505 -38.2505 -15.1783 -15.1782 -15.1769 -15.1766 -12.2162 -12.2159 -12.2018 -12.2011 -12.1974 -12.1972 -2.0508 -2.0471 3.3589 3.3810 3.5241 3.5382 3.6095 3.7338 3.9263 4.0570 4.1966 4.2632 4.3111 4.3438 6.4901 6.7410 7.6177 7.6788 9.9169 9.9623 11.5133 11.6290 12.0219 12.0269 14.0269 14.0488 k = 0.5603 0.1145 0.3027 ( 9090 PWs) bands (ev): -38.3086 -38.3086 -38.2505 -38.2505 -15.1783 -15.1782 -15.1769 -15.1766 -12.2161 -12.2158 -12.2017 -12.2010 -12.1974 -12.1972 -2.0419 -2.0381 3.3560 3.3822 3.5263 3.5477 3.6083 3.7331 3.9371 4.0655 4.2014 4.2819 4.3097 4.3475 6.3805 6.6432 7.5444 7.6047 9.9325 9.9682 11.6102 11.7467 12.1523 12.1594 13.9328 14.0029 k = 0.5647 0.1020 0.3097 ( 9094 PWs) bands (ev): -38.3086 -38.3086 -38.2505 -38.2505 -15.1783 -15.1781 -15.1769 -15.1766 -12.2161 -12.2158 -12.2016 -12.2008 -12.1975 -12.1972 -2.0328 -2.0287 3.3526 3.3829 3.5286 3.5579 3.6078 3.7325 3.9484 4.0737 4.2058 4.2985 4.3091 4.3554 6.2726 6.5479 7.4727 7.5322 9.9414 9.9681 11.7120 11.8697 12.2851 12.2947 13.8264 13.9249 k = 0.5690 0.0896 0.3167 ( 9094 PWs) bands (ev): -38.3086 -38.3086 -38.2506 -38.2506 -15.1782 -15.1781 -15.1769 -15.1765 -12.2160 -12.2157 -12.2016 -12.2007 -12.1976 -12.1972 -2.0235 -2.0192 3.3486 3.3829 3.5309 3.5686 3.6079 3.7322 3.9600 4.0818 4.2095 4.3092 4.3102 4.3702 6.1670 6.4559 7.4028 7.4614 9.9450 9.9634 11.8168 11.9964 12.4185 12.4315 13.7176 13.8300 k = 0.5733 0.0771 0.3238 ( 9098 PWs) bands (ev): -38.3085 -38.3085 -38.2506 -38.2506 -15.1782 -15.1780 -15.1769 -15.1765 -12.2160 -12.2156 -12.2015 -12.2005 -12.1976 -12.1972 -2.0141 -2.0096 3.3439 3.3821 3.5335 3.5796 3.6083 3.7322 3.9720 4.0897 4.2124 4.3104 4.3168 4.3922 6.0642 6.3681 7.3348 7.3926 9.9442 9.9551 11.9224 12.1251 12.5500 12.5674 13.6129 13.7303 k = 0.5776 0.0647 0.3308 ( 9090 PWs) bands (ev): -38.3085 -38.3085 -38.2506 -38.2506 -15.1782 -15.1780 -15.1769 -15.1765 -12.2159 -12.2156 -12.2014 -12.2004 -12.1977 -12.1972 -2.0047 -2.0000 3.3387 3.3805 3.5365 3.5908 3.6091 3.7326 3.9841 4.0976 4.2142 4.3125 4.3203 4.4189 5.9648 6.2852 7.2686 7.3259 9.9401 9.9442 12.0264 12.2540 12.6753 12.6987 13.5186 13.6356 k = 0.5819 0.0523 0.3379 ( 9091 PWs) bands (ev): -38.3085 -38.3085 -38.2506 -38.2506 -15.1782 -15.1779 -15.1769 -15.1765 -12.2158 -12.2155 -12.2014 -12.2002 -12.1978 -12.1972 -1.9953 -1.9905 3.3330 3.3779 3.5398 3.6020 3.6100 3.7334 3.9964 4.1055 4.2151 4.3155 4.3227 4.4484 5.8695 6.2079 7.2046 7.2614 9.9315 9.9335 12.1254 12.3808 12.7870 12.8181 13.4446 13.5572 k = 0.5862 0.0398 0.3449 ( 9099 PWs) bands (ev): -38.3085 -38.3085 -38.2506 -38.2506 -15.1781 -15.1778 -15.1770 -15.1764 -12.2158 -12.2155 -12.2013 -12.2000 -12.1979 -12.1972 -1.9862 -1.9812 3.3268 3.3746 3.5435 3.6110 3.6130 3.7346 4.0087 4.1134 4.2152 4.3189 4.3247 4.4796 5.7788 6.1368 7.1427 7.1993 9.9175 9.9249 12.2144 12.5010 12.8731 12.9118 13.4084 13.5110 k = 0.5905 0.0274 0.3519 ( 9097 PWs) bands (ev): -38.3085 -38.3085 -38.2507 -38.2507 -15.1781 -15.1778 -15.1770 -15.1764 -12.2157 -12.2154 -12.2013 -12.1999 -12.1979 -12.1972 -1.9773 -1.9722 3.3201 3.3703 3.5475 3.6121 3.6235 3.7362 4.0210 4.1211 4.2149 4.3225 4.3268 4.5118 5.6934 6.0725 7.0832 7.1398 9.9026 9.9151 12.2864 12.6043 12.9247 12.9648 13.4306 13.5152 k = 0.5948 0.0149 0.3590 ( 9100 PWs) bands (ev): -38.3084 -38.3084 -38.2507 -38.2507 -15.1781 -15.1777 -15.1770 -15.1764 -12.2157 -12.2154 -12.2012 -12.1997 -12.1980 -12.1972 -1.9688 -1.9635 3.3131 3.3654 3.5516 3.6131 3.6333 3.7382 4.0331 4.1286 4.2146 4.3258 4.3293 4.5444 5.6141 6.0155 7.0262 7.0831 9.8874 9.9043 12.3316 12.6658 12.9624 12.9868 13.5092 13.5723 k = 0.5991 0.0025 0.3660 ( 9099 PWs) bands (ev): -38.3084 -38.3084 -38.2507 -38.2507 -15.1781 -15.1777 -15.1770 -15.1764 -12.2157 -12.2154 -12.2011 -12.1996 -12.1981 -12.1972 -1.9607 -1.9554 3.3057 3.3597 3.5558 3.6141 3.6422 3.7405 4.0446 4.1357 4.2150 4.3286 4.3324 4.5765 5.5418 5.9663 6.9719 7.0292 9.8721 9.8930 12.3416 12.6592 13.0083 13.0275 13.6197 13.6647 k = 0.6034-0.0100 0.3731 ( 9101 PWs) bands (ev): -38.3084 -38.3084 -38.2507 -38.2507 -15.1780 -15.1776 -15.1771 -15.1764 -12.2156 -12.2153 -12.2011 -12.1994 -12.1982 -12.1972 -1.9533 -1.9479 3.2981 3.3534 3.5598 3.6152 3.6499 3.7431 4.0551 4.1422 4.2168 4.3305 4.3360 4.6075 5.4777 5.9253 6.9204 6.9785 9.8570 9.8816 12.3160 12.6010 13.0467 13.1195 13.7424 13.7733 k = 0.6078-0.0224 0.3801 ( 9091 PWs) bands (ev): -38.3084 -38.3084 -38.2507 -38.2507 -15.1780 -15.1775 -15.1771 -15.1763 -12.2156 -12.2153 -12.2010 -12.1993 -12.1982 -12.1972 -1.9465 -1.9411 3.2904 3.3466 3.5635 3.6164 3.6563 3.7459 4.0640 4.1480 4.2208 4.3315 4.3402 4.6365 5.4229 5.8925 6.8719 6.9310 9.8422 9.8701 12.2627 12.5190 13.1011 13.2189 13.8669 13.8857 k = 0.6121-0.0348 0.3871 ( 9090 PWs) bands (ev): -38.3084 -38.3084 -38.2507 -38.2507 -15.1780 -15.1775 -15.1771 -15.1763 -12.2156 -12.2153 -12.2010 -12.1991 -12.1983 -12.1972 -1.9405 -1.9351 3.2824 3.3393 3.5667 3.6178 3.6613 3.7486 4.0706 4.1530 4.2275 4.3320 4.3447 4.6625 5.3789 5.8682 6.8265 6.8870 9.8280 9.8589 12.1919 12.4270 13.1639 13.3147 13.9864 13.9946 k = 0.6164-0.0473 0.3942 ( 9090 PWs) bands (ev): -38.3084 -38.3084 -38.2507 -38.2507 -15.1780 -15.1774 -15.1772 -15.1763 -12.2156 -12.2153 -12.2010 -12.1990 -12.1984 -12.1971 -1.9354 -1.9300 3.2745 3.3317 3.5691 3.6194 3.6647 3.7512 4.0746 4.1571 4.2369 4.3326 4.3490 4.6846 5.3471 5.8523 6.7845 6.8465 9.8144 9.8482 12.1112 12.3310 13.2281 13.4016 14.0950 14.0961 k = 0.6207-0.0597 0.4012 ( 9086 PWs) bands (ev): -38.3084 -38.3084 -38.2507 -38.2507 -15.1780 -15.1774 -15.1772 -15.1763 -12.2155 -12.2153 -12.2009 -12.1990 -12.1984 -12.1971 -1.9312 -1.9259 3.2666 3.3238 3.5706 3.6213 3.6666 3.7534 4.0759 4.1602 4.2478 4.3349 4.3524 4.7026 5.3285 5.8445 6.7460 6.8099 9.8017 9.8380 12.0254 12.2339 13.2886 13.4760 14.1833 14.1914 k = 0.6250-0.0722 0.4082 ( 9078 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2507 -15.1779 -15.1774 -15.1772 -15.1763 -12.2155 -12.2153 -12.2009 -12.1989 -12.1983 -12.1971 -1.9281 -1.9228 3.2587 3.3157 3.5713 3.6235 3.6668 3.7551 4.0748 4.1625 4.2575 4.3417 4.3543 4.7169 5.3236 5.8445 6.7112 6.7772 9.7899 9.8285 11.9375 12.1373 13.3425 13.5360 14.2570 14.2692 k = 0.6250-0.0722 0.4082 ( 9078 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2507 -15.1779 -15.1774 -15.1772 -15.1763 -12.2155 -12.2153 -12.2009 -12.1989 -12.1983 -12.1971 -1.9281 -1.9228 3.2587 3.3157 3.5713 3.6235 3.6668 3.7551 4.0748 4.1625 4.2575 4.3417 4.3543 4.7169 5.3236 5.8445 6.7112 6.7772 9.7899 9.8285 11.9375 12.1373 13.3425 13.5360 14.2570 14.2692 k = 0.6176-0.0679 0.4203 ( 9080 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2507 -15.1779 -15.1774 -15.1772 -15.1763 -12.2155 -12.2153 -12.2009 -12.1989 -12.1983 -12.1971 -1.9280 -1.9227 3.2594 3.3165 3.5709 3.6232 3.6668 3.7546 4.0746 4.1613 4.2577 4.3422 4.3550 4.7179 5.3238 5.8452 6.7030 6.7746 9.7983 9.8377 11.9373 12.1379 13.3259 13.5173 14.2350 14.3252 k = 0.6103-0.0637 0.4323 ( 9075 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2507 -15.1779 -15.1774 -15.1772 -15.1763 -12.2155 -12.2153 -12.2009 -12.1989 -12.1983 -12.1971 -1.9276 -1.9223 3.2616 3.3187 3.5697 3.6224 3.6668 3.7531 4.0743 4.1579 4.2581 4.3441 4.3571 4.7209 5.3243 5.8471 6.6796 6.7657 9.8233 9.8649 11.9367 12.1396 13.2798 13.4653 14.2407 14.4131 k = 0.6029-0.0594 0.4443 ( 9081 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2507 -15.1779 -15.1774 -15.1772 -15.1763 -12.2155 -12.2153 -12.2009 -12.1989 -12.1983 -12.1972 -1.9270 -1.9216 3.2652 3.3224 3.5677 3.6211 3.6668 3.7507 4.0736 4.1530 4.2581 4.3473 4.3605 4.7257 5.3253 5.8502 6.6441 6.7493 9.8644 9.9090 11.9357 12.1424 13.2126 13.3891 14.2693 14.5183 k = 0.5956-0.0552 0.4563 ( 9089 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1779 -15.1774 -15.1772 -15.1763 -12.2155 -12.2153 -12.2009 -12.1989 -12.1984 -12.1972 -1.9262 -1.9207 3.2702 3.3274 3.5647 3.6196 3.6666 3.7472 4.0727 4.1473 4.2572 4.3519 4.3651 4.7319 5.3268 5.8544 6.5990 6.7252 9.9206 9.9682 11.9339 12.1464 13.1317 13.2987 14.3060 14.6325 k = 0.5882-0.0509 0.4683 ( 9087 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1779 -15.1774 -15.1772 -15.1763 -12.2155 -12.2153 -12.2008 -12.1989 -12.1984 -12.1972 -1.9251 -1.9196 3.2765 3.3339 3.5608 3.6180 3.6663 3.7429 4.0714 4.1413 4.2555 4.3569 4.3713 4.7392 5.3290 5.8596 6.5467 6.6941 9.9904 10.0407 11.9311 12.1517 13.0430 13.2013 14.3352 14.7185 k = 0.5809-0.0467 0.4803 ( 9093 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1779 -15.1774 -15.1772 -15.1763 -12.2155 -12.2153 -12.2008 -12.1988 -12.1984 -12.1973 -1.9239 -1.9183 3.2841 3.3415 3.5559 3.6165 3.6658 3.7376 4.0697 4.1355 4.2530 4.3618 4.3793 4.7471 5.3320 5.8655 6.4893 6.6572 10.0721 10.1244 11.9268 12.1581 12.9502 13.1020 14.3412 14.6268 k = 0.5735-0.0425 0.4923 ( 9081 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1779 -15.1774 -15.1772 -15.1763 -12.2154 -12.2153 -12.2008 -12.1988 -12.1984 -12.1973 -1.9225 -1.9169 3.2927 3.3503 3.5499 3.6152 3.6652 3.7316 4.0678 4.1302 4.2500 4.3663 4.3887 4.7550 5.3359 5.8719 6.4289 6.6161 10.1636 10.2170 11.9205 12.1658 12.8560 13.0045 14.3134 14.5136 k = 0.5662-0.0382 0.5043 ( 9090 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1778 -15.1774 -15.1772 -15.1763 -12.2154 -12.2152 -12.2008 -12.1988 -12.1984 -12.1974 -1.9210 -1.9153 3.3023 3.3600 3.5430 3.6142 3.6643 3.7248 4.0655 4.1257 4.2469 4.3705 4.3989 4.7626 5.3409 5.8783 6.3678 6.5723 10.2626 10.3162 11.9116 12.1748 12.7625 12.9114 14.2551 14.4016 k = 0.5588-0.0340 0.5163 ( 9087 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1778 -15.1774 -15.1772 -15.1763 -12.2154 -12.2152 -12.2008 -12.1987 -12.1984 -12.1974 -1.9195 -1.9136 3.3126 3.3705 3.5353 3.6137 3.6632 3.7175 4.0631 4.1219 4.2439 4.3746 4.4091 4.7694 5.3472 5.8837 6.3083 6.5273 10.3665 10.4195 11.8994 12.1854 12.6712 12.8250 14.1782 14.2926 k = 0.5515-0.0297 0.5283 ( 9087 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1778 -15.1774 -15.1772 -15.1762 -12.2154 -12.2152 -12.2007 -12.1987 -12.1984 -12.1975 -1.9179 -1.9119 3.3235 3.3816 3.5268 3.6136 3.6619 3.7097 4.0607 4.1187 4.2411 4.3786 4.4190 4.7750 5.3545 5.8872 6.2532 6.4825 10.4726 10.5242 11.8834 12.1975 12.5841 12.7471 14.0934 14.1880 k = 0.5441-0.0255 0.5403 ( 9083 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1777 -15.1775 -15.1772 -15.1762 -12.2154 -12.2152 -12.2007 -12.1986 -12.1984 -12.1975 -1.9163 -1.9103 3.3346 3.3929 3.5179 3.6140 3.6603 3.7019 4.0585 4.1162 4.2387 4.3825 4.4281 4.7792 5.3629 5.8870 6.2055 6.4393 10.5776 10.6274 11.8634 12.2113 12.5031 12.6791 14.0080 14.0892 k = 0.5368-0.0212 0.5523 ( 9084 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1777 -15.1775 -15.1772 -15.1762 -12.2153 -12.2152 -12.2007 -12.1986 -12.1984 -12.1976 -1.9148 -1.9087 3.3456 3.4042 3.5087 3.6148 3.6587 3.6941 4.0566 4.1142 4.2367 4.3864 4.4360 4.7819 5.3719 5.8815 6.1683 6.3989 10.6775 10.7256 11.8403 12.2262 12.4313 12.6216 13.9266 13.9979 k = 0.5294-0.0170 0.5643 ( 9086 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1777 -15.1775 -15.1772 -15.1762 -12.2153 -12.2152 -12.2007 -12.1986 -12.1984 -12.1977 -1.9134 -1.9073 3.3561 3.4150 3.4996 3.6160 3.6569 3.6868 4.0551 4.1125 4.2352 4.3900 4.4425 4.7833 5.3809 5.8701 6.1434 6.3626 10.7678 10.8149 11.8158 12.2399 12.3735 12.5741 13.8528 13.9160 k = 0.5221-0.0127 0.5764 ( 9086 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1777 -15.1775 -15.1772 -15.1762 -12.2153 -12.2152 -12.2007 -12.1985 -12.1984 -12.1977 -1.9123 -1.9060 3.3654 3.4247 3.4910 3.6174 3.6552 3.6804 4.0540 4.1112 4.2340 4.3933 4.4474 4.7835 5.3891 5.8547 6.1302 6.3317 10.8436 10.8909 11.7929 12.2439 12.3408 12.5353 13.7898 13.8462 k = 0.5147-0.0085 0.5884 ( 9088 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1776 -15.1775 -15.1772 -15.1762 -12.2153 -12.2152 -12.2006 -12.1985 -12.1983 -12.1978 -1.9113 -1.9051 3.3729 3.4327 3.4837 3.6188 3.6539 3.6752 4.0534 4.1101 4.2333 4.3961 4.4506 4.7831 5.3955 5.8391 6.1255 6.3076 10.9001 10.9487 11.7753 12.2308 12.3418 12.5035 13.7409 13.7916 k = 0.5074-0.0042 0.6004 ( 9084 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1776 -15.1776 -15.1773 -15.1762 -12.2153 -12.2152 -12.2006 -12.1985 -12.1983 -12.1978 -1.9107 -1.9045 3.3779 3.4380 3.4788 3.6198 3.6531 3.6717 4.0532 4.1095 4.2330 4.3981 4.4523 4.7824 5.3995 5.8277 6.1251 6.2922 10.9344 10.9841 11.7653 12.2153 12.3597 12.4785 13.7091 13.7560 k = 0.5000-0.0000 0.6124 ( 9076 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1776 -15.1776 -15.1773 -15.1762 -12.2153 -12.2151 -12.2006 -12.1985 -12.1983 -12.1978 -1.9105 -1.9042 3.3797 3.4397 3.4772 3.6202 3.6529 3.6704 4.0532 4.1092 4.2329 4.3989 4.4527 4.7820 5.4007 5.8235 6.1255 6.2869 10.9456 10.9956 11.7627 12.2093 12.3711 12.4670 13.6978 13.7434 k = 0.5000-0.0000 0.6124 ( 9076 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1776 -15.1776 -15.1773 -15.1762 -12.2153 -12.2151 -12.2006 -12.1985 -12.1983 -12.1978 -1.9105 -1.9042 3.3797 3.4397 3.4772 3.6202 3.6529 3.6704 4.0532 4.1092 4.2329 4.3989 4.4527 4.7820 5.4007 5.8235 6.1255 6.2869 10.9456 10.9956 11.7627 12.2093 12.3711 12.4670 13.6978 13.7434 k = 0.5000 0.0087 0.6000 ( 9084 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1776 -15.1776 -15.1772 -15.1762 -12.2153 -12.2152 -12.2006 -12.1985 -12.1983 -12.1978 -1.9110 -1.9047 3.3797 3.4392 3.4775 3.6194 3.6530 3.6712 4.0532 4.1090 4.2330 4.3981 4.4509 4.7822 5.3973 5.8313 6.1235 6.2974 10.9419 10.9902 11.7619 12.2019 12.3630 12.4902 13.6996 13.7515 k = 0.5000 0.0175 0.5876 ( 9088 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1776 -15.1776 -15.1772 -15.1762 -12.2153 -12.2152 -12.2007 -12.1985 -12.1983 -12.1978 -1.9125 -1.9062 3.3796 3.4375 3.4786 3.6170 3.6534 3.6733 4.0532 4.1085 4.2332 4.3955 4.4461 4.7822 5.3893 5.8524 6.1213 6.3260 10.9311 10.9744 11.7592 12.1777 12.3601 12.5401 13.7073 13.7737 k = 0.5000 0.0262 0.5753 ( 9064 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1776 -15.1776 -15.1772 -15.1762 -12.2153 -12.2152 -12.2007 -12.1986 -12.1983 -12.1977 -1.9150 -1.9087 3.3795 3.4348 3.4802 3.6135 3.6539 3.6763 4.0530 4.1076 4.2336 4.3912 4.4388 4.7804 5.3812 5.8812 6.1262 6.3673 10.9136 10.9494 11.7538 12.1383 12.3768 12.6009 13.7231 13.8064 k = 0.5000 0.0350 0.5629 ( 9072 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1777 -15.1776 -15.1772 -15.1762 -12.2153 -12.2152 -12.2007 -12.1987 -12.1983 -12.1977 -1.9184 -1.9122 3.3794 3.4314 3.4823 3.6091 3.6544 3.6801 4.0524 4.1067 4.2341 4.3850 4.4303 4.7748 5.3780 5.9109 6.1448 6.4174 10.8900 10.9165 11.7447 12.0899 12.4109 12.6683 13.7483 13.8471 k = 0.5000 0.0437 0.5505 ( 9072 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1777 -15.1776 -15.1772 -15.1762 -12.2153 -12.2152 -12.2007 -12.1988 -12.1983 -12.1976 -1.9227 -1.9166 3.3792 3.4275 3.4848 3.6043 3.6546 3.6842 4.0512 4.1057 4.2346 4.3768 4.4213 4.7634 5.3836 5.9372 6.1806 6.4742 10.8611 10.8773 11.7313 12.0371 12.4582 12.7410 13.7826 13.8938 k = 0.5000 0.0525 0.5381 ( 9092 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1777 -15.1777 -15.1771 -15.1763 -12.2154 -12.2152 -12.2008 -12.1989 -12.1982 -12.1976 -1.9279 -1.9218 3.3790 3.4233 3.4876 3.5994 3.6542 3.6886 4.0493 4.1048 4.2351 4.3671 4.4124 4.7455 5.4003 5.9601 6.2327 6.5364 10.8277 10.8334 11.7132 11.9824 12.5160 12.8186 13.8258 13.9435 k = 0.5000 0.0612 0.5258 ( 9088 PWs) bands (ev): -38.3084 -38.3084 -38.2507 -38.2507 -15.1778 -15.1777 -15.1771 -15.1763 -12.2154 -12.2152 -12.2008 -12.1991 -12.1982 -12.1976 -1.9339 -1.9279 3.3788 3.4189 3.4907 3.5944 3.6531 3.6931 4.0463 4.1040 4.2355 4.3564 4.4038 4.7212 5.4288 5.9826 6.2973 6.6029 10.7859 10.7906 11.6907 11.9268 12.5820 12.9011 13.8769 13.9923 k = 0.5000 0.0700 0.5134 ( 9086 PWs) bands (ev): -38.3084 -38.3084 -38.2507 -38.2507 -15.1778 -15.1777 -15.1771 -15.1763 -12.2155 -12.2153 -12.2009 -12.1992 -12.1981 -12.1975 -1.9406 -1.9347 3.3786 3.4144 3.4939 3.5896 3.6512 3.6977 4.0423 4.1033 4.2357 4.3455 4.3954 4.6915 5.4685 6.0077 6.3708 6.6732 10.7359 10.7505 11.6641 11.8712 12.6543 12.9882 13.9350 14.0320 k = 0.5000 0.0787 0.5010 ( 9086 PWs) bands (ev): -38.3084 -38.3084 -38.2507 -38.2507 -15.1778 -15.1778 -15.1771 -15.1763 -12.2155 -12.2153 -12.2010 -12.1994 -12.1981 -12.1975 -1.9480 -1.9422 3.3783 3.4100 3.4972 3.5850 3.6484 3.7021 4.0372 4.1023 4.2356 4.3350 4.3873 4.6578 5.5183 6.0375 6.4505 6.7467 10.6841 10.7081 11.6340 11.8158 12.7308 13.0797 13.9987 14.0466 k = 0.5000 0.0875 0.4887 ( 9094 PWs) bands (ev): -38.3084 -38.3084 -38.2507 -38.2507 -15.1779 -15.1778 -15.1770 -15.1763 -12.2156 -12.2153 -12.2010 -12.1995 -12.1980 -12.1974 -1.9560 -1.9503 3.3780 3.4058 3.5006 3.5806 3.6448 3.7063 4.0310 4.1010 4.2352 4.3255 4.3794 4.6214 5.5771 6.0732 6.5347 6.8229 10.6311 10.6639 11.6012 11.7612 12.8090 13.1755 14.0088 14.0691 k = 0.5000 0.0962 0.4763 ( 9092 PWs) bands (ev): -38.3084 -38.3084 -38.2507 -38.2507 -15.1779 -15.1778 -15.1770 -15.1764 -12.2156 -12.2154 -12.2011 -12.1997 -12.1979 -12.1974 -1.9644 -1.9589 3.3776 3.4018 3.5039 3.5766 3.6405 3.7103 4.0239 4.0990 4.2343 4.3172 4.3719 4.5837 5.6437 6.1152 6.6224 6.9015 10.5774 10.6184 11.5661 11.7075 12.8853 13.2752 13.9167 14.1128 k = 0.5000 0.1050 0.4639 ( 9094 PWs) bands (ev): -38.3084 -38.3084 -38.2507 -38.2507 -15.1780 -15.1779 -15.1770 -15.1764 -12.2157 -12.2154 -12.2012 -12.1999 -12.1979 -12.1974 -1.9733 -1.9680 3.3772 3.3981 3.5071 3.5727 3.6356 3.7139 4.0158 4.0963 4.2329 4.3103 4.3651 4.5454 5.7173 6.1639 6.7128 6.9820 10.5232 10.5717 11.5295 11.6549 12.9530 13.3783 13.7889 13.9467 k = 0.5000 0.1137 0.4515 ( 9100 PWs) bands (ev): -38.3085 -38.3085 -38.2507 -38.2506 -15.1780 -15.1779 -15.1770 -15.1764 -12.2157 -12.2155 -12.2013 -12.2000 -12.1978 -12.1974 -1.9826 -1.9774 3.3767 3.3947 3.5101 3.5690 3.6304 3.7171 4.0069 4.0929 4.2308 4.3050 4.3590 4.5075 5.7969 6.2191 6.8053 7.0642 10.4686 10.5242 11.4918 11.6036 12.9994 13.4844 13.6387 13.7835 k = 0.5000 0.1225 0.4392 ( 9102 PWs) bands (ev): -38.3085 -38.3085 -38.2506 -38.2506 -15.1781 -15.1780 -15.1770 -15.1764 -12.2158 -12.2155 -12.2013 -12.2002 -12.1977 -12.1973 -1.9921 -1.9871 3.3761 3.3917 3.5128 3.5653 3.6251 3.7200 3.9973 4.0888 4.2279 4.3010 4.3538 4.4705 5.8822 6.2807 6.8995 7.1476 10.4138 10.4760 11.4535 11.5537 13.0027 13.4608 13.5931 13.6809 k = 0.5000 0.1312 0.4268 ( 9098 PWs) bands (ev): -38.3085 -38.3085 -38.2506 -38.2506 -15.1781 -15.1780 -15.1769 -15.1765 -12.2159 -12.2156 -12.2014 -12.2003 -12.1977 -12.1973 -2.0017 -1.9969 3.3755 3.3890 3.5151 3.5615 3.6201 3.7226 3.9869 4.0842 4.2243 4.2984 4.3496 4.4349 5.9723 6.3483 6.9949 7.2319 10.3587 10.4271 11.4151 11.5054 12.9440 13.2654 13.6560 13.7026 k = 0.5000 0.1400 0.4144 ( 9100 PWs) bands (ev): -38.3085 -38.3085 -38.2506 -38.2506 -15.1781 -15.1781 -15.1769 -15.1765 -12.2159 -12.2156 -12.2015 -12.2005 -12.1976 -12.1973 -2.0114 -2.0068 3.3747 3.3865 3.5168 3.5574 3.6156 3.7249 3.9759 4.0790 4.2200 4.2967 4.3462 4.4013 6.0670 6.4216 7.0913 7.3169 10.3032 10.3774 11.3770 11.4588 12.8316 13.0651 13.6915 13.8114 k = 0.5000 0.1487 0.4021 ( 9096 PWs) bands (ev): -38.3086 -38.3086 -38.2506 -38.2506 -15.1782 -15.1781 -15.1769 -15.1765 -12.2160 -12.2157 -12.2016 -12.2006 -12.1976 -12.1973 -2.0211 -2.0167 3.3739 3.3843 3.5180 3.5528 3.6122 3.7270 3.9645 4.0734 4.2151 4.2955 4.3436 4.3705 6.1655 6.5001 7.1884 7.4023 10.2470 10.3268 11.3394 11.4139 12.6886 12.8655 13.7603 13.9165 k = 0.5000 0.1575 0.3897 ( 9094 PWs) bands (ev): -38.3086 -38.3086 -38.2505 -38.2505 -15.1782 -15.1782 -15.1769 -15.1766 -12.2160 -12.2157 -12.2016 -12.2008 -12.1975 -12.1973 -2.0306 -2.0264 3.3731 3.3823 3.5186 3.5476 3.6098 3.7289 3.9530 4.0675 4.2098 4.2932 4.3387 4.3467 6.2676 6.5832 7.2860 7.4877 10.1900 10.2749 11.3027 11.3708 12.5317 12.6693 13.8430 14.0127 k = 0.5000 0.1662 0.3773 ( 9090 PWs) bands (ev): -38.3086 -38.3086 -38.2505 -38.2505 -15.1783 -15.1782 -15.1769 -15.1766 -12.2161 -12.2158 -12.2017 -12.2009 -12.1974 -12.1972 -2.0400 -2.0360 3.3722 3.3804 3.5184 3.5420 3.6088 3.7306 3.9414 4.0610 4.2042 4.2861 4.3228 4.3423 6.3725 6.6703 7.3838 7.5729 10.1317 10.2213 11.2671 11.3296 12.3699 12.4781 13.9257 14.0914 k = 0.5000 0.1750 0.3649 ( 9090 PWs) bands (ev): -38.3086 -38.3086 -38.2505 -38.2505 -15.1783 -15.1783 -15.1769 -15.1766 -12.2162 -12.2159 -12.2018 -12.2011 -12.1974 -12.1972 -2.0490 -2.0453 3.3713 3.3785 3.5175 3.5360 3.6091 3.7321 3.9301 4.0541 4.1986 4.2705 4.3154 4.3414 6.4798 6.7606 7.4816 7.6577 10.0717 10.1656 11.2328 11.2904 12.2082 12.2935 13.9928 14.1425 k = 0.5000 0.1837 0.3526 ( 9086 PWs) bands (ev): -38.3086 -38.3086 -38.2505 -38.2505 -15.1783 -15.1783 -15.1768 -15.1766 -12.2162 -12.2159 -12.2018 -12.2012 -12.1973 -12.1972 -2.0578 -2.0543 3.3704 3.3767 3.5158 3.5301 3.6105 3.7334 3.9193 4.0464 4.1931 4.2512 4.3143 4.3410 6.5887 6.8533 7.5794 7.7418 10.0095 10.1070 11.2001 11.2532 12.0497 12.1169 14.0242 14.1589 k = 0.5000 0.1925 0.3402 ( 9072 PWs) bands (ev): -38.3086 -38.3086 -38.2505 -38.2505 -15.1784 -15.1783 -15.1768 -15.1766 -12.2163 -12.2160 -12.2019 -12.2013 -12.1973 -12.1972 -2.0660 -2.0629 3.3696 3.3749 3.5132 3.5246 3.6131 3.7343 3.9094 4.0379 4.1879 4.2326 4.3155 4.3410 6.6985 6.9472 7.6770 7.8253 9.9444 10.0447 11.1692 11.2181 11.8969 11.9499 14.0121 14.1359 k = 0.5000 0.2012 0.3278 ( 9088 PWs) bands (ev): -38.3087 -38.3087 -38.2505 -38.2504 -15.1784 -15.1784 -15.1768 -15.1767 -12.2163 -12.2161 -12.2019 -12.2014 -12.1972 -12.1972 -2.0738 -2.0709 3.3686 3.3730 3.5098 3.5198 3.6165 3.7346 3.9007 4.0286 4.1829 4.2161 4.3175 4.3410 6.8082 7.0412 7.7745 7.9080 9.8758 9.9780 11.1403 11.1851 11.7517 11.7940 13.9699 14.0800 k = 0.5000 0.2099 0.3155 ( 9090 PWs) bands (ev): -38.3087 -38.3087 -38.2504 -38.2504 -15.1784 -15.1784 -15.1768 -15.1767 -12.2164 -12.2161 -12.2020 -12.2015 -12.1972 -12.1971 -2.0810 -2.0784 3.3677 3.3712 3.5058 3.5156 3.6209 3.7341 3.8935 4.0184 4.1783 4.2019 4.3198 4.3412 6.9168 7.1337 7.8720 7.9901 9.8032 9.9058 11.1136 11.1544 11.6158 11.6507 13.9135 14.0084 k = 0.5000 0.2187 0.3031 ( 9092 PWs) bands (ev): -38.3087 -38.3087 -38.2504 -38.2504 -15.1785 -15.1785 -15.1768 -15.1767 -12.2164 -12.2162 -12.2020 -12.2016 -12.1972 -12.1971 -2.0877 -2.0853 3.3667 3.3693 3.5018 3.5119 3.6259 3.7327 3.8882 4.0074 4.1740 4.1902 4.3222 4.3413 7.0228 7.2230 7.9697 8.0717 9.7261 9.8276 11.0892 11.1259 11.4913 11.5212 13.8527 13.9331 k = 0.5000 0.2274 0.2907 ( 9086 PWs) bands (ev): -38.3087 -38.3087 -38.2504 -38.2504 -15.1785 -15.1785 -15.1768 -15.1767 -12.2165 -12.2163 -12.2021 -12.2017 -12.1971 -12.1971 -2.0936 -2.0915 3.3657 3.3676 3.4981 3.5085 3.6316 3.7300 3.8849 3.9958 4.1702 4.1807 4.3246 4.3414 7.1249 7.3071 8.0677 8.1533 9.6445 9.7430 11.0674 11.0997 11.3798 11.4062 13.7930 13.8604 k = 0.5000 0.2362 0.2784 ( 9082 PWs) bands (ev): -38.3087 -38.3087 -38.2504 -38.2504 -15.1785 -15.1785 -15.1768 -15.1767 -12.2165 -12.2163 -12.2021 -12.2018 -12.1971 -12.1971 -2.0988 -2.0970 3.3647 3.3659 3.4949 3.5052 3.6379 3.7261 3.8837 3.9838 4.1668 4.1732 4.3270 4.3413 7.2213 7.3837 8.1663 8.2351 9.5587 9.6521 11.0484 11.0760 11.2830 11.3063 13.7377 13.7934 k = 0.5000 0.2449 0.2660 ( 9084 PWs) bands (ev): -38.3087 -38.3087 -38.2504 -38.2504 -15.1785 -15.1785 -15.1768 -15.1767 -12.2165 -12.2164 -12.2021 -12.2019 -12.1971 -12.1971 -2.1033 -2.1018 3.3637 3.3644 3.4925 3.5021 3.6447 3.7210 3.8848 3.9717 4.1639 4.1675 4.3292 4.3412 7.3100 7.4505 8.2652 8.3173 9.4697 9.5558 11.0322 11.0546 11.2020 11.2216 13.6889 13.7340 k = 0.5000 0.2537 0.2536 ( 9084 PWs) bands (ev): -38.3087 -38.3087 -38.2504 -38.2504 -15.1786 -15.1786 -15.1768 -15.1767 -12.2165 -12.2164 -12.2021 -12.2020 -12.1971 -12.1971 -2.1069 -2.1057 3.3627 3.3631 3.4907 3.4992 3.6520 3.7148 3.8878 3.9596 4.1614 4.1632 4.3313 4.3408 7.3891 7.5052 8.3636 8.3994 9.3797 9.4562 11.0191 11.0357 11.1373 11.1525 13.6480 13.6833 k = 0.5000 0.2624 0.2412 ( 9080 PWs) bands (ev): -38.3088 -38.3088 -38.2504 -38.2504 -15.1786 -15.1786 -15.1768 -15.1768 -12.2165 -12.2165 -12.2021 -12.2020 -12.1970 -12.1970 -2.1098 -2.1089 3.3619 3.3621 3.4898 3.4965 3.6596 3.7078 3.8926 3.9477 4.1594 4.1602 4.3332 4.3404 7.4566 7.5461 8.4587 8.4796 9.2926 9.3568 11.0088 11.0192 11.0892 11.0989 13.6162 13.6422 k = 0.5000 0.2712 0.2289 ( 9082 PWs) bands (ev): -38.3088 -38.3088 -38.2504 -38.2504 -15.1786 -15.1786 -15.1768 -15.1768 -12.2165 -12.2165 -12.2022 -12.2021 -12.1970 -12.1970 -2.1118 -2.1112 3.3613 3.3613 3.4895 3.4942 3.6676 3.7002 3.8991 3.9364 4.1580 4.1582 4.3349 4.3397 7.5108 7.5717 8.5446 8.5533 9.2155 9.2639 11.0011 11.0056 11.0570 11.0611 13.5941 13.6113 k = 0.5000 0.2799 0.2165 ( 9082 PWs) bands (ev): -38.3088 -38.3088 -38.2504 -38.2504 -15.1786 -15.1786 -15.1768 -15.1768 -12.2165 -12.2165 -12.2021 -12.2021 -12.1970 -12.1970 -2.1129 -2.1126 3.3608 3.3609 3.4899 3.4923 3.6757 3.6922 3.9068 3.9257 4.1570 4.1571 4.3364 4.3388 7.5502 7.5810 8.6090 8.6105 9.1617 9.1889 10.9956 10.9963 11.0388 11.0395 13.5824 13.5909 k = 0.5000 0.2887 0.2041 ( 9030 PWs) bands (ev): -38.3087 -38.3087 -38.2503 -38.2503 -15.1786 -15.1786 -15.1768 -15.1768 -12.2165 -12.2165 -12.2021 -12.2021 -12.1970 -12.1970 -2.1132 -2.1132 3.3607 3.3607 3.4908 3.4908 3.6840 3.6840 3.9158 3.9158 4.1567 4.1567 4.3377 4.3377 7.5738 7.5738 8.6337 8.6337 9.1501 9.1501 10.9931 10.9931 11.0329 11.0329 13.5813 13.5813 k = 0.5000 0.2887 0.2041 ( 9030 PWs) bands (ev): -38.3087 -38.3087 -38.2503 -38.2503 -15.1786 -15.1786 -15.1768 -15.1768 -12.2165 -12.2165 -12.2021 -12.2021 -12.1970 -12.1970 -2.1132 -2.1132 3.3607 3.3607 3.4908 3.4908 3.6840 3.6840 3.9158 3.9158 4.1567 4.1567 4.3377 4.3377 7.5738 7.5738 8.6337 8.6337 9.1501 9.1501 10.9931 10.9931 11.0329 11.0329 13.5813 13.5813 k = 0.4957 0.2862 0.2182 ( 9084 PWs) bands (ev): -38.3088 -38.3088 -38.2504 -38.2504 -15.1786 -15.1786 -15.1768 -15.1768 -12.2165 -12.2165 -12.2021 -12.2021 -12.1970 -12.1970 -2.1129 -2.1126 3.3608 3.3609 3.4899 3.4923 3.6758 3.6921 3.9070 3.9255 4.1570 4.1571 4.3364 4.3388 7.5507 7.5810 8.6098 8.6111 9.1612 9.1880 10.9958 10.9959 11.0389 11.0390 13.5823 13.5907 k = 0.4914 0.2837 0.2323 ( 9084 PWs) bands (ev): -38.3088 -38.3088 -38.2504 -38.2504 -15.1786 -15.1786 -15.1768 -15.1768 -12.2165 -12.2165 -12.2022 -12.2021 -12.1970 -12.1970 -2.1118 -2.1112 3.3612 3.3613 3.4895 3.4942 3.6678 3.7000 3.8993 3.9361 4.1579 4.1581 4.3349 4.3396 7.5122 7.5722 8.5473 8.5548 9.2136 9.2614 11.0026 11.0036 11.0579 11.0586 13.5937 13.6106 k = 0.4871 0.2812 0.2464 ( 9088 PWs) bands (ev): -38.3088 -38.3088 -38.2504 -38.2504 -15.1786 -15.1786 -15.1768 -15.1768 -12.2165 -12.2165 -12.2022 -12.2020 -12.1970 -12.1970 -2.1099 -2.1090 3.3618 3.3621 3.4897 3.4964 3.6600 3.7075 3.8929 3.9472 4.1593 4.1601 4.3333 4.3403 7.4593 7.5475 8.4643 8.4815 9.2891 9.3522 11.0133 11.0149 11.0907 11.0926 13.6150 13.6407 k = 0.4828 0.2787 0.2604 ( 9090 PWs) bands (ev): -38.3088 -38.3088 -38.2504 -38.2504 -15.1786 -15.1786 -15.1768 -15.1767 -12.2165 -12.2164 -12.2021 -12.2020 -12.1971 -12.1971 -2.1071 -2.1059 3.3625 3.3632 3.4907 3.4990 3.6524 3.7144 3.8880 3.9589 4.1613 4.1630 4.3314 4.3408 7.3934 7.5077 8.3731 8.4010 9.3746 9.4491 11.0290 11.0299 11.1375 11.1404 13.6460 13.6806 k = 0.4784 0.2762 0.2745 ( 9083 PWs) bands (ev): -38.3087 -38.3087 -38.2504 -38.2504 -15.1785 -15.1785 -15.1768 -15.1767 -12.2165 -12.2164 -12.2021 -12.2019 -12.1971 -12.1971 -2.1036 -2.1021 3.3632 3.3647 3.4924 3.5018 3.6452 3.7206 3.8849 3.9708 4.1636 4.1671 4.3294 4.3412 7.3162 7.4540 8.2801 8.3181 9.4627 9.5450 11.0499 11.0515 11.1974 11.2009 13.6858 13.7299 k = 0.4741 0.2737 0.2886 ( 9077 PWs) bands (ev): -38.3087 -38.3087 -38.2504 -38.2504 -15.1785 -15.1785 -15.1768 -15.1767 -12.2165 -12.2163 -12.2021 -12.2018 -12.1971 -12.1971 -2.0992 -2.0975 3.3638 3.3664 3.4950 3.5047 3.6385 3.7257 3.8837 3.9829 4.1665 4.1726 4.3272 4.3413 7.2293 7.3878 8.1883 8.2347 9.5486 9.6356 11.0760 11.0828 11.2694 11.2730 13.7337 13.7876 k = 0.4698 0.2713 0.3027 ( 9083 PWs) bands (ev): -38.3087 -38.3087 -38.2504 -38.2504 -15.1785 -15.1785 -15.1768 -15.1767 -12.2165 -12.2163 -12.2021 -12.2017 -12.1971 -12.1971 -2.0941 -2.0921 3.3643 3.3684 3.4984 3.5078 3.6323 3.7297 3.8845 3.9948 4.1698 4.1797 4.3249 4.3414 7.1347 7.3111 8.0991 8.1520 9.6291 9.7175 11.1098 11.1246 11.3525 11.3557 13.7884 13.8524 k = 0.4655 0.2688 0.3167 ( 9087 PWs) bands (ev): -38.3087 -38.3087 -38.2504 -38.2504 -15.1785 -15.1785 -15.1768 -15.1767 -12.2164 -12.2162 -12.2020 -12.2017 -12.1972 -12.1971 -2.0884 -2.0861 3.3645 3.3705 3.5027 3.5108 3.6267 3.7325 3.8874 4.0065 4.1735 4.1886 4.3224 4.3414 7.0341 7.2259 8.0128 8.0701 9.7019 9.7884 11.1525 11.1784 11.4456 11.4480 13.8481 13.9223 k = 0.4612 0.2663 0.3308 ( 9091 PWs) bands (ev): -38.3087 -38.3087 -38.2504 -38.2504 -15.1785 -15.1784 -15.1768 -15.1767 -12.2164 -12.2162 -12.2020 -12.2016 -12.1972 -12.1971 -2.0820 -2.0794 3.3643 3.3728 3.5080 3.5138 3.6217 3.7342 3.8923 4.0178 4.1775 4.1995 4.3200 4.3413 6.9291 7.1344 7.9293 7.9894 9.7652 9.8469 11.2050 11.2451 11.5477 11.5491 13.9103 13.9935 k = 0.4569 0.2638 0.3449 ( 9081 PWs) bands (ev): -38.3087 -38.3087 -38.2504 -38.2504 -15.1784 -15.1784 -15.1768 -15.1767 -12.2163 -12.2161 -12.2019 -12.2015 -12.1972 -12.1971 -2.0749 -2.0721 3.3638 3.3750 3.5142 3.5166 3.6175 3.7349 3.8989 4.0285 4.1820 4.2126 4.3175 4.3413 6.8211 7.0384 7.8483 7.9099 9.8183 9.8926 11.2678 11.3247 11.6579 11.6579 13.9708 14.0579 k = 0.4526 0.2613 0.3590 ( 9081 PWs) bands (ev): -38.3087 -38.3087 -38.2505 -38.2505 -15.1784 -15.1783 -15.1768 -15.1766 -12.2163 -12.2160 -12.2019 -12.2013 -12.1973 -12.1972 -2.0673 -2.0642 3.3627 3.3773 3.5193 3.5213 3.6140 3.7349 3.9069 4.0386 4.1867 4.2277 4.3151 4.3415 6.7112 6.9399 7.7696 7.8315 9.8609 9.9262 11.3407 11.4161 11.7737 11.7751 14.0224 14.0983 k = 0.4483 0.2588 0.3731 ( 9082 PWs) bands (ev): -38.3086 -38.3086 -38.2505 -38.2505 -15.1784 -15.1783 -15.1768 -15.1766 -12.2162 -12.2160 -12.2018 -12.2012 -12.1973 -12.1972 -2.0593 -2.0559 3.3611 3.3793 3.5218 3.5293 3.6113 3.7345 3.9161 4.0481 4.1916 4.2448 4.3129 4.3422 6.6006 6.8403 7.6927 7.7545 9.8934 9.9489 11.4229 11.5182 11.8953 11.8984 14.0532 14.0896 k = 0.4440 0.2563 0.3871 ( 9084 PWs) bands (ev): -38.3086 -38.3086 -38.2505 -38.2505 -15.1783 -15.1782 -15.1769 -15.1766 -12.2162 -12.2159 -12.2018 -12.2011 -12.1974 -12.1972 -2.0508 -2.0471 3.3589 3.3810 3.5241 3.5382 3.6095 3.7338 3.9263 4.0570 4.1966 4.2632 4.3111 4.3438 6.4901 6.7410 7.6177 7.6788 9.9169 9.9623 11.5133 11.6290 12.0219 12.0269 14.0269 14.0488 k = 0.4397 0.2538 0.4012 ( 9090 PWs) bands (ev): -38.3086 -38.3086 -38.2505 -38.2505 -15.1783 -15.1782 -15.1769 -15.1766 -12.2161 -12.2158 -12.2017 -12.2010 -12.1974 -12.1972 -2.0419 -2.0381 3.3560 3.3822 3.5263 3.5477 3.6083 3.7331 3.9371 4.0655 4.2014 4.2819 4.3097 4.3475 6.3805 6.6432 7.5444 7.6047 9.9325 9.9682 11.6102 11.7467 12.1523 12.1594 13.9328 14.0029 k = 0.4353 0.2513 0.4153 ( 9094 PWs) bands (ev): -38.3086 -38.3086 -38.2505 -38.2505 -15.1783 -15.1781 -15.1769 -15.1766 -12.2161 -12.2158 -12.2016 -12.2008 -12.1975 -12.1972 -2.0328 -2.0287 3.3526 3.3829 3.5286 3.5579 3.6078 3.7325 3.9484 4.0737 4.2058 4.2985 4.3091 4.3554 6.2726 6.5479 7.4727 7.5322 9.9414 9.9681 11.7120 11.8697 12.2851 12.2947 13.8264 13.9249 k = 0.4310 0.2489 0.4294 ( 9094 PWs) bands (ev): -38.3086 -38.3086 -38.2506 -38.2506 -15.1782 -15.1781 -15.1769 -15.1765 -12.2160 -12.2157 -12.2016 -12.2007 -12.1976 -12.1972 -2.0235 -2.0192 3.3486 3.3829 3.5309 3.5686 3.6079 3.7322 3.9600 4.0818 4.2095 4.3092 4.3102 4.3702 6.1670 6.4559 7.4028 7.4614 9.9450 9.9634 11.8168 11.9964 12.4185 12.4315 13.7176 13.8300 k = 0.4267 0.2464 0.4434 ( 9098 PWs) bands (ev): -38.3085 -38.3085 -38.2506 -38.2506 -15.1782 -15.1780 -15.1769 -15.1765 -12.2160 -12.2156 -12.2015 -12.2005 -12.1976 -12.1972 -2.0141 -2.0096 3.3439 3.3821 3.5335 3.5796 3.6083 3.7322 3.9720 4.0897 4.2124 4.3104 4.3168 4.3922 6.0642 6.3681 7.3348 7.3926 9.9442 9.9551 11.9224 12.1251 12.5500 12.5674 13.6129 13.7303 k = 0.4224 0.2439 0.4575 ( 9090 PWs) bands (ev): -38.3085 -38.3085 -38.2506 -38.2506 -15.1782 -15.1780 -15.1769 -15.1765 -12.2159 -12.2156 -12.2014 -12.2004 -12.1977 -12.1972 -2.0047 -2.0000 3.3387 3.3805 3.5365 3.5908 3.6091 3.7326 3.9841 4.0976 4.2142 4.3125 4.3203 4.4189 5.9648 6.2852 7.2686 7.3259 9.9401 9.9442 12.0264 12.2540 12.6753 12.6987 13.5186 13.6356 k = 0.4181 0.2414 0.4716 ( 9091 PWs) bands (ev): -38.3085 -38.3085 -38.2506 -38.2506 -15.1782 -15.1779 -15.1769 -15.1765 -12.2158 -12.2155 -12.2014 -12.2002 -12.1978 -12.1972 -1.9953 -1.9905 3.3330 3.3779 3.5398 3.6020 3.6100 3.7334 3.9964 4.1055 4.2151 4.3155 4.3227 4.4484 5.8695 6.2079 7.2046 7.2614 9.9315 9.9335 12.1254 12.3808 12.7870 12.8181 13.4446 13.5572 k = 0.4138 0.2389 0.4857 ( 9099 PWs) bands (ev): -38.3085 -38.3085 -38.2506 -38.2506 -15.1781 -15.1778 -15.1770 -15.1764 -12.2158 -12.2155 -12.2013 -12.2000 -12.1979 -12.1972 -1.9862 -1.9812 3.3268 3.3746 3.5435 3.6110 3.6130 3.7346 4.0087 4.1134 4.2152 4.3189 4.3247 4.4796 5.7788 6.1368 7.1427 7.1993 9.9175 9.9249 12.2144 12.5010 12.8731 12.9118 13.4084 13.5110 k = 0.4095 0.2364 0.4998 ( 9097 PWs) bands (ev): -38.3085 -38.3085 -38.2507 -38.2507 -15.1781 -15.1778 -15.1770 -15.1764 -12.2157 -12.2154 -12.2013 -12.1999 -12.1979 -12.1972 -1.9773 -1.9722 3.3201 3.3703 3.5475 3.6121 3.6235 3.7362 4.0210 4.1211 4.2149 4.3225 4.3268 4.5118 5.6934 6.0725 7.0832 7.1398 9.9027 9.9151 12.2864 12.6043 12.9247 12.9648 13.4306 13.5152 k = 0.4052 0.2339 0.5138 ( 9100 PWs) bands (ev): -38.3084 -38.3084 -38.2507 -38.2507 -15.1781 -15.1777 -15.1770 -15.1764 -12.2157 -12.2154 -12.2012 -12.1997 -12.1980 -12.1972 -1.9688 -1.9635 3.3131 3.3654 3.5516 3.6131 3.6333 3.7382 4.0331 4.1286 4.2146 4.3258 4.3293 4.5444 5.6141 6.0155 7.0262 7.0831 9.8874 9.9043 12.3316 12.6658 12.9624 12.9868 13.5092 13.5723 k = 0.4009 0.2314 0.5279 ( 9099 PWs) bands (ev): -38.3084 -38.3084 -38.2507 -38.2507 -15.1781 -15.1777 -15.1770 -15.1764 -12.2157 -12.2154 -12.2011 -12.1996 -12.1981 -12.1972 -1.9607 -1.9554 3.3057 3.3597 3.5558 3.6141 3.6422 3.7405 4.0446 4.1357 4.2150 4.3286 4.3324 4.5765 5.5418 5.9663 6.9719 7.0292 9.8721 9.8930 12.3416 12.6592 13.0083 13.0275 13.6197 13.6647 k = 0.3966 0.2289 0.5420 ( 9101 PWs) bands (ev): -38.3084 -38.3084 -38.2507 -38.2507 -15.1780 -15.1776 -15.1771 -15.1764 -12.2156 -12.2153 -12.2011 -12.1994 -12.1982 -12.1972 -1.9533 -1.9479 3.2981 3.3534 3.5598 3.6152 3.6499 3.7431 4.0551 4.1422 4.2168 4.3305 4.3360 4.6075 5.4777 5.9253 6.9204 6.9785 9.8570 9.8816 12.3160 12.6010 13.0467 13.1195 13.7424 13.7733 k = 0.3922 0.2265 0.5561 ( 9091 PWs) bands (ev): -38.3084 -38.3084 -38.2507 -38.2507 -15.1780 -15.1775 -15.1771 -15.1763 -12.2156 -12.2153 -12.2010 -12.1993 -12.1982 -12.1972 -1.9465 -1.9411 3.2904 3.3466 3.5635 3.6164 3.6563 3.7459 4.0640 4.1480 4.2208 4.3315 4.3402 4.6365 5.4229 5.8925 6.8719 6.9310 9.8422 9.8701 12.2627 12.5190 13.1011 13.2189 13.8669 13.8857 k = 0.3879 0.2240 0.5701 ( 9090 PWs) bands (ev): -38.3084 -38.3084 -38.2507 -38.2507 -15.1780 -15.1775 -15.1771 -15.1763 -12.2156 -12.2153 -12.2010 -12.1991 -12.1983 -12.1972 -1.9405 -1.9351 3.2824 3.3393 3.5667 3.6178 3.6613 3.7486 4.0706 4.1530 4.2275 4.3320 4.3447 4.6625 5.3789 5.8682 6.8265 6.8870 9.8280 9.8589 12.1919 12.4270 13.1639 13.3147 13.9864 13.9946 k = 0.3836 0.2215 0.5842 ( 9090 PWs) bands (ev): -38.3084 -38.3084 -38.2507 -38.2507 -15.1780 -15.1774 -15.1772 -15.1763 -12.2156 -12.2153 -12.2010 -12.1990 -12.1984 -12.1971 -1.9354 -1.9300 3.2745 3.3317 3.5691 3.6194 3.6647 3.7512 4.0746 4.1571 4.2369 4.3326 4.3490 4.6846 5.3471 5.8523 6.7845 6.8465 9.8144 9.8482 12.1112 12.3310 13.2281 13.4016 14.0950 14.0961 k = 0.3793 0.2190 0.5983 ( 9086 PWs) bands (ev): -38.3084 -38.3084 -38.2507 -38.2507 -15.1780 -15.1774 -15.1772 -15.1763 -12.2155 -12.2153 -12.2009 -12.1990 -12.1984 -12.1971 -1.9312 -1.9259 3.2666 3.3238 3.5706 3.6213 3.6666 3.7534 4.0759 4.1602 4.2478 4.3349 4.3524 4.7026 5.3285 5.8445 6.7460 6.8099 9.8017 9.8380 12.0254 12.2339 13.2886 13.4760 14.1833 14.1914 k = 0.3750 0.2165 0.6124 ( 9078 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2507 -15.1779 -15.1774 -15.1772 -15.1763 -12.2155 -12.2153 -12.2009 -12.1989 -12.1983 -12.1971 -1.9281 -1.9228 3.2587 3.3157 3.5713 3.6235 3.6668 3.7551 4.0748 4.1625 4.2575 4.3417 4.3543 4.7169 5.3236 5.8445 6.7112 6.7772 9.7899 9.8285 11.9375 12.1373 13.3425 13.5360 14.2570 14.2692 k = 0.6250-0.0722 0.4082 ( 9078 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2507 -15.1779 -15.1774 -15.1772 -15.1763 -12.2155 -12.2153 -12.2009 -12.1989 -12.1983 -12.1971 -1.9281 -1.9228 3.2587 3.3157 3.5713 3.6235 3.6668 3.7551 4.0748 4.1625 4.2575 4.3417 4.3543 4.7169 5.3236 5.8445 6.7112 6.7772 9.7899 9.8285 11.9375 12.1373 13.3425 13.5360 14.2570 14.2692 k = 0.6176-0.0849 0.4082 ( 9084 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1779 -15.1773 -15.1772 -15.1763 -12.2155 -12.2153 -12.2008 -12.1990 -12.1982 -12.1971 -1.9240 -1.9189 3.2453 3.3011 3.5722 3.6272 3.6657 3.7571 4.0714 4.1655 4.2648 4.3527 4.3667 4.7410 5.3297 5.8527 6.6567 6.7266 9.7699 9.8121 11.7870 11.9751 13.4291 13.6256 14.3708 14.3868 k = 0.6103-0.0976 0.4082 ( 9086 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1779 -15.1773 -15.1772 -15.1763 -12.2155 -12.2154 -12.2008 -12.1990 -12.1981 -12.1971 -1.9206 -1.9156 3.2316 3.2855 3.5742 3.6308 3.6640 3.7582 4.0689 4.1686 4.2640 4.3465 4.4016 4.7674 5.3426 5.8640 6.6057 6.6795 9.7484 9.7938 11.6387 11.8172 13.5181 13.7150 14.4872 14.5061 k = 0.6029-0.1104 0.4082 ( 9098 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1779 -15.1773 -15.1772 -15.1763 -12.2156 -12.2154 -12.2008 -12.1991 -12.1980 -12.1971 -1.9176 -1.9128 3.2179 3.2692 3.5770 3.6341 3.6621 3.7585 4.0673 4.1716 4.2609 4.3374 4.4398 4.7936 5.3625 5.8780 6.5586 6.6361 9.7251 9.7733 11.4949 11.6648 13.6085 13.8035 14.6057 14.6269 k = 0.5956-0.1231 0.4082 ( 9098 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1779 -15.1773 -15.1772 -15.1763 -12.2156 -12.2154 -12.2007 -12.1992 -12.1979 -12.1970 -1.9151 -1.9105 3.2044 3.2526 3.5808 3.6372 3.6602 3.7578 4.0668 4.1746 4.2572 4.3263 4.4787 4.8172 5.3894 5.8937 6.5161 6.5968 9.6999 9.7502 11.3572 11.5193 13.6994 13.8906 14.7257 14.7487 k = 0.5882-0.1358 0.4082 ( 9104 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1778 -15.1773 -15.1771 -15.1763 -12.2156 -12.2155 -12.2007 -12.1992 -12.1978 -12.1970 -1.9130 -1.9087 3.1911 3.2360 3.5853 3.6401 3.6583 3.7561 4.0674 4.1774 4.2539 4.3144 4.5170 4.8371 5.4227 5.9103 6.4787 6.5617 9.6727 9.7242 11.2274 11.3817 13.7898 13.9755 14.8468 14.8710 k = 0.5809-0.1486 0.4082 ( 9100 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1778 -15.1774 -15.1771 -15.1763 -12.2156 -12.2155 -12.2006 -12.1993 -12.1977 -12.1970 -1.9113 -1.9073 3.1784 3.2197 3.5905 3.6427 3.6566 3.7534 4.0691 4.1800 4.2510 4.3022 4.5539 4.8526 5.4613 5.9263 6.4473 6.5312 9.6433 9.6951 11.1069 11.2530 13.8791 14.0575 14.9683 14.9933 k = 0.5735-0.1613 0.4082 ( 9104 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1778 -15.1774 -15.1771 -15.1764 -12.2156 -12.2155 -12.2006 -12.1994 -12.1976 -12.1970 -1.9099 -1.9062 3.1663 3.2039 3.5963 3.6452 3.6551 3.7498 4.0719 4.1821 4.2486 4.2902 4.5892 4.8640 5.5037 5.9403 6.4229 6.5055 9.6118 9.6627 10.9969 11.1342 13.9664 14.1359 15.0896 15.1148 k = 0.5662-0.1741 0.4082 ( 9080 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1778 -15.1774 -15.1770 -15.1764 -12.2157 -12.2156 -12.2005 -12.1995 -12.1974 -12.1969 -1.9088 -1.9054 3.1550 3.1889 3.6025 3.6474 3.6538 3.7453 4.0757 4.1835 4.2467 4.2788 4.6224 4.8714 5.5482 5.9508 6.4061 6.4848 9.5783 9.6270 10.8986 11.0260 14.0508 14.2097 15.2096 15.2347 k = 0.5588-0.1868 0.4082 ( 9086 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1778 -15.1775 -15.1770 -15.1764 -12.2157 -12.2156 -12.2005 -12.1995 -12.1974 -12.1969 -1.9079 -1.9048 3.1448 3.1748 3.6091 3.6495 3.6528 3.7400 4.0804 4.1840 4.2452 4.2686 4.6535 4.8755 5.5931 5.9564 6.3975 6.4692 9.5434 9.5887 10.8127 10.9289 14.1315 14.2781 15.3275 15.3519 k = 0.5515-0.1995 0.4082 ( 9086 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1778 -15.1775 -15.1769 -15.1764 -12.2157 -12.2156 -12.2004 -12.1996 -12.1973 -12.1969 -1.9072 -1.9044 3.1356 3.1618 3.6159 3.6515 3.6519 3.7340 4.0860 4.1832 4.2441 4.2597 4.6823 4.8766 5.6369 5.9566 6.3965 6.4585 9.5078 9.5485 10.7395 10.8434 14.2075 14.3402 15.4417 15.4649 k = 0.5441-0.2123 0.4082 ( 9076 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1777 -15.1775 -15.1769 -15.1765 -12.2157 -12.2157 -12.2004 -12.1997 -12.1972 -12.1969 -1.9066 -1.9042 3.1277 3.1500 3.6228 3.6513 3.6535 3.7274 4.0922 4.1808 4.2432 4.2527 4.7089 4.8751 5.6784 5.9516 6.4019 6.4524 9.4727 9.5079 10.6789 10.7694 14.2777 14.3951 15.5505 15.5719 k = 0.5368-0.2250 0.4082 ( 9072 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1777 -15.1775 -15.1768 -15.1765 -12.2157 -12.2157 -12.2003 -12.1997 -12.1971 -12.1969 -1.9061 -1.9041 3.1211 3.1396 3.6296 3.6508 3.6556 3.7203 4.0990 4.1766 4.2426 4.2476 4.7333 4.8714 5.7166 5.9421 6.4115 6.4503 9.4393 9.4686 10.6306 10.7068 14.3413 14.4417 15.6516 15.6707 k = 0.5294-0.2377 0.4082 ( 9060 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1777 -15.1775 -15.1768 -15.1765 -12.2157 -12.2157 -12.2003 -12.1998 -12.1971 -12.1968 -1.9057 -1.9041 3.1159 3.1307 3.6358 3.6504 3.6584 3.7128 4.1064 4.1709 4.2421 4.2442 4.7556 4.8657 5.7512 5.9293 6.4232 6.4511 9.4092 9.4324 10.5939 10.6552 14.3970 14.4792 15.7422 15.7585 k = 0.5221-0.2505 0.4082 ( 9046 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1777 -15.1776 -15.1768 -15.1765 -12.2158 -12.2157 -12.2002 -12.1999 -12.1970 -12.1968 -1.9054 -1.9042 3.1122 3.1233 3.6409 3.6500 3.6622 3.7050 4.1142 4.1639 4.2417 4.2423 4.7758 4.8581 5.7822 5.9139 6.4349 6.4535 9.3842 9.4013 10.5679 10.6141 14.4441 14.5068 15.8191 15.8318 k = 0.5147-0.2632 0.4082 ( 9046 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1777 -15.1776 -15.1767 -15.1766 -12.2158 -12.2157 -12.2002 -12.1999 -12.1969 -12.1968 -1.9051 -1.9043 3.1100 3.1174 3.6445 3.6496 3.6675 3.6971 4.1223 4.1560 4.2413 4.2414 4.7940 4.8487 5.8099 5.8966 6.4449 6.4560 9.3658 9.3769 10.5522 10.5830 14.4815 14.5238 15.8784 15.8872 k = 0.5074-0.2759 0.4082 ( 9064 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1776 -15.1776 -15.1767 -15.1766 -12.2158 -12.2158 -12.2001 -12.2000 -12.1969 -12.1969 -1.9049 -1.9045 3.1094 3.1131 3.6468 3.6490 3.6740 3.6892 4.1307 4.1477 4.2409 4.2411 4.8103 4.8377 5.8347 5.8777 6.4522 6.4573 9.3552 9.3607 10.5461 10.5615 14.5086 14.5300 15.9168 15.9213 k = 0.5000-0.2887 0.4082 ( 9064 PWs) bands (ev): -38.3083 -38.3083 -38.2508 -38.2508 -15.1776 -15.1776 -15.1766 -15.1766 -12.2158 -12.2158 -12.2001 -12.2001 -12.1969 -12.1969 -1.9047 -1.9047 3.1105 3.1105 3.6482 3.6482 3.6814 3.6814 4.1392 4.1392 4.2409 4.2409 4.8249 4.8249 5.8571 5.8571 6.4563 6.4563 9.3534 9.3534 10.5492 10.5492 14.5249 14.5249 15.9314 15.9314 Writing output data file Li2AgBi.save init_run : 0.96s CPU 0.56s WALL ( 1 calls) electrons : 295.72s CPU 188.67s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.09s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 295.72s CPU 188.66s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.22s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.60s CPU 0.61s WALL ( 314 calls) cegterg : 248.86s CPU 161.40s WALL ( 357 calls) Called by sum_band: Called by *egterg: h_psi : 207.16s CPU 121.02s WALL ( 6324 calls) s_psi : 7.45s CPU 4.72s WALL ( 6324 calls) g_psi : 0.51s CPU 0.34s WALL ( 5653 calls) cdiaghg : 43.78s CPU 35.07s WALL ( 5967 calls) cegterg:over : 9.90s CPU 7.14s WALL ( 5653 calls) cegterg:upda : 9.63s CPU 7.21s WALL ( 5653 calls) cegterg:last : 5.21s CPU 3.98s WALL ( 985 calls) cdiaghg:chol : 2.51s CPU 2.08s WALL ( 5967 calls) cdiaghg:inve : 1.27s CPU 1.03s WALL ( 5967 calls) cdiaghg:para : 2.41s CPU 1.99s WALL ( 11934 calls) Called by h_psi: h_psi:vloc : 191.55s CPU 111.01s WALL ( 6324 calls) h_psi:vnl : 15.05s CPU 9.71s WALL ( 6324 calls) add_vuspsi : 7.95s CPU 5.04s WALL ( 6324 calls) General routines calbec : 7.08s CPU 4.65s WALL ( 6324 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 180.39s CPU 103.84s WALL ( 530264 calls) interpolate : 0.02s CPU 0.01s WALL ( 4 calls) davcio : 0.34s CPU 1.30s WALL ( 628 calls) Parallel routines fft_scatter : 69.61s CPU 43.79s WALL ( 530287 calls) PWSCF : 5m17.12s CPU 3m40.97s WALL This run was terminated on: 16:40:23 10Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=