Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:53:50 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), running on 36 processors 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: ./LiCd.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) 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 98 62 17 3846 1975 290 Max 99 63 18 3849 1999 293 Sum 3535 2263 637 138503 71537 10489 bravais-lattice index = 14 lattice parameter (alat) = 8.9555 a.u. unit-cell volume = 507.8668 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 30.00 number of Kohn-Sham states= 38 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.955467 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 Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cd 12.00 112.41100 Cd( 1.00) Li 3.00 6.94100 Li( 1.00) 2 Sym. Ops. (no inversion) found (note: 10 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 2) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 2) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 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 s 2 inv. 180 deg rotation - cryst. axis [0,1,0] -s -2 inv. 180 deg rotation - cryst. axis [0,1,0] E Cartesian axes number of k points= 315 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 2) = ( 0.0106383 -0.0061420 0.0086861), wk = 0.0031746 k( 3) = ( 0.0212766 -0.0122841 0.0173723), wk = 0.0031746 k( 4) = ( 0.0319149 -0.0184261 0.0260584), wk = 0.0031746 k( 5) = ( 0.0425532 -0.0245681 0.0347445), wk = 0.0031746 k( 6) = ( 0.0531915 -0.0307101 0.0434307), wk = 0.0031746 k( 7) = ( 0.0638298 -0.0368521 0.0521168), wk = 0.0031746 k( 8) = ( 0.0744681 -0.0429942 0.0608029), wk = 0.0031746 k( 9) = ( 0.0851064 -0.0491362 0.0694891), wk = 0.0031746 k( 10) = ( 0.0957447 -0.0552782 0.0781752), wk = 0.0031746 k( 11) = ( 0.1063830 -0.0614202 0.0868613), wk = 0.0031746 k( 12) = ( 0.1170213 -0.0675623 0.0955475), wk = 0.0031746 k( 13) = ( 0.1276596 -0.0737043 0.1042336), wk = 0.0031746 k( 14) = ( 0.1382979 -0.0798463 0.1129197), wk = 0.0031746 k( 15) = ( 0.1489362 -0.0859883 0.1216059), wk = 0.0031746 k( 16) = ( 0.1595745 -0.0921304 0.1302920), wk = 0.0031746 k( 17) = ( 0.1702128 -0.0982724 0.1389781), wk = 0.0031746 k( 18) = ( 0.1808511 -0.1044144 0.1476643), wk = 0.0031746 k( 19) = ( 0.1914894 -0.1105564 0.1563504), wk = 0.0031746 k( 20) = ( 0.2021277 -0.1166985 0.1650365), wk = 0.0031746 k( 21) = ( 0.2127660 -0.1228405 0.1737227), wk = 0.0031746 k( 22) = ( 0.2234043 -0.1289825 0.1824088), wk = 0.0031746 k( 23) = ( 0.2340425 -0.1351245 0.1910949), wk = 0.0031746 k( 24) = ( 0.2446809 -0.1412666 0.1997811), wk = 0.0031746 k( 25) = ( 0.2553191 -0.1474086 0.2084672), wk = 0.0031746 k( 26) = ( 0.2659574 -0.1535506 0.2171533), wk = 0.0031746 k( 27) = ( 0.2765957 -0.1596926 0.2258395), wk = 0.0031746 k( 28) = ( 0.2872340 -0.1658347 0.2345256), wk = 0.0031746 k( 29) = ( 0.2978723 -0.1719767 0.2432117), wk = 0.0031746 k( 30) = ( 0.3085106 -0.1781187 0.2518979), wk = 0.0031746 k( 31) = ( 0.3191489 -0.1842607 0.2605840), wk = 0.0031746 k( 32) = ( 0.3297872 -0.1904027 0.2692701), wk = 0.0031746 k( 33) = ( 0.3404255 -0.1965448 0.2779563), wk = 0.0031746 k( 34) = ( 0.3510638 -0.2026868 0.2866424), wk = 0.0031746 k( 35) = ( 0.3617021 -0.2088288 0.2953286), wk = 0.0031746 k( 36) = ( 0.3723404 -0.2149708 0.3040147), wk = 0.0031746 k( 37) = ( 0.3829787 -0.2211129 0.3127008), wk = 0.0031746 k( 38) = ( 0.3936170 -0.2272549 0.3213870), wk = 0.0031746 k( 39) = ( 0.4042553 -0.2333969 0.3300731), wk = 0.0031746 k( 40) = ( 0.4148936 -0.2395389 0.3387592), wk = 0.0031746 k( 41) = ( 0.4255319 -0.2456810 0.3474453), wk = 0.0031746 k( 42) = ( 0.4361702 -0.2518230 0.3561315), wk = 0.0031746 k( 43) = ( 0.4468085 -0.2579650 0.3648176), wk = 0.0031746 k( 44) = ( 0.4574468 -0.2641070 0.3735038), wk = 0.0031746 k( 45) = ( 0.4680851 -0.2702491 0.3821899), wk = 0.0031746 k( 46) = ( 0.4787234 -0.2763911 0.3908760), wk = 0.0031746 k( 47) = ( 0.4893617 -0.2825331 0.3995622), wk = 0.0031746 k( 48) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031746 k( 49) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031746 k( 50) = ( 0.5000000 -0.2766470 0.4167535), wk = 0.0031746 k( 51) = ( 0.5000000 -0.2646189 0.4252586), wk = 0.0031746 k( 52) = ( 0.5000000 -0.2525907 0.4337638), wk = 0.0031746 k( 53) = ( 0.5000000 -0.2405626 0.4422690), wk = 0.0031746 k( 54) = ( 0.5000000 -0.2285345 0.4507742), wk = 0.0031746 k( 55) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0031746 k( 56) = ( 0.5000000 -0.2044782 0.4677845), wk = 0.0031746 k( 57) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0031746 k( 58) = ( 0.5000000 -0.1804220 0.4847948), wk = 0.0031746 k( 59) = ( 0.5000000 -0.1683938 0.4933000), wk = 0.0031746 k( 60) = ( 0.5000000 -0.1563657 0.5018052), wk = 0.0031746 k( 61) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0031746 k( 62) = ( 0.5000000 -0.1323094 0.5188155), wk = 0.0031746 k( 63) = ( 0.5000000 -0.1202813 0.5273207), wk = 0.0031746 k( 64) = ( 0.5000000 -0.1082532 0.5358259), wk = 0.0031746 k( 65) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0031746 k( 66) = ( 0.5000000 -0.0841969 0.5528362), wk = 0.0031746 k( 67) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0031746 k( 68) = ( 0.5000000 -0.0601406 0.5698466), wk = 0.0031746 k( 69) = ( 0.5000000 -0.0481125 0.5783517), wk = 0.0031746 k( 70) = ( 0.5000000 -0.0360844 0.5868569), wk = 0.0031746 k( 71) = ( 0.5000000 -0.0240563 0.5953621), wk = 0.0031746 k( 72) = ( 0.5000000 -0.0120281 0.6038673), wk = 0.0031746 k( 73) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0031746 k( 74) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0031746 k( 75) = ( 0.4926471 0.0127357 0.6123724), wk = 0.0031746 k( 76) = ( 0.4852941 0.0254713 0.6123724), wk = 0.0031746 k( 77) = ( 0.4779412 0.0382070 0.6123724), wk = 0.0031746 k( 78) = ( 0.4705882 0.0509427 0.6123724), wk = 0.0031746 k( 79) = ( 0.4632353 0.0636783 0.6123724), wk = 0.0031746 k( 80) = ( 0.4558823 0.0764140 0.6123724), wk = 0.0031746 k( 81) = ( 0.4485294 0.0891497 0.6123724), wk = 0.0031746 k( 82) = ( 0.4411765 0.1018853 0.6123724), wk = 0.0031746 k( 83) = ( 0.4338235 0.1146210 0.6123724), wk = 0.0031746 k( 84) = ( 0.4264706 0.1273567 0.6123724), wk = 0.0031746 k( 85) = ( 0.4191177 0.1400923 0.6123724), wk = 0.0031746 k( 86) = ( 0.4117647 0.1528280 0.6123724), wk = 0.0031746 k( 87) = ( 0.4044118 0.1655637 0.6123724), wk = 0.0031746 k( 88) = ( 0.3970588 0.1782994 0.6123724), wk = 0.0031746 k( 89) = ( 0.3897059 0.1910350 0.6123724), wk = 0.0031746 k( 90) = ( 0.3823529 0.2037707 0.6123724), wk = 0.0031746 k( 91) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031746 k( 92) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031746 k( 93) = ( 0.3675000 0.2121762 0.6001250), wk = 0.0031746 k( 94) = ( 0.3600000 0.2078461 0.5878775), wk = 0.0031746 k( 95) = ( 0.3525000 0.2035160 0.5756301), wk = 0.0031746 k( 96) = ( 0.3450000 0.1991858 0.5633826), wk = 0.0031746 k( 97) = ( 0.3375000 0.1948557 0.5511352), wk = 0.0031746 k( 98) = ( 0.3300000 0.1905256 0.5388877), wk = 0.0031746 k( 99) = ( 0.3225000 0.1861955 0.5266403), wk = 0.0031746 k( 100) = ( 0.3150000 0.1818653 0.5143928), wk = 0.0031746 k( 101) = ( 0.3075000 0.1775352 0.5021454), wk = 0.0031746 k( 102) = ( 0.3000000 0.1732051 0.4898979), wk = 0.0031746 k( 103) = ( 0.2925000 0.1688750 0.4776505), wk = 0.0031746 k( 104) = ( 0.2850000 0.1645448 0.4654031), wk = 0.0031746 k( 105) = ( 0.2775000 0.1602147 0.4531556), wk = 0.0031746 k( 106) = ( 0.2700000 0.1558846 0.4409082), wk = 0.0031746 k( 107) = ( 0.2625000 0.1515544 0.4286607), wk = 0.0031746 k( 108) = ( 0.2550000 0.1472243 0.4164133), wk = 0.0031746 k( 109) = ( 0.2475000 0.1428942 0.4041658), wk = 0.0031746 k( 110) = ( 0.2400000 0.1385641 0.3919184), wk = 0.0031746 k( 111) = ( 0.2325000 0.1342339 0.3796709), wk = 0.0031746 k( 112) = ( 0.2250000 0.1299038 0.3674235), wk = 0.0031746 k( 113) = ( 0.2175000 0.1255737 0.3551760), wk = 0.0031746 k( 114) = ( 0.2100000 0.1212436 0.3429286), wk = 0.0031746 k( 115) = ( 0.2025000 0.1169134 0.3306811), wk = 0.0031746 k( 116) = ( 0.1950000 0.1125833 0.3184337), wk = 0.0031746 k( 117) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0031746 k( 118) = ( 0.1800000 0.1039230 0.2939388), wk = 0.0031746 k( 119) = ( 0.1725000 0.0995929 0.2816913), wk = 0.0031746 k( 120) = ( 0.1650000 0.0952628 0.2694439), wk = 0.0031746 k( 121) = ( 0.1575000 0.0909327 0.2571964), wk = 0.0031746 k( 122) = ( 0.1500000 0.0866025 0.2449490), wk = 0.0031746 k( 123) = ( 0.1425000 0.0822724 0.2327015), wk = 0.0031746 k( 124) = ( 0.1350000 0.0779423 0.2204541), wk = 0.0031746 k( 125) = ( 0.1275000 0.0736122 0.2082066), wk = 0.0031746 k( 126) = ( 0.1200000 0.0692820 0.1959592), wk = 0.0031746 k( 127) = ( 0.1125000 0.0649519 0.1837117), wk = 0.0031746 k( 128) = ( 0.1050000 0.0606218 0.1714643), wk = 0.0031746 k( 129) = ( 0.0975000 0.0562917 0.1592168), wk = 0.0031746 k( 130) = ( 0.0900000 0.0519615 0.1469694), wk = 0.0031746 k( 131) = ( 0.0825000 0.0476314 0.1347219), wk = 0.0031746 k( 132) = ( 0.0750000 0.0433013 0.1224745), wk = 0.0031746 k( 133) = ( 0.0675000 0.0389711 0.1102270), wk = 0.0031746 k( 134) = ( 0.0600000 0.0346410 0.0979796), wk = 0.0031746 k( 135) = ( 0.0525000 0.0303109 0.0857321), wk = 0.0031746 k( 136) = ( 0.0450000 0.0259808 0.0734847), wk = 0.0031746 k( 137) = ( 0.0375000 0.0216506 0.0612372), wk = 0.0031746 k( 138) = ( 0.0300000 0.0173205 0.0489898), wk = 0.0031746 k( 139) = ( 0.0225000 0.0129904 0.0367423), wk = 0.0031746 k( 140) = ( 0.0150000 0.0086603 0.0244949), wk = 0.0031746 k( 141) = ( 0.0075000 0.0043301 0.0122474), wk = 0.0031746 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 144) = ( 0.0121951 0.0070409 0.0049786), wk = 0.0031746 k( 145) = ( 0.0243902 0.0140817 0.0099573), wk = 0.0031746 k( 146) = ( 0.0365854 0.0211226 0.0149359), wk = 0.0031746 k( 147) = ( 0.0487805 0.0281634 0.0199146), wk = 0.0031746 k( 148) = ( 0.0609756 0.0352043 0.0248932), wk = 0.0031746 k( 149) = ( 0.0731707 0.0422451 0.0298718), wk = 0.0031746 k( 150) = ( 0.0853658 0.0492860 0.0348505), wk = 0.0031746 k( 151) = ( 0.0975610 0.0563269 0.0398291), wk = 0.0031746 k( 152) = ( 0.1097561 0.0633677 0.0448077), wk = 0.0031746 k( 153) = ( 0.1219512 0.0704086 0.0497864), wk = 0.0031746 k( 154) = ( 0.1341463 0.0774494 0.0547650), wk = 0.0031746 k( 155) = ( 0.1463415 0.0844903 0.0597437), wk = 0.0031746 k( 156) = ( 0.1585366 0.0915311 0.0647223), wk = 0.0031746 k( 157) = ( 0.1707317 0.0985720 0.0697009), wk = 0.0031746 k( 158) = ( 0.1829268 0.1056129 0.0746796), wk = 0.0031746 k( 159) = ( 0.1951219 0.1126537 0.0796582), wk = 0.0031746 k( 160) = ( 0.2073171 0.1196946 0.0846368), wk = 0.0031746 k( 161) = ( 0.2195122 0.1267354 0.0896155), wk = 0.0031746 k( 162) = ( 0.2317073 0.1337763 0.0945941), wk = 0.0031746 k( 163) = ( 0.2439024 0.1408171 0.0995728), wk = 0.0031746 k( 164) = ( 0.2560976 0.1478580 0.1045514), wk = 0.0031746 k( 165) = ( 0.2682927 0.1548989 0.1095300), wk = 0.0031746 k( 166) = ( 0.2804878 0.1619397 0.1145087), wk = 0.0031746 k( 167) = ( 0.2926829 0.1689806 0.1194873), wk = 0.0031746 k( 168) = ( 0.3048781 0.1760214 0.1244659), wk = 0.0031746 k( 169) = ( 0.3170732 0.1830623 0.1294446), wk = 0.0031746 k( 170) = ( 0.3292683 0.1901031 0.1344232), wk = 0.0031746 k( 171) = ( 0.3414634 0.1971440 0.1394019), wk = 0.0031746 k( 172) = ( 0.3536585 0.2041849 0.1443805), wk = 0.0031746 k( 173) = ( 0.3658537 0.2112257 0.1493591), wk = 0.0031746 k( 174) = ( 0.3780488 0.2182666 0.1543378), wk = 0.0031746 k( 175) = ( 0.3902439 0.2253074 0.1593164), wk = 0.0031746 k( 176) = ( 0.4024390 0.2323483 0.1642950), wk = 0.0031746 k( 177) = ( 0.4146341 0.2393891 0.1692737), wk = 0.0031746 k( 178) = ( 0.4268293 0.2464300 0.1742523), wk = 0.0031746 k( 179) = ( 0.4390244 0.2534708 0.1792310), wk = 0.0031746 k( 180) = ( 0.4512195 0.2605117 0.1842096), wk = 0.0031746 k( 181) = ( 0.4634146 0.2675526 0.1891882), wk = 0.0031746 k( 182) = ( 0.4756098 0.2745934 0.1941669), wk = 0.0031746 k( 183) = ( 0.4878049 0.2816343 0.1991455), wk = 0.0031746 k( 184) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031746 k( 185) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031746 k( 186) = ( 0.5043103 0.2762322 0.2111629), wk = 0.0031746 k( 187) = ( 0.5086207 0.2637893 0.2182017), wk = 0.0031746 k( 188) = ( 0.5129310 0.2513465 0.2252404), wk = 0.0031746 k( 189) = ( 0.5172414 0.2389036 0.2322792), wk = 0.0031746 k( 190) = ( 0.5215517 0.2264607 0.2393180), wk = 0.0031746 k( 191) = ( 0.5258621 0.2140178 0.2463567), wk = 0.0031746 k( 192) = ( 0.5301724 0.2015749 0.2533955), wk = 0.0031746 k( 193) = ( 0.5344828 0.1891320 0.2604343), wk = 0.0031746 k( 194) = ( 0.5387931 0.1766891 0.2674730), wk = 0.0031746 k( 195) = ( 0.5431035 0.1642462 0.2745118), wk = 0.0031746 k( 196) = ( 0.5474138 0.1518033 0.2815505), wk = 0.0031746 k( 197) = ( 0.5517241 0.1393604 0.2885893), wk = 0.0031746 k( 198) = ( 0.5560345 0.1269175 0.2956281), wk = 0.0031746 k( 199) = ( 0.5603448 0.1144746 0.3026668), wk = 0.0031746 k( 200) = ( 0.5646552 0.1020317 0.3097056), wk = 0.0031746 k( 201) = ( 0.5689655 0.0895888 0.3167444), wk = 0.0031746 k( 202) = ( 0.5732759 0.0771459 0.3237831), wk = 0.0031746 k( 203) = ( 0.5775862 0.0647030 0.3308219), wk = 0.0031746 k( 204) = ( 0.5818965 0.0522602 0.3378607), wk = 0.0031746 k( 205) = ( 0.5862069 0.0398173 0.3448994), wk = 0.0031746 k( 206) = ( 0.5905172 0.0273744 0.3519382), wk = 0.0031746 k( 207) = ( 0.5948276 0.0149315 0.3589769), wk = 0.0031746 k( 208) = ( 0.5991379 0.0024886 0.3660157), wk = 0.0031746 k( 209) = ( 0.6034483 -0.0099543 0.3730545), wk = 0.0031746 k( 210) = ( 0.6077586 -0.0223972 0.3800932), wk = 0.0031746 k( 211) = ( 0.6120690 -0.0348401 0.3871320), wk = 0.0031746 k( 212) = ( 0.6163793 -0.0472830 0.3941708), wk = 0.0031746 k( 213) = ( 0.6206897 -0.0597259 0.4012095), wk = 0.0031746 k( 214) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031746 k( 215) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031746 k( 216) = ( 0.6176471 -0.0679236 0.4202556), wk = 0.0031746 k( 217) = ( 0.6102941 -0.0636783 0.4322629), wk = 0.0031746 k( 218) = ( 0.6029412 -0.0594331 0.4442702), wk = 0.0031746 k( 219) = ( 0.5955882 -0.0551879 0.4562775), wk = 0.0031746 k( 220) = ( 0.5882353 -0.0509427 0.4682848), wk = 0.0031746 k( 221) = ( 0.5808823 -0.0466974 0.4802921), wk = 0.0031746 k( 222) = ( 0.5735294 -0.0424522 0.4922994), wk = 0.0031746 k( 223) = ( 0.5661765 -0.0382070 0.5043067), wk = 0.0031746 k( 224) = ( 0.5588235 -0.0339618 0.5163140), wk = 0.0031746 k( 225) = ( 0.5514706 -0.0297166 0.5283213), wk = 0.0031746 k( 226) = ( 0.5441177 -0.0254713 0.5403286), wk = 0.0031746 k( 227) = ( 0.5367647 -0.0212261 0.5523359), wk = 0.0031746 k( 228) = ( 0.5294118 -0.0169809 0.5643432), wk = 0.0031746 k( 229) = ( 0.5220588 -0.0127357 0.5763505), wk = 0.0031746 k( 230) = ( 0.5147059 -0.0084904 0.5883578), wk = 0.0031746 k( 231) = ( 0.5073529 -0.0042452 0.6003651), wk = 0.0031746 k( 232) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0031746 k( 233) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0031746 k( 234) = ( 0.5000000 0.0084904 0.6003651), wk = 0.0031746 k( 235) = ( 0.5000000 0.0169809 0.5883578), wk = 0.0031746 k( 236) = ( 0.5000000 0.0254713 0.5763505), wk = 0.0031746 k( 237) = ( 0.5000000 0.0339618 0.5643432), wk = 0.0031746 k( 238) = ( 0.5000000 0.0424522 0.5523359), wk = 0.0031746 k( 239) = ( 0.5000000 0.0509427 0.5403286), wk = 0.0031746 k( 240) = ( 0.5000000 0.0594331 0.5283213), wk = 0.0031746 k( 241) = ( 0.5000000 0.0679236 0.5163140), wk = 0.0031746 k( 242) = ( 0.5000000 0.0764140 0.5043067), wk = 0.0031746 k( 243) = ( 0.5000000 0.0849044 0.4922994), wk = 0.0031746 k( 244) = ( 0.5000000 0.0933949 0.4802921), wk = 0.0031746 k( 245) = ( 0.5000000 0.1018853 0.4682848), wk = 0.0031746 k( 246) = ( 0.5000000 0.1103758 0.4562775), wk = 0.0031746 k( 247) = ( 0.5000000 0.1188662 0.4442702), wk = 0.0031746 k( 248) = ( 0.5000000 0.1273567 0.4322629), wk = 0.0031746 k( 249) = ( 0.5000000 0.1358471 0.4202556), wk = 0.0031746 k( 250) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0031746 k( 251) = ( 0.5000000 0.1528280 0.3962410), wk = 0.0031746 k( 252) = ( 0.5000000 0.1613185 0.3842337), wk = 0.0031746 k( 253) = ( 0.5000000 0.1698089 0.3722264), wk = 0.0031746 k( 254) = ( 0.5000000 0.1782993 0.3602191), wk = 0.0031746 k( 255) = ( 0.5000000 0.1867898 0.3482118), wk = 0.0031746 k( 256) = ( 0.5000000 0.1952802 0.3362045), wk = 0.0031746 k( 257) = ( 0.5000000 0.2037707 0.3241972), wk = 0.0031746 k( 258) = ( 0.5000000 0.2122611 0.3121899), wk = 0.0031746 k( 259) = ( 0.5000000 0.2207516 0.3001826), wk = 0.0031746 k( 260) = ( 0.5000000 0.2292420 0.2881753), wk = 0.0031746 k( 261) = ( 0.5000000 0.2377325 0.2761680), wk = 0.0031746 k( 262) = ( 0.5000000 0.2462229 0.2641607), wk = 0.0031746 k( 263) = ( 0.5000000 0.2547134 0.2521533), wk = 0.0031746 k( 264) = ( 0.5000000 0.2632038 0.2401460), wk = 0.0031746 k( 265) = ( 0.5000000 0.2716942 0.2281387), wk = 0.0031746 k( 266) = ( 0.5000000 0.2801847 0.2161314), wk = 0.0031746 k( 267) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031746 k( 268) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0031746 k( 269) = ( 0.4956897 0.2861866 0.2182017), wk = 0.0031746 k( 270) = ( 0.4913793 0.2836980 0.2322792), wk = 0.0031746 k( 271) = ( 0.4870690 0.2812094 0.2463567), wk = 0.0031746 k( 272) = ( 0.4827586 0.2787208 0.2604343), wk = 0.0031746 k( 273) = ( 0.4784483 0.2762322 0.2745118), wk = 0.0031746 k( 274) = ( 0.4741379 0.2737437 0.2885893), wk = 0.0031746 k( 275) = ( 0.4698276 0.2712551 0.3026668), wk = 0.0031746 k( 276) = ( 0.4655172 0.2687665 0.3167444), wk = 0.0031746 k( 277) = ( 0.4612069 0.2662779 0.3308219), wk = 0.0031746 k( 278) = ( 0.4568966 0.2637893 0.3448994), wk = 0.0031746 k( 279) = ( 0.4525862 0.2613008 0.3589769), wk = 0.0031746 k( 280) = ( 0.4482759 0.2588122 0.3730545), wk = 0.0031746 k( 281) = ( 0.4439655 0.2563236 0.3871320), wk = 0.0031746 k( 282) = ( 0.4396552 0.2538350 0.4012095), wk = 0.0031746 k( 283) = ( 0.4353448 0.2513465 0.4152870), wk = 0.0031746 k( 284) = ( 0.4310345 0.2488579 0.4293646), wk = 0.0031746 k( 285) = ( 0.4267241 0.2463693 0.4434421), wk = 0.0031746 k( 286) = ( 0.4224138 0.2438807 0.4575196), wk = 0.0031746 k( 287) = ( 0.4181034 0.2413921 0.4715972), wk = 0.0031746 k( 288) = ( 0.4137931 0.2389036 0.4856747), wk = 0.0031746 k( 289) = ( 0.4094828 0.2364150 0.4997522), wk = 0.0031746 k( 290) = ( 0.4051724 0.2339264 0.5138297), wk = 0.0031746 k( 291) = ( 0.4008621 0.2314378 0.5279073), wk = 0.0031746 k( 292) = ( 0.3965517 0.2289492 0.5419848), wk = 0.0031746 k( 293) = ( 0.3922414 0.2264607 0.5560623), wk = 0.0031746 k( 294) = ( 0.3879310 0.2239721 0.5701399), wk = 0.0031746 k( 295) = ( 0.3836207 0.2214835 0.5842174), wk = 0.0031746 k( 296) = ( 0.3793103 0.2189949 0.5982949), wk = 0.0031746 k( 297) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0031746 k( 298) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0031746 k( 299) = ( 0.6176471 -0.0849044 0.4082483), wk = 0.0031746 k( 300) = ( 0.6102941 -0.0976401 0.4082483), wk = 0.0031746 k( 301) = ( 0.6029412 -0.1103758 0.4082483), wk = 0.0031746 k( 302) = ( 0.5955882 -0.1231115 0.4082483), wk = 0.0031746 k( 303) = ( 0.5882353 -0.1358471 0.4082483), wk = 0.0031746 k( 304) = ( 0.5808823 -0.1485828 0.4082483), wk = 0.0031746 k( 305) = ( 0.5735294 -0.1613185 0.4082483), wk = 0.0031746 k( 306) = ( 0.5661765 -0.1740541 0.4082483), wk = 0.0031746 k( 307) = ( 0.5588235 -0.1867898 0.4082483), wk = 0.0031746 k( 308) = ( 0.5514706 -0.1995255 0.4082483), wk = 0.0031746 k( 309) = ( 0.5441177 -0.2122611 0.4082483), wk = 0.0031746 k( 310) = ( 0.5367647 -0.2249968 0.4082483), wk = 0.0031746 k( 311) = ( 0.5294118 -0.2377325 0.4082483), wk = 0.0031746 k( 312) = ( 0.5220588 -0.2504681 0.4082483), wk = 0.0031746 k( 313) = ( 0.5147059 -0.2632038 0.4082483), wk = 0.0031746 k( 314) = ( 0.5073529 -0.2759395 0.4082483), wk = 0.0031746 k( 315) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0031746 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 2) = ( 0.0106383 0.0000000 0.0106383), wk = 0.0031746 k( 3) = ( 0.0212766 0.0000000 0.0212766), wk = 0.0031746 k( 4) = ( 0.0319149 0.0000000 0.0319149), wk = 0.0031746 k( 5) = ( 0.0425532 0.0000000 0.0425532), wk = 0.0031746 k( 6) = ( 0.0531915 0.0000000 0.0531915), wk = 0.0031746 k( 7) = ( 0.0638298 -0.0000000 0.0638298), wk = 0.0031746 k( 8) = ( 0.0744681 0.0000000 0.0744681), wk = 0.0031746 k( 9) = ( 0.0851064 0.0000000 0.0851064), wk = 0.0031746 k( 10) = ( 0.0957447 -0.0000000 0.0957447), wk = 0.0031746 k( 11) = ( 0.1063830 0.0000000 0.1063830), wk = 0.0031746 k( 12) = ( 0.1170213 0.0000000 0.1170213), wk = 0.0031746 k( 13) = ( 0.1276596 -0.0000000 0.1276596), wk = 0.0031746 k( 14) = ( 0.1382979 -0.0000000 0.1382979), wk = 0.0031746 k( 15) = ( 0.1489362 0.0000000 0.1489362), wk = 0.0031746 k( 16) = ( 0.1595745 -0.0000000 0.1595745), wk = 0.0031746 k( 17) = ( 0.1702128 -0.0000000 0.1702128), wk = 0.0031746 k( 18) = ( 0.1808511 0.0000000 0.1808511), wk = 0.0031746 k( 19) = ( 0.1914894 -0.0000000 0.1914894), wk = 0.0031746 k( 20) = ( 0.2021277 0.0000000 0.2021277), wk = 0.0031746 k( 21) = ( 0.2127660 0.0000000 0.2127660), wk = 0.0031746 k( 22) = ( 0.2234043 -0.0000000 0.2234043), wk = 0.0031746 k( 23) = ( 0.2340425 0.0000000 0.2340425), wk = 0.0031746 k( 24) = ( 0.2446809 0.0000000 0.2446808), wk = 0.0031746 k( 25) = ( 0.2553191 -0.0000000 0.2553191), wk = 0.0031746 k( 26) = ( 0.2659574 -0.0000000 0.2659574), wk = 0.0031746 k( 27) = ( 0.2765957 -0.0000000 0.2765957), wk = 0.0031746 k( 28) = ( 0.2872340 -0.0000000 0.2872340), wk = 0.0031746 k( 29) = ( 0.2978723 0.0000000 0.2978723), wk = 0.0031746 k( 30) = ( 0.3085106 0.0000000 0.3085106), wk = 0.0031746 k( 31) = ( 0.3191489 -0.0000000 0.3191489), wk = 0.0031746 k( 32) = ( 0.3297872 0.0000000 0.3297872), wk = 0.0031746 k( 33) = ( 0.3404255 -0.0000000 0.3404255), wk = 0.0031746 k( 34) = ( 0.3510638 -0.0000000 0.3510638), wk = 0.0031746 k( 35) = ( 0.3617021 -0.0000000 0.3617021), wk = 0.0031746 k( 36) = ( 0.3723404 0.0000000 0.3723404), wk = 0.0031746 k( 37) = ( 0.3829787 -0.0000000 0.3829787), wk = 0.0031746 k( 38) = ( 0.3936170 0.0000000 0.3936170), wk = 0.0031746 k( 39) = ( 0.4042553 0.0000000 0.4042553), wk = 0.0031746 k( 40) = ( 0.4148936 0.0000000 0.4148936), wk = 0.0031746 k( 41) = ( 0.4255319 0.0000000 0.4255319), wk = 0.0031746 k( 42) = ( 0.4361702 0.0000000 0.4361702), wk = 0.0031746 k( 43) = ( 0.4468085 0.0000000 0.4468085), wk = 0.0031746 k( 44) = ( 0.4574468 0.0000000 0.4574468), wk = 0.0031746 k( 45) = ( 0.4680851 -0.0000000 0.4680851), wk = 0.0031746 k( 46) = ( 0.4787234 0.0000000 0.4787234), wk = 0.0031746 k( 47) = ( 0.4893617 0.0000000 0.4893617), wk = 0.0031746 k( 48) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031746 k( 49) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031746 k( 50) = ( 0.5000000 0.0104167 0.5104167), wk = 0.0031746 k( 51) = ( 0.5000000 0.0208333 0.5208333), wk = 0.0031746 k( 52) = ( 0.5000000 0.0312500 0.5312500), wk = 0.0031746 k( 53) = ( 0.5000000 0.0416667 0.5416667), wk = 0.0031746 k( 54) = ( 0.5000000 0.0520833 0.5520833), wk = 0.0031746 k( 55) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0031746 k( 56) = ( 0.5000000 0.0729167 0.5729167), wk = 0.0031746 k( 57) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0031746 k( 58) = ( 0.5000000 0.0937500 0.5937500), wk = 0.0031746 k( 59) = ( 0.5000000 0.1041667 0.6041667), wk = 0.0031746 k( 60) = ( 0.5000000 0.1145833 0.6145833), wk = 0.0031746 k( 61) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0031746 k( 62) = ( 0.5000000 0.1354167 0.6354167), wk = 0.0031746 k( 63) = ( 0.5000000 0.1458333 0.6458333), wk = 0.0031746 k( 64) = ( 0.5000000 0.1562500 0.6562500), wk = 0.0031746 k( 65) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0031746 k( 66) = ( 0.5000000 0.1770833 0.6770833), wk = 0.0031746 k( 67) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0031746 k( 68) = ( 0.5000000 0.1979167 0.6979167), wk = 0.0031746 k( 69) = ( 0.5000000 0.2083333 0.7083333), wk = 0.0031746 k( 70) = ( 0.5000000 0.2187500 0.7187500), wk = 0.0031746 k( 71) = ( 0.5000000 0.2291667 0.7291667), wk = 0.0031746 k( 72) = ( 0.5000000 0.2395833 0.7395833), wk = 0.0031746 k( 73) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031746 k( 74) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031746 k( 75) = ( 0.4926471 0.2573529 0.7500000), wk = 0.0031746 k( 76) = ( 0.4852941 0.2647059 0.7500000), wk = 0.0031746 k( 77) = ( 0.4779412 0.2720588 0.7500000), wk = 0.0031746 k( 78) = ( 0.4705882 0.2794118 0.7500000), wk = 0.0031746 k( 79) = ( 0.4632353 0.2867647 0.7500000), wk = 0.0031746 k( 80) = ( 0.4558823 0.2941176 0.7500000), wk = 0.0031746 k( 81) = ( 0.4485294 0.3014706 0.7500000), wk = 0.0031746 k( 82) = ( 0.4411765 0.3088235 0.7500000), wk = 0.0031746 k( 83) = ( 0.4338235 0.3161765 0.7500000), wk = 0.0031746 k( 84) = ( 0.4264706 0.3235294 0.7500000), wk = 0.0031746 k( 85) = ( 0.4191177 0.3308823 0.7500000), wk = 0.0031746 k( 86) = ( 0.4117647 0.3382353 0.7500000), wk = 0.0031746 k( 87) = ( 0.4044118 0.3455882 0.7500000), wk = 0.0031746 k( 88) = ( 0.3970588 0.3529412 0.7500000), wk = 0.0031746 k( 89) = ( 0.3897059 0.3602941 0.7500000), wk = 0.0031746 k( 90) = ( 0.3823529 0.3676471 0.7500000), wk = 0.0031746 k( 91) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031746 k( 92) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031746 k( 93) = ( 0.3675000 0.3675000 0.7350000), wk = 0.0031746 k( 94) = ( 0.3600000 0.3600000 0.7200000), wk = 0.0031746 k( 95) = ( 0.3525000 0.3525000 0.7050000), wk = 0.0031746 k( 96) = ( 0.3450000 0.3450000 0.6900000), wk = 0.0031746 k( 97) = ( 0.3375000 0.3375000 0.6750000), wk = 0.0031746 k( 98) = ( 0.3300000 0.3300000 0.6600000), wk = 0.0031746 k( 99) = ( 0.3225000 0.3225000 0.6450000), wk = 0.0031746 k( 100) = ( 0.3150000 0.3150000 0.6300000), wk = 0.0031746 k( 101) = ( 0.3075000 0.3075000 0.6150000), wk = 0.0031746 k( 102) = ( 0.3000000 0.3000000 0.6000000), wk = 0.0031746 k( 103) = ( 0.2925000 0.2925000 0.5850000), wk = 0.0031746 k( 104) = ( 0.2850000 0.2850000 0.5700000), wk = 0.0031746 k( 105) = ( 0.2775000 0.2775000 0.5550000), wk = 0.0031746 k( 106) = ( 0.2700000 0.2700000 0.5400000), wk = 0.0031746 k( 107) = ( 0.2625000 0.2625000 0.5250000), wk = 0.0031746 k( 108) = ( 0.2550000 0.2550000 0.5100000), wk = 0.0031746 k( 109) = ( 0.2475000 0.2475000 0.4950000), wk = 0.0031746 k( 110) = ( 0.2400000 0.2400000 0.4800000), wk = 0.0031746 k( 111) = ( 0.2325000 0.2325000 0.4650000), wk = 0.0031746 k( 112) = ( 0.2250000 0.2250000 0.4500000), wk = 0.0031746 k( 113) = ( 0.2175000 0.2175000 0.4350000), wk = 0.0031746 k( 114) = ( 0.2100000 0.2100000 0.4200000), wk = 0.0031746 k( 115) = ( 0.2025000 0.2025000 0.4050000), wk = 0.0031746 k( 116) = ( 0.1950000 0.1950000 0.3900000), wk = 0.0031746 k( 117) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0031746 k( 118) = ( 0.1800000 0.1800000 0.3600000), wk = 0.0031746 k( 119) = ( 0.1725000 0.1725000 0.3450000), wk = 0.0031746 k( 120) = ( 0.1650000 0.1650000 0.3300000), wk = 0.0031746 k( 121) = ( 0.1575000 0.1575000 0.3150000), wk = 0.0031746 k( 122) = ( 0.1500000 0.1500000 0.3000000), wk = 0.0031746 k( 123) = ( 0.1425000 0.1425000 0.2850000), wk = 0.0031746 k( 124) = ( 0.1350000 0.1350000 0.2700000), wk = 0.0031746 k( 125) = ( 0.1275000 0.1275000 0.2550000), wk = 0.0031746 k( 126) = ( 0.1200000 0.1200000 0.2400000), wk = 0.0031746 k( 127) = ( 0.1125000 0.1125000 0.2250000), wk = 0.0031746 k( 128) = ( 0.1050000 0.1050000 0.2100000), wk = 0.0031746 k( 129) = ( 0.0975000 0.0975000 0.1950000), wk = 0.0031746 k( 130) = ( 0.0900000 0.0900000 0.1800000), wk = 0.0031746 k( 131) = ( 0.0825000 0.0825000 0.1650000), wk = 0.0031746 k( 132) = ( 0.0750000 0.0750000 0.1500000), wk = 0.0031746 k( 133) = ( 0.0675000 0.0675000 0.1350000), wk = 0.0031746 k( 134) = ( 0.0600000 0.0600000 0.1200000), wk = 0.0031746 k( 135) = ( 0.0525000 0.0525000 0.1050000), wk = 0.0031746 k( 136) = ( 0.0450000 0.0450000 0.0900000), wk = 0.0031746 k( 137) = ( 0.0375000 0.0375000 0.0750000), wk = 0.0031746 k( 138) = ( 0.0300000 0.0300000 0.0600000), wk = 0.0031746 k( 139) = ( 0.0225000 0.0225000 0.0450000), wk = 0.0031746 k( 140) = ( 0.0150000 0.0150000 0.0300000), wk = 0.0031746 k( 141) = ( 0.0075000 0.0075000 0.0150000), wk = 0.0031746 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 144) = ( 0.0121951 0.0121951 0.0121951), wk = 0.0031746 k( 145) = ( 0.0243902 0.0243902 0.0243902), wk = 0.0031746 k( 146) = ( 0.0365854 0.0365854 0.0365854), wk = 0.0031746 k( 147) = ( 0.0487805 0.0487805 0.0487805), wk = 0.0031746 k( 148) = ( 0.0609756 0.0609756 0.0609756), wk = 0.0031746 k( 149) = ( 0.0731707 0.0731707 0.0731707), wk = 0.0031746 k( 150) = ( 0.0853658 0.0853658 0.0853658), wk = 0.0031746 k( 151) = ( 0.0975610 0.0975610 0.0975610), wk = 0.0031746 k( 152) = ( 0.1097561 0.1097561 0.1097561), wk = 0.0031746 k( 153) = ( 0.1219512 0.1219512 0.1219512), wk = 0.0031746 k( 154) = ( 0.1341463 0.1341463 0.1341463), wk = 0.0031746 k( 155) = ( 0.1463415 0.1463415 0.1463415), wk = 0.0031746 k( 156) = ( 0.1585366 0.1585366 0.1585366), wk = 0.0031746 k( 157) = ( 0.1707317 0.1707317 0.1707317), wk = 0.0031746 k( 158) = ( 0.1829268 0.1829268 0.1829268), wk = 0.0031746 k( 159) = ( 0.1951219 0.1951219 0.1951219), wk = 0.0031746 k( 160) = ( 0.2073171 0.2073171 0.2073171), wk = 0.0031746 k( 161) = ( 0.2195122 0.2195122 0.2195122), wk = 0.0031746 k( 162) = ( 0.2317073 0.2317073 0.2317073), wk = 0.0031746 k( 163) = ( 0.2439024 0.2439024 0.2439024), wk = 0.0031746 k( 164) = ( 0.2560976 0.2560976 0.2560976), wk = 0.0031746 k( 165) = ( 0.2682927 0.2682927 0.2682927), wk = 0.0031746 k( 166) = ( 0.2804878 0.2804878 0.2804878), wk = 0.0031746 k( 167) = ( 0.2926829 0.2926829 0.2926829), wk = 0.0031746 k( 168) = ( 0.3048781 0.3048780 0.3048781), wk = 0.0031746 k( 169) = ( 0.3170732 0.3170732 0.3170732), wk = 0.0031746 k( 170) = ( 0.3292683 0.3292683 0.3292683), wk = 0.0031746 k( 171) = ( 0.3414634 0.3414634 0.3414634), wk = 0.0031746 k( 172) = ( 0.3536585 0.3536585 0.3536585), wk = 0.0031746 k( 173) = ( 0.3658537 0.3658537 0.3658537), wk = 0.0031746 k( 174) = ( 0.3780488 0.3780488 0.3780488), wk = 0.0031746 k( 175) = ( 0.3902439 0.3902439 0.3902439), wk = 0.0031746 k( 176) = ( 0.4024390 0.4024390 0.4024390), wk = 0.0031746 k( 177) = ( 0.4146341 0.4146341 0.4146341), wk = 0.0031746 k( 178) = ( 0.4268293 0.4268293 0.4268293), wk = 0.0031746 k( 179) = ( 0.4390244 0.4390244 0.4390244), wk = 0.0031746 k( 180) = ( 0.4512195 0.4512195 0.4512195), wk = 0.0031746 k( 181) = ( 0.4634146 0.4634146 0.4634146), wk = 0.0031746 k( 182) = ( 0.4756098 0.4756098 0.4756098), wk = 0.0031746 k( 183) = ( 0.4878049 0.4878049 0.4878049), wk = 0.0031746 k( 184) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 k( 185) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 k( 186) = ( 0.5043103 0.4913793 0.5043103), wk = 0.0031746 k( 187) = ( 0.5086207 0.4827586 0.5086207), wk = 0.0031746 k( 188) = ( 0.5129310 0.4741379 0.5129310), wk = 0.0031746 k( 189) = ( 0.5172414 0.4655172 0.5172414), wk = 0.0031746 k( 190) = ( 0.5215517 0.4568966 0.5215517), wk = 0.0031746 k( 191) = ( 0.5258621 0.4482759 0.5258621), wk = 0.0031746 k( 192) = ( 0.5301724 0.4396552 0.5301724), wk = 0.0031746 k( 193) = ( 0.5344828 0.4310345 0.5344828), wk = 0.0031746 k( 194) = ( 0.5387931 0.4224138 0.5387931), wk = 0.0031746 k( 195) = ( 0.5431035 0.4137931 0.5431035), wk = 0.0031746 k( 196) = ( 0.5474138 0.4051724 0.5474138), wk = 0.0031746 k( 197) = ( 0.5517241 0.3965517 0.5517241), wk = 0.0031746 k( 198) = ( 0.5560345 0.3879310 0.5560345), wk = 0.0031746 k( 199) = ( 0.5603448 0.3793103 0.5603448), wk = 0.0031746 k( 200) = ( 0.5646552 0.3706897 0.5646552), wk = 0.0031746 k( 201) = ( 0.5689655 0.3620690 0.5689655), wk = 0.0031746 k( 202) = ( 0.5732759 0.3534483 0.5732759), wk = 0.0031746 k( 203) = ( 0.5775862 0.3448276 0.5775862), wk = 0.0031746 k( 204) = ( 0.5818965 0.3362069 0.5818965), wk = 0.0031746 k( 205) = ( 0.5862069 0.3275862 0.5862069), wk = 0.0031746 k( 206) = ( 0.5905172 0.3189655 0.5905172), wk = 0.0031746 k( 207) = ( 0.5948276 0.3103448 0.5948276), wk = 0.0031746 k( 208) = ( 0.5991379 0.3017241 0.5991379), wk = 0.0031746 k( 209) = ( 0.6034483 0.2931034 0.6034483), wk = 0.0031746 k( 210) = ( 0.6077586 0.2844828 0.6077586), wk = 0.0031746 k( 211) = ( 0.6120690 0.2758621 0.6120690), wk = 0.0031746 k( 212) = ( 0.6163793 0.2672414 0.6163793), wk = 0.0031746 k( 213) = ( 0.6206897 0.2586207 0.6206897), wk = 0.0031746 k( 214) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031746 k( 215) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031746 k( 216) = ( 0.6176471 0.2500000 0.6323529), wk = 0.0031746 k( 217) = ( 0.6102941 0.2500000 0.6397059), wk = 0.0031746 k( 218) = ( 0.6029412 0.2500000 0.6470588), wk = 0.0031746 k( 219) = ( 0.5955882 0.2500000 0.6544118), wk = 0.0031746 k( 220) = ( 0.5882353 0.2500000 0.6617647), wk = 0.0031746 k( 221) = ( 0.5808823 0.2500000 0.6691177), wk = 0.0031746 k( 222) = ( 0.5735294 0.2500000 0.6764706), wk = 0.0031746 k( 223) = ( 0.5661765 0.2500000 0.6838235), wk = 0.0031746 k( 224) = ( 0.5588235 0.2500000 0.6911765), wk = 0.0031746 k( 225) = ( 0.5514706 0.2500000 0.6985294), wk = 0.0031746 k( 226) = ( 0.5441177 0.2500000 0.7058823), wk = 0.0031746 k( 227) = ( 0.5367647 0.2500000 0.7132353), wk = 0.0031746 k( 228) = ( 0.5294118 0.2500000 0.7205882), wk = 0.0031746 k( 229) = ( 0.5220588 0.2500000 0.7279412), wk = 0.0031746 k( 230) = ( 0.5147059 0.2500000 0.7352941), wk = 0.0031746 k( 231) = ( 0.5073529 0.2500000 0.7426471), wk = 0.0031746 k( 232) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031746 k( 233) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0031746 k( 234) = ( 0.5000000 0.2573529 0.7426471), wk = 0.0031746 k( 235) = ( 0.5000000 0.2647059 0.7352941), wk = 0.0031746 k( 236) = ( 0.5000000 0.2720588 0.7279412), wk = 0.0031746 k( 237) = ( 0.5000000 0.2794118 0.7205882), wk = 0.0031746 k( 238) = ( 0.5000000 0.2867647 0.7132353), wk = 0.0031746 k( 239) = ( 0.5000000 0.2941177 0.7058823), wk = 0.0031746 k( 240) = ( 0.5000000 0.3014706 0.6985294), wk = 0.0031746 k( 241) = ( 0.5000000 0.3088235 0.6911765), wk = 0.0031746 k( 242) = ( 0.5000000 0.3161765 0.6838235), wk = 0.0031746 k( 243) = ( 0.5000000 0.3235294 0.6764706), wk = 0.0031746 k( 244) = ( 0.5000000 0.3308823 0.6691177), wk = 0.0031746 k( 245) = ( 0.5000000 0.3382353 0.6617647), wk = 0.0031746 k( 246) = ( 0.5000000 0.3455882 0.6544118), wk = 0.0031746 k( 247) = ( 0.5000000 0.3529412 0.6470588), wk = 0.0031746 k( 248) = ( 0.5000000 0.3602941 0.6397059), wk = 0.0031746 k( 249) = ( 0.5000000 0.3676471 0.6323529), wk = 0.0031746 k( 250) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0031746 k( 251) = ( 0.5000000 0.3823529 0.6176471), wk = 0.0031746 k( 252) = ( 0.5000000 0.3897059 0.6102941), wk = 0.0031746 k( 253) = ( 0.5000000 0.3970588 0.6029412), wk = 0.0031746 k( 254) = ( 0.5000000 0.4044118 0.5955882), wk = 0.0031746 k( 255) = ( 0.5000000 0.4117647 0.5882353), wk = 0.0031746 k( 256) = ( 0.5000000 0.4191177 0.5808823), wk = 0.0031746 k( 257) = ( 0.5000000 0.4264706 0.5735294), wk = 0.0031746 k( 258) = ( 0.5000000 0.4338235 0.5661765), wk = 0.0031746 k( 259) = ( 0.5000000 0.4411765 0.5588235), wk = 0.0031746 k( 260) = ( 0.5000000 0.4485294 0.5514706), wk = 0.0031746 k( 261) = ( 0.5000000 0.4558823 0.5441177), wk = 0.0031746 k( 262) = ( 0.5000000 0.4632353 0.5367647), wk = 0.0031746 k( 263) = ( 0.5000000 0.4705882 0.5294118), wk = 0.0031746 k( 264) = ( 0.5000000 0.4779412 0.5220588), wk = 0.0031746 k( 265) = ( 0.5000000 0.4852941 0.5147059), wk = 0.0031746 k( 266) = ( 0.5000000 0.4926471 0.5073529), wk = 0.0031746 k( 267) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 k( 268) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 k( 269) = ( 0.4956897 0.4956897 0.5086207), wk = 0.0031746 k( 270) = ( 0.4913793 0.4913793 0.5172414), wk = 0.0031746 k( 271) = ( 0.4870690 0.4870690 0.5258621), wk = 0.0031746 k( 272) = ( 0.4827586 0.4827586 0.5344828), wk = 0.0031746 k( 273) = ( 0.4784483 0.4784483 0.5431034), wk = 0.0031746 k( 274) = ( 0.4741379 0.4741379 0.5517241), wk = 0.0031746 k( 275) = ( 0.4698276 0.4698276 0.5603448), wk = 0.0031746 k( 276) = ( 0.4655172 0.4655172 0.5689655), wk = 0.0031746 k( 277) = ( 0.4612069 0.4612069 0.5775862), wk = 0.0031746 k( 278) = ( 0.4568966 0.4568966 0.5862069), wk = 0.0031746 k( 279) = ( 0.4525862 0.4525862 0.5948276), wk = 0.0031746 k( 280) = ( 0.4482759 0.4482759 0.6034483), wk = 0.0031746 k( 281) = ( 0.4439655 0.4439655 0.6120690), wk = 0.0031746 k( 282) = ( 0.4396552 0.4396552 0.6206897), wk = 0.0031746 k( 283) = ( 0.4353448 0.4353448 0.6293103), wk = 0.0031746 k( 284) = ( 0.4310345 0.4310345 0.6379310), wk = 0.0031746 k( 285) = ( 0.4267241 0.4267241 0.6465517), wk = 0.0031746 k( 286) = ( 0.4224138 0.4224138 0.6551724), wk = 0.0031746 k( 287) = ( 0.4181034 0.4181034 0.6637931), wk = 0.0031746 k( 288) = ( 0.4137931 0.4137931 0.6724138), wk = 0.0031746 k( 289) = ( 0.4094828 0.4094828 0.6810345), wk = 0.0031746 k( 290) = ( 0.4051724 0.4051724 0.6896552), wk = 0.0031746 k( 291) = ( 0.4008621 0.4008621 0.6982759), wk = 0.0031746 k( 292) = ( 0.3965517 0.3965517 0.7068965), wk = 0.0031746 k( 293) = ( 0.3922414 0.3922414 0.7155172), wk = 0.0031746 k( 294) = ( 0.3879310 0.3879310 0.7241379), wk = 0.0031746 k( 295) = ( 0.3836207 0.3836207 0.7327586), wk = 0.0031746 k( 296) = ( 0.3793103 0.3793103 0.7413793), wk = 0.0031746 k( 297) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0031746 k( 298) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0031746 k( 299) = ( 0.6176471 0.2352941 0.6176471), wk = 0.0031746 k( 300) = ( 0.6102941 0.2205882 0.6102941), wk = 0.0031746 k( 301) = ( 0.6029412 0.2058823 0.6029412), wk = 0.0031746 k( 302) = ( 0.5955882 0.1911765 0.5955882), wk = 0.0031746 k( 303) = ( 0.5882353 0.1764706 0.5882353), wk = 0.0031746 k( 304) = ( 0.5808823 0.1617647 0.5808823), wk = 0.0031746 k( 305) = ( 0.5735294 0.1470588 0.5735294), wk = 0.0031746 k( 306) = ( 0.5661765 0.1323529 0.5661765), wk = 0.0031746 k( 307) = ( 0.5588235 0.1176471 0.5588235), wk = 0.0031746 k( 308) = ( 0.5514706 0.1029412 0.5514706), wk = 0.0031746 k( 309) = ( 0.5441177 0.0882353 0.5441177), wk = 0.0031746 k( 310) = ( 0.5367647 0.0735294 0.5367647), wk = 0.0031746 k( 311) = ( 0.5294118 0.0588235 0.5294118), wk = 0.0031746 k( 312) = ( 0.5220588 0.0441177 0.5220588), wk = 0.0031746 k( 313) = ( 0.5147059 0.0294118 0.5147059), wk = 0.0031746 k( 314) = ( 0.5073529 0.0147059 0.5073529), wk = 0.0031746 k( 315) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031746 Dense grid: 138503 G-vectors FFT dimensions: ( 75, 75, 75) Smooth grid: 71537 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.30 Mb ( 524, 38) NL pseudopotentials 0.38 Mb ( 262, 96) Each V/rho on FFT grid 0.26 Mb ( 16875) Each G-vector array 0.03 Mb ( 3848) G-vector shells 0.01 Mb ( 781) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.22 Mb ( 524, 152) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.11 Mb ( 96, 2, 38) The potential is recalculated from file : ./LiCd.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 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 3.6 secs Computing kpt #: 3 total cpu time spent up to now is 4.3 secs Computing kpt #: 4 total cpu time spent up to now is 5.0 secs Computing kpt #: 5 total cpu time spent up to now is 5.8 secs Computing kpt #: 6 total cpu time spent up to now is 6.6 secs Computing kpt #: 7 total cpu time spent up to now is 7.4 secs Computing kpt #: 8 total cpu time spent up to now is 8.4 secs Computing kpt #: 9 total cpu time spent up to now is 9.3 secs Computing kpt #: 10 total cpu time spent up to now is 10.4 secs Computing kpt #: 11 total cpu time spent up to now is 11.5 secs Computing kpt #: 12 total cpu time spent up to now is 12.5 secs Computing kpt #: 13 total cpu time spent up to now is 13.6 secs Computing kpt #: 14 total cpu time spent up to now is 14.7 secs Computing kpt #: 15 total cpu time spent up to now is 15.7 secs Computing kpt #: 16 total cpu time spent up to now is 16.5 secs Computing kpt #: 17 total cpu time spent up to now is 17.4 secs Computing kpt #: 18 total cpu time spent up to now is 18.2 secs Computing kpt #: 19 total cpu time spent up to now is 18.9 secs Computing kpt #: 20 total cpu time spent up to now is 19.8 secs Computing kpt #: 21 total cpu time spent up to now is 20.4 secs Computing kpt #: 22 total cpu time spent up to now is 21.1 secs Computing kpt #: 23 total cpu time spent up to now is 21.7 secs Computing kpt #: 24 total cpu time spent up to now is 22.3 secs Computing kpt #: 25 total cpu time spent up to now is 23.0 secs Computing kpt #: 26 total cpu time spent up to now is 23.6 secs Computing kpt #: 27 total cpu time spent up to now is 24.3 secs Computing kpt #: 28 total cpu time spent up to now is 24.9 secs Computing kpt #: 29 total cpu time spent up to now is 25.5 secs Computing kpt #: 30 total cpu time spent up to now is 26.2 secs Computing kpt #: 31 total cpu time spent up to now is 26.8 secs Computing kpt #: 32 total cpu time spent up to now is 27.5 secs Computing kpt #: 33 total cpu time spent up to now is 28.1 secs Computing kpt #: 34 total cpu time spent up to now is 28.7 secs Computing kpt #: 35 total cpu time spent up to now is 29.3 secs Computing kpt #: 36 total cpu time spent up to now is 30.0 secs Computing kpt #: 37 total cpu time spent up to now is 30.6 secs Computing kpt #: 38 total cpu time spent up to now is 31.2 secs Computing kpt #: 39 total cpu time spent up to now is 31.9 secs Computing kpt #: 40 total cpu time spent up to now is 32.5 secs Computing kpt #: 41 total cpu time spent up to now is 33.1 secs Computing kpt #: 42 total cpu time spent up to now is 33.8 secs Computing kpt #: 43 total cpu time spent up to now is 34.5 secs Computing kpt #: 44 total cpu time spent up to now is 35.3 secs Computing kpt #: 45 total cpu time spent up to now is 36.1 secs Computing kpt #: 46 total cpu time spent up to now is 36.9 secs Computing kpt #: 47 total cpu time spent up to now is 37.8 secs Computing kpt #: 48 total cpu time spent up to now is 38.7 secs Computing kpt #: 49 total cpu time spent up to now is 39.5 secs Computing kpt #: 50 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 41.1 secs Computing kpt #: 51 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 42.6 secs Computing kpt #: 52 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 44.1 secs Computing kpt #: 53 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 45.7 secs Computing kpt #: 54 total cpu time spent up to now is 47.2 secs Computing kpt #: 55 total cpu time spent up to now is 48.7 secs Computing kpt #: 56 total cpu time spent up to now is 49.6 secs Computing kpt #: 57 total cpu time spent up to now is 50.6 secs Computing kpt #: 58 total cpu time spent up to now is 51.7 secs Computing kpt #: 59 total cpu time spent up to now is 52.4 secs Computing kpt #: 60 total cpu time spent up to now is 53.1 secs Computing kpt #: 61 total cpu time spent up to now is 53.7 secs Computing kpt #: 62 total cpu time spent up to now is 54.3 secs Computing kpt #: 63 total cpu time spent up to now is 55.0 secs Computing kpt #: 64 total cpu time spent up to now is 55.6 secs Computing kpt #: 65 total cpu time spent up to now is 56.2 secs Computing kpt #: 66 total cpu time spent up to now is 56.9 secs Computing kpt #: 67 total cpu time spent up to now is 57.5 secs Computing kpt #: 68 total cpu time spent up to now is 58.2 secs Computing kpt #: 69 total cpu time spent up to now is 58.8 secs Computing kpt #: 70 total cpu time spent up to now is 59.4 secs Computing kpt #: 71 total cpu time spent up to now is 60.0 secs Computing kpt #: 72 total cpu time spent up to now is 60.6 secs Computing kpt #: 73 total cpu time spent up to now is 61.2 secs Computing kpt #: 74 total cpu time spent up to now is 61.9 secs Computing kpt #: 75 total cpu time spent up to now is 62.4 secs Computing kpt #: 76 total cpu time spent up to now is 63.0 secs Computing kpt #: 77 total cpu time spent up to now is 63.5 secs Computing kpt #: 78 total cpu time spent up to now is 64.1 secs Computing kpt #: 79 total cpu time spent up to now is 64.7 secs Computing kpt #: 80 total cpu time spent up to now is 65.3 secs Computing kpt #: 81 total cpu time spent up to now is 65.9 secs Computing kpt #: 82 total cpu time spent up to now is 66.5 secs Computing kpt #: 83 total cpu time spent up to now is 67.1 secs Computing kpt #: 84 total cpu time spent up to now is 67.8 secs Computing kpt #: 85 total cpu time spent up to now is 68.4 secs Computing kpt #: 86 total cpu time spent up to now is 69.0 secs Computing kpt #: 87 total cpu time spent up to now is 69.7 secs Computing kpt #: 88 total cpu time spent up to now is 70.4 secs Computing kpt #: 89 total cpu time spent up to now is 71.5 secs Computing kpt #: 90 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 73.1 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 74.7 secs Computing kpt #: 92 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 76.4 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 78.0 secs Computing kpt #: 94 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 79.5 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 81.2 secs Computing kpt #: 96 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 82.7 secs Computing kpt #: 97 total cpu time spent up to now is 83.6 secs Computing kpt #: 98 total cpu time spent up to now is 84.3 secs Computing kpt #: 99 total cpu time spent up to now is 85.4 secs Computing kpt #: 100 total cpu time spent up to now is 86.0 secs Computing kpt #: 101 total cpu time spent up to now is 86.7 secs Computing kpt #: 102 total cpu time spent up to now is 87.4 secs Computing kpt #: 103 total cpu time spent up to now is 88.0 secs Computing kpt #: 104 total cpu time spent up to now is 88.7 secs Computing kpt #: 105 total cpu time spent up to now is 89.3 secs Computing kpt #: 106 total cpu time spent up to now is 90.0 secs Computing kpt #: 107 total cpu time spent up to now is 90.7 secs Computing kpt #: 108 total cpu time spent up to now is 91.4 secs Computing kpt #: 109 total cpu time spent up to now is 92.0 secs Computing kpt #: 110 total cpu time spent up to now is 92.7 secs Computing kpt #: 111 total cpu time spent up to now is 93.4 secs Computing kpt #: 112 total cpu time spent up to now is 94.0 secs Computing kpt #: 113 total cpu time spent up to now is 94.7 secs Computing kpt #: 114 total cpu time spent up to now is 95.3 secs Computing kpt #: 115 total cpu time spent up to now is 96.0 secs Computing kpt #: 116 total cpu time spent up to now is 96.7 secs Computing kpt #: 117 total cpu time spent up to now is 97.4 secs Computing kpt #: 118 total cpu time spent up to now is 98.1 secs Computing kpt #: 119 total cpu time spent up to now is 98.8 secs Computing kpt #: 120 total cpu time spent up to now is 99.4 secs Computing kpt #: 121 total cpu time spent up to now is 100.1 secs Computing kpt #: 122 total cpu time spent up to now is 100.8 secs Computing kpt #: 123 total cpu time spent up to now is 101.5 secs Computing kpt #: 124 total cpu time spent up to now is 102.2 secs Computing kpt #: 125 total cpu time spent up to now is 102.9 secs Computing kpt #: 126 total cpu time spent up to now is 103.6 secs Computing kpt #: 127 total cpu time spent up to now is 104.3 secs Computing kpt #: 128 total cpu time spent up to now is 105.0 secs Computing kpt #: 129 total cpu time spent up to now is 105.8 secs Computing kpt #: 130 total cpu time spent up to now is 106.5 secs Computing kpt #: 131 total cpu time spent up to now is 107.4 secs Computing kpt #: 132 total cpu time spent up to now is 108.3 secs Computing kpt #: 133 total cpu time spent up to now is 109.4 secs Computing kpt #: 134 total cpu time spent up to now is 110.2 secs Computing kpt #: 135 total cpu time spent up to now is 110.9 secs Computing kpt #: 136 total cpu time spent up to now is 111.6 secs Computing kpt #: 137 total cpu time spent up to now is 112.2 secs Computing kpt #: 138 total cpu time spent up to now is 113.0 secs Computing kpt #: 139 total cpu time spent up to now is 113.7 secs Computing kpt #: 140 total cpu time spent up to now is 114.4 secs Computing kpt #: 141 total cpu time spent up to now is 115.1 secs Computing kpt #: 142 total cpu time spent up to now is 115.8 secs Computing kpt #: 143 total cpu time spent up to now is 116.5 secs Computing kpt #: 144 total cpu time spent up to now is 117.2 secs Computing kpt #: 145 total cpu time spent up to now is 117.9 secs Computing kpt #: 146 total cpu time spent up to now is 118.7 secs Computing kpt #: 147 total cpu time spent up to now is 119.4 secs Computing kpt #: 148 total cpu time spent up to now is 120.0 secs Computing kpt #: 149 total cpu time spent up to now is 120.7 secs Computing kpt #: 150 total cpu time spent up to now is 121.4 secs Computing kpt #: 151 total cpu time spent up to now is 122.1 secs Computing kpt #: 152 total cpu time spent up to now is 122.8 secs Computing kpt #: 153 total cpu time spent up to now is 123.6 secs Computing kpt #: 154 total cpu time spent up to now is 124.4 secs Computing kpt #: 155 total cpu time spent up to now is 125.2 secs Computing kpt #: 156 total cpu time spent up to now is 126.0 secs Computing kpt #: 157 total cpu time spent up to now is 126.7 secs Computing kpt #: 158 total cpu time spent up to now is 127.4 secs Computing kpt #: 159 total cpu time spent up to now is 128.2 secs Computing kpt #: 160 total cpu time spent up to now is 128.8 secs Computing kpt #: 161 total cpu time spent up to now is 129.5 secs Computing kpt #: 162 total cpu time spent up to now is 130.0 secs Computing kpt #: 163 total cpu time spent up to now is 130.5 secs Computing kpt #: 164 total cpu time spent up to now is 131.1 secs Computing kpt #: 165 total cpu time spent up to now is 131.6 secs Computing kpt #: 166 total cpu time spent up to now is 132.2 secs Computing kpt #: 167 total cpu time spent up to now is 132.7 secs Computing kpt #: 168 total cpu time spent up to now is 133.2 secs Computing kpt #: 169 total cpu time spent up to now is 133.7 secs Computing kpt #: 170 total cpu time spent up to now is 134.3 secs Computing kpt #: 171 total cpu time spent up to now is 134.8 secs Computing kpt #: 172 total cpu time spent up to now is 135.3 secs Computing kpt #: 173 total cpu time spent up to now is 135.8 secs Computing kpt #: 174 total cpu time spent up to now is 136.3 secs Computing kpt #: 175 total cpu time spent up to now is 136.8 secs Computing kpt #: 176 total cpu time spent up to now is 137.4 secs Computing kpt #: 177 total cpu time spent up to now is 137.9 secs Computing kpt #: 178 total cpu time spent up to now is 138.4 secs Computing kpt #: 179 total cpu time spent up to now is 138.9 secs Computing kpt #: 180 total cpu time spent up to now is 139.4 secs Computing kpt #: 181 total cpu time spent up to now is 139.9 secs Computing kpt #: 182 total cpu time spent up to now is 140.3 secs Computing kpt #: 183 total cpu time spent up to now is 140.9 secs Computing kpt #: 184 total cpu time spent up to now is 141.4 secs Computing kpt #: 185 total cpu time spent up to now is 141.8 secs Computing kpt #: 186 total cpu time spent up to now is 142.4 secs Computing kpt #: 187 total cpu time spent up to now is 142.9 secs Computing kpt #: 188 total cpu time spent up to now is 143.4 secs Computing kpt #: 189 total cpu time spent up to now is 143.9 secs Computing kpt #: 190 total cpu time spent up to now is 144.5 secs Computing kpt #: 191 total cpu time spent up to now is 145.0 secs Computing kpt #: 192 total cpu time spent up to now is 145.5 secs Computing kpt #: 193 total cpu time spent up to now is 146.1 secs Computing kpt #: 194 total cpu time spent up to now is 146.6 secs Computing kpt #: 195 total cpu time spent up to now is 147.2 secs Computing kpt #: 196 total cpu time spent up to now is 147.7 secs Computing kpt #: 197 total cpu time spent up to now is 148.2 secs Computing kpt #: 198 total cpu time spent up to now is 148.7 secs Computing kpt #: 199 total cpu time spent up to now is 149.3 secs Computing kpt #: 200 total cpu time spent up to now is 149.8 secs Computing kpt #: 201 total cpu time spent up to now is 150.4 secs Computing kpt #: 202 total cpu time spent up to now is 151.0 secs Computing kpt #: 203 total cpu time spent up to now is 151.5 secs Computing kpt #: 204 total cpu time spent up to now is 152.3 secs Computing kpt #: 205 total cpu time spent up to now is 153.1 secs Computing kpt #: 206 total cpu time spent up to now is 153.7 secs Computing kpt #: 207 total cpu time spent up to now is 154.3 secs Computing kpt #: 208 total cpu time spent up to now is 154.8 secs Computing kpt #: 209 total cpu time spent up to now is 155.5 secs Computing kpt #: 210 total cpu time spent up to now is 156.1 secs Computing kpt #: 211 total cpu time spent up to now is 156.8 secs Computing kpt #: 212 total cpu time spent up to now is 157.4 secs Computing kpt #: 213 total cpu time spent up to now is 158.3 secs Computing kpt #: 214 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 159.9 secs Computing kpt #: 215 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 161.6 secs Computing kpt #: 216 total cpu time spent up to now is 163.1 secs Computing kpt #: 217 total cpu time spent up to now is 163.9 secs Computing kpt #: 218 total cpu time spent up to now is 164.6 secs Computing kpt #: 219 total cpu time spent up to now is 165.3 secs Computing kpt #: 220 total cpu time spent up to now is 165.9 secs Computing kpt #: 221 total cpu time spent up to now is 166.5 secs Computing kpt #: 222 total cpu time spent up to now is 167.2 secs Computing kpt #: 223 total cpu time spent up to now is 167.8 secs Computing kpt #: 224 total cpu time spent up to now is 168.5 secs Computing kpt #: 225 total cpu time spent up to now is 169.0 secs Computing kpt #: 226 total cpu time spent up to now is 169.6 secs Computing kpt #: 227 total cpu time spent up to now is 170.1 secs Computing kpt #: 228 total cpu time spent up to now is 170.7 secs Computing kpt #: 229 total cpu time spent up to now is 171.3 secs Computing kpt #: 230 total cpu time spent up to now is 171.8 secs Computing kpt #: 231 total cpu time spent up to now is 172.4 secs Computing kpt #: 232 total cpu time spent up to now is 173.0 secs Computing kpt #: 233 total cpu time spent up to now is 173.7 secs Computing kpt #: 234 total cpu time spent up to now is 174.2 secs Computing kpt #: 235 total cpu time spent up to now is 174.8 secs Computing kpt #: 236 total cpu time spent up to now is 175.3 secs Computing kpt #: 237 total cpu time spent up to now is 175.9 secs Computing kpt #: 238 total cpu time spent up to now is 176.4 secs Computing kpt #: 239 total cpu time spent up to now is 177.0 secs Computing kpt #: 240 total cpu time spent up to now is 177.5 secs Computing kpt #: 241 total cpu time spent up to now is 178.1 secs Computing kpt #: 242 total cpu time spent up to now is 178.6 secs Computing kpt #: 243 total cpu time spent up to now is 179.2 secs Computing kpt #: 244 total cpu time spent up to now is 179.7 secs Computing kpt #: 245 total cpu time spent up to now is 180.2 secs Computing kpt #: 246 total cpu time spent up to now is 180.8 secs Computing kpt #: 247 total cpu time spent up to now is 181.3 secs Computing kpt #: 248 total cpu time spent up to now is 181.9 secs Computing kpt #: 249 total cpu time spent up to now is 182.5 secs Computing kpt #: 250 total cpu time spent up to now is 183.0 secs Computing kpt #: 251 total cpu time spent up to now is 183.6 secs Computing kpt #: 252 total cpu time spent up to now is 184.1 secs Computing kpt #: 253 total cpu time spent up to now is 184.7 secs Computing kpt #: 254 total cpu time spent up to now is 185.2 secs Computing kpt #: 255 total cpu time spent up to now is 185.7 secs Computing kpt #: 256 total cpu time spent up to now is 186.3 secs Computing kpt #: 257 total cpu time spent up to now is 186.8 secs Computing kpt #: 258 total cpu time spent up to now is 187.3 secs Computing kpt #: 259 total cpu time spent up to now is 187.9 secs Computing kpt #: 260 total cpu time spent up to now is 188.4 secs Computing kpt #: 261 total cpu time spent up to now is 188.9 secs Computing kpt #: 262 total cpu time spent up to now is 189.5 secs Computing kpt #: 263 total cpu time spent up to now is 190.0 secs Computing kpt #: 264 total cpu time spent up to now is 190.5 secs Computing kpt #: 265 total cpu time spent up to now is 191.0 secs Computing kpt #: 266 total cpu time spent up to now is 191.6 secs Computing kpt #: 267 total cpu time spent up to now is 192.1 secs Computing kpt #: 268 total cpu time spent up to now is 192.5 secs Computing kpt #: 269 total cpu time spent up to now is 193.1 secs Computing kpt #: 270 total cpu time spent up to now is 193.6 secs Computing kpt #: 271 total cpu time spent up to now is 194.1 secs Computing kpt #: 272 total cpu time spent up to now is 194.6 secs Computing kpt #: 273 total cpu time spent up to now is 195.2 secs Computing kpt #: 274 total cpu time spent up to now is 195.7 secs Computing kpt #: 275 total cpu time spent up to now is 196.3 secs Computing kpt #: 276 total cpu time spent up to now is 196.8 secs Computing kpt #: 277 total cpu time spent up to now is 197.3 secs Computing kpt #: 278 total cpu time spent up to now is 197.9 secs Computing kpt #: 279 total cpu time spent up to now is 198.4 secs Computing kpt #: 280 total cpu time spent up to now is 198.9 secs Computing kpt #: 281 total cpu time spent up to now is 199.5 secs Computing kpt #: 282 total cpu time spent up to now is 200.0 secs Computing kpt #: 283 total cpu time spent up to now is 200.6 secs Computing kpt #: 284 total cpu time spent up to now is 201.1 secs Computing kpt #: 285 total cpu time spent up to now is 201.7 secs Computing kpt #: 286 total cpu time spent up to now is 202.2 secs Computing kpt #: 287 total cpu time spent up to now is 202.8 secs Computing kpt #: 288 total cpu time spent up to now is 203.4 secs Computing kpt #: 289 total cpu time spent up to now is 203.9 secs Computing kpt #: 290 total cpu time spent up to now is 204.5 secs Computing kpt #: 291 total cpu time spent up to now is 205.1 secs Computing kpt #: 292 total cpu time spent up to now is 205.8 secs Computing kpt #: 293 total cpu time spent up to now is 206.4 secs Computing kpt #: 294 total cpu time spent up to now is 207.1 secs Computing kpt #: 295 total cpu time spent up to now is 207.7 secs Computing kpt #: 296 total cpu time spent up to now is 208.5 secs Computing kpt #: 297 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 210.2 secs Computing kpt #: 298 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 211.8 secs Computing kpt #: 299 total cpu time spent up to now is 213.3 secs Computing kpt #: 300 total cpu time spent up to now is 214.7 secs Computing kpt #: 301 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 216.3 secs Computing kpt #: 302 total cpu time spent up to now is 217.4 secs Computing kpt #: 303 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 219.0 secs Computing kpt #: 304 total cpu time spent up to now is 220.5 secs Computing kpt #: 305 total cpu time spent up to now is 221.5 secs Computing kpt #: 306 total cpu time spent up to now is 223.0 secs Computing kpt #: 307 total cpu time spent up to now is 223.9 secs Computing kpt #: 308 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 225.6 secs Computing kpt #: 309 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 227.2 secs Computing kpt #: 310 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 228.9 secs Computing kpt #: 311 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 230.5 secs Computing kpt #: 312 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 232.1 secs Computing kpt #: 313 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 233.7 secs Computing kpt #: 314 total cpu time spent up to now is 234.7 secs Computing kpt #: 315 total cpu time spent up to now is 235.5 secs ethr = 3.33E-08, avg # of iterations = 34.2 total cpu time spent up to now is 235.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8873 PWs) bands (ev): -39.2393 -39.2393 -39.2175 -39.2175 -2.0503 -2.0503 -2.0503 -2.0503 -1.9522 -1.9522 -1.9522 -1.9522 -1.5549 -1.5549 -1.1427 -1.1427 -1.1427 -1.1427 -0.9034 -0.9034 -0.8570 -0.8570 -0.8570 -0.8570 0.1355 0.1355 10.2536 10.2536 10.3776 10.3776 10.5348 10.5348 10.5348 10.5348 10.5563 10.5563 10.5563 10.5563 k = 0.0106-0.0061 0.0087 ( 8921 PWs) bands (ev): -39.2394 -39.2394 -39.2175 -39.2175 -2.0504 -2.0504 -2.0504 -2.0504 -1.9523 -1.9523 -1.9521 -1.9521 -1.5546 -1.5546 -1.1432 -1.1432 -1.1425 -1.1425 -0.9036 -0.9036 -0.8571 -0.8571 -0.8566 -0.8566 0.1370 0.1370 10.1996 10.1996 10.2952 10.2952 10.4697 10.4697 10.5025 10.5025 10.6643 10.6643 10.6710 10.6710 k = 0.0213-0.0123 0.0174 ( 8965 PWs) bands (ev): -39.2393 -39.2393 -39.2176 -39.2176 -2.0506 -2.0506 -2.0504 -2.0504 -1.9526 -1.9526 -1.9515 -1.9515 -1.5536 -1.5536 -1.1447 -1.1447 -1.1420 -1.1420 -0.9042 -0.9042 -0.8575 -0.8575 -0.8557 -0.8557 0.1417 0.1417 10.0808 10.0808 10.1528 10.1528 10.4119 10.4119 10.4904 10.4905 10.8093 10.8093 10.8256 10.8256 k = 0.0319-0.0184 0.0261 ( 8977 PWs) bands (ev): -39.2393 -39.2393 -39.2176 -39.2176 -2.0509 -2.0509 -2.0505 -2.0505 -1.9531 -1.9531 -1.9506 -1.9506 -1.5519 -1.5519 -1.1471 -1.1471 -1.1410 -1.1410 -0.9050 -0.9050 -0.8582 -0.8582 -0.8542 -0.8542 0.1495 0.1495 9.9421 9.9421 10.0030 10.0030 10.3447 10.3447 10.4779 10.4779 10.9663 10.9663 10.9884 10.9884 k = 0.0426-0.0246 0.0347 ( 8977 PWs) bands (ev): -39.2393 -39.2393 -39.2177 -39.2177 -2.0514 -2.0514 -2.0506 -2.0506 -1.9538 -1.9538 -1.9494 -1.9494 -1.5496 -1.5496 -1.1504 -1.1504 -1.1396 -1.1396 -0.9059 -0.9059 -0.8592 -0.8592 -0.8523 -0.8523 0.1604 0.1604 9.7981 9.7981 9.8531 9.8531 10.2632 10.2632 10.4619 10.4619 11.1295 11.1295 11.1551 11.1551 k = 0.0532-0.0307 0.0434 ( 8993 PWs) bands (ev): -39.2392 -39.2392 -39.2177 -39.2177 -2.0519 -2.0519 -2.0508 -2.0508 -1.9546 -1.9546 -1.9479 -1.9479 -1.5467 -1.5467 -1.1546 -1.1546 -1.1379 -1.1379 -0.9068 -0.9068 -0.8604 -0.8604 -0.8503 -0.8503 0.1744 0.1744 9.6533 9.6533 9.7047 9.7047 10.1686 10.1686 10.4423 10.4423 11.2967 11.2967 11.3247 11.3247 k = 0.0638-0.0369 0.0521 ( 8993 PWs) bands (ev): -39.2391 -39.2391 -39.2178 -39.2178 -2.0526 -2.0526 -2.0509 -2.0509 -1.9556 -1.9556 -1.9461 -1.9461 -1.5431 -1.5431 -1.1596 -1.1596 -1.1358 -1.1358 -0.9076 -0.9076 -0.8619 -0.8619 -0.8482 -0.8482 0.1915 0.1915 9.5094 9.5094 9.5583 9.5583 10.0629 10.0629 10.4194 10.4194 11.4660 11.4660 11.4966 11.4966 k = 0.0745-0.0430 0.0608 ( 8993 PWs) bands (ev): -39.2391 -39.2391 -39.2179 -39.2179 -2.0533 -2.0533 -2.0511 -2.0511 -1.9568 -1.9568 -1.9439 -1.9439 -1.5389 -1.5389 -1.1654 -1.1653 -1.1334 -1.1334 -0.9082 -0.9082 -0.8636 -0.8636 -0.8462 -0.8462 0.2117 0.2117 9.3670 9.3670 9.4142 9.4142 9.9477 9.9477 10.3933 10.3933 11.5869 11.5869 11.6541 11.6541 k = 0.0851-0.0491 0.0695 ( 9005 PWs) bands (ev): -39.2390 -39.2390 -39.2180 -39.2180 -2.0542 -2.0542 -2.0513 -2.0513 -1.9581 -1.9581 -1.9415 -1.9415 -1.5342 -1.5342 -1.1718 -1.1718 -1.1306 -1.1306 -0.9085 -0.9085 -0.8655 -0.8655 -0.8444 -0.8444 0.2350 0.2350 9.2267 9.2267 9.2726 9.2726 9.8243 9.8243 10.3647 10.3647 11.5059 11.5059 11.8208 11.8208 k = 0.0957-0.0553 0.0782 ( 9005 PWs) bands (ev): -39.2389 -39.2389 -39.2181 -39.2181 -2.0550 -2.0550 -2.0515 -2.0515 -1.9596 -1.9596 -1.9389 -1.9389 -1.5290 -1.5290 -1.1788 -1.1788 -1.1275 -1.1275 -0.9085 -0.9085 -0.8676 -0.8676 -0.8428 -0.8428 0.2614 0.2614 9.0887 9.0887 9.1335 9.1335 9.6933 9.6933 10.3338 10.3338 11.4064 11.4064 11.9977 11.9977 k = 0.1064-0.0614 0.0869 ( 9001 PWs) bands (ev): -39.2388 -39.2388 -39.2182 -39.2182 -2.0559 -2.0559 -2.0516 -2.0516 -1.9611 -1.9611 -1.9360 -1.9360 -1.5232 -1.5232 -1.1863 -1.1863 -1.1241 -1.1241 -0.9082 -0.9082 -0.8699 -0.8699 -0.8415 -0.8415 0.2908 0.2908 8.9530 8.9530 8.9971 8.9971 9.5556 9.5556 10.3010 10.3010 11.3014 11.3014 12.1759 12.1759 k = 0.1170-0.0676 0.0955 ( 8993 PWs) bands (ev): -39.2386 -39.2386 -39.2183 -39.2183 -2.0568 -2.0568 -2.0518 -2.0518 -1.9628 -1.9628 -1.9329 -1.9329 -1.5170 -1.5170 -1.1943 -1.1943 -1.1205 -1.1205 -0.9075 -0.9075 -0.8724 -0.8724 -0.8406 -0.8406 0.3233 0.3233 8.8198 8.8198 8.8633 8.8633 9.4115 9.4115 10.2668 10.2668 11.1949 11.1949 12.3490 12.3490 k = 0.1277-0.0737 0.1042 ( 8993 PWs) bands (ev): -39.2385 -39.2385 -39.2184 -39.2184 -2.0577 -2.0577 -2.0520 -2.0520 -1.9645 -1.9645 -1.9297 -1.9297 -1.5104 -1.5104 -1.2027 -1.2027 -1.1166 -1.1166 -0.9066 -0.9066 -0.8750 -0.8750 -0.8401 -0.8401 0.3588 0.3588 8.6891 8.6891 8.7324 8.7324 9.2616 9.2616 10.2314 10.2314 11.0892 11.0892 12.4702 12.4702 k = 0.1383-0.0798 0.1129 ( 8997 PWs) bands (ev): -39.2383 -39.2383 -39.2186 -39.2186 -2.0586 -2.0586 -2.0521 -2.0521 -1.9664 -1.9664 -1.9264 -1.9264 -1.5033 -1.5033 -1.2113 -1.2113 -1.1126 -1.1126 -0.9055 -0.9055 -0.8777 -0.8777 -0.8399 -0.8399 0.3974 0.3974 8.5610 8.5610 8.6042 8.6042 9.1064 9.1064 10.1953 10.1953 10.9860 10.9860 12.5327 12.5327 k = 0.1489-0.0860 0.1216 ( 9005 PWs) bands (ev): -39.2382 -39.2382 -39.2187 -39.2187 -2.0594 -2.0594 -2.0522 -2.0522 -1.9683 -1.9683 -1.9229 -1.9229 -1.4959 -1.4959 -1.2201 -1.2201 -1.1084 -1.1084 -0.9041 -0.9041 -0.8804 -0.8804 -0.8400 -0.8400 0.4389 0.4389 8.4355 8.4355 8.4790 8.4790 8.9464 8.9464 10.1587 10.1587 10.8862 10.8862 12.5891 12.5891 k = 0.1596-0.0921 0.1303 ( 8993 PWs) bands (ev): -39.2380 -39.2380 -39.2189 -39.2189 -2.0602 -2.0602 -2.0523 -2.0523 -1.9703 -1.9703 -1.9194 -1.9194 -1.4882 -1.4882 -1.2290 -1.2290 -1.1042 -1.1042 -0.9026 -0.9026 -0.8831 -0.8831 -0.8405 -0.8405 0.4834 0.4834 8.3125 8.3125 8.3566 8.3566 8.7824 8.7824 10.1219 10.1219 10.7904 10.7904 12.6469 12.6469 k = 0.1702-0.0983 0.1390 ( 8977 PWs) bands (ev): -39.2378 -39.2378 -39.2191 -39.2191 -2.0608 -2.0608 -2.0524 -2.0524 -1.9724 -1.9724 -1.9158 -1.9158 -1.4801 -1.4801 -1.2380 -1.2380 -1.0999 -1.0999 -0.9011 -0.9011 -0.8857 -0.8857 -0.8411 -0.8411 0.5308 0.5308 8.1920 8.1920 8.2372 8.2372 8.6151 8.6151 10.0851 10.0851 10.6990 10.6990 12.7075 12.7075 k = 0.1809-0.1044 0.1477 ( 8993 PWs) bands (ev): -39.2376 -39.2376 -39.2193 -39.2193 -2.0613 -2.0613 -2.0525 -2.0525 -1.9745 -1.9745 -1.9123 -1.9123 -1.4718 -1.4717 -1.2469 -1.2469 -1.0958 -1.0958 -0.8996 -0.8996 -0.8882 -0.8882 -0.8420 -0.8420 0.5812 0.5812 8.0736 8.0736 8.1208 8.1208 8.4453 8.4453 10.0485 10.0485 10.6121 10.6121 12.7711 12.7711 k = 0.1915-0.1106 0.1564 ( 8985 PWs) bands (ev): -39.2374 -39.2374 -39.2195 -39.2195 -2.0617 -2.0617 -2.0525 -2.0525 -1.9767 -1.9766 -1.9088 -1.9088 -1.4632 -1.4632 -1.2558 -1.2558 -1.0917 -1.0917 -0.8984 -0.8984 -0.8904 -0.8904 -0.8428 -0.8428 0.6346 0.6346 7.9569 7.9569 8.0075 8.0075 8.2742 8.2742 10.0123 10.0123 10.5297 10.5297 12.8381 12.8381 k = 0.2021-0.1167 0.1650 ( 8985 PWs) bands (ev): -39.2372 -39.2372 -39.2197 -39.2197 -2.0619 -2.0619 -2.0525 -2.0525 -1.9789 -1.9788 -1.9054 -1.9054 -1.4543 -1.4543 -1.2645 -1.2645 -1.0880 -1.0880 -0.8975 -0.8975 -0.8924 -0.8924 -0.8435 -0.8435 0.6908 0.6908 7.8410 7.8410 7.8973 7.8973 8.1033 8.1033 9.9767 9.9767 10.4517 10.4517 12.9084 12.9084 k = 0.2128-0.1228 0.1737 ( 8993 PWs) bands (ev): -39.2370 -39.2370 -39.2199 -39.2199 -2.0619 -2.0619 -2.0525 -2.0525 -1.9811 -1.9811 -1.9021 -1.9021 -1.4453 -1.4453 -1.2730 -1.2730 -1.0846 -1.0845 -0.8972 -0.8972 -0.8939 -0.8939 -0.8438 -0.8438 0.7500 0.7500 7.7235 7.7235 7.7903 7.7903 7.9354 7.9354 9.9417 9.9417 10.3780 10.3780 12.9822 12.9822 k = 0.2234-0.1290 0.1824 ( 8997 PWs) bands (ev): -39.2368 -39.2368 -39.2201 -39.2201 -2.0617 -2.0617 -2.0524 -2.0524 -1.9834 -1.9833 -1.8990 -1.8990 -1.4361 -1.4361 -1.2812 -1.2812 -1.0816 -1.0816 -0.8976 -0.8976 -0.8950 -0.8950 -0.8437 -0.8436 0.8120 0.8120 7.5994 7.5994 7.6865 7.6865 7.7761 7.7761 9.9076 9.9076 10.3083 10.3083 13.0594 13.0594 k = 0.2340-0.1351 0.1911 ( 8996 PWs) bands (ev): -39.2365 -39.2365 -39.2204 -39.2204 -2.0613 -2.0613 -2.0524 -2.0523 -1.9856 -1.9856 -1.8961 -1.8961 -1.4268 -1.4268 -1.2890 -1.2890 -1.0792 -1.0792 -0.8990 -0.8990 -0.8955 -0.8955 -0.8429 -0.8429 0.8769 0.8769 7.4612 7.4612 7.5859 7.5859 7.6334 7.6334 9.8744 9.8744 10.2426 10.2426 13.1400 13.1400 k = 0.2447-0.1413 0.1998 ( 9020 PWs) bands (ev): -39.2363 -39.2363 -39.2206 -39.2206 -2.0606 -2.0606 -2.0522 -2.0522 -1.9879 -1.9879 -1.8935 -1.8935 -1.4174 -1.4173 -1.2964 -1.2964 -1.0775 -1.0775 -0.9013 -0.9013 -0.8953 -0.8953 -0.8414 -0.8414 0.9447 0.9447 7.3057 7.3057 7.4887 7.4887 7.5111 7.5111 9.8422 9.8422 10.1806 10.1806 13.2241 13.2241 k = 0.2553-0.1474 0.2085 ( 9012 PWs) bands (ev): -39.2360 -39.2360 -39.2209 -39.2209 -2.0597 -2.0597 -2.0521 -2.0521 -1.9903 -1.9903 -1.8912 -1.8912 -1.4078 -1.4078 -1.3034 -1.3034 -1.0765 -1.0765 -0.9045 -0.9045 -0.8944 -0.8944 -0.8393 -0.8393 1.0154 1.0154 7.1384 7.1384 7.3949 7.3949 7.4039 7.4039 9.8111 9.8111 10.1221 10.1221 13.3115 13.3115 k = 0.2660-0.1536 0.2172 ( 9004 PWs) bands (ev): -39.2357 -39.2357 -39.2211 -39.2211 -2.0585 -2.0585 -2.0519 -2.0519 -1.9926 -1.9926 -1.8892 -1.8892 -1.3982 -1.3982 -1.3098 -1.3098 -1.0762 -1.0762 -0.9087 -0.9087 -0.8927 -0.8927 -0.8366 -0.8366 1.0889 1.0889 6.9652 6.9652 7.3045 7.3045 7.3063 7.3063 9.7812 9.7812 10.0669 10.0669 13.4023 13.4023 k = 0.2766-0.1597 0.2258 ( 9012 PWs) bands (ev): -39.2355 -39.2355 -39.2214 -39.2214 -2.0571 -2.0571 -2.0517 -2.0517 -1.9949 -1.9949 -1.8877 -1.8877 -1.3886 -1.3886 -1.3157 -1.3157 -1.0768 -1.0768 -0.9136 -0.9136 -0.8903 -0.8903 -0.8334 -0.8334 1.1653 1.1653 6.7896 6.7896 7.2153 7.2153 7.2176 7.2176 9.7525 9.7525 10.0150 10.0150 13.4965 13.4965 k = 0.2872-0.1658 0.2345 ( 9016 PWs) bands (ev): -39.2352 -39.2352 -39.2217 -39.2217 -2.0553 -2.0553 -2.0515 -2.0515 -1.9972 -1.9972 -1.8865 -1.8865 -1.3789 -1.3789 -1.3209 -1.3209 -1.0781 -1.0781 -0.9191 -0.9191 -0.8871 -0.8871 -0.8299 -0.8299 1.2445 1.2445 6.6132 6.6132 7.1295 7.1295 7.1342 7.1342 9.7251 9.7251 9.9662 9.9662 13.5939 13.5939 k = 0.2979-0.1720 0.2432 ( 9000 PWs) bands (ev): -39.2349 -39.2349 -39.2220 -39.2220 -2.0532 -2.0532 -2.0512 -2.0512 -1.9996 -1.9996 -1.8859 -1.8859 -1.3694 -1.3693 -1.3254 -1.3254 -1.0802 -1.0802 -0.9253 -0.9253 -0.8833 -0.8832 -0.8262 -0.8262 1.3266 1.3266 6.4368 6.4368 7.0482 7.0482 7.0545 7.0545 9.6990 9.6990 9.9202 9.9202 13.6947 13.6947 k = 0.3085-0.1781 0.2519 ( 8996 PWs) bands (ev): -39.2346 -39.2346 -39.2223 -39.2223 -2.0510 -2.0510 -2.0509 -2.0509 -2.0019 -2.0019 -1.8857 -1.8857 -1.3598 -1.3598 -1.3293 -1.3293 -1.0829 -1.0829 -0.9319 -0.9319 -0.8788 -0.8788 -0.8223 -0.8223 1.4115 1.4115 6.2611 6.2611 6.9712 6.9712 6.9783 6.9783 9.6742 9.6742 9.8771 9.8771 13.7988 13.7988 k = 0.3191-0.1843 0.2606 ( 8996 PWs) bands (ev): -39.2343 -39.2343 -39.2226 -39.2226 -2.0506 -2.0506 -2.0482 -2.0482 -2.0041 -2.0041 -1.8861 -1.8861 -1.3504 -1.3504 -1.3324 -1.3324 -1.0861 -1.0861 -0.9390 -0.9390 -0.8737 -0.8737 -0.8183 -0.8183 1.4992 1.4992 6.0864 6.0864 6.8983 6.8983 6.9059 6.9059 9.6509 9.6509 9.8366 9.8366 13.9060 13.9060 k = 0.3298-0.1904 0.2693 ( 9004 PWs) bands (ev): -39.2340 -39.2340 -39.2229 -39.2229 -2.0502 -2.0502 -2.0452 -2.0452 -2.0064 -2.0064 -1.8870 -1.8870 -1.3412 -1.3412 -1.3348 -1.3348 -1.0898 -1.0898 -0.9465 -0.9465 -0.8683 -0.8683 -0.8144 -0.8144 1.5898 1.5898 5.9130 5.9130 6.8294 6.8294 6.8373 6.8373 9.6289 9.6289 9.7988 9.7988 14.0164 14.0164 k = 0.3404-0.1965 0.2780 ( 8996 PWs) bands (ev): -39.2337 -39.2337 -39.2232 -39.2232 -2.0498 -2.0498 -2.0420 -2.0420 -2.0086 -2.0086 -1.8884 -1.8884 -1.3364 -1.3364 -1.3322 -1.3322 -1.0938 -1.0937 -0.9544 -0.9544 -0.8625 -0.8625 -0.8105 -0.8105 1.6832 1.6832 5.7411 5.7411 6.7646 6.7646 6.7725 6.7725 9.6085 9.6085 9.7634 9.7634 14.1300 14.1300 k = 0.3511-0.2027 0.2866 ( 8988 PWs) bands (ev): -39.2333 -39.2333 -39.2235 -39.2235 -2.0494 -2.0494 -2.0384 -2.0384 -2.0108 -2.0108 -1.8904 -1.8904 -1.3373 -1.3373 -1.3236 -1.3236 -1.0979 -1.0978 -0.9625 -0.9625 -0.8565 -0.8565 -0.8067 -0.8067 1.7794 1.7794 5.5709 5.5709 6.7038 6.7038 6.7115 6.7115 9.5894 9.5894 9.7304 9.7304 14.2467 14.2467 k = 0.3617-0.2088 0.2953 ( 8980 PWs) bands (ev): -39.2330 -39.2330 -39.2238 -39.2238 -2.0489 -2.0489 -2.0346 -2.0346 -2.0128 -2.0128 -1.8930 -1.8930 -1.3374 -1.3374 -1.3153 -1.3153 -1.1020 -1.1019 -0.9709 -0.9709 -0.8504 -0.8504 -0.8031 -0.8031 1.8784 1.8784 5.4026 5.4026 6.6470 6.6470 6.6545 6.6545 9.5719 9.5719 9.6998 9.6998 14.3665 14.3665 k = 0.3723-0.2150 0.3040 ( 8980 PWs) bands (ev): -39.2327 -39.2327 -39.2242 -39.2242 -2.0483 -2.0483 -2.0306 -2.0306 -2.0148 -2.0148 -1.8961 -1.8961 -1.3368 -1.3368 -1.3076 -1.3076 -1.1059 -1.1059 -0.9795 -0.9795 -0.8442 -0.8442 -0.7997 -0.7997 1.9803 1.9803 5.2361 5.2361 6.5943 6.5943 6.6014 6.6014 9.5559 9.5559 9.6714 9.6714 14.4894 14.4894 k = 0.3830-0.2211 0.3127 ( 8968 PWs) bands (ev): -39.2323 -39.2323 -39.2245 -39.2245 -2.0477 -2.0477 -2.0266 -2.0266 -2.0163 -2.0163 -1.8996 -1.8996 -1.3355 -1.3355 -1.3005 -1.3005 -1.1094 -1.1094 -0.9883 -0.9883 -0.8380 -0.8380 -0.7966 -0.7966 2.0849 2.0849 5.0718 5.0718 6.5457 6.5457 6.5524 6.5524 9.5414 9.5414 9.6451 9.6451 14.6152 14.6152 k = 0.3936-0.2273 0.3214 ( 8964 PWs) bands (ev): -39.2320 -39.2320 -39.2248 -39.2248 -2.0470 -2.0470 -2.0235 -2.0235 -2.0167 -2.0167 -1.9037 -1.9037 -1.3335 -1.3335 -1.2942 -1.2942 -1.1125 -1.1124 -0.9973 -0.9973 -0.8320 -0.8320 -0.7938 -0.7938 2.1924 2.1924 4.9096 4.9096 6.5012 6.5012 6.5074 6.5074 9.5285 9.5285 9.6211 9.6211 14.7439 14.7439 k = 0.4043-0.2334 0.3301 ( 8972 PWs) bands (ev): -39.2316 -39.2316 -39.2252 -39.2252 -2.0463 -2.0463 -2.0232 -2.0232 -2.0140 -2.0140 -1.9082 -1.9082 -1.3309 -1.3309 -1.2888 -1.2888 -1.1147 -1.1147 -1.0063 -1.0063 -0.8261 -0.8261 -0.7914 -0.7914 2.3026 2.3026 4.7496 4.7496 6.4608 6.4608 6.4665 6.4665 9.5171 9.5171 9.5991 9.5991 14.8756 14.8756 k = 0.4149-0.2395 0.3388 ( 8960 PWs) bands (ev): -39.2313 -39.2313 -39.2255 -39.2255 -2.0455 -2.0455 -2.0244 -2.0244 -2.0094 -2.0094 -1.9131 -1.9131 -1.3278 -1.3278 -1.2846 -1.2846 -1.1160 -1.1160 -1.0155 -1.0155 -0.8205 -0.8205 -0.7893 -0.7893 2.4156 2.4156 4.5919 4.5919 6.4247 6.4247 6.4298 6.4298 9.5073 9.5073 9.5791 9.5791 15.0102 15.0102 k = 0.4255-0.2457 0.3474 ( 8968 PWs) bands (ev): -39.2309 -39.2309 -39.2259 -39.2259 -2.0447 -2.0447 -2.0261 -2.0260 -2.0041 -2.0041 -1.9183 -1.9183 -1.3242 -1.3242 -1.2815 -1.2815 -1.1163 -1.1163 -1.0247 -1.0247 -0.8152 -0.8151 -0.7876 -0.7876 2.5315 2.5315 4.4365 4.4365 6.3927 6.3927 6.3973 6.3973 9.4991 9.4991 9.5611 9.5611 15.1476 15.1476 k = 0.4362-0.2518 0.3561 ( 8964 PWs) bands (ev): -39.2306 -39.2306 -39.2262 -39.2262 -2.0438 -2.0438 -2.0277 -2.0277 -1.9985 -1.9985 -1.9239 -1.9239 -1.3201 -1.3201 -1.2797 -1.2797 -1.1153 -1.1153 -1.0339 -1.0339 -0.8102 -0.8102 -0.7864 -0.7864 2.6501 2.6501 4.2836 4.2836 6.3650 6.3650 6.3690 6.3690 9.4925 9.4925 9.5450 9.5450 15.2878 15.2878 k = 0.4468-0.2580 0.3648 ( 8964 PWs) bands (ev): -39.2302 -39.2302 -39.2266 -39.2266 -2.0428 -2.0428 -2.0294 -2.0294 -1.9926 -1.9926 -1.9297 -1.9297 -1.3157 -1.3157 -1.2793 -1.2792 -1.1130 -1.1130 -1.0430 -1.0430 -0.8056 -0.8055 -0.7856 -0.7856 2.7714 2.7714 4.1331 4.1331 6.3416 6.3416 6.3449 6.3449 9.4875 9.4875 9.5309 9.5309 15.4307 15.4307 k = 0.4574-0.2641 0.3735 ( 8960 PWs) bands (ev): -39.2298 -39.2298 -39.2269 -39.2269 -2.0418 -2.0418 -2.0310 -2.0310 -1.9865 -1.9865 -1.9357 -1.9357 -1.3111 -1.3111 -1.2800 -1.2800 -1.1095 -1.1095 -1.0520 -1.0520 -0.8014 -0.8013 -0.7854 -0.7853 2.8955 2.8955 3.9852 3.9852 6.3225 6.3225 6.3251 6.3251 9.4842 9.4842 9.5186 9.5186 15.5762 15.5762 k = 0.4681-0.2702 0.3822 ( 8964 PWs) bands (ev): -39.2295 -39.2295 -39.2273 -39.2273 -2.0407 -2.0407 -2.0326 -2.0326 -1.9803 -1.9803 -1.9419 -1.9419 -1.3063 -1.3063 -1.2818 -1.2818 -1.1049 -1.1049 -1.0609 -1.0609 -0.7976 -0.7976 -0.7856 -0.7856 3.0223 3.0223 3.8398 3.8398 6.3076 6.3076 6.3096 6.3096 9.4825 9.4825 9.5081 9.5081 15.7244 15.7244 k = 0.4787-0.2764 0.3909 ( 8968 PWs) bands (ev): -39.2291 -39.2291 -39.2277 -39.2277 -2.0395 -2.0395 -2.0341 -2.0341 -1.9740 -1.9740 -1.9483 -1.9483 -1.3015 -1.3015 -1.2846 -1.2846 -1.0993 -1.0992 -1.0695 -1.0695 -0.7943 -0.7943 -0.7863 -0.7863 3.1519 3.1519 3.6969 3.6969 6.2971 6.2971 6.2985 6.2985 9.4825 9.4825 9.4995 9.4995 15.8752 15.8752 k = 0.4894-0.2825 0.3996 ( 8968 PWs) bands (ev): -39.2288 -39.2288 -39.2280 -39.2280 -2.0383 -2.0383 -2.0356 -2.0356 -1.9676 -1.9676 -1.9547 -1.9547 -1.2968 -1.2967 -1.2882 -1.2881 -1.0927 -1.0927 -1.0777 -1.0777 -0.7916 -0.7916 -0.7875 -0.7875 3.2841 3.2841 3.5567 3.5567 6.2909 6.2909 6.2916 6.2916 9.4841 9.4841 9.4926 9.4926 16.0284 16.0284 k = 0.5000-0.2887 0.4082 ( 8984 PWs) bands (ev): -39.2284 -39.2284 -39.2284 -39.2284 -2.0370 -2.0370 -2.0369 -2.0369 -1.9612 -1.9612 -1.9611 -1.9611 -1.2923 -1.2923 -1.2922 -1.2922 -1.0856 -1.0856 -1.0855 -1.0855 -0.7893 -0.7893 -0.7893 -0.7893 3.4191 3.4191 3.4191 3.4191 6.2891 6.2891 6.2891 6.2891 9.4875 9.4875 9.4875 9.4875 16.1835 16.1835 k = 0.5000-0.2887 0.4082 ( 8984 PWs) bands (ev): -39.2284 -39.2284 -39.2284 -39.2284 -2.0370 -2.0370 -2.0369 -2.0369 -1.9612 -1.9612 -1.9611 -1.9611 -1.2923 -1.2923 -1.2922 -1.2922 -1.0856 -1.0856 -1.0855 -1.0855 -0.7893 -0.7893 -0.7893 -0.7893 3.4191 3.4191 3.4191 3.4191 6.2891 6.2891 6.2891 6.2891 9.4875 9.4875 9.4875 9.4875 16.1835 16.1835 k = 0.5000-0.2766 0.4168 ( 8980 PWs) bands (ev): -39.2284 -39.2284 -39.2284 -39.2284 -2.0390 -2.0389 -2.0359 -2.0358 -1.9616 -1.9615 -1.9597 -1.9596 -1.2962 -1.2962 -1.2883 -1.2883 -1.0896 -1.0895 -1.0820 -1.0819 -0.7944 -0.7943 -0.7840 -0.7840 3.4185 3.4185 3.4208 3.4208 6.2831 6.2831 6.2893 6.2893 9.4920 9.4920 9.4950 9.4950 16.1704 16.1712 k = 0.5000-0.2646 0.4253 ( 8968 PWs) bands (ev): -39.2284 -39.2284 -39.2284 -39.2284 -2.0417 -2.0417 -2.0357 -2.0356 -1.9611 -1.9610 -1.9572 -1.9571 -1.3001 -1.3001 -1.2844 -1.2843 -1.0941 -1.0940 -1.0789 -1.0788 -0.7991 -0.7991 -0.7785 -0.7784 3.4190 3.4190 3.4235 3.4235 6.2715 6.2715 6.2838 6.2838 9.5085 9.5085 9.5144 9.5144 16.1294 16.1302 k = 0.5000-0.2526 0.4338 ( 8960 PWs) bands (ev): -39.2284 -39.2284 -39.2284 -39.2284 -2.0452 -2.0451 -2.0363 -2.0362 -1.9597 -1.9596 -1.9536 -1.9536 -1.3041 -1.3041 -1.2804 -1.2804 -1.0989 -1.0988 -1.0764 -1.0763 -0.8035 -0.8035 -0.7728 -0.7728 3.4205 3.4206 3.4274 3.4274 6.2544 6.2544 6.2727 6.2727 9.5367 9.5367 9.5454 9.5454 16.0507 16.0509 k = 0.5000-0.2406 0.4423 ( 8956 PWs) bands (ev): -39.2284 -39.2284 -39.2284 -39.2284 -2.0490 -2.0489 -2.0375 -2.0375 -1.9577 -1.9576 -1.9493 -1.9492 -1.3081 -1.3080 -1.2764 -1.2763 -1.1039 -1.1038 -1.0746 -1.0745 -0.8075 -0.8074 -0.7671 -0.7671 3.4231 3.4232 3.4322 3.4322 6.2324 6.2324 6.2565 6.2565 9.5763 9.5763 9.5876 9.5876 15.9353 15.9360 k = 0.5000-0.2285 0.4508 ( 8962 PWs) bands (ev): -39.2284 -39.2284 -39.2284 -39.2284 -2.0532 -2.0531 -2.0393 -2.0393 -1.9552 -1.9551 -1.9443 -1.9442 -1.3121 -1.3120 -1.2723 -1.2723 -1.1091 -1.1090 -1.0735 -1.0734 -0.8110 -0.8109 -0.7613 -0.7613 3.4267 3.4267 3.4381 3.4381 6.2060 6.2060 6.2356 6.2356 9.6267 9.6267 9.6404 9.6404 15.7926 15.7929 k = 0.5000-0.2165 0.4593 ( 8966 PWs) bands (ev): -39.2284 -39.2284 -39.2284 -39.2284 -2.0576 -2.0575 -2.0415 -2.0414 -1.9523 -1.9522 -1.9387 -1.9386 -1.3161 -1.3161 -1.2682 -1.2681 -1.1144 -1.1143 -1.0732 -1.0731 -0.8140 -0.8139 -0.7556 -0.7556 3.4312 3.4312 3.4449 3.4449 6.1757 6.1757 6.2107 6.2107 9.6875 9.6875 9.7033 9.7033 15.6315 15.6317 k = 0.5000-0.2045 0.4678 ( 8954 PWs) bands (ev): -39.2284 -39.2284 -39.2284 -39.2284 -2.0621 -2.0620 -2.0440 -2.0439 -1.9492 -1.9490 -1.9328 -1.9327 -1.3202 -1.3201 -1.2639 -1.2639 -1.1197 -1.1196 -1.0736 -1.0735 -0.8165 -0.8165 -0.7499 -0.7499 3.4366 3.4366 3.4525 3.4525 6.1424 6.1424 6.1824 6.1824 9.7579 9.7579 9.7756 9.7756 15.4579 15.4581 k = 0.5000-0.1925 0.4763 ( 8956 PWs) bands (ev): -39.2284 -39.2284 -39.2284 -39.2284 -2.0666 -2.0665 -2.0466 -2.0465 -1.9459 -1.9458 -1.9266 -1.9265 -1.3243 -1.3242 -1.2596 -1.2596 -1.1250 -1.1249 -1.0748 -1.0747 -0.8185 -0.8185 -0.7444 -0.7443 3.4427 3.4428 3.4609 3.4610 6.1066 6.1066 6.1513 6.1513 9.8373 9.8373 9.8565 9.8565 15.2762 15.2765 k = 0.5000-0.1804 0.4848 ( 8948 PWs) bands (ev): -39.2284 -39.2284 -39.2284 -39.2284 -2.0710 -2.0709 -2.0493 -2.0492 -1.9426 -1.9424 -1.9202 -1.9201 -1.3284 -1.3283 -1.2552 -1.2552 -1.1302 -1.1301 -1.0767 -1.0766 -0.8201 -0.8200 -0.7390 -0.7389 3.4496 3.4496 3.4700 3.4701 6.0690 6.0690 6.1183 6.1183 9.9250 9.9250 9.9455 9.9455 15.0893 15.0893 k = 0.5000-0.1684 0.4933 ( 8958 PWs) bands (ev): -39.2284 -39.2284 -39.2284 -39.2284 -2.0753 -2.0752 -2.0520 -2.0519 -1.9392 -1.9390 -1.9138 -1.9137 -1.3325 -1.3324 -1.2507 -1.2507 -1.1353 -1.1352 -1.0793 -1.0792 -0.8212 -0.8211 -0.7337 -0.7337 3.4570 3.4570 3.4797 3.4797 6.0304 6.0304 6.0839 6.0839 10.0202 10.0202 10.0417 10.0417 14.8993 14.8994 k = 0.5000-0.1564 0.5018 ( 8956 PWs) bands (ev): -39.2284 -39.2284 -39.2284 -39.2284 -2.0794 -2.0793 -2.0547 -2.0546 -1.9359 -1.9357 -1.9075 -1.9073 -1.3366 -1.3365 -1.2461 -1.2461 -1.1401 -1.1400 -1.0826 -1.0825 -0.8219 -0.8218 -0.7288 -0.7288 3.4648 3.4648 3.4897 3.4898 5.9914 5.9914 6.0488 6.0488 10.1222 10.1222 10.1446 10.1446 14.7078 14.7078 k = 0.5000-0.1443 0.5103 ( 8952 PWs) bands (ev): -39.2284 -39.2284 -39.2284 -39.2284 -2.0833 -2.0832 -2.0573 -2.0572 -1.9327 -1.9325 -1.9012 -1.9011 -1.3406 -1.3406 -1.2414 -1.2414 -1.1448 -1.1447 -1.0864 -1.0864 -0.8222 -0.8221 -0.7240 -0.7240 3.4729 3.4730 3.5001 3.5001 5.9526 5.9526 6.0137 6.0137 10.2304 10.2304 10.2534 10.2534 14.5161 14.5161 k = 0.5000-0.1323 0.5188 ( 8948 PWs) bands (ev): -39.2284 -39.2284 -39.2284 -39.2284 -2.0869 -2.0868 -2.0598 -2.0597 -1.9296 -1.9294 -1.8951 -1.8950 -1.3445 -1.3445 -1.2366 -1.2366 -1.1491 -1.1490 -1.0908 -1.0907 -0.8222 -0.8222 -0.7196 -0.7196 3.4813 3.4813 3.5106 3.5106 5.9146 5.9146 5.9791 5.9791 10.3441 10.3441 10.3674 10.3675 14.3254 14.3254 k = 0.5000-0.1203 0.5273 ( 8944 PWs) bands (ev): -39.2284 -39.2284 -39.2284 -39.2284 -2.0903 -2.0902 -2.0621 -2.0620 -1.9266 -1.9265 -1.8893 -1.8892 -1.3484 -1.3483 -1.2317 -1.2316 -1.1532 -1.1531 -1.0956 -1.0956 -0.8220 -0.8219 -0.7155 -0.7155 3.4896 3.4897 3.5210 3.5210 5.8779 5.8779 5.9456 5.9456 10.4624 10.4624 10.4860 10.4860 14.1365 14.1365 k = 0.5000-0.1083 0.5358 ( 8944 PWs) bands (ev): -39.2284 -39.2284 -39.2284 -39.2284 -2.0934 -2.0933 -2.0643 -2.0642 -1.9239 -1.9237 -1.8838 -1.8836 -1.3520 -1.3520 -1.2266 -1.2266 -1.1569 -1.1568 -1.1008 -1.1007 -0.8216 -0.8216 -0.7117 -0.7117 3.4979 3.4979 3.5312 3.5312 5.8430 5.8430 5.9136 5.9136 10.5844 10.5844 10.6081 10.6081 13.9505 13.9505 k = 0.5000-0.0962 0.5443 ( 8948 PWs) bands (ev): -39.2284 -39.2284 -39.2284 -39.2284 -2.0963 -2.0962 -2.0663 -2.0662 -1.9214 -1.9212 -1.8786 -1.8785 -1.3555 -1.3555 -1.2215 -1.2215 -1.1603 -1.1601 -1.1062 -1.1062 -0.8211 -0.8210 -0.7082 -0.7082 3.5058 3.5058 3.5410 3.5410 5.8104 5.8104 5.8838 5.8838 10.7093 10.7093 10.7330 10.7330 13.7684 13.7684 k = 0.5000-0.0842 0.5528 ( 8948 PWs) bands (ev): -39.2284 -39.2284 -39.2284 -39.2284 -2.0988 -2.0987 -2.0681 -2.0680 -1.9191 -1.9189 -1.8739 -1.8738 -1.3587 -1.3587 -1.2164 -1.2164 -1.1633 -1.1631 -1.1118 -1.1118 -0.8205 -0.8205 -0.7052 -0.7051 3.5133 3.5133 3.5503 3.5503 5.7806 5.7806 5.8564 5.8564 10.8358 10.8358 10.8593 10.8593 13.5914 13.5914 k = 0.5000-0.0722 0.5613 ( 8946 PWs) bands (ev): -39.2284 -39.2284 -39.2284 -39.2284 -2.1010 -2.1009 -2.0697 -2.0696 -1.9171 -1.9169 -1.8697 -1.8696 -1.3616 -1.3616 -1.2113 -1.2112 -1.1659 -1.1658 -1.1175 -1.1174 -0.8199 -0.8198 -0.7024 -0.7024 3.5201 3.5202 3.5587 3.5587 5.7538 5.7538 5.8318 5.8318 10.9622 10.9622 10.9854 10.9854 13.4213 13.4213 k = 0.5000-0.0601 0.5698 ( 8944 PWs) bands (ev): -39.2284 -39.2284 -39.2284 -39.2284 -2.1029 -2.1028 -2.0710 -2.0709 -1.9153 -1.9152 -1.8660 -1.8659 -1.3642 -1.3642 -1.2063 -1.2062 -1.1681 -1.1680 -1.1230 -1.1229 -0.8193 -0.8193 -0.7001 -0.7001 3.5262 3.5263 3.5662 3.5663 5.7306 5.7306 5.8105 5.8105 11.0863 11.0863 11.1090 11.1090 13.2604 13.2604 k = 0.5000-0.0481 0.5784 ( 8944 PWs) bands (ev): -39.2284 -39.2284 -39.2284 -39.2284 -2.1044 -2.1043 -2.0721 -2.0720 -1.9139 -1.9137 -1.8630 -1.8628 -1.3664 -1.3664 -1.2016 -1.2014 -1.1699 -1.1698 -1.1283 -1.1282 -0.8188 -0.8187 -0.6982 -0.6982 3.5315 3.5315 3.5726 3.5727 5.7112 5.7112 5.7926 5.7926 11.2045 11.2045 11.2268 11.2268 13.1119 13.1119 k = 0.5000-0.0361 0.5869 ( 8936 PWs) bands (ev): -39.2284 -39.2284 -39.2284 -39.2284 -2.1057 -2.1055 -2.0730 -2.0729 -1.9128 -1.9126 -1.8605 -1.8604 -1.3681 -1.3681 -1.1972 -1.1971 -1.1714 -1.1713 -1.1331 -1.1330 -0.8184 -0.8183 -0.6968 -0.6967 3.5356 3.5357 3.5778 3.5778 5.6957 5.6958 5.7784 5.7784 11.3118 11.3118 11.3335 11.3335 12.9812 12.9812 k = 0.5000-0.0241 0.5954 ( 8932 PWs) bands (ev): -39.2284 -39.2284 -39.2284 -39.2284 -2.1065 -2.1064 -2.0736 -2.0735 -1.9120 -1.9118 -1.8588 -1.8586 -1.3694 -1.3694 -1.1936 -1.1935 -1.1724 -1.1723 -1.1370 -1.1369 -0.8180 -0.8180 -0.6957 -0.6957 3.5387 3.5387 3.5815 3.5816 5.6846 5.6846 5.7682 5.7682 11.4005 11.4005 11.4218 11.4218 12.8757 12.8757 k = 0.5000-0.0120 0.6039 ( 8940 PWs) bands (ev): -39.2284 -39.2284 -39.2284 -39.2284 -2.1070 -2.1069 -2.0740 -2.0739 -1.9115 -1.9113 -1.8577 -1.8575 -1.3701 -1.3701 -1.1912 -1.1910 -1.1730 -1.1729 -1.1397 -1.1395 -0.8178 -0.8178 -0.6950 -0.6950 3.5406 3.5406 3.5838 3.5839 5.6778 5.6778 5.7619 5.7620 11.4606 11.4606 11.4815 11.4815 12.8056 12.8056 k = 0.5000 0.0000 0.6124 ( 8940 PWs) bands (ev): -39.2284 -39.2284 -39.2284 -39.2284 -2.1072 -2.1071 -2.0741 -2.0740 -1.9113 -1.9111 -1.8573 -1.8572 -1.3704 -1.3704 -1.1903 -1.1902 -1.1732 -1.1731 -1.1406 -1.1405 -0.8178 -0.8177 -0.6948 -0.6948 3.5412 3.5412 3.5846 3.5846 5.6756 5.6756 5.7599 5.7599 11.4821 11.4821 11.5028 11.5029 12.7807 12.7807 k = 0.5000 0.0000 0.6124 ( 8940 PWs) bands (ev): -39.2284 -39.2284 -39.2284 -39.2284 -2.1072 -2.1071 -2.0741 -2.0740 -1.9113 -1.9111 -1.8573 -1.8572 -1.3704 -1.3704 -1.1903 -1.1902 -1.1732 -1.1731 -1.1406 -1.1405 -0.8178 -0.8177 -0.6948 -0.6948 3.5412 3.5412 3.5846 3.5846 5.6756 5.6756 5.7599 5.7599 11.4821 11.4821 11.5028 11.5029 12.7807 12.7807 k = 0.4926 0.0127 0.6124 ( 8940 PWs) bands (ev): -39.2286 -39.2286 -39.2282 -39.2282 -2.1071 -2.1070 -2.0740 -2.0739 -1.9115 -1.9113 -1.8575 -1.8573 -1.3703 -1.3703 -1.1908 -1.1907 -1.1735 -1.1734 -1.1396 -1.1394 -0.8178 -0.8178 -0.6950 -0.6950 3.5077 3.5077 3.6167 3.6167 5.6612 5.6612 5.7799 5.7799 11.4285 11.4285 11.5335 11.5335 12.7647 12.7647 k = 0.4853 0.0255 0.6124 ( 8936 PWs) bands (ev): -39.2287 -39.2287 -39.2280 -39.2280 -2.1068 -2.1067 -2.0737 -2.0736 -1.9121 -1.9120 -1.8578 -1.8577 -1.3701 -1.3701 -1.1919 -1.1917 -1.1747 -1.1746 -1.1366 -1.1365 -0.8181 -0.8180 -0.6955 -0.6955 3.4623 3.4623 3.6576 3.6576 5.6322 5.6322 5.8255 5.8255 11.3309 11.3309 11.5659 11.5659 12.7816 12.7816 k = 0.4779 0.0382 0.6124 ( 8938 PWs) bands (ev): -39.2289 -39.2289 -39.2279 -39.2279 -2.1064 -2.1063 -2.0731 -2.0731 -1.9132 -1.9130 -1.8584 -1.8583 -1.3696 -1.3696 -1.1932 -1.1930 -1.1767 -1.1766 -1.1323 -1.1321 -0.8184 -0.8183 -0.6962 -0.6962 3.4188 3.4188 3.6940 3.6940 5.6007 5.6007 5.8843 5.8843 11.2068 11.2068 11.5922 11.5922 12.8311 12.8311 k = 0.4706 0.0509 0.6124 ( 8946 PWs) bands (ev): -39.2290 -39.2290 -39.2277 -39.2277 -2.1058 -2.1057 -2.0723 -2.0722 -1.9147 -1.9145 -1.8592 -1.8590 -1.3691 -1.3691 -1.1946 -1.1944 -1.1792 -1.1791 -1.1271 -1.1269 -0.8189 -0.8188 -0.6972 -0.6972 3.3781 3.3781 3.7250 3.7250 5.5697 5.5697 5.9523 5.9523 11.0657 11.0657 11.6127 11.6127 12.9045 12.9045 k = 0.4632 0.0637 0.6124 ( 8950 PWs) bands (ev): -39.2292 -39.2292 -39.2276 -39.2276 -2.1052 -2.1051 -2.0712 -2.0711 -1.9167 -1.9165 -1.8600 -1.8598 -1.3683 -1.3683 -1.1960 -1.1958 -1.1819 -1.1817 -1.1214 -1.1213 -0.8195 -0.8194 -0.6984 -0.6984 3.3404 3.3405 3.7510 3.7510 5.5403 5.5403 6.0275 6.0275 10.9150 10.9150 11.6282 11.6282 12.9950 12.9950 k = 0.4559 0.0764 0.6124 ( 8948 PWs) bands (ev): -39.2293 -39.2293 -39.2275 -39.2275 -2.1045 -2.1044 -2.0697 -2.0696 -1.9191 -1.9189 -1.8608 -1.8607 -1.3674 -1.3674 -1.1975 -1.1973 -1.1844 -1.1842 -1.1156 -1.1155 -0.8202 -0.8201 -0.6997 -0.6997 3.3059 3.3059 3.7725 3.7725 5.5128 5.5128 6.1086 6.1086 10.7603 10.7603 11.6396 11.6396 13.0976 13.0976 k = 0.4485 0.0891 0.6124 ( 8948 PWs) bands (ev): -39.2294 -39.2294 -39.2274 -39.2274 -2.1039 -2.1038 -2.0679 -2.0678 -1.9219 -1.9218 -1.8617 -1.8615 -1.3664 -1.3664 -1.1991 -1.1990 -1.1866 -1.1865 -1.1098 -1.1097 -0.8210 -0.8209 -0.7011 -0.7011 3.2743 3.2743 3.7899 3.7899 5.4874 5.4874 6.1939 6.1939 10.6054 10.6054 11.6477 11.6477 13.2092 13.2092 k = 0.4412 0.1019 0.6124 ( 8942 PWs) bands (ev): -39.2295 -39.2295 -39.2273 -39.2273 -2.1033 -2.1032 -2.0658 -2.0657 -1.9251 -1.9250 -1.8624 -1.8623 -1.3653 -1.3653 -1.2009 -1.2008 -1.1884 -1.1883 -1.1042 -1.1041 -0.8219 -0.8218 -0.7025 -0.7025 3.2459 3.2459 3.8038 3.8038 5.4642 5.4642 6.2818 6.2818 10.4535 10.4535 11.6532 11.6532 13.3276 13.3276 k = 0.4338 0.1146 0.6124 ( 8950 PWs) bands (ev): -39.2296 -39.2296 -39.2272 -39.2272 -2.1028 -2.1027 -2.0634 -2.0633 -1.9286 -1.9285 -1.8632 -1.8630 -1.3642 -1.3642 -1.2028 -1.2027 -1.1897 -1.1897 -1.0988 -1.0988 -0.8228 -0.8227 -0.7040 -0.7040 3.2205 3.2205 3.8149 3.8149 5.4433 5.4433 6.3705 6.3705 10.3069 10.3069 11.6568 11.6568 13.4509 13.4509 k = 0.4265 0.1274 0.6124 ( 8948 PWs) bands (ev): -39.2297 -39.2297 -39.2271 -39.2271 -2.1024 -2.1023 -2.0608 -2.0608 -1.9323 -1.9321 -1.8638 -1.8636 -1.3630 -1.3630 -1.2048 -1.2048 -1.1907 -1.1907 -1.0939 -1.0938 -0.8237 -0.8236 -0.7054 -0.7054 3.1981 3.1981 3.8234 3.8234 5.4248 5.4248 6.4580 6.4580 10.1683 10.1683 11.6589 11.6589 13.5780 13.5780 k = 0.4191 0.1401 0.6124 ( 8957 PWs) bands (ev): -39.2298 -39.2298 -39.2270 -39.2270 -2.1020 -2.1019 -2.0582 -2.0581 -1.9360 -1.9359 -1.8643 -1.8642 -1.3619 -1.3619 -1.2069 -1.2068 -1.1914 -1.1914 -1.0894 -1.0893 -0.8246 -0.8245 -0.7067 -0.7067 3.1787 3.1787 3.8300 3.8300 5.4086 5.4086 6.5421 6.5421 10.0398 10.0398 11.6599 11.6599 13.7074 13.7074 k = 0.4118 0.1528 0.6124 ( 8953 PWs) bands (ev): -39.2298 -39.2298 -39.2269 -39.2269 -2.1017 -2.1017 -2.0555 -2.0554 -1.9396 -1.9395 -1.8647 -1.8646 -1.3609 -1.3608 -1.2087 -1.2086 -1.1918 -1.1918 -1.0854 -1.0853 -0.8254 -0.8254 -0.7078 -0.7078 3.1624 3.1624 3.8350 3.8350 5.3949 5.3949 6.6204 6.6204 9.9242 9.9242 11.6604 11.6604 13.8376 13.8376 k = 0.4044 0.1656 0.6124 ( 8961 PWs) bands (ev): -39.2299 -39.2299 -39.2269 -39.2269 -2.1015 -2.1014 -2.0530 -2.0529 -1.9429 -1.9428 -1.8651 -1.8649 -1.3600 -1.3599 -1.2104 -1.2102 -1.1921 -1.1921 -1.0820 -1.0820 -0.8262 -0.8261 -0.7088 -0.7088 3.1490 3.1490 3.8386 3.8386 5.3836 5.3836 6.6901 6.6901 9.8240 9.8240 11.6604 11.6604 13.9663 13.9663 k = 0.3971 0.1783 0.6124 ( 8960 PWs) bands (ev): -39.2299 -39.2299 -39.2269 -39.2269 -2.1014 -2.1013 -2.0508 -2.0507 -1.9458 -1.9457 -1.8653 -1.8652 -1.3592 -1.3591 -1.2117 -1.2116 -1.1923 -1.1923 -1.0793 -1.0793 -0.8268 -0.8268 -0.7097 -0.7096 3.1387 3.1387 3.8412 3.8412 5.3748 5.3748 6.7484 6.7484 9.7420 9.7420 11.6602 11.6602 14.0898 14.0898 k = 0.3897 0.1910 0.6124 ( 8966 PWs) bands (ev): -39.2300 -39.2300 -39.2268 -39.2268 -2.1013 -2.1012 -2.0490 -2.0490 -1.9480 -1.9479 -1.8655 -1.8654 -1.3586 -1.3586 -1.2127 -1.2126 -1.1924 -1.1924 -1.0774 -1.0774 -0.8273 -0.8272 -0.7102 -0.7102 3.1313 3.1313 3.8429 3.8429 5.3685 5.3685 6.7925 6.7925 9.6810 9.6810 11.6600 11.6600 14.2008 14.2008 k = 0.3824 0.2038 0.6124 ( 8964 PWs) bands (ev): -39.2300 -39.2300 -39.2268 -39.2268 -2.1012 -2.1011 -2.0479 -2.0479 -1.9494 -1.9494 -1.8656 -1.8655 -1.3583 -1.3582 -1.2133 -1.2132 -1.1925 -1.1925 -1.0762 -1.0762 -0.8276 -0.8275 -0.7106 -0.7106 3.1268 3.1268 3.8439 3.8439 5.3648 5.3648 6.8201 6.8201 9.6433 9.6433 11.6598 11.6598 14.2847 14.2847 k = 0.3750 0.2165 0.6124 ( 8970 PWs) bands (ev): -39.2300 -39.2300 -39.2268 -39.2268 -2.1012 -2.1011 -2.0476 -2.0475 -1.9499 -1.9498 -1.8656 -1.8655 -1.3581 -1.3581 -1.2135 -1.2134 -1.1925 -1.1925 -1.0758 -1.0758 -0.8277 -0.8276 -0.7107 -0.7107 3.1253 3.1253 3.8442 3.8442 5.3635 5.3635 6.8295 6.8295 9.6306 9.6306 11.6597 11.6597 14.3183 14.3187 k = 0.3750 0.2165 0.6124 ( 8970 PWs) bands (ev): -39.2300 -39.2300 -39.2268 -39.2268 -2.1012 -2.1011 -2.0476 -2.0475 -1.9499 -1.9498 -1.8656 -1.8655 -1.3581 -1.3581 -1.2135 -1.2134 -1.1925 -1.1925 -1.0758 -1.0758 -0.8277 -0.8276 -0.7107 -0.7107 3.1253 3.1253 3.8442 3.8442 5.3635 5.3635 6.8295 6.8295 9.6306 9.6306 11.6597 11.6597 14.3182 14.3186 k = 0.3675 0.2122 0.6001 ( 8966 PWs) bands (ev): -39.2302 -39.2302 -39.2266 -39.2266 -2.1025 -2.1024 -2.0490 -2.0490 -1.9488 -1.9488 -1.8622 -1.8621 -1.3615 -1.3614 -1.2125 -1.2123 -1.1938 -1.1937 -1.0774 -1.0774 -0.8274 -0.8274 -0.7095 -0.7095 3.0679 3.0679 3.8980 3.8980 5.3393 5.3393 6.8944 6.8944 9.6487 9.6487 11.8490 11.8490 14.1790 14.1795 k = 0.3600 0.2078 0.5879 ( 8962 PWs) bands (ev): -39.2304 -39.2304 -39.2264 -39.2264 -2.1034 -2.1033 -2.0505 -2.0505 -1.9478 -1.9477 -1.8594 -1.8593 -1.3647 -1.3646 -1.2162 -1.2160 -1.1897 -1.1896 -1.0791 -1.0791 -0.8271 -0.8271 -0.7088 -0.7088 3.0046 3.0046 3.9553 3.9553 5.3245 5.3245 6.9627 6.9627 9.6680 9.6680 12.0370 12.0370 14.0412 14.0425 k = 0.3525 0.2035 0.5756 ( 8954 PWs) bands (ev): -39.2306 -39.2306 -39.2262 -39.2262 -2.1038 -2.1037 -2.0520 -2.0520 -1.9468 -1.9467 -1.8573 -1.8572 -1.3677 -1.3677 -1.2219 -1.2217 -1.1830 -1.1830 -1.0808 -1.0808 -0.8267 -0.8267 -0.7088 -0.7088 2.9358 2.9358 4.0160 4.0160 5.3191 5.3191 7.0344 7.0344 9.6885 9.6885 12.2216 12.2216 13.9056 13.9059 k = 0.3450 0.1992 0.5634 ( 8956 PWs) bands (ev): -39.2308 -39.2308 -39.2260 -39.2260 -2.1038 -2.1037 -2.0536 -2.0535 -1.9458 -1.9458 -1.8559 -1.8558 -1.3705 -1.3705 -1.2281 -1.2280 -1.1753 -1.1752 -1.0826 -1.0826 -0.8263 -0.8262 -0.7094 -0.7094 2.8620 2.8620 4.0802 4.0802 5.3228 5.3228 7.1094 7.1094 9.7102 9.7102 12.4007 12.4007 13.7716 13.7721 k = 0.3375 0.1949 0.5511 ( 8962 PWs) bands (ev): -39.2310 -39.2310 -39.2258 -39.2258 -2.1034 -2.1033 -2.0551 -2.0550 -1.9450 -1.9450 -1.8552 -1.8551 -1.3732 -1.3731 -1.2343 -1.2342 -1.1670 -1.1669 -1.0843 -1.0843 -0.8258 -0.8258 -0.7107 -0.7106 2.7838 2.7838 4.1479 4.1479 5.3352 5.3352 7.1876 7.1876 9.7330 9.7330 12.5712 12.5712 13.6399 13.6404 k = 0.3300 0.1905 0.5389 ( 8962 PWs) bands (ev): -39.2312 -39.2312 -39.2256 -39.2256 -2.1025 -2.1024 -2.0566 -2.0566 -1.9443 -1.9443 -1.8551 -1.8550 -1.3757 -1.3756 -1.2404 -1.2403 -1.1583 -1.1582 -1.0861 -1.0861 -0.8254 -0.8253 -0.7125 -0.7125 2.7019 2.7019 4.2191 4.2191 5.3558 5.3558 7.2689 7.2689 9.7570 9.7570 12.7296 12.7296 13.5104 13.5104 k = 0.3225 0.1862 0.5266 ( 8948 PWs) bands (ev): -39.2314 -39.2314 -39.2253 -39.2253 -2.1013 -2.1012 -2.0581 -2.0580 -1.9437 -1.9437 -1.8556 -1.8555 -1.3779 -1.3779 -1.2462 -1.2461 -1.1493 -1.1492 -1.0877 -1.0877 -0.8250 -0.8250 -0.7149 -0.7149 2.6170 2.6170 4.2938 4.2938 5.3841 5.3841 7.3533 7.3533 9.7822 9.7822 12.8718 12.8718 13.3831 13.3834 k = 0.3150 0.1819 0.5144 ( 8948 PWs) bands (ev): -39.2317 -39.2317 -39.2251 -39.2251 -2.0998 -2.0997 -2.0595 -2.0594 -1.9432 -1.9432 -1.8567 -1.8566 -1.3801 -1.3800 -1.2518 -1.2517 -1.1401 -1.1400 -1.0892 -1.0892 -0.8247 -0.8246 -0.7179 -0.7179 2.5296 2.5296 4.3721 4.3721 5.4197 5.4197 7.4408 7.4408 9.8087 9.8087 12.9930 12.9930 13.2580 13.2581 k = 0.3075 0.1775 0.5021 ( 8942 PWs) bands (ev): -39.2319 -39.2319 -39.2249 -39.2249 -2.0980 -2.0979 -2.0608 -2.0608 -1.9429 -1.9429 -1.8583 -1.8582 -1.3821 -1.3820 -1.2570 -1.2569 -1.1309 -1.1308 -1.0903 -1.0903 -0.8245 -0.8244 -0.7214 -0.7214 2.4404 2.4404 4.4539 4.4539 5.4620 5.4620 7.5312 7.5312 9.8363 9.8363 13.0820 13.0820 13.1366 13.1366 k = 0.3000 0.1732 0.4899 ( 8946 PWs) bands (ev): -39.2322 -39.2322 -39.2246 -39.2246 -2.0959 -2.0958 -2.0620 -2.0620 -1.9428 -1.9428 -1.8603 -1.8602 -1.3839 -1.3839 -1.2618 -1.2618 -1.1220 -1.1219 -1.0909 -1.0909 -0.8244 -0.8244 -0.7254 -0.7254 2.3499 2.3499 4.5393 4.5393 5.5107 5.5107 7.6245 7.6245 9.8652 9.8652 13.0093 13.0093 13.0195 13.0195 k = 0.2925 0.1689 0.4777 ( 8948 PWs) bands (ev): -39.2324 -39.2324 -39.2244 -39.2244 -2.0936 -2.0936 -2.0630 -2.0630 -1.9430 -1.9430 -1.8627 -1.8627 -1.3858 -1.3857 -1.2663 -1.2662 -1.1141 -1.1140 -1.0902 -1.0902 -0.8245 -0.8244 -0.7299 -0.7299 2.2586 2.2586 4.6282 4.6282 5.5653 5.5653 7.7207 7.7207 9.8952 9.8952 12.8918 12.8918 12.9033 12.9033 k = 0.2850 0.1645 0.4654 ( 8946 PWs) bands (ev): -39.2327 -39.2327 -39.2241 -39.2241 -2.0912 -2.0912 -2.0638 -2.0638 -1.9433 -1.9433 -1.8655 -1.8654 -1.3875 -1.3875 -1.2702 -1.2702 -1.1087 -1.1086 -1.0869 -1.0868 -0.8248 -0.8247 -0.7347 -0.7347 2.1669 2.1669 4.7207 4.7207 5.6255 5.6255 7.8196 7.8196 9.9265 9.9265 12.7755 12.7755 12.7895 12.7895 k = 0.2775 0.1602 0.4532 ( 8956 PWs) bands (ev): -39.2329 -39.2329 -39.2239 -39.2239 -2.0889 -2.0888 -2.0643 -2.0643 -1.9440 -1.9440 -1.8684 -1.8683 -1.3893 -1.3893 -1.2737 -1.2737 -1.1064 -1.1063 -1.0803 -1.0802 -0.8253 -0.8253 -0.7398 -0.7398 2.0753 2.0753 4.8168 4.8168 5.6909 5.6909 7.9211 7.9211 9.9590 9.9590 12.6616 12.6616 12.6784 12.6784 k = 0.2700 0.1559 0.4409 ( 8956 PWs) bands (ev): -39.2332 -39.2332 -39.2236 -39.2236 -2.0867 -2.0866 -2.0643 -2.0643 -1.9449 -1.9449 -1.8715 -1.8714 -1.3912 -1.3912 -1.2767 -1.2767 -1.1061 -1.1060 -1.0715 -1.0715 -0.8261 -0.8261 -0.7451 -0.7451 1.9840 1.9840 4.9164 4.9164 5.7614 5.7614 8.0253 8.0253 9.9927 9.9927 12.5501 12.5501 12.5701 12.5701 k = 0.2625 0.1516 0.4287 ( 8952 PWs) bands (ev): -39.2334 -39.2334 -39.2234 -39.2234 -2.0847 -2.0847 -2.0638 -2.0638 -1.9461 -1.9461 -1.8747 -1.8746 -1.3933 -1.3932 -1.2791 -1.2791 -1.1066 -1.1065 -1.0618 -1.0618 -0.8273 -0.8272 -0.7506 -0.7506 1.8934 1.8934 5.0195 5.0195 5.8365 5.8365 8.1319 8.1319 10.0275 10.0275 12.4411 12.4411 12.4647 12.4647 k = 0.2550 0.1472 0.4164 ( 8964 PWs) bands (ev): -39.2337 -39.2337 -39.2231 -39.2231 -2.0833 -2.0832 -2.0627 -2.0626 -1.9477 -1.9477 -1.8778 -1.8778 -1.3955 -1.3955 -1.2809 -1.2808 -1.1075 -1.1074 -1.0518 -1.0517 -0.8288 -0.8287 -0.7561 -0.7561 1.8038 1.8038 5.1262 5.1262 5.9162 5.9162 8.2410 8.2410 10.0635 10.0635 12.3349 12.3349 12.3622 12.3622 k = 0.2475 0.1429 0.4042 ( 8964 PWs) bands (ev): -39.2339 -39.2339 -39.2229 -39.2229 -2.0822 -2.0822 -2.0608 -2.0607 -1.9496 -1.9496 -1.8809 -1.8809 -1.3980 -1.3980 -1.2820 -1.2820 -1.1085 -1.1084 -1.0415 -1.0415 -0.8307 -0.8306 -0.7616 -0.7616 1.7154 1.7154 5.2364 5.2364 6.0003 6.0003 8.3524 8.3524 10.1007 10.1007 12.2313 12.2313 12.2627 12.2627 k = 0.2400 0.1386 0.3919 ( 8964 PWs) bands (ev): -39.2342 -39.2342 -39.2226 -39.2226 -2.0816 -2.0816 -2.0584 -2.0583 -1.9518 -1.9517 -1.8840 -1.8840 -1.4008 -1.4008 -1.2824 -1.2824 -1.1095 -1.1095 -1.0313 -1.0312 -0.8331 -0.8330 -0.7670 -0.7670 1.6283 1.6283 5.3501 5.3501 6.0885 6.0885 8.4660 8.4660 10.1389 10.1389 12.1305 12.1305 12.1662 12.1662 k = 0.2325 0.1342 0.3797 ( 8973 PWs) bands (ev): -39.2345 -39.2345 -39.2224 -39.2224 -2.0813 -2.0812 -2.0555 -2.0554 -1.9543 -1.9542 -1.8869 -1.8868 -1.4039 -1.4039 -1.2822 -1.2822 -1.1106 -1.1105 -1.0211 -1.0210 -0.8359 -0.8358 -0.7721 -0.7721 1.5429 1.5429 5.4673 5.4673 6.1807 6.1807 8.5817 8.5817 10.1783 10.1783 12.0324 12.0324 12.0729 12.0729 k = 0.2250 0.1299 0.3674 ( 8979 PWs) bands (ev): -39.2347 -39.2347 -39.2221 -39.2221 -2.0811 -2.0810 -2.0524 -2.0523 -1.9570 -1.9569 -1.8896 -1.8896 -1.4074 -1.4074 -1.2813 -1.2813 -1.1116 -1.1115 -1.0111 -1.0110 -0.8392 -0.8392 -0.7769 -0.7769 1.4592 1.4592 5.5879 5.5879 6.2768 6.2768 8.6994 8.6994 10.2186 10.2186 11.9371 11.9371 11.9828 11.9828 k = 0.2175 0.1256 0.3552 ( 8979 PWs) bands (ev): -39.2350 -39.2350 -39.2219 -39.2219 -2.0810 -2.0809 -2.0492 -2.0491 -1.9598 -1.9597 -1.8922 -1.8922 -1.4113 -1.4113 -1.2797 -1.2797 -1.1126 -1.1125 -1.0012 -1.0012 -0.8430 -0.8429 -0.7814 -0.7814 1.3773 1.3773 5.7120 5.7120 6.3766 6.3766 8.8188 8.8188 10.2599 10.2599 11.8447 11.8447 11.8959 11.8959 k = 0.2100 0.1212 0.3429 ( 8971 PWs) bands (ev): -39.2352 -39.2352 -39.2216 -39.2216 -2.0808 -2.0807 -2.0461 -2.0459 -1.9627 -1.9626 -1.8947 -1.8947 -1.4155 -1.4155 -1.2775 -1.2775 -1.1135 -1.1135 -0.9916 -0.9916 -0.8471 -0.8471 -0.7855 -0.7855 1.2975 1.2975 5.8394 5.8394 6.4800 6.4800 8.9400 8.9400 10.3021 10.3021 11.7551 11.7551 11.8125 11.8125 k = 0.2025 0.1169 0.3307 ( 8967 PWs) bands (ev): -39.2355 -39.2355 -39.2214 -39.2214 -2.0806 -2.0806 -2.0430 -2.0429 -1.9656 -1.9655 -1.8971 -1.8970 -1.4201 -1.4201 -1.2746 -1.2746 -1.1145 -1.1144 -0.9823 -0.9823 -0.8515 -0.8515 -0.7894 -0.7893 1.2197 1.2197 5.9702 5.9702 6.5870 6.5870 9.0626 9.0626 10.3452 10.3452 11.6685 11.6685 11.7325 11.7325 k = 0.1950 0.1126 0.3184 ( 8975 PWs) bands (ev): -39.2357 -39.2357 -39.2211 -39.2211 -2.0804 -2.0803 -2.0401 -2.0400 -1.9684 -1.9683 -1.8994 -1.8993 -1.4251 -1.4250 -1.2712 -1.2712 -1.1154 -1.1154 -0.9734 -0.9734 -0.8561 -0.8561 -0.7929 -0.7929 1.1442 1.1442 6.1044 6.1044 6.6975 6.6975 9.1864 9.1864 10.3890 10.3890 11.5847 11.5847 11.6562 11.6562 k = 0.1875 0.1083 0.3062 ( 8967 PWs) bands (ev): -39.2360 -39.2360 -39.2209 -39.2209 -2.0800 -2.0799 -2.0376 -2.0375 -1.9710 -1.9709 -1.9016 -1.9015 -1.4303 -1.4303 -1.2672 -1.2672 -1.1164 -1.1163 -0.9649 -0.9648 -0.8607 -0.8607 -0.7962 -0.7961 1.0710 1.0710 6.2418 6.2418 6.8113 6.8113 9.3111 9.3111 10.4334 10.4334 11.5039 11.5039 11.5837 11.5837 k = 0.1800 0.1039 0.2939 ( 8971 PWs) bands (ev): -39.2362 -39.2362 -39.2207 -39.2207 -2.0795 -2.0794 -2.0355 -2.0354 -1.9731 -1.9731 -1.9038 -1.9037 -1.4359 -1.4359 -1.2627 -1.2627 -1.1173 -1.1172 -0.9568 -0.9568 -0.8652 -0.8652 -0.7993 -0.7993 1.0002 1.0002 6.3824 6.3824 6.9283 6.9283 9.4363 9.4363 10.4784 10.4784 11.4261 11.4261 11.5154 11.5154 k = 0.1725 0.0996 0.2817 ( 8975 PWs) bands (ev): -39.2364 -39.2364 -39.2204 -39.2204 -2.0788 -2.0787 -2.0339 -2.0338 -1.9749 -1.9748 -1.9059 -1.9058 -1.4417 -1.4417 -1.2578 -1.2578 -1.1182 -1.1182 -0.9493 -0.9493 -0.8694 -0.8693 -0.8023 -0.8022 0.9318 0.9318 6.5263 6.5263 7.0485 7.0485 9.5617 9.5617 10.5238 10.5238 11.3513 11.3513 11.4515 11.4515 k = 0.1650 0.0953 0.2694 ( 8973 PWs) bands (ev): -39.2367 -39.2367 -39.2202 -39.2202 -2.0781 -2.0780 -2.0328 -2.0327 -1.9761 -1.9760 -1.9081 -1.9080 -1.4478 -1.4477 -1.2525 -1.2525 -1.1192 -1.1192 -0.9424 -0.9424 -0.8731 -0.8731 -0.8052 -0.8051 0.8659 0.8659 6.6733 6.6733 7.1719 7.1719 9.6865 9.6865 10.5695 10.5695 11.2795 11.2795 11.3926 11.3926 k = 0.1575 0.0909 0.2572 ( 8977 PWs) bands (ev): -39.2369 -39.2369 -39.2200 -39.2200 -2.0772 -2.0771 -2.0323 -2.0322 -1.9767 -1.9766 -1.9103 -1.9102 -1.4540 -1.4540 -1.2468 -1.2468 -1.1203 -1.1202 -0.9363 -0.9362 -0.8762 -0.8762 -0.8080 -0.8080 0.8027 0.8027 6.8233 6.8233 7.2982 7.2982 9.8099 9.8099 10.6152 10.6152 11.2108 11.2108 11.3393 11.3393 k = 0.1500 0.0866 0.2449 ( 8981 PWs) bands (ev): -39.2371 -39.2371 -39.2198 -39.2198 -2.0762 -2.0761 -2.0323 -2.0323 -1.9767 -1.9767 -1.9126 -1.9125 -1.4604 -1.4604 -1.2409 -1.2408 -1.1214 -1.1213 -0.9310 -0.9309 -0.8785 -0.8784 -0.8108 -0.8108 0.7421 0.7421 6.9765 6.9765 7.4275 7.4275 9.9308 9.9308 10.6609 10.6609 11.1452 11.1452 11.2925 11.2925 k = 0.1425 0.0823 0.2327 ( 8993 PWs) bands (ev): -39.2373 -39.2373 -39.2196 -39.2196 -2.0750 -2.0749 -2.0329 -2.0328 -1.9763 -1.9762 -1.9148 -1.9147 -1.4670 -1.4670 -1.2347 -1.2346 -1.1225 -1.1225 -0.9267 -0.9266 -0.8798 -0.8798 -0.8136 -0.8136 0.6841 0.6841 7.1325 7.1325 7.5597 7.5597 10.0475 10.0475 10.7062 10.7062 11.0827 11.0827 11.2536 11.2536 k = 0.1350 0.0779 0.2205 ( 8991 PWs) bands (ev): -39.2375 -39.2375 -39.2194 -39.2194 -2.0737 -2.0737 -2.0338 -2.0338 -1.9753 -1.9753 -1.9172 -1.9171 -1.4736 -1.4736 -1.2282 -1.2282 -1.1237 -1.1237 -0.9234 -0.9234 -0.8800 -0.8800 -0.8165 -0.8164 0.6289 0.6289 7.2915 7.2915 7.6946 7.6946 10.1579 10.1579 10.7509 10.7509 11.0235 11.0235 11.2247 11.2247 k = 0.1275 0.0736 0.2082 ( 8999 PWs) bands (ev): -39.2377 -39.2377 -39.2192 -39.2192 -2.0724 -2.0723 -2.0350 -2.0350 -1.9741 -1.9741 -1.9196 -1.9195 -1.4803 -1.4803 -1.2217 -1.2217 -1.1250 -1.1250 -0.9211 -0.9211 -0.8793 -0.8793 -0.8193 -0.8193 0.5764 0.5764 7.4533 7.4533 7.8322 7.8322 10.2587 10.2587 10.7944 10.7944 10.9679 10.9679 11.2084 11.2084 k = 0.1200 0.0693 0.1960 ( 8991 PWs) bands (ev): -39.2379 -39.2379 -39.2190 -39.2190 -2.0709 -2.0708 -2.0364 -2.0364 -1.9726 -1.9726 -1.9220 -1.9219 -1.4870 -1.4870 -1.2150 -1.2150 -1.1264 -1.1263 -0.9196 -0.9196 -0.8777 -0.8777 -0.8222 -0.8221 0.5268 0.5268 7.6178 7.6178 7.9725 7.9725 10.3462 10.3462 10.8350 10.8350 10.9173 10.9173 11.2084 11.2084 k = 0.1125 0.0650 0.1837 ( 8995 PWs) bands (ev): -39.2380 -39.2380 -39.2189 -39.2189 -2.0694 -2.0693 -2.0379 -2.0379 -1.9709 -1.9709 -1.9245 -1.9244 -1.4937 -1.4936 -1.2083 -1.2083 -1.1278 -1.1277 -0.9186 -0.9186 -0.8756 -0.8756 -0.8250 -0.8250 0.4800 0.4800 7.7849 7.7849 8.1152 8.1152 10.4164 10.4164 10.8498 10.8498 10.8940 10.8940 11.2281 11.2281 k = 0.1050 0.0606 0.1715 ( 8991 PWs) bands (ev): -39.2382 -39.2382 -39.2187 -39.2187 -2.0678 -2.0677 -2.0394 -2.0394 -1.9691 -1.9691 -1.9270 -1.9269 -1.5002 -1.5002 -1.2016 -1.2016 -1.1292 -1.1291 -0.9179 -0.9178 -0.8732 -0.8732 -0.8279 -0.8279 0.4361 0.4361 7.9546 7.9546 8.2604 8.2604 10.4670 10.4670 10.8114 10.8114 10.9248 10.9248 11.2698 11.2698 k = 0.0975 0.0563 0.1592 ( 8995 PWs) bands (ev): -39.2384 -39.2384 -39.2186 -39.2186 -2.0661 -2.0660 -2.0409 -2.0408 -1.9673 -1.9672 -1.9296 -1.9295 -1.5066 -1.5066 -1.1950 -1.1950 -1.1306 -1.1306 -0.9172 -0.9172 -0.8707 -0.8707 -0.8308 -0.8308 0.3950 0.3950 8.1267 8.1267 8.4080 8.4080 10.4985 10.4985 10.7691 10.7691 10.9598 10.9598 11.3326 11.3326 k = 0.0900 0.0520 0.1470 ( 9001 PWs) bands (ev): -39.2385 -39.2385 -39.2184 -39.2184 -2.0644 -2.0644 -2.0423 -2.0423 -1.9654 -1.9654 -1.9321 -1.9320 -1.5128 -1.5128 -1.1885 -1.1885 -1.1321 -1.1320 -0.9164 -0.9164 -0.8683 -0.8683 -0.8337 -0.8337 0.3569 0.3569 8.3010 8.3010 8.5577 8.5577 10.5141 10.5141 10.7290 10.7290 10.9922 10.9922 11.4122 11.4122 k = 0.0825 0.0476 0.1347 ( 8993 PWs) bands (ev): -39.2386 -39.2386 -39.2183 -39.2183 -2.0627 -2.0626 -2.0436 -2.0436 -1.9636 -1.9636 -1.9347 -1.9346 -1.5188 -1.5188 -1.1822 -1.1822 -1.1335 -1.1335 -0.9156 -0.9156 -0.8661 -0.8660 -0.8366 -0.8366 0.3218 0.3218 8.4774 8.4774 8.7095 8.7095 10.5183 10.5183 10.6918 10.6918 11.0208 11.0208 11.5029 11.5029 k = 0.0750 0.0433 0.1225 ( 8997 PWs) bands (ev): -39.2388 -39.2388 -39.2182 -39.2182 -2.0610 -2.0610 -2.0448 -2.0448 -1.9619 -1.9619 -1.9372 -1.9371 -1.5245 -1.5245 -1.1762 -1.1762 -1.1349 -1.1349 -0.9145 -0.9145 -0.8641 -0.8641 -0.8394 -0.8394 0.2896 0.2896 8.6556 8.6556 8.8633 8.8633 10.5151 10.5151 10.6578 10.6578 11.0446 11.0446 11.5980 11.5980 k = 0.0675 0.0390 0.1102 ( 8993 PWs) bands (ev): -39.2389 -39.2389 -39.2180 -39.2180 -2.0593 -2.0593 -2.0459 -2.0459 -1.9602 -1.9602 -1.9396 -1.9395 -1.5299 -1.5299 -1.1704 -1.1704 -1.1363 -1.1362 -0.9133 -0.9133 -0.8624 -0.8623 -0.8421 -0.8421 0.2605 0.2605 8.8354 8.8354 9.0189 9.0189 10.5074 10.5074 10.6269 10.6269 11.0625 11.0625 11.6784 11.6784 k = 0.0600 0.0346 0.0980 ( 8989 PWs) bands (ev): -39.2390 -39.2390 -39.2179 -39.2179 -2.0577 -2.0577 -2.0469 -2.0469 -1.9587 -1.9587 -1.9419 -1.9418 -1.5348 -1.5348 -1.1651 -1.1651 -1.1375 -1.1375 -0.9120 -0.9120 -0.8609 -0.8609 -0.8447 -0.8447 0.2343 0.2343 9.0164 9.0164 9.1761 9.1761 10.4975 10.4975 10.5992 10.5992 11.0726 11.0726 11.6282 11.6282 k = 0.0525 0.0303 0.0857 ( 8981 PWs) bands (ev): -39.2391 -39.2391 -39.2179 -39.2179 -2.0562 -2.0562 -2.0477 -2.0477 -1.9573 -1.9572 -1.9441 -1.9440 -1.5393 -1.5393 -1.1602 -1.1602 -1.1387 -1.1386 -0.9105 -0.9105 -0.8598 -0.8597 -0.8472 -0.8472 0.2112 0.2112 9.1981 9.1981 9.3348 9.3348 10.4869 10.4869 10.5748 10.5748 11.0727 11.0727 11.5111 11.5111 k = 0.0450 0.0260 0.0735 ( 8979 PWs) bands (ev): -39.2391 -39.2391 -39.2178 -39.2178 -2.0548 -2.0547 -2.0484 -2.0484 -1.9560 -1.9560 -1.9461 -1.9460 -1.5433 -1.5433 -1.1558 -1.1558 -1.1397 -1.1397 -0.9091 -0.9091 -0.8589 -0.8588 -0.8495 -0.8495 0.1912 0.1912 9.3798 9.3798 9.4948 9.4948 10.4767 10.4767 10.5536 10.5536 11.0593 11.0593 11.3818 11.3818 k = 0.0375 0.0217 0.0612 ( 8985 PWs) bands (ev): -39.2392 -39.2392 -39.2177 -39.2177 -2.0535 -2.0535 -2.0490 -2.0490 -1.9549 -1.9549 -1.9478 -1.9478 -1.5468 -1.5468 -1.1519 -1.1519 -1.1406 -1.1406 -0.9076 -0.9076 -0.8582 -0.8582 -0.8516 -0.8516 0.1742 0.1742 9.5604 9.5604 9.6559 9.6559 10.4677 10.4677 10.5358 10.5358 11.0276 11.0277 11.2450 11.2450 k = 0.0300 0.0173 0.0490 ( 8985 PWs) bands (ev): -39.2393 -39.2393 -39.2177 -39.2177 -2.0524 -2.0524 -2.0495 -2.0495 -1.9539 -1.9539 -1.9494 -1.9493 -1.5497 -1.5497 -1.1487 -1.1487 -1.1414 -1.1413 -0.9063 -0.9063 -0.8577 -0.8577 -0.8534 -0.8534 0.1602 0.1602 9.7381 9.7381 9.8179 9.8179 10.4607 10.4607 10.5213 10.5213 10.9727 10.9727 11.1028 11.1028 k = 0.0225 0.0130 0.0367 ( 8983 PWs) bands (ev): -39.2393 -39.2393 -39.2176 -39.2176 -2.0515 -2.0515 -2.0499 -2.0499 -1.9532 -1.9532 -1.9506 -1.9506 -1.5520 -1.5520 -1.1461 -1.1461 -1.1420 -1.1420 -0.9051 -0.9051 -0.8573 -0.8573 -0.8549 -0.8549 0.1494 0.1494 9.9096 9.9096 9.9806 9.9806 10.4569 10.4569 10.5103 10.5103 10.8911 10.8911 10.9569 10.9569 k = 0.0150 0.0087 0.0245 ( 8951 PWs) bands (ev): -39.2393 -39.2393 -39.2176 -39.2176 -2.0509 -2.0509 -2.0501 -2.0501 -1.9527 -1.9527 -1.9515 -1.9515 -1.5536 -1.5536 -1.1443 -1.1443 -1.1424 -1.1424 -0.9042 -0.9042 -0.8571 -0.8571 -0.8561 -0.8561 0.1417 0.1417 10.0685 10.0685 10.1420 10.1420 10.4594 10.4594 10.5035 10.5035 10.7840 10.7840 10.8099 10.8099 k = 0.0075 0.0043 0.0122 ( 8915 PWs) bands (ev): -39.2394 -39.2394 -39.2175 -39.2175 -2.0505 -2.0505 -2.0503 -2.0503 -1.9523 -1.9523 -1.9520 -1.9520 -1.5546 -1.5546 -1.1431 -1.1431 -1.1427 -1.1427 -0.9036 -0.9036 -0.8570 -0.8570 -0.8568 -0.8567 0.1370 0.1370 10.1981 10.1981 10.2932 10.2932 10.4790 10.4790 10.5044 10.5044 10.6608 10.6608 10.6667 10.6667 k = 0.0000 0.0000 0.0000 ( 8873 PWs) bands (ev): -39.2393 -39.2393 -39.2175 -39.2175 -2.0503 -2.0503 -2.0503 -2.0503 -1.9522 -1.9522 -1.9522 -1.9522 -1.5549 -1.5549 -1.1427 -1.1427 -1.1427 -1.1427 -0.9034 -0.9034 -0.8570 -0.8570 -0.8570 -0.8570 0.1355 0.1355 10.2536 10.2536 10.3776 10.3776 10.5348 10.5348 10.5348 10.5348 10.5563 10.5563 10.5563 10.5563 k = 0.0000 0.0000 0.0000 ( 8873 PWs) bands (ev): -39.2393 -39.2393 -39.2175 -39.2175 -2.0503 -2.0503 -2.0503 -2.0503 -1.9522 -1.9522 -1.9522 -1.9522 -1.5549 -1.5549 -1.1427 -1.1427 -1.1427 -1.1427 -0.9034 -0.9034 -0.8570 -0.8570 -0.8570 -0.8570 0.1355 0.1355 10.2536 10.2536 10.3776 10.3776 10.5348 10.5348 10.5348 10.5348 10.5563 10.5563 10.5563 10.5563 k = 0.0122 0.0070 0.0050 ( 8918 PWs) bands (ev): -39.2394 -39.2394 -39.2175 -39.2175 -2.0505 -2.0505 -2.0503 -2.0503 -1.9523 -1.9523 -1.9520 -1.9520 -1.5546 -1.5546 -1.1431 -1.1431 -1.1427 -1.1427 -0.9036 -0.9036 -0.8570 -0.8570 -0.8568 -0.8568 0.1370 0.1370 10.1959 10.1959 10.2997 10.2997 10.4538 10.4539 10.5359 10.5359 10.6399 10.6399 10.6770 10.6770 k = 0.0244 0.0141 0.0100 ( 8945 PWs) bands (ev): -39.2393 -39.2393 -39.2176 -39.2176 -2.0509 -2.0509 -2.0501 -2.0501 -1.9527 -1.9527 -1.9515 -1.9515 -1.5536 -1.5536 -1.1441 -1.1441 -1.1426 -1.1426 -0.9042 -0.9042 -0.8569 -0.8569 -0.8563 -0.8563 0.1416 0.1416 10.0407 10.0407 10.2005 10.2005 10.3658 10.3658 10.6073 10.6073 10.7360 10.7360 10.8162 10.8162 k = 0.0366 0.0211 0.0149 ( 8975 PWs) bands (ev): -39.2393 -39.2393 -39.2176 -39.2176 -2.0516 -2.0516 -2.0498 -2.0498 -1.9532 -1.9532 -1.9506 -1.9506 -1.5520 -1.5520 -1.1457 -1.1457 -1.1424 -1.1424 -0.9052 -0.9052 -0.8568 -0.8568 -0.8555 -0.8555 0.1493 0.1493 9.8458 9.8458 10.1150 10.1150 10.2803 10.2803 10.6963 10.6963 10.8350 10.8350 10.9287 10.9287 k = 0.0488 0.0282 0.0199 ( 8987 PWs) bands (ev): -39.2393 -39.2393 -39.2177 -39.2177 -2.0526 -2.0526 -2.0493 -2.0493 -1.9540 -1.9540 -1.9494 -1.9493 -1.5497 -1.5497 -1.1479 -1.1479 -1.1421 -1.1421 -0.9064 -0.9064 -0.8566 -0.8566 -0.8544 -0.8544 0.1600 0.1600 9.6392 9.6392 10.0331 10.0331 10.1975 10.1975 10.7920 10.7920 10.9366 10.9366 11.0051 11.0051 k = 0.0610 0.0352 0.0249 ( 8987 PWs) bands (ev): -39.2392 -39.2392 -39.2177 -39.2177 -2.0537 -2.0537 -2.0488 -2.0488 -1.9549 -1.9549 -1.9479 -1.9478 -1.5469 -1.5469 -1.1507 -1.1507 -1.1417 -1.1417 -0.9079 -0.9079 -0.8564 -0.8564 -0.8531 -0.8531 0.1738 0.1738 9.4278 9.4278 9.9536 9.9536 10.1174 10.1174 10.8915 10.8915 11.0408 11.0408 11.0469 11.0469 k = 0.0732 0.0422 0.0299 ( 8987 PWs) bands (ev): -39.2391 -39.2391 -39.2178 -39.2178 -2.0550 -2.0550 -2.0481 -2.0481 -1.9560 -1.9560 -1.9462 -1.9461 -1.5435 -1.5435 -1.1541 -1.1541 -1.1413 -1.1413 -0.9097 -0.9097 -0.8561 -0.8561 -0.8516 -0.8516 0.1907 0.1907 9.2144 9.2144 9.8763 9.8763 10.0400 10.0400 10.9931 10.9931 11.0626 11.0626 11.1475 11.1475 k = 0.0854 0.0493 0.0349 ( 8981 PWs) bands (ev): -39.2391 -39.2391 -39.2179 -39.2179 -2.0565 -2.0564 -2.0473 -2.0473 -1.9573 -1.9573 -1.9443 -1.9442 -1.5395 -1.5395 -1.1580 -1.1580 -1.1408 -1.1407 -0.9116 -0.9116 -0.8558 -0.8558 -0.8500 -0.8500 0.2105 0.2105 9.0005 9.0005 9.8015 9.8015 9.9654 9.9654 11.0569 11.0569 11.0996 11.0996 11.2566 11.2566 k = 0.0976 0.0563 0.0398 ( 8999 PWs) bands (ev): -39.2390 -39.2390 -39.2179 -39.2179 -2.0580 -2.0579 -2.0464 -2.0464 -1.9586 -1.9586 -1.9422 -1.9422 -1.5351 -1.5351 -1.1623 -1.1623 -1.1401 -1.1401 -0.9137 -0.9137 -0.8555 -0.8555 -0.8484 -0.8484 0.2335 0.2335 8.7867 8.7867 9.7291 9.7291 9.8937 9.8937 11.0436 11.0436 11.2024 11.2024 11.3678 11.3678 k = 0.1098 0.0634 0.0448 ( 9002 PWs) bands (ev): -39.2389 -39.2389 -39.2180 -39.2180 -2.0595 -2.0594 -2.0453 -2.0453 -1.9601 -1.9601 -1.9401 -1.9400 -1.5303 -1.5303 -1.1671 -1.1671 -1.1394 -1.1393 -0.9158 -0.9158 -0.8551 -0.8551 -0.8467 -0.8467 0.2594 0.2594 8.5739 8.5739 9.6592 9.6592 9.8247 9.8247 11.0217 11.0217 11.3039 11.3039 11.4806 11.4806 k = 0.1220 0.0704 0.0498 ( 9002 PWs) bands (ev): -39.2388 -39.2388 -39.2182 -39.2182 -2.0610 -2.0610 -2.0442 -2.0442 -1.9617 -1.9617 -1.9380 -1.9379 -1.5252 -1.5252 -1.1722 -1.1722 -1.1385 -1.1385 -0.9181 -0.9181 -0.8547 -0.8547 -0.8450 -0.8450 0.2883 0.2883 8.3623 8.3623 9.5918 9.5918 9.7585 9.7585 10.9950 10.9950 11.3972 11.3972 11.5931 11.5931 k = 0.1341 0.0774 0.0548 ( 8999 PWs) bands (ev): -39.2387 -39.2387 -39.2183 -39.2183 -2.0625 -2.0624 -2.0430 -2.0430 -1.9633 -1.9633 -1.9359 -1.9358 -1.5197 -1.5197 -1.1777 -1.1777 -1.1376 -1.1376 -0.9203 -0.9203 -0.8543 -0.8543 -0.8433 -0.8433 0.3202 0.3202 8.1523 8.1523 9.5270 9.5270 9.6951 9.6951 10.9654 10.9654 11.4665 11.4665 11.6945 11.6945 k = 0.1463 0.0845 0.0597 ( 8996 PWs) bands (ev): -39.2385 -39.2385 -39.2184 -39.2184 -2.0639 -2.0639 -2.0417 -2.0417 -1.9650 -1.9650 -1.9338 -1.9337 -1.5140 -1.5140 -1.1834 -1.1834 -1.1366 -1.1365 -0.9226 -0.9226 -0.8538 -0.8538 -0.8418 -0.8418 0.3551 0.3551 7.9442 7.9442 9.4648 9.4648 9.6346 9.6346 10.9340 10.9340 11.4860 11.4860 11.7124 11.7124 k = 0.1585 0.0915 0.0647 ( 8984 PWs) bands (ev): -39.2384 -39.2384 -39.2185 -39.2185 -2.0652 -2.0652 -2.0403 -2.0403 -1.9667 -1.9667 -1.9318 -1.9317 -1.5082 -1.5082 -1.1892 -1.1892 -1.1354 -1.1354 -0.9248 -0.9248 -0.8534 -0.8534 -0.8403 -0.8403 0.3929 0.3929 7.7382 7.7382 9.4052 9.4052 9.5769 9.5769 10.9017 10.9017 11.4548 11.4548 11.6446 11.6446 k = 0.1707 0.0986 0.0697 ( 8987 PWs) bands (ev): -39.2382 -39.2382 -39.2187 -39.2187 -2.0664 -2.0664 -2.0388 -2.0388 -1.9684 -1.9684 -1.9299 -1.9298 -1.5022 -1.5022 -1.1953 -1.1953 -1.1342 -1.1341 -0.9270 -0.9270 -0.8529 -0.8529 -0.8390 -0.8390 0.4336 0.4336 7.5345 7.5345 9.3482 9.3482 9.5219 9.5219 10.8691 10.8691 11.3970 11.3970 11.5623 11.5623 k = 0.1829 0.1056 0.0747 ( 8993 PWs) bands (ev): -39.2381 -39.2381 -39.2188 -39.2188 -2.0675 -2.0675 -2.0373 -2.0373 -1.9701 -1.9701 -1.9282 -1.9281 -1.4963 -1.4963 -1.2014 -1.2014 -1.1328 -1.1328 -0.9290 -0.9290 -0.8524 -0.8524 -0.8378 -0.8378 0.4773 0.4773 7.3332 7.3332 9.2938 9.2938 9.4698 9.4698 10.8366 10.8366 11.3282 11.3282 11.4767 11.4767 k = 0.1951 0.1127 0.0797 ( 8994 PWs) bands (ev): -39.2379 -39.2379 -39.2190 -39.2190 -2.0684 -2.0684 -2.0357 -2.0357 -1.9718 -1.9718 -1.9266 -1.9265 -1.4903 -1.4903 -1.2075 -1.2075 -1.1314 -1.1313 -0.9309 -0.9309 -0.8520 -0.8519 -0.8367 -0.8367 0.5238 0.5238 7.1344 7.1344 9.2420 9.2420 9.4205 9.4205 10.8045 10.8045 11.2544 11.2544 11.3902 11.3902 k = 0.2073 0.1197 0.0846 ( 8994 PWs) bands (ev): -39.2377 -39.2377 -39.2192 -39.2192 -2.0692 -2.0691 -2.0340 -2.0340 -1.9735 -1.9735 -1.9252 -1.9251 -1.4845 -1.4845 -1.2135 -1.2135 -1.1298 -1.1297 -0.9327 -0.9327 -0.8515 -0.8514 -0.8359 -0.8359 0.5732 0.5732 6.9383 6.9383 9.1928 9.1928 9.3740 9.3740 10.7730 10.7730 11.1786 11.1786 11.3038 11.3038 k = 0.2195 0.1267 0.0896 ( 8985 PWs) bands (ev): -39.2375 -39.2375 -39.2194 -39.2194 -2.0698 -2.0697 -2.0323 -2.0323 -1.9751 -1.9751 -1.9240 -1.9239 -1.4789 -1.4789 -1.2194 -1.2194 -1.1282 -1.1281 -0.9343 -0.9343 -0.8510 -0.8510 -0.8352 -0.8352 0.6254 0.6254 6.7449 6.7449 9.1461 9.1461 9.3303 9.3303 10.7424 10.7424 11.1022 11.1022 11.2180 11.2180 k = 0.2317 0.1338 0.0946 ( 8985 PWs) bands (ev): -39.2373 -39.2373 -39.2195 -39.2195 -2.0702 -2.0701 -2.0305 -2.0305 -1.9767 -1.9767 -1.9230 -1.9229 -1.4736 -1.4736 -1.2252 -1.2252 -1.1264 -1.1263 -0.9357 -0.9357 -0.8505 -0.8505 -0.8347 -0.8347 0.6805 0.6805 6.5544 6.5544 9.1020 9.1020 9.2893 9.2893 10.7127 10.7127 11.0261 11.0261 11.1333 11.1333 k = 0.2439 0.1408 0.0996 ( 8973 PWs) bands (ev): -39.2371 -39.2371 -39.2197 -39.2197 -2.0705 -2.0704 -2.0286 -2.0286 -1.9782 -1.9782 -1.9223 -1.9221 -1.4686 -1.4686 -1.2307 -1.2307 -1.1246 -1.1245 -0.9369 -0.9369 -0.8501 -0.8500 -0.8345 -0.8345 0.7382 0.7382 6.3669 6.3669 9.0605 9.0605 9.2510 9.2510 10.6842 10.6842 10.9509 10.9509 11.0500 11.0500 k = 0.2561 0.1479 0.1046 ( 8976 PWs) bands (ev): -39.2370 -39.2370 -39.2199 -39.2199 -2.0705 -2.0704 -2.0268 -2.0268 -1.9796 -1.9796 -1.9217 -1.9216 -1.4640 -1.4640 -1.2358 -1.2358 -1.1227 -1.1226 -0.9379 -0.9379 -0.8497 -0.8496 -0.8344 -0.8344 0.7986 0.7986 6.1825 6.1825 9.0214 9.0214 9.2155 9.2155 10.6567 10.6567 10.8771 10.8771 10.9684 10.9684 k = 0.2683 0.1549 0.1095 ( 8982 PWs) bands (ev): -39.2367 -39.2367 -39.2201 -39.2201 -2.0704 -2.0703 -2.0249 -2.0249 -1.9810 -1.9810 -1.9214 -1.9213 -1.4598 -1.4598 -1.2407 -1.2407 -1.1207 -1.1207 -0.9386 -0.9386 -0.8492 -0.8492 -0.8346 -0.8346 0.8617 0.8617 6.0013 6.0013 8.9848 8.9848 9.1826 9.1826 10.6305 10.6305 10.8050 10.8050 10.8888 10.8888 k = 0.2805 0.1619 0.1145 ( 8970 PWs) bands (ev): -39.2365 -39.2365 -39.2203 -39.2203 -2.0701 -2.0700 -2.0229 -2.0229 -1.9824 -1.9824 -1.9213 -1.9212 -1.4562 -1.4562 -1.2451 -1.2451 -1.1187 -1.1187 -0.9390 -0.9390 -0.8489 -0.8488 -0.8350 -0.8350 0.9273 0.9273 5.8234 5.8234 8.9506 8.9506 9.1523 9.1523 10.6055 10.6055 10.7350 10.7350 10.8115 10.8115 k = 0.2927 0.1690 0.1195 ( 8970 PWs) bands (ev): -39.2363 -39.2363 -39.2205 -39.2205 -2.0697 -2.0696 -2.0210 -2.0210 -1.9836 -1.9836 -1.9214 -1.9213 -1.4531 -1.4531 -1.2490 -1.2490 -1.1167 -1.1166 -0.9392 -0.9392 -0.8485 -0.8484 -0.8356 -0.8356 0.9954 0.9954 5.6489 5.6489 8.9189 8.9189 9.1247 9.1247 10.5817 10.5817 10.6675 10.6675 10.7366 10.7366 k = 0.3049 0.1760 0.1245 ( 8970 PWs) bands (ev): -39.2361 -39.2361 -39.2207 -39.2207 -2.0691 -2.0690 -2.0191 -2.0191 -1.9848 -1.9848 -1.9217 -1.9216 -1.4506 -1.4506 -1.2525 -1.2525 -1.1146 -1.1146 -0.9390 -0.9390 -0.8482 -0.8481 -0.8365 -0.8365 1.0658 1.0658 5.4780 5.4780 8.8895 8.8895 9.0995 9.0995 10.5590 10.5590 10.6027 10.6027 10.6644 10.6644 k = 0.3171 0.1831 0.1294 ( 8970 PWs) bands (ev): -39.2359 -39.2359 -39.2209 -39.2209 -2.0683 -2.0682 -2.0172 -2.0172 -1.9859 -1.9859 -1.9222 -1.9221 -1.4487 -1.4487 -1.2554 -1.2554 -1.1126 -1.1125 -0.9386 -0.9386 -0.8478 -0.8478 -0.8375 -0.8375 1.1385 1.1385 5.3108 5.3108 8.8624 8.8624 9.0768 9.0768 10.5334 10.5334 10.5450 10.5450 10.5951 10.5951 k = 0.3293 0.1901 0.1344 ( 8940 PWs) bands (ev): -39.2357 -39.2357 -39.2211 -39.2211 -2.0674 -2.0674 -2.0154 -2.0154 -1.9869 -1.9869 -1.9229 -1.9228 -1.4474 -1.4474 -1.2579 -1.2579 -1.1105 -1.1105 -0.9380 -0.9380 -0.8476 -0.8475 -0.8388 -0.8388 1.2132 1.2132 5.1476 5.1476 8.8375 8.8375 9.0564 9.0564 10.4793 10.4793 10.5200 10.5200 10.5289 10.5289 k = 0.3415 0.1971 0.1394 ( 8946 PWs) bands (ev): -39.2355 -39.2355 -39.2213 -39.2213 -2.0665 -2.0664 -2.0136 -2.0136 -1.9878 -1.9878 -1.9237 -1.9236 -1.4465 -1.4465 -1.2598 -1.2598 -1.1085 -1.1084 -0.9370 -0.9370 -0.8473 -0.8473 -0.8402 -0.8402 1.2897 1.2897 4.9886 4.9886 8.8148 8.8148 9.0383 9.0383 10.4235 10.4235 10.4660 10.4660 10.5013 10.5013 k = 0.3537 0.2042 0.1444 ( 8958 PWs) bands (ev): -39.2353 -39.2353 -39.2215 -39.2215 -2.0654 -2.0653 -2.0119 -2.0119 -1.9886 -1.9886 -1.9246 -1.9246 -1.4462 -1.4462 -1.2614 -1.2614 -1.1065 -1.1065 -0.9358 -0.9358 -0.8471 -0.8470 -0.8419 -0.8419 1.3678 1.3678 4.8340 4.8340 8.7942 8.7942 9.0224 9.0224 10.3708 10.3708 10.4065 10.4065 10.4842 10.4842 k = 0.3659 0.2112 0.1494 ( 8964 PWs) bands (ev): -39.2351 -39.2351 -39.2217 -39.2217 -2.0643 -2.0642 -2.0103 -2.0103 -1.9893 -1.9893 -1.9257 -1.9256 -1.4464 -1.4464 -1.2625 -1.2625 -1.1047 -1.1046 -0.9344 -0.9344 -0.8469 -0.8468 -0.8436 -0.8436 1.4471 1.4471 4.6843 4.6843 8.7756 8.7756 9.0086 9.0086 10.3215 10.3215 10.3508 10.3508 10.4686 10.4686 k = 0.3780 0.2183 0.1543 ( 8964 PWs) bands (ev): -39.2349 -39.2349 -39.2219 -39.2219 -2.0631 -2.0630 -2.0088 -2.0088 -1.9899 -1.9899 -1.9268 -1.9267 -1.4468 -1.4468 -1.2633 -1.2633 -1.1028 -1.1028 -0.9327 -0.9327 -0.8467 -0.8467 -0.8456 -0.8456 1.5271 1.5271 4.5399 4.5399 8.7591 8.7591 8.9967 8.9967 10.2759 10.2759 10.2989 10.2989 10.4544 10.4544 k = 0.3902 0.2253 0.1593 ( 8952 PWs) bands (ev): -39.2347 -39.2347 -39.2221 -39.2221 -2.0619 -2.0618 -2.0075 -2.0075 -1.9904 -1.9904 -1.9280 -1.9279 -1.4476 -1.4476 -1.2637 -1.2637 -1.1012 -1.1011 -0.9309 -0.9309 -0.8476 -0.8476 -0.8466 -0.8465 1.6074 1.6074 4.4013 4.4013 8.7444 8.7444 8.9866 8.9866 10.2341 10.2341 10.2511 10.2511 10.4415 10.4415 k = 0.4024 0.2323 0.1643 ( 8946 PWs) bands (ev): -39.2346 -39.2346 -39.2223 -39.2223 -2.0607 -2.0607 -2.0064 -2.0064 -1.9907 -1.9907 -1.9291 -1.9290 -1.4485 -1.4485 -1.2640 -1.2640 -1.0996 -1.0995 -0.9290 -0.9290 -0.8497 -0.8497 -0.8464 -0.8464 1.6872 1.6872 4.2694 4.2694 8.7315 8.7315 8.9781 8.9781 10.1963 10.1963 10.2076 10.2076 10.4301 10.4301 k = 0.4146 0.2394 0.1693 ( 8952 PWs) bands (ev): -39.2344 -39.2344 -39.2224 -39.2224 -2.0596 -2.0595 -2.0054 -2.0054 -1.9909 -1.9909 -1.9302 -1.9302 -1.4496 -1.4496 -1.2640 -1.2640 -1.0981 -1.0981 -0.9270 -0.9270 -0.8518 -0.8518 -0.8463 -0.8463 1.7654 1.7654 4.1452 4.1452 8.7204 8.7204 8.9712 8.9712 10.1625 10.1625 10.1686 10.1686 10.4199 10.4199 k = 0.4268 0.2464 0.1743 ( 8937 PWs) bands (ev): -39.2343 -39.2343 -39.2225 -39.2225 -2.0585 -2.0585 -2.0046 -2.0046 -1.9910 -1.9910 -1.9313 -1.9313 -1.4506 -1.4506 -1.2640 -1.2640 -1.0969 -1.0968 -0.9250 -0.9250 -0.8539 -0.8539 -0.8462 -0.8462 1.8408 1.8408 4.0298 4.0298 8.7109 8.7109 8.9656 8.9656 10.1330 10.1330 10.1343 10.1343 10.4112 10.4112 k = 0.4390 0.2535 0.1792 ( 8943 PWs) bands (ev): -39.2341 -39.2341 -39.2227 -39.2227 -2.0575 -2.0575 -2.0040 -2.0040 -1.9909 -1.9909 -1.9323 -1.9322 -1.4517 -1.4517 -1.2639 -1.2639 -1.0958 -1.0957 -0.9231 -0.9231 -0.8559 -0.8559 -0.8462 -0.8461 1.9116 1.9116 3.9252 3.9252 8.7030 8.7030 8.9611 8.9611 10.1048 10.1048 10.1078 10.1078 10.4038 10.4038 k = 0.4512 0.2605 0.1842 ( 8937 PWs) bands (ev): -39.2340 -39.2340 -39.2228 -39.2228 -2.0567 -2.0567 -2.0036 -2.0036 -1.9908 -1.9908 -1.9331 -1.9331 -1.4526 -1.4526 -1.2637 -1.2637 -1.0948 -1.0948 -0.9213 -0.9213 -0.8577 -0.8577 -0.8461 -0.8461 1.9758 1.9758 3.8333 3.8333 8.6967 8.6967 8.9578 8.9578 10.0805 10.0805 10.0870 10.0870 10.3977 10.3977 k = 0.4634 0.2676 0.1892 ( 8940 PWs) bands (ev): -39.2340 -39.2340 -39.2228 -39.2228 -2.0560 -2.0560 -2.0033 -2.0033 -1.9907 -1.9907 -1.9338 -1.9338 -1.4534 -1.4534 -1.2636 -1.2636 -1.0941 -1.0941 -0.9198 -0.9198 -0.8592 -0.8592 -0.8461 -0.8460 2.0305 2.0305 3.7570 3.7570 8.6918 8.6918 8.9553 8.9553 10.0613 10.0613 10.0708 10.0708 10.3930 10.3930 k = 0.4756 0.2746 0.1942 ( 8943 PWs) bands (ev): -39.2339 -39.2339 -39.2229 -39.2229 -2.0555 -2.0555 -2.0031 -2.0031 -1.9906 -1.9906 -1.9343 -1.9343 -1.4540 -1.4540 -1.2634 -1.2634 -1.0936 -1.0936 -0.9186 -0.9186 -0.8604 -0.8604 -0.8460 -0.8460 2.0729 2.0729 3.6993 3.6993 8.6884 8.6884 8.9537 8.9537 10.0476 10.0476 10.0591 10.0591 10.3897 10.3897 k = 0.4878 0.2816 0.1991 ( 8937 PWs) bands (ev): -39.2339 -39.2339 -39.2229 -39.2229 -2.0552 -2.0552 -2.0030 -2.0030 -1.9905 -1.9905 -1.9346 -1.9346 -1.4543 -1.4543 -1.2634 -1.2634 -1.0933 -1.0932 -0.9179 -0.9179 -0.8611 -0.8611 -0.8460 -0.8460 2.0999 2.0999 3.6631 3.6631 8.6863 8.6863 8.9527 8.9527 10.0392 10.0392 10.0521 10.0521 10.3876 10.3876 k = 0.5000 0.2887 0.2041 ( 8928 PWs) bands (ev): -39.2339 -39.2339 -39.2229 -39.2229 -2.0551 -2.0551 -2.0029 -2.0029 -1.9905 -1.9905 -1.9347 -1.9347 -1.4545 -1.4545 -1.2633 -1.2633 -1.0931 -1.0931 -0.9176 -0.9176 -0.8614 -0.8614 -0.8460 -0.8460 2.1091 2.1091 3.6508 3.6508 8.6856 8.6856 8.9524 8.9524 10.0365 10.0365 10.0498 10.0498 10.3870 10.3870 k = 0.5000 0.2887 0.2041 ( 8928 PWs) bands (ev): -39.2339 -39.2339 -39.2229 -39.2229 -2.0551 -2.0551 -2.0029 -2.0029 -1.9905 -1.9905 -1.9347 -1.9347 -1.4545 -1.4545 -1.2633 -1.2633 -1.0931 -1.0931 -0.9176 -0.9176 -0.8614 -0.8614 -0.8460 -0.8460 2.1091 2.1091 3.6508 3.6508 8.6856 8.6856 8.9524 8.9524 10.0365 10.0365 10.0498 10.0498 10.3870 10.3870 k = 0.5043 0.2762 0.2112 ( 8943 PWs) bands (ev): -39.2338 -39.2338 -39.2230 -39.2230 -2.0554 -2.0554 -2.0037 -2.0036 -1.9901 -1.9901 -1.9341 -1.9341 -1.4543 -1.4543 -1.2633 -1.2633 -1.0934 -1.0934 -0.9190 -0.9190 -0.8610 -0.8610 -0.8448 -0.8448 2.1104 2.1104 3.6519 3.6519 8.6667 8.6667 8.9292 8.9292 10.0474 10.0474 10.0645 10.0645 10.4056 10.4056 k = 0.5086 0.2638 0.2182 ( 8945 PWs) bands (ev): -39.2338 -39.2338 -39.2230 -39.2230 -2.0561 -2.0561 -2.0056 -2.0055 -1.9890 -1.9889 -1.9323 -1.9323 -1.4537 -1.4537 -1.2632 -1.2631 -1.0940 -1.0940 -0.9231 -0.9231 -0.8602 -0.8602 -0.8415 -0.8415 2.1142 2.1142 3.6553 3.6553 8.6106 8.6106 8.8678 8.8678 10.0702 10.0702 10.1070 10.1070 10.4642 10.4642 k = 0.5129 0.2513 0.2252 ( 8933 PWs) bands (ev): -39.2338 -39.2338 -39.2230 -39.2230 -2.0573 -2.0573 -2.0083 -2.0082 -1.9875 -1.9873 -1.9294 -1.9294 -1.4526 -1.4526 -1.2629 -1.2629 -1.0950 -1.0950 -0.9290 -0.9290 -0.8592 -0.8592 -0.8363 -0.8363 2.1205 2.1205 3.6610 3.6610 8.5196 8.5196 8.7848 8.7848 10.0881 10.0881 10.1741 10.1741 10.5640 10.5640 k = 0.5172 0.2389 0.2323 ( 8928 PWs) bands (ev): -39.2337 -39.2337 -39.2230 -39.2230 -2.0589 -2.0589 -2.0115 -2.0114 -1.9856 -1.9855 -1.9258 -1.9258 -1.4512 -1.4512 -1.2626 -1.2626 -1.0964 -1.0964 -0.9361 -0.9361 -0.8581 -0.8581 -0.8299 -0.8299 2.1293 2.1293 3.6690 3.6690 8.3991 8.3991 8.6933 8.6933 10.0947 10.0947 10.2611 10.2611 10.6974 10.6974 k = 0.5216 0.2265 0.2393 ( 8931 PWs) bands (ev): -39.2337 -39.2337 -39.2231 -39.2231 -2.0609 -2.0609 -2.0150 -2.0149 -1.9836 -1.9835 -1.9215 -1.9215 -1.4494 -1.4494 -1.2622 -1.2622 -1.0982 -1.0982 -0.9441 -0.9441 -0.8569 -0.8569 -0.8227 -0.8227 2.1407 2.1407 3.6791 3.6791 8.2570 8.2570 8.5990 8.5990 10.0919 10.0919 10.3632 10.3632 10.8536 10.8536 k = 0.5259 0.2140 0.2464 ( 8941 PWs) bands (ev): -39.2336 -39.2336 -39.2232 -39.2232 -2.0632 -2.0631 -2.0185 -2.0185 -1.9814 -1.9813 -1.9168 -1.9168 -1.4472 -1.4472 -1.2617 -1.2617 -1.1004 -1.1004 -0.9525 -0.9525 -0.8557 -0.8557 -0.8151 -0.8151 2.1547 2.1547 3.6914 3.6914 8.1010 8.1010 8.5039 8.5039 10.0825 10.0825 10.4772 10.4772 11.0236 11.0236 k = 0.5302 0.2016 0.2534 ( 8948 PWs) bands (ev): -39.2336 -39.2336 -39.2232 -39.2232 -2.0657 -2.0656 -2.0221 -2.0221 -1.9791 -1.9790 -1.9118 -1.9118 -1.4447 -1.4447 -1.2612 -1.2611 -1.1029 -1.1029 -0.9611 -0.9611 -0.8543 -0.8543 -0.8072 -0.8072 2.1712 2.1712 3.7057 3.7057 7.9366 7.9366 8.4083 8.4083 10.0684 10.0684 10.6003 10.6003 11.2016 11.2016 k = 0.5345 0.1891 0.2604 ( 8949 PWs) bands (ev): -39.2335 -39.2335 -39.2233 -39.2233 -2.0683 -2.0683 -2.0256 -2.0256 -1.9767 -1.9766 -1.9067 -1.9066 -1.4417 -1.4417 -1.2606 -1.2605 -1.1056 -1.1056 -0.9699 -0.9699 -0.8528 -0.8528 -0.7994 -0.7994 2.1904 2.1904 3.7221 3.7221 7.7677 7.7677 8.3128 8.3128 10.0510 10.0510 10.7309 10.7309 11.3834 11.3834 k = 0.5388 0.1767 0.2675 ( 8948 PWs) bands (ev): -39.2334 -39.2334 -39.2234 -39.2234 -2.0712 -2.0711 -2.0290 -2.0290 -1.9743 -1.9742 -1.9015 -1.9014 -1.4385 -1.4385 -1.2599 -1.2598 -1.1086 -1.1086 -0.9787 -0.9787 -0.8513 -0.8513 -0.7915 -0.7915 2.2122 2.2122 3.7403 3.7403 7.5966 7.5966 8.2179 8.2179 10.0311 10.0311 10.8677 10.8677 11.5657 11.5657 k = 0.5431 0.1642 0.2745 ( 8948 PWs) bands (ev): -39.2333 -39.2333 -39.2235 -39.2235 -2.0741 -2.0740 -2.0321 -2.0321 -1.9719 -1.9718 -1.8963 -1.8963 -1.4349 -1.4349 -1.2591 -1.2590 -1.1119 -1.1119 -0.9875 -0.9875 -0.8497 -0.8496 -0.7838 -0.7838 2.2367 2.2367 3.7603 3.7603 7.4249 7.4249 8.1241 8.1241 10.0095 10.0095 11.0097 11.0097 11.7457 11.7457 k = 0.5474 0.1518 0.2816 ( 8946 PWs) bands (ev): -39.2331 -39.2331 -39.2237 -39.2237 -2.0770 -2.0770 -2.0350 -2.0350 -1.9695 -1.9695 -1.8913 -1.8913 -1.4310 -1.4310 -1.2582 -1.2581 -1.1153 -1.1153 -0.9961 -0.9961 -0.8480 -0.8480 -0.7763 -0.7763 2.2639 2.2639 3.7819 3.7819 7.2539 7.2539 8.0316 8.0316 9.9866 9.9866 11.1563 11.1563 11.9207 11.9207 k = 0.5517 0.1394 0.2886 ( 8950 PWs) bands (ev): -39.2330 -39.2330 -39.2238 -39.2238 -2.0799 -2.0799 -2.0377 -2.0377 -1.9672 -1.9672 -1.8865 -1.8864 -1.4269 -1.4269 -1.2572 -1.2571 -1.1190 -1.1189 -1.0046 -1.0046 -0.8463 -0.8462 -0.7691 -0.7691 2.2938 2.2938 3.8049 3.8049 7.0845 7.0845 7.9410 7.9410 9.9628 9.9628 11.3071 11.3071 12.0874 12.0874 k = 0.5560 0.1269 0.2956 ( 8952 PWs) bands (ev): -39.2329 -39.2329 -39.2239 -39.2239 -2.0828 -2.0827 -2.0401 -2.0401 -1.9650 -1.9650 -1.8819 -1.8818 -1.4225 -1.4225 -1.2561 -1.2560 -1.1228 -1.1227 -1.0128 -1.0128 -0.8445 -0.8445 -0.7621 -0.7621 2.3265 2.3265 3.8291 3.8291 6.9174 6.9174 7.8523 7.8523 9.9385 9.9385 11.4616 11.4616 12.2423 12.2423 k = 0.5603 0.1145 0.3027 ( 8946 PWs) bands (ev): -39.2327 -39.2327 -39.2241 -39.2241 -2.0856 -2.0855 -2.0422 -2.0422 -1.9629 -1.9629 -1.8776 -1.8775 -1.4180 -1.4180 -1.2549 -1.2548 -1.1267 -1.1267 -1.0207 -1.0207 -0.8428 -0.8428 -0.7555 -0.7555 2.3619 2.3619 3.8541 3.8541 6.7533 6.7533 7.7658 7.7658 9.9140 9.9140 11.6196 11.6196 12.3809 12.3809 k = 0.5647 0.1020 0.3097 ( 8952 PWs) bands (ev): -39.2326 -39.2326 -39.2242 -39.2242 -2.0883 -2.0882 -2.0441 -2.0441 -1.9609 -1.9609 -1.8736 -1.8736 -1.4133 -1.4133 -1.2535 -1.2534 -1.1309 -1.1309 -1.0282 -1.0282 -0.8411 -0.8411 -0.7492 -0.7492 2.4001 2.4001 3.8796 3.8796 6.5929 6.5929 7.6818 7.6818 9.8896 9.8896 11.7808 11.7808 12.4974 12.4974 k = 0.5690 0.0896 0.3167 ( 8946 PWs) bands (ev): -39.2324 -39.2324 -39.2244 -39.2244 -2.0908 -2.0907 -2.0457 -2.0456 -1.9590 -1.9590 -1.8701 -1.8700 -1.4085 -1.4084 -1.2519 -1.2518 -1.1352 -1.1351 -1.0353 -1.0353 -0.8395 -0.8394 -0.7433 -0.7433 2.4411 2.4411 3.9052 3.9052 6.4369 6.4369 7.6004 7.6004 9.8654 9.8654 11.9452 11.9452 12.5852 12.5852 k = 0.5733 0.0771 0.3238 ( 8947 PWs) bands (ev): -39.2322 -39.2322 -39.2246 -39.2246 -2.0931 -2.0930 -2.0470 -2.0470 -1.9573 -1.9573 -1.8669 -1.8668 -1.4036 -1.4036 -1.2501 -1.2500 -1.1396 -1.1396 -1.0420 -1.0420 -0.8379 -0.8379 -0.7378 -0.7378 2.4848 2.4848 3.9302 3.9302 6.2862 6.2862 7.5218 7.5218 9.8416 9.8416 12.1124 12.1124 12.6377 12.6377 k = 0.5776 0.0647 0.3308 ( 8943 PWs) bands (ev): -39.2320 -39.2320 -39.2248 -39.2248 -2.0952 -2.0951 -2.0481 -2.0481 -1.9557 -1.9557 -1.8642 -1.8641 -1.3987 -1.3987 -1.2480 -1.2479 -1.1443 -1.1442 -1.0482 -1.0481 -0.8364 -0.8363 -0.7328 -0.7328 2.5313 2.5313 3.9539 3.9539 6.1416 6.1416 7.4460 7.4460 9.8184 9.8184 12.2822 12.2822 12.6515 12.6515 k = 0.5819 0.0523 0.3379 ( 8945 PWs) bands (ev): -39.2318 -39.2318 -39.2250 -39.2250 -2.0971 -2.0970 -2.0490 -2.0489 -1.9543 -1.9543 -1.8620 -1.8619 -1.3939 -1.3939 -1.2457 -1.2456 -1.1491 -1.1490 -1.0538 -1.0537 -0.8349 -0.8349 -0.7282 -0.7282 2.5804 2.5804 3.9754 3.9754 6.0042 6.0042 7.3732 7.3732 9.7959 9.7959 12.4540 12.4540 12.6295 12.6295 k = 0.5862 0.0398 0.3449 ( 8947 PWs) bands (ev): -39.2316 -39.2316 -39.2251 -39.2251 -2.0987 -2.0986 -2.0496 -2.0496 -1.9530 -1.9530 -1.8603 -1.8602 -1.3892 -1.3892 -1.2430 -1.2429 -1.1541 -1.1540 -1.0588 -1.0588 -0.8336 -0.8335 -0.7241 -0.7241 2.6320 2.6320 3.9936 3.9936 5.8755 5.8755 7.3036 7.3036 9.7743 9.7743 12.5678 12.5678 12.6383 12.6383 k = 0.5905 0.0274 0.3519 ( 8950 PWs) bands (ev): -39.2314 -39.2314 -39.2254 -39.2254 -2.1000 -2.1000 -2.0501 -2.0500 -1.9519 -1.9519 -1.8590 -1.8589 -1.3846 -1.3846 -1.2399 -1.2398 -1.1592 -1.1592 -1.0632 -1.0632 -0.8323 -0.8323 -0.7205 -0.7205 2.6861 2.6861 4.0070 4.0070 5.7569 5.7569 7.2371 7.2371 9.7537 9.7537 12.4983 12.4983 12.8115 12.8115 k = 0.5948 0.0149 0.3590 ( 8960 PWs) bands (ev): -39.2312 -39.2312 -39.2256 -39.2256 -2.1011 -2.1011 -2.0503 -2.0503 -1.9510 -1.9510 -1.8583 -1.8582 -1.3803 -1.3802 -1.2365 -1.2364 -1.1645 -1.1644 -1.0669 -1.0669 -0.8312 -0.8312 -0.7175 -0.7175 2.7424 2.7424 4.0143 4.0143 5.6504 5.6504 7.1739 7.1739 9.7340 9.7340 12.4098 12.4098 12.9917 12.9917 k = 0.5991 0.0025 0.3660 ( 8968 PWs) bands (ev): -39.2310 -39.2310 -39.2258 -39.2258 -2.1020 -2.1019 -2.0504 -2.0503 -1.9502 -1.9502 -1.8581 -1.8580 -1.3762 -1.3761 -1.2327 -1.2326 -1.1699 -1.1698 -1.0701 -1.0701 -0.8302 -0.8302 -0.7149 -0.7149 2.8006 2.8006 4.0137 4.0137 5.5579 5.5579 7.1140 7.1140 9.7155 9.7155 12.3115 12.3115 13.1748 13.1748 k = 0.6034-0.0100 0.3731 ( 8968 PWs) bands (ev): -39.2308 -39.2308 -39.2260 -39.2260 -2.1025 -2.1024 -2.0503 -2.0502 -1.9497 -1.9497 -1.8584 -1.8583 -1.3723 -1.3723 -1.2286 -1.2285 -1.1753 -1.1752 -1.0726 -1.0726 -0.8294 -0.8294 -0.7129 -0.7129 2.8601 2.8601 4.0038 4.0038 5.4814 5.4814 7.0576 7.0576 9.6981 9.6981 12.2072 12.2072 13.3604 13.3604 k = 0.6078-0.0224 0.3801 ( 8966 PWs) bands (ev): -39.2306 -39.2306 -39.2262 -39.2262 -2.1028 -2.1027 -2.0500 -2.0499 -1.9493 -1.9493 -1.8591 -1.8590 -1.3688 -1.3688 -1.2243 -1.2242 -1.1807 -1.1806 -1.0745 -1.0744 -0.8287 -0.8287 -0.7114 -0.7114 2.9201 2.9201 3.9841 3.9841 5.4224 5.4224 7.0047 7.0047 9.6820 9.6820 12.0994 12.0994 13.5485 13.5485 k = 0.6121-0.0348 0.3871 ( 8958 PWs) bands (ev): -39.2304 -39.2304 -39.2263 -39.2263 -2.1028 -2.1027 -2.0496 -2.0495 -1.9491 -1.9491 -1.8602 -1.8601 -1.3656 -1.3656 -1.2199 -1.2197 -1.1858 -1.1857 -1.0757 -1.0757 -0.8282 -0.8282 -0.7104 -0.7104 2.9794 2.9794 3.9548 3.9548 5.3817 5.3817 6.9554 6.9554 9.6671 9.6671 11.9897 11.9897 13.7390 13.7390 k = 0.6164-0.0473 0.3942 ( 8960 PWs) bands (ev): -39.2303 -39.2303 -39.2265 -39.2265 -2.1025 -2.1024 -2.0490 -2.0490 -1.9491 -1.9491 -1.8617 -1.8616 -1.3628 -1.3627 -1.2158 -1.2157 -1.1902 -1.1902 -1.0764 -1.0763 -0.8278 -0.8278 -0.7100 -0.7100 3.0359 3.0359 3.9184 3.9184 5.3593 5.3593 6.9097 6.9097 9.6536 9.6536 11.8794 11.8794 13.9318 13.9318 k = 0.6207-0.0597 0.4012 ( 8962 PWs) bands (ev): -39.2301 -39.2301 -39.2267 -39.2267 -2.1020 -2.1019 -2.0483 -2.0483 -1.9494 -1.9493 -1.8636 -1.8634 -1.3603 -1.3602 -1.2132 -1.2130 -1.1930 -1.1929 -1.0764 -1.0764 -0.8277 -0.8276 -0.7101 -0.7101 3.0862 3.0862 3.8792 3.8792 5.3538 5.3538 6.8677 6.8677 9.6414 9.6414 11.7692 11.7692 14.1267 14.1267 k = 0.6250-0.0722 0.4082 ( 8970 PWs) bands (ev): -39.2300 -39.2300 -39.2268 -39.2268 -2.1012 -2.1011 -2.0476 -2.0475 -1.9499 -1.9498 -1.8656 -1.8655 -1.3581 -1.3581 -1.2135 -1.2134 -1.1925 -1.1925 -1.0758 -1.0758 -0.8277 -0.8276 -0.7107 -0.7107 3.1253 3.1253 3.8442 3.8442 5.3635 5.3635 6.8295 6.8295 9.6306 9.6306 11.6597 11.6597 14.3183 14.3187 k = 0.6250-0.0722 0.4082 ( 8970 PWs) bands (ev): -39.2300 -39.2300 -39.2268 -39.2268 -2.1012 -2.1011 -2.0476 -2.0475 -1.9499 -1.9498 -1.8656 -1.8655 -1.3581 -1.3581 -1.2135 -1.2134 -1.1925 -1.1925 -1.0758 -1.0758 -0.8277 -0.8276 -0.7107 -0.7107 3.1253 3.1253 3.8442 3.8442 5.3635 5.3635 6.8295 6.8295 9.6306 9.6306 11.6597 11.6597 14.3183 14.3188 k = 0.6176-0.0679 0.4203 ( 8964 PWs) bands (ev): -39.2300 -39.2300 -39.2268 -39.2268 -2.1012 -2.1011 -2.0479 -2.0479 -1.9494 -1.9494 -1.8656 -1.8655 -1.3583 -1.3582 -1.2133 -1.2132 -1.1925 -1.1925 -1.0762 -1.0762 -0.8276 -0.8275 -0.7106 -0.7106 3.1268 3.1268 3.8439 3.8439 5.3648 5.3648 6.8201 6.8201 9.6433 9.6433 11.6598 11.6598 14.2847 14.2847 k = 0.6103-0.0637 0.4323 ( 8966 PWs) bands (ev): -39.2300 -39.2300 -39.2268 -39.2268 -2.1013 -2.1012 -2.0490 -2.0490 -1.9480 -1.9479 -1.8655 -1.8654 -1.3586 -1.3586 -1.2127 -1.2126 -1.1924 -1.1924 -1.0774 -1.0774 -0.8273 -0.8272 -0.7102 -0.7102 3.1313 3.1313 3.8429 3.8429 5.3685 5.3685 6.7925 6.7925 9.6810 9.6810 11.6600 11.6600 14.2008 14.2008 k = 0.6029-0.0594 0.4443 ( 8960 PWs) bands (ev): -39.2299 -39.2299 -39.2269 -39.2269 -2.1014 -2.1013 -2.0508 -2.0507 -1.9458 -1.9457 -1.8653 -1.8652 -1.3592 -1.3591 -1.2117 -1.2116 -1.1923 -1.1923 -1.0793 -1.0793 -0.8268 -0.8268 -0.7097 -0.7096 3.1387 3.1387 3.8412 3.8412 5.3748 5.3748 6.7484 6.7484 9.7420 9.7420 11.6602 11.6602 14.0898 14.0898 k = 0.5956-0.0552 0.4563 ( 8961 PWs) bands (ev): -39.2299 -39.2299 -39.2269 -39.2269 -2.1015 -2.1014 -2.0530 -2.0529 -1.9429 -1.9428 -1.8651 -1.8649 -1.3600 -1.3599 -1.2104 -1.2102 -1.1921 -1.1921 -1.0820 -1.0820 -0.8262 -0.8261 -0.7088 -0.7088 3.1490 3.1490 3.8386 3.8386 5.3836 5.3836 6.6901 6.6901 9.8240 9.8240 11.6604 11.6604 13.9663 13.9663 k = 0.5882-0.0509 0.4683 ( 8953 PWs) bands (ev): -39.2298 -39.2298 -39.2269 -39.2269 -2.1017 -2.1017 -2.0555 -2.0554 -1.9396 -1.9395 -1.8647 -1.8646 -1.3609 -1.3608 -1.2087 -1.2086 -1.1918 -1.1918 -1.0854 -1.0853 -0.8254 -0.8254 -0.7078 -0.7078 3.1624 3.1624 3.8350 3.8350 5.3949 5.3949 6.6204 6.6204 9.9242 9.9242 11.6604 11.6604 13.8376 13.8376 k = 0.5809-0.0467 0.4803 ( 8957 PWs) bands (ev): -39.2298 -39.2298 -39.2270 -39.2270 -2.1020 -2.1019 -2.0582 -2.0581 -1.9360 -1.9359 -1.8643 -1.8642 -1.3619 -1.3619 -1.2069 -1.2068 -1.1914 -1.1914 -1.0894 -1.0893 -0.8246 -0.8245 -0.7067 -0.7067 3.1787 3.1787 3.8300 3.8300 5.4086 5.4086 6.5421 6.5421 10.0398 10.0398 11.6599 11.6599 13.7074 13.7074 k = 0.5735-0.0425 0.4923 ( 8948 PWs) bands (ev): -39.2297 -39.2297 -39.2271 -39.2271 -2.1024 -2.1023 -2.0608 -2.0608 -1.9323 -1.9321 -1.8638 -1.8636 -1.3630 -1.3630 -1.2048 -1.2048 -1.1907 -1.1907 -1.0939 -1.0938 -0.8237 -0.8236 -0.7054 -0.7054 3.1981 3.1981 3.8234 3.8234 5.4248 5.4248 6.4580 6.4580 10.1683 10.1683 11.6589 11.6589 13.5780 13.5780 k = 0.5662-0.0382 0.5043 ( 8950 PWs) bands (ev): -39.2296 -39.2296 -39.2272 -39.2272 -2.1028 -2.1027 -2.0634 -2.0633 -1.9286 -1.9285 -1.8632 -1.8630 -1.3642 -1.3642 -1.2028 -1.2027 -1.1897 -1.1897 -1.0988 -1.0988 -0.8228 -0.8227 -0.7040 -0.7040 3.2205 3.2205 3.8149 3.8149 5.4433 5.4433 6.3705 6.3705 10.3069 10.3069 11.6568 11.6568 13.4509 13.4509 k = 0.5588-0.0340 0.5163 ( 8942 PWs) bands (ev): -39.2295 -39.2295 -39.2273 -39.2273 -2.1033 -2.1032 -2.0658 -2.0657 -1.9251 -1.9250 -1.8624 -1.8623 -1.3653 -1.3653 -1.2009 -1.2008 -1.1884 -1.1883 -1.1042 -1.1041 -0.8219 -0.8218 -0.7025 -0.7025 3.2459 3.2459 3.8038 3.8038 5.4642 5.4642 6.2818 6.2818 10.4535 10.4535 11.6532 11.6532 13.3276 13.3276 k = 0.5515-0.0297 0.5283 ( 8948 PWs) bands (ev): -39.2294 -39.2294 -39.2274 -39.2274 -2.1039 -2.1038 -2.0679 -2.0678 -1.9219 -1.9218 -1.8617 -1.8615 -1.3664 -1.3664 -1.1991 -1.1990 -1.1866 -1.1865 -1.1098 -1.1097 -0.8210 -0.8209 -0.7011 -0.7011 3.2743 3.2743 3.7899 3.7899 5.4874 5.4874 6.1939 6.1939 10.6054 10.6054 11.6477 11.6477 13.2092 13.2092 k = 0.5441-0.0255 0.5403 ( 8948 PWs) bands (ev): -39.2293 -39.2293 -39.2275 -39.2275 -2.1045 -2.1044 -2.0697 -2.0696 -1.9191 -1.9189 -1.8608 -1.8607 -1.3674 -1.3674 -1.1975 -1.1973 -1.1844 -1.1842 -1.1156 -1.1155 -0.8202 -0.8201 -0.6997 -0.6997 3.3059 3.3059 3.7725 3.7725 5.5128 5.5128 6.1086 6.1086 10.7603 10.7603 11.6396 11.6396 13.0976 13.0976 k = 0.5368-0.0212 0.5523 ( 8950 PWs) bands (ev): -39.2292 -39.2292 -39.2276 -39.2276 -2.1052 -2.1051 -2.0712 -2.0711 -1.9167 -1.9165 -1.8600 -1.8598 -1.3683 -1.3683 -1.1960 -1.1958 -1.1819 -1.1817 -1.1214 -1.1213 -0.8195 -0.8194 -0.6984 -0.6984 3.3404 3.3405 3.7510 3.7510 5.5403 5.5403 6.0275 6.0275 10.9150 10.9150 11.6282 11.6282 12.9950 12.9950 k = 0.5294-0.0170 0.5643 ( 8946 PWs) bands (ev): -39.2290 -39.2290 -39.2277 -39.2277 -2.1058 -2.1057 -2.0723 -2.0722 -1.9147 -1.9145 -1.8592 -1.8590 -1.3691 -1.3691 -1.1946 -1.1944 -1.1792 -1.1791 -1.1271 -1.1269 -0.8189 -0.8188 -0.6972 -0.6972 3.3781 3.3781 3.7250 3.7250 5.5697 5.5697 5.9523 5.9523 11.0657 11.0657 11.6127 11.6127 12.9045 12.9045 k = 0.5221-0.0127 0.5764 ( 8938 PWs) bands (ev): -39.2289 -39.2289 -39.2279 -39.2279 -2.1064 -2.1063 -2.0731 -2.0731 -1.9132 -1.9130 -1.8584 -1.8583 -1.3696 -1.3696 -1.1932 -1.1930 -1.1767 -1.1766 -1.1323 -1.1321 -0.8184 -0.8183 -0.6962 -0.6962 3.4188 3.4188 3.6940 3.6940 5.6007 5.6007 5.8843 5.8843 11.2068 11.2068 11.5922 11.5922 12.8311 12.8311 k = 0.5147-0.0085 0.5884 ( 8936 PWs) bands (ev): -39.2287 -39.2287 -39.2280 -39.2280 -2.1068 -2.1067 -2.0737 -2.0736 -1.9121 -1.9120 -1.8578 -1.8577 -1.3701 -1.3701 -1.1919 -1.1917 -1.1747 -1.1746 -1.1366 -1.1365 -0.8181 -0.8180 -0.6955 -0.6955 3.4623 3.4623 3.6576 3.6576 5.6322 5.6322 5.8255 5.8255 11.3309 11.3309 11.5659 11.5659 12.7816 12.7816 k = 0.5074-0.0042 0.6004 ( 8940 PWs) bands (ev): -39.2286 -39.2286 -39.2282 -39.2282 -2.1071 -2.1070 -2.0740 -2.0739 -1.9115 -1.9113 -1.8575 -1.8573 -1.3703 -1.3703 -1.1908 -1.1907 -1.1735 -1.1734 -1.1396 -1.1394 -0.8178 -0.8178 -0.6950 -0.6950 3.5077 3.5077 3.6167 3.6167 5.6612 5.6612 5.7799 5.7799 11.4285 11.4285 11.5335 11.5335 12.7647 12.7647 k = 0.5000 0.0000 0.6124 ( 8940 PWs) bands (ev): -39.2284 -39.2284 -39.2284 -39.2284 -2.1072 -2.1071 -2.0741 -2.0740 -1.9113 -1.9111 -1.8573 -1.8572 -1.3704 -1.3704 -1.1903 -1.1902 -1.1732 -1.1731 -1.1406 -1.1405 -0.8178 -0.8177 -0.6948 -0.6948 3.5412 3.5412 3.5846 3.5846 5.6756 5.6756 5.7599 5.7599 11.4821 11.4821 11.5028 11.5029 12.7807 12.7807 k = 0.5000 0.0000 0.6124 ( 8940 PWs) bands (ev): -39.2284 -39.2284 -39.2284 -39.2284 -2.1072 -2.1071 -2.0741 -2.0740 -1.9113 -1.9111 -1.8573 -1.8572 -1.3704 -1.3704 -1.1903 -1.1902 -1.1732 -1.1731 -1.1406 -1.1405 -0.8178 -0.8177 -0.6948 -0.6948 3.5412 3.5412 3.5846 3.5846 5.6756 5.6756 5.7599 5.7599 11.4821 11.4821 11.5028 11.5029 12.7807 12.7807 k = 0.5000 0.0085 0.6004 ( 8944 PWs) bands (ev): -39.2286 -39.2286 -39.2281 -39.2281 -2.1072 -2.1071 -2.0741 -2.0740 -1.9115 -1.9114 -1.8573 -1.8571 -1.3705 -1.3705 -1.1907 -1.1905 -1.1737 -1.1736 -1.1396 -1.1394 -0.8179 -0.8178 -0.6950 -0.6949 3.4852 3.4852 3.6391 3.6391 5.6508 5.6508 5.7916 5.7916 11.4287 11.4287 11.5529 11.5529 12.7267 12.7267 k = 0.5000 0.0170 0.5884 ( 8946 PWs) bands (ev): -39.2289 -39.2289 -39.2279 -39.2279 -2.1070 -2.1069 -2.0739 -2.0738 -1.9122 -1.9121 -1.8570 -1.8569 -1.3708 -1.3708 -1.1919 -1.1917 -1.1747 -1.1746 -1.1367 -1.1366 -0.8181 -0.8180 -0.6954 -0.6953 3.4114 3.4114 3.7081 3.7081 5.6123 5.6123 5.8513 5.8513 11.3645 11.3645 11.6067 11.6067 12.6723 12.6723 k = 0.5000 0.0255 0.5764 ( 8940 PWs) bands (ev): -39.2291 -39.2291 -39.2276 -39.2276 -2.1068 -2.1067 -2.0735 -2.0735 -1.9134 -1.9132 -1.8567 -1.8566 -1.3713 -1.3713 -1.1942 -1.1941 -1.1754 -1.1754 -1.1326 -1.1325 -0.8185 -0.8184 -0.6960 -0.6960 3.3366 3.3366 3.7744 3.7744 5.5792 5.5792 5.9203 5.9203 11.2993 11.2993 11.6528 11.6528 12.6291 12.6291 k = 0.5000 0.0340 0.5643 ( 8940 PWs) bands (ev): -39.2294 -39.2294 -39.2274 -39.2274 -2.1064 -2.1063 -2.0731 -2.0730 -1.9149 -1.9147 -1.8563 -1.8562 -1.3721 -1.3721 -1.1976 -1.1976 -1.1754 -1.1754 -1.1278 -1.1277 -0.8190 -0.8190 -0.6970 -0.6969 3.2622 3.2622 3.8357 3.8357 5.5556 5.5556 5.9952 5.9952 11.2340 11.2340 11.6875 11.6875 12.6005 12.6005 k = 0.5000 0.0425 0.5523 ( 8944 PWs) bands (ev): -39.2296 -39.2296 -39.2271 -39.2271 -2.1060 -2.1059 -2.0725 -2.0724 -1.9167 -1.9165 -1.8559 -1.8558 -1.3730 -1.3730 -1.2019 -1.2019 -1.1745 -1.1744 -1.1225 -1.1224 -0.8197 -0.8197 -0.6982 -0.6982 3.1888 3.1888 3.8905 3.8905 5.5436 5.5436 6.0749 6.0749 11.1694 11.1694 11.7078 11.7078 12.5897 12.5897 k = 0.5000 0.0509 0.5403 ( 8946 PWs) bands (ev): -39.2299 -39.2299 -39.2269 -39.2269 -2.1054 -2.1053 -2.0718 -2.0717 -1.9188 -1.9187 -1.8556 -1.8554 -1.3742 -1.3742 -1.2067 -1.2067 -1.1729 -1.1728 -1.1169 -1.1168 -0.8206 -0.8205 -0.6997 -0.6997 3.1168 3.1168 3.9373 3.9373 5.5448 5.5448 6.1587 6.1587 11.1058 11.1058 11.7117 11.7117 12.5985 12.5985 k = 0.5000 0.0594 0.5283 ( 8942 PWs) bands (ev): -39.2301 -39.2301 -39.2267 -39.2267 -2.1048 -2.1047 -2.0709 -2.0708 -1.9212 -1.9210 -1.8553 -1.8552 -1.3757 -1.3757 -1.2117 -1.2117 -1.1708 -1.1707 -1.1112 -1.1110 -0.8215 -0.8215 -0.7015 -0.7015 3.0465 3.0465 3.9751 3.9751 5.5606 5.5606 6.2461 6.2461 11.0435 11.0435 11.6991 11.6991 12.6267 12.6267 k = 0.5000 0.0679 0.5163 ( 8950 PWs) bands (ev): -39.2304 -39.2304 -39.2264 -39.2264 -2.1040 -2.1039 -2.0699 -2.0698 -1.9237 -1.9236 -1.8553 -1.8552 -1.3775 -1.3775 -1.2167 -1.2167 -1.1683 -1.1682 -1.1052 -1.1051 -0.8227 -0.8226 -0.7036 -0.7036 2.9781 2.9781 4.0031 4.0031 5.5915 5.5915 6.3368 6.3368 10.9827 10.9827 11.6719 11.6719 12.6720 12.6720 k = 0.5000 0.0764 0.5043 ( 8948 PWs) bands (ev): -39.2306 -39.2306 -39.2262 -39.2262 -2.1031 -2.1030 -2.0687 -2.0686 -1.9264 -1.9263 -1.8555 -1.8553 -1.3796 -1.3795 -1.2217 -1.2216 -1.1654 -1.1653 -1.0991 -1.0990 -0.8239 -0.8238 -0.7061 -0.7061 2.9120 2.9120 4.0212 4.0212 5.6378 5.6378 6.4306 6.4306 10.9237 10.9237 11.6332 11.6332 12.7312 12.7312 k = 0.5000 0.0849 0.4923 ( 8938 PWs) bands (ev): -39.2308 -39.2308 -39.2260 -39.2260 -2.1021 -2.1020 -2.0674 -2.0673 -1.9292 -1.9291 -1.8559 -1.8558 -1.3819 -1.3819 -1.2263 -1.2262 -1.1623 -1.1622 -1.0929 -1.0928 -0.8252 -0.8251 -0.7089 -0.7089 2.8481 2.8481 4.0299 4.0299 5.6989 5.6989 6.5270 6.5270 10.8666 10.8666 11.5859 11.5859 12.8008 12.8008 k = 0.5000 0.0934 0.4803 ( 8946 PWs) bands (ev): -39.2310 -39.2310 -39.2257 -39.2257 -2.1009 -2.1008 -2.0659 -2.0658 -1.9321 -1.9320 -1.8566 -1.8565 -1.3846 -1.3846 -1.2307 -1.2306 -1.1590 -1.1589 -1.0865 -1.0864 -0.8267 -0.8266 -0.7121 -0.7120 2.7867 2.7867 4.0302 4.0302 5.7739 5.7739 6.6260 6.6260 10.8114 10.8114 11.5323 11.5323 12.8777 12.8777 k = 0.5000 0.1019 0.4683 ( 8950 PWs) bands (ev): -39.2313 -39.2313 -39.2255 -39.2255 -2.0996 -2.0995 -2.0643 -2.0642 -1.9351 -1.9350 -1.8577 -1.8576 -1.3876 -1.3876 -1.2348 -1.2347 -1.1555 -1.1555 -1.0800 -1.0799 -0.8282 -0.8281 -0.7156 -0.7155 2.7279 2.7279 4.0233 4.0233 5.8615 5.8615 6.7273 6.7273 10.7583 10.7583 11.4743 11.4743 12.9591 12.9591 k = 0.5000 0.1104 0.4563 ( 8946 PWs) bands (ev): -39.2315 -39.2315 -39.2253 -39.2253 -2.0982 -2.0981 -2.0625 -2.0624 -1.9381 -1.9380 -1.8590 -1.8590 -1.3909 -1.3909 -1.2385 -1.2384 -1.1519 -1.1518 -1.0732 -1.0732 -0.8298 -0.8297 -0.7194 -0.7194 2.6717 2.6717 4.0105 4.0105 5.9603 5.9603 6.8308 6.8308 10.7072 10.7072 11.4131 11.4131 13.0421 13.0421 k = 0.5000 0.1189 0.4443 ( 8946 PWs) bands (ev): -39.2317 -39.2317 -39.2251 -39.2251 -2.0966 -2.0965 -2.0606 -2.0605 -1.9411 -1.9410 -1.8608 -1.8607 -1.3945 -1.3945 -1.2418 -1.2417 -1.1482 -1.1481 -1.0663 -1.0663 -0.8315 -0.8314 -0.7237 -0.7237 2.6181 2.6181 3.9933 3.9933 6.0689 6.0689 6.9362 6.9362 10.6584 10.6584 11.3495 11.3495 13.1239 13.1239 k = 0.5000 0.1274 0.4323 ( 8940 PWs) bands (ev): -39.2319 -39.2319 -39.2249 -39.2249 -2.0949 -2.0948 -2.0585 -2.0584 -1.9442 -1.9441 -1.8629 -1.8629 -1.3984 -1.3984 -1.2448 -1.2447 -1.1444 -1.1444 -1.0592 -1.0591 -0.8332 -0.8332 -0.7283 -0.7283 2.5673 2.5673 3.9726 3.9726 6.1862 6.1862 7.0433 7.0433 10.6117 10.6117 11.2841 11.2841 13.2004 13.2004 k = 0.5000 0.1358 0.4203 ( 8940 PWs) bands (ev): -39.2321 -39.2321 -39.2247 -39.2247 -2.0930 -2.0929 -2.0562 -2.0562 -1.9472 -1.9472 -1.8654 -1.8654 -1.4024 -1.4024 -1.2474 -1.2473 -1.1406 -1.1405 -1.0519 -1.0518 -0.8350 -0.8350 -0.7333 -0.7332 2.5192 2.5192 3.9496 3.9496 6.3111 6.3111 7.1521 7.1521 10.5672 10.5672 11.2172 11.2172 13.2658 13.2658 k = 0.5000 0.1443 0.4082 ( 8942 PWs) bands (ev): -39.2322 -39.2322 -39.2245 -39.2245 -2.0909 -2.0909 -2.0538 -2.0538 -1.9503 -1.9503 -1.8683 -1.8682 -1.4066 -1.4066 -1.2496 -1.2495 -1.1367 -1.1367 -1.0443 -1.0443 -0.8369 -0.8368 -0.7386 -0.7386 2.4739 2.4739 3.9251 3.9251 6.4426 6.4426 7.2624 7.2624 10.5250 10.5250 11.1490 11.1490 13.3021 13.3021 k = 0.5000 0.1528 0.3962 ( 8942 PWs) bands (ev): -39.2324 -39.2324 -39.2244 -39.2244 -2.0887 -2.0887 -2.0513 -2.0512 -1.9534 -1.9533 -1.8716 -1.8715 -1.4109 -1.4109 -1.2516 -1.2515 -1.1329 -1.1329 -1.0366 -1.0366 -0.8387 -0.8387 -0.7443 -0.7443 2.4313 2.4313 3.8998 3.8998 6.5800 6.5800 7.3738 7.3738 10.4850 10.4850 11.0796 11.0796 13.1557 13.1557 k = 0.5000 0.1613 0.3842 ( 8940 PWs) bands (ev): -39.2326 -39.2326 -39.2242 -39.2242 -2.0864 -2.0864 -2.0486 -2.0485 -1.9564 -1.9564 -1.8751 -1.8751 -1.4153 -1.4153 -1.2533 -1.2532 -1.1291 -1.1291 -1.0287 -1.0286 -0.8406 -0.8406 -0.7503 -0.7503 2.3914 2.3914 3.8743 3.8743 6.7225 6.7225 7.4863 7.4863 10.4473 10.4473 11.0089 11.0089 12.9440 12.9440 k = 0.5000 0.1698 0.3722 ( 8938 PWs) bands (ev): -39.2327 -39.2327 -39.2241 -39.2241 -2.0840 -2.0839 -2.0457 -2.0457 -1.9594 -1.9594 -1.8791 -1.8790 -1.4196 -1.4196 -1.2548 -1.2547 -1.1253 -1.1253 -1.0205 -1.0205 -0.8425 -0.8424 -0.7567 -0.7567 2.3543 2.3543 3.8491 3.8491 6.8695 6.8695 7.5995 7.5995 10.4118 10.4118 10.9371 10.9371 12.7256 12.7256 k = 0.5000 0.1783 0.3602 ( 8930 PWs) bands (ev): -39.2329 -39.2329 -39.2239 -39.2239 -2.0814 -2.0813 -2.0427 -2.0427 -1.9624 -1.9624 -1.8833 -1.8832 -1.4238 -1.4238 -1.2561 -1.2560 -1.1217 -1.1216 -1.0122 -1.0122 -0.8443 -0.8443 -0.7634 -0.7634 2.3200 2.3200 3.8244 3.8244 7.0205 7.0205 7.7133 7.7133 10.3786 10.3786 10.8640 10.8640 12.5053 12.5053 k = 0.5000 0.1868 0.3482 ( 8934 PWs) bands (ev): -39.2330 -39.2330 -39.2238 -39.2238 -2.0787 -2.0787 -2.0396 -2.0395 -1.9654 -1.9653 -1.8878 -1.8877 -1.4279 -1.4279 -1.2572 -1.2572 -1.1181 -1.1181 -1.0037 -1.0037 -0.8462 -0.8461 -0.7703 -0.7703 2.2883 2.2883 3.8008 3.8008 7.1748 7.1748 7.8273 7.8273 10.3475 10.3475 10.7897 10.7897 12.2851 12.2851 k = 0.5000 0.1953 0.3362 ( 8938 PWs) bands (ev): -39.2331 -39.2331 -39.2236 -39.2236 -2.0760 -2.0760 -2.0363 -2.0363 -1.9683 -1.9682 -1.8925 -1.8924 -1.4319 -1.4319 -1.2582 -1.2582 -1.1146 -1.1146 -0.9951 -0.9951 -0.8480 -0.8479 -0.7776 -0.7776 2.2592 2.2592 3.7783 3.7783 7.3319 7.3319 7.9412 7.9412 10.3186 10.3186 10.7141 10.7141 12.0665 12.0665 k = 0.5000 0.2038 0.3242 ( 8946 PWs) bands (ev): -39.2333 -39.2333 -39.2235 -39.2235 -2.0733 -2.0733 -2.0329 -2.0328 -1.9711 -1.9710 -1.8973 -1.8973 -1.4356 -1.4356 -1.2591 -1.2591 -1.1113 -1.1113 -0.9865 -0.9864 -0.8497 -0.8497 -0.7850 -0.7850 2.2329 2.2329 3.7572 3.7572 7.4910 7.4910 8.0546 8.0546 10.2917 10.2917 10.6375 10.6375 11.8505 11.8505 k = 0.5000 0.2123 0.3122 ( 8938 PWs) bands (ev): -39.2334 -39.2334 -39.2234 -39.2234 -2.0706 -2.0705 -2.0293 -2.0293 -1.9738 -1.9738 -1.9023 -1.9023 -1.4390 -1.4390 -1.2599 -1.2599 -1.1082 -1.1082 -0.9777 -0.9777 -0.8514 -0.8513 -0.7926 -0.7926 2.2091 2.2091 3.7378 3.7378 7.6514 7.6514 8.1670 8.1670 10.2666 10.2666 10.5601 10.5601 11.6383 11.6383 k = 0.5000 0.2208 0.3002 ( 8938 PWs) bands (ev): -39.2335 -39.2335 -39.2233 -39.2233 -2.0679 -2.0679 -2.0257 -2.0257 -1.9765 -1.9764 -1.9074 -1.9074 -1.4421 -1.4421 -1.2606 -1.2606 -1.1052 -1.1052 -0.9689 -0.9689 -0.8529 -0.8529 -0.8003 -0.8003 2.1880 2.1880 3.7200 3.7200 7.8119 7.8119 8.2780 8.2780 10.2432 10.2432 10.4824 10.4824 11.4310 11.4310 k = 0.5000 0.2292 0.2882 ( 8938 PWs) bands (ev): -39.2336 -39.2336 -39.2232 -39.2232 -2.0653 -2.0653 -2.0220 -2.0220 -1.9790 -1.9790 -1.9124 -1.9124 -1.4450 -1.4450 -1.2612 -1.2612 -1.1026 -1.1026 -0.9603 -0.9602 -0.8544 -0.8544 -0.8081 -0.8081 2.1694 2.1694 3.7041 3.7041 7.9709 7.9709 8.3869 8.3869 10.2210 10.2210 10.4054 10.4054 11.2302 11.2302 k = 0.5000 0.2377 0.2762 ( 8936 PWs) bands (ev): -39.2336 -39.2336 -39.2232 -39.2232 -2.0629 -2.0629 -2.0184 -2.0183 -1.9814 -1.9813 -1.9173 -1.9172 -1.4474 -1.4474 -1.2618 -1.2618 -1.1002 -1.1002 -0.9517 -0.9517 -0.8558 -0.8557 -0.8158 -0.8158 2.1533 2.1533 3.6902 3.6902 8.1262 8.1262 8.4930 8.4930 10.1991 10.1991 10.3302 10.3302 11.0382 11.0382 k = 0.5000 0.2462 0.2642 ( 8936 PWs) bands (ev): -39.2337 -39.2337 -39.2231 -39.2231 -2.0607 -2.0607 -2.0147 -2.0146 -1.9837 -1.9836 -1.9218 -1.9218 -1.4496 -1.4496 -1.2623 -1.2622 -1.0981 -1.0981 -0.9435 -0.9435 -0.8570 -0.8570 -0.8233 -0.8233 2.1398 2.1398 3.6783 3.6783 8.2742 8.2742 8.5958 8.5958 10.1763 10.1763 10.2588 10.2588 10.8584 10.8584 k = 0.5000 0.2547 0.2522 ( 8938 PWs) bands (ev): -39.2338 -39.2338 -39.2230 -39.2230 -2.0588 -2.0588 -2.0113 -2.0112 -1.9857 -1.9856 -1.9260 -1.9260 -1.4513 -1.4513 -1.2626 -1.2626 -1.0964 -1.0964 -0.9357 -0.9357 -0.8582 -0.8581 -0.8303 -0.8303 2.1287 2.1287 3.6684 3.6684 8.4096 8.4096 8.6945 8.6945 10.1494 10.1494 10.1945 10.1945 10.6966 10.6966 k = 0.5000 0.2632 0.2401 ( 8932 PWs) bands (ev): -39.2338 -39.2338 -39.2230 -39.2230 -2.0572 -2.0572 -2.0082 -2.0080 -1.9875 -1.9874 -1.9296 -1.9296 -1.4527 -1.4527 -1.2629 -1.2629 -1.0950 -1.0950 -0.9287 -0.9287 -0.8592 -0.8592 -0.8366 -0.8366 2.1201 2.1201 3.6607 3.6607 8.5251 8.5251 8.7876 8.7876 10.1143 10.1143 10.1419 10.1419 10.5611 10.5611 k = 0.5000 0.2717 0.2281 ( 8946 PWs) bands (ev): -39.2338 -39.2338 -39.2230 -39.2230 -2.0561 -2.0561 -2.0055 -2.0054 -1.9891 -1.9889 -1.9324 -1.9324 -1.4537 -1.4537 -1.2632 -1.2631 -1.0940 -1.0940 -0.9229 -0.9229 -0.8602 -0.8602 -0.8416 -0.8416 2.1140 2.1140 3.6552 3.6552 8.6129 8.6129 8.8699 8.8699 10.0757 10.0757 10.0989 10.0989 10.4621 10.4621 k = 0.5000 0.2802 0.2161 ( 8946 PWs) bands (ev): -39.2338 -39.2338 -39.2230 -39.2230 -2.0554 -2.0554 -2.0036 -2.0036 -1.9901 -1.9901 -1.9341 -1.9341 -1.4543 -1.4543 -1.2633 -1.2633 -1.0934 -1.0934 -0.9190 -0.9190 -0.8610 -0.8610 -0.8449 -0.8449 2.1103 2.1103 3.6519 3.6519 8.6673 8.6673 8.9299 8.9299 10.0473 10.0473 10.0639 10.0639 10.4050 10.4050 k = 0.5000 0.2887 0.2041 ( 8928 PWs) bands (ev): -39.2339 -39.2339 -39.2229 -39.2229 -2.0551 -2.0551 -2.0029 -2.0029 -1.9905 -1.9905 -1.9347 -1.9347 -1.4545 -1.4545 -1.2633 -1.2633 -1.0931 -1.0931 -0.9176 -0.9176 -0.8614 -0.8614 -0.8460 -0.8460 2.1091 2.1091 3.6508 3.6508 8.6856 8.6856 8.9524 8.9524 10.0365 10.0365 10.0498 10.0498 10.3870 10.3870 k = 0.5000 0.2887 0.2041 ( 8928 PWs) bands (ev): -39.2339 -39.2339 -39.2229 -39.2229 -2.0551 -2.0551 -2.0029 -2.0029 -1.9905 -1.9905 -1.9347 -1.9347 -1.4545 -1.4545 -1.2633 -1.2633 -1.0931 -1.0931 -0.9176 -0.9176 -0.8614 -0.8614 -0.8460 -0.8460 2.1091 2.1091 3.6508 3.6508 8.6856 8.6856 8.9524 8.9524 10.0365 10.0365 10.0498 10.0498 10.3870 10.3870 k = 0.4957 0.2862 0.2182 ( 8943 PWs) bands (ev): -39.2338 -39.2338 -39.2230 -39.2230 -2.0554 -2.0554 -2.0037 -2.0036 -1.9901 -1.9901 -1.9341 -1.9341 -1.4543 -1.4543 -1.2633 -1.2633 -1.0934 -1.0934 -0.9190 -0.9190 -0.8610 -0.8610 -0.8448 -0.8448 2.1104 2.1104 3.6519 3.6519 8.6667 8.6667 8.9292 8.9292 10.0474 10.0474 10.0645 10.0645 10.4056 10.4056 k = 0.4914 0.2837 0.2323 ( 8945 PWs) bands (ev): -39.2338 -39.2338 -39.2230 -39.2230 -2.0561 -2.0561 -2.0056 -2.0055 -1.9890 -1.9889 -1.9323 -1.9323 -1.4537 -1.4537 -1.2632 -1.2631 -1.0940 -1.0940 -0.9231 -0.9231 -0.8602 -0.8602 -0.8415 -0.8415 2.1142 2.1142 3.6553 3.6553 8.6106 8.6106 8.8678 8.8678 10.0702 10.0702 10.1070 10.1070 10.4642 10.4642 k = 0.4871 0.2812 0.2464 ( 8933 PWs) bands (ev): -39.2338 -39.2338 -39.2230 -39.2230 -2.0573 -2.0573 -2.0083 -2.0082 -1.9875 -1.9873 -1.9294 -1.9294 -1.4526 -1.4526 -1.2629 -1.2629 -1.0950 -1.0950 -0.9290 -0.9290 -0.8592 -0.8592 -0.8363 -0.8363 2.1205 2.1205 3.6610 3.6610 8.5196 8.5196 8.7848 8.7848 10.0881 10.0881 10.1741 10.1741 10.5640 10.5640 k = 0.4828 0.2787 0.2604 ( 8928 PWs) bands (ev): -39.2337 -39.2337 -39.2230 -39.2230 -2.0589 -2.0589 -2.0115 -2.0114 -1.9856 -1.9855 -1.9258 -1.9258 -1.4512 -1.4512 -1.2626 -1.2626 -1.0964 -1.0964 -0.9361 -0.9361 -0.8581 -0.8581 -0.8299 -0.8299 2.1293 2.1293 3.6690 3.6690 8.3991 8.3991 8.6933 8.6933 10.0947 10.0947 10.2611 10.2611 10.6974 10.6974 k = 0.4784 0.2762 0.2745 ( 8931 PWs) bands (ev): -39.2337 -39.2337 -39.2231 -39.2231 -2.0609 -2.0609 -2.0150 -2.0149 -1.9836 -1.9835 -1.9215 -1.9215 -1.4494 -1.4494 -1.2622 -1.2622 -1.0982 -1.0982 -0.9441 -0.9441 -0.8569 -0.8569 -0.8227 -0.8227 2.1407 2.1407 3.6791 3.6791 8.2570 8.2570 8.5990 8.5990 10.0919 10.0919 10.3632 10.3632 10.8536 10.8536 k = 0.4741 0.2737 0.2886 ( 8941 PWs) bands (ev): -39.2336 -39.2336 -39.2232 -39.2232 -2.0632 -2.0631 -2.0185 -2.0185 -1.9814 -1.9813 -1.9168 -1.9168 -1.4472 -1.4472 -1.2617 -1.2617 -1.1004 -1.1004 -0.9525 -0.9525 -0.8557 -0.8557 -0.8151 -0.8151 2.1547 2.1547 3.6914 3.6914 8.1010 8.1010 8.5039 8.5039 10.0825 10.0825 10.4772 10.4772 11.0236 11.0236 k = 0.4698 0.2713 0.3027 ( 8948 PWs) bands (ev): -39.2336 -39.2336 -39.2232 -39.2232 -2.0657 -2.0656 -2.0221 -2.0221 -1.9791 -1.9790 -1.9118 -1.9118 -1.4447 -1.4447 -1.2612 -1.2611 -1.1029 -1.1029 -0.9611 -0.9611 -0.8543 -0.8543 -0.8072 -0.8072 2.1712 2.1712 3.7057 3.7057 7.9366 7.9366 8.4083 8.4083 10.0684 10.0684 10.6003 10.6003 11.2016 11.2016 k = 0.4655 0.2688 0.3167 ( 8949 PWs) bands (ev): -39.2335 -39.2335 -39.2233 -39.2233 -2.0683 -2.0683 -2.0256 -2.0256 -1.9767 -1.9766 -1.9067 -1.9066 -1.4417 -1.4417 -1.2606 -1.2605 -1.1056 -1.1056 -0.9699 -0.9699 -0.8528 -0.8528 -0.7994 -0.7994 2.1904 2.1904 3.7221 3.7221 7.7677 7.7677 8.3128 8.3128 10.0510 10.0510 10.7309 10.7309 11.3834 11.3834 k = 0.4612 0.2663 0.3308 ( 8948 PWs) bands (ev): -39.2334 -39.2334 -39.2234 -39.2234 -2.0712 -2.0711 -2.0290 -2.0290 -1.9743 -1.9742 -1.9015 -1.9014 -1.4385 -1.4385 -1.2599 -1.2598 -1.1086 -1.1086 -0.9787 -0.9787 -0.8513 -0.8513 -0.7915 -0.7915 2.2122 2.2122 3.7403 3.7403 7.5966 7.5966 8.2179 8.2179 10.0311 10.0311 10.8677 10.8677 11.5657 11.5657 k = 0.4569 0.2638 0.3449 ( 8948 PWs) bands (ev): -39.2333 -39.2333 -39.2235 -39.2235 -2.0741 -2.0740 -2.0321 -2.0321 -1.9719 -1.9718 -1.8963 -1.8963 -1.4349 -1.4349 -1.2591 -1.2590 -1.1119 -1.1119 -0.9875 -0.9875 -0.8497 -0.8496 -0.7838 -0.7838 2.2367 2.2367 3.7603 3.7603 7.4249 7.4249 8.1241 8.1241 10.0095 10.0095 11.0097 11.0097 11.7457 11.7457 k = 0.4526 0.2613 0.3590 ( 8946 PWs) bands (ev): -39.2331 -39.2331 -39.2237 -39.2237 -2.0770 -2.0770 -2.0350 -2.0350 -1.9695 -1.9695 -1.8913 -1.8913 -1.4310 -1.4310 -1.2582 -1.2581 -1.1153 -1.1153 -0.9961 -0.9961 -0.8480 -0.8480 -0.7763 -0.7763 2.2639 2.2639 3.7819 3.7819 7.2539 7.2539 8.0316 8.0316 9.9866 9.9866 11.1563 11.1563 11.9207 11.9207 k = 0.4483 0.2588 0.3731 ( 8950 PWs) bands (ev): -39.2330 -39.2330 -39.2238 -39.2238 -2.0799 -2.0799 -2.0377 -2.0377 -1.9672 -1.9672 -1.8865 -1.8864 -1.4269 -1.4269 -1.2572 -1.2571 -1.1190 -1.1189 -1.0046 -1.0046 -0.8463 -0.8462 -0.7691 -0.7691 2.2938 2.2938 3.8049 3.8049 7.0845 7.0845 7.9410 7.9410 9.9628 9.9628 11.3071 11.3071 12.0874 12.0874 k = 0.4440 0.2563 0.3871 ( 8952 PWs) bands (ev): -39.2329 -39.2329 -39.2239 -39.2239 -2.0828 -2.0827 -2.0401 -2.0401 -1.9650 -1.9650 -1.8819 -1.8818 -1.4225 -1.4225 -1.2561 -1.2560 -1.1228 -1.1227 -1.0128 -1.0128 -0.8445 -0.8445 -0.7621 -0.7621 2.3265 2.3265 3.8291 3.8291 6.9174 6.9174 7.8523 7.8523 9.9385 9.9385 11.4616 11.4616 12.2423 12.2423 k = 0.4397 0.2538 0.4012 ( 8946 PWs) bands (ev): -39.2327 -39.2327 -39.2241 -39.2241 -2.0856 -2.0855 -2.0422 -2.0422 -1.9629 -1.9629 -1.8776 -1.8775 -1.4180 -1.4180 -1.2549 -1.2548 -1.1267 -1.1267 -1.0207 -1.0207 -0.8428 -0.8428 -0.7555 -0.7555 2.3619 2.3619 3.8541 3.8541 6.7533 6.7533 7.7658 7.7658 9.9140 9.9140 11.6196 11.6196 12.3809 12.3809 k = 0.4353 0.2513 0.4153 ( 8952 PWs) bands (ev): -39.2326 -39.2326 -39.2242 -39.2242 -2.0883 -2.0882 -2.0441 -2.0441 -1.9609 -1.9609 -1.8736 -1.8736 -1.4133 -1.4133 -1.2535 -1.2534 -1.1309 -1.1309 -1.0282 -1.0282 -0.8411 -0.8411 -0.7492 -0.7492 2.4001 2.4001 3.8796 3.8796 6.5929 6.5929 7.6818 7.6818 9.8896 9.8896 11.7808 11.7808 12.4974 12.4974 k = 0.4310 0.2489 0.4294 ( 8946 PWs) bands (ev): -39.2324 -39.2324 -39.2244 -39.2244 -2.0908 -2.0907 -2.0457 -2.0456 -1.9590 -1.9590 -1.8701 -1.8700 -1.4085 -1.4084 -1.2519 -1.2518 -1.1352 -1.1351 -1.0353 -1.0353 -0.8395 -0.8394 -0.7433 -0.7433 2.4411 2.4411 3.9052 3.9052 6.4369 6.4369 7.6004 7.6004 9.8654 9.8654 11.9452 11.9452 12.5852 12.5852 k = 0.4267 0.2464 0.4434 ( 8947 PWs) bands (ev): -39.2322 -39.2322 -39.2246 -39.2246 -2.0931 -2.0930 -2.0470 -2.0470 -1.9573 -1.9573 -1.8669 -1.8668 -1.4036 -1.4036 -1.2501 -1.2500 -1.1396 -1.1396 -1.0420 -1.0420 -0.8379 -0.8379 -0.7378 -0.7378 2.4848 2.4848 3.9302 3.9302 6.2862 6.2862 7.5218 7.5218 9.8416 9.8416 12.1124 12.1124 12.6377 12.6377 k = 0.4224 0.2439 0.4575 ( 8943 PWs) bands (ev): -39.2320 -39.2320 -39.2248 -39.2248 -2.0952 -2.0951 -2.0481 -2.0481 -1.9557 -1.9557 -1.8642 -1.8641 -1.3987 -1.3987 -1.2480 -1.2479 -1.1443 -1.1442 -1.0482 -1.0481 -0.8364 -0.8363 -0.7328 -0.7328 2.5313 2.5313 3.9539 3.9539 6.1416 6.1416 7.4460 7.4460 9.8184 9.8184 12.2822 12.2822 12.6515 12.6515 k = 0.4181 0.2414 0.4716 ( 8945 PWs) bands (ev): -39.2318 -39.2318 -39.2250 -39.2250 -2.0971 -2.0970 -2.0490 -2.0489 -1.9543 -1.9543 -1.8620 -1.8619 -1.3939 -1.3939 -1.2457 -1.2456 -1.1491 -1.1490 -1.0538 -1.0537 -0.8349 -0.8349 -0.7282 -0.7282 2.5804 2.5804 3.9754 3.9754 6.0042 6.0042 7.3732 7.3732 9.7959 9.7959 12.4540 12.4540 12.6295 12.6295 k = 0.4138 0.2389 0.4857 ( 8947 PWs) bands (ev): -39.2316 -39.2316 -39.2251 -39.2251 -2.0987 -2.0986 -2.0496 -2.0496 -1.9530 -1.9530 -1.8603 -1.8602 -1.3892 -1.3892 -1.2430 -1.2429 -1.1541 -1.1540 -1.0588 -1.0588 -0.8336 -0.8335 -0.7241 -0.7241 2.6320 2.6320 3.9936 3.9936 5.8755 5.8755 7.3036 7.3036 9.7743 9.7743 12.5678 12.5678 12.6383 12.6383 k = 0.4095 0.2364 0.4998 ( 8950 PWs) bands (ev): -39.2314 -39.2314 -39.2254 -39.2254 -2.1000 -2.1000 -2.0501 -2.0500 -1.9519 -1.9519 -1.8590 -1.8589 -1.3846 -1.3846 -1.2399 -1.2398 -1.1592 -1.1592 -1.0632 -1.0632 -0.8323 -0.8323 -0.7205 -0.7205 2.6861 2.6861 4.0070 4.0070 5.7569 5.7569 7.2371 7.2371 9.7537 9.7537 12.4983 12.4983 12.8115 12.8115 k = 0.4052 0.2339 0.5138 ( 8960 PWs) bands (ev): -39.2312 -39.2312 -39.2256 -39.2256 -2.1011 -2.1011 -2.0503 -2.0503 -1.9510 -1.9510 -1.8583 -1.8582 -1.3803 -1.3802 -1.2365 -1.2364 -1.1645 -1.1644 -1.0669 -1.0669 -0.8312 -0.8312 -0.7175 -0.7175 2.7424 2.7424 4.0143 4.0143 5.6504 5.6504 7.1739 7.1739 9.7340 9.7340 12.4098 12.4098 12.9917 12.9917 k = 0.4009 0.2314 0.5279 ( 8968 PWs) bands (ev): -39.2310 -39.2310 -39.2258 -39.2258 -2.1020 -2.1019 -2.0504 -2.0503 -1.9502 -1.9502 -1.8581 -1.8580 -1.3762 -1.3761 -1.2327 -1.2326 -1.1699 -1.1698 -1.0701 -1.0701 -0.8302 -0.8302 -0.7149 -0.7149 2.8006 2.8006 4.0137 4.0137 5.5579 5.5579 7.1140 7.1140 9.7155 9.7155 12.3115 12.3115 13.1748 13.1748 k = 0.3966 0.2289 0.5420 ( 8968 PWs) bands (ev): -39.2308 -39.2308 -39.2260 -39.2260 -2.1025 -2.1024 -2.0503 -2.0502 -1.9497 -1.9497 -1.8584 -1.8583 -1.3723 -1.3723 -1.2286 -1.2285 -1.1753 -1.1752 -1.0726 -1.0726 -0.8294 -0.8294 -0.7129 -0.7129 2.8601 2.8601 4.0038 4.0038 5.4814 5.4814 7.0576 7.0576 9.6981 9.6981 12.2072 12.2072 13.3604 13.3604 k = 0.3922 0.2265 0.5561 ( 8966 PWs) bands (ev): -39.2306 -39.2306 -39.2262 -39.2262 -2.1028 -2.1027 -2.0500 -2.0499 -1.9493 -1.9493 -1.8591 -1.8590 -1.3688 -1.3688 -1.2243 -1.2242 -1.1807 -1.1806 -1.0745 -1.0744 -0.8287 -0.8287 -0.7114 -0.7114 2.9201 2.9201 3.9841 3.9841 5.4224 5.4224 7.0047 7.0047 9.6820 9.6820 12.0994 12.0994 13.5485 13.5485 k = 0.3879 0.2240 0.5701 ( 8958 PWs) bands (ev): -39.2304 -39.2304 -39.2263 -39.2263 -2.1028 -2.1027 -2.0496 -2.0495 -1.9491 -1.9491 -1.8602 -1.8601 -1.3656 -1.3656 -1.2199 -1.2197 -1.1858 -1.1857 -1.0757 -1.0757 -0.8282 -0.8282 -0.7104 -0.7104 2.9794 2.9794 3.9548 3.9548 5.3817 5.3817 6.9554 6.9554 9.6671 9.6671 11.9897 11.9897 13.7390 13.7390 k = 0.3836 0.2215 0.5842 ( 8960 PWs) bands (ev): -39.2303 -39.2303 -39.2265 -39.2265 -2.1025 -2.1024 -2.0490 -2.0490 -1.9491 -1.9491 -1.8617 -1.8616 -1.3628 -1.3627 -1.2158 -1.2157 -1.1902 -1.1902 -1.0764 -1.0763 -0.8278 -0.8278 -0.7100 -0.7100 3.0359 3.0359 3.9184 3.9184 5.3593 5.3593 6.9097 6.9097 9.6536 9.6536 11.8794 11.8794 13.9318 13.9318 k = 0.3793 0.2190 0.5983 ( 8962 PWs) bands (ev): -39.2301 -39.2301 -39.2267 -39.2267 -2.1020 -2.1019 -2.0483 -2.0483 -1.9494 -1.9493 -1.8636 -1.8634 -1.3603 -1.3602 -1.2132 -1.2130 -1.1930 -1.1929 -1.0764 -1.0764 -0.8277 -0.8276 -0.7101 -0.7101 3.0862 3.0862 3.8792 3.8792 5.3538 5.3538 6.8677 6.8677 9.6414 9.6414 11.7692 11.7692 14.1267 14.1267 k = 0.3750 0.2165 0.6124 ( 8970 PWs) bands (ev): -39.2300 -39.2300 -39.2268 -39.2268 -2.1012 -2.1011 -2.0476 -2.0475 -1.9499 -1.9498 -1.8656 -1.8655 -1.3581 -1.3581 -1.2135 -1.2134 -1.1925 -1.1925 -1.0758 -1.0758 -0.8277 -0.8276 -0.7107 -0.7107 3.1253 3.1253 3.8442 3.8442 5.3635 5.3635 6.8295 6.8295 9.6306 9.6306 11.6597 11.6597 14.3182 14.3190 k = 0.6250-0.0722 0.4082 ( 8970 PWs) bands (ev): -39.2300 -39.2300 -39.2268 -39.2268 -2.1012 -2.1011 -2.0476 -2.0475 -1.9499 -1.9498 -1.8656 -1.8655 -1.3581 -1.3581 -1.2135 -1.2134 -1.1925 -1.1925 -1.0758 -1.0758 -0.8277 -0.8276 -0.7107 -0.7107 3.1253 3.1253 3.8442 3.8442 5.3635 5.3635 6.8295 6.8295 9.6306 9.6306 11.6597 11.6597 14.3184 14.3186 k = 0.6176-0.0849 0.4082 ( 8966 PWs) bands (ev): -39.2298 -39.2298 -39.2270 -39.2270 -2.0995 -2.0994 -2.0462 -2.0461 -1.9509 -1.9509 -1.8697 -1.8695 -1.3547 -1.3546 -1.2180 -1.2180 -1.1873 -1.1873 -1.0743 -1.0743 -0.8277 -0.8277 -0.7125 -0.7125 3.1756 3.1756 3.7946 3.7946 5.3964 5.3964 6.7691 6.7691 9.6139 9.6139 11.4742 11.4742 14.4563 14.4564 k = 0.6103-0.0976 0.4082 ( 8974 PWs) bands (ev): -39.2297 -39.2297 -39.2271 -39.2271 -2.0973 -2.0972 -2.0448 -2.0448 -1.9520 -1.9520 -1.8743 -1.8742 -1.3511 -1.3511 -1.2235 -1.2235 -1.1807 -1.1807 -1.0730 -1.0729 -0.8277 -0.8276 -0.7149 -0.7149 3.2199 3.2199 3.7483 3.7483 5.4381 5.4381 6.7122 6.7122 9.5983 9.5983 11.2900 11.2900 14.5956 14.5957 k = 0.6029-0.1104 0.4082 ( 8946 PWs) bands (ev): -39.2295 -39.2295 -39.2273 -39.2273 -2.0946 -2.0946 -2.0435 -2.0435 -1.9531 -1.9531 -1.8795 -1.8794 -1.3474 -1.3474 -1.2292 -1.2292 -1.1736 -1.1735 -1.0717 -1.0717 -0.8274 -0.8274 -0.7178 -0.7178 3.2583 3.2583 3.7052 3.7052 5.4879 5.4879 6.6587 6.6587 9.5837 9.5837 11.1083 11.1083 14.7359 14.7360 k = 0.5956-0.1231 0.4082 ( 8952 PWs) bands (ev): -39.2293 -39.2293 -39.2274 -39.2274 -2.0916 -2.0915 -2.0423 -2.0423 -1.9541 -1.9541 -1.8852 -1.8851 -1.3437 -1.3436 -1.2347 -1.2347 -1.1663 -1.1662 -1.0707 -1.0707 -0.8269 -0.8268 -0.7212 -0.7212 3.2911 3.2911 3.6653 3.6653 5.5453 5.5453 6.6086 6.6086 9.5703 9.5703 10.9299 10.9299 14.8766 14.8768 k = 0.5882-0.1358 0.4082 ( 8964 PWs) bands (ev): -39.2292 -39.2292 -39.2276 -39.2276 -2.0881 -2.0880 -2.0412 -2.0411 -1.9552 -1.9552 -1.8913 -1.8912 -1.3398 -1.3398 -1.2401 -1.2401 -1.1588 -1.1587 -1.0699 -1.0698 -0.8261 -0.8261 -0.7251 -0.7251 3.3186 3.3186 3.6284 3.6285 5.6091 5.6091 6.5621 6.5621 9.5578 9.5578 10.7559 10.7559 15.0176 15.0177 k = 0.5809-0.1486 0.4082 ( 8968 PWs) bands (ev): -39.2291 -39.2291 -39.2277 -39.2277 -2.0843 -2.0842 -2.0401 -2.0401 -1.9562 -1.9562 -1.8979 -1.8978 -1.3359 -1.3359 -1.2452 -1.2452 -1.1514 -1.1513 -1.0693 -1.0692 -0.8251 -0.8250 -0.7294 -0.7294 3.3414 3.3414 3.5947 3.5947 5.6781 5.6781 6.5191 6.5191 9.5465 9.5465 10.5873 10.5873 15.1579 15.1580 k = 0.5735-0.1613 0.4082 ( 8978 PWs) bands (ev): -39.2290 -39.2290 -39.2278 -39.2278 -2.0800 -2.0799 -2.0391 -2.0391 -1.9571 -1.9571 -1.9048 -1.9047 -1.3320 -1.3319 -1.2501 -1.2501 -1.1441 -1.1440 -1.0689 -1.0689 -0.8237 -0.8237 -0.7341 -0.7341 3.3600 3.3600 3.5640 3.5640 5.7511 5.7511 6.4797 6.4797 9.5361 9.5361 10.4251 10.4251 15.2968 15.2968 k = 0.5662-0.1741 0.4082 ( 8966 PWs) bands (ev): -39.2289 -39.2289 -39.2279 -39.2279 -2.0755 -2.0754 -2.0382 -2.0382 -1.9580 -1.9580 -1.9119 -1.9118 -1.3280 -1.3279 -1.2549 -1.2548 -1.1369 -1.1368 -1.0689 -1.0688 -0.8220 -0.8219 -0.7391 -0.7391 3.3749 3.3749 3.5364 3.5364 5.8265 5.8265 6.4439 6.4439 9.5268 9.5268 10.2705 10.2705 15.4331 15.4332 k = 0.5588-0.1868 0.4082 ( 8968 PWs) bands (ev): -39.2288 -39.2288 -39.2280 -39.2280 -2.0706 -2.0705 -2.0374 -2.0374 -1.9588 -1.9588 -1.9191 -1.9190 -1.3240 -1.3239 -1.2594 -1.2594 -1.1298 -1.1297 -1.0691 -1.0691 -0.8199 -0.8198 -0.7444 -0.7444 3.3867 3.3867 3.5118 3.5118 5.9024 5.9024 6.4118 6.4118 9.5184 9.5184 10.1249 10.1249 15.5654 15.5655 k = 0.5515-0.1995 0.4082 ( 8964 PWs) bands (ev): -39.2287 -39.2287 -39.2281 -39.2281 -2.0656 -2.0655 -2.0367 -2.0367 -1.9595 -1.9595 -1.9263 -1.9262 -1.3200 -1.3199 -1.2638 -1.2638 -1.1231 -1.1229 -1.0697 -1.0697 -0.8174 -0.8174 -0.7499 -0.7498 3.3960 3.3960 3.4901 3.4901 5.9772 5.9772 6.3834 6.3834 9.5111 9.5111 9.9897 9.9897 15.6917 15.6921 k = 0.5441-0.2123 0.4082 ( 8960 PWs) bands (ev): -39.2286 -39.2286 -39.2282 -39.2282 -2.0605 -2.0604 -2.0361 -2.0361 -1.9602 -1.9602 -1.9334 -1.9334 -1.3160 -1.3159 -1.2681 -1.2681 -1.1166 -1.1164 -1.0707 -1.0706 -0.8145 -0.8145 -0.7555 -0.7555 3.4031 3.4031 3.4714 3.4714 6.0487 6.0487 6.3587 6.3587 9.5048 9.5048 9.8665 9.8665 15.8096 15.8101 k = 0.5368-0.2250 0.4082 ( 8968 PWs) bands (ev): -39.2285 -39.2285 -39.2283 -39.2283 -2.0554 -2.0553 -2.0357 -2.0356 -1.9607 -1.9607 -1.9403 -1.9402 -1.3120 -1.3120 -1.2723 -1.2723 -1.1104 -1.1103 -1.0721 -1.0720 -0.8113 -0.8112 -0.7613 -0.7613 3.4084 3.4084 3.4556 3.4556 6.1147 6.1147 6.3378 6.3378 9.4994 9.4994 9.7573 9.7573 15.9162 15.9163 k = 0.5294-0.2377 0.4082 ( 8964 PWs) bands (ev): -39.2285 -39.2285 -39.2283 -39.2283 -2.0504 -2.0503 -2.0353 -2.0353 -1.9612 -1.9612 -1.9466 -1.9465 -1.3080 -1.3080 -1.2764 -1.2764 -1.1046 -1.1045 -1.0739 -1.0738 -0.8076 -0.8076 -0.7670 -0.7670 3.4124 3.4124 3.4427 3.4427 6.1731 6.1731 6.3207 6.3207 9.4951 9.4951 9.6640 9.6640 16.0080 16.0085 k = 0.5221-0.2505 0.4082 ( 8962 PWs) bands (ev): -39.2284 -39.2284 -39.2283 -39.2283 -2.0459 -2.0458 -2.0352 -2.0351 -1.9615 -1.9615 -1.9521 -1.9521 -1.3041 -1.3040 -1.2804 -1.2804 -1.0992 -1.0991 -1.0761 -1.0760 -0.8035 -0.8035 -0.7728 -0.7728 3.4152 3.4152 3.4326 3.4326 6.2215 6.2215 6.3073 6.3073 9.4917 9.4917 9.5887 9.5887 16.0823 16.0827 k = 0.5147-0.2632 0.4082 ( 8976 PWs) bands (ev): -39.2284 -39.2284 -39.2284 -39.2284 -2.0420 -2.0419 -2.0353 -2.0353 -1.9617 -1.9617 -1.9566 -1.9565 -1.3001 -1.3001 -1.2844 -1.2844 -1.0942 -1.0941 -1.0788 -1.0787 -0.7991 -0.7991 -0.7785 -0.7785 3.4170 3.4170 3.4255 3.4255 6.2579 6.2579 6.2977 6.2977 9.4893 9.4893 9.5332 9.5332 16.1369 16.1374 k = 0.5074-0.2759 0.4082 ( 8978 PWs) bands (ev): -39.2284 -39.2284 -39.2284 -39.2284 -2.0390 -2.0389 -2.0359 -2.0358 -1.9617 -1.9616 -1.9596 -1.9595 -1.2962 -1.2962 -1.2883 -1.2883 -1.0896 -1.0895 -1.0820 -1.0819 -0.7944 -0.7943 -0.7840 -0.7840 3.4182 3.4182 3.4211 3.4211 6.2805 6.2805 6.2919 6.2919 9.4878 9.4878 9.4992 9.4992 16.1708 16.1750 k = 0.5000-0.2887 0.4082 ( 8984 PWs) bands (ev): -39.2284 -39.2284 -39.2284 -39.2284 -2.0370 -2.0370 -2.0369 -2.0369 -1.9612 -1.9612 -1.9611 -1.9611 -1.2923 -1.2923 -1.2922 -1.2922 -1.0856 -1.0856 -1.0855 -1.0855 -0.7893 -0.7893 -0.7893 -0.7893 3.4191 3.4191 3.4191 3.4191 6.2891 6.2891 6.2891 6.2891 9.4875 9.4875 9.4875 9.4875 16.1835 16.1835 Writing output data file LiCd.save init_run : 0.34s CPU 0.58s WALL ( 1 calls) electrons : 230.16s CPU 233.42s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.06s WALL ( 1 calls) potinit : 0.04s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 230.15s CPU 233.41s 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 : 0.06s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.10s WALL ( 315 calls) cegterg : 211.69s CPU 213.48s WALL ( 675 calls) Called by sum_band: Called by *egterg: h_psi : 141.39s CPU 142.66s WALL ( 11760 calls) s_psi : 4.90s CPU 4.92s WALL ( 11760 calls) g_psi : 0.35s CPU 0.44s WALL ( 10770 calls) cdiaghg : 52.63s CPU 53.27s WALL ( 11085 calls) cegterg:over : 8.73s CPU 8.71s WALL ( 10770 calls) cegterg:upda : 11.12s CPU 11.08s WALL ( 10770 calls) cegterg:last : 3.68s CPU 3.71s WALL ( 1408 calls) cdiaghg:chol : 2.95s CPU 3.15s WALL ( 11085 calls) cdiaghg:inve : 1.52s CPU 1.57s WALL ( 11085 calls) cdiaghg:para : 3.15s CPU 3.10s WALL ( 22170 calls) Called by h_psi: h_psi:vloc : 130.67s CPU 131.80s WALL ( 11760 calls) h_psi:vnl : 10.25s CPU 10.41s WALL ( 11760 calls) add_vuspsi : 4.80s CPU 4.88s WALL ( 11760 calls) General routines calbec : 5.39s CPU 5.50s WALL ( 11760 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 120.08s CPU 121.15s WALL ( 692748 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.21s CPU 0.30s WALL ( 630 calls) Parallel routines fft_scatter : 37.67s CPU 38.38s WALL ( 692771 calls) PWSCF : 4m 8.67s CPU 4m36.68s WALL This run was terminated on: 16:58:27 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=