Program PWSCF v.5.1.1 starts on 16Jul2015 at 16:28: 3 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 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./SiO2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 73 42 12 1877 822 127 Max 74 43 13 1880 846 129 Sum 2337 1353 385 60087 26565 4111 bravais-lattice index = 14 lattice parameter (alat) = 9.5294 a.u. unit-cell volume = 611.8982 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.529382 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.500000 celldm(5)= -0.500000 celldm(6)= -0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.000000 1.000000 0.000000 ) a(3) = ( -0.500000 -0.500000 0.707107 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.000000 0.707107 ) b(2) = ( 0.000000 1.000000 0.707107 ) b(3) = ( 0.000000 0.000000 1.414214 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Si read from file: /home/autes/Pseudo/Si.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: fdd4f0c14d34ff7e95251eb8672b2767 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 O 6.00 15.99940 O( 1.00) Si 4.00 28.08550 Si( 1.00) 4 Sym. Ops. (no inversion) found ( 2 have fractional translation) 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 = 2 180 deg rotation - cart. axis [1,1,0] cryst. s( 2) = ( 0 1 0 ) ( 1 0 0 ) ( -1 -1 -1 ) cart. s( 2) = ( -0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 3) = ( 1 0 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( -0.2500000 ) ( -1 -1 -1 ) ( 0.5000000 ) cart. s( 3) = ( 1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3535534 ) isym = 4 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s( 4) = ( 0 1 0 ) f =( 0.2500000 ) ( 1 0 0 ) ( -0.2500000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 4) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( 1.0000000 0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.3535534 ) double point group C_2v (mm2) there are 5 classes and 1 irreducible representations the character table: E -E C2 s_v s_v' -C2 -s_v -s_v' G_5 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 s_v -s_v 3 -3 s_v'-s_v' 4 -4 -E -1 Cartesian axes number of k points= 340 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 2) = ( 0.0000000 0.0000000 0.0157135), wk = 0.0029412 k( 3) = ( 0.0000000 0.0000000 0.0314270), wk = 0.0029412 k( 4) = ( 0.0000000 0.0000000 0.0471404), wk = 0.0029412 k( 5) = ( 0.0000000 0.0000000 0.0628539), wk = 0.0029412 k( 6) = ( 0.0000000 0.0000000 0.0785674), wk = 0.0029412 k( 7) = ( 0.0000000 0.0000000 0.0942809), wk = 0.0029412 k( 8) = ( 0.0000000 0.0000000 0.1099944), wk = 0.0029412 k( 9) = ( 0.0000000 0.0000000 0.1257079), wk = 0.0029412 k( 10) = ( 0.0000000 0.0000000 0.1414214), wk = 0.0029412 k( 11) = ( 0.0000000 0.0000000 0.1571348), wk = 0.0029412 k( 12) = ( 0.0000000 0.0000000 0.1728483), wk = 0.0029412 k( 13) = ( 0.0000000 0.0000000 0.1885618), wk = 0.0029412 k( 14) = ( 0.0000000 0.0000000 0.2042753), wk = 0.0029412 k( 15) = ( 0.0000000 0.0000000 0.2199888), wk = 0.0029412 k( 16) = ( 0.0000000 0.0000000 0.2357023), wk = 0.0029412 k( 17) = ( 0.0000000 0.0000000 0.2514157), wk = 0.0029412 k( 18) = ( 0.0000000 0.0000000 0.2671292), wk = 0.0029412 k( 19) = ( 0.0000000 0.0000000 0.2828427), wk = 0.0029412 k( 20) = ( 0.0000000 0.0000000 0.2985562), wk = 0.0029412 k( 21) = ( 0.0000000 0.0000000 0.3142697), wk = 0.0029412 k( 22) = ( 0.0000000 0.0000000 0.3299832), wk = 0.0029412 k( 23) = ( 0.0000000 0.0000000 0.3456966), wk = 0.0029412 k( 24) = ( 0.0000000 0.0000000 0.3614101), wk = 0.0029412 k( 25) = ( 0.0000000 0.0000000 0.3771236), wk = 0.0029412 k( 26) = ( 0.0000000 0.0000000 0.3928371), wk = 0.0029412 k( 27) = ( 0.0000000 0.0000000 0.4085506), wk = 0.0029412 k( 28) = ( 0.0000000 0.0000000 0.4242641), wk = 0.0029412 k( 29) = ( 0.0000000 0.0000000 0.4399776), wk = 0.0029412 k( 30) = ( 0.0000000 0.0000000 0.4556910), wk = 0.0029412 k( 31) = ( 0.0000000 0.0000000 0.4714045), wk = 0.0029412 k( 32) = ( 0.0000000 0.0000000 0.4871180), wk = 0.0029412 k( 33) = ( 0.0000000 0.0000000 0.5028315), wk = 0.0029412 k( 34) = ( 0.0000000 0.0000000 0.5185450), wk = 0.0029412 k( 35) = ( 0.0000000 0.0000000 0.5342585), wk = 0.0029412 k( 36) = ( 0.0000000 0.0000000 0.5499719), wk = 0.0029412 k( 37) = ( 0.0000000 0.0000000 0.5656854), wk = 0.0029412 k( 38) = ( 0.0000000 0.0000000 0.5813989), wk = 0.0029412 k( 39) = ( 0.0000000 0.0000000 0.5971124), wk = 0.0029412 k( 40) = ( 0.0000000 0.0000000 0.6128259), wk = 0.0029412 k( 41) = ( 0.0000000 0.0000000 0.6285394), wk = 0.0029412 k( 42) = ( 0.0000000 0.0000000 0.6442529), wk = 0.0029412 k( 43) = ( 0.0000000 0.0000000 0.6599663), wk = 0.0029412 k( 44) = ( 0.0000000 0.0000000 0.6756798), wk = 0.0029412 k( 45) = ( 0.0000000 0.0000000 0.6913933), wk = 0.0029412 k( 46) = ( 0.0000000 0.0000000 0.7071068), wk = 0.0029412 k( 47) = ( 0.0000000 0.0000000 0.7071068), wk = 0.0029412 k( 48) = ( -0.0108696 0.0108696 0.7071068), wk = 0.0029412 k( 49) = ( -0.0217391 0.0217391 0.7071068), wk = 0.0029412 k( 50) = ( -0.0326087 0.0326087 0.7071068), wk = 0.0029412 k( 51) = ( -0.0434783 0.0434783 0.7071068), wk = 0.0029412 k( 52) = ( -0.0543478 0.0543478 0.7071068), wk = 0.0029412 k( 53) = ( -0.0652174 0.0652174 0.7071068), wk = 0.0029412 k( 54) = ( -0.0760870 0.0760870 0.7071068), wk = 0.0029412 k( 55) = ( -0.0869565 0.0869565 0.7071068), wk = 0.0029412 k( 56) = ( -0.0978261 0.0978261 0.7071068), wk = 0.0029412 k( 57) = ( -0.1086957 0.1086956 0.7071068), wk = 0.0029412 k( 58) = ( -0.1195652 0.1195652 0.7071068), wk = 0.0029412 k( 59) = ( -0.1304348 0.1304348 0.7071068), wk = 0.0029412 k( 60) = ( -0.1413043 0.1413043 0.7071068), wk = 0.0029412 k( 61) = ( -0.1521739 0.1521739 0.7071068), wk = 0.0029412 k( 62) = ( -0.1630435 0.1630435 0.7071068), wk = 0.0029412 k( 63) = ( -0.1739130 0.1739130 0.7071068), wk = 0.0029412 k( 64) = ( -0.1847826 0.1847826 0.7071068), wk = 0.0029412 k( 65) = ( -0.1956522 0.1956522 0.7071068), wk = 0.0029412 k( 66) = ( -0.2065217 0.2065217 0.7071068), wk = 0.0029412 k( 67) = ( -0.2173913 0.2173913 0.7071068), wk = 0.0029412 k( 68) = ( -0.2282609 0.2282609 0.7071068), wk = 0.0029412 k( 69) = ( -0.2391304 0.2391304 0.7071068), wk = 0.0029412 k( 70) = ( -0.2500000 0.2500000 0.7071068), wk = 0.0029412 k( 71) = ( -0.2500000 0.2500000 0.7071068), wk = 0.0029412 k( 72) = ( -0.2578125 0.2578125 0.6960582), wk = 0.0029412 k( 73) = ( -0.2656250 0.2656250 0.6850097), wk = 0.0029412 k( 74) = ( -0.2734375 0.2734375 0.6739612), wk = 0.0029412 k( 75) = ( -0.2812500 0.2812500 0.6629126), wk = 0.0029412 k( 76) = ( -0.2890625 0.2890625 0.6518641), wk = 0.0029412 k( 77) = ( -0.2968750 0.2968750 0.6408155), wk = 0.0029412 k( 78) = ( -0.3046875 0.3046875 0.6297670), wk = 0.0029412 k( 79) = ( -0.3125000 0.3125000 0.6187184), wk = 0.0029412 k( 80) = ( -0.3203125 0.3203125 0.6076699), wk = 0.0029412 k( 81) = ( -0.3281250 0.3281250 0.5966213), wk = 0.0029412 k( 82) = ( -0.3359375 0.3359375 0.5855728), wk = 0.0029412 k( 83) = ( -0.3437500 0.3437500 0.5745243), wk = 0.0029412 k( 84) = ( -0.3515625 0.3515625 0.5634757), wk = 0.0029412 k( 85) = ( -0.3593750 0.3593750 0.5524272), wk = 0.0029412 k( 86) = ( -0.3671875 0.3671875 0.5413786), wk = 0.0029412 k( 87) = ( -0.3750000 0.3750000 0.5303301), wk = 0.0029412 k( 88) = ( -0.3750000 0.3750000 0.5303301), wk = 0.0029412 k( 89) = ( -0.3670213 0.3670213 0.5190465), wk = 0.0029412 k( 90) = ( -0.3590426 0.3590425 0.5077628), wk = 0.0029412 k( 91) = ( -0.3510638 0.3510638 0.4964792), wk = 0.0029412 k( 92) = ( -0.3430851 0.3430851 0.4851956), wk = 0.0029412 k( 93) = ( -0.3351064 0.3351064 0.4739120), wk = 0.0029412 k( 94) = ( -0.3271277 0.3271277 0.4626284), wk = 0.0029412 k( 95) = ( -0.3191489 0.3191489 0.4513448), wk = 0.0029412 k( 96) = ( -0.3111702 0.3111702 0.4400611), wk = 0.0029412 k( 97) = ( -0.3031915 0.3031915 0.4287775), wk = 0.0029412 k( 98) = ( -0.2952128 0.2952128 0.4174939), wk = 0.0029412 k( 99) = ( -0.2872340 0.2872340 0.4062103), wk = 0.0029412 k( 100) = ( -0.2792553 0.2792553 0.3949267), wk = 0.0029412 k( 101) = ( -0.2712766 0.2712766 0.3836430), wk = 0.0029412 k( 102) = ( -0.2632979 0.2632979 0.3723594), wk = 0.0029412 k( 103) = ( -0.2553191 0.2553191 0.3610758), wk = 0.0029412 k( 104) = ( -0.2473404 0.2473404 0.3497922), wk = 0.0029412 k( 105) = ( -0.2393617 0.2393617 0.3385086), wk = 0.0029412 k( 106) = ( -0.2313830 0.2313830 0.3272249), wk = 0.0029412 k( 107) = ( -0.2234043 0.2234043 0.3159413), wk = 0.0029412 k( 108) = ( -0.2154255 0.2154255 0.3046577), wk = 0.0029412 k( 109) = ( -0.2074468 0.2074468 0.2933741), wk = 0.0029412 k( 110) = ( -0.1994681 0.1994681 0.2820905), wk = 0.0029412 k( 111) = ( -0.1914894 0.1914894 0.2708068), wk = 0.0029412 k( 112) = ( -0.1835106 0.1835106 0.2595232), wk = 0.0029412 k( 113) = ( -0.1755319 0.1755319 0.2482396), wk = 0.0029412 k( 114) = ( -0.1675532 0.1675532 0.2369560), wk = 0.0029412 k( 115) = ( -0.1595745 0.1595745 0.2256724), wk = 0.0029412 k( 116) = ( -0.1515957 0.1515957 0.2143888), wk = 0.0029412 k( 117) = ( -0.1436170 0.1436170 0.2031051), wk = 0.0029412 k( 118) = ( -0.1356383 0.1356383 0.1918215), wk = 0.0029412 k( 119) = ( -0.1276596 0.1276596 0.1805379), wk = 0.0029412 k( 120) = ( -0.1196809 0.1196808 0.1692543), wk = 0.0029412 k( 121) = ( -0.1117021 0.1117021 0.1579707), wk = 0.0029412 k( 122) = ( -0.1037234 0.1037234 0.1466870), wk = 0.0029412 k( 123) = ( -0.0957447 0.0957447 0.1354034), wk = 0.0029412 k( 124) = ( -0.0877660 0.0877660 0.1241198), wk = 0.0029412 k( 125) = ( -0.0797872 0.0797872 0.1128362), wk = 0.0029412 k( 126) = ( -0.0718085 0.0718085 0.1015526), wk = 0.0029412 k( 127) = ( -0.0638298 0.0638298 0.0902690), wk = 0.0029412 k( 128) = ( -0.0558511 0.0558511 0.0789853), wk = 0.0029412 k( 129) = ( -0.0478723 0.0478723 0.0677017), wk = 0.0029412 k( 130) = ( -0.0398936 0.0398936 0.0564181), wk = 0.0029412 k( 131) = ( -0.0319149 0.0319149 0.0451345), wk = 0.0029412 k( 132) = ( -0.0239362 0.0239362 0.0338509), wk = 0.0029412 k( 133) = ( -0.0159575 0.0159574 0.0225672), wk = 0.0029412 k( 134) = ( -0.0079787 0.0079787 0.0112836), wk = 0.0029412 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 137) = ( 0.0111111 0.0111111 0.0000000), wk = 0.0029412 k( 138) = ( 0.0222222 0.0222222 0.0000000), wk = 0.0029412 k( 139) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0029412 k( 140) = ( 0.0444444 0.0444444 0.0000000), wk = 0.0029412 k( 141) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0029412 k( 142) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0029412 k( 143) = ( 0.0777778 0.0777778 0.0000000), wk = 0.0029412 k( 144) = ( 0.0888889 0.0888889 0.0000000), wk = 0.0029412 k( 145) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0029412 k( 146) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0029412 k( 147) = ( 0.1222222 0.1222222 0.0000000), wk = 0.0029412 k( 148) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0029412 k( 149) = ( 0.1444444 0.1444444 0.0000000), wk = 0.0029412 k( 150) = ( 0.1555556 0.1555556 0.0000000), wk = 0.0029412 k( 151) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0029412 k( 152) = ( 0.1777778 0.1777778 0.0000000), wk = 0.0029412 k( 153) = ( 0.1888889 0.1888889 0.0000000), wk = 0.0029412 k( 154) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0029412 k( 155) = ( 0.2111111 0.2111111 0.0000000), wk = 0.0029412 k( 156) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0029412 k( 157) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0029412 k( 158) = ( 0.2444444 0.2444444 0.0000000), wk = 0.0029412 k( 159) = ( 0.2555556 0.2555556 0.0000000), wk = 0.0029412 k( 160) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0029412 k( 161) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0029412 k( 162) = ( 0.2888889 0.2888889 0.0000000), wk = 0.0029412 k( 163) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0029412 k( 164) = ( 0.3111111 0.3111111 0.0000000), wk = 0.0029412 k( 165) = ( 0.3222222 0.3222222 0.0000000), wk = 0.0029412 k( 166) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029412 k( 167) = ( 0.3444444 0.3444444 0.0000000), wk = 0.0029412 k( 168) = ( 0.3555556 0.3555556 0.0000000), wk = 0.0029412 k( 169) = ( 0.3666667 0.3666667 0.0000000), wk = 0.0029412 k( 170) = ( 0.3777778 0.3777778 0.0000000), wk = 0.0029412 k( 171) = ( 0.3888889 0.3888889 0.0000000), wk = 0.0029412 k( 172) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0029412 k( 173) = ( 0.4111111 0.4111111 0.0000000), wk = 0.0029412 k( 174) = ( 0.4222222 0.4222222 0.0000000), wk = 0.0029412 k( 175) = ( 0.4333333 0.4333333 0.0000000), wk = 0.0029412 k( 176) = ( 0.4444444 0.4444444 0.0000000), wk = 0.0029412 k( 177) = ( 0.4555556 0.4555556 0.0000000), wk = 0.0029412 k( 178) = ( 0.4666667 0.4666667 0.0000000), wk = 0.0029412 k( 179) = ( 0.4777778 0.4777778 0.0000000), wk = 0.0029412 k( 180) = ( 0.4888889 0.4888889 0.0000000), wk = 0.0029412 k( 181) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029412 k( 182) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029412 k( 183) = ( 0.4921875 0.5078125 0.0110485), wk = 0.0029412 k( 184) = ( 0.4843750 0.5156250 0.0220971), wk = 0.0029412 k( 185) = ( 0.4765625 0.5234375 0.0331456), wk = 0.0029412 k( 186) = ( 0.4687500 0.5312500 0.0441942), wk = 0.0029412 k( 187) = ( 0.4609375 0.5390625 0.0552427), wk = 0.0029412 k( 188) = ( 0.4531250 0.5468750 0.0662913), wk = 0.0029412 k( 189) = ( 0.4453125 0.5546875 0.0773398), wk = 0.0029412 k( 190) = ( 0.4375000 0.5625000 0.0883883), wk = 0.0029412 k( 191) = ( 0.4296875 0.5703125 0.0994369), wk = 0.0029412 k( 192) = ( 0.4218750 0.5781250 0.1104854), wk = 0.0029412 k( 193) = ( 0.4140625 0.5859375 0.1215340), wk = 0.0029412 k( 194) = ( 0.4062500 0.5937500 0.1325825), wk = 0.0029412 k( 195) = ( 0.3984375 0.6015625 0.1436311), wk = 0.0029412 k( 196) = ( 0.3906250 0.6093750 0.1546796), wk = 0.0029412 k( 197) = ( 0.3828125 0.6171875 0.1657282), wk = 0.0029412 k( 198) = ( 0.3750000 0.6250000 0.1767767), wk = 0.0029412 k( 199) = ( 0.3750000 0.6250000 0.1767767), wk = 0.0029412 k( 200) = ( 0.3611111 0.6203704 0.1833240), wk = 0.0029412 k( 201) = ( 0.3472222 0.6157407 0.1898713), wk = 0.0029412 k( 202) = ( 0.3333333 0.6111111 0.1964186), wk = 0.0029412 k( 203) = ( 0.3194444 0.6064815 0.2029658), wk = 0.0029412 k( 204) = ( 0.3055556 0.6018519 0.2095131), wk = 0.0029412 k( 205) = ( 0.2916667 0.5972222 0.2160604), wk = 0.0029412 k( 206) = ( 0.2777778 0.5925926 0.2226077), wk = 0.0029412 k( 207) = ( 0.2638889 0.5879630 0.2291550), wk = 0.0029412 k( 208) = ( 0.2500000 0.5833333 0.2357023), wk = 0.0029412 k( 209) = ( 0.2361111 0.5787037 0.2422495), wk = 0.0029412 k( 210) = ( 0.2222222 0.5740741 0.2487968), wk = 0.0029412 k( 211) = ( 0.2083333 0.5694444 0.2553441), wk = 0.0029412 k( 212) = ( 0.1944444 0.5648148 0.2618914), wk = 0.0029412 k( 213) = ( 0.1805556 0.5601852 0.2684387), wk = 0.0029412 k( 214) = ( 0.1666667 0.5555556 0.2749860), wk = 0.0029412 k( 215) = ( 0.1527778 0.5509259 0.2815333), wk = 0.0029412 k( 216) = ( 0.1388889 0.5462963 0.2880805), wk = 0.0029412 k( 217) = ( 0.1250000 0.5416667 0.2946278), wk = 0.0029412 k( 218) = ( 0.1111111 0.5370370 0.3011751), wk = 0.0029412 k( 219) = ( 0.0972222 0.5324074 0.3077224), wk = 0.0029412 k( 220) = ( 0.0833333 0.5277778 0.3142697), wk = 0.0029412 k( 221) = ( 0.0694444 0.5231482 0.3208170), wk = 0.0029412 k( 222) = ( 0.0555556 0.5185185 0.3273642), wk = 0.0029412 k( 223) = ( 0.0416667 0.5138889 0.3339115), wk = 0.0029412 k( 224) = ( 0.0277778 0.5092593 0.3404588), wk = 0.0029412 k( 225) = ( 0.0138889 0.5046296 0.3470061), wk = 0.0029412 k( 226) = ( 0.0000000 0.5000000 0.3535534), wk = 0.0029412 k( 227) = ( 0.0000000 0.5000000 0.3535534), wk = 0.0029412 k( 228) = ( 0.0078125 0.4921875 0.3646019), wk = 0.0029412 k( 229) = ( 0.0156250 0.4843750 0.3756505), wk = 0.0029412 k( 230) = ( 0.0234375 0.4765625 0.3866990), wk = 0.0029412 k( 231) = ( 0.0312500 0.4687500 0.3977476), wk = 0.0029412 k( 232) = ( 0.0390625 0.4609375 0.4087961), wk = 0.0029412 k( 233) = ( 0.0468750 0.4531250 0.4198447), wk = 0.0029412 k( 234) = ( 0.0546875 0.4453125 0.4308932), wk = 0.0029412 k( 235) = ( 0.0625000 0.4375000 0.4419417), wk = 0.0029412 k( 236) = ( 0.0703125 0.4296875 0.4529903), wk = 0.0029412 k( 237) = ( 0.0781250 0.4218750 0.4640388), wk = 0.0029412 k( 238) = ( 0.0859375 0.4140625 0.4750874), wk = 0.0029412 k( 239) = ( 0.0937500 0.4062500 0.4861359), wk = 0.0029412 k( 240) = ( 0.1015625 0.3984375 0.4971845), wk = 0.0029412 k( 241) = ( 0.1093750 0.3906250 0.5082330), wk = 0.0029412 k( 242) = ( 0.1171875 0.3828125 0.5192815), wk = 0.0029412 k( 243) = ( 0.1250000 0.3750000 0.5303301), wk = 0.0029412 k( 244) = ( 0.1328125 0.3671875 0.5413786), wk = 0.0029412 k( 245) = ( 0.1406250 0.3593750 0.5524272), wk = 0.0029412 k( 246) = ( 0.1484375 0.3515625 0.5634757), wk = 0.0029412 k( 247) = ( 0.1562500 0.3437500 0.5745243), wk = 0.0029412 k( 248) = ( 0.1640625 0.3359375 0.5855728), wk = 0.0029412 k( 249) = ( 0.1718750 0.3281250 0.5966213), wk = 0.0029412 k( 250) = ( 0.1796875 0.3203125 0.6076699), wk = 0.0029412 k( 251) = ( 0.1875000 0.3125000 0.6187184), wk = 0.0029412 k( 252) = ( 0.1953125 0.3046875 0.6297670), wk = 0.0029412 k( 253) = ( 0.2031250 0.2968750 0.6408155), wk = 0.0029412 k( 254) = ( 0.2109375 0.2890625 0.6518641), wk = 0.0029412 k( 255) = ( 0.2187500 0.2812500 0.6629126), wk = 0.0029412 k( 256) = ( 0.2265625 0.2734375 0.6739612), wk = 0.0029412 k( 257) = ( 0.2343750 0.2656250 0.6850097), wk = 0.0029412 k( 258) = ( 0.2421875 0.2578125 0.6960582), wk = 0.0029412 k( 259) = ( 0.2500000 0.2500000 0.7071068), wk = 0.0029412 k( 260) = ( 0.2500000 0.2500000 0.7071068), wk = 0.0029412 k( 261) = ( 0.2578125 0.2578125 0.6960582), wk = 0.0029412 k( 262) = ( 0.2656250 0.2656250 0.6850097), wk = 0.0029412 k( 263) = ( 0.2734375 0.2734375 0.6739612), wk = 0.0029412 k( 264) = ( 0.2812500 0.2812500 0.6629126), wk = 0.0029412 k( 265) = ( 0.2890625 0.2890625 0.6518641), wk = 0.0029412 k( 266) = ( 0.2968750 0.2968750 0.6408155), wk = 0.0029412 k( 267) = ( 0.3046875 0.3046875 0.6297670), wk = 0.0029412 k( 268) = ( 0.3125000 0.3125000 0.6187184), wk = 0.0029412 k( 269) = ( 0.3203125 0.3203125 0.6076699), wk = 0.0029412 k( 270) = ( 0.3281250 0.3281250 0.5966213), wk = 0.0029412 k( 271) = ( 0.3359375 0.3359375 0.5855728), wk = 0.0029412 k( 272) = ( 0.3437500 0.3437500 0.5745243), wk = 0.0029412 k( 273) = ( 0.3515625 0.3515625 0.5634757), wk = 0.0029412 k( 274) = ( 0.3593750 0.3593750 0.5524272), wk = 0.0029412 k( 275) = ( 0.3671875 0.3671875 0.5413786), wk = 0.0029412 k( 276) = ( 0.3750000 0.3750000 0.5303301), wk = 0.0029412 k( 277) = ( 0.3828125 0.3828125 0.5192815), wk = 0.0029412 k( 278) = ( 0.3906250 0.3906250 0.5082330), wk = 0.0029412 k( 279) = ( 0.3984375 0.3984375 0.4971845), wk = 0.0029412 k( 280) = ( 0.4062500 0.4062500 0.4861359), wk = 0.0029412 k( 281) = ( 0.4140625 0.4140625 0.4750874), wk = 0.0029412 k( 282) = ( 0.4218750 0.4218750 0.4640388), wk = 0.0029412 k( 283) = ( 0.4296875 0.4296875 0.4529903), wk = 0.0029412 k( 284) = ( 0.4375000 0.4375000 0.4419417), wk = 0.0029412 k( 285) = ( 0.4453125 0.4453125 0.4308932), wk = 0.0029412 k( 286) = ( 0.4531250 0.4531250 0.4198447), wk = 0.0029412 k( 287) = ( 0.4609375 0.4609375 0.4087961), wk = 0.0029412 k( 288) = ( 0.4687500 0.4687500 0.3977476), wk = 0.0029412 k( 289) = ( 0.4765625 0.4765625 0.3866990), wk = 0.0029412 k( 290) = ( 0.4843750 0.4843750 0.3756505), wk = 0.0029412 k( 291) = ( 0.4921875 0.4921875 0.3646019), wk = 0.0029412 k( 292) = ( 0.5000000 0.5000000 0.3535534), wk = 0.0029412 k( 293) = ( 0.5000000 0.5000000 0.3535534), wk = 0.0029412 k( 294) = ( 0.5000000 0.5000000 0.3381815), wk = 0.0029412 k( 295) = ( 0.5000000 0.5000000 0.3228096), wk = 0.0029412 k( 296) = ( 0.5000000 0.5000000 0.3074377), wk = 0.0029412 k( 297) = ( 0.5000000 0.5000000 0.2920658), wk = 0.0029412 k( 298) = ( 0.5000000 0.5000000 0.2766940), wk = 0.0029412 k( 299) = ( 0.5000000 0.5000000 0.2613221), wk = 0.0029412 k( 300) = ( 0.5000000 0.5000000 0.2459502), wk = 0.0029412 k( 301) = ( 0.5000000 0.5000000 0.2305783), wk = 0.0029412 k( 302) = ( 0.5000000 0.5000000 0.2152064), wk = 0.0029412 k( 303) = ( 0.5000000 0.5000000 0.1998345), wk = 0.0029412 k( 304) = ( 0.5000000 0.5000000 0.1844626), wk = 0.0029412 k( 305) = ( 0.5000000 0.5000000 0.1690908), wk = 0.0029412 k( 306) = ( 0.5000000 0.5000000 0.1537189), wk = 0.0029412 k( 307) = ( 0.5000000 0.5000000 0.1383470), wk = 0.0029412 k( 308) = ( 0.5000000 0.5000000 0.1229751), wk = 0.0029412 k( 309) = ( 0.5000000 0.5000000 0.1076032), wk = 0.0029412 k( 310) = ( 0.5000000 0.5000000 0.0922313), wk = 0.0029412 k( 311) = ( 0.5000000 0.5000000 0.0768594), wk = 0.0029412 k( 312) = ( 0.5000000 0.5000000 0.0614875), wk = 0.0029412 k( 313) = ( 0.5000000 0.5000000 0.0461157), wk = 0.0029412 k( 314) = ( 0.5000000 0.5000000 0.0307438), wk = 0.0029412 k( 315) = ( 0.5000000 0.5000000 0.0153719), wk = 0.0029412 k( 316) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029412 k( 317) = ( 0.0000000 0.0000000 0.7071068), wk = 0.0029412 k( 318) = ( 0.0108696 0.0108696 0.7071068), wk = 0.0029412 k( 319) = ( 0.0217391 0.0217391 0.7071068), wk = 0.0029412 k( 320) = ( 0.0326087 0.0326087 0.7071068), wk = 0.0029412 k( 321) = ( 0.0434783 0.0434783 0.7071068), wk = 0.0029412 k( 322) = ( 0.0543478 0.0543478 0.7071068), wk = 0.0029412 k( 323) = ( 0.0652174 0.0652174 0.7071068), wk = 0.0029412 k( 324) = ( 0.0760870 0.0760870 0.7071068), wk = 0.0029412 k( 325) = ( 0.0869565 0.0869565 0.7071068), wk = 0.0029412 k( 326) = ( 0.0978261 0.0978261 0.7071068), wk = 0.0029412 k( 327) = ( 0.1086957 0.1086957 0.7071068), wk = 0.0029412 k( 328) = ( 0.1195652 0.1195652 0.7071068), wk = 0.0029412 k( 329) = ( 0.1304348 0.1304348 0.7071068), wk = 0.0029412 k( 330) = ( 0.1413043 0.1413044 0.7071068), wk = 0.0029412 k( 331) = ( 0.1521739 0.1521739 0.7071068), wk = 0.0029412 k( 332) = ( 0.1630435 0.1630435 0.7071068), wk = 0.0029412 k( 333) = ( 0.1739130 0.1739130 0.7071068), wk = 0.0029412 k( 334) = ( 0.1847826 0.1847826 0.7071068), wk = 0.0029412 k( 335) = ( 0.1956522 0.1956522 0.7071068), wk = 0.0029412 k( 336) = ( 0.2065217 0.2065217 0.7071068), wk = 0.0029412 k( 337) = ( 0.2173913 0.2173913 0.7071068), wk = 0.0029412 k( 338) = ( 0.2282609 0.2282609 0.7071068), wk = 0.0029412 k( 339) = ( 0.2391304 0.2391304 0.7071068), wk = 0.0029412 k( 340) = ( 0.2500000 0.2500000 0.7071068), wk = 0.0029412 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 2) = ( 0.0000000 0.0000000 0.0111111), wk = 0.0029412 k( 3) = ( 0.0000000 0.0000000 0.0222222), wk = 0.0029412 k( 4) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0029412 k( 5) = ( 0.0000000 0.0000000 0.0444444), wk = 0.0029412 k( 6) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0029412 k( 7) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0029412 k( 8) = ( 0.0000000 0.0000000 0.0777778), wk = 0.0029412 k( 9) = ( 0.0000000 0.0000000 0.0888889), wk = 0.0029412 k( 10) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0029412 k( 11) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0029412 k( 12) = ( 0.0000000 0.0000000 0.1222222), wk = 0.0029412 k( 13) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0029412 k( 14) = ( 0.0000000 0.0000000 0.1444444), wk = 0.0029412 k( 15) = ( 0.0000000 0.0000000 0.1555556), wk = 0.0029412 k( 16) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0029412 k( 17) = ( 0.0000000 0.0000000 0.1777778), wk = 0.0029412 k( 18) = ( 0.0000000 0.0000000 0.1888889), wk = 0.0029412 k( 19) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0029412 k( 20) = ( 0.0000000 0.0000000 0.2111111), wk = 0.0029412 k( 21) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0029412 k( 22) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0029412 k( 23) = ( 0.0000000 0.0000000 0.2444444), wk = 0.0029412 k( 24) = ( 0.0000000 0.0000000 0.2555556), wk = 0.0029412 k( 25) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0029412 k( 26) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0029412 k( 27) = ( 0.0000000 0.0000000 0.2888889), wk = 0.0029412 k( 28) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0029412 k( 29) = ( 0.0000000 0.0000000 0.3111111), wk = 0.0029412 k( 30) = ( 0.0000000 0.0000000 0.3222222), wk = 0.0029412 k( 31) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0029412 k( 32) = ( 0.0000000 0.0000000 0.3444444), wk = 0.0029412 k( 33) = ( 0.0000000 0.0000000 0.3555556), wk = 0.0029412 k( 34) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0029412 k( 35) = ( 0.0000000 0.0000000 0.3777778), wk = 0.0029412 k( 36) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0029412 k( 37) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0029412 k( 38) = ( 0.0000000 0.0000000 0.4111111), wk = 0.0029412 k( 39) = ( 0.0000000 0.0000000 0.4222222), wk = 0.0029412 k( 40) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0029412 k( 41) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0029412 k( 42) = ( 0.0000000 0.0000000 0.4555556), wk = 0.0029412 k( 43) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0029412 k( 44) = ( 0.0000000 0.0000000 0.4777778), wk = 0.0029412 k( 45) = ( 0.0000000 0.0000000 0.4888889), wk = 0.0029412 k( 46) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029412 k( 47) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029412 k( 48) = ( -0.0108696 0.0108696 0.5000000), wk = 0.0029412 k( 49) = ( -0.0217391 0.0217391 0.5000000), wk = 0.0029412 k( 50) = ( -0.0326087 0.0326087 0.5000000), wk = 0.0029412 k( 51) = ( -0.0434783 0.0434783 0.5000000), wk = 0.0029412 k( 52) = ( -0.0543478 0.0543478 0.5000000), wk = 0.0029412 k( 53) = ( -0.0652174 0.0652174 0.5000000), wk = 0.0029412 k( 54) = ( -0.0760870 0.0760870 0.5000000), wk = 0.0029412 k( 55) = ( -0.0869565 0.0869565 0.5000000), wk = 0.0029412 k( 56) = ( -0.0978261 0.0978261 0.5000000), wk = 0.0029412 k( 57) = ( -0.1086957 0.1086957 0.5000000), wk = 0.0029412 k( 58) = ( -0.1195652 0.1195652 0.5000000), wk = 0.0029412 k( 59) = ( -0.1304348 0.1304348 0.5000000), wk = 0.0029412 k( 60) = ( -0.1413043 0.1413043 0.5000000), wk = 0.0029412 k( 61) = ( -0.1521739 0.1521739 0.5000000), wk = 0.0029412 k( 62) = ( -0.1630435 0.1630435 0.5000000), wk = 0.0029412 k( 63) = ( -0.1739130 0.1739130 0.5000000), wk = 0.0029412 k( 64) = ( -0.1847826 0.1847826 0.5000000), wk = 0.0029412 k( 65) = ( -0.1956522 0.1956522 0.5000000), wk = 0.0029412 k( 66) = ( -0.2065217 0.2065217 0.5000000), wk = 0.0029412 k( 67) = ( -0.2173913 0.2173913 0.5000000), wk = 0.0029412 k( 68) = ( -0.2282609 0.2282609 0.5000000), wk = 0.0029412 k( 69) = ( -0.2391304 0.2391304 0.5000000), wk = 0.0029412 k( 70) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0029412 k( 71) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0029412 k( 72) = ( -0.2578125 0.2578125 0.4921875), wk = 0.0029412 k( 73) = ( -0.2656250 0.2656250 0.4843750), wk = 0.0029412 k( 74) = ( -0.2734375 0.2734375 0.4765625), wk = 0.0029412 k( 75) = ( -0.2812500 0.2812500 0.4687500), wk = 0.0029412 k( 76) = ( -0.2890625 0.2890625 0.4609375), wk = 0.0029412 k( 77) = ( -0.2968750 0.2968750 0.4531250), wk = 0.0029412 k( 78) = ( -0.3046875 0.3046875 0.4453125), wk = 0.0029412 k( 79) = ( -0.3125000 0.3125000 0.4375000), wk = 0.0029412 k( 80) = ( -0.3203125 0.3203125 0.4296875), wk = 0.0029412 k( 81) = ( -0.3281250 0.3281250 0.4218750), wk = 0.0029412 k( 82) = ( -0.3359375 0.3359375 0.4140625), wk = 0.0029412 k( 83) = ( -0.3437500 0.3437500 0.4062500), wk = 0.0029412 k( 84) = ( -0.3515625 0.3515625 0.3984375), wk = 0.0029412 k( 85) = ( -0.3593750 0.3593750 0.3906250), wk = 0.0029412 k( 86) = ( -0.3671875 0.3671875 0.3828125), wk = 0.0029412 k( 87) = ( -0.3750000 0.3750000 0.3750000), wk = 0.0029412 k( 88) = ( -0.3750000 0.3750000 0.3750000), wk = 0.0029412 k( 89) = ( -0.3670213 0.3670213 0.3670213), wk = 0.0029412 k( 90) = ( -0.3590426 0.3590426 0.3590426), wk = 0.0029412 k( 91) = ( -0.3510638 0.3510638 0.3510638), wk = 0.0029412 k( 92) = ( -0.3430851 0.3430851 0.3430851), wk = 0.0029412 k( 93) = ( -0.3351064 0.3351064 0.3351064), wk = 0.0029412 k( 94) = ( -0.3271277 0.3271277 0.3271277), wk = 0.0029412 k( 95) = ( -0.3191489 0.3191489 0.3191489), wk = 0.0029412 k( 96) = ( -0.3111702 0.3111702 0.3111702), wk = 0.0029412 k( 97) = ( -0.3031915 0.3031915 0.3031915), wk = 0.0029412 k( 98) = ( -0.2952128 0.2952128 0.2952128), wk = 0.0029412 k( 99) = ( -0.2872340 0.2872340 0.2872340), wk = 0.0029412 k( 100) = ( -0.2792553 0.2792553 0.2792553), wk = 0.0029412 k( 101) = ( -0.2712766 0.2712766 0.2712766), wk = 0.0029412 k( 102) = ( -0.2632979 0.2632979 0.2632979), wk = 0.0029412 k( 103) = ( -0.2553191 0.2553191 0.2553191), wk = 0.0029412 k( 104) = ( -0.2473404 0.2473404 0.2473404), wk = 0.0029412 k( 105) = ( -0.2393617 0.2393617 0.2393617), wk = 0.0029412 k( 106) = ( -0.2313830 0.2313830 0.2313830), wk = 0.0029412 k( 107) = ( -0.2234043 0.2234043 0.2234043), wk = 0.0029412 k( 108) = ( -0.2154255 0.2154255 0.2154255), wk = 0.0029412 k( 109) = ( -0.2074468 0.2074468 0.2074468), wk = 0.0029412 k( 110) = ( -0.1994681 0.1994681 0.1994681), wk = 0.0029412 k( 111) = ( -0.1914894 0.1914894 0.1914894), wk = 0.0029412 k( 112) = ( -0.1835106 0.1835106 0.1835106), wk = 0.0029412 k( 113) = ( -0.1755319 0.1755319 0.1755319), wk = 0.0029412 k( 114) = ( -0.1675532 0.1675532 0.1675532), wk = 0.0029412 k( 115) = ( -0.1595745 0.1595745 0.1595745), wk = 0.0029412 k( 116) = ( -0.1515957 0.1515957 0.1515957), wk = 0.0029412 k( 117) = ( -0.1436170 0.1436170 0.1436170), wk = 0.0029412 k( 118) = ( -0.1356383 0.1356383 0.1356383), wk = 0.0029412 k( 119) = ( -0.1276596 0.1276596 0.1276596), wk = 0.0029412 k( 120) = ( -0.1196809 0.1196809 0.1196809), wk = 0.0029412 k( 121) = ( -0.1117021 0.1117021 0.1117021), wk = 0.0029412 k( 122) = ( -0.1037234 0.1037234 0.1037234), wk = 0.0029412 k( 123) = ( -0.0957447 0.0957447 0.0957447), wk = 0.0029412 k( 124) = ( -0.0877660 0.0877660 0.0877660), wk = 0.0029412 k( 125) = ( -0.0797872 0.0797872 0.0797872), wk = 0.0029412 k( 126) = ( -0.0718085 0.0718085 0.0718085), wk = 0.0029412 k( 127) = ( -0.0638298 0.0638298 0.0638298), wk = 0.0029412 k( 128) = ( -0.0558511 0.0558511 0.0558511), wk = 0.0029412 k( 129) = ( -0.0478723 0.0478723 0.0478723), wk = 0.0029412 k( 130) = ( -0.0398936 0.0398936 0.0398936), wk = 0.0029412 k( 131) = ( -0.0319149 0.0319149 0.0319149), wk = 0.0029412 k( 132) = ( -0.0239362 0.0239362 0.0239362), wk = 0.0029412 k( 133) = ( -0.0159575 0.0159575 0.0159575), wk = 0.0029412 k( 134) = ( -0.0079787 0.0079787 0.0079787), wk = 0.0029412 k( 135) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 136) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029412 k( 137) = ( 0.0111111 0.0111111 -0.0111111), wk = 0.0029412 k( 138) = ( 0.0222222 0.0222222 -0.0222222), wk = 0.0029412 k( 139) = ( 0.0333333 0.0333333 -0.0333333), wk = 0.0029412 k( 140) = ( 0.0444444 0.0444444 -0.0444444), wk = 0.0029412 k( 141) = ( 0.0555556 0.0555556 -0.0555556), wk = 0.0029412 k( 142) = ( 0.0666667 0.0666667 -0.0666667), wk = 0.0029412 k( 143) = ( 0.0777778 0.0777778 -0.0777778), wk = 0.0029412 k( 144) = ( 0.0888889 0.0888889 -0.0888889), wk = 0.0029412 k( 145) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0029412 k( 146) = ( 0.1111111 0.1111111 -0.1111111), wk = 0.0029412 k( 147) = ( 0.1222222 0.1222222 -0.1222222), wk = 0.0029412 k( 148) = ( 0.1333333 0.1333333 -0.1333333), wk = 0.0029412 k( 149) = ( 0.1444444 0.1444444 -0.1444444), wk = 0.0029412 k( 150) = ( 0.1555556 0.1555556 -0.1555556), wk = 0.0029412 k( 151) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0029412 k( 152) = ( 0.1777778 0.1777778 -0.1777778), wk = 0.0029412 k( 153) = ( 0.1888889 0.1888889 -0.1888889), wk = 0.0029412 k( 154) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0029412 k( 155) = ( 0.2111111 0.2111111 -0.2111111), wk = 0.0029412 k( 156) = ( 0.2222222 0.2222222 -0.2222222), wk = 0.0029412 k( 157) = ( 0.2333333 0.2333333 -0.2333333), wk = 0.0029412 k( 158) = ( 0.2444444 0.2444444 -0.2444444), wk = 0.0029412 k( 159) = ( 0.2555556 0.2555556 -0.2555556), wk = 0.0029412 k( 160) = ( 0.2666667 0.2666667 -0.2666667), wk = 0.0029412 k( 161) = ( 0.2777778 0.2777778 -0.2777778), wk = 0.0029412 k( 162) = ( 0.2888889 0.2888889 -0.2888889), wk = 0.0029412 k( 163) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0029412 k( 164) = ( 0.3111111 0.3111111 -0.3111111), wk = 0.0029412 k( 165) = ( 0.3222222 0.3222222 -0.3222222), wk = 0.0029412 k( 166) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0029412 k( 167) = ( 0.3444444 0.3444444 -0.3444444), wk = 0.0029412 k( 168) = ( 0.3555556 0.3555556 -0.3555556), wk = 0.0029412 k( 169) = ( 0.3666667 0.3666667 -0.3666667), wk = 0.0029412 k( 170) = ( 0.3777778 0.3777778 -0.3777778), wk = 0.0029412 k( 171) = ( 0.3888889 0.3888889 -0.3888889), wk = 0.0029412 k( 172) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0029412 k( 173) = ( 0.4111111 0.4111111 -0.4111111), wk = 0.0029412 k( 174) = ( 0.4222222 0.4222222 -0.4222222), wk = 0.0029412 k( 175) = ( 0.4333333 0.4333333 -0.4333333), wk = 0.0029412 k( 176) = ( 0.4444444 0.4444444 -0.4444444), wk = 0.0029412 k( 177) = ( 0.4555556 0.4555556 -0.4555556), wk = 0.0029412 k( 178) = ( 0.4666667 0.4666667 -0.4666667), wk = 0.0029412 k( 179) = ( 0.4777778 0.4777778 -0.4777778), wk = 0.0029412 k( 180) = ( 0.4888889 0.4888889 -0.4888889), wk = 0.0029412 k( 181) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029412 k( 182) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029412 k( 183) = ( 0.4921875 0.5078125 -0.4921875), wk = 0.0029412 k( 184) = ( 0.4843750 0.5156250 -0.4843750), wk = 0.0029412 k( 185) = ( 0.4765625 0.5234375 -0.4765625), wk = 0.0029412 k( 186) = ( 0.4687500 0.5312500 -0.4687500), wk = 0.0029412 k( 187) = ( 0.4609375 0.5390625 -0.4609375), wk = 0.0029412 k( 188) = ( 0.4531250 0.5468750 -0.4531250), wk = 0.0029412 k( 189) = ( 0.4453125 0.5546875 -0.4453125), wk = 0.0029412 k( 190) = ( 0.4375000 0.5625000 -0.4375000), wk = 0.0029412 k( 191) = ( 0.4296875 0.5703125 -0.4296875), wk = 0.0029412 k( 192) = ( 0.4218750 0.5781250 -0.4218750), wk = 0.0029412 k( 193) = ( 0.4140625 0.5859375 -0.4140625), wk = 0.0029412 k( 194) = ( 0.4062500 0.5937500 -0.4062500), wk = 0.0029412 k( 195) = ( 0.3984375 0.6015625 -0.3984375), wk = 0.0029412 k( 196) = ( 0.3906250 0.6093750 -0.3906250), wk = 0.0029412 k( 197) = ( 0.3828125 0.6171875 -0.3828125), wk = 0.0029412 k( 198) = ( 0.3750000 0.6250000 -0.3750000), wk = 0.0029412 k( 199) = ( 0.3750000 0.6250000 -0.3750000), wk = 0.0029412 k( 200) = ( 0.3611111 0.6203704 -0.3611111), wk = 0.0029412 k( 201) = ( 0.3472222 0.6157407 -0.3472222), wk = 0.0029412 k( 202) = ( 0.3333333 0.6111111 -0.3333333), wk = 0.0029412 k( 203) = ( 0.3194444 0.6064815 -0.3194444), wk = 0.0029412 k( 204) = ( 0.3055556 0.6018518 -0.3055556), wk = 0.0029412 k( 205) = ( 0.2916667 0.5972222 -0.2916667), wk = 0.0029412 k( 206) = ( 0.2777778 0.5925926 -0.2777778), wk = 0.0029412 k( 207) = ( 0.2638889 0.5879630 -0.2638889), wk = 0.0029412 k( 208) = ( 0.2500000 0.5833333 -0.2500000), wk = 0.0029412 k( 209) = ( 0.2361111 0.5787037 -0.2361111), wk = 0.0029412 k( 210) = ( 0.2222222 0.5740741 -0.2222222), wk = 0.0029412 k( 211) = ( 0.2083333 0.5694444 -0.2083333), wk = 0.0029412 k( 212) = ( 0.1944444 0.5648148 -0.1944444), wk = 0.0029412 k( 213) = ( 0.1805556 0.5601852 -0.1805556), wk = 0.0029412 k( 214) = ( 0.1666667 0.5555556 -0.1666667), wk = 0.0029412 k( 215) = ( 0.1527778 0.5509259 -0.1527778), wk = 0.0029412 k( 216) = ( 0.1388889 0.5462963 -0.1388889), wk = 0.0029412 k( 217) = ( 0.1250000 0.5416667 -0.1250000), wk = 0.0029412 k( 218) = ( 0.1111111 0.5370370 -0.1111111), wk = 0.0029412 k( 219) = ( 0.0972222 0.5324074 -0.0972222), wk = 0.0029412 k( 220) = ( 0.0833333 0.5277778 -0.0833333), wk = 0.0029412 k( 221) = ( 0.0694444 0.5231482 -0.0694444), wk = 0.0029412 k( 222) = ( 0.0555556 0.5185185 -0.0555556), wk = 0.0029412 k( 223) = ( 0.0416667 0.5138889 -0.0416667), wk = 0.0029412 k( 224) = ( 0.0277778 0.5092593 -0.0277778), wk = 0.0029412 k( 225) = ( 0.0138889 0.5046296 -0.0138889), wk = 0.0029412 k( 226) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029412 k( 227) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029412 k( 228) = ( 0.0078125 0.4921875 0.0078125), wk = 0.0029412 k( 229) = ( 0.0156250 0.4843750 0.0156250), wk = 0.0029412 k( 230) = ( 0.0234375 0.4765625 0.0234375), wk = 0.0029412 k( 231) = ( 0.0312500 0.4687500 0.0312500), wk = 0.0029412 k( 232) = ( 0.0390625 0.4609375 0.0390625), wk = 0.0029412 k( 233) = ( 0.0468750 0.4531250 0.0468750), wk = 0.0029412 k( 234) = ( 0.0546875 0.4453125 0.0546875), wk = 0.0029412 k( 235) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0029412 k( 236) = ( 0.0703125 0.4296875 0.0703125), wk = 0.0029412 k( 237) = ( 0.0781250 0.4218750 0.0781250), wk = 0.0029412 k( 238) = ( 0.0859375 0.4140625 0.0859375), wk = 0.0029412 k( 239) = ( 0.0937500 0.4062500 0.0937500), wk = 0.0029412 k( 240) = ( 0.1015625 0.3984375 0.1015625), wk = 0.0029412 k( 241) = ( 0.1093750 0.3906250 0.1093750), wk = 0.0029412 k( 242) = ( 0.1171875 0.3828125 0.1171875), wk = 0.0029412 k( 243) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0029412 k( 244) = ( 0.1328125 0.3671875 0.1328125), wk = 0.0029412 k( 245) = ( 0.1406250 0.3593750 0.1406250), wk = 0.0029412 k( 246) = ( 0.1484375 0.3515625 0.1484375), wk = 0.0029412 k( 247) = ( 0.1562500 0.3437500 0.1562500), wk = 0.0029412 k( 248) = ( 0.1640625 0.3359375 0.1640625), wk = 0.0029412 k( 249) = ( 0.1718750 0.3281250 0.1718750), wk = 0.0029412 k( 250) = ( 0.1796875 0.3203125 0.1796875), wk = 0.0029412 k( 251) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0029412 k( 252) = ( 0.1953125 0.3046875 0.1953125), wk = 0.0029412 k( 253) = ( 0.2031250 0.2968750 0.2031250), wk = 0.0029412 k( 254) = ( 0.2109375 0.2890625 0.2109375), wk = 0.0029412 k( 255) = ( 0.2187500 0.2812500 0.2187500), wk = 0.0029412 k( 256) = ( 0.2265625 0.2734375 0.2265625), wk = 0.0029412 k( 257) = ( 0.2343750 0.2656250 0.2343750), wk = 0.0029412 k( 258) = ( 0.2421875 0.2578125 0.2421875), wk = 0.0029412 k( 259) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029412 k( 260) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029412 k( 261) = ( 0.2578125 0.2578125 0.2343750), wk = 0.0029412 k( 262) = ( 0.2656250 0.2656250 0.2187500), wk = 0.0029412 k( 263) = ( 0.2734375 0.2734375 0.2031250), wk = 0.0029412 k( 264) = ( 0.2812500 0.2812500 0.1875000), wk = 0.0029412 k( 265) = ( 0.2890625 0.2890625 0.1718750), wk = 0.0029412 k( 266) = ( 0.2968750 0.2968750 0.1562500), wk = 0.0029412 k( 267) = ( 0.3046875 0.3046875 0.1406250), wk = 0.0029412 k( 268) = ( 0.3125000 0.3125000 0.1250000), wk = 0.0029412 k( 269) = ( 0.3203125 0.3203125 0.1093750), wk = 0.0029412 k( 270) = ( 0.3281250 0.3281250 0.0937500), wk = 0.0029412 k( 271) = ( 0.3359375 0.3359375 0.0781250), wk = 0.0029412 k( 272) = ( 0.3437500 0.3437500 0.0625000), wk = 0.0029412 k( 273) = ( 0.3515625 0.3515625 0.0468750), wk = 0.0029412 k( 274) = ( 0.3593750 0.3593750 0.0312500), wk = 0.0029412 k( 275) = ( 0.3671875 0.3671875 0.0156250), wk = 0.0029412 k( 276) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0029412 k( 277) = ( 0.3828125 0.3828125 -0.0156250), wk = 0.0029412 k( 278) = ( 0.3906250 0.3906250 -0.0312500), wk = 0.0029412 k( 279) = ( 0.3984375 0.3984375 -0.0468750), wk = 0.0029412 k( 280) = ( 0.4062500 0.4062500 -0.0625000), wk = 0.0029412 k( 281) = ( 0.4140625 0.4140625 -0.0781250), wk = 0.0029412 k( 282) = ( 0.4218750 0.4218750 -0.0937500), wk = 0.0029412 k( 283) = ( 0.4296875 0.4296875 -0.1093750), wk = 0.0029412 k( 284) = ( 0.4375000 0.4375000 -0.1250000), wk = 0.0029412 k( 285) = ( 0.4453125 0.4453125 -0.1406250), wk = 0.0029412 k( 286) = ( 0.4531250 0.4531250 -0.1562500), wk = 0.0029412 k( 287) = ( 0.4609375 0.4609375 -0.1718750), wk = 0.0029412 k( 288) = ( 0.4687500 0.4687500 -0.1875000), wk = 0.0029412 k( 289) = ( 0.4765625 0.4765625 -0.2031250), wk = 0.0029412 k( 290) = ( 0.4843750 0.4843750 -0.2187500), wk = 0.0029412 k( 291) = ( 0.4921875 0.4921875 -0.2343750), wk = 0.0029412 k( 292) = ( 0.5000000 0.5000000 -0.2500000), wk = 0.0029412 k( 293) = ( 0.5000000 0.5000000 -0.2500000), wk = 0.0029412 k( 294) = ( 0.5000000 0.5000000 -0.2608696), wk = 0.0029412 k( 295) = ( 0.5000000 0.5000000 -0.2717391), wk = 0.0029412 k( 296) = ( 0.5000000 0.5000000 -0.2826087), wk = 0.0029412 k( 297) = ( 0.5000000 0.5000000 -0.2934783), wk = 0.0029412 k( 298) = ( 0.5000000 0.5000000 -0.3043478), wk = 0.0029412 k( 299) = ( 0.5000000 0.5000000 -0.3152174), wk = 0.0029412 k( 300) = ( 0.5000000 0.5000000 -0.3260870), wk = 0.0029412 k( 301) = ( 0.5000000 0.5000000 -0.3369565), wk = 0.0029412 k( 302) = ( 0.5000000 0.5000000 -0.3478261), wk = 0.0029412 k( 303) = ( 0.5000000 0.5000000 -0.3586957), wk = 0.0029412 k( 304) = ( 0.5000000 0.5000000 -0.3695652), wk = 0.0029412 k( 305) = ( 0.5000000 0.5000000 -0.3804348), wk = 0.0029412 k( 306) = ( 0.5000000 0.5000000 -0.3913044), wk = 0.0029412 k( 307) = ( 0.5000000 0.5000000 -0.4021739), wk = 0.0029412 k( 308) = ( 0.5000000 0.5000000 -0.4130435), wk = 0.0029412 k( 309) = ( 0.5000000 0.5000000 -0.4239130), wk = 0.0029412 k( 310) = ( 0.5000000 0.5000000 -0.4347826), wk = 0.0029412 k( 311) = ( 0.5000000 0.5000000 -0.4456522), wk = 0.0029412 k( 312) = ( 0.5000000 0.5000000 -0.4565217), wk = 0.0029412 k( 313) = ( 0.5000000 0.5000000 -0.4673913), wk = 0.0029412 k( 314) = ( 0.5000000 0.5000000 -0.4782609), wk = 0.0029412 k( 315) = ( 0.5000000 0.5000000 -0.4891304), wk = 0.0029412 k( 316) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029412 k( 317) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029412 k( 318) = ( 0.0108696 0.0108696 0.4891304), wk = 0.0029412 k( 319) = ( 0.0217391 0.0217391 0.4782609), wk = 0.0029412 k( 320) = ( 0.0326087 0.0326087 0.4673913), wk = 0.0029412 k( 321) = ( 0.0434783 0.0434783 0.4565217), wk = 0.0029412 k( 322) = ( 0.0543478 0.0543478 0.4456522), wk = 0.0029412 k( 323) = ( 0.0652174 0.0652174 0.4347826), wk = 0.0029412 k( 324) = ( 0.0760870 0.0760870 0.4239130), wk = 0.0029412 k( 325) = ( 0.0869565 0.0869565 0.4130435), wk = 0.0029412 k( 326) = ( 0.0978261 0.0978261 0.4021739), wk = 0.0029412 k( 327) = ( 0.1086957 0.1086957 0.3913044), wk = 0.0029412 k( 328) = ( 0.1195652 0.1195652 0.3804348), wk = 0.0029412 k( 329) = ( 0.1304348 0.1304348 0.3695652), wk = 0.0029412 k( 330) = ( 0.1413043 0.1413043 0.3586957), wk = 0.0029412 k( 331) = ( 0.1521739 0.1521739 0.3478261), wk = 0.0029412 k( 332) = ( 0.1630435 0.1630435 0.3369565), wk = 0.0029412 k( 333) = ( 0.1739130 0.1739130 0.3260870), wk = 0.0029412 k( 334) = ( 0.1847826 0.1847826 0.3152174), wk = 0.0029412 k( 335) = ( 0.1956522 0.1956522 0.3043478), wk = 0.0029412 k( 336) = ( 0.2065217 0.2065217 0.2934783), wk = 0.0029412 k( 337) = ( 0.2173913 0.2173913 0.2826087), wk = 0.0029412 k( 338) = ( 0.2282609 0.2282609 0.2717391), wk = 0.0029412 k( 339) = ( 0.2391304 0.2391304 0.2608696), wk = 0.0029412 k( 340) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029412 Dense grid: 60087 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 26565 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 222, 40) NL pseudopotentials 0.14 Mb ( 111, 84) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1878) G-vector shells 0.00 Mb ( 383) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.54 Mb ( 222, 160) Each subspace H/S matrix 0.39 Mb ( 160, 160) Each matrix 0.10 Mb ( 84, 2, 40) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./SiO2.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.1 secs Computing kpt #: 2 total cpu time spent up to now is 4.1 secs Computing kpt #: 3 total cpu time spent up to now is 5.0 secs Computing kpt #: 4 total cpu time spent up to now is 5.9 secs Computing kpt #: 5 total cpu time spent up to now is 6.9 secs Computing kpt #: 6 total cpu time spent up to now is 7.8 secs Computing kpt #: 7 total cpu time spent up to now is 8.7 secs Computing kpt #: 8 total cpu time spent up to now is 9.6 secs Computing kpt #: 9 total cpu time spent up to now is 10.5 secs Computing kpt #: 10 total cpu time spent up to now is 11.4 secs Computing kpt #: 11 total cpu time spent up to now is 12.2 secs Computing kpt #: 12 total cpu time spent up to now is 13.1 secs Computing kpt #: 13 total cpu time spent up to now is 14.0 secs Computing kpt #: 14 total cpu time spent up to now is 14.9 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 16.6 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 18.3 secs Computing kpt #: 19 total cpu time spent up to now is 19.1 secs Computing kpt #: 20 total cpu time spent up to now is 19.9 secs Computing kpt #: 21 total cpu time spent up to now is 20.8 secs Computing kpt #: 22 total cpu time spent up to now is 21.6 secs Computing kpt #: 23 total cpu time spent up to now is 22.5 secs Computing kpt #: 24 total cpu time spent up to now is 23.3 secs Computing kpt #: 25 total cpu time spent up to now is 24.1 secs Computing kpt #: 26 total cpu time spent up to now is 25.0 secs Computing kpt #: 27 total cpu time spent up to now is 25.9 secs Computing kpt #: 28 total cpu time spent up to now is 26.7 secs Computing kpt #: 29 total cpu time spent up to now is 27.6 secs Computing kpt #: 30 total cpu time spent up to now is 28.5 secs Computing kpt #: 31 total cpu time spent up to now is 29.4 secs Computing kpt #: 32 total cpu time spent up to now is 30.3 secs Computing kpt #: 33 total cpu time spent up to now is 31.3 secs Computing kpt #: 34 total cpu time spent up to now is 32.2 secs Computing kpt #: 35 total cpu time spent up to now is 33.1 secs Computing kpt #: 36 total cpu time spent up to now is 34.1 secs Computing kpt #: 37 total cpu time spent up to now is 35.2 secs Computing kpt #: 38 total cpu time spent up to now is 36.2 secs Computing kpt #: 39 total cpu time spent up to now is 37.3 secs Computing kpt #: 40 total cpu time spent up to now is 38.3 secs Computing kpt #: 41 total cpu time spent up to now is 39.4 secs Computing kpt #: 42 total cpu time spent up to now is 40.5 secs Computing kpt #: 43 total cpu time spent up to now is 41.7 secs Computing kpt #: 44 total cpu time spent up to now is 42.9 secs Computing kpt #: 45 total cpu time spent up to now is 44.0 secs Computing kpt #: 46 total cpu time spent up to now is 44.9 secs Computing kpt #: 47 total cpu time spent up to now is 45.9 secs Computing kpt #: 48 total cpu time spent up to now is 47.0 secs Computing kpt #: 49 total cpu time spent up to now is 48.0 secs Computing kpt #: 50 total cpu time spent up to now is 49.0 secs Computing kpt #: 51 total cpu time spent up to now is 50.0 secs Computing kpt #: 52 total cpu time spent up to now is 51.1 secs Computing kpt #: 53 total cpu time spent up to now is 52.2 secs Computing kpt #: 54 total cpu time spent up to now is 53.2 secs Computing kpt #: 55 total cpu time spent up to now is 54.2 secs Computing kpt #: 56 total cpu time spent up to now is 55.2 secs Computing kpt #: 57 total cpu time spent up to now is 56.2 secs Computing kpt #: 58 total cpu time spent up to now is 57.1 secs Computing kpt #: 59 total cpu time spent up to now is 58.1 secs Computing kpt #: 60 total cpu time spent up to now is 59.1 secs Computing kpt #: 61 total cpu time spent up to now is 60.0 secs Computing kpt #: 62 total cpu time spent up to now is 60.9 secs Computing kpt #: 63 total cpu time spent up to now is 61.7 secs Computing kpt #: 64 total cpu time spent up to now is 62.6 secs Computing kpt #: 65 total cpu time spent up to now is 63.5 secs Computing kpt #: 66 total cpu time spent up to now is 64.3 secs Computing kpt #: 67 total cpu time spent up to now is 65.2 secs Computing kpt #: 68 total cpu time spent up to now is 66.1 secs Computing kpt #: 69 total cpu time spent up to now is 66.9 secs Computing kpt #: 70 total cpu time spent up to now is 67.8 secs Computing kpt #: 71 total cpu time spent up to now is 68.6 secs Computing kpt #: 72 total cpu time spent up to now is 69.5 secs Computing kpt #: 73 total cpu time spent up to now is 70.4 secs Computing kpt #: 74 total cpu time spent up to now is 71.2 secs Computing kpt #: 75 total cpu time spent up to now is 72.1 secs Computing kpt #: 76 total cpu time spent up to now is 73.0 secs Computing kpt #: 77 total cpu time spent up to now is 73.8 secs Computing kpt #: 78 total cpu time spent up to now is 74.7 secs Computing kpt #: 79 total cpu time spent up to now is 75.6 secs Computing kpt #: 80 total cpu time spent up to now is 76.5 secs Computing kpt #: 81 total cpu time spent up to now is 77.4 secs Computing kpt #: 82 total cpu time spent up to now is 78.2 secs Computing kpt #: 83 total cpu time spent up to now is 79.1 secs Computing kpt #: 84 total cpu time spent up to now is 80.0 secs Computing kpt #: 85 total cpu time spent up to now is 80.9 secs Computing kpt #: 86 total cpu time spent up to now is 81.8 secs Computing kpt #: 87 total cpu time spent up to now is 82.6 secs Computing kpt #: 88 total cpu time spent up to now is 83.5 secs Computing kpt #: 89 total cpu time spent up to now is 84.4 secs Computing kpt #: 90 total cpu time spent up to now is 85.2 secs Computing kpt #: 91 total cpu time spent up to now is 86.1 secs Computing kpt #: 92 total cpu time spent up to now is 87.0 secs Computing kpt #: 93 total cpu time spent up to now is 87.9 secs Computing kpt #: 94 total cpu time spent up to now is 88.8 secs Computing kpt #: 95 total cpu time spent up to now is 89.7 secs Computing kpt #: 96 total cpu time spent up to now is 91.0 secs Computing kpt #: 97 total cpu time spent up to now is 92.8 secs Computing kpt #: 98 total cpu time spent up to now is 94.7 secs Computing kpt #: 99 total cpu time spent up to now is 95.6 secs Computing kpt #: 100 total cpu time spent up to now is 96.6 secs Computing kpt #: 101 total cpu time spent up to now is 97.6 secs Computing kpt #: 102 total cpu time spent up to now is 98.6 secs Computing kpt #: 103 total cpu time spent up to now is 99.6 secs Computing kpt #: 104 total cpu time spent up to now is 100.6 secs Computing kpt #: 105 total cpu time spent up to now is 101.6 secs Computing kpt #: 106 total cpu time spent up to now is 102.6 secs Computing kpt #: 107 total cpu time spent up to now is 103.6 secs Computing kpt #: 108 total cpu time spent up to now is 104.7 secs Computing kpt #: 109 total cpu time spent up to now is 105.7 secs Computing kpt #: 110 total cpu time spent up to now is 106.7 secs Computing kpt #: 111 total cpu time spent up to now is 107.7 secs Computing kpt #: 112 total cpu time spent up to now is 108.7 secs Computing kpt #: 113 total cpu time spent up to now is 109.7 secs Computing kpt #: 114 total cpu time spent up to now is 110.6 secs Computing kpt #: 115 total cpu time spent up to now is 111.6 secs Computing kpt #: 116 total cpu time spent up to now is 112.6 secs Computing kpt #: 117 total cpu time spent up to now is 113.5 secs Computing kpt #: 118 total cpu time spent up to now is 114.4 secs Computing kpt #: 119 total cpu time spent up to now is 115.4 secs Computing kpt #: 120 total cpu time spent up to now is 116.4 secs Computing kpt #: 121 total cpu time spent up to now is 117.3 secs Computing kpt #: 122 total cpu time spent up to now is 118.2 secs Computing kpt #: 123 total cpu time spent up to now is 119.1 secs Computing kpt #: 124 total cpu time spent up to now is 120.0 secs Computing kpt #: 125 total cpu time spent up to now is 121.0 secs Computing kpt #: 126 total cpu time spent up to now is 122.0 secs Computing kpt #: 127 total cpu time spent up to now is 122.9 secs Computing kpt #: 128 total cpu time spent up to now is 123.9 secs Computing kpt #: 129 total cpu time spent up to now is 124.8 secs Computing kpt #: 130 total cpu time spent up to now is 125.7 secs Computing kpt #: 131 total cpu time spent up to now is 126.7 secs Computing kpt #: 132 total cpu time spent up to now is 127.7 secs Computing kpt #: 133 total cpu time spent up to now is 128.6 secs Computing kpt #: 134 total cpu time spent up to now is 129.7 secs Computing kpt #: 135 total cpu time spent up to now is 130.6 secs Computing kpt #: 136 total cpu time spent up to now is 131.6 secs Computing kpt #: 137 total cpu time spent up to now is 132.6 secs Computing kpt #: 138 total cpu time spent up to now is 133.6 secs Computing kpt #: 139 total cpu time spent up to now is 134.6 secs Computing kpt #: 140 total cpu time spent up to now is 135.6 secs Computing kpt #: 141 total cpu time spent up to now is 136.5 secs Computing kpt #: 142 total cpu time spent up to now is 137.5 secs Computing kpt #: 143 total cpu time spent up to now is 138.5 secs Computing kpt #: 144 total cpu time spent up to now is 139.5 secs Computing kpt #: 145 total cpu time spent up to now is 140.4 secs Computing kpt #: 146 total cpu time spent up to now is 141.4 secs Computing kpt #: 147 total cpu time spent up to now is 142.4 secs Computing kpt #: 148 total cpu time spent up to now is 143.5 secs Computing kpt #: 149 total cpu time spent up to now is 144.7 secs Computing kpt #: 150 total cpu time spent up to now is 145.9 secs Computing kpt #: 151 total cpu time spent up to now is 146.8 secs Computing kpt #: 152 total cpu time spent up to now is 147.7 secs Computing kpt #: 153 total cpu time spent up to now is 148.6 secs Computing kpt #: 154 total cpu time spent up to now is 149.5 secs Computing kpt #: 155 total cpu time spent up to now is 150.4 secs Computing kpt #: 156 total cpu time spent up to now is 151.3 secs Computing kpt #: 157 total cpu time spent up to now is 152.1 secs Computing kpt #: 158 total cpu time spent up to now is 153.0 secs Computing kpt #: 159 total cpu time spent up to now is 153.9 secs Computing kpt #: 160 total cpu time spent up to now is 154.8 secs Computing kpt #: 161 total cpu time spent up to now is 155.7 secs Computing kpt #: 162 total cpu time spent up to now is 156.5 secs Computing kpt #: 163 total cpu time spent up to now is 157.4 secs Computing kpt #: 164 total cpu time spent up to now is 158.3 secs Computing kpt #: 165 total cpu time spent up to now is 159.2 secs Computing kpt #: 166 total cpu time spent up to now is 160.0 secs Computing kpt #: 167 total cpu time spent up to now is 160.9 secs Computing kpt #: 168 total cpu time spent up to now is 161.8 secs Computing kpt #: 169 total cpu time spent up to now is 162.6 secs Computing kpt #: 170 total cpu time spent up to now is 163.5 secs Computing kpt #: 171 total cpu time spent up to now is 164.4 secs Computing kpt #: 172 total cpu time spent up to now is 165.3 secs Computing kpt #: 173 total cpu time spent up to now is 166.1 secs Computing kpt #: 174 total cpu time spent up to now is 167.0 secs Computing kpt #: 175 total cpu time spent up to now is 167.8 secs Computing kpt #: 176 total cpu time spent up to now is 168.7 secs Computing kpt #: 177 total cpu time spent up to now is 169.5 secs Computing kpt #: 178 total cpu time spent up to now is 170.4 secs Computing kpt #: 179 total cpu time spent up to now is 171.2 secs Computing kpt #: 180 total cpu time spent up to now is 172.1 secs Computing kpt #: 181 total cpu time spent up to now is 172.9 secs Computing kpt #: 182 total cpu time spent up to now is 173.7 secs Computing kpt #: 183 total cpu time spent up to now is 174.6 secs Computing kpt #: 184 total cpu time spent up to now is 175.4 secs Computing kpt #: 185 total cpu time spent up to now is 176.2 secs Computing kpt #: 186 total cpu time spent up to now is 177.1 secs Computing kpt #: 187 total cpu time spent up to now is 178.0 secs Computing kpt #: 188 total cpu time spent up to now is 178.8 secs Computing kpt #: 189 total cpu time spent up to now is 179.7 secs Computing kpt #: 190 total cpu time spent up to now is 180.5 secs Computing kpt #: 191 total cpu time spent up to now is 181.4 secs Computing kpt #: 192 total cpu time spent up to now is 182.3 secs Computing kpt #: 193 total cpu time spent up to now is 183.1 secs Computing kpt #: 194 total cpu time spent up to now is 184.0 secs Computing kpt #: 195 total cpu time spent up to now is 184.8 secs Computing kpt #: 196 total cpu time spent up to now is 185.7 secs Computing kpt #: 197 total cpu time spent up to now is 186.6 secs Computing kpt #: 198 total cpu time spent up to now is 187.4 secs Computing kpt #: 199 total cpu time spent up to now is 188.3 secs Computing kpt #: 200 total cpu time spent up to now is 189.1 secs Computing kpt #: 201 total cpu time spent up to now is 190.0 secs Computing kpt #: 202 total cpu time spent up to now is 190.9 secs Computing kpt #: 203 total cpu time spent up to now is 191.8 secs Computing kpt #: 204 total cpu time spent up to now is 192.7 secs Computing kpt #: 205 total cpu time spent up to now is 193.5 secs Computing kpt #: 206 total cpu time spent up to now is 194.5 secs Computing kpt #: 207 total cpu time spent up to now is 195.4 secs Computing kpt #: 208 total cpu time spent up to now is 196.3 secs Computing kpt #: 209 total cpu time spent up to now is 197.2 secs Computing kpt #: 210 total cpu time spent up to now is 198.2 secs Computing kpt #: 211 total cpu time spent up to now is 199.1 secs Computing kpt #: 212 total cpu time spent up to now is 200.1 secs Computing kpt #: 213 total cpu time spent up to now is 201.1 secs Computing kpt #: 214 total cpu time spent up to now is 202.1 secs Computing kpt #: 215 total cpu time spent up to now is 203.1 secs Computing kpt #: 216 total cpu time spent up to now is 204.1 secs Computing kpt #: 217 total cpu time spent up to now is 205.1 secs Computing kpt #: 218 total cpu time spent up to now is 206.1 secs Computing kpt #: 219 total cpu time spent up to now is 207.1 secs Computing kpt #: 220 total cpu time spent up to now is 208.1 secs Computing kpt #: 221 total cpu time spent up to now is 209.0 secs Computing kpt #: 222 total cpu time spent up to now is 209.9 secs Computing kpt #: 223 total cpu time spent up to now is 210.9 secs Computing kpt #: 224 total cpu time spent up to now is 211.9 secs Computing kpt #: 225 total cpu time spent up to now is 212.8 secs Computing kpt #: 226 total cpu time spent up to now is 213.7 secs Computing kpt #: 227 total cpu time spent up to now is 214.6 secs Computing kpt #: 228 total cpu time spent up to now is 215.5 secs Computing kpt #: 229 total cpu time spent up to now is 216.4 secs Computing kpt #: 230 total cpu time spent up to now is 217.3 secs Computing kpt #: 231 total cpu time spent up to now is 218.3 secs Computing kpt #: 232 total cpu time spent up to now is 219.2 secs Computing kpt #: 233 total cpu time spent up to now is 220.1 secs Computing kpt #: 234 total cpu time spent up to now is 221.0 secs Computing kpt #: 235 total cpu time spent up to now is 221.9 secs Computing kpt #: 236 total cpu time spent up to now is 222.8 secs Computing kpt #: 237 total cpu time spent up to now is 223.7 secs Computing kpt #: 238 total cpu time spent up to now is 224.6 secs Computing kpt #: 239 total cpu time spent up to now is 225.6 secs Computing kpt #: 240 total cpu time spent up to now is 226.4 secs Computing kpt #: 241 total cpu time spent up to now is 227.3 secs Computing kpt #: 242 total cpu time spent up to now is 228.2 secs Computing kpt #: 243 total cpu time spent up to now is 229.1 secs Computing kpt #: 244 total cpu time spent up to now is 229.9 secs Computing kpt #: 245 total cpu time spent up to now is 230.8 secs Computing kpt #: 246 total cpu time spent up to now is 231.7 secs Computing kpt #: 247 total cpu time spent up to now is 232.6 secs Computing kpt #: 248 total cpu time spent up to now is 233.5 secs Computing kpt #: 249 total cpu time spent up to now is 234.4 secs Computing kpt #: 250 total cpu time spent up to now is 235.2 secs Computing kpt #: 251 total cpu time spent up to now is 236.1 secs Computing kpt #: 252 total cpu time spent up to now is 237.0 secs Computing kpt #: 253 total cpu time spent up to now is 237.9 secs Computing kpt #: 254 total cpu time spent up to now is 238.8 secs Computing kpt #: 255 total cpu time spent up to now is 239.6 secs Computing kpt #: 256 total cpu time spent up to now is 240.5 secs Computing kpt #: 257 total cpu time spent up to now is 241.4 secs Computing kpt #: 258 total cpu time spent up to now is 242.2 secs Computing kpt #: 259 total cpu time spent up to now is 243.1 secs Computing kpt #: 260 total cpu time spent up to now is 244.0 secs Computing kpt #: 261 total cpu time spent up to now is 244.8 secs Computing kpt #: 262 total cpu time spent up to now is 245.7 secs Computing kpt #: 263 total cpu time spent up to now is 246.5 secs Computing kpt #: 264 total cpu time spent up to now is 247.4 secs Computing kpt #: 265 total cpu time spent up to now is 248.3 secs Computing kpt #: 266 total cpu time spent up to now is 249.2 secs Computing kpt #: 267 total cpu time spent up to now is 250.1 secs Computing kpt #: 268 total cpu time spent up to now is 250.9 secs Computing kpt #: 269 total cpu time spent up to now is 251.8 secs Computing kpt #: 270 total cpu time spent up to now is 252.7 secs Computing kpt #: 271 total cpu time spent up to now is 253.6 secs Computing kpt #: 272 total cpu time spent up to now is 254.5 secs Computing kpt #: 273 total cpu time spent up to now is 255.4 secs Computing kpt #: 274 total cpu time spent up to now is 256.3 secs Computing kpt #: 275 total cpu time spent up to now is 257.2 secs Computing kpt #: 276 total cpu time spent up to now is 258.1 secs Computing kpt #: 277 total cpu time spent up to now is 259.0 secs Computing kpt #: 278 total cpu time spent up to now is 259.9 secs Computing kpt #: 279 total cpu time spent up to now is 260.8 secs Computing kpt #: 280 total cpu time spent up to now is 261.7 secs Computing kpt #: 281 total cpu time spent up to now is 262.6 secs Computing kpt #: 282 total cpu time spent up to now is 263.5 secs Computing kpt #: 283 total cpu time spent up to now is 264.4 secs Computing kpt #: 284 total cpu time spent up to now is 265.3 secs Computing kpt #: 285 total cpu time spent up to now is 266.1 secs Computing kpt #: 286 total cpu time spent up to now is 267.0 secs Computing kpt #: 287 total cpu time spent up to now is 267.9 secs Computing kpt #: 288 total cpu time spent up to now is 268.8 secs Computing kpt #: 289 total cpu time spent up to now is 269.6 secs Computing kpt #: 290 total cpu time spent up to now is 270.5 secs Computing kpt #: 291 total cpu time spent up to now is 271.4 secs Computing kpt #: 292 total cpu time spent up to now is 272.2 secs Computing kpt #: 293 total cpu time spent up to now is 273.1 secs Computing kpt #: 294 total cpu time spent up to now is 273.9 secs Computing kpt #: 295 total cpu time spent up to now is 274.8 secs Computing kpt #: 296 total cpu time spent up to now is 275.7 secs Computing kpt #: 297 total cpu time spent up to now is 276.5 secs Computing kpt #: 298 total cpu time spent up to now is 277.3 secs Computing kpt #: 299 total cpu time spent up to now is 278.1 secs Computing kpt #: 300 total cpu time spent up to now is 279.0 secs Computing kpt #: 301 total cpu time spent up to now is 279.8 secs Computing kpt #: 302 total cpu time spent up to now is 280.6 secs Computing kpt #: 303 total cpu time spent up to now is 281.5 secs Computing kpt #: 304 total cpu time spent up to now is 282.3 secs Computing kpt #: 305 total cpu time spent up to now is 283.2 secs Computing kpt #: 306 total cpu time spent up to now is 284.0 secs Computing kpt #: 307 total cpu time spent up to now is 284.8 secs Computing kpt #: 308 total cpu time spent up to now is 285.7 secs Computing kpt #: 309 total cpu time spent up to now is 286.5 secs Computing kpt #: 310 total cpu time spent up to now is 287.4 secs Computing kpt #: 311 total cpu time spent up to now is 288.2 secs Computing kpt #: 312 total cpu time spent up to now is 289.0 secs Computing kpt #: 313 total cpu time spent up to now is 289.9 secs Computing kpt #: 314 total cpu time spent up to now is 290.7 secs Computing kpt #: 315 total cpu time spent up to now is 291.5 secs Computing kpt #: 316 total cpu time spent up to now is 292.4 secs Computing kpt #: 317 total cpu time spent up to now is 293.4 secs Computing kpt #: 318 total cpu time spent up to now is 294.4 secs Computing kpt #: 319 total cpu time spent up to now is 295.4 secs Computing kpt #: 320 total cpu time spent up to now is 296.4 secs Computing kpt #: 321 total cpu time spent up to now is 297.5 secs Computing kpt #: 322 total cpu time spent up to now is 298.5 secs Computing kpt #: 323 total cpu time spent up to now is 299.5 secs Computing kpt #: 324 total cpu time spent up to now is 300.5 secs Computing kpt #: 325 total cpu time spent up to now is 301.5 secs Computing kpt #: 326 total cpu time spent up to now is 302.5 secs Computing kpt #: 327 total cpu time spent up to now is 303.4 secs Computing kpt #: 328 total cpu time spent up to now is 304.3 secs Computing kpt #: 329 total cpu time spent up to now is 305.2 secs Computing kpt #: 330 total cpu time spent up to now is 306.1 secs Computing kpt #: 331 total cpu time spent up to now is 307.0 secs Computing kpt #: 332 total cpu time spent up to now is 307.9 secs Computing kpt #: 333 total cpu time spent up to now is 308.7 secs Computing kpt #: 334 total cpu time spent up to now is 309.6 secs Computing kpt #: 335 total cpu time spent up to now is 310.5 secs Computing kpt #: 336 total cpu time spent up to now is 311.4 secs Computing kpt #: 337 total cpu time spent up to now is 312.2 secs Computing kpt #: 338 total cpu time spent up to now is 313.1 secs Computing kpt #: 339 total cpu time spent up to now is 314.0 secs Computing kpt #: 340 total cpu time spent up to now is 314.8 secs ethr = 3.13E-11, avg # of iterations = 38.2 total cpu time spent up to now is 314.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3383 PWs) bands (ev): -18.5124 -18.5124 -16.4705 -16.4705 -16.4658 -16.4658 -16.3165 -16.3165 -8.5584 -8.5584 -4.8710 -4.8710 -4.8624 -4.8624 -4.5158 -4.5158 -1.8842 -1.8842 -1.3342 -1.3342 -0.9476 -0.9476 -0.9249 -0.9249 -0.8444 -0.8444 0.1242 0.1242 0.7016 0.7016 0.7117 0.7117 6.6061 6.6061 9.5536 9.5536 11.2886 11.2886 11.3126 11.3126 k = 0.0000 0.0000 0.0157 ( 3355 PWs) bands (ev): -18.5118 -18.5118 -16.4709 -16.4709 -16.4662 -16.4662 -16.3166 -16.3165 -8.5571 -8.5571 -4.8716 -4.8711 -4.8625 -4.8624 -4.5151 -4.5150 -1.8845 -1.8843 -1.3339 -1.3338 -0.9487 -0.9483 -0.9258 -0.9257 -0.8450 -0.8447 0.1242 0.1246 0.7010 0.7014 0.7112 0.7114 6.6088 6.6088 9.5548 9.5553 11.2662 11.2666 11.3024 11.3026 k = 0.0000 0.0000 0.0314 ( 3343 PWs) bands (ev): -18.5104 -18.5104 -16.4727 -16.4727 -16.4670 -16.4669 -16.3169 -16.3168 -8.5531 -8.5531 -4.8737 -4.8727 -4.8620 -4.8619 -4.5131 -4.5128 -1.8853 -1.8848 -1.3328 -1.3327 -0.9517 -0.9510 -0.9282 -0.9280 -0.8464 -0.8459 0.1246 0.1254 0.6996 0.7003 0.7098 0.7102 6.6167 6.6167 9.5588 9.5598 11.2185 11.2191 11.2971 11.2971 k = 0.0000 0.0000 0.0471 ( 3335 PWs) bands (ev): -18.5079 -18.5079 -16.4764 -16.4763 -16.4675 -16.4674 -16.3174 -16.3172 -8.5466 -8.5466 -4.8785 -4.8771 -4.8596 -4.8595 -4.5098 -4.5094 -1.8866 -1.8858 -1.3310 -1.3308 -0.9574 -0.9564 -0.9314 -0.9311 -0.8488 -0.8480 0.1254 0.1267 0.6972 0.6984 0.7076 0.7083 6.6299 6.6299 9.5656 9.5671 11.1675 11.1682 11.2911 11.2913 k = 0.0000 0.0000 0.0629 ( 3335 PWs) bands (ev): -18.5044 -18.5044 -16.4820 -16.4819 -16.4678 -16.4676 -16.3181 -16.3178 -8.5374 -8.5374 -4.8858 -4.8842 -4.8553 -4.8553 -4.5052 -4.5047 -1.8883 -1.8873 -1.3285 -1.3282 -0.9663 -0.9650 -0.9348 -0.9343 -0.8520 -0.8511 0.1266 0.1283 0.6940 0.6956 0.7046 0.7055 6.6483 6.6483 9.5752 9.5772 11.1164 11.1172 11.2834 11.2836 k = 0.0000 0.0000 0.0786 ( 3347 PWs) bands (ev): -18.5000 -18.5000 -16.4893 -16.4892 -16.4680 -16.4678 -16.3189 -16.3186 -8.5257 -8.5257 -4.8955 -4.8935 -4.8496 -4.8494 -4.4994 -4.4988 -1.8905 -1.8892 -1.3253 -1.3249 -0.9786 -0.9771 -0.9379 -0.9374 -0.8562 -0.8552 0.1280 0.1302 0.6899 0.6920 0.7008 0.7021 6.6718 6.6718 9.5874 9.5900 11.0660 11.0669 11.2736 11.2739 k = 0.0000 0.0000 0.0943 ( 3351 PWs) bands (ev): -18.4946 -18.4946 -16.4984 -16.4982 -16.4681 -16.4678 -16.3200 -16.3195 -8.5114 -8.5114 -4.9071 -4.9050 -4.8425 -4.8422 -4.4925 -4.4919 -1.8932 -1.8917 -1.3213 -1.3209 -0.9939 -0.9923 -0.9408 -0.9403 -0.8612 -0.8602 0.1297 0.1324 0.6850 0.6876 0.6963 0.6979 6.7004 6.7004 9.6023 9.6054 11.0168 11.0178 11.2621 11.2624 k = 0.0000 0.0000 0.1100 ( 3347 PWs) bands (ev): -18.4882 -18.4882 -16.5090 -16.5089 -16.4681 -16.4678 -16.3212 -16.3207 -8.4946 -8.4946 -4.9208 -4.9185 -4.8340 -4.8336 -4.4846 -4.4839 -1.8964 -1.8947 -1.3165 -1.3160 -1.0121 -1.0105 -0.9438 -0.9432 -0.8672 -0.8662 0.1315 0.1347 0.6792 0.6823 0.6911 0.6930 6.7339 6.7339 9.6198 9.6235 10.9690 10.9699 11.2489 11.2491 k = 0.0000 0.0000 0.1257 ( 3339 PWs) bands (ev): -18.4808 -18.4808 -16.5213 -16.5211 -16.4682 -16.4678 -16.3226 -16.3220 -8.4753 -8.4753 -4.9363 -4.9338 -4.8242 -4.8237 -4.4758 -4.4752 -1.9002 -1.8981 -1.3110 -1.3105 -1.0327 -1.0311 -0.9468 -0.9462 -0.8741 -0.8732 0.1334 0.1371 0.6725 0.6762 0.6854 0.6876 6.7722 6.7722 9.6397 9.6439 10.9227 10.9236 11.2341 11.2342 k = 0.0000 0.0000 0.1414 ( 3339 PWs) bands (ev): -18.4725 -18.4724 -16.5350 -16.5348 -16.4682 -16.4678 -16.3241 -16.3235 -8.4536 -8.4536 -4.9535 -4.9510 -4.8132 -4.8126 -4.4661 -4.4656 -1.9045 -1.9021 -1.3047 -1.3041 -1.0557 -1.0541 -0.9500 -0.9493 -0.8820 -0.8811 0.1352 0.1395 0.6650 0.6693 0.6790 0.6815 6.8153 6.8153 9.6620 9.6667 10.8781 10.8791 11.2179 11.2179 k = 0.0000 0.0000 0.1571 ( 3355 PWs) bands (ev): -18.4632 -18.4631 -16.5503 -16.5501 -16.4682 -16.4677 -16.3258 -16.3252 -8.4294 -8.4294 -4.9725 -4.9699 -4.8010 -4.8003 -4.4557 -4.4553 -1.9093 -1.9067 -1.2977 -1.2971 -1.0806 -1.0790 -0.9532 -0.9526 -0.8908 -0.8901 0.1370 0.1418 0.6568 0.6615 0.6721 0.6749 6.8629 6.8629 9.6864 9.6917 10.8353 10.8363 11.2004 11.2005 k = 0.0000 0.0000 0.1728 ( 3347 PWs) bands (ev): -18.4529 -18.4529 -16.5670 -16.5668 -16.4682 -16.4677 -16.3277 -16.3270 -8.4029 -8.4029 -4.9932 -4.9905 -4.7876 -4.7868 -4.4446 -4.4443 -1.9147 -1.9118 -1.2900 -1.2894 -1.1073 -1.1057 -0.9566 -0.9559 -0.9006 -0.8999 0.1386 0.1440 0.6478 0.6531 0.6648 0.6678 6.9149 6.9149 9.7129 9.7188 10.7946 10.7956 11.1818 11.1822 k = 0.0000 0.0000 0.1886 ( 3339 PWs) bands (ev): -18.4417 -18.4417 -16.5851 -16.5849 -16.4681 -16.4676 -16.3297 -16.3290 -8.3740 -8.3740 -5.0156 -5.0128 -4.7730 -4.7721 -4.4330 -4.4327 -1.9206 -1.9174 -1.2817 -1.2810 -1.1355 -1.1339 -0.9600 -0.9593 -0.9114 -0.9108 0.1399 0.1460 0.6381 0.6439 0.6570 0.6602 6.9711 6.9711 9.7412 9.7477 10.7560 10.7571 11.1626 11.1633 k = 0.0000 0.0000 0.2043 ( 3331 PWs) bands (ev): -18.4295 -18.4295 -16.6046 -16.6044 -16.4680 -16.4674 -16.3318 -16.3311 -8.3429 -8.3429 -5.0396 -5.0368 -4.7574 -4.7564 -4.4207 -4.4207 -1.9270 -1.9236 -1.2729 -1.2722 -1.1649 -1.1633 -0.9634 -0.9626 -0.9230 -0.9225 0.1410 0.1477 0.6277 0.6341 0.6488 0.6522 7.0314 7.0314 9.7712 9.7783 10.7197 10.7207 11.1428 11.1439 k = 0.0000 0.0000 0.2200 ( 3331 PWs) bands (ev): -18.4164 -18.4164 -16.6254 -16.6252 -16.4679 -16.4673 -16.3342 -16.3334 -8.3096 -8.3096 -5.0653 -5.0625 -4.7407 -4.7396 -4.4081 -4.4080 -1.9340 -1.9302 -1.2637 -1.2630 -1.1955 -1.1938 -0.9668 -0.9659 -0.9354 -0.9349 0.1417 0.1491 0.6168 0.6236 0.6402 0.6438 7.0955 7.0956 9.8026 9.8104 10.6858 10.6868 11.1229 11.1243 k = 0.0000 0.0000 0.2357 ( 3339 PWs) bands (ev): -18.4024 -18.4024 -16.6475 -16.6473 -16.4678 -16.4671 -16.3366 -16.3358 -8.2742 -8.2742 -5.0925 -5.0898 -4.7230 -4.7219 -4.3952 -4.3949 -1.9413 -1.9373 -1.2546 -1.2537 -1.2267 -1.2251 -0.9705 -0.9695 -0.9480 -0.9475 0.1421 0.1501 0.6053 0.6126 0.6313 0.6349 7.1634 7.1634 9.8352 9.8436 10.6544 10.6554 11.1031 11.1049 k = 0.0000 0.0000 0.2514 ( 3335 PWs) bands (ev): -18.3875 -18.3874 -16.6707 -16.6705 -16.4676 -16.4669 -16.3392 -16.3383 -8.2367 -8.2366 -5.1214 -5.1187 -4.7044 -4.7032 -4.3818 -4.3813 -1.9491 -1.9448 -1.2600 -1.2573 -1.2443 -1.2443 -0.9763 -0.9753 -0.9587 -0.9582 0.1420 0.1507 0.5933 0.6011 0.6221 0.6258 7.2347 7.2348 9.8688 9.8778 10.6256 10.6265 11.0837 11.0860 k = 0.0000 0.0000 0.2671 ( 3335 PWs) bands (ev): -18.3716 -18.3716 -16.6951 -16.6949 -16.4674 -16.4667 -16.3419 -16.3410 -8.1971 -8.1971 -5.1519 -5.1492 -4.6849 -4.6836 -4.3682 -4.3675 -1.9573 -1.9527 -1.2920 -1.2896 -1.2359 -1.2356 -0.9874 -0.9864 -0.9641 -0.9635 0.1415 0.1508 0.5809 0.5891 0.6125 0.6163 7.3093 7.3094 9.9029 9.9127 10.5994 10.6004 11.0650 11.0679 k = 0.0000 0.0000 0.2828 ( 3335 PWs) bands (ev): -18.3549 -18.3548 -16.7206 -16.7204 -16.4672 -16.4664 -16.3447 -16.3437 -8.1556 -8.1556 -5.1840 -5.1814 -4.6646 -4.6632 -4.3543 -4.3534 -1.9657 -1.9608 -1.3248 -1.3223 -1.2278 -1.2275 -1.0026 -1.0015 -0.9649 -0.9642 0.1404 0.1504 0.5680 0.5767 0.6028 0.6067 7.3870 7.3872 9.9373 9.9478 10.5761 10.5771 11.0474 11.0508 k = 0.0000 0.0000 0.2986 ( 3343 PWs) bands (ev): -18.3372 -18.3372 -16.7472 -16.7470 -16.4669 -16.4660 -16.3476 -16.3466 -8.1123 -8.1123 -5.2177 -5.2151 -4.6435 -4.6420 -4.3403 -4.3392 -1.9744 -1.9692 -1.3578 -1.3550 -1.2208 -1.2206 -1.0198 -1.0186 -0.9628 -0.9621 0.1387 0.1494 0.5549 0.5640 0.5928 0.5968 7.4677 7.4678 9.9717 9.9828 10.5556 10.5566 11.0312 11.0352 k = 0.0000 0.0000 0.3143 ( 3343 PWs) bands (ev): -18.3187 -18.3187 -16.7747 -16.7745 -16.4665 -16.4657 -16.3506 -16.3496 -8.0671 -8.0671 -5.2531 -5.2505 -4.6217 -4.6202 -4.3260 -4.3248 -1.9832 -1.9777 -1.3907 -1.3877 -1.2154 -1.2153 -1.0382 -1.0368 -0.9582 -0.9575 0.1365 0.1477 0.5415 0.5510 0.5827 0.5867 7.5509 7.5511 10.0056 10.0174 10.5381 10.5390 11.0167 11.0213 k = 0.0000 0.0000 0.3300 ( 3343 PWs) bands (ev): -18.2993 -18.2993 -16.8032 -16.8030 -16.4661 -16.4652 -16.3537 -16.3527 -8.0203 -8.0202 -5.2900 -5.2875 -4.5994 -4.5977 -4.3118 -4.3103 -1.9921 -1.9863 -1.4234 -1.4201 -1.2119 -1.2117 -1.0575 -1.0559 -0.9509 -0.9502 0.1336 0.1454 0.5279 0.5378 0.5725 0.5766 7.6367 7.6369 10.0386 10.0511 10.5236 10.5244 11.0043 11.0095 k = 0.0000 0.0000 0.3457 ( 3343 PWs) bands (ev): -18.2791 -18.2791 -16.8325 -16.8323 -16.4657 -16.4647 -16.3568 -16.3558 -7.9717 -7.9717 -5.3285 -5.3261 -4.5765 -4.5748 -4.2975 -4.2958 -2.0010 -1.9949 -1.4558 -1.4522 -1.2105 -1.2101 -1.0776 -1.0758 -0.9408 -0.9402 0.1299 0.1422 0.5142 0.5245 0.5623 0.5663 7.7247 7.7249 10.0703 10.0835 10.5121 10.5129 10.9943 11.0001 k = 0.0000 0.0000 0.3614 ( 3343 PWs) bands (ev): -18.2581 -18.2580 -16.8626 -16.8624 -16.4651 -16.4642 -16.3601 -16.3590 -7.9216 -7.9216 -5.3686 -5.3663 -4.5532 -4.5514 -4.2832 -4.2814 -2.0097 -2.0033 -1.4877 -1.4837 -1.2113 -1.2107 -1.0983 -1.0962 -0.9280 -0.9274 0.1255 0.1382 0.5005 0.5111 0.5520 0.5560 7.8147 7.8150 10.1002 10.1140 10.5037 10.5045 10.9870 10.9934 k = 0.0000 0.0000 0.3771 ( 3343 PWs) bands (ev): -18.2362 -18.2361 -16.8935 -16.8933 -16.4645 -16.4636 -16.3633 -16.3623 -7.8700 -7.8699 -5.4103 -5.4081 -4.5296 -4.5277 -4.2691 -4.2671 -2.0183 -2.0116 -1.5190 -1.5147 -1.2142 -1.2133 -1.1196 -1.1171 -0.9124 -0.9119 0.1202 0.1332 0.4870 0.4978 0.5417 0.5458 7.9065 7.9069 10.1278 10.1421 10.4984 10.4993 10.9828 10.9896 k = 0.0000 0.0000 0.3928 ( 3343 PWs) bands (ev): -18.2135 -18.2134 -16.9251 -16.9249 -16.4639 -16.4629 -16.3667 -16.3656 -7.8169 -7.8169 -5.4535 -5.4514 -4.5057 -4.5037 -4.2552 -4.2530 -2.0265 -2.0195 -1.5497 -1.5449 -1.2191 -1.2179 -1.1412 -1.1384 -0.8943 -0.8939 0.1138 0.1272 0.4737 0.4847 0.5315 0.5356 7.9999 8.0003 10.1527 10.1674 10.4963 10.4971 10.9818 10.9890 k = 0.0000 0.0000 0.4086 ( 3343 PWs) bands (ev): -18.1900 -18.1900 -16.9573 -16.9571 -16.4631 -16.4621 -16.3701 -16.3690 -7.7625 -7.7625 -5.4983 -5.4962 -4.4817 -4.4796 -4.2416 -4.2392 -2.0343 -2.0271 -1.5797 -1.5744 -1.2256 -1.2242 -1.1631 -1.1598 -0.8740 -0.8736 0.1064 0.1199 0.4609 0.4719 0.5214 0.5254 8.0946 8.0951 10.1745 10.1895 10.4974 10.4982 10.9843 10.9917 k = 0.0000 0.0000 0.4243 ( 3327 PWs) bands (ev): -18.1657 -18.1657 -16.9900 -16.9899 -16.4623 -16.4613 -16.3735 -16.3723 -7.7069 -7.7068 -5.5445 -5.5426 -4.4576 -4.4554 -4.2284 -4.2258 -2.0417 -2.0341 -1.6089 -1.6031 -1.2336 -1.2319 -1.1849 -1.1812 -0.8516 -0.8513 0.0978 0.1114 0.4485 0.4595 0.5114 0.5154 8.1905 8.1910 10.1927 10.2078 10.5017 10.5024 10.9903 10.9978 k = 0.0000 0.0000 0.4400 ( 3339 PWs) bands (ev): -18.1407 -18.1407 -17.0234 -17.0232 -16.4614 -16.4603 -16.3769 -16.3758 -7.6500 -7.6499 -5.5923 -5.5904 -4.4336 -4.4313 -4.2155 -4.2128 -2.0484 -2.0405 -1.6372 -1.6310 -1.2428 -1.2409 -1.2067 -1.2025 -0.8275 -0.8272 0.0879 0.1014 0.4369 0.4476 0.5016 0.5055 8.2871 8.2877 10.2071 10.2222 10.5092 10.5099 10.9997 11.0071 k = 0.0000 0.0000 0.4557 ( 3347 PWs) bands (ev): -18.1150 -18.1149 -17.0572 -17.0570 -16.4604 -16.4593 -16.3804 -16.3792 -7.5921 -7.5920 -5.6415 -5.6397 -4.4098 -4.4074 -4.2032 -4.2003 -2.0544 -2.0463 -1.6648 -1.6580 -1.2531 -1.2510 -1.2282 -1.2233 -0.8019 -0.8016 0.0766 0.0898 0.4260 0.4364 0.4919 0.4958 8.3843 8.3850 10.2175 10.2323 10.5198 10.5204 11.0124 11.0196 k = 0.0000 0.0000 0.4714 ( 3347 PWs) bands (ev): -18.0885 -18.0885 -17.0913 -17.0912 -16.4594 -16.4582 -16.3838 -16.3827 -7.5331 -7.5330 -5.6921 -5.6904 -4.3862 -4.3837 -4.1915 -4.1884 -2.0596 -2.0512 -1.6914 -1.6842 -1.2643 -1.2621 -1.2489 -1.2434 -0.7749 -0.7746 0.0637 0.0766 0.4161 0.4261 0.4825 0.4863 8.4818 8.4827 10.2236 10.2380 10.5336 10.5341 11.0282 11.0349 k = 0.0000 0.0000 0.4871 ( 3347 PWs) bands (ev): -18.0613 -18.0613 -17.1259 -17.1258 -16.4582 -16.4570 -16.3873 -16.3861 -7.4731 -7.4730 -5.7440 -5.7425 -4.3631 -4.3605 -4.1804 -4.1772 -2.0639 -2.0552 -1.7173 -1.7095 -1.2769 -1.2745 -1.2682 -1.2622 -0.7467 -0.7464 0.0493 0.0617 0.4072 0.4166 0.4733 0.4771 8.5794 8.5804 10.2254 10.2394 10.5505 10.5510 11.0464 11.0526 k = 0.0000 0.0000 0.5028 ( 3338 PWs) bands (ev): -18.0335 -18.0334 -17.1608 -17.1607 -16.4569 -16.4557 -16.3907 -16.3895 -7.4123 -7.4122 -5.7973 -5.7958 -4.3404 -4.3378 -4.1701 -4.1668 -2.0672 -2.0582 -1.7423 -1.7339 -1.2925 -1.2889 -1.2842 -1.2784 -0.7176 -0.7172 0.0333 0.0451 0.3994 0.4082 0.4645 0.4681 8.6767 8.6778 10.2230 10.2362 10.5705 10.5709 11.0668 11.0722 k = 0.0000 0.0000 0.5185 ( 3346 PWs) bands (ev): -18.0050 -18.0049 -17.1959 -17.1958 -16.4556 -16.4544 -16.3942 -16.3929 -7.3507 -7.3506 -5.8518 -5.8504 -4.3184 -4.3157 -4.1606 -4.1572 -2.0695 -2.0602 -1.7665 -1.7576 -1.3100 -1.3051 -1.2974 -1.2921 -0.6875 -0.6871 0.0157 0.0267 0.3927 0.4007 0.4559 0.4594 8.7735 8.7747 10.2161 10.2287 10.5935 10.5938 11.0885 11.0931 k = 0.0000 0.0000 0.5343 ( 3346 PWs) bands (ev): -17.9758 -17.9758 -17.2312 -17.2311 -16.4541 -16.4529 -16.3976 -16.3963 -7.2884 -7.2882 -5.9075 -5.9062 -4.2971 -4.2943 -4.1520 -4.1486 -2.0706 -2.0611 -1.7899 -1.7805 -1.3271 -1.3213 -1.3099 -1.3047 -0.6568 -0.6562 -0.0036 0.0067 0.3871 0.3943 0.4476 0.4510 8.8694 8.8709 10.2048 10.2166 10.6194 10.6196 11.1108 11.1145 k = 0.0000 0.0000 0.5500 ( 3346 PWs) bands (ev): -17.9461 -17.9460 -17.2667 -17.2666 -16.4525 -16.4513 -16.4009 -16.3997 -7.2255 -7.2253 -5.9644 -5.9632 -4.2767 -4.2738 -4.1445 -4.1409 -2.0705 -2.0607 -1.8126 -1.8027 -1.3430 -1.3366 -1.3221 -1.3168 -0.6254 -0.6248 -0.0245 -0.0150 0.3825 0.3889 0.4397 0.4430 8.9642 8.9658 10.1891 10.2002 10.6482 10.6483 11.1329 11.1356 k = 0.0000 0.0000 0.5657 ( 3326 PWs) bands (ev): -17.9157 -17.9157 -17.3023 -17.3022 -16.4508 -16.4496 -16.4042 -16.4030 -7.1620 -7.1618 -6.0223 -6.0212 -4.2572 -4.2542 -4.1380 -4.1344 -2.0692 -2.0591 -1.8345 -1.8242 -1.3575 -1.3506 -1.3340 -1.3285 -0.5935 -0.5927 -0.0469 -0.0382 0.3791 0.3846 0.4322 0.4353 9.0575 9.0594 10.1690 10.1793 10.6797 10.6798 11.1537 11.1554 k = 0.0000 0.0000 0.5814 ( 3326 PWs) bands (ev): -17.8848 -17.8848 -17.3380 -17.3379 -16.4491 -16.4478 -16.4075 -16.4062 -7.0981 -7.0978 -6.0813 -6.0802 -4.2388 -4.2357 -4.1326 -4.1290 -2.0665 -2.0562 -1.8557 -1.8451 -1.3703 -1.3630 -1.3455 -1.3397 -0.5612 -0.5603 -0.0707 -0.0628 0.3765 0.3812 0.4250 0.4279 9.1491 9.1511 10.1443 10.1538 10.7138 10.7139 11.1716 11.1723 k = 0.0000 0.0000 0.5971 ( 3326 PWs) bands (ev): -17.8534 -17.8533 -17.3737 -17.3736 -16.4472 -16.4459 -16.4107 -16.4094 -7.0338 -7.0335 -6.1412 -6.1402 -4.2215 -4.2183 -4.1285 -4.1249 -2.0625 -2.0519 -1.8762 -1.8652 -1.3814 -1.3738 -1.3565 -1.3504 -0.5286 -0.5276 -0.0958 -0.0887 0.3749 0.3788 0.4183 0.4210 9.2385 9.2408 10.1150 10.1238 10.7503 10.7504 11.1847 11.1850 k = 0.0000 0.0000 0.6128 ( 3326 PWs) bands (ev): -17.8214 -17.8214 -17.4094 -17.4093 -16.4452 -16.4440 -16.4139 -16.4126 -6.9692 -6.9689 -6.2019 -6.2010 -4.2055 -4.2022 -4.1257 -4.1220 -2.0571 -2.0463 -1.8960 -1.8847 -1.3906 -1.3828 -1.3668 -1.3604 -0.4959 -0.4946 -0.1222 -0.1158 0.3742 0.3773 0.4120 0.4144 9.3255 9.3280 10.0811 10.0892 10.7890 10.7892 11.1906 11.1918 k = 0.0000 0.0000 0.6285 ( 3318 PWs) bands (ev): -17.7890 -17.7889 -17.4450 -17.4449 -16.4432 -16.4419 -16.4170 -16.4157 -6.9044 -6.9040 -6.2635 -6.2626 -4.1907 -4.1874 -4.1242 -4.1205 -2.0503 -2.0393 -1.9150 -1.9035 -1.3980 -1.3900 -1.3763 -1.3697 -0.4630 -0.4615 -0.1497 -0.1440 0.3742 0.3766 0.4061 0.4083 9.4097 9.4126 10.0425 10.0499 10.8296 10.8300 11.1881 11.1899 k = 0.0000 0.0000 0.6443 ( 3318 PWs) bands (ev): -17.7561 -17.7560 -17.4805 -17.4804 -16.4410 -16.4397 -16.4200 -16.4187 -6.8394 -6.8391 -6.3257 -6.3250 -4.1774 -4.1740 -4.1242 -4.1204 -2.0422 -2.0310 -1.9332 -1.9215 -1.4034 -1.3954 -1.3848 -1.3779 -0.4301 -0.4283 -0.1783 -0.1731 0.3749 0.3767 0.4007 0.4026 9.4909 9.4940 9.9991 10.0059 10.8719 10.8725 11.1758 11.1781 k = 0.0000 0.0000 0.6600 ( 3314 PWs) bands (ev): -17.7228 -17.7227 -17.5158 -17.5157 -16.4387 -16.4374 -16.4229 -16.4216 -6.7745 -6.7741 -6.3886 -6.3879 -4.1654 -4.1620 -4.1255 -4.1218 -2.0328 -2.0214 -1.9505 -1.9388 -1.4070 -1.3989 -1.3923 -1.3851 -0.3972 -0.3952 -0.2077 -0.2032 0.3764 0.3776 0.3957 0.3973 9.5687 9.5722 9.9511 9.9573 10.9154 10.9162 11.1539 11.1562 k = 0.0000 0.0000 0.6757 ( 3314 PWs) bands (ev): -17.6891 -17.6890 -17.5510 -17.5509 -16.4363 -16.4350 -16.4258 -16.4245 -6.7096 -6.7091 -6.4520 -6.4514 -4.1550 -4.1515 -4.1284 -4.1247 -2.0220 -2.0104 -1.9669 -1.9551 -1.4087 -1.4006 -1.3985 -1.3911 -0.3646 -0.3623 -0.2379 -0.2339 0.3785 0.3791 0.3913 0.3925 9.6428 9.6467 9.8983 9.9040 10.9596 10.9606 11.1237 11.1259 k = 0.0000 0.0000 0.6914 ( 3306 PWs) bands (ev): -17.6550 -17.6549 -17.5859 -17.5859 -16.4338 -16.4325 -16.4285 -16.4272 -6.6448 -6.6443 -6.5159 -6.5153 -4.1460 -4.1425 -4.1327 -4.1291 -2.0100 -1.9983 -1.9824 -1.9706 -1.4086 -1.4034 -1.4006 -1.3958 -0.3323 -0.3296 -0.2688 -0.2653 0.3812 0.3813 0.3874 0.3882 9.7131 9.7174 9.8410 9.8462 11.0037 11.0050 11.0873 11.0892 k = 0.0000 0.0000 0.7071 ( 3306 PWs) bands (ev): -17.6206 -17.6206 -17.6206 -17.6206 -16.4312 -16.4312 -16.4299 -16.4299 -6.5802 -6.5802 -6.5797 -6.5797 -4.1386 -4.1386 -4.1350 -4.1350 -1.9967 -1.9967 -1.9850 -1.9850 -1.4068 -1.4068 -1.3990 -1.3990 -0.3003 -0.3003 -0.2972 -0.2972 0.3840 0.3840 0.3844 0.3844 9.7792 9.7792 9.7839 9.7839 11.0467 11.0467 11.0483 11.0483 k = 0.0000 0.0000 0.7071 ( 3306 PWs) bands (ev): -17.6206 -17.6206 -17.6206 -17.6206 -16.4312 -16.4312 -16.4299 -16.4299 -6.5802 -6.5802 -6.5797 -6.5797 -4.1386 -4.1386 -4.1350 -4.1350 -1.9967 -1.9967 -1.9850 -1.9850 -1.4068 -1.4068 -1.3990 -1.3990 -0.3003 -0.3003 -0.2972 -0.2972 0.3840 0.3840 0.3844 0.3844 9.7792 9.7792 9.7839 9.7839 11.0467 11.0467 11.0483 11.0483 k =-0.0109 0.0109 0.7071 ( 3306 PWs) bands (ev): -17.6206 -17.6206 -17.6205 -17.6205 -16.4313 -16.4313 -16.4300 -16.4300 -6.5799 -6.5799 -6.5793 -6.5793 -4.1389 -4.1389 -4.1353 -4.1353 -1.9971 -1.9971 -1.9853 -1.9853 -1.4060 -1.4060 -1.3982 -1.3982 -0.3003 -0.3003 -0.2972 -0.2972 0.3832 0.3832 0.3838 0.3838 9.7803 9.7803 9.7850 9.7850 11.0450 11.0450 11.0469 11.0469 k =-0.0217 0.0217 0.7071 ( 3314 PWs) bands (ev): -17.6205 -17.6205 -17.6202 -17.6202 -16.4316 -16.4316 -16.4302 -16.4302 -6.5791 -6.5791 -6.5783 -6.5783 -4.1399 -4.1399 -4.1363 -4.1363 -1.9982 -1.9982 -1.9863 -1.9863 -1.4037 -1.4037 -1.3958 -1.3958 -0.3001 -0.3001 -0.2970 -0.2970 0.3807 0.3807 0.3818 0.3818 9.7833 9.7833 9.7880 9.7880 11.0397 11.0397 11.0426 11.0426 k =-0.0326 0.0326 0.7071 ( 3318 PWs) bands (ev): -17.6202 -17.6202 -17.6199 -17.6199 -16.4320 -16.4320 -16.4307 -16.4307 -6.5776 -6.5776 -6.5766 -6.5766 -4.1414 -4.1414 -4.1378 -4.1378 -1.9999 -1.9999 -1.9880 -1.9880 -1.3999 -1.3999 -1.3919 -1.3919 -0.2999 -0.2999 -0.2967 -0.2967 0.3767 0.3767 0.3783 0.3783 9.7884 9.7884 9.7932 9.7932 11.0311 11.0311 11.0349 11.0349 k =-0.0435 0.0435 0.7071 ( 3324 PWs) bands (ev): -17.6199 -17.6199 -17.6195 -17.6195 -16.4327 -16.4327 -16.4313 -16.4313 -6.5756 -6.5756 -6.5743 -6.5743 -4.1436 -4.1436 -4.1399 -4.1399 -2.0022 -2.0022 -1.9902 -1.9902 -1.3948 -1.3948 -1.3865 -1.3865 -0.2996 -0.2996 -0.2964 -0.2964 0.3712 0.3712 0.3735 0.3735 9.7956 9.7956 9.8004 9.8004 11.0188 11.0188 11.0236 11.0236 k =-0.0543 0.0543 0.7071 ( 3328 PWs) bands (ev): -17.6194 -17.6194 -17.6189 -17.6189 -16.4335 -16.4335 -16.4320 -16.4320 -6.5730 -6.5730 -6.5714 -6.5714 -4.1463 -4.1463 -4.1426 -4.1426 -2.0050 -2.0050 -1.9928 -1.9928 -1.3883 -1.3883 -1.3798 -1.3798 -0.2993 -0.2993 -0.2960 -0.2960 0.3644 0.3644 0.3672 0.3672 9.8048 9.8048 9.8096 9.8096 11.0025 11.0025 11.0084 11.0084 k =-0.0652 0.0652 0.7071 ( 3330 PWs) bands (ev): -17.6188 -17.6188 -17.6182 -17.6182 -16.4345 -16.4345 -16.4329 -16.4329 -6.5698 -6.5698 -6.5680 -6.5680 -4.1496 -4.1496 -4.1458 -4.1458 -2.0082 -2.0082 -1.9959 -1.9959 -1.3807 -1.3807 -1.3720 -1.3720 -0.2990 -0.2990 -0.2956 -0.2956 0.3563 0.3563 0.3597 0.3597 9.8160 9.8160 9.8208 9.8208 10.9821 10.9821 10.9888 10.9888 k =-0.0761 0.0761 0.7071 ( 3330 PWs) bands (ev): -17.6182 -17.6182 -17.6175 -17.6175 -16.4356 -16.4356 -16.4340 -16.4340 -6.5660 -6.5660 -6.5640 -6.5640 -4.1533 -4.1533 -4.1495 -4.1495 -2.0116 -2.0116 -1.9993 -1.9993 -1.3721 -1.3721 -1.3631 -1.3631 -0.2987 -0.2987 -0.2953 -0.2953 0.3470 0.3470 0.3510 0.3510 9.8292 9.8292 9.8341 9.8341 10.9573 10.9573 10.9648 10.9648 k =-0.0870 0.0870 0.7071 ( 3332 PWs) bands (ev): -17.6174 -17.6174 -17.6166 -17.6166 -16.4369 -16.4369 -16.4353 -16.4353 -6.5617 -6.5617 -6.5594 -6.5594 -4.1576 -4.1576 -4.1537 -4.1537 -2.0153 -2.0153 -2.0028 -2.0028 -1.3625 -1.3625 -1.3533 -1.3533 -0.2986 -0.2986 -0.2950 -0.2950 0.3366 0.3366 0.3412 0.3412 9.8444 9.8444 9.8493 9.8493 10.9281 10.9281 10.9362 10.9362 k =-0.0978 0.0978 0.7071 ( 3336 PWs) bands (ev): -17.6165 -17.6165 -17.6156 -17.6156 -16.4384 -16.4384 -16.4366 -16.4366 -6.5569 -6.5569 -6.5544 -6.5544 -4.1623 -4.1623 -4.1583 -4.1583 -2.0190 -2.0190 -2.0063 -2.0063 -1.3523 -1.3523 -1.3429 -1.3429 -0.2988 -0.2988 -0.2950 -0.2950 0.3253 0.3253 0.3304 0.3304 9.8616 9.8616 9.8665 9.8665 10.8946 10.8946 10.9031 10.9031 k =-0.1087 0.1087 0.7071 ( 3332 PWs) bands (ev): -17.6155 -17.6155 -17.6145 -17.6145 -16.4400 -16.4400 -16.4382 -16.4382 -6.5516 -6.5516 -6.5488 -6.5488 -4.1673 -4.1673 -4.1633 -4.1633 -2.0226 -2.0226 -2.0098 -2.0098 -1.3416 -1.3416 -1.3320 -1.3320 -0.2992 -0.2992 -0.2952 -0.2952 0.3131 0.3131 0.3189 0.3189 9.8807 9.8807 9.8857 9.8857 10.8572 10.8572 10.8660 10.8660 k =-0.1196 0.1196 0.7071 ( 3332 PWs) bands (ev): -17.6144 -17.6144 -17.6134 -17.6134 -16.4418 -16.4418 -16.4398 -16.4398 -6.5459 -6.5459 -6.5429 -6.5429 -4.1727 -4.1727 -4.1686 -4.1686 -2.0260 -2.0260 -2.0132 -2.0132 -1.3305 -1.3305 -1.3207 -1.3207 -0.3001 -0.3001 -0.2958 -0.2958 0.3004 0.3004 0.3068 0.3068 9.9017 9.9017 9.9067 9.9067 10.8164 10.8164 10.8253 10.8253 k =-0.1304 0.1304 0.7071 ( 3330 PWs) bands (ev): -17.6133 -17.6133 -17.6121 -17.6121 -16.4436 -16.4436 -16.4416 -16.4416 -6.5398 -6.5398 -6.5366 -6.5366 -4.1783 -4.1783 -4.1742 -4.1742 -2.0292 -2.0292 -2.0163 -2.0163 -1.3192 -1.3192 -1.3092 -1.3092 -0.3015 -0.3015 -0.2969 -0.2969 0.2872 0.2872 0.2944 0.2944 9.9245 9.9245 9.9297 9.9297 10.7726 10.7726 10.7816 10.7816 k =-0.1413 0.1413 0.7071 ( 3330 PWs) bands (ev): -17.6120 -17.6120 -17.6108 -17.6108 -16.4456 -16.4456 -16.4435 -16.4435 -6.5333 -6.5333 -6.5299 -6.5299 -4.1841 -4.1841 -4.1799 -4.1799 -2.0320 -2.0320 -2.0190 -2.0190 -1.3078 -1.3078 -1.2976 -1.2976 -0.3037 -0.3037 -0.2987 -0.2987 0.2739 0.2739 0.2817 0.2817 9.9492 9.9492 9.9545 9.9545 10.7266 10.7266 10.7355 10.7355 k =-0.1522 0.1522 0.7071 ( 3322 PWs) bands (ev): -17.6107 -17.6107 -17.6094 -17.6094 -16.4477 -16.4477 -16.4456 -16.4456 -6.5265 -6.5265 -6.5229 -6.5229 -4.1901 -4.1901 -4.1859 -4.1859 -2.0344 -2.0344 -2.0212 -2.0212 -1.2965 -1.2965 -1.2862 -1.2862 -0.3068 -0.3068 -0.3014 -0.3014 0.2606 0.2606 0.2691 0.2691 9.9757 9.9757 9.9811 9.9811 10.6788 10.6788 10.6876 10.6876 k =-0.1630 0.1630 0.7071 ( 3330 PWs) bands (ev): -17.6093 -17.6093 -17.6079 -17.6079 -16.4499 -16.4499 -16.4477 -16.4477 -6.5195 -6.5195 -6.5156 -6.5156 -4.1962 -4.1962 -4.1919 -4.1919 -2.0362 -2.0362 -2.0230 -2.0230 -1.2854 -1.2854 -1.2750 -1.2750 -0.3110 -0.3110 -0.3052 -0.3052 0.2477 0.2477 0.2569 0.2569 10.0040 10.0040 10.0094 10.0094 10.6298 10.6298 10.6384 10.6384 k =-0.1739 0.1739 0.7071 ( 3332 PWs) bands (ev): -17.6078 -17.6078 -17.6064 -17.6064 -16.4522 -16.4522 -16.4499 -16.4499 -6.5121 -6.5121 -6.5081 -6.5081 -4.2024 -4.2024 -4.1980 -4.1980 -2.0374 -2.0374 -2.0242 -2.0242 -1.2747 -1.2747 -1.2642 -1.2642 -0.3164 -0.3164 -0.3102 -0.3102 0.2355 0.2355 0.2453 0.2453 10.0339 10.0339 10.0394 10.0394 10.5800 10.5800 10.5885 10.5885 k =-0.1848 0.1848 0.7071 ( 3320 PWs) bands (ev): -17.6063 -17.6063 -17.6049 -17.6049 -16.4545 -16.4545 -16.4522 -16.4522 -6.5046 -6.5046 -6.5004 -6.5004 -4.2085 -4.2085 -4.2041 -4.2041 -2.0380 -2.0380 -2.0247 -2.0247 -1.2645 -1.2645 -1.2539 -1.2539 -0.3233 -0.3233 -0.3167 -0.3167 0.2241 0.2241 0.2345 0.2345 10.0654 10.0654 10.0711 10.0711 10.5300 10.5300 10.5383 10.5383 k =-0.1957 0.1957 0.7071 ( 3314 PWs) bands (ev): -17.6047 -17.6047 -17.6032 -17.6032 -16.4569 -16.4569 -16.4546 -16.4546 -6.4970 -6.4970 -6.4927 -6.4927 -4.2145 -4.2145 -4.2101 -4.2101 -2.0378 -2.0378 -2.0245 -2.0245 -1.2548 -1.2548 -1.2442 -1.2442 -0.3317 -0.3317 -0.3248 -0.3248 0.2140 0.2140 0.2249 0.2249 10.0983 10.0983 10.1043 10.1043 10.4800 10.4800 10.4881 10.4881 k =-0.2065 0.2065 0.7071 ( 3320 PWs) bands (ev): -17.6031 -17.6031 -17.6016 -17.6016 -16.4594 -16.4594 -16.4570 -16.4570 -6.4892 -6.4892 -6.4848 -6.4848 -4.2204 -4.2204 -4.2159 -4.2159 -2.0369 -2.0369 -2.0236 -2.0236 -1.2459 -1.2459 -1.2352 -1.2352 -0.3420 -0.3420 -0.3346 -0.3346 0.2052 0.2052 0.2165 0.2165 10.1326 10.1326 10.1389 10.1389 10.4305 10.4305 10.4385 10.4385 k =-0.2174 0.2174 0.7071 ( 3324 PWs) bands (ev): -17.6015 -17.6015 -17.5999 -17.5999 -16.4619 -16.4619 -16.4595 -16.4595 -6.4814 -6.4814 -6.4769 -6.4769 -4.2262 -4.2262 -4.2217 -4.2217 -2.0352 -2.0352 -2.0219 -2.0219 -1.2377 -1.2377 -1.2270 -1.2270 -0.3540 -0.3540 -0.3464 -0.3464 0.1980 0.1980 0.2097 0.2097 10.1677 10.1677 10.1745 10.1745 10.3820 10.3820 10.3899 10.3899 k =-0.2283 0.2283 0.7071 ( 3316 PWs) bands (ev): -17.5998 -17.5998 -17.5982 -17.5982 -16.4645 -16.4645 -16.4620 -16.4620 -6.4736 -6.4736 -6.4690 -6.4690 -4.2317 -4.2317 -4.2272 -4.2272 -2.0327 -2.0327 -2.0194 -2.0194 -1.2304 -1.2304 -1.2197 -1.2197 -0.3678 -0.3678 -0.3601 -0.3601 0.1926 0.1926 0.2044 0.2044 10.2024 10.2024 10.2105 10.2105 10.3356 10.3356 10.3437 10.3437 k =-0.2391 0.2391 0.7071 ( 3316 PWs) bands (ev): -17.5981 -17.5981 -17.5965 -17.5965 -16.4670 -16.4670 -16.4646 -16.4646 -6.4658 -6.4658 -6.4611 -6.4611 -4.2369 -4.2369 -4.2324 -4.2324 -2.0293 -2.0293 -2.0160 -2.0160 -1.2241 -1.2241 -1.2133 -1.2133 -0.3835 -0.3835 -0.3757 -0.3757 0.1889 0.1889 0.2009 0.2009 10.2304 10.2304 10.2409 10.2409 10.2974 10.2974 10.3061 10.3061 k =-0.2500 0.2500 0.7071 ( 3316 PWs) bands (ev): -17.5964 -17.5964 -17.5948 -17.5948 -16.4696 -16.4696 -16.4672 -16.4672 -6.4581 -6.4581 -6.4534 -6.4534 -4.2419 -4.2419 -4.2374 -4.2374 -2.0251 -2.0251 -2.0118 -2.0118 -1.2188 -1.2188 -1.2080 -1.2080 -0.4008 -0.4008 -0.3930 -0.3930 0.1870 0.1870 0.1989 0.1989 10.2217 10.2217 10.2293 10.2293 10.3041 10.3041 10.3069 10.3069 k =-0.2500 0.2500 0.7071 ( 3316 PWs) bands (ev): -17.5964 -17.5964 -17.5948 -17.5948 -16.4696 -16.4696 -16.4672 -16.4672 -6.4581 -6.4581 -6.4534 -6.4534 -4.2419 -4.2419 -4.2374 -4.2374 -2.0251 -2.0251 -2.0118 -2.0118 -1.2188 -1.2188 -1.2080 -1.2080 -0.4008 -0.4008 -0.3930 -0.3930 0.1870 0.1870 0.1989 0.1989 10.2217 10.2217 10.2293 10.2293 10.3041 10.3041 10.3069 10.3069 k =-0.2578 0.2578 0.6961 ( 3316 PWs) bands (ev): -17.6116 -17.6112 -17.5774 -17.5770 -16.4728 -16.4714 -16.4690 -16.4676 -6.4872 -6.4846 -6.4159 -6.4133 -4.2538 -4.2503 -4.2363 -4.2327 -2.0323 -2.0271 -2.0022 -1.9969 -1.2311 -1.2245 -1.1959 -1.1893 -0.4174 -0.4107 -0.4094 -0.4029 0.1722 0.1797 0.2054 0.2127 10.1778 10.1793 10.2141 10.2156 10.2949 10.2964 10.3652 10.3665 k =-0.2656 0.2656 0.6850 ( 3326 PWs) bands (ev): -17.6265 -17.6261 -17.5599 -17.5594 -16.4760 -16.4746 -16.4694 -16.4678 -6.5160 -6.5134 -6.3764 -6.3738 -4.2663 -4.2627 -4.2316 -4.2279 -2.0412 -2.0360 -1.9840 -1.9785 -1.2466 -1.2400 -1.1748 -1.1681 -0.4355 -0.4280 -0.4188 -0.4117 0.1562 0.1639 0.2212 0.2285 10.1320 10.1337 10.1975 10.1991 10.2855 10.2867 10.4308 10.4323 k =-0.2734 0.2734 0.6740 ( 3318 PWs) bands (ev): -17.6405 -17.6401 -17.5433 -17.5428 -16.4792 -16.4777 -16.4696 -16.4680 -6.5432 -6.5407 -6.3386 -6.3359 -4.2789 -4.2754 -4.2271 -4.2235 -2.0500 -2.0449 -1.9640 -1.9585 -1.2642 -1.2576 -1.1524 -1.1459 -0.4552 -0.4480 -0.4257 -0.4190 0.1404 0.1480 0.2378 0.2448 10.0888 10.0905 10.1802 10.1819 10.2764 10.2773 10.4955 10.4971 k =-0.2812 0.2812 0.6629 ( 3318 PWs) bands (ev): -17.6535 -17.6532 -17.5276 -17.5271 -16.4822 -16.4808 -16.4698 -16.4681 -6.5689 -6.5664 -6.3027 -6.3000 -4.2915 -4.2880 -4.2230 -4.2193 -2.0584 -2.0535 -1.9426 -1.9371 -1.2836 -1.2771 -1.1291 -1.1226 -0.4766 -0.4696 -0.4310 -0.4245 0.1249 0.1325 0.2543 0.2610 10.0485 10.0502 10.1631 10.1648 10.2676 10.2682 10.5580 10.5598 k =-0.2891 0.2891 0.6519 ( 3316 PWs) bands (ev): -17.6656 -17.6652 -17.5130 -17.5125 -16.4850 -16.4837 -16.4699 -16.4683 -6.5929 -6.5904 -6.2688 -6.2661 -4.3039 -4.3005 -4.2192 -4.2155 -2.0663 -2.0616 -1.9200 -1.9146 -1.3047 -1.2984 -1.1048 -1.0985 -0.4993 -0.4925 -0.4346 -0.4285 0.1098 0.1173 0.2706 0.2768 10.0113 10.0129 10.1466 10.1482 10.2591 10.2596 10.6178 10.6198 k =-0.2969 0.2969 0.6408 ( 3318 PWs) bands (ev): -17.6767 -17.6763 -17.4994 -17.4989 -16.4876 -16.4864 -16.4701 -16.4684 -6.6151 -6.6126 -6.2371 -6.2344 -4.3159 -4.3126 -4.2156 -4.2120 -2.0736 -2.0691 -1.8963 -1.8910 -1.3273 -1.3212 -1.0799 -1.0736 -0.5232 -0.5167 -0.4368 -0.4309 0.0953 0.1027 0.2862 0.2920 9.9772 9.9787 10.1309 10.1325 10.2509 10.2514 10.6744 10.6765 k =-0.3047 0.3047 0.6298 ( 3320 PWs) bands (ev): -17.6868 -17.6864 -17.4869 -17.4864 -16.4901 -16.4889 -16.4702 -16.4685 -6.6355 -6.6330 -6.2077 -6.2051 -4.3275 -4.3243 -4.2125 -4.2088 -2.0804 -2.0760 -1.8716 -1.8663 -1.3515 -1.3455 -1.0542 -1.0481 -0.5482 -0.5419 -0.4376 -0.4321 0.0815 0.0888 0.3010 0.3063 9.9462 9.9477 10.1162 10.1177 10.2433 10.2437 10.7275 10.7297 k =-0.3125 0.3125 0.6187 ( 3326 PWs) bands (ev): -17.6958 -17.6955 -17.4756 -17.4751 -16.4924 -16.4912 -16.4703 -16.4686 -6.6539 -6.6515 -6.1808 -6.1782 -4.3384 -4.3353 -4.2096 -4.2059 -2.0865 -2.0822 -1.8461 -1.8408 -1.3768 -1.3709 -1.0279 -1.0219 -0.5741 -0.5679 -0.4374 -0.4323 0.0685 0.0758 0.3147 0.3196 9.9185 9.9199 10.1027 10.1041 10.2362 10.2366 10.7766 10.7790 k =-0.3203 0.3203 0.6077 ( 3323 PWs) bands (ev): -17.7038 -17.7035 -17.4655 -17.4650 -16.4944 -16.4933 -16.4704 -16.4687 -6.6704 -6.6680 -6.1566 -6.1541 -4.3485 -4.3455 -4.2070 -4.2034 -2.0919 -2.0878 -1.8197 -1.8146 -1.4032 -1.3974 -1.0011 -0.9951 -0.6006 -0.5947 -0.4363 -0.4317 0.0565 0.0637 0.3271 0.3316 9.8941 9.8953 10.0905 10.0917 10.2297 10.2301 10.8214 10.8240 k =-0.3281 0.3281 0.5966 ( 3327 PWs) bands (ev): -17.7108 -17.7105 -17.4566 -17.4561 -16.4962 -16.4952 -16.4705 -16.4687 -6.6847 -6.6824 -6.1353 -6.1328 -4.3576 -4.3547 -4.2048 -4.2012 -2.0967 -2.0927 -1.7928 -1.7876 -1.4304 -1.4248 -0.9738 -0.9679 -0.6278 -0.6220 -0.4346 -0.4305 0.0457 0.0527 0.3382 0.3423 9.8728 9.8740 10.0798 10.0808 10.2240 10.2244 10.8614 10.8643 k =-0.3359 0.3359 0.5856 ( 3320 PWs) bands (ev): -17.7167 -17.7164 -17.4491 -17.4486 -16.4977 -16.4968 -16.4705 -16.4688 -6.6970 -6.6946 -6.1169 -6.1144 -4.3656 -4.3628 -4.2030 -4.1993 -2.1008 -2.0968 -1.7653 -1.7602 -1.4581 -1.4526 -0.9462 -0.9403 -0.6554 -0.6497 -0.4326 -0.4290 0.0362 0.0431 0.3478 0.3515 9.8549 9.8559 10.0706 10.0715 10.2190 10.2194 10.8963 10.8994 k =-0.3438 0.3437 0.5745 ( 3315 PWs) bands (ev): -17.7216 -17.7213 -17.4428 -17.4423 -16.4989 -16.4981 -16.4706 -16.4688 -6.7071 -6.7048 -6.1017 -6.0992 -4.3723 -4.3697 -4.2014 -4.1977 -2.1041 -2.1003 -1.7376 -1.7326 -1.4861 -1.4808 -0.9184 -0.9125 -0.6832 -0.6777 -0.4304 -0.4275 0.0281 0.0349 0.3558 0.3591 9.8402 9.8411 10.0629 10.0637 10.2148 10.2153 10.9256 10.9290 k =-0.3516 0.3516 0.5635 ( 3315 PWs) bands (ev): -17.7253 -17.7251 -17.4380 -17.4375 -16.4999 -16.4992 -16.4706 -16.4689 -6.7150 -6.7127 -6.0897 -6.0873 -4.3777 -4.3751 -4.2002 -4.1965 -2.1068 -2.1029 -1.7101 -1.7053 -1.5138 -1.5088 -0.8907 -0.8846 -0.7110 -0.7057 -0.4284 -0.4261 0.0216 0.0283 0.3621 0.3651 9.8288 9.8296 10.0570 10.0575 10.2115 10.2120 10.9489 10.9525 k =-0.3594 0.3594 0.5524 ( 3311 PWs) bands (ev): -17.7280 -17.7278 -17.4345 -17.4340 -16.5006 -16.4999 -16.4707 -16.4689 -6.7206 -6.7183 -6.0810 -6.0787 -4.3816 -4.3791 -4.1993 -4.1957 -2.1086 -2.1049 -1.6836 -1.6792 -1.5402 -1.5356 -0.8633 -0.8571 -0.7384 -0.7333 -0.4267 -0.4251 0.0169 0.0235 0.3666 0.3694 9.8206 9.8214 10.0527 10.0531 10.2092 10.2097 10.9659 10.9696 k =-0.3672 0.3672 0.5414 ( 3316 PWs) bands (ev): -17.7297 -17.7294 -17.4324 -17.4319 -16.5011 -16.5004 -16.4707 -16.4689 -6.7240 -6.7217 -6.0758 -6.0735 -4.3840 -4.3815 -4.1988 -4.1952 -2.1098 -2.1060 -1.6606 -1.6574 -1.5622 -1.5588 -0.8381 -0.8314 -0.7636 -0.7591 -0.4255 -0.4246 0.0140 0.0206 0.3693 0.3720 9.8157 9.8165 10.0501 10.0503 10.2077 10.2082 10.9762 10.9800 k =-0.3750 0.3750 0.5303 ( 3322 PWs) bands (ev): -17.7302 -17.7299 -17.4317 -17.4312 -16.5012 -16.5005 -16.4707 -16.4689 -6.7252 -6.7229 -6.0741 -6.0717 -4.3848 -4.3823 -4.1987 -4.1950 -2.1101 -2.1064 -1.6489 -1.6485 -1.5712 -1.5706 -0.8242 -0.8168 -0.7775 -0.7738 -0.4249 -0.4246 0.0131 0.0196 0.3703 0.3728 9.8140 9.8148 10.0493 10.0494 10.2072 10.2077 10.9796 10.9835 k =-0.3750 0.3750 0.5303 ( 3322 PWs) bands (ev): -17.7302 -17.7299 -17.4317 -17.4312 -16.5012 -16.5005 -16.4707 -16.4689 -6.7252 -6.7229 -6.0741 -6.0717 -4.3848 -4.3823 -4.1987 -4.1950 -2.1101 -2.1064 -1.6489 -1.6485 -1.5712 -1.5706 -0.8242 -0.8168 -0.7775 -0.7738 -0.4249 -0.4246 0.0131 0.0196 0.3703 0.3728 9.8140 9.8148 10.0493 10.0494 10.2072 10.2077 10.9796 10.9835 k =-0.3670 0.3670 0.5190 ( 3318 PWs) bands (ev): -17.7493 -17.7490 -17.4141 -17.4135 -16.5006 -16.4999 -16.4666 -16.4648 -6.7679 -6.7656 -6.0400 -6.0376 -4.3981 -4.3955 -4.1927 -4.1890 -2.1256 -2.1218 -1.6325 -1.6321 -1.5864 -1.5861 -0.8327 -0.8249 -0.7275 -0.7238 -0.3952 -0.3949 -0.0204 -0.0135 0.3785 0.3811 9.8137 9.8140 10.0981 10.0983 10.1363 10.1383 10.9631 10.9675 k =-0.3590 0.3590 0.5078 ( 3320 PWs) bands (ev): -17.7691 -17.7689 -17.3955 -17.3950 -16.4999 -16.4992 -16.4624 -16.4605 -6.8123 -6.8099 -6.0048 -6.0023 -4.4119 -4.4092 -4.1872 -4.1835 -2.1392 -2.1353 -1.6162 -1.6150 -1.6007 -1.6002 -0.8413 -0.8332 -0.6774 -0.6739 -0.3656 -0.3651 -0.0550 -0.0477 0.3870 0.3896 9.7959 9.7976 10.0803 10.0842 10.1494 10.1497 10.9461 10.9513 k =-0.3511 0.3511 0.4965 ( 3320 PWs) bands (ev): -17.7896 -17.7894 -17.3761 -17.3755 -16.4992 -16.4985 -16.4581 -16.4562 -6.8579 -6.8557 -5.9684 -5.9658 -4.4262 -4.4233 -4.1823 -4.1785 -2.1509 -2.1469 -1.6164 -1.6149 -1.5970 -1.5961 -0.8501 -0.8416 -0.6274 -0.6240 -0.3360 -0.3354 -0.0905 -0.0829 0.3958 0.3983 9.7545 9.7575 10.0473 10.0530 10.2023 10.2027 10.9290 10.9348 k =-0.3431 0.3431 0.4852 ( 3318 PWs) bands (ev): -17.8107 -17.8104 -17.3558 -17.3552 -16.4985 -16.4978 -16.4537 -16.4517 -6.9049 -6.9026 -5.9311 -5.9284 -4.4409 -4.4379 -4.1779 -4.1741 -2.1605 -2.1564 -1.6287 -1.6280 -1.5787 -1.5784 -0.8590 -0.8502 -0.5774 -0.5743 -0.3065 -0.3057 -0.1268 -0.1189 0.4047 0.4072 9.6909 9.6944 10.0360 10.0429 10.2569 10.2574 10.9116 10.9182 k =-0.3351 0.3351 0.4739 ( 3318 PWs) bands (ev): -17.8323 -17.8321 -17.3347 -17.3341 -16.4978 -16.4970 -16.4492 -16.4472 -6.9530 -6.9508 -5.8930 -5.8902 -4.4560 -4.4528 -4.1742 -4.1704 -2.1681 -2.1639 -1.6406 -1.6401 -1.5599 -1.5597 -0.8680 -0.8589 -0.5278 -0.5250 -0.2772 -0.2761 -0.1636 -0.1555 0.4137 0.4163 9.6129 9.6164 10.0387 10.0461 10.3129 10.3136 10.8941 10.9015 k =-0.3271 0.3271 0.4626 ( 3318 PWs) bands (ev): -17.8544 -17.8542 -17.3128 -17.3121 -16.4970 -16.4962 -16.4446 -16.4426 -7.0021 -6.9999 -5.8542 -5.8514 -4.4714 -4.4681 -4.1712 -4.1675 -2.1736 -2.1692 -1.6516 -1.6512 -1.5407 -1.5404 -0.8770 -0.8677 -0.4786 -0.4762 -0.2485 -0.2466 -0.2006 -0.1926 0.4230 0.4255 9.5266 9.5299 10.0486 10.0564 10.3700 10.3708 10.8763 10.8847 k =-0.3191 0.3191 0.4513 ( 3310 PWs) bands (ev): -17.8769 -17.8767 -17.2902 -17.2895 -16.4962 -16.4954 -16.4400 -16.4379 -7.0521 -7.0500 -5.8149 -5.8120 -4.4871 -4.4837 -4.1690 -4.1654 -2.1770 -2.1725 -1.6615 -1.6613 -1.5211 -1.5208 -0.8861 -0.8765 -0.4300 -0.4280 -0.2406 -0.2307 -0.2173 -0.2165 0.4323 0.4348 9.4357 9.4388 10.0619 10.0701 10.4278 10.4288 10.8583 10.8676 k =-0.3112 0.3112 0.4401 ( 3308 PWs) bands (ev): -17.8997 -17.8995 -17.2668 -17.2661 -16.4953 -16.4945 -16.4354 -16.4333 -7.1029 -7.1008 -5.7753 -5.7724 -4.5030 -4.4994 -4.1677 -4.1641 -2.1783 -2.1737 -1.6702 -1.6701 -1.5012 -1.5009 -0.8952 -0.8853 -0.3822 -0.3808 -0.2772 -0.2677 -0.1896 -0.1876 0.4418 0.4442 9.3421 9.3449 10.0768 10.0852 10.4859 10.4871 10.8399 10.8502 k =-0.3032 0.3032 0.4288 ( 3320 PWs) bands (ev): -17.9228 -17.9226 -17.2428 -17.2421 -16.4945 -16.4936 -16.4307 -16.4286 -7.1543 -7.1523 -5.7354 -5.7325 -4.5190 -4.5154 -4.1672 -4.1637 -2.1776 -2.1728 -1.6778 -1.6776 -1.4811 -1.4807 -0.9044 -0.8942 -0.3355 -0.3348 -0.3146 -0.3052 -0.1611 -0.1583 0.4513 0.4536 9.2467 9.2492 10.0921 10.1008 10.5439 10.5453 10.8209 10.8321 k =-0.2952 0.2952 0.4175 ( 3320 PWs) bands (ev): -17.9461 -17.9459 -17.2182 -17.2175 -16.4936 -16.4928 -16.4260 -16.4239 -7.2063 -7.2044 -5.6955 -5.6925 -4.5352 -4.5314 -4.1676 -4.1643 -2.1748 -2.1698 -1.6841 -1.6837 -1.4609 -1.4604 -0.9136 -0.9031 -0.3525 -0.3425 -0.2902 -0.2896 -0.1324 -0.1286 0.4609 0.4632 9.1502 9.1525 10.1072 10.1163 10.6013 10.6029 10.8009 10.8131 k =-0.2872 0.2872 0.4062 ( 3316 PWs) bands (ev): -17.9696 -17.9694 -17.1930 -17.1923 -16.4927 -16.4918 -16.4213 -16.4192 -7.2587 -7.2569 -5.6556 -5.6526 -4.5514 -4.5475 -4.1690 -4.1657 -2.1701 -2.1649 -1.6890 -1.6884 -1.4406 -1.4400 -0.9228 -0.9120 -0.3895 -0.3793 -0.2475 -0.2458 -0.1034 -0.0985 0.4705 0.4727 9.0530 9.0551 10.1218 10.1312 10.6576 10.6594 10.7797 10.7929 k =-0.2793 0.2793 0.3949 ( 3316 PWs) bands (ev): -17.9931 -17.9930 -17.1673 -17.1666 -16.4917 -16.4909 -16.4166 -16.4145 -7.3115 -7.3097 -5.6159 -5.6129 -4.5676 -4.5636 -4.1713 -4.1682 -2.1635 -2.1582 -1.6924 -1.6916 -1.4203 -1.4196 -0.9320 -0.9208 -0.4261 -0.4157 -0.2070 -0.2040 -0.0738 -0.0676 0.4802 0.4823 8.9554 8.9574 10.1358 10.1453 10.7123 10.7143 10.7570 10.7710 k =-0.2713 0.2713 0.3836 ( 3328 PWs) bands (ev): -18.0167 -18.0165 -17.1412 -17.1404 -16.4908 -16.4900 -16.4119 -16.4098 -7.3644 -7.3628 -5.5766 -5.5736 -4.5838 -4.5797 -4.1746 -4.1717 -2.1552 -2.1497 -1.6941 -1.6932 -1.4002 -1.3993 -0.9411 -0.9296 -0.4619 -0.4513 -0.1693 -0.1649 -0.0433 -0.0357 0.4899 0.4919 8.8577 8.8594 10.1489 10.1587 10.7320 10.7470 10.7649 10.7671 k =-0.2633 0.2633 0.3724 ( 3328 PWs) bands (ev): -18.0402 -18.0401 -17.1146 -17.1138 -16.4898 -16.4890 -16.4072 -16.4052 -7.4175 -7.4159 -5.5378 -5.5348 -4.5999 -4.5957 -4.1789 -4.1761 -2.1453 -2.1396 -1.6941 -1.6929 -1.3804 -1.3793 -0.9502 -0.9383 -0.4969 -0.4860 -0.1346 -0.1289 -0.0113 -0.0025 0.4995 0.5015 8.7599 8.7615 10.1613 10.1712 10.7048 10.7206 10.8149 10.8171 k =-0.2553 0.2553 0.3611 ( 3324 PWs) bands (ev): -18.0637 -18.0636 -17.0877 -17.0869 -16.4889 -16.4881 -16.4026 -16.4006 -7.4706 -7.4691 -5.4995 -5.4965 -4.6158 -4.6115 -4.1841 -4.1815 -2.1341 -2.1281 -1.6922 -1.6908 -1.3609 -1.3596 -0.9591 -0.9469 -0.5308 -0.5197 -0.1032 -0.0963 0.0222 0.0321 0.5092 0.5111 8.6623 8.6637 10.1729 10.1830 10.6750 10.6915 10.8619 10.8642 k =-0.2473 0.2473 0.3498 ( 3318 PWs) bands (ev): -18.0870 -18.0869 -17.0605 -17.0597 -16.4879 -16.4871 -16.3980 -16.3960 -7.5236 -7.5221 -5.4619 -5.4589 -4.6315 -4.6272 -4.1903 -4.1879 -2.1216 -2.1155 -1.6883 -1.6866 -1.3419 -1.3403 -0.9679 -0.9553 -0.5635 -0.5523 -0.0748 -0.0671 0.0571 0.0677 0.5188 0.5207 8.5651 8.5663 10.1840 10.1942 10.6424 10.6596 10.9056 10.9079 k =-0.2394 0.2394 0.3385 ( 3336 PWs) bands (ev): -18.1101 -18.1100 -17.0331 -17.0323 -16.4869 -16.4862 -16.3935 -16.3915 -7.5763 -7.5750 -5.4251 -5.4222 -4.6470 -4.6426 -4.1975 -4.1952 -2.1082 -2.1019 -1.6821 -1.6803 -1.3236 -1.3218 -0.9764 -0.9634 -0.5950 -0.5835 -0.0493 -0.0412 0.0932 0.1041 0.5284 0.5302 8.4682 8.4693 10.1944 10.2047 10.6072 10.6249 10.9459 10.9480 k =-0.2314 0.2314 0.3272 ( 3344 PWs) bands (ev): -18.1329 -18.1329 -17.0056 -17.0047 -16.4860 -16.4852 -16.3891 -16.3871 -7.6288 -7.6275 -5.3891 -5.3863 -4.6621 -4.6577 -4.2055 -4.2035 -2.0942 -2.0877 -1.6735 -1.6715 -1.3062 -1.3040 -0.9845 -0.9711 -0.6250 -0.6134 -0.0263 -0.0180 0.1298 0.1408 0.5379 0.5396 8.3720 8.3729 10.2042 10.2145 10.5699 10.5879 10.9827 10.9848 k =-0.2234 0.2234 0.3159 ( 3344 PWs) bands (ev): -18.1555 -18.1554 -16.9779 -16.9771 -16.4850 -16.4842 -16.3847 -16.3828 -7.6808 -7.6797 -5.3541 -5.3513 -4.6770 -4.6724 -4.2145 -4.2126 -2.0798 -2.0732 -1.6623 -1.6602 -1.2899 -1.2874 -0.9921 -0.9782 -0.6534 -0.6417 -0.0055 0.0028 0.1666 0.1775 0.5474 0.5489 8.2764 8.2772 10.2132 10.2235 10.5310 10.5493 11.0162 11.0181 k =-0.2154 0.2154 0.3047 ( 3348 PWs) bands (ev): -18.1777 -18.1776 -16.9502 -16.9494 -16.4840 -16.4833 -16.3804 -16.3785 -7.7323 -7.7312 -5.3201 -5.3174 -4.6914 -4.6868 -4.2242 -4.2226 -2.0652 -2.0586 -1.6485 -1.6462 -1.2750 -1.2721 -0.9989 -0.9846 -0.6802 -0.6684 0.0134 0.0215 0.2030 0.2138 0.5567 0.5582 8.1817 8.1824 10.2208 10.2310 10.4919 10.5104 11.0466 11.0482 k =-0.2074 0.2074 0.2934 ( 3348 PWs) bands (ev): -18.1995 -18.1994 -16.9226 -16.9217 -16.4831 -16.4823 -16.3762 -16.3744 -7.7832 -7.7822 -5.2872 -5.2846 -4.7054 -4.7008 -4.2348 -4.2334 -2.0509 -2.0442 -1.6318 -1.6295 -1.2617 -1.2584 -1.0046 -0.9899 -0.7053 -0.6934 0.0304 0.0385 0.2389 0.2494 0.5659 0.5673 8.0881 8.0886 10.2258 10.2356 10.4548 10.4729 11.0740 11.0755 k =-0.1995 0.1995 0.2821 ( 3354 PWs) bands (ev): -18.2209 -18.2208 -16.8951 -16.8942 -16.4821 -16.4814 -16.3721 -16.3703 -7.8333 -7.8324 -5.2555 -5.2529 -4.7190 -4.7143 -4.2461 -4.2449 -2.0369 -2.0303 -1.6122 -1.6099 -1.2505 -1.2469 -1.0090 -0.9939 -0.7287 -0.7167 0.0459 0.0537 0.2739 0.2842 0.5750 0.5763 7.9955 7.9960 10.2259 10.2343 10.4232 10.4401 11.0988 11.1001 k =-0.1915 0.1915 0.2708 ( 3343 PWs) bands (ev): -18.2417 -18.2417 -16.8677 -16.8669 -16.4812 -16.4805 -16.3681 -16.3663 -7.8826 -7.8818 -5.2249 -5.2224 -4.7320 -4.7274 -4.2581 -4.2571 -2.0236 -2.0171 -1.5898 -1.5876 -1.2415 -1.2377 -1.0115 -0.9962 -0.7504 -0.7383 0.0599 0.0675 0.3078 0.3179 0.5840 0.5852 7.9043 7.9047 10.2174 10.2231 10.4021 10.4162 11.1212 11.1223 k =-0.1835 0.1835 0.2595 ( 3345 PWs) bands (ev): -18.2621 -18.2620 -16.8407 -16.8398 -16.4803 -16.4796 -16.3642 -16.3625 -7.9310 -7.9302 -5.1955 -5.1931 -4.7445 -4.7399 -4.2707 -4.2699 -2.0109 -2.0045 -1.5646 -1.5625 -1.2351 -1.2312 -1.0121 -0.9966 -0.7703 -0.7583 0.0725 0.0799 0.3407 0.3504 0.5927 0.5939 7.8146 7.8149 10.1976 10.1994 10.3945 10.4047 11.1415 11.1424 k =-0.1755 0.1755 0.2482 ( 3349 PWs) bands (ev): -18.2818 -18.2818 -16.8140 -16.8132 -16.4793 -16.4787 -16.3604 -16.3588 -7.9783 -7.9776 -5.1673 -5.1650 -4.7565 -4.7518 -4.2839 -4.2833 -1.9990 -1.9929 -1.5369 -1.5349 -1.2314 -1.2275 -1.0104 -0.9949 -0.7886 -0.7765 0.0837 0.0909 0.3723 0.3817 0.6013 0.6024 7.7264 7.7267 10.1653 10.1670 10.3991 10.4057 11.1598 11.1607 k =-0.1676 0.1676 0.2370 ( 3337 PWs) bands (ev): -18.3010 -18.3009 -16.7877 -16.7869 -16.4785 -16.4778 -16.3567 -16.3552 -8.0244 -8.0238 -5.1404 -5.1382 -4.7679 -4.7632 -4.2974 -4.2970 -1.9879 -1.9820 -1.5068 -1.5049 -1.2304 -1.2267 -1.0065 -0.9912 -0.8053 -0.7931 0.0937 0.1007 0.4026 0.4117 0.6097 0.6107 7.6402 7.6404 10.1250 10.1291 10.4123 10.4164 11.1764 11.1772 k =-0.1596 0.1596 0.2257 ( 3345 PWs) bands (ev): -18.3195 -18.3195 -16.7619 -16.7611 -16.4776 -16.4770 -16.3532 -16.3517 -8.0693 -8.0688 -5.1148 -5.1127 -4.7786 -4.7740 -4.3114 -4.3112 -1.9776 -1.9720 -1.4746 -1.4729 -1.2318 -1.2284 -1.0007 -0.9856 -0.8204 -0.8083 0.1024 0.1092 0.4315 0.4403 0.6179 0.6188 7.5559 7.5560 10.0816 10.0872 10.4313 10.4339 11.1915 11.1921 k =-0.1516 0.1516 0.2144 ( 3349 PWs) bands (ev): -18.3373 -18.3373 -16.7367 -16.7360 -16.4768 -16.4762 -16.3498 -16.3484 -8.1128 -8.1124 -5.0905 -5.0884 -4.7887 -4.7842 -4.3257 -4.3256 -1.9681 -1.9627 -1.4407 -1.4392 -1.2352 -1.2322 -0.9932 -0.9783 -0.8342 -0.8219 0.1100 0.1165 0.4589 0.4674 0.6258 0.6267 7.4738 7.4739 10.0372 10.0436 10.4546 10.4563 11.2050 11.2056 k =-0.1436 0.1436 0.2031 ( 3351 PWs) bands (ev): -18.3544 -18.3544 -16.7122 -16.7115 -16.4760 -16.4754 -16.3466 -16.3452 -8.1549 -8.1545 -5.0674 -5.0654 -4.7982 -4.7937 -4.3402 -4.3401 -1.9592 -1.9542 -1.4054 -1.4041 -1.2402 -1.2376 -0.9847 -0.9699 -0.8466 -0.8340 0.1164 0.1227 0.4849 0.4931 0.6335 0.6343 7.3941 7.3942 9.9928 9.9996 10.4815 10.4826 11.2172 11.2179 k =-0.1356 0.1356 0.1918 ( 3343 PWs) bands (ev): -18.3708 -18.3708 -16.6884 -16.6877 -16.4752 -16.4747 -16.3435 -16.3422 -8.1954 -8.1950 -5.0456 -5.0437 -4.8070 -4.8026 -4.3549 -4.3546 -1.9510 -1.9462 -1.3691 -1.3680 -1.2465 -1.2442 -0.9754 -0.9606 -0.8578 -0.8448 0.1217 0.1278 0.5094 0.5172 0.6408 0.6416 7.3170 7.3171 9.9493 9.9562 10.5116 10.5123 11.2283 11.2289 k =-0.1277 0.1277 0.1805 ( 3343 PWs) bands (ev): -18.3863 -18.3863 -16.6655 -16.6648 -16.4744 -16.4739 -16.3405 -16.3393 -8.2342 -8.2339 -5.0251 -5.0233 -4.8152 -4.8109 -4.3696 -4.3691 -1.9434 -1.9389 -1.3322 -1.3312 -1.2536 -1.2517 -0.9658 -0.9507 -0.8679 -0.8543 0.1261 0.1318 0.5324 0.5398 0.6479 0.6486 7.2428 7.2429 9.9070 9.9139 10.5445 10.5450 11.2382 11.2388 k =-0.1197 0.1197 0.1693 ( 3331 PWs) bands (ev): -18.4011 -18.4011 -16.6435 -16.6428 -16.4737 -16.4732 -16.3377 -16.3366 -8.2712 -8.2710 -5.0058 -5.0042 -4.8226 -4.8185 -4.3841 -4.3835 -1.9363 -1.9322 -1.2950 -1.2941 -1.2611 -1.2596 -0.9564 -0.9406 -0.8768 -0.8623 0.1295 0.1349 0.5539 0.5610 0.6547 0.6553 7.1716 7.1717 9.8663 9.8731 10.5800 10.5805 11.2471 11.2477 k =-0.1117 0.1117 0.1580 ( 3331 PWs) bands (ev): -18.4151 -18.4150 -16.6224 -16.6218 -16.4730 -16.4726 -16.3351 -16.3340 -8.3064 -8.3062 -4.9879 -4.9863 -4.8294 -4.8254 -4.3984 -4.3977 -1.9297 -1.9259 -1.2698 -1.2677 -1.2570 -1.2570 -0.9476 -0.9307 -0.8847 -0.8689 0.1319 0.1371 0.5739 0.5806 0.6611 0.6617 7.1037 7.1037 9.8276 9.8341 10.6181 10.6186 11.2551 11.2557 k =-0.1037 0.1037 0.1467 ( 3335 PWs) bands (ev): -18.4281 -18.4281 -16.6025 -16.6019 -16.4724 -16.4720 -16.3326 -16.3316 -8.3396 -8.3395 -4.9712 -4.9697 -4.8356 -4.8317 -4.4123 -4.4115 -1.9236 -1.9201 -1.2771 -1.2757 -1.2208 -1.2205 -0.9397 -0.9213 -0.8914 -0.8738 0.1336 0.1385 0.5923 0.5987 0.6672 0.6677 7.0392 7.0392 9.7909 9.7971 10.6586 10.6591 11.2622 11.2627 k =-0.0957 0.0957 0.1354 ( 3343 PWs) bands (ev): -18.4404 -18.4403 -16.5836 -16.5831 -16.4718 -16.4714 -16.3303 -16.3294 -8.3708 -8.3707 -4.9558 -4.9544 -4.8410 -4.8374 -4.4258 -4.4249 -1.9180 -1.9148 -1.2847 -1.2836 -1.1850 -1.1847 -0.9335 -0.9136 -0.8959 -0.8767 0.1345 0.1390 0.6093 0.6152 0.6730 0.6734 6.9785 6.9785 9.7566 9.7624 10.7014 10.7019 11.2685 11.2690 k =-0.0878 0.0878 0.1241 ( 3339 PWs) bands (ev): -18.4517 -18.4516 -16.5660 -16.5655 -16.4712 -16.4709 -16.3282 -16.3273 -8.3998 -8.3997 -4.9416 -4.9403 -4.8459 -4.8424 -4.4387 -4.4378 -1.9128 -1.9099 -1.2921 -1.2911 -1.1503 -1.1501 -0.9292 -0.9110 -0.8949 -0.8773 0.1347 0.1389 0.6249 0.6303 0.6783 0.6787 6.9216 6.9216 9.7247 9.7301 10.7463 10.7469 11.2741 11.2746 k =-0.0798 0.0798 0.1128 ( 3343 PWs) bands (ev): -18.4621 -18.4620 -16.5497 -16.5492 -16.4707 -16.4704 -16.3262 -16.3254 -8.4266 -8.4265 -4.9287 -4.9275 -4.8501 -4.8469 -4.4510 -4.4500 -1.9080 -1.9054 -1.2990 -1.2981 -1.1172 -1.1171 -0.9271 -0.9136 -0.8887 -0.8756 0.1344 0.1383 0.6389 0.6439 0.6833 0.6836 6.8689 6.8689 9.6953 9.7002 10.7932 10.7939 11.2791 11.2796 k =-0.0718 0.0718 0.1016 ( 3353 PWs) bands (ev): -18.4715 -18.4715 -16.5347 -16.5342 -16.4702 -16.4699 -16.3244 -16.3237 -8.4511 -8.4511 -4.9171 -4.9159 -4.8537 -4.8508 -4.4625 -4.4615 -1.9037 -1.9013 -1.3055 -1.3047 -1.0859 -1.0859 -0.9267 -0.9172 -0.8813 -0.8722 0.1335 0.1371 0.6515 0.6561 0.6879 0.6882 6.8205 6.8205 9.6685 9.6730 10.8419 10.8426 11.2834 11.2839 k =-0.0638 0.0638 0.0903 ( 3355 PWs) bands (ev): -18.4800 -18.4800 -16.5211 -16.5207 -16.4697 -16.4695 -16.3228 -16.3222 -8.4733 -8.4732 -4.9067 -4.9056 -4.8568 -4.8541 -4.4731 -4.4721 -1.8997 -1.8977 -1.3114 -1.3107 -1.0570 -1.0570 -0.9274 -0.9208 -0.8742 -0.8679 0.1324 0.1356 0.6626 0.6667 0.6921 0.6923 6.7766 6.7766 9.6444 9.6484 10.8922 10.8930 11.2872 11.2876 k =-0.0559 0.0559 0.0790 ( 3353 PWs) bands (ev): -18.4875 -18.4875 -16.5090 -16.5086 -16.4693 -16.4691 -16.3214 -16.3208 -8.4929 -8.4929 -4.8976 -4.8966 -4.8592 -4.8570 -4.4827 -4.4818 -1.8962 -1.8944 -1.3166 -1.3161 -1.0307 -1.0306 -0.9285 -0.9239 -0.8676 -0.8632 0.1310 0.1338 0.6723 0.6759 0.6960 0.6962 6.7374 6.7374 9.6231 9.6266 10.9440 10.9448 11.2905 11.2909 k =-0.0479 0.0479 0.0677 ( 3351 PWs) bands (ev): -18.4941 -18.4941 -16.4984 -16.4981 -16.4689 -16.4687 -16.3201 -16.3196 -8.5101 -8.5101 -4.8898 -4.8888 -4.8612 -4.8593 -4.4912 -4.4904 -1.8932 -1.8916 -1.3212 -1.3208 -1.0074 -1.0072 -0.9296 -0.9264 -0.8617 -0.8586 0.1295 0.1319 0.6806 0.6837 0.6994 0.6997 6.7030 6.7031 9.6045 9.6076 10.9970 10.9979 11.2933 11.2936 k =-0.0399 0.0399 0.0564 ( 3351 PWs) bands (ev): -18.4996 -18.4996 -16.4894 -16.4891 -16.4686 -16.4684 -16.3190 -16.3186 -8.5248 -8.5248 -4.8834 -4.8824 -4.8625 -4.8611 -4.4986 -4.4979 -1.8905 -1.8893 -1.3252 -1.3248 -0.9874 -0.9871 -0.9304 -0.9282 -0.8566 -0.8544 0.1280 0.1300 0.6874 0.6899 0.7026 0.7029 6.6737 6.6737 9.5888 9.5914 11.0510 11.0518 11.2956 11.2959 k =-0.0319 0.0319 0.0451 ( 3339 PWs) bands (ev): -18.5042 -18.5042 -16.4820 -16.4818 -16.4682 -16.4681 -16.3182 -16.3178 -8.5368 -8.5368 -4.8783 -4.8773 -4.8633 -4.8623 -4.5048 -4.5041 -1.8883 -1.8873 -1.3284 -1.3281 -0.9713 -0.9709 -0.9306 -0.9292 -0.8524 -0.8508 0.1266 0.1283 0.6928 0.6947 0.7054 0.7058 6.6495 6.6496 9.5760 9.5780 11.1056 11.1064 11.2976 11.2978 k =-0.0239 0.0239 0.0339 ( 3343 PWs) bands (ev): -18.5078 -18.5077 -16.4764 -16.4763 -16.4677 -16.4676 -16.3175 -16.3172 -8.5462 -8.5462 -4.8748 -4.8738 -4.8635 -4.8630 -4.5096 -4.5091 -1.8866 -1.8858 -1.3310 -1.3307 -0.9595 -0.9590 -0.9298 -0.9291 -0.8490 -0.8479 0.1255 0.1267 0.6967 0.6980 0.7079 0.7083 6.6306 6.6306 9.5660 9.5676 11.1605 11.1612 11.2992 11.2993 k =-0.0160 0.0160 0.0226 ( 3343 PWs) bands (ev): -18.5103 -18.5103 -16.4727 -16.4727 -16.4670 -16.4670 -16.3169 -16.3168 -8.5530 -8.5530 -4.8726 -4.8718 -4.8631 -4.8629 -4.5130 -4.5127 -1.8853 -1.8848 -1.3328 -1.3326 -0.9522 -0.9517 -0.9279 -0.9276 -0.8465 -0.8459 0.1246 0.1255 0.6994 0.7002 0.7099 0.7102 6.6170 6.6170 9.5590 9.5600 11.2147 11.2154 11.3006 11.3007 k =-0.0080 0.0080 0.0113 ( 3355 PWs) bands (ev): -18.5118 -18.5118 -16.4709 -16.4709 -16.4662 -16.4662 -16.3166 -16.3165 -8.5570 -8.5570 -4.8715 -4.8710 -4.8626 -4.8625 -4.5151 -4.5149 -1.8845 -1.8843 -1.3338 -1.3338 -0.9487 -0.9484 -0.9258 -0.9257 -0.8450 -0.8447 0.1242 0.1246 0.7010 0.7014 0.7112 0.7114 6.6089 6.6089 9.5548 9.5553 11.2650 11.2654 11.3031 11.3033 k = 0.0000 0.0000 0.0000 ( 3383 PWs) bands (ev): -18.5124 -18.5124 -16.4705 -16.4705 -16.4658 -16.4658 -16.3165 -16.3165 -8.5584 -8.5584 -4.8710 -4.8710 -4.8624 -4.8624 -4.5158 -4.5158 -1.8842 -1.8842 -1.3342 -1.3342 -0.9476 -0.9476 -0.9249 -0.9249 -0.8444 -0.8444 0.1242 0.1242 0.7016 0.7016 0.7117 0.7117 6.6061 6.6061 9.5536 9.5536 11.2886 11.2886 11.3126 11.3126 k = 0.0000 0.0000 0.0000 ( 3383 PWs) bands (ev): -18.5124 -18.5124 -16.4705 -16.4705 -16.4658 -16.4658 -16.3165 -16.3165 -8.5584 -8.5584 -4.8710 -4.8710 -4.8624 -4.8624 -4.5158 -4.5158 -1.8842 -1.8842 -1.3342 -1.3342 -0.9476 -0.9476 -0.9249 -0.9249 -0.8444 -0.8444 0.1242 0.1242 0.7016 0.7016 0.7117 0.7117 6.6061 6.6061 9.5536 9.5536 11.2886 11.2886 11.3126 11.3126 k = 0.0111 0.0111 0.0000 ( 3355 PWs) bands (ev): -18.5118 -18.5118 -16.4705 -16.4705 -16.4658 -16.4658 -16.3174 -16.3174 -8.5569 -8.5569 -4.8704 -4.8704 -4.8617 -4.8617 -4.5167 -4.5167 -1.8835 -1.8835 -1.3347 -1.3347 -0.9479 -0.9479 -0.9252 -0.9252 -0.8459 -0.8459 0.1240 0.1240 0.7010 0.7010 0.7111 0.7111 6.6087 6.6087 9.5544 9.5544 11.2883 11.2883 11.3122 11.3122 k = 0.0222 0.0222 0.0000 ( 3343 PWs) bands (ev): -18.5103 -18.5103 -16.4706 -16.4706 -16.4660 -16.4660 -16.3202 -16.3202 -8.5525 -8.5525 -4.8686 -4.8686 -4.8599 -4.8599 -4.5195 -4.5195 -1.8814 -1.8814 -1.3362 -1.3362 -0.9488 -0.9488 -0.9260 -0.9260 -0.8504 -0.8504 0.1234 0.1234 0.6991 0.6991 0.7092 0.7092 6.6165 6.6165 9.5568 9.5568 11.2871 11.2871 11.3110 11.3110 k = 0.0333 0.0333 0.0000 ( 3335 PWs) bands (ev): -18.5077 -18.5077 -16.4709 -16.4709 -16.4662 -16.4662 -16.3249 -16.3249 -8.5452 -8.5452 -4.8656 -4.8656 -4.8570 -4.8570 -4.5243 -4.5243 -1.8779 -1.8779 -1.3388 -1.3388 -0.9504 -0.9504 -0.9274 -0.9274 -0.8580 -0.8580 0.1224 0.1224 0.6959 0.6959 0.7060 0.7060 6.6295 6.6295 9.5608 9.5608 11.2852 11.2852 11.3089 11.3089 k = 0.0444 0.0444 0.0000 ( 3335 PWs) bands (ev): -18.5041 -18.5041 -16.4712 -16.4712 -16.4665 -16.4665 -16.3313 -16.3313 -8.5349 -8.5349 -4.8614 -4.8614 -4.8528 -4.8528 -4.5309 -4.5309 -1.8730 -1.8730 -1.3424 -1.3424 -0.9526 -0.9526 -0.9294 -0.9294 -0.8683 -0.8683 0.1210 0.1210 0.6914 0.6914 0.7017 0.7017 6.6475 6.6475 9.5663 9.5663 11.2825 11.2825 11.3060 11.3060 k = 0.0556 0.0556 0.0000 ( 3347 PWs) bands (ev): -18.4994 -18.4994 -16.4716 -16.4716 -16.4670 -16.4670 -16.3397 -16.3397 -8.5217 -8.5217 -4.8560 -4.8560 -4.8475 -4.8475 -4.5395 -4.5395 -1.8667 -1.8667 -1.3471 -1.3471 -0.9555 -0.9555 -0.9320 -0.9320 -0.8815 -0.8815 0.1191 0.1191 0.6858 0.6858 0.6961 0.6961 6.6706 6.6706 9.5733 9.5733 11.2792 11.2792 11.3024 11.3024 k = 0.0667 0.0667 0.0000 ( 3351 PWs) bands (ev): -18.4937 -18.4937 -16.4721 -16.4721 -16.4675 -16.4675 -16.3498 -16.3498 -8.5057 -8.5057 -4.8495 -4.8495 -4.8410 -4.8410 -4.5499 -4.5499 -1.8591 -1.8591 -1.3527 -1.3527 -0.9593 -0.9593 -0.9352 -0.9352 -0.8971 -0.8971 0.1167 0.1167 0.6790 0.6790 0.6894 0.6894 6.6986 6.6986 9.5819 9.5819 11.2752 11.2752 11.2982 11.2982 k = 0.0778 0.0778 0.0000 ( 3347 PWs) bands (ev): -18.4870 -18.4870 -16.4726 -16.4726 -16.4681 -16.4681 -16.3616 -16.3616 -8.4869 -8.4869 -4.8418 -4.8418 -4.8333 -4.8333 -4.5623 -4.5623 -1.8501 -1.8501 -1.3592 -1.3592 -0.9641 -0.9641 -0.9390 -0.9390 -0.9147 -0.9147 0.1137 0.1137 0.6711 0.6711 0.6816 0.6816 6.7315 6.7315 9.5919 9.5919 11.2707 11.2707 11.2933 11.2933 k = 0.0889 0.0889 0.0000 ( 3339 PWs) bands (ev): -18.4793 -18.4793 -16.4733 -16.4733 -16.4688 -16.4688 -16.3752 -16.3752 -8.4653 -8.4653 -4.8330 -4.8330 -4.8246 -4.8246 -4.5765 -4.5765 -1.8397 -1.8397 -1.3667 -1.3667 -0.9706 -0.9706 -0.9434 -0.9434 -0.9336 -0.9336 0.1100 0.1100 0.6621 0.6621 0.6727 0.6727 6.7691 6.7691 9.6032 9.6032 11.2656 11.2656 11.2879 11.2879 k = 0.1000 0.1000 0.0000 ( 3339 PWs) bands (ev): -18.4706 -18.4706 -16.4740 -16.4740 -16.4695 -16.4695 -16.3905 -16.3905 -8.4409 -8.4409 -4.8230 -4.8230 -4.8148 -4.8148 -4.5927 -4.5927 -1.8280 -1.8280 -1.3751 -1.3751 -0.9808 -0.9808 -0.9518 -0.9518 -0.9485 -0.9485 0.1056 0.1056 0.6521 0.6521 0.6629 0.6629 6.8113 6.8113 9.6159 9.6159 11.2602 11.2602 11.2821 11.2821 k = 0.1111 0.1111 0.0000 ( 3355 PWs) bands (ev): -18.4609 -18.4609 -16.4748 -16.4748 -16.4704 -16.4704 -16.4074 -16.4074 -8.4138 -8.4138 -4.8121 -4.8121 -4.8039 -4.8039 -4.6108 -4.6108 -1.8150 -1.8150 -1.3843 -1.3843 -0.9978 -0.9978 -0.9657 -0.9657 -0.9542 -0.9542 0.1005 0.1005 0.6412 0.6412 0.6521 0.6521 6.8580 6.8580 9.6299 9.6299 11.2544 11.2544 11.2759 11.2759 k = 0.1222 0.1222 0.0000 ( 3347 PWs) bands (ev): -18.4501 -18.4501 -16.4757 -16.4757 -16.4713 -16.4713 -16.4259 -16.4259 -8.3841 -8.3841 -4.8000 -4.8000 -4.7919 -4.7919 -4.6308 -4.6308 -1.8006 -1.8006 -1.3944 -1.3944 -1.0212 -1.0212 -0.9756 -0.9756 -0.9605 -0.9605 0.0945 0.0945 0.6296 0.6296 0.6405 0.6405 6.9090 6.9090 9.6450 9.6450 11.2483 11.2483 11.2694 11.2694 k = 0.1333 0.1333 0.0000 ( 3339 PWs) bands (ev): -18.4384 -18.4384 -16.4767 -16.4767 -16.4723 -16.4723 -16.4458 -16.4458 -8.3518 -8.3518 -4.7870 -4.7870 -4.7790 -4.7790 -4.6527 -4.6527 -1.7849 -1.7849 -1.4052 -1.4052 -1.0482 -1.0482 -0.9842 -0.9842 -0.9676 -0.9676 0.0875 0.0875 0.6171 0.6171 0.6282 0.6282 6.9642 6.9642 9.6613 9.6613 11.2421 11.2421 11.2626 11.2626 k = 0.1444 0.1444 0.0000 ( 3331 PWs) bands (ev): -18.4256 -18.4256 -16.4782 -16.4782 -16.4733 -16.4733 -16.4669 -16.4669 -8.3171 -8.3171 -4.7731 -4.7731 -4.7652 -4.7652 -4.6766 -4.6766 -1.7680 -1.7680 -1.4167 -1.4167 -1.0773 -1.0773 -0.9927 -0.9927 -0.9754 -0.9754 0.0797 0.0797 0.6040 0.6040 0.6152 0.6152 7.0233 7.0233 9.6786 9.6786 11.2357 11.2357 11.2558 11.2558 k = 0.1556 0.1556 0.0000 ( 3331 PWs) bands (ev): -18.4119 -18.4119 -16.4912 -16.4912 -16.4779 -16.4779 -16.4744 -16.4744 -8.2798 -8.2798 -4.7583 -4.7583 -4.7504 -4.7504 -4.7023 -4.7023 -1.7498 -1.7498 -1.4289 -1.4289 -1.1079 -1.1079 -1.0016 -1.0016 -0.9838 -0.9838 0.0708 0.0708 0.5904 0.5904 0.6016 0.6016 7.0861 7.0861 9.6967 9.6967 11.2293 11.2293 11.2488 11.2488 k = 0.1667 0.1667 0.0000 ( 3339 PWs) bands (ev): -18.3972 -18.3972 -16.5152 -16.5152 -16.4794 -16.4794 -16.4756 -16.4756 -8.2402 -8.2402 -4.7436 -4.7436 -4.7349 -4.7349 -4.7289 -4.7289 -1.7303 -1.7303 -1.4418 -1.4418 -1.1396 -1.1396 -1.0109 -1.0109 -0.9930 -0.9930 0.0608 0.0608 0.5762 0.5762 0.5876 0.5876 7.1526 7.1526 9.7156 9.7156 11.2228 11.2228 11.2419 11.2419 k = 0.1778 0.1778 0.0000 ( 3335 PWs) bands (ev): -18.3815 -18.3815 -16.5408 -16.5408 -16.4806 -16.4806 -16.4768 -16.4768 -8.1983 -8.1983 -4.7607 -4.7607 -4.7252 -4.7252 -4.7183 -4.7183 -1.7096 -1.7096 -1.4552 -1.4552 -1.1722 -1.1722 -1.0209 -1.0209 -1.0030 -1.0030 0.0498 0.0498 0.5618 0.5618 0.5731 0.5731 7.2225 7.2225 9.7352 9.7352 11.2164 11.2164 11.2349 11.2349 k = 0.1889 0.1889 0.0000 ( 3335 PWs) bands (ev): -18.3649 -18.3649 -16.5676 -16.5676 -16.4818 -16.4818 -16.4780 -16.4780 -8.1542 -8.1542 -4.7921 -4.7921 -4.7081 -4.7081 -4.7012 -4.7012 -1.6878 -1.6878 -1.4691 -1.4691 -1.2053 -1.2053 -1.0314 -1.0314 -1.0136 -1.0136 0.0376 0.0376 0.5470 0.5470 0.5584 0.5584 7.2956 7.2956 9.7552 9.7552 11.2101 11.2101 11.2281 11.2281 k = 0.2000 0.2000 0.0000 ( 3335 PWs) bands (ev): -18.3473 -18.3473 -16.5957 -16.5957 -16.4830 -16.4830 -16.4793 -16.4793 -8.1079 -8.1079 -4.8257 -4.8257 -4.6902 -4.6902 -4.6833 -4.6833 -1.6647 -1.6647 -1.4834 -1.4834 -1.2387 -1.2387 -1.0427 -1.0427 -1.0250 -1.0250 0.0243 0.0243 0.5321 0.5321 0.5435 0.5435 7.3717 7.3717 9.7756 9.7756 11.2039 11.2039 11.2213 11.2213 k = 0.2111 0.2111 0.0000 ( 3343 PWs) bands (ev): -18.3288 -18.3288 -16.6249 -16.6249 -16.4842 -16.4842 -16.4806 -16.4806 -8.0595 -8.0595 -4.8612 -4.8612 -4.6715 -4.6715 -4.6648 -4.6648 -1.6406 -1.6406 -1.4981 -1.4981 -1.2723 -1.2723 -1.0545 -1.0545 -1.0371 -1.0371 0.0097 0.0097 0.5172 0.5172 0.5285 0.5285 7.4506 7.4506 9.7962 9.7962 11.1979 11.1979 11.2148 11.2148 k = 0.2222 0.2222 0.0000 ( 3343 PWs) bands (ev): -18.3093 -18.3093 -16.6551 -16.6551 -16.4854 -16.4854 -16.4820 -16.4820 -8.0092 -8.0092 -4.8987 -4.8987 -4.6524 -4.6524 -4.6458 -4.6458 -1.6153 -1.6153 -1.5131 -1.5131 -1.3058 -1.3058 -1.0671 -1.0671 -1.0499 -1.0499 -0.0060 -0.0060 0.5023 0.5023 0.5135 0.5135 7.5321 7.5321 9.8168 9.8168 11.1921 11.1921 11.2084 11.2084 k = 0.2333 0.2333 0.0000 ( 3343 PWs) bands (ev): -18.2890 -18.2890 -16.6863 -16.6863 -16.4867 -16.4867 -16.4833 -16.4833 -7.9569 -7.9569 -4.9381 -4.9381 -4.6327 -4.6327 -4.6263 -4.6263 -1.5890 -1.5890 -1.5283 -1.5283 -1.3390 -1.3390 -1.0802 -1.0802 -1.0633 -1.0633 -0.0230 -0.0230 0.4875 0.4875 0.4986 0.4986 7.6159 7.6159 9.8372 9.8372 11.1865 11.1865 11.2022 11.2022 k = 0.2444 0.2444 0.0000 ( 3343 PWs) bands (ev): -18.2677 -18.2677 -16.7185 -16.7185 -16.4880 -16.4880 -16.4847 -16.4847 -7.9029 -7.9029 -4.9795 -4.9795 -4.6126 -4.6126 -4.6064 -4.6064 -1.5621 -1.5621 -1.5433 -1.5433 -1.3718 -1.3718 -1.0940 -1.0940 -1.0774 -1.0774 -0.0412 -0.0412 0.4729 0.4729 0.4839 0.4839 7.7019 7.7019 9.8573 9.8573 11.1811 11.1811 11.1963 11.1963 k = 0.2556 0.2556 0.0000 ( 3343 PWs) bands (ev): -18.2456 -18.2456 -16.7515 -16.7515 -16.4892 -16.4892 -16.4861 -16.4861 -7.8471 -7.8471 -5.0227 -5.0227 -4.5921 -4.5921 -4.5862 -4.5862 -1.5600 -1.5600 -1.5326 -1.5326 -1.4041 -1.4041 -1.1082 -1.1082 -1.0921 -1.0921 -0.0606 -0.0606 0.4586 0.4586 0.4694 0.4694 7.7898 7.7898 9.8767 9.8767 11.1760 11.1760 11.1906 11.1906 k = 0.2667 0.2667 0.0000 ( 3343 PWs) bands (ev): -18.2225 -18.2225 -16.7852 -16.7852 -16.4905 -16.4905 -16.4874 -16.4874 -7.7896 -7.7896 -5.0679 -5.0679 -4.5715 -4.5715 -4.5658 -4.5658 -1.5753 -1.5753 -1.5035 -1.5035 -1.4356 -1.4356 -1.1230 -1.1230 -1.1073 -1.1073 -0.0812 -0.0812 0.4446 0.4446 0.4553 0.4553 7.8794 7.8794 9.8954 9.8954 11.1711 11.1711 11.1851 11.1851 k = 0.2778 0.2778 0.0000 ( 3343 PWs) bands (ev): -18.1986 -18.1986 -16.8197 -16.8197 -16.4917 -16.4917 -16.4888 -16.4888 -7.7306 -7.7306 -5.1148 -5.1148 -4.5507 -4.5507 -4.5452 -4.5452 -1.5908 -1.5908 -1.4736 -1.4736 -1.4658 -1.4658 -1.1382 -1.1382 -1.1230 -1.1230 -0.1031 -0.1031 0.4311 0.4311 0.4415 0.4415 7.9705 7.9705 9.9130 9.9130 11.1665 11.1665 11.1799 11.1799 k = 0.2889 0.2889 0.0000 ( 3343 PWs) bands (ev): -18.1739 -18.1739 -16.8548 -16.8548 -16.4929 -16.4929 -16.4901 -16.4901 -7.6702 -7.6702 -5.1636 -5.1636 -4.5299 -4.5299 -4.5246 -4.5246 -1.6062 -1.6062 -1.4960 -1.4960 -1.4419 -1.4419 -1.1537 -1.1537 -1.1391 -1.1391 -0.1261 -0.1261 0.4181 0.4181 0.4282 0.4282 8.0627 8.0627 9.9294 9.9294 11.1622 11.1622 11.1749 11.1749 k = 0.3000 0.3000 0.0000 ( 3327 PWs) bands (ev): -18.1483 -18.1483 -16.8906 -16.8906 -16.4941 -16.4941 -16.4914 -16.4914 -7.6083 -7.6083 -5.2142 -5.2142 -4.5091 -4.5091 -4.5041 -4.5041 -1.6215 -1.6215 -1.5245 -1.5245 -1.4099 -1.4099 -1.1695 -1.1695 -1.1555 -1.1555 -0.1503 -0.1503 0.4057 0.4057 0.4155 0.4155 8.1559 8.1559 9.9442 9.9442 11.1581 11.1581 11.1702 11.1702 k = 0.3111 0.3111 0.0000 ( 3339 PWs) bands (ev): -18.1220 -18.1220 -16.9268 -16.9268 -16.4953 -16.4953 -16.4927 -16.4927 -7.5451 -7.5451 -5.2665 -5.2665 -4.4885 -4.4885 -4.4837 -4.4837 -1.6365 -1.6365 -1.5518 -1.5518 -1.3771 -1.3771 -1.1855 -1.1855 -1.1720 -1.1720 -0.1757 -0.1757 0.3938 0.3938 0.4032 0.4032 8.2498 8.2498 9.9572 9.9572 11.1542 11.1542 11.1657 11.1657 k = 0.3222 0.3222 0.0000 ( 3347 PWs) bands (ev): -18.0948 -18.0948 -16.9635 -16.9635 -16.4964 -16.4964 -16.4940 -16.4940 -7.4807 -7.4807 -5.3205 -5.3205 -4.4682 -4.4682 -4.4637 -4.4637 -1.6512 -1.6512 -1.5779 -1.5779 -1.3434 -1.3434 -1.2015 -1.2015 -1.1887 -1.1887 -0.2023 -0.2023 0.3826 0.3826 0.3916 0.3916 8.3441 8.3441 9.9681 9.9681 11.1507 11.1507 11.1615 11.1615 k = 0.3333 0.3333 0.0000 ( 3347 PWs) bands (ev): -18.0669 -18.0669 -17.0007 -17.0007 -16.4975 -16.4975 -16.4952 -16.4952 -7.4152 -7.4152 -5.3762 -5.3762 -4.4483 -4.4483 -4.4440 -4.4440 -1.6655 -1.6655 -1.6025 -1.6025 -1.3091 -1.3091 -1.2175 -1.2175 -1.2053 -1.2053 -0.2299 -0.2299 0.3720 0.3720 0.3806 0.3806 8.4385 8.4385 9.9767 9.9767 11.1473 11.1473 11.1576 11.1576 k = 0.3444 0.3444 0.0000 ( 3347 PWs) bands (ev): -18.0382 -18.0382 -17.0381 -17.0381 -16.4985 -16.4985 -16.4964 -16.4964 -7.3487 -7.3487 -5.4334 -5.4334 -4.4289 -4.4289 -4.4249 -4.4249 -1.6793 -1.6793 -1.6257 -1.6257 -1.2741 -1.2741 -1.2333 -1.2333 -1.2218 -1.2218 -0.2586 -0.2586 0.3621 0.3621 0.3703 0.3703 8.5328 8.5328 9.9827 9.9827 11.1442 11.1442 11.1538 11.1538 k = 0.3556 0.3556 0.0000 ( 3338 PWs) bands (ev): -18.0087 -18.0087 -17.0759 -17.0759 -16.4995 -16.4995 -16.4975 -16.4975 -7.2812 -7.2812 -5.4921 -5.4921 -4.4101 -4.4101 -4.4064 -4.4064 -1.6926 -1.6926 -1.6474 -1.6474 -1.2488 -1.2488 -1.2393 -1.2393 -1.2372 -1.2372 -0.2883 -0.2883 0.3529 0.3529 0.3606 0.3606 8.6266 8.6266 9.9857 9.9857 11.1414 11.1414 11.1504 11.1504 k = 0.3667 0.3667 0.0000 ( 3346 PWs) bands (ev): -17.9786 -17.9786 -17.1139 -17.1139 -16.5005 -16.5005 -16.4986 -16.4986 -7.2129 -7.2129 -5.5523 -5.5523 -4.3921 -4.3921 -4.3886 -4.3886 -1.7052 -1.7052 -1.6676 -1.6676 -1.2638 -1.2638 -1.2539 -1.2539 -1.2022 -1.2022 -0.3190 -0.3190 0.3444 0.3444 0.3516 0.3516 8.7196 8.7196 9.9856 9.9856 11.1388 11.1388 11.1471 11.1471 k = 0.3778 0.3778 0.0000 ( 3346 PWs) bands (ev): -17.9478 -17.9478 -17.1521 -17.1521 -16.5013 -16.5013 -16.4996 -16.4996 -7.1437 -7.1437 -5.6139 -5.6139 -4.3749 -4.3749 -4.3717 -4.3717 -1.7172 -1.7172 -1.6862 -1.6862 -1.2783 -1.2783 -1.2691 -1.2691 -1.1655 -1.1655 -0.3506 -0.3506 0.3366 0.3366 0.3433 0.3433 8.8116 8.8116 9.9821 9.9821 11.1365 11.1365 11.1441 11.1441 k = 0.3889 0.3889 0.0000 ( 3346 PWs) bands (ev): -17.9163 -17.9163 -17.1904 -17.1904 -16.5021 -16.5021 -16.5006 -16.5006 -7.0740 -7.0740 -5.6767 -5.6767 -4.3587 -4.3587 -4.3558 -4.3558 -1.7284 -1.7284 -1.7032 -1.7032 -1.2920 -1.2920 -1.2836 -1.2836 -1.1284 -1.1284 -0.3831 -0.3831 0.3295 0.3295 0.3357 0.3357 8.9021 8.9021 9.9748 9.9748 11.1344 11.1344 11.1413 11.1413 k = 0.4000 0.4000 0.0000 ( 3326 PWs) bands (ev): -17.8841 -17.8841 -17.2288 -17.2288 -16.5028 -16.5028 -16.5014 -16.5014 -7.0036 -7.0036 -5.7408 -5.7408 -4.3437 -4.3437 -4.3411 -4.3411 -1.7388 -1.7388 -1.7185 -1.7185 -1.3049 -1.3049 -1.2973 -1.2973 -1.0908 -1.0908 -0.4165 -0.4165 0.3232 0.3232 0.3288 0.3288 8.9909 8.9909 9.9636 9.9636 11.1325 11.1325 11.1388 11.1388 k = 0.4111 0.4111 0.0000 ( 3326 PWs) bands (ev): -17.8513 -17.8513 -17.2672 -17.2672 -16.5035 -16.5035 -16.5022 -16.5022 -6.9327 -6.9327 -5.8061 -5.8061 -4.3298 -4.3298 -4.3275 -4.3275 -1.7483 -1.7483 -1.7322 -1.7322 -1.3169 -1.3169 -1.3101 -1.3101 -1.0529 -1.0529 -0.4506 -0.4506 0.3176 0.3176 0.3226 0.3226 9.0776 9.0776 9.9481 9.9481 11.1309 11.1309 11.1365 11.1365 k = 0.4222 0.4222 0.0000 ( 3326 PWs) bands (ev): -17.8180 -17.8180 -17.3056 -17.3056 -16.5041 -16.5041 -16.5030 -16.5030 -6.8614 -6.8614 -5.8724 -5.8724 -4.3173 -4.3173 -4.3153 -4.3153 -1.7568 -1.7568 -1.7443 -1.7443 -1.3277 -1.3277 -1.3217 -1.3217 -1.0147 -1.0147 -0.4855 -0.4855 0.3127 0.3127 0.3171 0.3171 9.1618 9.1618 9.9283 9.9283 11.1295 11.1295 11.1344 11.1344 k = 0.4333 0.4333 0.0000 ( 3326 PWs) bands (ev): -17.7840 -17.7840 -17.3439 -17.3439 -16.5046 -16.5046 -16.5036 -16.5036 -6.7898 -6.7898 -5.9396 -5.9396 -4.3062 -4.3062 -4.3045 -4.3045 -1.7644 -1.7644 -1.7548 -1.7548 -1.3373 -1.3373 -1.3321 -1.3321 -0.9763 -0.9763 -0.5210 -0.5210 0.3086 0.3086 0.3124 0.3124 9.2432 9.2432 9.9038 9.9038 11.1283 11.1283 11.1325 11.1325 k = 0.4444 0.4444 0.0000 ( 3318 PWs) bands (ev): -17.7496 -17.7496 -17.3821 -17.3821 -16.5050 -16.5050 -16.5042 -16.5042 -6.7180 -6.7180 -6.0078 -6.0078 -4.2967 -4.2967 -4.2952 -4.2952 -1.7708 -1.7708 -1.7637 -1.7637 -1.3455 -1.3455 -1.3412 -1.3412 -0.9377 -0.9377 -0.5571 -0.5571 0.3051 0.3051 0.3083 0.3083 9.3215 9.3215 9.8747 9.8747 11.1274 11.1274 11.1310 11.1310 k = 0.4556 0.4556 0.0000 ( 3318 PWs) bands (ev): -17.7146 -17.7146 -17.4202 -17.4202 -16.5053 -16.5053 -16.5047 -16.5047 -6.6460 -6.6460 -6.0768 -6.0768 -4.2887 -4.2887 -4.2875 -4.2875 -1.7761 -1.7761 -1.7710 -1.7710 -1.3523 -1.3523 -1.3488 -1.3488 -0.8991 -0.8991 -0.5938 -0.5938 0.3023 0.3023 0.3049 0.3049 9.3964 9.3964 9.8406 9.8406 11.1267 11.1267 11.1296 11.1296 k = 0.4667 0.4667 0.0000 ( 3314 PWs) bands (ev): -17.6791 -17.6791 -17.4581 -17.4581 -16.5055 -16.5055 -16.5050 -16.5050 -6.5740 -6.5740 -6.1464 -6.1464 -4.2824 -4.2824 -4.2815 -4.2815 -1.7802 -1.7802 -1.7767 -1.7767 -1.3576 -1.3576 -1.3550 -1.3550 -0.8604 -0.8604 -0.6310 -0.6310 0.3003 0.3003 0.3022 0.3022 9.4675 9.4675 9.8017 9.8017 11.1263 11.1263 11.1284 11.1284 k = 0.4778 0.4778 0.0000 ( 3314 PWs) bands (ev): -17.6432 -17.6432 -17.4957 -17.4957 -16.5057 -16.5057 -16.5053 -16.5053 -6.5021 -6.5021 -6.2167 -6.2167 -4.2778 -4.2778 -4.2772 -4.2772 -1.7831 -1.7831 -1.7809 -1.7809 -1.3613 -1.3613 -1.3595 -1.3595 -0.8217 -0.8217 -0.6685 -0.6685 0.2989 0.2989 0.3002 0.3002 9.5345 9.5345 9.7579 9.7579 11.1261 11.1261 11.1275 11.1275 k = 0.4889 0.4889 0.0000 ( 3306 PWs) bands (ev): -17.6069 -17.6069 -17.5331 -17.5331 -16.5057 -16.5057 -16.5056 -16.5056 -6.4303 -6.4303 -6.2875 -6.2875 -4.2750 -4.2750 -4.2747 -4.2747 -1.7846 -1.7846 -1.7835 -1.7835 -1.3633 -1.3633 -1.3625 -1.3625 -0.7831 -0.7831 -0.7064 -0.7064 0.2982 0.2982 0.2988 0.2988 9.5973 9.5973 9.7091 9.7091 11.1261 11.1261 11.1268 11.1268 k = 0.5000 0.5000 0.0000 ( 3306 PWs) bands (ev): -17.5702 -17.5702 -17.5702 -17.5702 -16.5057 -16.5057 -16.5057 -16.5057 -6.3587 -6.3587 -6.3587 -6.3587 -4.2739 -4.2739 -4.2739 -4.2739 -1.7848 -1.7848 -1.7848 -1.7848 -1.3637 -1.3637 -1.3637 -1.3637 -0.7447 -0.7447 -0.7447 -0.7447 0.2982 0.2982 0.2982 0.2982 9.6556 9.6556 9.6556 9.6556 11.1263 11.1263 11.1263 11.1263 k = 0.5000 0.5000 0.0000 ( 3306 PWs) bands (ev): -17.5702 -17.5702 -17.5702 -17.5702 -16.5057 -16.5057 -16.5057 -16.5057 -6.3587 -6.3587 -6.3587 -6.3587 -4.2739 -4.2739 -4.2739 -4.2739 -1.7848 -1.7848 -1.7848 -1.7848 -1.3637 -1.3637 -1.3637 -1.3637 -0.7447 -0.7447 -0.7447 -0.7447 0.2982 0.2982 0.2982 0.2982 9.6556 9.6556 9.6556 9.6556 11.1263 11.1263 11.1263 11.1263 k = 0.4922 0.5078 0.0110 ( 3306 PWs) bands (ev): -17.5709 -17.5708 -17.5696 -17.5696 -16.5057 -16.5057 -16.5055 -16.5054 -6.3605 -6.3602 -6.3576 -6.3574 -4.2745 -4.2743 -4.2736 -4.2733 -1.7890 -1.7883 -1.7841 -1.7840 -1.3653 -1.3652 -1.3593 -1.3585 -0.7453 -0.7447 -0.7428 -0.7427 0.2967 0.2971 0.2984 0.2987 9.6563 9.6565 9.6572 9.6572 11.1204 11.1209 11.1256 11.1257 k = 0.4844 0.5156 0.0221 ( 3314 PWs) bands (ev): -17.5729 -17.5729 -17.5680 -17.5679 -16.5057 -16.5056 -16.5052 -16.5049 -6.3654 -6.3649 -6.3540 -6.3537 -4.2759 -4.2756 -4.2725 -4.2718 -1.7998 -1.7984 -1.7823 -1.7823 -1.3696 -1.3694 -1.3461 -1.3445 -0.7466 -0.7455 -0.7372 -0.7371 0.2929 0.2938 0.2993 0.2998 9.6588 9.6591 9.6620 9.6620 11.1034 11.1044 11.1237 11.1239 k = 0.4766 0.5234 0.0331 ( 3320 PWs) bands (ev): -17.5763 -17.5762 -17.5652 -17.5651 -16.5056 -16.5055 -16.5044 -16.5040 -6.3734 -6.3727 -6.3481 -6.3476 -4.2783 -4.2778 -4.2705 -4.2695 -1.8162 -1.8143 -1.7795 -1.7795 -1.3765 -1.3761 -1.3251 -1.3230 -0.7487 -0.7470 -0.7281 -0.7280 0.2867 0.2880 0.3008 0.3015 9.6629 9.6634 9.6699 9.6700 11.0760 11.0774 11.1205 11.1208 k = 0.4688 0.5313 0.0442 ( 3320 PWs) bands (ev): -17.5811 -17.5810 -17.5613 -17.5612 -16.5055 -16.5053 -16.5034 -16.5029 -6.3846 -6.3837 -6.3397 -6.3391 -4.2816 -4.2810 -4.2677 -4.2664 -1.8366 -1.8343 -1.7756 -1.7755 -1.3858 -1.3853 -1.2978 -1.2952 -0.7514 -0.7491 -0.7157 -0.7156 0.2781 0.2798 0.3030 0.3039 9.6687 9.6693 9.6811 9.6812 11.0391 11.0409 11.1161 11.1164 k = 0.4609 0.5391 0.0552 ( 3320 PWs) bands (ev): -17.5871 -17.5870 -17.5563 -17.5562 -16.5054 -16.5051 -16.5021 -16.5014 -6.3988 -6.3977 -6.3290 -6.3282 -4.2858 -4.2850 -4.2641 -4.2625 -1.8598 -1.8571 -1.7705 -1.7704 -1.3970 -1.3964 -1.2656 -1.2627 -0.7547 -0.7519 -0.7004 -0.7003 0.2672 0.2694 0.3058 0.3070 9.6760 9.6768 9.6954 9.6956 10.9938 10.9959 11.1104 11.1109 k = 0.4531 0.5469 0.0663 ( 3312 PWs) bands (ev): -17.5945 -17.5943 -17.5502 -17.5500 -16.5052 -16.5049 -16.5004 -16.4996 -6.4159 -6.4146 -6.3160 -6.3150 -4.2908 -4.2899 -4.2598 -4.2579 -1.8845 -1.8817 -1.7643 -1.7642 -1.4100 -1.4093 -1.2297 -1.2265 -0.7587 -0.7554 -0.6825 -0.6823 0.2540 0.2566 0.3092 0.3106 9.6849 9.6858 9.7129 9.7131 10.9412 10.9434 11.1035 11.1042 k = 0.4453 0.5547 0.0773 ( 3320 PWs) bands (ev): -17.6031 -17.6029 -17.5431 -17.5428 -16.5050 -16.5046 -16.4985 -16.4976 -6.4359 -6.4345 -6.3007 -6.2996 -4.2967 -4.2957 -4.2549 -4.2527 -1.9101 -1.9071 -1.7571 -1.7570 -1.4243 -1.4236 -1.1908 -1.1874 -0.7632 -0.7594 -0.6623 -0.6621 0.2386 0.2416 0.3132 0.3148 9.6953 9.6963 9.7335 9.7336 10.8823 10.8846 11.0955 11.0963 k = 0.4375 0.5625 0.0884 ( 3316 PWs) bands (ev): -17.6129 -17.6127 -17.5348 -17.5345 -16.5047 -16.5043 -16.4963 -16.4953 -6.4587 -6.4571 -6.2833 -6.2820 -4.3035 -4.3023 -4.2495 -4.2471 -1.9358 -1.9327 -1.7488 -1.7487 -1.4396 -1.4389 -1.1496 -1.1461 -0.7683 -0.7641 -0.6402 -0.6400 0.2210 0.2245 0.3178 0.3195 9.7070 9.7082 9.7572 9.7573 10.8179 10.8203 11.0863 11.0873 k = 0.4297 0.5703 0.0994 ( 3320 PWs) bands (ev): -17.6240 -17.6237 -17.5255 -17.5252 -16.5044 -16.5040 -16.4939 -16.4927 -6.4841 -6.4824 -6.2637 -6.2622 -4.3111 -4.3097 -4.2436 -4.2410 -1.9613 -1.9581 -1.7395 -1.7394 -1.4557 -1.4549 -1.1066 -1.1030 -0.7740 -0.7692 -0.6165 -0.6163 0.2014 0.2052 0.3228 0.3247 9.7198 9.7212 9.7838 9.7840 10.7491 10.7514 11.0760 11.0773 k = 0.4219 0.5781 0.1105 ( 3326 PWs) bands (ev): -17.6361 -17.6359 -17.5151 -17.5148 -16.5040 -16.5036 -16.4912 -16.4899 -6.5121 -6.5102 -6.2420 -6.2404 -4.3195 -4.3180 -4.2374 -4.2345 -1.9862 -1.9828 -1.7292 -1.7291 -1.4723 -1.4715 -1.0622 -1.0584 -0.7801 -0.7749 -0.5915 -0.5913 0.1797 0.1839 0.3284 0.3305 9.7337 9.7352 9.8135 9.8136 10.6764 10.6787 11.0647 11.0662 k = 0.4141 0.5859 0.1215 ( 3318 PWs) bands (ev): -17.6494 -17.6491 -17.5037 -17.5033 -16.5037 -16.5032 -16.4883 -16.4869 -6.5424 -6.5404 -6.2184 -6.2166 -4.3287 -4.3270 -4.2310 -4.2279 -2.0101 -2.0067 -1.7180 -1.7178 -1.4892 -1.4884 -1.0166 -1.0127 -0.7866 -0.7809 -0.5653 -0.5652 0.1561 0.1607 0.3344 0.3366 9.7484 9.7500 9.8461 9.8462 10.6008 10.6029 11.0525 11.0542 k = 0.4062 0.5938 0.1326 ( 3318 PWs) bands (ev): -17.6637 -17.6634 -17.4912 -17.4909 -16.5032 -16.5027 -16.4851 -16.4836 -6.5750 -6.5729 -6.1928 -6.1910 -4.3385 -4.3367 -4.2244 -4.2212 -2.0329 -2.0295 -1.7058 -1.7056 -1.5061 -1.5053 -0.9700 -0.9661 -0.7935 -0.7875 -0.5383 -0.5381 0.1307 0.1357 0.3409 0.3432 9.7636 9.7652 9.8815 9.8816 10.5227 10.5246 11.0393 11.0414 k = 0.3984 0.6016 0.1436 ( 3314 PWs) bands (ev): -17.6790 -17.6787 -17.4778 -17.4774 -16.5028 -16.5022 -16.4818 -16.4802 -6.6097 -6.6075 -6.1655 -6.1636 -4.3491 -4.3472 -4.2178 -4.2144 -2.0545 -2.0510 -1.6928 -1.6926 -1.5229 -1.5221 -0.9226 -0.9188 -0.8008 -0.7943 -0.5106 -0.5104 0.1035 0.1090 0.3477 0.3501 9.7787 9.7804 9.9196 9.9197 10.4431 10.4447 11.0254 11.0278 k = 0.3906 0.6094 0.1547 ( 3314 PWs) bands (ev): -17.6952 -17.6949 -17.4634 -17.4629 -16.5023 -16.5017 -16.4782 -16.4766 -6.6464 -6.6441 -6.1366 -6.1345 -4.3604 -4.3583 -4.2112 -4.2077 -2.0746 -2.0710 -1.6789 -1.6787 -1.5394 -1.5387 -0.8747 -0.8708 -0.8083 -0.8015 -0.4823 -0.4822 0.0748 0.0806 0.3549 0.3574 9.7932 9.7947 9.9604 9.9604 10.3630 10.3641 11.0107 11.0136 k = 0.3828 0.6172 0.1657 ( 3306 PWs) bands (ev): -17.7123 -17.7120 -17.4480 -17.4475 -16.5018 -16.5011 -16.4745 -16.4728 -6.6849 -6.6826 -6.1060 -6.1038 -4.3723 -4.3700 -4.2048 -4.2012 -2.0932 -2.0895 -1.6642 -1.6640 -1.5555 -1.5549 -0.8263 -0.8224 -0.8162 -0.8090 -0.4537 -0.4535 0.0446 0.0508 0.3625 0.3650 9.8057 9.8070 10.0037 10.0037 10.2837 10.2842 10.9955 10.9988 k = 0.3750 0.6250 0.1768 ( 3322 PWs) bands (ev): -17.7302 -17.7299 -17.4317 -17.4312 -16.5012 -16.5005 -16.4707 -16.4689 -6.7252 -6.7229 -6.0741 -6.0717 -4.3848 -4.3823 -4.1987 -4.1950 -2.1101 -2.1064 -1.6489 -1.6485 -1.5712 -1.5706 -0.8242 -0.8168 -0.7775 -0.7738 -0.4249 -0.4246 0.0131 0.0196 0.3703 0.3728 9.8140 9.8148 10.0493 10.0494 10.2072 10.2077 10.9796 10.9835 k = 0.3750 0.6250 0.1768 ( 3322 PWs) bands (ev): -17.7302 -17.7299 -17.4317 -17.4312 -16.5012 -16.5005 -16.4707 -16.4689 -6.7252 -6.7229 -6.0741 -6.0717 -4.3848 -4.3823 -4.1987 -4.1950 -2.1101 -2.1064 -1.6489 -1.6485 -1.5712 -1.5706 -0.8242 -0.8168 -0.7775 -0.7738 -0.4249 -0.4246 0.0131 0.0196 0.3703 0.3728 9.8140 9.8148 10.0493 10.0494 10.2072 10.2077 10.9796 10.9835 k = 0.3611 0.6204 0.1833 ( 3312 PWs) bands (ev): -17.7430 -17.7428 -17.4196 -17.4191 -16.5008 -16.5001 -16.4683 -16.4664 -6.7536 -6.7513 -6.0507 -6.0483 -4.3928 -4.3903 -4.1957 -4.1920 -2.1191 -2.1153 -1.6396 -1.6390 -1.5792 -1.5788 -0.8309 -0.8232 -0.7482 -0.7446 -0.4068 -0.4060 -0.0056 0.0011 0.3754 0.3780 9.8078 9.8080 10.0813 10.0816 10.1653 10.1666 10.9707 10.9750 k = 0.3472 0.6157 0.1899 ( 3317 PWs) bands (ev): -17.7590 -17.7587 -17.4042 -17.4036 -16.5004 -16.4997 -16.4657 -16.4638 -6.7888 -6.7865 -6.0208 -6.0183 -4.4017 -4.3991 -4.1940 -4.1902 -2.1268 -2.1230 -1.6313 -1.6298 -1.5847 -1.5840 -0.8406 -0.8325 -0.7189 -0.7154 -0.3870 -0.3855 -0.0233 -0.0164 0.3812 0.3839 9.7864 9.7867 10.1076 10.1088 10.1372 10.1402 10.9632 10.9679 k = 0.3333 0.6111 0.1964 ( 3318 PWs) bands (ev): -17.7769 -17.7766 -17.3865 -17.3860 -16.4999 -16.4992 -16.4628 -16.4610 -6.8286 -6.8264 -5.9863 -5.9837 -4.4114 -4.4088 -4.1934 -4.1897 -2.1335 -2.1297 -1.6261 -1.6233 -1.5856 -1.5840 -0.8523 -0.8438 -0.6900 -0.6868 -0.3662 -0.3640 -0.0397 -0.0326 0.3878 0.3906 9.7550 9.7557 10.0830 10.0839 10.1660 10.1679 10.9571 10.9625 k = 0.3194 0.6065 0.2030 ( 3312 PWs) bands (ev): -17.7961 -17.7958 -17.3674 -17.3669 -16.4993 -16.4986 -16.4598 -16.4579 -6.8716 -6.8694 -5.9486 -5.9460 -4.4218 -4.4191 -4.1940 -4.1903 -2.1391 -2.1353 -1.6254 -1.6217 -1.5797 -1.5775 -0.8654 -0.8565 -0.6623 -0.6594 -0.3449 -0.3422 -0.0544 -0.0471 0.3952 0.3982 9.7167 9.7179 10.0500 10.0515 10.2032 10.2050 10.9528 10.9588 k = 0.3056 0.6019 0.2095 ( 3310 PWs) bands (ev): -17.8158 -17.8156 -17.3476 -17.3470 -16.4987 -16.4980 -16.4566 -16.4547 -6.9164 -6.9142 -5.9091 -5.9063 -4.4327 -4.4299 -4.1958 -4.1920 -2.1438 -2.1399 -1.6278 -1.6237 -1.5682 -1.5660 -0.8796 -0.8702 -0.6364 -0.6339 -0.3236 -0.3204 -0.0669 -0.0594 0.4033 0.4065 9.6738 9.6752 10.0187 10.0206 10.2378 10.2398 10.9503 10.9570 k = 0.2917 0.5972 0.2161 ( 3314 PWs) bands (ev): -17.8358 -17.8355 -17.3275 -17.3269 -16.4981 -16.4974 -16.4532 -16.4513 -6.9621 -6.9600 -5.8684 -5.8656 -4.4440 -4.4411 -4.1986 -4.1949 -2.1475 -2.1437 -1.6313 -1.6270 -1.5538 -1.5517 -0.8944 -0.8845 -0.6131 -0.6112 -0.3025 -0.2989 -0.0767 -0.0691 0.4122 0.4155 9.6275 9.6292 9.9893 9.9914 10.2686 10.2709 10.9495 10.9569 k = 0.2778 0.5926 0.2226 ( 3314 PWs) bands (ev): -17.8556 -17.8553 -17.3074 -17.3068 -16.4974 -16.4967 -16.4496 -16.4477 -7.0081 -7.0061 -5.8273 -5.8244 -4.4556 -4.4527 -4.2024 -4.1988 -2.1504 -2.1466 -1.6349 -1.6304 -1.5377 -1.5357 -0.9095 -0.8991 -0.5934 -0.5921 -0.2817 -0.2779 -0.0833 -0.0756 0.4217 0.4252 9.5791 9.5809 9.9616 9.9638 10.2952 10.2976 10.9502 10.9584 k = 0.2639 0.5880 0.2292 ( 3318 PWs) bands (ev): -17.8750 -17.8748 -17.2876 -17.2870 -16.4967 -16.4960 -16.4458 -16.4439 -7.0538 -7.0519 -5.7863 -5.7833 -4.4673 -4.4644 -4.2073 -4.2037 -2.1525 -2.1488 -1.6381 -1.6334 -1.5205 -1.5186 -0.9247 -0.9137 -0.5780 -0.5772 -0.2613 -0.2574 -0.0861 -0.0783 0.4318 0.4355 9.5293 9.5313 9.9352 9.9375 10.3176 10.3202 10.9524 10.9612 k = 0.2500 0.5833 0.2357 ( 3310 PWs) bands (ev): -17.8940 -17.8938 -17.2683 -17.2677 -16.4959 -16.4952 -16.4418 -16.4400 -7.0988 -7.0969 -5.7457 -5.7426 -4.4790 -4.4760 -4.2130 -4.2095 -2.1539 -2.1502 -1.6407 -1.6359 -1.5027 -1.5008 -0.9396 -0.9280 -0.5679 -0.5670 -0.2414 -0.2374 -0.0847 -0.0770 0.4424 0.4462 9.4790 9.4810 9.9100 9.9123 10.3359 10.3387 10.9555 10.9650 k = 0.2361 0.5787 0.2422 ( 3320 PWs) bands (ev): -17.9123 -17.9121 -17.2497 -17.2491 -16.4952 -16.4945 -16.4377 -16.4360 -7.1427 -7.1409 -5.7058 -5.7027 -4.4906 -4.4876 -4.2196 -4.2161 -2.1546 -2.1510 -1.6428 -1.6378 -1.4844 -1.4825 -0.9542 -0.9419 -0.5635 -0.5617 -0.2221 -0.2183 -0.0791 -0.0714 0.4534 0.4573 9.4287 9.4308 9.8860 9.8882 10.3507 10.3536 10.9593 10.9694 k = 0.2222 0.5741 0.2488 ( 3320 PWs) bands (ev): -17.9299 -17.9297 -17.2318 -17.2312 -16.4944 -16.4937 -16.4335 -16.4318 -7.1853 -7.1836 -5.6668 -5.6637 -4.5019 -4.4989 -4.2270 -4.2236 -2.1547 -2.1512 -1.6443 -1.6391 -1.4660 -1.4639 -0.9680 -0.9551 -0.5644 -0.5615 -0.2039 -0.2003 -0.0689 -0.0615 0.4646 0.4686 9.3789 9.3810 9.8630 9.8651 10.3624 10.3653 10.9635 10.9740 k = 0.2083 0.5694 0.2553 ( 3326 PWs) bands (ev): -17.9467 -17.9465 -17.2148 -17.2142 -16.4937 -16.4930 -16.4293 -16.4276 -7.2263 -7.2247 -5.6291 -5.6260 -4.5128 -4.5099 -4.2351 -4.2318 -2.1544 -2.1510 -1.6452 -1.6399 -1.4476 -1.4452 -0.9809 -0.9673 -0.5701 -0.5661 -0.1871 -0.1839 -0.0545 -0.0474 0.4759 0.4800 9.3300 9.3321 9.8410 9.8431 10.3714 10.3744 10.9676 10.9785 k = 0.1944 0.5648 0.2619 ( 3322 PWs) bands (ev): -17.9625 -17.9624 -17.1987 -17.1981 -16.4929 -16.4923 -16.4249 -16.4233 -7.2655 -7.2639 -5.5928 -5.5897 -4.5232 -4.5203 -4.2437 -4.2405 -2.1536 -2.1503 -1.6455 -1.6402 -1.4295 -1.4268 -0.9927 -0.9783 -0.5799 -0.5749 -0.1723 -0.1695 -0.0361 -0.0294 0.4872 0.4912 9.2824 9.2845 9.8201 9.8221 10.3783 10.3813 10.9715 10.9827 k = 0.1806 0.5602 0.2684 ( 3320 PWs) bands (ev): -17.9775 -17.9773 -17.1836 -17.1831 -16.4921 -16.4915 -16.4206 -16.4190 -7.3026 -7.3012 -5.5581 -5.5550 -4.5330 -4.5301 -4.2529 -4.2498 -2.1524 -2.1492 -1.6453 -1.6400 -1.4120 -1.4089 -1.0029 -0.9879 -0.5931 -0.5873 -0.1594 -0.1571 -0.0146 -0.0085 0.4982 0.5022 9.2365 9.2385 9.8003 9.8022 10.3834 10.3863 10.9751 10.9864 k = 0.1667 0.5556 0.2750 ( 3317 PWs) bands (ev): -17.9915 -17.9913 -17.1696 -17.1691 -16.4914 -16.4908 -16.4162 -16.4148 -7.3377 -7.3363 -5.5251 -5.5220 -4.5420 -4.5392 -4.2625 -4.2595 -2.1509 -2.1479 -1.6446 -1.6393 -1.3954 -1.3919 -1.0113 -0.9956 -0.6092 -0.6026 -0.1484 -0.1466 0.0090 0.0146 0.5088 0.5128 9.1926 9.1946 9.7817 9.7834 10.3872 10.3901 10.9781 10.9894 k = 0.1528 0.5509 0.2815 ( 3320 PWs) bands (ev): -18.0044 -18.0043 -17.1566 -17.1561 -16.4907 -16.4902 -16.4120 -16.4106 -7.3704 -7.3692 -5.4940 -5.4910 -4.5503 -4.5475 -4.2723 -4.2695 -2.1492 -2.1464 -1.6435 -1.6383 -1.3799 -1.3761 -1.0174 -1.0011 -0.6274 -0.6201 -0.1391 -0.1377 0.0339 0.0390 0.5190 0.5229 9.1510 9.1529 9.7643 9.7659 10.3899 10.3927 10.9807 10.9919 k = 0.1389 0.5463 0.2881 ( 3325 PWs) bands (ev): -18.0164 -18.0162 -17.1448 -17.1443 -16.4900 -16.4896 -16.4079 -16.4066 -7.4007 -7.3996 -5.4650 -5.4621 -4.5576 -4.5550 -4.2822 -4.2796 -2.1473 -2.1447 -1.6421 -1.6371 -1.3660 -1.3618 -1.0211 -1.0042 -0.6474 -0.6394 -0.1312 -0.1302 0.0591 0.0637 0.5285 0.5323 9.1119 9.1137 9.7483 9.7497 10.3919 10.3945 10.9829 10.9938 k = 0.1250 0.5417 0.2946 ( 3321 PWs) bands (ev): -18.0272 -18.0271 -17.1340 -17.1336 -16.4894 -16.4890 -16.4040 -16.4028 -7.4284 -7.4274 -5.4382 -5.4355 -4.5640 -4.5615 -4.2921 -4.2897 -2.1453 -2.1429 -1.6404 -1.6356 -1.3537 -1.3493 -1.0218 -1.0046 -0.6686 -0.6600 -0.1246 -0.1238 0.0839 0.0881 0.5372 0.5408 9.0758 9.0774 9.7336 9.7349 10.3932 10.3957 10.9847 10.9952 k = 0.1111 0.5370 0.3012 ( 3325 PWs) bands (ev): -18.0370 -18.0369 -17.1244 -17.1240 -16.4888 -16.4884 -16.4003 -16.3992 -7.4535 -7.4526 -5.4138 -5.4113 -4.5694 -4.5671 -4.3018 -4.2996 -2.1433 -2.1411 -1.6385 -1.6339 -1.3434 -1.3389 -1.0195 -1.0021 -0.6908 -0.6817 -0.1190 -0.1185 0.1077 0.1114 0.5452 0.5486 9.0427 9.0442 9.7203 9.7214 10.3942 10.3964 10.9863 10.9961 k = 0.0972 0.5324 0.3077 ( 3323 PWs) bands (ev): -18.0456 -18.0455 -17.1159 -17.1156 -16.4883 -16.4880 -16.3969 -16.3960 -7.4759 -7.4751 -5.3919 -5.3896 -4.5739 -4.5717 -4.3111 -4.3091 -2.1414 -2.1394 -1.6364 -1.6323 -1.3351 -1.3307 -1.0139 -0.9967 -0.7135 -0.7040 -0.1144 -0.1140 0.1299 0.1333 0.5522 0.5553 9.0130 9.0143 9.7084 9.7095 10.3948 10.3969 10.9876 10.9967 k = 0.0833 0.5278 0.3143 ( 3325 PWs) bands (ev): -18.0532 -18.0531 -17.1086 -17.1083 -16.4878 -16.4875 -16.3938 -16.3930 -7.4954 -7.4947 -5.3726 -5.3705 -4.5774 -4.5755 -4.3198 -4.3180 -2.1396 -2.1379 -1.6344 -1.6306 -1.3286 -1.3246 -1.0053 -0.9885 -0.7366 -0.7266 -0.1106 -0.1103 0.1502 0.1531 0.5583 0.5611 8.9867 8.9880 9.6981 9.6990 10.3953 10.3971 10.9888 10.9970 k = 0.0694 0.5231 0.3208 ( 3325 PWs) bands (ev): -18.0596 -18.0595 -17.1024 -17.1021 -16.4874 -16.4872 -16.3911 -16.3904 -7.5120 -7.5115 -5.3561 -5.3543 -4.5801 -4.5785 -4.3276 -4.3261 -2.1379 -2.1365 -1.6324 -1.6291 -1.3239 -1.3203 -0.9940 -0.9778 -0.7595 -0.7492 -0.1075 -0.1073 0.1680 0.1705 0.5635 0.5659 8.9643 8.9653 9.6893 9.6901 10.3956 10.3971 10.9900 10.9971 k = 0.0556 0.5185 0.3274 ( 3321 PWs) bands (ev): -18.0648 -18.0647 -17.0973 -17.0971 -16.4871 -16.4869 -16.3888 -16.3883 -7.5257 -7.5252 -5.3423 -5.3409 -4.5821 -4.5807 -4.3344 -4.3332 -2.1364 -2.1353 -1.6305 -1.6278 -1.3205 -1.3175 -0.9804 -0.9652 -0.7818 -0.7715 -0.1050 -0.1049 0.1832 0.1852 0.5677 0.5698 8.9457 8.9465 9.6821 9.6827 10.3958 10.3971 10.9910 10.9969 k = 0.0417 0.5139 0.3339 ( 3327 PWs) bands (ev): -18.0689 -18.0688 -17.0934 -17.0932 -16.4868 -16.4866 -16.3870 -16.3866 -7.5364 -7.5360 -5.3315 -5.3304 -4.5834 -4.5823 -4.3400 -4.3390 -2.1352 -2.1343 -1.6289 -1.6268 -1.3182 -1.3159 -0.9654 -0.9517 -0.8028 -0.7928 -0.1032 -0.1031 0.1953 0.1969 0.5710 0.5726 8.9311 8.9317 9.6765 9.6769 10.3960 10.3969 10.9921 10.9966 k = 0.0278 0.5093 0.3405 ( 3330 PWs) bands (ev): -18.0718 -18.0718 -17.0906 -17.0905 -16.4866 -16.4865 -16.3857 -16.3854 -7.5440 -7.5438 -5.3237 -5.3230 -4.5842 -4.5834 -4.3440 -4.3434 -2.1343 -2.1337 -1.6276 -1.6262 -1.3168 -1.3152 -0.9502 -0.9389 -0.8211 -0.8123 -0.1019 -0.1019 0.2043 0.2053 0.5735 0.5745 8.9206 8.9210 9.6725 9.6728 10.3961 10.3968 10.9931 10.9962 k = 0.0139 0.5046 0.3470 ( 3320 PWs) bands (ev): -18.0735 -18.0735 -17.0889 -17.0888 -16.4865 -16.4864 -16.3848 -16.3847 -7.5486 -7.5485 -5.3189 -5.3185 -4.5845 -4.5841 -4.3465 -4.3462 -2.1336 -2.1333 -1.6266 -1.6259 -1.3158 -1.3150 -0.9367 -0.9298 -0.8336 -0.8279 -0.1011 -0.1011 0.2098 0.2103 0.5750 0.5756 8.9143 8.9145 9.6701 9.6702 10.3963 10.3966 10.9940 10.9956 k = 0.0000 0.5000 0.3536 ( 3316 PWs) bands (ev): -18.0741 -18.0741 -17.0883 -17.0883 -16.4864 -16.4864 -16.3845 -16.3845 -7.5501 -7.5501 -5.3172 -5.3172 -4.5845 -4.5845 -4.3472 -4.3472 -2.1333 -2.1333 -1.6260 -1.6260 -1.3152 -1.3152 -0.9286 -0.9286 -0.8363 -0.8363 -0.1009 -0.1009 0.2119 0.2119 0.5757 0.5757 8.9123 8.9123 9.6693 9.6693 10.3964 10.3964 10.9948 10.9948 k = 0.0000 0.5000 0.3536 ( 3316 PWs) bands (ev): -18.0741 -18.0741 -17.0883 -17.0883 -16.4864 -16.4864 -16.3845 -16.3845 -7.5501 -7.5501 -5.3172 -5.3172 -4.5845 -4.5845 -4.3472 -4.3472 -2.1333 -2.1333 -1.6260 -1.6260 -1.3152 -1.3152 -0.9286 -0.9286 -0.8363 -0.8363 -0.1009 -0.1009 0.2119 0.2119 0.5757 0.5757 8.9123 8.9123 9.6693 9.6693 10.3964 10.3964 10.9948 10.9948 k = 0.0078 0.4922 0.3646 ( 3322 PWs) bands (ev): -18.0736 -18.0736 -17.0890 -17.0890 -16.4864 -16.4863 -16.3845 -16.3845 -7.5489 -7.5488 -5.3199 -5.3196 -4.5831 -4.5827 -4.3469 -4.3468 -2.1336 -2.1335 -1.6272 -1.6267 -1.3164 -1.3157 -0.9270 -0.9261 -0.8359 -0.8356 -0.1023 -0.1019 0.2116 0.2117 0.5754 0.5760 8.9143 8.9144 9.6702 9.6703 10.3956 10.3963 10.9940 10.9944 k = 0.0156 0.4844 0.3757 ( 3328 PWs) bands (ev): -18.0721 -18.0721 -17.0911 -17.0911 -16.4862 -16.4860 -16.3847 -16.3847 -7.5453 -7.5452 -5.3274 -5.3269 -4.5786 -4.5778 -4.3459 -4.3456 -2.1343 -2.1342 -1.6301 -1.6293 -1.3191 -1.3177 -0.9213 -0.9195 -0.8346 -0.8340 -0.1062 -0.1053 0.2109 0.2110 0.5748 0.5760 8.9203 8.9205 9.6728 9.6729 10.3939 10.3951 10.9920 10.9926 k = 0.0234 0.4766 0.3867 ( 3324 PWs) bands (ev): -18.0695 -18.0695 -17.0947 -17.0946 -16.4858 -16.4856 -16.3850 -16.3849 -7.5393 -7.5392 -5.3398 -5.3389 -4.5713 -4.5700 -4.3441 -4.3437 -2.1355 -2.1352 -1.6349 -1.6335 -1.3231 -1.3211 -0.9117 -0.9091 -0.8323 -0.8315 -0.1125 -0.1112 0.2097 0.2100 0.5742 0.5759 8.9304 8.9306 9.6771 9.6774 10.3912 10.3931 10.9886 10.9896 k = 0.0312 0.4688 0.3977 ( 3320 PWs) bands (ev): -18.0660 -18.0659 -17.0996 -17.0995 -16.4853 -16.4850 -16.3854 -16.3853 -7.5310 -7.5307 -5.3565 -5.3554 -4.5613 -4.5597 -4.3417 -4.3411 -2.1371 -2.1367 -1.6413 -1.6396 -1.3280 -1.3256 -0.8985 -0.8953 -0.8291 -0.8281 -0.1210 -0.1193 0.2081 0.2085 0.5733 0.5756 8.9445 8.9448 9.6832 9.6835 10.3877 10.3902 10.9840 10.9854 k = 0.0391 0.4609 0.4088 ( 3322 PWs) bands (ev): -18.0614 -18.0613 -17.1059 -17.1057 -16.4847 -16.4843 -16.3859 -16.3857 -7.5203 -7.5200 -5.3773 -5.3760 -4.5491 -4.5472 -4.3385 -4.3378 -2.1391 -2.1386 -1.6494 -1.6472 -1.3336 -1.3307 -0.8823 -0.8785 -0.8252 -0.8239 -0.1317 -0.1296 0.2061 0.2065 0.5721 0.5749 8.9624 8.9628 9.6910 9.6914 10.3835 10.3866 10.9781 10.9798 k = 0.0469 0.4531 0.4198 ( 3320 PWs) bands (ev): -18.0558 -18.0558 -17.1135 -17.1133 -16.4839 -16.4834 -16.3865 -16.3863 -7.5073 -7.5069 -5.4017 -5.4003 -4.5351 -4.5328 -4.3347 -4.3339 -2.1414 -2.1408 -1.6590 -1.6564 -1.3393 -1.3362 -0.8634 -0.8592 -0.8206 -0.8190 -0.1443 -0.1419 0.2037 0.2042 0.5706 0.5738 8.9843 8.9847 9.7004 9.7009 10.3787 10.3823 10.9709 10.9728 k = 0.0547 0.4453 0.4309 ( 3318 PWs) bands (ev): -18.0492 -18.0492 -17.1224 -17.1222 -16.4830 -16.4824 -16.3872 -16.3870 -7.4919 -7.4915 -5.4293 -5.4278 -4.5195 -4.5171 -4.3303 -4.3293 -2.1441 -2.1433 -1.6700 -1.6671 -1.3450 -1.3417 -0.8426 -0.8381 -0.8152 -0.8132 -0.1585 -0.1559 0.2009 0.2016 0.5686 0.5723 9.0098 9.0103 9.7115 9.7120 10.3735 10.3775 10.9623 10.9646 k = 0.0625 0.4375 0.4419 ( 3310 PWs) bands (ev): -18.0417 -18.0416 -17.1326 -17.1324 -16.4819 -16.4813 -16.3880 -16.3878 -7.4744 -7.4739 -5.4599 -5.4583 -4.5029 -4.5002 -4.3253 -4.3242 -2.1469 -2.1461 -1.6823 -1.6790 -1.3503 -1.3468 -0.8216 -0.8183 -0.8078 -0.8042 -0.1743 -0.1715 0.1978 0.1986 0.5662 0.5702 9.0391 9.0396 9.7241 9.7247 10.3679 10.3723 10.9524 10.9549 k = 0.0703 0.4297 0.4530 ( 3312 PWs) bands (ev): -18.0331 -18.0331 -17.1441 -17.1439 -16.4807 -16.4800 -16.3889 -16.3886 -7.4546 -7.4541 -5.4930 -5.4913 -4.4855 -4.4826 -4.3198 -4.3185 -2.1499 -2.1489 -1.6957 -1.6922 -1.3550 -1.3514 -0.8092 -0.8076 -0.7904 -0.7846 -0.1912 -0.1882 0.1944 0.1953 0.5631 0.5675 9.0718 9.0724 9.7383 9.7390 10.3621 10.3670 10.9411 10.9439 k = 0.0781 0.4219 0.4640 ( 3312 PWs) bands (ev): -18.0236 -18.0236 -17.1567 -17.1565 -16.4794 -16.4786 -16.3899 -16.3896 -7.4327 -7.4322 -5.5283 -5.5266 -4.4676 -4.4645 -4.3138 -4.3123 -2.1530 -2.1519 -1.7102 -1.7064 -1.3589 -1.3552 -0.8032 -0.8017 -0.7654 -0.7592 -0.2090 -0.2059 0.1907 0.1917 0.5594 0.5640 9.1079 9.1086 9.7539 9.7547 10.3563 10.3615 10.9284 10.9314 k = 0.0859 0.4141 0.4751 ( 3318 PWs) bands (ev): -18.0132 -18.0131 -17.1705 -17.1703 -16.4780 -16.4772 -16.3910 -16.3907 -7.4087 -7.4081 -5.5657 -5.5640 -4.4494 -4.4462 -4.3073 -4.3058 -2.1561 -2.1548 -1.7256 -1.7216 -1.3618 -1.3580 -0.7988 -0.7972 -0.7386 -0.7320 -0.2273 -0.2242 0.1869 0.1880 0.5548 0.5598 9.1472 9.1479 9.7709 9.7718 10.3506 10.3561 10.9142 10.9174 k = 0.0938 0.4063 0.4861 ( 3322 PWs) bands (ev): -18.0018 -18.0017 -17.1854 -17.1851 -16.4765 -16.4756 -16.3922 -16.3919 -7.3827 -7.3821 -5.6048 -5.6031 -4.4311 -4.4278 -4.3005 -4.2988 -2.1591 -2.1577 -1.7418 -1.7375 -1.3636 -1.3598 -0.7954 -0.7938 -0.7107 -0.7039 -0.2457 -0.2426 0.1829 0.1841 0.5495 0.5546 9.1896 9.1903 9.7892 9.7902 10.3451 10.3508 10.8985 10.9019 k = 0.1016 0.3984 0.4972 ( 3318 PWs) bands (ev): -17.9896 -17.9895 -17.2013 -17.2010 -16.4748 -16.4739 -16.3935 -16.3931 -7.3548 -7.3541 -5.6454 -5.6438 -4.4130 -4.4096 -4.2934 -4.2916 -2.1619 -2.1603 -1.7587 -1.7542 -1.3642 -1.3604 -0.7933 -0.7917 -0.6823 -0.6752 -0.2638 -0.2609 0.1789 0.1802 0.5433 0.5485 9.2348 9.2355 9.8087 9.8098 10.3399 10.3458 10.8814 10.8850 k = 0.1094 0.3906 0.5082 ( 3322 PWs) bands (ev): -17.9764 -17.9763 -17.2182 -17.2179 -16.4731 -16.4721 -16.3949 -16.3945 -7.3249 -7.3242 -5.6875 -5.6859 -4.3952 -4.3916 -4.2861 -4.2841 -2.1644 -2.1627 -1.7762 -1.7715 -1.3635 -1.3598 -0.7927 -0.7913 -0.6535 -0.6463 -0.2811 -0.2784 0.1749 0.1763 0.5361 0.5415 9.2826 9.2833 9.8294 9.8305 10.3351 10.3412 10.8628 10.8665 k = 0.1172 0.3828 0.5193 ( 3316 PWs) bands (ev): -17.9624 -17.9622 -17.2360 -17.2358 -16.4712 -16.4702 -16.3964 -16.3959 -7.2933 -7.2926 -5.7308 -5.7292 -4.3777 -4.3741 -4.2787 -4.2765 -2.1666 -2.1647 -1.7940 -1.7892 -1.3615 -1.3579 -0.7942 -0.7929 -0.6246 -0.6172 -0.2973 -0.2949 0.1711 0.1725 0.5280 0.5334 9.3328 9.3335 9.8510 9.8523 10.3308 10.3370 10.8427 10.8465 k = 0.1250 0.3750 0.5303 ( 3320 PWs) bands (ev): -17.9475 -17.9473 -17.2547 -17.2545 -16.4693 -16.4683 -16.3979 -16.3975 -7.2599 -7.2592 -5.7752 -5.7737 -4.3608 -4.3571 -4.2711 -4.2689 -2.1683 -2.1663 -1.8123 -1.8073 -1.3582 -1.3547 -0.7978 -0.7968 -0.5959 -0.5884 -0.3120 -0.3099 0.1675 0.1690 0.5188 0.5243 9.3851 9.3858 9.8736 9.8750 10.3268 10.3332 10.8210 10.8249 k = 0.1328 0.3672 0.5414 ( 3316 PWs) bands (ev): -17.9318 -17.9316 -17.2742 -17.2740 -16.4673 -16.4663 -16.3996 -16.3991 -7.2248 -7.2241 -5.8205 -5.8191 -4.3445 -4.3407 -4.2636 -4.2612 -2.1695 -2.1673 -1.8308 -1.8257 -1.3535 -1.3500 -0.8040 -0.8032 -0.5676 -0.5599 -0.3247 -0.3230 0.1643 0.1659 0.5086 0.5141 9.4392 9.4399 9.8969 9.8985 10.3234 10.3298 10.7978 10.8018 k = 0.1406 0.3594 0.5524 ( 3324 PWs) bands (ev): -17.9153 -17.9151 -17.2944 -17.2942 -16.4652 -16.4642 -16.4013 -16.4008 -7.1882 -7.1875 -5.8668 -5.8655 -4.3288 -4.3250 -4.2561 -4.2537 -2.1701 -2.1677 -1.8494 -1.8443 -1.3474 -1.3441 -0.8130 -0.8124 -0.5399 -0.5321 -0.3352 -0.3339 0.1616 0.1633 0.4974 0.5028 9.4949 9.4955 9.9210 9.9226 10.3204 10.3268 10.7731 10.7771 k = 0.1484 0.3516 0.5635 ( 3322 PWs) bands (ev): -17.8980 -17.8979 -17.3153 -17.3152 -16.4631 -16.4620 -16.4031 -16.4026 -7.1501 -7.1495 -5.9138 -5.9126 -4.3139 -4.3100 -4.2489 -4.2463 -2.1700 -2.1674 -1.8681 -1.8629 -1.3399 -1.3367 -0.8247 -0.8244 -0.5131 -0.5052 -0.3433 -0.3425 0.1597 0.1613 0.4852 0.4905 9.5519 9.5524 9.9455 9.9472 10.3177 10.3241 10.7470 10.7510 k = 0.1562 0.3438 0.5745 ( 3322 PWs) bands (ev): -17.8800 -17.8799 -17.3369 -17.3367 -16.4609 -16.4598 -16.4050 -16.4044 -7.1107 -7.1100 -5.9616 -5.9604 -4.2998 -4.2959 -4.2419 -4.2392 -2.1691 -2.1663 -1.8869 -1.8816 -1.3310 -1.3278 -0.8391 -0.8391 -0.4874 -0.4795 -0.3491 -0.3488 0.1586 0.1603 0.4719 0.4771 9.6098 9.6103 9.9704 9.9723 10.3152 10.3216 10.7193 10.7233 k = 0.1641 0.3359 0.5856 ( 3316 PWs) bands (ev): -17.8613 -17.8612 -17.3590 -17.3588 -16.4586 -16.4575 -16.4069 -16.4063 -7.0698 -7.0692 -6.0099 -6.0088 -4.2866 -4.2826 -4.2352 -4.2324 -2.1673 -2.1644 -1.9055 -1.9002 -1.3207 -1.3176 -0.8564 -0.8561 -0.4631 -0.4552 -0.3529 -0.3526 0.1586 0.1602 0.4577 0.4628 9.6684 9.6687 9.9955 9.9975 10.3128 10.3192 10.6902 10.6941 k = 0.1719 0.3281 0.5966 ( 3316 PWs) bands (ev): -17.8419 -17.8418 -17.3815 -17.3814 -16.4563 -16.4552 -16.4090 -16.4083 -7.0278 -7.0272 -6.0587 -6.0577 -4.2742 -4.2702 -4.2289 -4.2260 -2.1647 -2.1615 -1.9239 -1.9187 -1.3090 -1.3061 -0.8760 -0.8754 -0.4404 -0.4325 -0.3549 -0.3541 0.1599 0.1614 0.4426 0.4475 9.7272 9.7274 10.0206 10.0228 10.3104 10.3167 10.6595 10.6633 k = 0.1797 0.3203 0.6077 ( 3322 PWs) bands (ev): -17.8219 -17.8218 -17.4045 -17.4044 -16.4540 -16.4529 -16.4110 -16.4104 -6.9846 -6.9841 -6.1080 -6.1071 -4.2628 -4.2587 -4.2231 -4.2201 -2.1612 -2.1578 -1.9421 -1.9369 -1.2959 -1.2931 -0.8975 -0.8966 -0.4196 -0.4119 -0.3552 -0.3538 0.1626 0.1640 0.4266 0.4313 9.7860 9.7861 10.0456 10.0479 10.3076 10.3138 10.6274 10.6311 k = 0.1875 0.3125 0.6187 ( 3324 PWs) bands (ev): -17.8013 -17.8012 -17.4279 -17.4278 -16.4516 -16.4505 -16.4132 -16.4125 -6.9404 -6.9399 -6.1576 -6.1569 -4.2523 -4.2482 -4.2179 -4.2148 -2.1567 -2.1531 -1.9600 -1.9548 -1.2815 -1.2788 -0.9205 -0.9194 -0.4009 -0.3935 -0.3540 -0.3521 0.1670 0.1682 0.4098 0.4143 9.8443 9.8444 10.0703 10.0728 10.3043 10.3105 10.5939 10.5974 k = 0.1953 0.3047 0.6298 ( 3320 PWs) bands (ev): -17.7802 -17.7801 -17.4515 -17.4514 -16.4492 -16.4481 -16.4153 -16.4146 -6.8952 -6.8947 -6.2075 -6.2069 -4.2428 -4.2387 -4.2133 -4.2102 -2.1513 -2.1474 -1.9775 -1.9724 -1.2657 -1.2631 -0.9447 -0.9434 -0.3845 -0.3775 -0.3518 -0.3491 0.1732 0.1742 0.3924 0.3966 9.9019 9.9023 10.0946 10.0972 10.3004 10.3064 10.5589 10.5622 k = 0.2031 0.2969 0.6408 ( 3322 PWs) bands (ev): -17.7585 -17.7584 -17.4754 -17.4753 -16.4468 -16.4457 -16.4176 -16.4169 -6.8491 -6.8487 -6.2577 -6.2571 -4.2343 -4.2302 -4.2094 -4.2062 -2.1448 -2.1407 -1.9945 -1.9895 -1.2487 -1.2462 -0.9697 -0.9683 -0.3704 -0.3643 -0.3488 -0.3452 0.1812 0.1819 0.3744 0.3784 9.9586 9.9591 10.1181 10.1209 10.2954 10.3013 10.5224 10.5256 k = 0.2109 0.2891 0.6519 ( 3324 PWs) bands (ev): -17.7364 -17.7362 -17.4994 -17.4994 -16.4444 -16.4433 -16.4199 -16.4191 -6.8023 -6.8019 -6.3079 -6.3075 -4.2268 -4.2227 -4.2063 -4.2030 -2.1374 -2.1331 -2.0110 -2.0062 -1.2303 -1.2280 -0.9953 -0.9937 -0.3589 -0.3539 -0.3455 -0.3406 0.1912 0.1915 0.3560 0.3596 10.0141 10.0149 10.1408 10.1437 10.2893 10.2950 10.4844 10.4874 k = 0.2188 0.2813 0.6629 ( 3322 PWs) bands (ev): -17.7138 -17.7137 -17.5236 -17.5236 -16.4419 -16.4408 -16.4221 -16.4214 -6.7547 -6.7544 -6.3583 -6.3579 -4.2204 -4.2162 -4.2039 -4.2007 -2.1291 -2.1244 -2.0269 -2.0222 -1.2108 -1.2085 -1.0210 -1.0193 -0.3498 -0.3463 -0.3420 -0.3356 0.2028 0.2030 0.3374 0.3406 10.0682 10.0692 10.1624 10.1655 10.2818 10.2874 10.4449 10.4476 k = 0.2266 0.2734 0.6740 ( 3318 PWs) bands (ev): -17.6908 -17.6907 -17.5478 -17.5478 -16.4395 -16.4384 -16.4245 -16.4238 -6.7065 -6.7062 -6.4086 -6.4083 -4.2151 -4.2108 -4.2024 -4.1992 -2.1198 -2.1148 -2.0420 -2.0377 -1.1901 -1.1880 -1.0467 -1.0448 -0.3431 -0.3410 -0.3388 -0.3309 0.2158 0.2164 0.3186 0.3215 10.1207 10.1220 10.1829 10.1860 10.2729 10.2784 10.4040 10.4064 k = 0.2344 0.2656 0.6850 ( 3318 PWs) bands (ev): -17.6675 -17.6674 -17.5720 -17.5719 -16.4371 -16.4359 -16.4268 -16.4261 -6.6577 -6.6575 -6.4588 -6.4586 -4.2109 -4.2064 -4.2016 -4.1985 -2.1099 -2.1043 -2.0562 -2.0524 -1.1685 -1.1665 -1.0721 -1.0701 -0.3385 -0.3373 -0.3362 -0.3273 0.2303 0.2314 0.3001 0.3025 10.1712 10.1728 10.2020 10.2050 10.2624 10.2679 10.3615 10.3636 k = 0.2422 0.2578 0.6961 ( 3316 PWs) bands (ev): -17.6439 -17.6439 -17.5961 -17.5960 -16.4349 -16.4335 -16.4290 -16.4285 -6.6085 -6.6084 -6.5089 -6.5088 -4.2080 -4.2032 -4.2016 -4.1988 -2.0998 -2.0931 -2.0688 -2.0661 -1.1459 -1.1443 -1.0969 -1.0945 -0.3357 -0.3351 -0.3347 -0.3251 0.2459 0.2476 0.2821 0.2839 10.2161 10.2181 10.2225 10.2242 10.2512 10.2573 10.3180 10.3195 k = 0.2500 0.2500 0.7071 ( 3316 PWs) bands (ev): -17.6209 -17.6209 -17.6193 -17.6192 -16.4336 -16.4317 -16.4302 -16.4302 -6.5613 -6.5613 -6.5563 -6.5563 -4.2068 -4.2017 -4.2017 -4.1993 -2.0936 -2.0842 -2.0758 -2.0758 -1.1266 -1.1266 -1.1170 -1.1130 -0.3345 -0.3344 -0.3344 -0.3244 0.2585 0.2620 0.2687 0.2687 10.2313 10.2358 10.2358 10.2361 10.2668 10.2668 10.2806 10.2806 k = 0.2500 0.2500 0.7071 ( 3316 PWs) bands (ev): -17.6209 -17.6209 -17.6193 -17.6192 -16.4336 -16.4317 -16.4302 -16.4302 -6.5613 -6.5613 -6.5563 -6.5563 -4.2068 -4.2017 -4.2017 -4.1993 -2.0936 -2.0842 -2.0758 -2.0758 -1.1266 -1.1266 -1.1170 -1.1130 -0.3345 -0.3344 -0.3344 -0.3244 0.2585 0.2620 0.2687 0.2687 10.2313 10.2358 10.2358 10.2361 10.2668 10.2668 10.2806 10.2806 k = 0.2578 0.2578 0.6961 ( 3316 PWs) bands (ev): -17.6365 -17.6365 -17.6036 -17.6035 -16.4343 -16.4328 -16.4295 -16.4292 -6.5933 -6.5932 -6.5242 -6.5242 -4.2072 -4.2023 -4.2015 -4.1989 -2.0972 -2.0900 -2.0713 -2.0694 -1.1404 -1.1390 -1.1042 -1.1016 -0.3359 -0.3348 -0.3333 -0.3246 0.2501 0.2521 0.2780 0.2795 10.2147 10.2171 10.2247 10.2252 10.2522 10.2566 10.3194 10.3229 k = 0.2656 0.2656 0.6850 ( 3326 PWs) bands (ev): -17.6520 -17.6519 -17.5878 -17.5878 -16.4357 -16.4344 -16.4281 -16.4276 -6.6261 -6.6259 -6.4913 -6.4912 -4.2080 -4.2034 -4.2011 -4.1984 -2.1045 -2.0987 -2.0616 -2.0586 -1.1598 -1.1581 -1.0877 -1.0855 -0.3400 -0.3369 -0.3304 -0.3238 0.2378 0.2392 0.2929 0.2949 10.1836 10.1870 10.2058 10.2065 10.2494 10.2539 10.3694 10.3741 k = 0.2734 0.2734 0.6740 ( 3318 PWs) bands (ev): -17.6665 -17.6664 -17.5730 -17.5730 -16.4372 -16.4361 -16.4267 -16.4261 -6.6570 -6.6568 -6.4600 -6.4598 -4.2089 -4.2045 -4.2009 -4.1981 -2.1126 -2.1075 -2.0497 -2.0462 -1.1810 -1.1791 -1.0714 -1.0693 -0.3461 -0.3419 -0.3258 -0.3207 0.2249 0.2259 0.3095 0.3119 10.1520 10.1552 10.1868 10.1879 10.2505 10.2548 10.4161 10.4215 k = 0.2812 0.2813 0.6629 ( 3318 PWs) bands (ev): -17.6799 -17.6798 -17.5590 -17.5590 -16.4387 -16.4376 -16.4253 -16.4247 -6.6861 -6.6858 -6.4302 -6.4300 -4.2099 -4.2055 -4.2009 -4.1981 -2.1208 -2.1162 -2.0361 -2.0325 -1.2036 -1.2017 -1.0556 -1.0535 -0.3538 -0.3491 -0.3198 -0.3156 0.2117 0.2123 0.3270 0.3296 10.1220 10.1251 10.1686 10.1699 10.2530 10.2569 10.4579 10.4639 k = 0.2891 0.2891 0.6519 ( 3316 PWs) bands (ev): -17.6923 -17.6922 -17.5459 -17.5459 -16.4402 -16.4392 -16.4240 -16.4235 -6.7131 -6.7127 -6.4022 -6.4019 -4.2108 -4.2065 -4.2010 -4.1983 -2.1288 -2.1244 -2.0214 -2.0177 -1.2274 -1.2254 -1.0405 -1.0384 -0.3627 -0.3578 -0.3126 -0.3092 0.1984 0.1986 0.3449 0.3477 10.0943 10.0973 10.1515 10.1530 10.2562 10.2599 10.4946 10.5010 k = 0.2969 0.2969 0.6408 ( 3318 PWs) bands (ev): -17.7036 -17.7035 -17.5338 -17.5338 -16.4417 -16.4407 -16.4229 -16.4223 -6.7380 -6.7375 -6.3759 -6.3755 -4.2117 -4.2074 -4.2014 -4.1988 -2.1363 -2.1323 -2.0057 -2.0020 -1.2519 -1.2500 -1.0264 -1.0242 -0.3723 -0.3674 -0.3045 -0.3017 0.1848 0.1850 0.3626 0.3655 10.0691 10.0720 10.1356 10.1371 10.2600 10.2634 10.5260 10.5329 k = 0.3047 0.3047 0.6298 ( 3320 PWs) bands (ev): -17.7138 -17.7137 -17.5227 -17.5227 -16.4432 -16.4422 -16.4219 -16.4214 -6.7605 -6.7599 -6.3515 -6.3511 -4.2125 -4.2083 -4.2019 -4.1995 -2.1434 -2.1396 -1.9891 -1.9855 -1.2771 -1.2752 -1.0134 -1.0111 -0.3822 -0.3773 -0.2957 -0.2934 0.1710 0.1716 0.3796 0.3827 10.0465 10.0493 10.1210 10.1226 10.2643 10.2675 10.5523 10.5596 k = 0.3125 0.3125 0.6187 ( 3326 PWs) bands (ev): -17.7230 -17.7228 -17.5126 -17.5125 -16.4446 -16.4436 -16.4211 -16.4207 -6.7807 -6.7800 -6.3291 -6.3285 -4.2132 -4.2090 -4.2025 -4.2003 -2.1500 -2.1463 -1.9719 -1.9684 -1.3025 -1.3007 -1.0018 -0.9993 -0.3919 -0.3872 -0.2864 -0.2848 0.1573 0.1584 0.3956 0.3987 10.0264 10.0292 10.1079 10.1096 10.2691 10.2719 10.5738 10.5815 k = 0.3203 0.3203 0.6077 ( 3323 PWs) bands (ev): -17.7310 -17.7308 -17.5035 -17.5034 -16.4460 -16.4450 -16.4206 -16.4202 -6.7983 -6.7976 -6.3086 -6.3079 -4.2139 -4.2097 -4.2033 -4.2013 -2.1558 -2.1523 -1.9543 -1.9510 -1.3278 -1.3262 -0.9918 -0.9892 -0.4011 -0.3965 -0.2770 -0.2760 0.1439 0.1455 0.4101 0.4134 10.0089 10.0116 10.0964 10.0980 10.2742 10.2768 10.5908 10.5988 k = 0.3281 0.3281 0.5966 ( 3327 PWs) bands (ev): -17.7379 -17.7377 -17.4954 -17.4953 -16.4473 -16.4464 -16.4202 -16.4199 -6.8134 -6.8126 -6.2901 -6.2893 -4.2145 -4.2103 -4.2042 -4.2025 -2.1609 -2.1575 -1.9365 -1.9335 -1.3528 -1.3514 -0.9836 -0.9807 -0.4094 -0.4050 -0.2677 -0.2673 0.1309 0.1331 0.4229 0.4263 9.9941 9.9967 10.0864 10.0881 10.2796 10.2819 10.6039 10.6122 k = 0.3359 0.3359 0.5856 ( 3320 PWs) bands (ev): -17.7436 -17.7434 -17.4884 -17.4882 -16.4486 -16.4477 -16.4201 -16.4199 -6.8259 -6.8250 -6.2738 -6.2729 -4.2150 -4.2109 -4.2051 -4.2037 -2.1652 -2.1619 -1.9189 -1.9161 -1.3769 -1.3758 -0.9774 -0.9743 -0.4164 -0.4123 -0.2591 -0.2589 0.1186 0.1214 0.4336 0.4371 9.9818 9.9844 10.0782 10.0799 10.2851 10.2871 10.6136 10.6220 k = 0.3438 0.3438 0.5745 ( 3315 PWs) bands (ev): -17.7482 -17.7480 -17.4824 -17.4822 -16.4499 -16.4490 -16.4203 -16.4201 -6.8356 -6.8346 -6.2596 -6.2586 -4.2155 -4.2114 -4.2061 -4.2049 -2.1686 -2.1653 -1.9018 -1.8994 -1.3999 -1.3991 -0.9733 -0.9700 -0.4221 -0.4182 -0.2516 -0.2507 0.1072 0.1106 0.4422 0.4458 9.9721 9.9746 10.0717 10.0734 10.2907 10.2923 10.6205 10.6290 k = 0.3516 0.3516 0.5635 ( 3315 PWs) bands (ev): -17.7516 -17.7514 -17.4775 -17.4773 -16.4511 -16.4502 -16.4208 -16.4206 -6.8426 -6.8415 -6.2477 -6.2465 -4.2160 -4.2119 -4.2072 -4.2062 -2.1711 -2.1679 -1.8857 -1.8837 -1.4210 -1.4206 -0.9716 -0.9680 -0.4261 -0.4225 -0.2453 -0.2436 0.0969 0.1010 0.4483 0.4520 9.9650 9.9673 10.0669 10.0686 10.2961 10.2974 10.6249 10.6335 k = 0.3594 0.3594 0.5524 ( 3311 PWs) bands (ev): -17.7538 -17.7536 -17.4738 -17.4735 -16.4523 -16.4515 -16.4215 -16.4214 -6.8468 -6.8456 -6.2380 -6.2367 -4.2165 -4.2124 -4.2083 -4.2076 -2.1725 -2.1694 -1.8711 -1.8696 -1.4399 -1.4398 -0.9722 -0.9683 -0.4284 -0.4250 -0.2403 -0.2379 0.0880 0.0928 0.4519 0.4556 9.9604 9.9626 10.0639 10.0656 10.3013 10.3023 10.6273 10.6359 k = 0.3672 0.3672 0.5414 ( 3316 PWs) bands (ev): -17.7549 -17.7547 -17.4711 -17.4709 -16.4535 -16.4526 -16.4225 -16.4225 -6.8481 -6.8468 -6.2306 -6.2291 -4.2169 -4.2130 -4.2093 -4.2089 -2.1730 -2.1699 -1.8587 -1.8578 -1.4562 -1.4555 -0.9751 -0.9710 -0.4289 -0.4258 -0.2371 -0.2340 0.0808 0.0863 0.4528 0.4567 9.9584 9.9604 10.0627 10.0644 10.3060 10.3066 10.6280 10.6366 k = 0.3750 0.3750 0.5303 ( 3322 PWs) bands (ev): -17.7548 -17.7546 -17.4695 -17.4693 -16.4547 -16.4538 -16.4238 -16.4238 -6.8465 -6.8452 -6.2255 -6.2239 -4.2174 -4.2136 -4.2104 -4.2102 -2.1725 -2.1693 -1.8492 -1.8491 -1.4687 -1.4673 -0.9803 -0.9759 -0.4276 -0.4248 -0.2358 -0.2320 0.0755 0.0817 0.4510 0.4550 9.9587 9.9607 10.0633 10.0650 10.3102 10.3104 10.6272 10.6357 k = 0.3828 0.3828 0.5193 ( 3316 PWs) bands (ev): -17.7535 -17.7532 -17.4691 -17.4688 -16.4557 -16.4549 -16.4255 -16.4254 -6.8421 -6.8407 -6.2227 -6.2210 -4.2180 -4.2143 -4.2115 -4.2114 -2.1708 -2.1677 -1.8439 -1.8433 -1.4767 -1.4745 -0.9876 -0.9830 -0.4248 -0.4221 -0.2367 -0.2323 0.0724 0.0792 0.4465 0.4506 9.9616 9.9634 10.0657 10.0674 10.3135 10.3136 10.6250 10.6335 k = 0.3906 0.3906 0.5082 ( 3311 PWs) bands (ev): -17.7510 -17.7508 -17.4698 -17.4695 -16.4568 -16.4560 -16.4273 -16.4272 -6.8348 -6.8333 -6.2223 -6.2205 -4.2185 -4.2152 -4.2126 -4.2125 -2.1680 -2.1649 -1.8429 -1.8415 -1.4797 -1.4768 -0.9969 -0.9920 -0.4205 -0.4180 -0.2398 -0.2349 0.0715 0.0788 0.4393 0.4435 9.9669 9.9685 10.0698 10.0716 10.3157 10.3161 10.6215 10.6299 k = 0.3984 0.3984 0.4972 ( 3315 PWs) bands (ev): -17.7474 -17.7471 -17.4716 -17.4713 -16.4578 -16.4570 -16.4295 -16.4293 -6.8246 -6.8230 -6.2243 -6.2224 -4.2192 -4.2163 -4.2136 -4.2134 -2.1642 -2.1610 -1.8460 -1.8439 -1.4775 -1.4739 -1.0079 -1.0029 -0.4151 -0.4127 -0.2450 -0.2398 0.0727 0.0804 0.4295 0.4339 9.9746 9.9760 10.0757 10.0775 10.3169 10.3177 10.6165 10.6247 k = 0.4062 0.4063 0.4861 ( 3315 PWs) bands (ev): -17.7425 -17.7422 -17.4746 -17.4742 -16.4588 -16.4580 -16.4318 -16.4316 -6.8116 -6.8100 -6.2287 -6.2266 -4.2199 -4.2176 -4.2147 -4.2143 -2.1592 -2.1560 -1.8529 -1.8503 -1.4704 -1.4663 -1.0203 -1.0152 -0.4089 -0.4064 -0.2523 -0.2467 0.0760 0.0840 0.4172 0.4217 9.9846 9.9858 10.0834 10.0851 10.3170 10.3182 10.6097 10.6177 k = 0.4141 0.4141 0.4751 ( 3320 PWs) bands (ev): -17.7365 -17.7362 -17.4787 -17.4783 -16.4598 -16.4590 -16.4344 -16.4341 -6.7958 -6.7941 -6.2354 -6.2333 -4.2208 -4.2189 -4.2158 -4.2152 -2.1532 -2.1499 -1.8632 -1.8601 -1.4588 -1.4543 -1.0341 -1.0289 -0.4020 -0.3995 -0.2613 -0.2556 0.0811 0.0892 0.4025 0.4072 9.9969 9.9979 10.0927 10.0944 10.3162 10.3176 10.6008 10.6086 k = 0.4219 0.4219 0.4640 ( 3327 PWs) bands (ev): -17.7293 -17.7290 -17.4839 -17.4835 -16.4608 -16.4600 -16.4372 -16.4368 -6.7773 -6.7754 -6.2445 -6.2422 -4.2217 -4.2204 -4.2170 -4.2162 -2.1460 -2.1427 -1.8759 -1.8725 -1.4437 -1.4388 -1.0489 -1.0436 -0.3949 -0.3924 -0.2718 -0.2660 0.0877 0.0959 0.3857 0.3906 10.0115 10.0123 10.1037 10.1054 10.3143 10.3161 10.5893 10.5968 k = 0.4297 0.4297 0.4530 ( 3323 PWs) bands (ev): -17.7210 -17.7207 -17.4903 -17.4899 -16.4617 -16.4609 -16.4401 -16.4397 -6.7560 -6.7541 -6.2559 -6.2536 -4.2228 -4.2219 -4.2183 -4.2173 -2.1377 -2.1345 -1.8903 -1.8868 -1.4256 -1.4206 -1.0645 -1.0592 -0.3879 -0.3853 -0.2834 -0.2776 0.0956 0.1037 0.3671 0.3722 10.0284 10.0289 10.1163 10.1180 10.3114 10.3135 10.5748 10.5820 k = 0.4375 0.4375 0.4419 ( 3326 PWs) bands (ev): -17.7115 -17.7112 -17.4977 -17.4973 -16.4626 -16.4618 -16.4431 -16.4427 -6.7321 -6.7301 -6.2696 -6.2672 -4.2240 -4.2235 -4.2196 -4.2186 -2.1284 -2.1251 -1.9059 -1.9022 -1.4053 -1.4001 -1.0808 -1.0754 -0.3814 -0.3786 -0.2959 -0.2902 0.1044 0.1125 0.3469 0.3522 10.0474 10.0476 10.1304 10.1321 10.3077 10.3101 10.5567 10.5635 k = 0.4453 0.4453 0.4309 ( 3320 PWs) bands (ev): -17.7009 -17.7005 -17.5063 -17.5059 -16.4634 -16.4627 -16.4463 -16.4458 -6.7056 -6.7036 -6.2856 -6.2831 -4.2253 -4.2252 -4.2211 -4.2200 -2.1181 -2.1147 -1.9220 -1.9183 -1.3833 -1.3781 -1.0975 -1.0922 -0.3758 -0.3728 -0.3091 -0.3035 0.1140 0.1220 0.3256 0.3311 10.0684 10.0685 10.1461 10.1478 10.3032 10.3059 10.5343 10.5409 k = 0.4531 0.4531 0.4198 ( 3318 PWs) bands (ev): -17.6891 -17.6887 -17.5160 -17.5155 -16.4643 -16.4635 -16.4495 -16.4490 -6.6767 -6.6745 -6.3038 -6.3013 -4.2270 -4.2269 -4.2228 -4.2216 -2.1068 -2.1034 -1.9382 -1.9344 -1.3602 -1.3550 -1.1145 -1.1092 -0.3715 -0.3683 -0.3225 -0.3171 0.1242 0.1320 0.3036 0.3094 10.0912 10.0914 10.1631 10.1649 10.2982 10.3011 10.5074 10.5135 k = 0.4609 0.4609 0.4088 ( 3316 PWs) bands (ev): -17.6762 -17.6758 -17.5267 -17.5263 -16.4651 -16.4644 -16.4527 -16.4522 -6.6454 -6.6432 -6.3242 -6.3217 -4.2289 -4.2287 -4.2246 -4.2235 -2.0945 -2.0911 -1.9541 -1.9503 -1.3363 -1.3311 -1.1317 -1.1264 -0.3690 -0.3655 -0.3361 -0.3308 0.1347 0.1424 0.2815 0.2876 10.1157 10.1162 10.1815 10.1833 10.2929 10.2961 10.4754 10.4811 k = 0.4688 0.4688 0.3977 ( 3318 PWs) bands (ev): -17.6623 -17.6619 -17.5385 -17.5381 -16.4659 -16.4652 -16.4559 -16.4554 -6.6118 -6.6095 -6.3468 -6.3442 -4.2310 -4.2307 -4.2266 -4.2257 -2.0814 -2.0779 -1.9694 -1.9656 -1.3120 -1.3069 -1.1489 -1.1436 -0.3688 -0.3653 -0.3493 -0.3443 0.1455 0.1530 0.2598 0.2661 10.1415 10.1423 10.2011 10.2029 10.2877 10.2911 10.4382 10.4436 k = 0.4766 0.4766 0.3867 ( 3318 PWs) bands (ev): -17.6472 -17.6468 -17.5514 -17.5509 -16.4667 -16.4660 -16.4591 -16.4586 -6.5761 -6.5737 -6.3714 -6.3688 -4.2333 -4.2330 -4.2289 -4.2281 -2.0675 -2.0640 -1.9837 -1.9799 -1.2876 -1.2825 -1.1659 -1.1608 -0.3715 -0.3687 -0.3613 -0.3574 0.1564 0.1637 0.2393 0.2458 10.1681 10.1692 10.2215 10.2235 10.2833 10.2869 10.3960 10.4011 k = 0.4844 0.4844 0.3757 ( 3326 PWs) bands (ev): -17.6311 -17.6307 -17.5652 -17.5648 -16.4675 -16.4669 -16.4622 -16.4617 -6.5383 -6.5358 -6.3980 -6.3954 -4.2359 -4.2356 -4.2315 -4.2309 -2.0528 -2.0494 -1.9967 -1.9931 -1.2634 -1.2584 -1.1827 -1.1777 -0.3779 -0.3779 -0.3703 -0.3697 0.1672 0.1744 0.2205 0.2272 10.1937 10.1949 10.2418 10.2441 10.2815 10.2851 10.3497 10.3548 k = 0.4922 0.4922 0.3646 ( 3316 PWs) bands (ev): -17.6140 -17.6135 -17.5800 -17.5796 -16.4684 -16.4679 -16.4651 -16.4646 -6.4986 -6.4961 -6.4265 -6.4239 -4.2387 -4.2385 -4.2343 -4.2339 -2.0378 -2.0346 -2.0080 -2.0047 -1.2397 -1.2349 -1.1990 -1.1941 -0.3894 -0.3879 -0.3812 -0.3800 0.1779 0.1845 0.2046 0.2110 10.2145 10.2152 10.2551 10.2579 10.2864 10.2891 10.3069 10.3118 k = 0.5000 0.5000 0.3536 ( 3316 PWs) bands (ev): -17.5964 -17.5964 -17.5948 -17.5948 -16.4696 -16.4696 -16.4672 -16.4672 -6.4581 -6.4581 -6.4534 -6.4534 -4.2419 -4.2419 -4.2374 -4.2374 -2.0251 -2.0251 -2.0118 -2.0118 -1.2188 -1.2188 -1.2080 -1.2080 -0.4008 -0.4008 -0.3930 -0.3930 0.1870 0.1870 0.1989 0.1989 10.2217 10.2217 10.2293 10.2293 10.3041 10.3041 10.3069 10.3069 k = 0.5000 0.5000 0.3536 ( 3316 PWs) bands (ev): -17.5964 -17.5964 -17.5948 -17.5948 -16.4696 -16.4696 -16.4672 -16.4672 -6.4581 -6.4581 -6.4534 -6.4534 -4.2419 -4.2419 -4.2374 -4.2374 -2.0251 -2.0251 -2.0118 -2.0118 -1.2188 -1.2188 -1.2080 -1.2080 -0.4008 -0.4008 -0.3930 -0.3930 0.1870 0.1870 0.1989 0.1989 10.2217 10.2217 10.2293 10.2293 10.3041 10.3041 10.3069 10.3069 k = 0.5000 0.5000 0.3382 ( 3316 PWs) bands (ev): -17.5946 -17.5946 -17.5930 -17.5930 -16.4721 -16.4721 -16.4697 -16.4697 -6.4505 -6.4505 -6.4458 -6.4458 -4.2465 -4.2465 -4.2421 -4.2421 -2.0200 -2.0200 -2.0067 -2.0067 -1.2147 -1.2147 -1.2038 -1.2038 -0.4196 -0.4196 -0.4119 -0.4119 0.1868 0.1868 0.1986 0.1986 10.1835 10.1835 10.1895 10.1895 10.3396 10.3396 10.3413 10.3413 k = 0.5000 0.5000 0.3228 ( 3316 PWs) bands (ev): -17.5929 -17.5929 -17.5913 -17.5913 -16.4747 -16.4747 -16.4723 -16.4723 -6.4430 -6.4430 -6.4383 -6.4383 -4.2508 -4.2508 -4.2464 -4.2464 -2.0139 -2.0139 -2.0007 -2.0007 -1.2117 -1.2117 -1.2008 -1.2008 -0.4398 -0.4398 -0.4323 -0.4323 0.1882 0.1882 0.1997 0.1997 10.1414 10.1414 10.1470 10.1470 10.3798 10.3798 10.3826 10.3826 k = 0.5000 0.5000 0.3074 ( 3324 PWs) bands (ev): -17.5912 -17.5912 -17.5896 -17.5896 -16.4772 -16.4772 -16.4748 -16.4748 -6.4358 -6.4358 -6.4311 -6.4311 -4.2547 -4.2547 -4.2504 -4.2504 -2.0070 -2.0070 -1.9938 -1.9938 -1.2099 -1.2099 -1.1990 -1.1990 -0.4610 -0.4610 -0.4537 -0.4537 0.1910 0.1910 0.2022 0.2022 10.0996 10.0996 10.1049 10.1049 10.4224 10.4224 10.4256 10.4256 k = 0.5000 0.5000 0.2921 ( 3320 PWs) bands (ev): -17.5895 -17.5895 -17.5880 -17.5880 -16.4797 -16.4797 -16.4773 -16.4773 -6.4288 -6.4288 -6.4241 -6.4241 -4.2582 -4.2582 -4.2540 -4.2540 -1.9991 -1.9991 -1.9860 -1.9860 -1.2095 -1.2095 -1.1985 -1.1985 -0.4830 -0.4830 -0.4760 -0.4760 0.1950 0.1950 0.2059 0.2059 10.0589 10.0589 10.0639 10.0639 10.4663 10.4663 10.4698 10.4698 k = 0.5000 0.5000 0.2767 ( 3314 PWs) bands (ev): -17.5879 -17.5879 -17.5863 -17.5863 -16.4821 -16.4821 -16.4798 -16.4798 -6.4220 -6.4220 -6.4174 -6.4174 -4.2614 -4.2614 -4.2572 -4.2572 -1.9904 -1.9904 -1.9773 -1.9773 -1.2104 -1.2104 -1.1993 -1.1993 -0.5054 -0.5054 -0.4988 -0.4988 0.2001 0.2001 0.2105 0.2105 10.0196 10.0196 10.0244 10.0244 10.5111 10.5111 10.5148 10.5148 k = 0.5000 0.5000 0.2613 ( 3320 PWs) bands (ev): -17.5862 -17.5862 -17.5847 -17.5847 -16.4844 -16.4844 -16.4822 -16.4822 -6.4155 -6.4155 -6.4110 -6.4110 -4.2642 -4.2642 -4.2601 -4.2601 -1.9807 -1.9807 -1.9678 -1.9678 -1.2128 -1.2128 -1.2016 -1.2016 -0.5281 -0.5281 -0.5218 -0.5218 0.2060 0.2060 0.2160 0.2160 9.9820 9.9820 9.9865 9.9865 10.5566 10.5566 10.5604 10.5604 k = 0.5000 0.5000 0.2460 ( 3332 PWs) bands (ev): -17.5847 -17.5847 -17.5832 -17.5832 -16.4867 -16.4867 -16.4845 -16.4845 -6.4093 -6.4093 -6.4049 -6.4049 -4.2666 -4.2666 -4.2627 -4.2627 -1.9702 -1.9702 -1.9574 -1.9574 -1.2165 -1.2165 -1.2053 -1.2053 -0.5506 -0.5506 -0.5446 -0.5446 0.2126 0.2126 0.2220 0.2220 9.9460 9.9460 9.9503 9.9503 10.6026 10.6026 10.6064 10.6064 k = 0.5000 0.5000 0.2306 ( 3330 PWs) bands (ev): -17.5831 -17.5831 -17.5817 -17.5817 -16.4889 -16.4889 -16.4868 -16.4868 -6.4034 -6.4034 -6.3992 -6.3992 -4.2686 -4.2686 -4.2649 -4.2649 -1.9589 -1.9589 -1.9463 -1.9463 -1.2218 -1.2218 -1.2105 -1.2105 -0.5727 -0.5727 -0.5671 -0.5671 0.2197 0.2197 0.2286 0.2286 9.9119 9.9119 9.9159 9.9159 10.6487 10.6487 10.6525 10.6525 k = 0.5000 0.5000 0.2152 ( 3322 PWs) bands (ev): -17.5816 -17.5816 -17.5803 -17.5803 -16.4909 -16.4909 -16.4890 -16.4890 -6.3978 -6.3978 -6.3938 -6.3938 -4.2703 -4.2703 -4.2667 -4.2667 -1.9469 -1.9469 -1.9344 -1.9344 -1.2285 -1.2285 -1.2172 -1.2172 -0.5942 -0.5942 -0.5889 -0.5889 0.2272 0.2272 0.2355 0.2355 9.8797 9.8797 9.8835 9.8835 10.6948 10.6948 10.6986 10.6986 k = 0.5000 0.5000 0.1998 ( 3330 PWs) bands (ev): -17.5802 -17.5802 -17.5789 -17.5789 -16.4929 -16.4929 -16.4910 -16.4910 -6.3926 -6.3926 -6.3888 -6.3888 -4.2717 -4.2717 -4.2683 -4.2683 -1.9341 -1.9341 -1.9218 -1.9218 -1.2366 -1.2366 -1.2254 -1.2254 -0.6147 -0.6147 -0.6098 -0.6098 0.2347 0.2347 0.2425 0.2425 9.8495 9.8495 9.8530 9.8530 10.7406 10.7406 10.7444 10.7444 k = 0.5000 0.5000 0.1845 ( 3330 PWs) bands (ev): -17.5789 -17.5789 -17.5777 -17.5777 -16.4948 -16.4948 -16.4930 -16.4930 -6.3877 -6.3877 -6.3841 -6.3841 -4.2728 -4.2728 -4.2696 -4.2696 -1.9207 -1.9207 -1.9087 -1.9087 -1.2461 -1.2461 -1.2349 -1.2349 -0.6340 -0.6340 -0.6295 -0.6295 0.2423 0.2423 0.2495 0.2495 9.8213 9.8213 9.8245 9.8245 10.7859 10.7859 10.7895 10.7895 k = 0.5000 0.5000 0.1691 ( 3332 PWs) bands (ev): -17.5776 -17.5776 -17.5765 -17.5765 -16.4965 -16.4965 -16.4949 -16.4949 -6.3833 -6.3833 -6.3799 -6.3799 -4.2736 -4.2736 -4.2706 -4.2706 -1.9067 -1.9067 -1.8951 -1.8951 -1.2568 -1.2568 -1.2458 -1.2458 -0.6521 -0.6521 -0.6479 -0.6479 0.2498 0.2498 0.2564 0.2564 9.7952 9.7952 9.7981 9.7981 10.8302 10.8302 10.8337 10.8337 k = 0.5000 0.5000 0.1537 ( 3332 PWs) bands (ev): -17.5764 -17.5764 -17.5754 -17.5754 -16.4981 -16.4981 -16.4966 -16.4966 -6.3792 -6.3792 -6.3760 -6.3760 -4.2742 -4.2742 -4.2714 -4.2714 -1.8924 -1.8924 -1.8811 -1.8811 -1.2686 -1.2686 -1.2577 -1.2577 -0.6686 -0.6686 -0.6648 -0.6648 0.2571 0.2571 0.2630 0.2630 9.7712 9.7712 9.7738 9.7738 10.8732 10.8732 10.8766 10.8766 k = 0.5000 0.5000 0.1383 ( 3336 PWs) bands (ev): -17.5753 -17.5753 -17.5744 -17.5744 -16.4996 -16.4996 -16.4982 -16.4982 -6.3754 -6.3754 -6.3725 -6.3725 -4.2746 -4.2746 -4.2720 -4.2720 -1.8779 -1.8779 -1.8671 -1.8671 -1.2811 -1.2811 -1.2707 -1.2707 -0.6836 -0.6836 -0.6801 -0.6801 0.2640 0.2640 0.2694 0.2694 9.7493 9.7493 9.7517 9.7517 10.9145 10.9145 10.9178 10.9178 k = 0.5000 0.5000 0.1230 ( 3332 PWs) bands (ev): -17.5743 -17.5743 -17.5735 -17.5735 -16.5009 -16.5009 -16.4997 -16.4997 -6.3721 -6.3721 -6.3695 -6.3695 -4.2748 -4.2748 -4.2725 -4.2725 -1.8633 -1.8633 -1.8530 -1.8530 -1.2943 -1.2943 -1.2842 -1.2842 -0.6969 -0.6969 -0.6937 -0.6937 0.2704 0.2704 0.2752 0.2752 9.7297 9.7297 9.7319 9.7319 10.9537 10.9537 10.9567 10.9567 k = 0.5000 0.5000 0.1076 ( 3330 PWs) bands (ev): -17.5734 -17.5734 -17.5726 -17.5726 -16.5021 -16.5021 -16.5010 -16.5010 -6.3691 -6.3691 -6.3668 -6.3668 -4.2749 -4.2749 -4.2728 -4.2728 -1.8489 -1.8489 -1.8394 -1.8394 -1.3075 -1.3075 -1.2981 -1.2981 -0.7085 -0.7085 -0.7057 -0.7057 0.2764 0.2764 0.2806 0.2806 9.7123 9.7123 9.7142 9.7142 10.9902 10.9902 10.9930 10.9930 k = 0.5000 0.5000 0.0922 ( 3330 PWs) bands (ev): -17.5726 -17.5726 -17.5719 -17.5719 -16.5031 -16.5031 -16.5021 -16.5021 -6.3665 -6.3665 -6.3645 -6.3645 -4.2749 -4.2749 -4.2731 -4.2731 -1.8351 -1.8351 -1.8263 -1.8263 -1.3205 -1.3205 -1.3118 -1.3118 -0.7185 -0.7185 -0.7161 -0.7161 0.2817 0.2817 0.2853 0.2853 9.6972 9.6972 9.6988 9.6988 11.0235 11.0235 11.0260 11.0260 k = 0.5000 0.5000 0.0769 ( 3328 PWs) bands (ev): -17.5719 -17.5719 -17.5714 -17.5714 -16.5040 -16.5040 -16.5031 -16.5031 -6.3643 -6.3643 -6.3626 -6.3626 -4.2748 -4.2748 -4.2733 -4.2733 -1.8221 -1.8221 -1.8143 -1.8143 -1.3327 -1.3327 -1.3250 -1.3250 -0.7268 -0.7268 -0.7248 -0.7248 0.2864 0.2864 0.2894 0.2894 9.6844 9.6844 9.6858 9.6858 11.0531 11.0531 11.0553 11.0553 k = 0.5000 0.5000 0.0615 ( 3324 PWs) bands (ev): -17.5713 -17.5713 -17.5709 -17.5709 -16.5046 -16.5046 -16.5040 -16.5040 -6.3624 -6.3624 -6.3610 -6.3610 -4.2746 -4.2746 -4.2734 -4.2734 -1.8104 -1.8104 -1.8038 -1.8038 -1.3436 -1.3436 -1.3370 -1.3370 -0.7334 -0.7334 -0.7318 -0.7318 0.2903 0.2903 0.2927 0.2927 9.6740 9.6740 9.6750 9.6750 11.0783 11.0783 11.0801 11.0801 k = 0.5000 0.5000 0.0461 ( 3318 PWs) bands (ev): -17.5709 -17.5709 -17.5705 -17.5705 -16.5052 -16.5052 -16.5047 -16.5047 -6.3609 -6.3609 -6.3599 -6.3599 -4.2744 -4.2744 -4.2735 -4.2735 -1.8004 -1.8004 -1.7952 -1.7952 -1.3527 -1.3527 -1.3475 -1.3475 -0.7385 -0.7385 -0.7373 -0.7373 0.2935 0.2935 0.2953 0.2953 9.6658 9.6658 9.6666 9.6666 11.0987 11.0987 11.1001 11.1001 k = 0.5000 0.5000 0.0307 ( 3314 PWs) bands (ev): -17.5705 -17.5705 -17.5703 -17.5703 -16.5055 -16.5055 -16.5052 -16.5052 -6.3598 -6.3598 -6.3591 -6.3591 -4.2742 -4.2742 -4.2736 -4.2736 -1.7925 -1.7925 -1.7889 -1.7889 -1.3593 -1.3593 -1.3557 -1.3557 -0.7421 -0.7421 -0.7413 -0.7413 0.2959 0.2959 0.2971 0.2971 9.6600 9.6600 9.6606 9.6606 11.1137 11.1137 11.1147 11.1147 k = 0.5000 0.5000 0.0154 ( 3306 PWs) bands (ev): -17.5703 -17.5703 -17.5702 -17.5702 -16.5057 -16.5057 -16.5055 -16.5055 -6.3591 -6.3591 -6.3587 -6.3587 -4.2741 -4.2741 -4.2738 -4.2738 -1.7872 -1.7872 -1.7854 -1.7854 -1.3631 -1.3631 -1.3612 -1.3612 -0.7441 -0.7441 -0.7437 -0.7437 0.2974 0.2974 0.2980 0.2980 9.6566 9.6566 9.6569 9.6569 11.1230 11.1230 11.1235 11.1235 k = 0.5000 0.5000 0.0000 ( 3306 PWs) bands (ev): -17.5702 -17.5702 -17.5702 -17.5702 -16.5057 -16.5057 -16.5057 -16.5057 -6.3587 -6.3587 -6.3587 -6.3587 -4.2739 -4.2739 -4.2739 -4.2739 -1.7848 -1.7848 -1.7848 -1.7848 -1.3637 -1.3637 -1.3637 -1.3637 -0.7447 -0.7447 -0.7447 -0.7447 0.2982 0.2982 0.2982 0.2982 9.6556 9.6556 9.6556 9.6556 11.1263 11.1263 11.1263 11.1263 k = 0.0000 0.0000 0.7071 ( 3306 PWs) bands (ev): -17.6206 -17.6206 -17.6206 -17.6206 -16.4312 -16.4312 -16.4299 -16.4299 -6.5802 -6.5802 -6.5797 -6.5797 -4.1386 -4.1386 -4.1350 -4.1350 -1.9967 -1.9967 -1.9850 -1.9850 -1.4068 -1.4068 -1.3990 -1.3990 -0.3003 -0.3003 -0.2972 -0.2972 0.3840 0.3840 0.3844 0.3844 9.7792 9.7792 9.7839 9.7839 11.0467 11.0467 11.0483 11.0483 k = 0.0109 0.0109 0.7071 ( 3306 PWs) bands (ev): -17.6207 -17.6206 -17.6206 -17.6205 -16.4313 -16.4311 -16.4300 -16.4298 -6.5803 -6.5799 -6.5797 -6.5794 -4.1391 -4.1388 -4.1354 -4.1352 -1.9981 -1.9965 -1.9861 -1.9851 -1.4058 -1.4049 -1.3983 -1.3968 -0.3004 -0.3004 -0.2975 -0.2971 0.3833 0.3836 0.3837 0.3842 9.7800 9.7804 9.7848 9.7849 11.0439 11.0442 11.0447 11.0465 k = 0.0217 0.0217 0.7071 ( 3314 PWs) bands (ev): -17.6207 -17.6207 -17.6205 -17.6204 -16.4314 -16.4310 -16.4300 -16.4298 -6.5802 -6.5796 -6.5795 -6.5790 -4.1402 -4.1395 -4.1364 -4.1361 -2.0007 -1.9974 -1.9885 -1.9864 -1.4020 -1.4002 -1.3950 -1.3920 -0.3008 -0.3007 -0.2980 -0.2972 0.3816 0.3818 0.3824 0.3829 9.7826 9.7833 9.7876 9.7878 11.0357 11.0359 11.0364 11.0393 k = 0.0326 0.0326 0.7071 ( 3318 PWs) bands (ev): -17.6208 -17.6207 -17.6204 -17.6204 -16.4316 -16.4309 -16.4301 -16.4298 -6.5798 -6.5793 -6.5788 -6.5783 -4.1419 -4.1409 -4.1380 -4.1375 -2.0042 -1.9994 -1.9920 -1.9889 -1.3956 -1.3929 -1.3890 -1.3846 -0.3014 -0.3012 -0.2987 -0.2975 0.3789 0.3790 0.3800 0.3806 9.7870 9.7882 9.7922 9.7925 11.0215 11.0226 11.0235 11.0267 k = 0.0435 0.0435 0.7071 ( 3324 PWs) bands (ev): -17.6208 -17.6208 -17.6204 -17.6203 -16.4317 -16.4309 -16.4302 -16.4297 -6.5794 -6.5788 -6.5780 -6.5775 -4.1441 -4.1428 -4.1402 -4.1395 -2.0087 -2.0024 -1.9964 -1.9924 -1.3865 -1.3830 -1.3805 -1.3748 -0.3022 -0.3019 -0.2997 -0.2980 0.3751 0.3752 0.3767 0.3773 9.7934 9.7949 9.7987 9.7991 11.0023 11.0044 11.0055 11.0091 k = 0.0543 0.0543 0.7071 ( 3328 PWs) bands (ev): -17.6208 -17.6208 -17.6203 -17.6202 -16.4318 -16.4308 -16.4303 -16.4297 -6.5787 -6.5781 -6.5770 -6.5766 -4.1469 -4.1453 -4.1428 -4.1420 -2.0138 -2.0062 -2.0017 -1.9969 -1.3752 -1.3709 -1.3697 -1.3628 -0.3032 -0.3029 -0.3008 -0.2986 0.3704 0.3706 0.3725 0.3731 9.8016 9.8035 9.8070 9.8075 10.9785 10.9815 10.9829 10.9866 k = 0.0652 0.0652 0.7071 ( 3330 PWs) bands (ev): -17.6209 -17.6208 -17.6202 -17.6201 -16.4320 -16.4307 -16.4304 -16.4297 -6.5779 -6.5773 -6.5758 -6.5754 -4.1501 -4.1482 -4.1460 -4.1450 -2.0196 -2.0107 -2.0076 -2.0020 -1.3618 -1.3569 -1.3569 -1.3489 -0.3044 -0.3040 -0.3021 -0.2995 0.3648 0.3652 0.3674 0.3681 9.8116 9.8139 9.8172 9.8178 10.9504 10.9543 10.9559 10.9597 k = 0.0761 0.0761 0.7071 ( 3330 PWs) bands (ev): -17.6209 -17.6208 -17.6201 -17.6201 -16.4321 -16.4307 -16.4305 -16.4297 -6.5769 -6.5764 -6.5746 -6.5742 -4.1538 -4.1516 -4.1495 -4.1484 -2.0258 -2.0158 -2.0140 -2.0077 -1.3467 -1.3423 -1.3412 -1.3334 -0.3058 -0.3054 -0.3036 -0.3005 0.3585 0.3591 0.3616 0.3623 9.8235 9.8262 9.8292 9.8299 10.9186 10.9233 10.9250 10.9288 k = 0.0870 0.0870 0.7071 ( 3332 PWs) bands (ev): -17.6209 -17.6209 -17.6201 -17.6200 -16.4322 -16.4306 -16.4306 -16.4297 -6.5759 -6.5753 -6.5732 -6.5728 -4.1578 -4.1553 -4.1534 -4.1522 -2.0322 -2.0213 -2.0206 -2.0138 -1.3302 -1.3264 -1.3241 -1.3166 -0.3074 -0.3069 -0.3053 -0.3018 0.3514 0.3522 0.3551 0.3558 9.8372 9.8402 9.8430 9.8439 10.8834 10.8889 10.8908 10.8944 k = 0.0978 0.0978 0.7071 ( 3336 PWs) bands (ev): -17.6209 -17.6209 -17.6200 -17.6199 -16.4324 -16.4307 -16.4306 -16.4297 -6.5747 -6.5741 -6.5717 -6.5714 -4.1620 -4.1593 -4.1576 -4.1562 -2.0388 -2.0274 -2.0269 -2.0201 -1.3125 -1.3093 -1.3060 -1.2988 -0.3092 -0.3087 -0.3071 -0.3032 0.3438 0.3448 0.3481 0.3488 9.8527 9.8561 9.8587 9.8597 10.8456 10.8516 10.8537 10.8572 k = 0.1087 0.1087 0.7071 ( 3332 PWs) bands (ev): -17.6209 -17.6209 -17.6199 -17.6198 -16.4325 -16.4308 -16.4306 -16.4298 -6.5734 -6.5729 -6.5702 -6.5699 -4.1665 -4.1635 -4.1620 -4.1605 -2.0453 -2.0342 -2.0327 -2.0264 -1.2942 -1.2913 -1.2872 -1.2802 -0.3112 -0.3106 -0.3092 -0.3047 0.3358 0.3370 0.3406 0.3413 9.8700 9.8738 9.8762 9.8772 10.8055 10.8120 10.8142 10.8175 k = 0.1196 0.1196 0.7071 ( 3332 PWs) bands (ev): -17.6209 -17.6209 -17.6198 -17.6197 -16.4327 -16.4309 -16.4305 -16.4298 -6.5721 -6.5716 -6.5686 -6.5683 -4.1711 -4.1678 -4.1665 -4.1648 -2.0517 -2.0408 -2.0384 -2.0327 -1.2753 -1.2730 -1.2680 -1.2613 -0.3133 -0.3127 -0.3114 -0.3064 0.3275 0.3289 0.3329 0.3335 9.8891 9.8932 9.8954 9.8966 10.7637 10.7706 10.7729 10.7761 k = 0.1304 0.1304 0.7071 ( 3330 PWs) bands (ev): -17.6209 -17.6209 -17.6198 -17.6197 -16.4328 -16.4311 -16.4305 -16.4298 -6.5708 -6.5703 -6.5670 -6.5668 -4.1757 -4.1722 -4.1710 -4.1693 -2.0578 -2.0471 -2.0439 -2.0388 -1.2564 -1.2544 -1.2487 -1.2424 -0.3155 -0.3149 -0.3137 -0.3082 0.3190 0.3207 0.3250 0.3256 9.9099 9.9144 9.9164 9.9177 10.7206 10.7279 10.7302 10.7332 k = 0.1413 0.1413 0.7071 ( 3330 PWs) bands (ev): -17.6209 -17.6209 -17.6197 -17.6196 -16.4329 -16.4312 -16.4305 -16.4299 -6.5694 -6.5690 -6.5654 -6.5653 -4.1802 -4.1765 -4.1754 -4.1736 -2.0637 -2.0532 -2.0492 -2.0446 -1.2377 -1.2361 -1.2297 -1.2237 -0.3179 -0.3173 -0.3162 -0.3102 0.3105 0.3124 0.3170 0.3176 9.9325 9.9373 9.9391 9.9405 10.6767 10.6841 10.6865 10.6894 k = 0.1522 0.1522 0.7071 ( 3322 PWs) bands (ev): -17.6209 -17.6209 -17.6196 -17.6195 -16.4330 -16.4313 -16.4304 -16.4299 -6.5681 -6.5677 -6.5639 -6.5638 -4.1846 -4.1807 -4.1798 -4.1779 -2.0691 -2.0588 -2.0541 -2.0500 -1.2195 -1.2182 -1.2112 -1.2055 -0.3203 -0.3197 -0.3187 -0.3121 0.3021 0.3043 0.3093 0.3098 9.9568 9.9619 9.9635 9.9650 10.6322 10.6399 10.6423 10.6450 k = 0.1630 0.1630 0.7071 ( 3330 PWs) bands (ev): -17.6209 -17.6209 -17.6195 -17.6194 -16.4331 -16.4313 -16.4304 -16.4299 -6.5669 -6.5665 -6.5625 -6.5624 -4.1888 -4.1847 -4.1839 -4.1819 -2.0741 -2.0639 -2.0586 -2.0551 -1.2022 -1.2012 -1.1936 -1.1882 -0.3227 -0.3222 -0.3213 -0.3142 0.2941 0.2965 0.3018 0.3022 9.9828 9.9882 9.9896 9.9912 10.5875 10.5953 10.5977 10.6003 k = 0.1739 0.1739 0.7071 ( 3332 PWs) bands (ev): -17.6209 -17.6209 -17.6195 -17.6194 -16.4332 -16.4314 -16.4304 -16.4300 -6.5657 -6.5654 -6.5611 -6.5610 -4.1927 -4.1884 -4.1877 -4.1857 -2.0785 -2.0686 -2.0627 -2.0596 -1.1860 -1.1852 -1.1772 -1.1721 -0.3251 -0.3246 -0.3238 -0.3162 0.2865 0.2892 0.2947 0.2951 10.0104 10.0161 10.0174 10.0190 10.5429 10.5508 10.5532 10.5557 k = 0.1848 0.1848 0.7071 ( 3320 PWs) bands (ev): -17.6209 -17.6209 -17.6194 -17.6193 -16.4333 -16.4315 -16.4304 -16.4300 -6.5646 -6.5644 -6.5599 -6.5598 -4.1963 -4.1918 -4.1912 -4.1891 -2.0824 -2.0726 -2.0663 -2.0637 -1.1712 -1.1707 -1.1623 -1.1574 -0.3273 -0.3268 -0.3261 -0.3181 0.2796 0.2825 0.2883 0.2886 10.0396 10.0455 10.0467 10.0485 10.4986 10.5065 10.5090 10.5113 k = 0.1957 0.1957 0.7071 ( 3314 PWs) bands (ev): -17.6209 -17.6209 -17.6194 -17.6193 -16.4334 -16.4316 -16.4304 -16.4301 -6.5637 -6.5634 -6.5588 -6.5588 -4.1994 -4.1947 -4.1942 -4.1921 -2.0858 -2.0761 -2.0693 -2.0672 -1.1582 -1.1578 -1.1491 -1.1444 -0.3294 -0.3290 -0.3284 -0.3198 0.2735 0.2765 0.2826 0.2829 10.0704 10.0765 10.0776 10.0794 10.4548 10.4628 10.4653 10.4675 k = 0.2065 0.2065 0.7071 ( 3320 PWs) bands (ev): -17.6209 -17.6209 -17.6194 -17.6193 -16.4335 -16.4316 -16.4303 -16.4301 -6.5629 -6.5627 -6.5579 -6.5579 -4.2020 -4.1972 -4.1968 -4.1946 -2.0886 -2.0790 -2.0718 -2.0701 -1.1472 -1.1469 -1.1379 -1.1334 -0.3312 -0.3308 -0.3303 -0.3214 0.2682 0.2715 0.2777 0.2779 10.1027 10.1088 10.1100 10.1117 10.4117 10.4197 10.4223 10.4244 k = 0.2174 0.2174 0.7071 ( 3324 PWs) bands (ev): -17.6209 -17.6209 -17.6193 -17.6192 -16.4335 -16.4317 -16.4303 -16.4301 -6.5622 -6.5621 -6.5572 -6.5572 -4.2041 -4.1992 -4.1989 -4.1966 -2.0908 -2.0813 -2.0737 -2.0724 -1.1383 -1.1382 -1.1289 -1.1246 -0.3326 -0.3324 -0.3320 -0.3227 0.2640 0.2674 0.2738 0.2740 10.1364 10.1424 10.1438 10.1454 10.3696 10.3774 10.3803 10.3823 k = 0.2283 0.2283 0.7071 ( 3316 PWs) bands (ev): -17.6209 -17.6209 -17.6193 -17.6192 -16.4336 -16.4317 -16.4303 -16.4302 -6.5617 -6.5616 -6.5567 -6.5567 -4.2056 -4.2006 -4.2004 -4.1981 -2.0923 -2.0829 -2.0750 -2.0742 -1.1319 -1.1318 -1.1224 -1.1182 -0.3337 -0.3335 -0.3332 -0.3236 0.2610 0.2644 0.2710 0.2711 10.1713 10.1768 10.1787 10.1800 10.3286 10.3364 10.3399 10.3416 k = 0.2391 0.2391 0.7071 ( 3316 PWs) bands (ev): -17.6209 -17.6209 -17.6193 -17.6192 -16.4336 -16.4317 -16.4303 -16.4302 -6.5614 -6.5614 -6.5564 -6.5564 -4.2065 -4.2014 -4.2014 -4.1990 -2.0933 -2.0839 -2.0757 -2.0753 -1.1279 -1.1279 -1.1184 -1.1143 -0.3343 -0.3342 -0.3340 -0.3242 0.2591 0.2626 0.2692 0.2693 10.2068 10.2105 10.2139 10.2142 10.2898 10.2971 10.3026 10.3038 k = 0.2500 0.2500 0.7071 ( 3316 PWs) bands (ev): -17.6209 -17.6209 -17.6193 -17.6192 -16.4336 -16.4317 -16.4302 -16.4302 -6.5613 -6.5613 -6.5563 -6.5563 -4.2068 -4.2017 -4.2017 -4.1993 -2.0936 -2.0842 -2.0758 -2.0758 -1.1266 -1.1266 -1.1170 -1.1130 -0.3345 -0.3344 -0.3344 -0.3244 0.2585 0.2620 0.2687 0.2687 10.2313 10.2358 10.2358 10.2361 10.2668 10.2668 10.2806 10.2806 Writing output data file SiO2.save init_run : 0.19s CPU 0.44s WALL ( 1 calls) electrons : 309.77s CPU 312.84s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.04s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 309.76s CPU 312.82s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.04s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.03s WALL ( 1 calls) newd : 0.03s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.02s WALL ( 340 calls) cegterg : 295.56s CPU 298.20s WALL ( 779 calls) Called by sum_band: Called by *egterg: h_psi : 204.81s CPU 212.12s WALL ( 14097 calls) s_psi : 4.81s CPU 5.20s WALL ( 14097 calls) g_psi : 0.29s CPU 0.37s WALL ( 12978 calls) cdiaghg : 71.54s CPU 66.59s WALL ( 13318 calls) cegterg:over : 10.43s CPU 10.67s WALL ( 12978 calls) cegterg:upda : 2.56s CPU 5.31s WALL ( 12978 calls) cegterg:last : 2.54s CPU 3.47s WALL ( 2271 calls) Called by h_psi: h_psi:vloc : 197.69s CPU 202.09s WALL ( 14097 calls) h_psi:vnl : 7.06s CPU 9.79s WALL ( 14097 calls) add_vuspsi : 3.14s CPU 3.86s WALL ( 14097 calls) General routines calbec : 3.90s CPU 5.90s WALL ( 14097 calls) fft : 0.02s CPU 0.05s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 194.95s CPU 193.79s WALL ( 1125352 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.02s CPU 0.13s WALL ( 680 calls) Parallel routines fft_scatter : 171.70s CPU 123.70s WALL ( 1125375 calls) PWSCF : 5m27.28s CPU 5m41.77s WALL This run was terminated on: 16:33:44 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=