Program PWSCF v.5.1.1 starts on 13Oct2015 at 14:36:39 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./ZnSO4.save/ file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized 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 42 24 7 1278 560 87 Max 43 25 8 1284 574 91 Sum 2053 1189 349 61527 27221 4279 bravais-lattice index = 14 lattice parameter (alat) = 9.5888 a.u. unit-cell volume = 623.4244 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 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)= 9.588844 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 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 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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. # 3 for Zn read from file: /home/autes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) O 6.00 15.99940 O( 1.00) Zn 12.00 65.40900 Zn( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 2C3 2 3 3s_v 4 5 -6 3s_v 6 -4 -5 -E -1 -2C3 -2 -3 Cartesian axes number of k points= 294 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 2) = ( 0.0113636 -0.0065608 0.0092784), wk = 0.0034014 k( 3) = ( 0.0227273 -0.0131216 0.0185567), wk = 0.0034014 k( 4) = ( 0.0340909 -0.0196824 0.0278351), wk = 0.0034014 k( 5) = ( 0.0454546 -0.0262432 0.0371135), wk = 0.0034014 k( 6) = ( 0.0568182 -0.0328040 0.0463918), wk = 0.0034014 k( 7) = ( 0.0681818 -0.0393648 0.0556702), wk = 0.0034014 k( 8) = ( 0.0795455 -0.0459256 0.0649486), wk = 0.0034014 k( 9) = ( 0.0909091 -0.0524864 0.0742270), wk = 0.0034014 k( 10) = ( 0.1022727 -0.0590472 0.0835053), wk = 0.0034014 k( 11) = ( 0.1136364 -0.0656080 0.0927837), wk = 0.0034014 k( 12) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0034014 k( 13) = ( 0.1363636 -0.0787296 0.1113404), wk = 0.0034014 k( 14) = ( 0.1477273 -0.0852904 0.1206188), wk = 0.0034014 k( 15) = ( 0.1590909 -0.0918512 0.1298972), wk = 0.0034014 k( 16) = ( 0.1704546 -0.0984120 0.1391756), wk = 0.0034014 k( 17) = ( 0.1818182 -0.1049728 0.1484539), wk = 0.0034014 k( 18) = ( 0.1931818 -0.1115336 0.1577323), wk = 0.0034014 k( 19) = ( 0.2045454 -0.1180944 0.1670107), wk = 0.0034014 k( 20) = ( 0.2159091 -0.1246552 0.1762890), wk = 0.0034014 k( 21) = ( 0.2272727 -0.1312160 0.1855674), wk = 0.0034014 k( 22) = ( 0.2386364 -0.1377768 0.1948458), wk = 0.0034014 k( 23) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0034014 k( 24) = ( 0.2613636 -0.1508984 0.2134025), wk = 0.0034014 k( 25) = ( 0.2727273 -0.1574592 0.2226809), wk = 0.0034014 k( 26) = ( 0.2840909 -0.1640200 0.2319593), wk = 0.0034014 k( 27) = ( 0.2954545 -0.1705808 0.2412376), wk = 0.0034014 k( 28) = ( 0.3068182 -0.1771416 0.2505160), wk = 0.0034014 k( 29) = ( 0.3181818 -0.1837024 0.2597944), wk = 0.0034014 k( 30) = ( 0.3295455 -0.1902632 0.2690727), wk = 0.0034014 k( 31) = ( 0.3409091 -0.1968240 0.2783511), wk = 0.0034014 k( 32) = ( 0.3522727 -0.2033848 0.2876295), wk = 0.0034014 k( 33) = ( 0.3636364 -0.2099456 0.2969078), wk = 0.0034014 k( 34) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0034014 k( 35) = ( 0.3863636 -0.2230672 0.3154646), wk = 0.0034014 k( 36) = ( 0.3977273 -0.2296279 0.3247430), wk = 0.0034014 k( 37) = ( 0.4090909 -0.2361887 0.3340213), wk = 0.0034014 k( 38) = ( 0.4204545 -0.2427495 0.3432997), wk = 0.0034014 k( 39) = ( 0.4318182 -0.2493103 0.3525781), wk = 0.0034014 k( 40) = ( 0.4431818 -0.2558711 0.3618564), wk = 0.0034014 k( 41) = ( 0.4545455 -0.2624319 0.3711348), wk = 0.0034014 k( 42) = ( 0.4659091 -0.2689927 0.3804132), wk = 0.0034014 k( 43) = ( 0.4772727 -0.2755535 0.3896916), wk = 0.0034014 k( 44) = ( 0.4886364 -0.2821143 0.3989699), wk = 0.0034014 k( 45) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0034014 k( 46) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0034014 k( 47) = ( 0.5000000 -0.2755535 0.4175267), wk = 0.0034014 k( 48) = ( 0.5000000 -0.2624319 0.4268050), wk = 0.0034014 k( 49) = ( 0.5000000 -0.2493103 0.4360834), wk = 0.0034014 k( 50) = ( 0.5000000 -0.2361887 0.4453618), wk = 0.0034014 k( 51) = ( 0.5000000 -0.2230672 0.4546401), wk = 0.0034014 k( 52) = ( 0.5000000 -0.2099456 0.4639185), wk = 0.0034014 k( 53) = ( 0.5000000 -0.1968240 0.4731969), wk = 0.0034014 k( 54) = ( 0.5000000 -0.1837024 0.4824753), wk = 0.0034014 k( 55) = ( 0.5000000 -0.1705808 0.4917536), wk = 0.0034014 k( 56) = ( 0.5000000 -0.1574592 0.5010320), wk = 0.0034014 k( 57) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0034014 k( 58) = ( 0.5000000 -0.1312160 0.5195887), wk = 0.0034014 k( 59) = ( 0.5000000 -0.1180944 0.5288671), wk = 0.0034014 k( 60) = ( 0.5000000 -0.1049728 0.5381455), wk = 0.0034014 k( 61) = ( 0.5000000 -0.0918512 0.5474238), wk = 0.0034014 k( 62) = ( 0.5000000 -0.0787296 0.5567022), wk = 0.0034014 k( 63) = ( 0.5000000 -0.0656080 0.5659806), wk = 0.0034014 k( 64) = ( 0.5000000 -0.0524864 0.5752590), wk = 0.0034014 k( 65) = ( 0.5000000 -0.0393648 0.5845373), wk = 0.0034014 k( 66) = ( 0.5000000 -0.0262432 0.5938157), wk = 0.0034014 k( 67) = ( 0.5000000 -0.0131216 0.6030941), wk = 0.0034014 k( 68) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0034014 k( 69) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0034014 k( 70) = ( 0.4921875 0.0135316 0.6123724), wk = 0.0034014 k( 71) = ( 0.4843750 0.0270633 0.6123724), wk = 0.0034014 k( 72) = ( 0.4765625 0.0405949 0.6123724), wk = 0.0034014 k( 73) = ( 0.4687500 0.0541266 0.6123724), wk = 0.0034014 k( 74) = ( 0.4609375 0.0676582 0.6123724), wk = 0.0034014 k( 75) = ( 0.4531250 0.0811899 0.6123724), wk = 0.0034014 k( 76) = ( 0.4453125 0.0947215 0.6123724), wk = 0.0034014 k( 77) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0034014 k( 78) = ( 0.4296875 0.1217848 0.6123724), wk = 0.0034014 k( 79) = ( 0.4218750 0.1353165 0.6123724), wk = 0.0034014 k( 80) = ( 0.4140625 0.1488481 0.6123724), wk = 0.0034014 k( 81) = ( 0.4062500 0.1623798 0.6123724), wk = 0.0034014 k( 82) = ( 0.3984375 0.1759114 0.6123724), wk = 0.0034014 k( 83) = ( 0.3906250 0.1894431 0.6123724), wk = 0.0034014 k( 84) = ( 0.3828125 0.2029747 0.6123724), wk = 0.0034014 k( 85) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0034014 k( 86) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0034014 k( 87) = ( 0.3670213 0.2118998 0.5993432), wk = 0.0034014 k( 88) = ( 0.3590426 0.2072933 0.5863140), wk = 0.0034014 k( 89) = ( 0.3510638 0.2026868 0.5732848), wk = 0.0034014 k( 90) = ( 0.3430851 0.1980803 0.5602556), wk = 0.0034014 k( 91) = ( 0.3351064 0.1934738 0.5472264), wk = 0.0034014 k( 92) = ( 0.3271277 0.1888672 0.5341972), wk = 0.0034014 k( 93) = ( 0.3191489 0.1842607 0.5211680), wk = 0.0034014 k( 94) = ( 0.3111702 0.1796542 0.5081388), wk = 0.0034014 k( 95) = ( 0.3031915 0.1750477 0.4951096), wk = 0.0034014 k( 96) = ( 0.2952128 0.1704412 0.4820804), wk = 0.0034014 k( 97) = ( 0.2872340 0.1658347 0.4690512), wk = 0.0034014 k( 98) = ( 0.2792553 0.1612281 0.4560220), wk = 0.0034014 k( 99) = ( 0.2712766 0.1566216 0.4429928), wk = 0.0034014 k( 100) = ( 0.2632979 0.1520151 0.4299636), wk = 0.0034014 k( 101) = ( 0.2553191 0.1474086 0.4169344), wk = 0.0034014 k( 102) = ( 0.2473404 0.1428021 0.4039052), wk = 0.0034014 k( 103) = ( 0.2393617 0.1381955 0.3908760), wk = 0.0034014 k( 104) = ( 0.2313830 0.1335890 0.3778468), wk = 0.0034014 k( 105) = ( 0.2234043 0.1289825 0.3648176), wk = 0.0034014 k( 106) = ( 0.2154255 0.1243760 0.3517884), wk = 0.0034014 k( 107) = ( 0.2074468 0.1197695 0.3387592), wk = 0.0034014 k( 108) = ( 0.1994681 0.1151630 0.3257300), wk = 0.0034014 k( 109) = ( 0.1914894 0.1105564 0.3127008), wk = 0.0034014 k( 110) = ( 0.1835106 0.1059499 0.2996716), wk = 0.0034014 k( 111) = ( 0.1755319 0.1013434 0.2866424), wk = 0.0034014 k( 112) = ( 0.1675532 0.0967369 0.2736132), wk = 0.0034014 k( 113) = ( 0.1595745 0.0921304 0.2605840), wk = 0.0034014 k( 114) = ( 0.1515957 0.0875238 0.2475548), wk = 0.0034014 k( 115) = ( 0.1436170 0.0829173 0.2345256), wk = 0.0034014 k( 116) = ( 0.1356383 0.0783108 0.2214964), wk = 0.0034014 k( 117) = ( 0.1276596 0.0737043 0.2084672), wk = 0.0034014 k( 118) = ( 0.1196809 0.0690978 0.1954380), wk = 0.0034014 k( 119) = ( 0.1117021 0.0644913 0.1824088), wk = 0.0034014 k( 120) = ( 0.1037234 0.0598847 0.1693796), wk = 0.0034014 k( 121) = ( 0.0957447 0.0552782 0.1563504), wk = 0.0034014 k( 122) = ( 0.0877660 0.0506717 0.1433212), wk = 0.0034014 k( 123) = ( 0.0797872 0.0460652 0.1302920), wk = 0.0034014 k( 124) = ( 0.0718085 0.0414587 0.1172628), wk = 0.0034014 k( 125) = ( 0.0638298 0.0368521 0.1042336), wk = 0.0034014 k( 126) = ( 0.0558511 0.0322456 0.0912044), wk = 0.0034014 k( 127) = ( 0.0478723 0.0276391 0.0781752), wk = 0.0034014 k( 128) = ( 0.0398936 0.0230326 0.0651460), wk = 0.0034014 k( 129) = ( 0.0319149 0.0184261 0.0521168), wk = 0.0034014 k( 130) = ( 0.0239362 0.0138196 0.0390876), wk = 0.0034014 k( 131) = ( 0.0159575 0.0092130 0.0260584), wk = 0.0034014 k( 132) = ( 0.0079787 0.0046065 0.0130292), wk = 0.0034014 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 135) = ( 0.0131579 0.0075967 0.0053717), wk = 0.0034014 k( 136) = ( 0.0263158 0.0151934 0.0107434), wk = 0.0034014 k( 137) = ( 0.0394737 0.0227901 0.0161151), wk = 0.0034014 k( 138) = ( 0.0526316 0.0303869 0.0214868), wk = 0.0034014 k( 139) = ( 0.0657895 0.0379836 0.0268584), wk = 0.0034014 k( 140) = ( 0.0789474 0.0455803 0.0322301), wk = 0.0034014 k( 141) = ( 0.0921053 0.0531770 0.0376018), wk = 0.0034014 k( 142) = ( 0.1052632 0.0607737 0.0429735), wk = 0.0034014 k( 143) = ( 0.1184210 0.0683704 0.0483452), wk = 0.0034014 k( 144) = ( 0.1315790 0.0759671 0.0537169), wk = 0.0034014 k( 145) = ( 0.1447368 0.0835639 0.0590886), wk = 0.0034014 k( 146) = ( 0.1578947 0.0911606 0.0644603), wk = 0.0034014 k( 147) = ( 0.1710526 0.0987573 0.0698319), wk = 0.0034014 k( 148) = ( 0.1842105 0.1063540 0.0752036), wk = 0.0034014 k( 149) = ( 0.1973684 0.1139507 0.0805753), wk = 0.0034014 k( 150) = ( 0.2105263 0.1215474 0.0859470), wk = 0.0034014 k( 151) = ( 0.2236842 0.1291441 0.0913187), wk = 0.0034014 k( 152) = ( 0.2368421 0.1367409 0.0966904), wk = 0.0034014 k( 153) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0034014 k( 154) = ( 0.2631579 0.1519343 0.1074338), wk = 0.0034014 k( 155) = ( 0.2763158 0.1595310 0.1128054), wk = 0.0034014 k( 156) = ( 0.2894737 0.1671277 0.1181771), wk = 0.0034014 k( 157) = ( 0.3026316 0.1747244 0.1235488), wk = 0.0034014 k( 158) = ( 0.3157895 0.1823211 0.1289205), wk = 0.0034014 k( 159) = ( 0.3289474 0.1899179 0.1342922), wk = 0.0034014 k( 160) = ( 0.3421053 0.1975146 0.1396639), wk = 0.0034014 k( 161) = ( 0.3552632 0.2051113 0.1450356), wk = 0.0034014 k( 162) = ( 0.3684211 0.2127080 0.1504073), wk = 0.0034014 k( 163) = ( 0.3815789 0.2203047 0.1557790), wk = 0.0034014 k( 164) = ( 0.3947368 0.2279014 0.1611506), wk = 0.0034014 k( 165) = ( 0.4078947 0.2354981 0.1665223), wk = 0.0034014 k( 166) = ( 0.4210526 0.2430948 0.1718940), wk = 0.0034014 k( 167) = ( 0.4342105 0.2506916 0.1772657), wk = 0.0034014 k( 168) = ( 0.4473684 0.2582883 0.1826374), wk = 0.0034014 k( 169) = ( 0.4605263 0.2658850 0.1880091), wk = 0.0034014 k( 170) = ( 0.4736842 0.2734817 0.1933808), wk = 0.0034014 k( 171) = ( 0.4868421 0.2810784 0.1987525), wk = 0.0034014 k( 172) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0034014 k( 173) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0034014 k( 174) = ( 0.5046296 0.2753105 0.2116843), wk = 0.0034014 k( 175) = ( 0.5092593 0.2619460 0.2192445), wk = 0.0034014 k( 176) = ( 0.5138889 0.2485814 0.2268046), wk = 0.0034014 k( 177) = ( 0.5185185 0.2352168 0.2343648), wk = 0.0034014 k( 178) = ( 0.5231482 0.2218522 0.2419249), wk = 0.0034014 k( 179) = ( 0.5277778 0.2084876 0.2494851), wk = 0.0034014 k( 180) = ( 0.5324074 0.1951230 0.2570452), wk = 0.0034014 k( 181) = ( 0.5370370 0.1817584 0.2646054), wk = 0.0034014 k( 182) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0034014 k( 183) = ( 0.5462963 0.1550292 0.2797257), wk = 0.0034014 k( 184) = ( 0.5509259 0.1416646 0.2872858), wk = 0.0034014 k( 185) = ( 0.5555556 0.1283001 0.2948460), wk = 0.0034014 k( 186) = ( 0.5601852 0.1149355 0.3024061), wk = 0.0034014 k( 187) = ( 0.5648148 0.1015709 0.3099663), wk = 0.0034014 k( 188) = ( 0.5694444 0.0882063 0.3175264), wk = 0.0034014 k( 189) = ( 0.5740741 0.0748417 0.3250866), wk = 0.0034014 k( 190) = ( 0.5787037 0.0614771 0.3326468), wk = 0.0034014 k( 191) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0034014 k( 192) = ( 0.5879630 0.0347479 0.3477671), wk = 0.0034014 k( 193) = ( 0.5925926 0.0213833 0.3553272), wk = 0.0034014 k( 194) = ( 0.5972222 0.0080188 0.3628874), wk = 0.0034014 k( 195) = ( 0.6018518 -0.0053458 0.3704475), wk = 0.0034014 k( 196) = ( 0.6064815 -0.0187104 0.3780077), wk = 0.0034014 k( 197) = ( 0.6111111 -0.0320750 0.3855678), wk = 0.0034014 k( 198) = ( 0.6157407 -0.0454396 0.3931280), wk = 0.0034014 k( 199) = ( 0.6203704 -0.0588042 0.4006881), wk = 0.0034014 k( 200) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0034014 k( 201) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0034014 k( 202) = ( 0.6171875 -0.0676582 0.4210060), wk = 0.0034014 k( 203) = ( 0.6093750 -0.0631477 0.4337638), wk = 0.0034014 k( 204) = ( 0.6015625 -0.0586371 0.4465216), wk = 0.0034014 k( 205) = ( 0.5937500 -0.0541266 0.4592793), wk = 0.0034014 k( 206) = ( 0.5859375 -0.0496160 0.4720371), wk = 0.0034014 k( 207) = ( 0.5781250 -0.0451055 0.4847948), wk = 0.0034014 k( 208) = ( 0.5703125 -0.0405949 0.4975526), wk = 0.0034014 k( 209) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0034014 k( 210) = ( 0.5546875 -0.0315738 0.5230681), wk = 0.0034014 k( 211) = ( 0.5468750 -0.0270633 0.5358259), wk = 0.0034014 k( 212) = ( 0.5390625 -0.0225527 0.5485836), wk = 0.0034014 k( 213) = ( 0.5312500 -0.0180422 0.5613414), wk = 0.0034014 k( 214) = ( 0.5234375 -0.0135316 0.5740992), wk = 0.0034014 k( 215) = ( 0.5156250 -0.0090211 0.5868569), wk = 0.0034014 k( 216) = ( 0.5078125 -0.0045105 0.5996147), wk = 0.0034014 k( 217) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0034014 k( 218) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0034014 k( 219) = ( 0.5000000 0.0093121 0.5992031), wk = 0.0034014 k( 220) = ( 0.5000000 0.0186242 0.5860338), wk = 0.0034014 k( 221) = ( 0.5000000 0.0279363 0.5728645), wk = 0.0034014 k( 222) = ( 0.5000000 0.0372484 0.5596952), wk = 0.0034014 k( 223) = ( 0.5000000 0.0465605 0.5465259), wk = 0.0034014 k( 224) = ( 0.5000000 0.0558726 0.5333566), wk = 0.0034014 k( 225) = ( 0.5000000 0.0651847 0.5201873), wk = 0.0034014 k( 226) = ( 0.5000000 0.0744968 0.5070180), wk = 0.0034014 k( 227) = ( 0.5000000 0.0838089 0.4938487), wk = 0.0034014 k( 228) = ( 0.5000000 0.0931210 0.4806794), wk = 0.0034014 k( 229) = ( 0.5000000 0.1024331 0.4675101), wk = 0.0034014 k( 230) = ( 0.5000000 0.1117452 0.4543408), wk = 0.0034014 k( 231) = ( 0.5000000 0.1210573 0.4411715), wk = 0.0034014 k( 232) = ( 0.5000000 0.1303694 0.4280022), wk = 0.0034014 k( 233) = ( 0.5000000 0.1396815 0.4148329), wk = 0.0034014 k( 234) = ( 0.5000000 0.1489936 0.4016636), wk = 0.0034014 k( 235) = ( 0.5000000 0.1583057 0.3884943), wk = 0.0034014 k( 236) = ( 0.5000000 0.1676178 0.3753250), wk = 0.0034014 k( 237) = ( 0.5000000 0.1769299 0.3621557), wk = 0.0034014 k( 238) = ( 0.5000000 0.1862420 0.3489864), wk = 0.0034014 k( 239) = ( 0.5000000 0.1955541 0.3358171), wk = 0.0034014 k( 240) = ( 0.5000000 0.2048662 0.3226479), wk = 0.0034014 k( 241) = ( 0.5000000 0.2141783 0.3094785), wk = 0.0034014 k( 242) = ( 0.5000000 0.2234904 0.2963092), wk = 0.0034014 k( 243) = ( 0.5000000 0.2328025 0.2831399), wk = 0.0034014 k( 244) = ( 0.5000000 0.2421146 0.2699706), wk = 0.0034014 k( 245) = ( 0.5000000 0.2514267 0.2568013), wk = 0.0034014 k( 246) = ( 0.5000000 0.2607388 0.2436320), wk = 0.0034014 k( 247) = ( 0.5000000 0.2700509 0.2304627), wk = 0.0034014 k( 248) = ( 0.5000000 0.2793630 0.2172935), wk = 0.0034014 k( 249) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0034014 k( 250) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0034014 k( 251) = ( 0.4953704 0.2860022 0.2192445), wk = 0.0034014 k( 252) = ( 0.4907407 0.2833293 0.2343648), wk = 0.0034014 k( 253) = ( 0.4861111 0.2806564 0.2494851), wk = 0.0034014 k( 254) = ( 0.4814815 0.2779835 0.2646054), wk = 0.0034014 k( 255) = ( 0.4768519 0.2753105 0.2797257), wk = 0.0034014 k( 256) = ( 0.4722222 0.2726376 0.2948460), wk = 0.0034014 k( 257) = ( 0.4675926 0.2699647 0.3099663), wk = 0.0034014 k( 258) = ( 0.4629630 0.2672918 0.3250866), wk = 0.0034014 k( 259) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0034014 k( 260) = ( 0.4537037 0.2619460 0.3553272), wk = 0.0034014 k( 261) = ( 0.4490741 0.2592730 0.3704475), wk = 0.0034014 k( 262) = ( 0.4444444 0.2566001 0.3855678), wk = 0.0034014 k( 263) = ( 0.4398148 0.2539272 0.4006881), wk = 0.0034014 k( 264) = ( 0.4351852 0.2512543 0.4158084), wk = 0.0034014 k( 265) = ( 0.4305556 0.2485814 0.4309287), wk = 0.0034014 k( 266) = ( 0.4259259 0.2459085 0.4460491), wk = 0.0034014 k( 267) = ( 0.4212963 0.2432355 0.4611694), wk = 0.0034014 k( 268) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0034014 k( 269) = ( 0.4120370 0.2378897 0.4914100), wk = 0.0034014 k( 270) = ( 0.4074074 0.2352168 0.5065303), wk = 0.0034014 k( 271) = ( 0.4027778 0.2325439 0.5216506), wk = 0.0034014 k( 272) = ( 0.3981481 0.2298709 0.5367709), wk = 0.0034014 k( 273) = ( 0.3935185 0.2271980 0.5518912), wk = 0.0034014 k( 274) = ( 0.3888889 0.2245251 0.5670115), wk = 0.0034014 k( 275) = ( 0.3842593 0.2218522 0.5821318), wk = 0.0034014 k( 276) = ( 0.3796296 0.2191793 0.5972521), wk = 0.0034014 k( 277) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0034014 k( 278) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0034014 k( 279) = ( 0.6171875 -0.0857004 0.4082483), wk = 0.0034014 k( 280) = ( 0.6093750 -0.0992321 0.4082483), wk = 0.0034014 k( 281) = ( 0.6015625 -0.1127637 0.4082483), wk = 0.0034014 k( 282) = ( 0.5937500 -0.1262954 0.4082483), wk = 0.0034014 k( 283) = ( 0.5859375 -0.1398270 0.4082483), wk = 0.0034014 k( 284) = ( 0.5781250 -0.1533587 0.4082483), wk = 0.0034014 k( 285) = ( 0.5703125 -0.1668903 0.4082483), wk = 0.0034014 k( 286) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0034014 k( 287) = ( 0.5546875 -0.1939536 0.4082483), wk = 0.0034014 k( 288) = ( 0.5468750 -0.2074853 0.4082483), wk = 0.0034014 k( 289) = ( 0.5390625 -0.2210169 0.4082483), wk = 0.0034014 k( 290) = ( 0.5312500 -0.2345485 0.4082483), wk = 0.0034014 k( 291) = ( 0.5234375 -0.2480802 0.4082483), wk = 0.0034014 k( 292) = ( 0.5156250 -0.2616118 0.4082483), wk = 0.0034014 k( 293) = ( 0.5078125 -0.2751435 0.4082483), wk = 0.0034014 k( 294) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0034014 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 2) = ( 0.0113636 0.0000000 0.0113636), wk = 0.0034014 k( 3) = ( 0.0227273 0.0000000 0.0227273), wk = 0.0034014 k( 4) = ( 0.0340909 0.0000000 0.0340909), wk = 0.0034014 k( 5) = ( 0.0454546 0.0000000 0.0454546), wk = 0.0034014 k( 6) = ( 0.0568182 0.0000000 0.0568182), wk = 0.0034014 k( 7) = ( 0.0681818 0.0000000 0.0681818), wk = 0.0034014 k( 8) = ( 0.0795455 0.0000000 0.0795455), wk = 0.0034014 k( 9) = ( 0.0909091 0.0000000 0.0909091), wk = 0.0034014 k( 10) = ( 0.1022727 0.0000000 0.1022727), wk = 0.0034014 k( 11) = ( 0.1136364 0.0000000 0.1136364), wk = 0.0034014 k( 12) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0034014 k( 13) = ( 0.1363636 0.0000000 0.1363636), wk = 0.0034014 k( 14) = ( 0.1477273 0.0000000 0.1477273), wk = 0.0034014 k( 15) = ( 0.1590909 0.0000000 0.1590909), wk = 0.0034014 k( 16) = ( 0.1704546 0.0000000 0.1704546), wk = 0.0034014 k( 17) = ( 0.1818182 0.0000000 0.1818182), wk = 0.0034014 k( 18) = ( 0.1931818 0.0000000 0.1931818), wk = 0.0034014 k( 19) = ( 0.2045454 0.0000000 0.2045455), wk = 0.0034014 k( 20) = ( 0.2159091 -0.0000000 0.2159091), wk = 0.0034014 k( 21) = ( 0.2272727 0.0000000 0.2272727), wk = 0.0034014 k( 22) = ( 0.2386364 0.0000000 0.2386364), wk = 0.0034014 k( 23) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0034014 k( 24) = ( 0.2613636 0.0000000 0.2613636), wk = 0.0034014 k( 25) = ( 0.2727273 0.0000000 0.2727273), wk = 0.0034014 k( 26) = ( 0.2840909 0.0000000 0.2840909), wk = 0.0034014 k( 27) = ( 0.2954545 -0.0000000 0.2954546), wk = 0.0034014 k( 28) = ( 0.3068182 0.0000000 0.3068182), wk = 0.0034014 k( 29) = ( 0.3181818 0.0000000 0.3181818), wk = 0.0034014 k( 30) = ( 0.3295455 0.0000000 0.3295455), wk = 0.0034014 k( 31) = ( 0.3409091 0.0000000 0.3409091), wk = 0.0034014 k( 32) = ( 0.3522727 0.0000000 0.3522727), wk = 0.0034014 k( 33) = ( 0.3636364 0.0000000 0.3636364), wk = 0.0034014 k( 34) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0034014 k( 35) = ( 0.3863636 0.0000000 0.3863636), wk = 0.0034014 k( 36) = ( 0.3977273 0.0000000 0.3977273), wk = 0.0034014 k( 37) = ( 0.4090909 -0.0000000 0.4090909), wk = 0.0034014 k( 38) = ( 0.4204545 0.0000000 0.4204545), wk = 0.0034014 k( 39) = ( 0.4318182 -0.0000000 0.4318182), wk = 0.0034014 k( 40) = ( 0.4431818 0.0000000 0.4431818), wk = 0.0034014 k( 41) = ( 0.4545455 0.0000000 0.4545455), wk = 0.0034014 k( 42) = ( 0.4659091 0.0000000 0.4659091), wk = 0.0034014 k( 43) = ( 0.4772727 0.0000000 0.4772727), wk = 0.0034014 k( 44) = ( 0.4886364 -0.0000000 0.4886364), wk = 0.0034014 k( 45) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034014 k( 46) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034014 k( 47) = ( 0.5000000 0.0113636 0.5113636), wk = 0.0034014 k( 48) = ( 0.5000000 0.0227273 0.5227273), wk = 0.0034014 k( 49) = ( 0.5000000 0.0340909 0.5340909), wk = 0.0034014 k( 50) = ( 0.5000000 0.0454546 0.5454546), wk = 0.0034014 k( 51) = ( 0.5000000 0.0568182 0.5568182), wk = 0.0034014 k( 52) = ( 0.5000000 0.0681818 0.5681818), wk = 0.0034014 k( 53) = ( 0.5000000 0.0795455 0.5795455), wk = 0.0034014 k( 54) = ( 0.5000000 0.0909091 0.5909091), wk = 0.0034014 k( 55) = ( 0.5000000 0.1022727 0.6022727), wk = 0.0034014 k( 56) = ( 0.5000000 0.1136364 0.6136364), wk = 0.0034014 k( 57) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0034014 k( 58) = ( 0.5000000 0.1363636 0.6363636), wk = 0.0034014 k( 59) = ( 0.5000000 0.1477273 0.6477273), wk = 0.0034014 k( 60) = ( 0.5000000 0.1590909 0.6590909), wk = 0.0034014 k( 61) = ( 0.5000000 0.1704546 0.6704546), wk = 0.0034014 k( 62) = ( 0.5000000 0.1818182 0.6818182), wk = 0.0034014 k( 63) = ( 0.5000000 0.1931818 0.6931818), wk = 0.0034014 k( 64) = ( 0.5000000 0.2045455 0.7045455), wk = 0.0034014 k( 65) = ( 0.5000000 0.2159091 0.7159091), wk = 0.0034014 k( 66) = ( 0.5000000 0.2272727 0.7272727), wk = 0.0034014 k( 67) = ( 0.5000000 0.2386364 0.7386364), wk = 0.0034014 k( 68) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0034014 k( 69) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0034014 k( 70) = ( 0.4921875 0.2578125 0.7500000), wk = 0.0034014 k( 71) = ( 0.4843750 0.2656250 0.7500000), wk = 0.0034014 k( 72) = ( 0.4765625 0.2734375 0.7500000), wk = 0.0034014 k( 73) = ( 0.4687500 0.2812500 0.7500000), wk = 0.0034014 k( 74) = ( 0.4609375 0.2890625 0.7500000), wk = 0.0034014 k( 75) = ( 0.4531250 0.2968750 0.7500000), wk = 0.0034014 k( 76) = ( 0.4453125 0.3046875 0.7500000), wk = 0.0034014 k( 77) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0034014 k( 78) = ( 0.4296875 0.3203125 0.7500000), wk = 0.0034014 k( 79) = ( 0.4218750 0.3281250 0.7500000), wk = 0.0034014 k( 80) = ( 0.4140625 0.3359375 0.7500000), wk = 0.0034014 k( 81) = ( 0.4062500 0.3437500 0.7500000), wk = 0.0034014 k( 82) = ( 0.3984375 0.3515625 0.7500000), wk = 0.0034014 k( 83) = ( 0.3906250 0.3593750 0.7500000), wk = 0.0034014 k( 84) = ( 0.3828125 0.3671875 0.7500000), wk = 0.0034014 k( 85) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0034014 k( 86) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0034014 k( 87) = ( 0.3670213 0.3670213 0.7340426), wk = 0.0034014 k( 88) = ( 0.3590426 0.3590426 0.7180851), wk = 0.0034014 k( 89) = ( 0.3510638 0.3510638 0.7021277), wk = 0.0034014 k( 90) = ( 0.3430851 0.3430851 0.6861702), wk = 0.0034014 k( 91) = ( 0.3351064 0.3351064 0.6702128), wk = 0.0034014 k( 92) = ( 0.3271277 0.3271277 0.6542553), wk = 0.0034014 k( 93) = ( 0.3191489 0.3191489 0.6382979), wk = 0.0034014 k( 94) = ( 0.3111702 0.3111702 0.6223404), wk = 0.0034014 k( 95) = ( 0.3031915 0.3031915 0.6063830), wk = 0.0034014 k( 96) = ( 0.2952128 0.2952128 0.5904255), wk = 0.0034014 k( 97) = ( 0.2872340 0.2872340 0.5744681), wk = 0.0034014 k( 98) = ( 0.2792553 0.2792553 0.5585106), wk = 0.0034014 k( 99) = ( 0.2712766 0.2712766 0.5425532), wk = 0.0034014 k( 100) = ( 0.2632979 0.2632979 0.5265957), wk = 0.0034014 k( 101) = ( 0.2553191 0.2553192 0.5106383), wk = 0.0034014 k( 102) = ( 0.2473404 0.2473404 0.4946809), wk = 0.0034014 k( 103) = ( 0.2393617 0.2393617 0.4787234), wk = 0.0034014 k( 104) = ( 0.2313830 0.2313830 0.4627660), wk = 0.0034014 k( 105) = ( 0.2234043 0.2234043 0.4468085), wk = 0.0034014 k( 106) = ( 0.2154255 0.2154255 0.4308511), wk = 0.0034014 k( 107) = ( 0.2074468 0.2074468 0.4148936), wk = 0.0034014 k( 108) = ( 0.1994681 0.1994681 0.3989362), wk = 0.0034014 k( 109) = ( 0.1914894 0.1914894 0.3829787), wk = 0.0034014 k( 110) = ( 0.1835106 0.1835106 0.3670213), wk = 0.0034014 k( 111) = ( 0.1755319 0.1755319 0.3510638), wk = 0.0034014 k( 112) = ( 0.1675532 0.1675532 0.3351064), wk = 0.0034014 k( 113) = ( 0.1595745 0.1595745 0.3191489), wk = 0.0034014 k( 114) = ( 0.1515957 0.1515957 0.3031915), wk = 0.0034014 k( 115) = ( 0.1436170 0.1436170 0.2872340), wk = 0.0034014 k( 116) = ( 0.1356383 0.1356383 0.2712766), wk = 0.0034014 k( 117) = ( 0.1276596 0.1276596 0.2553191), wk = 0.0034014 k( 118) = ( 0.1196809 0.1196809 0.2393617), wk = 0.0034014 k( 119) = ( 0.1117021 0.1117021 0.2234043), wk = 0.0034014 k( 120) = ( 0.1037234 0.1037234 0.2074468), wk = 0.0034014 k( 121) = ( 0.0957447 0.0957447 0.1914894), wk = 0.0034014 k( 122) = ( 0.0877660 0.0877660 0.1755319), wk = 0.0034014 k( 123) = ( 0.0797872 0.0797872 0.1595745), wk = 0.0034014 k( 124) = ( 0.0718085 0.0718085 0.1436170), wk = 0.0034014 k( 125) = ( 0.0638298 0.0638298 0.1276596), wk = 0.0034014 k( 126) = ( 0.0558511 0.0558511 0.1117021), wk = 0.0034014 k( 127) = ( 0.0478723 0.0478723 0.0957447), wk = 0.0034014 k( 128) = ( 0.0398936 0.0398936 0.0797872), wk = 0.0034014 k( 129) = ( 0.0319149 0.0319149 0.0638298), wk = 0.0034014 k( 130) = ( 0.0239362 0.0239362 0.0478723), wk = 0.0034014 k( 131) = ( 0.0159575 0.0159575 0.0319149), wk = 0.0034014 k( 132) = ( 0.0079787 0.0079787 0.0159575), wk = 0.0034014 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 135) = ( 0.0131579 0.0131579 0.0131579), wk = 0.0034014 k( 136) = ( 0.0263158 0.0263158 0.0263158), wk = 0.0034014 k( 137) = ( 0.0394737 0.0394737 0.0394737), wk = 0.0034014 k( 138) = ( 0.0526316 0.0526316 0.0526316), wk = 0.0034014 k( 139) = ( 0.0657895 0.0657895 0.0657895), wk = 0.0034014 k( 140) = ( 0.0789474 0.0789474 0.0789474), wk = 0.0034014 k( 141) = ( 0.0921053 0.0921053 0.0921053), wk = 0.0034014 k( 142) = ( 0.1052632 0.1052632 0.1052632), wk = 0.0034014 k( 143) = ( 0.1184210 0.1184210 0.1184211), wk = 0.0034014 k( 144) = ( 0.1315790 0.1315790 0.1315790), wk = 0.0034014 k( 145) = ( 0.1447368 0.1447368 0.1447368), wk = 0.0034014 k( 146) = ( 0.1578947 0.1578947 0.1578947), wk = 0.0034014 k( 147) = ( 0.1710526 0.1710526 0.1710526), wk = 0.0034014 k( 148) = ( 0.1842105 0.1842105 0.1842105), wk = 0.0034014 k( 149) = ( 0.1973684 0.1973684 0.1973684), wk = 0.0034014 k( 150) = ( 0.2105263 0.2105263 0.2105263), wk = 0.0034014 k( 151) = ( 0.2236842 0.2236842 0.2236842), wk = 0.0034014 k( 152) = ( 0.2368421 0.2368421 0.2368421), wk = 0.0034014 k( 153) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034014 k( 154) = ( 0.2631579 0.2631579 0.2631579), wk = 0.0034014 k( 155) = ( 0.2763158 0.2763158 0.2763158), wk = 0.0034014 k( 156) = ( 0.2894737 0.2894737 0.2894737), wk = 0.0034014 k( 157) = ( 0.3026316 0.3026316 0.3026316), wk = 0.0034014 k( 158) = ( 0.3157895 0.3157895 0.3157895), wk = 0.0034014 k( 159) = ( 0.3289474 0.3289474 0.3289474), wk = 0.0034014 k( 160) = ( 0.3421053 0.3421053 0.3421053), wk = 0.0034014 k( 161) = ( 0.3552632 0.3552632 0.3552632), wk = 0.0034014 k( 162) = ( 0.3684211 0.3684211 0.3684211), wk = 0.0034014 k( 163) = ( 0.3815789 0.3815789 0.3815790), wk = 0.0034014 k( 164) = ( 0.3947368 0.3947368 0.3947368), wk = 0.0034014 k( 165) = ( 0.4078947 0.4078947 0.4078947), wk = 0.0034014 k( 166) = ( 0.4210526 0.4210526 0.4210526), wk = 0.0034014 k( 167) = ( 0.4342105 0.4342105 0.4342105), wk = 0.0034014 k( 168) = ( 0.4473684 0.4473684 0.4473684), wk = 0.0034014 k( 169) = ( 0.4605263 0.4605263 0.4605263), wk = 0.0034014 k( 170) = ( 0.4736842 0.4736842 0.4736842), wk = 0.0034014 k( 171) = ( 0.4868421 0.4868421 0.4868421), wk = 0.0034014 k( 172) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034014 k( 173) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034014 k( 174) = ( 0.5046296 0.4907407 0.5046296), wk = 0.0034014 k( 175) = ( 0.5092593 0.4814815 0.5092593), wk = 0.0034014 k( 176) = ( 0.5138889 0.4722222 0.5138889), wk = 0.0034014 k( 177) = ( 0.5185185 0.4629630 0.5185185), wk = 0.0034014 k( 178) = ( 0.5231482 0.4537037 0.5231482), wk = 0.0034014 k( 179) = ( 0.5277778 0.4444444 0.5277778), wk = 0.0034014 k( 180) = ( 0.5324074 0.4351852 0.5324074), wk = 0.0034014 k( 181) = ( 0.5370370 0.4259259 0.5370370), wk = 0.0034014 k( 182) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0034014 k( 183) = ( 0.5462963 0.4074074 0.5462963), wk = 0.0034014 k( 184) = ( 0.5509259 0.3981482 0.5509259), wk = 0.0034014 k( 185) = ( 0.5555556 0.3888889 0.5555556), wk = 0.0034014 k( 186) = ( 0.5601852 0.3796296 0.5601852), wk = 0.0034014 k( 187) = ( 0.5648148 0.3703704 0.5648148), wk = 0.0034014 k( 188) = ( 0.5694444 0.3611111 0.5694444), wk = 0.0034014 k( 189) = ( 0.5740741 0.3518518 0.5740741), wk = 0.0034014 k( 190) = ( 0.5787037 0.3425926 0.5787037), wk = 0.0034014 k( 191) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0034014 k( 192) = ( 0.5879630 0.3240741 0.5879630), wk = 0.0034014 k( 193) = ( 0.5925926 0.3148148 0.5925926), wk = 0.0034014 k( 194) = ( 0.5972222 0.3055556 0.5972222), wk = 0.0034014 k( 195) = ( 0.6018518 0.2962963 0.6018519), wk = 0.0034014 k( 196) = ( 0.6064815 0.2870370 0.6064815), wk = 0.0034014 k( 197) = ( 0.6111111 0.2777778 0.6111111), wk = 0.0034014 k( 198) = ( 0.6157407 0.2685185 0.6157407), wk = 0.0034014 k( 199) = ( 0.6203704 0.2592593 0.6203704), wk = 0.0034014 k( 200) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0034014 k( 201) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0034014 k( 202) = ( 0.6171875 0.2500000 0.6328125), wk = 0.0034014 k( 203) = ( 0.6093750 0.2500000 0.6406250), wk = 0.0034014 k( 204) = ( 0.6015625 0.2500000 0.6484375), wk = 0.0034014 k( 205) = ( 0.5937500 0.2500000 0.6562500), wk = 0.0034014 k( 206) = ( 0.5859375 0.2500000 0.6640625), wk = 0.0034014 k( 207) = ( 0.5781250 0.2500000 0.6718750), wk = 0.0034014 k( 208) = ( 0.5703125 0.2500000 0.6796875), wk = 0.0034014 k( 209) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0034014 k( 210) = ( 0.5546875 0.2500000 0.6953125), wk = 0.0034014 k( 211) = ( 0.5468750 0.2500000 0.7031250), wk = 0.0034014 k( 212) = ( 0.5390625 0.2500000 0.7109375), wk = 0.0034014 k( 213) = ( 0.5312500 0.2500000 0.7187500), wk = 0.0034014 k( 214) = ( 0.5234375 0.2500000 0.7265625), wk = 0.0034014 k( 215) = ( 0.5156250 0.2500000 0.7343750), wk = 0.0034014 k( 216) = ( 0.5078125 0.2500000 0.7421875), wk = 0.0034014 k( 217) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0034014 k( 218) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0034014 k( 219) = ( 0.5000000 0.2580645 0.7419355), wk = 0.0034014 k( 220) = ( 0.5000000 0.2661290 0.7338710), wk = 0.0034014 k( 221) = ( 0.5000000 0.2741936 0.7258065), wk = 0.0034014 k( 222) = ( 0.5000000 0.2822581 0.7177419), wk = 0.0034014 k( 223) = ( 0.5000000 0.2903226 0.7096774), wk = 0.0034014 k( 224) = ( 0.5000000 0.2983871 0.7016129), wk = 0.0034014 k( 225) = ( 0.5000000 0.3064516 0.6935484), wk = 0.0034014 k( 226) = ( 0.5000000 0.3145161 0.6854839), wk = 0.0034014 k( 227) = ( 0.5000000 0.3225807 0.6774194), wk = 0.0034014 k( 228) = ( 0.5000000 0.3306452 0.6693548), wk = 0.0034014 k( 229) = ( 0.5000000 0.3387097 0.6612903), wk = 0.0034014 k( 230) = ( 0.5000000 0.3467742 0.6532258), wk = 0.0034014 k( 231) = ( 0.5000000 0.3548387 0.6451613), wk = 0.0034014 k( 232) = ( 0.5000000 0.3629032 0.6370968), wk = 0.0034014 k( 233) = ( 0.5000000 0.3709677 0.6290323), wk = 0.0034014 k( 234) = ( 0.5000000 0.3790323 0.6209677), wk = 0.0034014 k( 235) = ( 0.5000000 0.3870968 0.6129032), wk = 0.0034014 k( 236) = ( 0.5000000 0.3951613 0.6048387), wk = 0.0034014 k( 237) = ( 0.5000000 0.4032258 0.5967742), wk = 0.0034014 k( 238) = ( 0.5000000 0.4112903 0.5887097), wk = 0.0034014 k( 239) = ( 0.5000000 0.4193548 0.5806452), wk = 0.0034014 k( 240) = ( 0.5000000 0.4274193 0.5725807), wk = 0.0034014 k( 241) = ( 0.5000000 0.4354839 0.5645161), wk = 0.0034014 k( 242) = ( 0.5000000 0.4435484 0.5564516), wk = 0.0034014 k( 243) = ( 0.5000000 0.4516129 0.5483871), wk = 0.0034014 k( 244) = ( 0.5000000 0.4596774 0.5403226), wk = 0.0034014 k( 245) = ( 0.5000000 0.4677419 0.5322581), wk = 0.0034014 k( 246) = ( 0.5000000 0.4758065 0.5241936), wk = 0.0034014 k( 247) = ( 0.5000000 0.4838710 0.5161290), wk = 0.0034014 k( 248) = ( 0.5000000 0.4919355 0.5080645), wk = 0.0034014 k( 249) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034014 k( 250) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034014 k( 251) = ( 0.4953704 0.4953704 0.5092593), wk = 0.0034014 k( 252) = ( 0.4907407 0.4907407 0.5185185), wk = 0.0034014 k( 253) = ( 0.4861111 0.4861111 0.5277778), wk = 0.0034014 k( 254) = ( 0.4814815 0.4814815 0.5370370), wk = 0.0034014 k( 255) = ( 0.4768519 0.4768519 0.5462963), wk = 0.0034014 k( 256) = ( 0.4722222 0.4722222 0.5555556), wk = 0.0034014 k( 257) = ( 0.4675926 0.4675926 0.5648148), wk = 0.0034014 k( 258) = ( 0.4629630 0.4629630 0.5740741), wk = 0.0034014 k( 259) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0034014 k( 260) = ( 0.4537037 0.4537037 0.5925926), wk = 0.0034014 k( 261) = ( 0.4490741 0.4490741 0.6018519), wk = 0.0034014 k( 262) = ( 0.4444444 0.4444444 0.6111111), wk = 0.0034014 k( 263) = ( 0.4398148 0.4398148 0.6203704), wk = 0.0034014 k( 264) = ( 0.4351852 0.4351852 0.6296296), wk = 0.0034014 k( 265) = ( 0.4305556 0.4305556 0.6388889), wk = 0.0034014 k( 266) = ( 0.4259259 0.4259259 0.6481482), wk = 0.0034014 k( 267) = ( 0.4212963 0.4212963 0.6574074), wk = 0.0034014 k( 268) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0034014 k( 269) = ( 0.4120370 0.4120370 0.6759259), wk = 0.0034014 k( 270) = ( 0.4074074 0.4074074 0.6851852), wk = 0.0034014 k( 271) = ( 0.4027778 0.4027778 0.6944444), wk = 0.0034014 k( 272) = ( 0.3981481 0.3981482 0.7037037), wk = 0.0034014 k( 273) = ( 0.3935185 0.3935185 0.7129630), wk = 0.0034014 k( 274) = ( 0.3888889 0.3888889 0.7222222), wk = 0.0034014 k( 275) = ( 0.3842593 0.3842593 0.7314815), wk = 0.0034014 k( 276) = ( 0.3796296 0.3796296 0.7407407), wk = 0.0034014 k( 277) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0034014 k( 278) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0034014 k( 279) = ( 0.6171875 0.2343750 0.6171875), wk = 0.0034014 k( 280) = ( 0.6093750 0.2187500 0.6093750), wk = 0.0034014 k( 281) = ( 0.6015625 0.2031250 0.6015625), wk = 0.0034014 k( 282) = ( 0.5937500 0.1875000 0.5937500), wk = 0.0034014 k( 283) = ( 0.5859375 0.1718750 0.5859375), wk = 0.0034014 k( 284) = ( 0.5781250 0.1562500 0.5781250), wk = 0.0034014 k( 285) = ( 0.5703125 0.1406250 0.5703125), wk = 0.0034014 k( 286) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0034014 k( 287) = ( 0.5546875 0.1093750 0.5546875), wk = 0.0034014 k( 288) = ( 0.5468750 0.0937500 0.5468750), wk = 0.0034014 k( 289) = ( 0.5390625 0.0781250 0.5390625), wk = 0.0034014 k( 290) = ( 0.5312500 0.0625000 0.5312500), wk = 0.0034014 k( 291) = ( 0.5234375 0.0468750 0.5234375), wk = 0.0034014 k( 292) = ( 0.5156250 0.0312500 0.5156250), wk = 0.0034014 k( 293) = ( 0.5078125 0.0156250 0.5078125), wk = 0.0034014 k( 294) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034014 Dense grid: 61527 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 27221 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 146, 50) NL pseudopotentials 0.14 Mb ( 73, 124) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1283) G-vector shells 0.00 Mb ( 423) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.45 Mb ( 146, 200) Each subspace H/S matrix 0.61 Mb ( 200, 200) Each matrix 0.19 Mb ( 124, 2, 50) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./ZnSO4.save/charge-density.dat Starting wfc are 58 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.9 secs Computing kpt #: 2 total cpu time spent up to now is 45.0 secs Computing kpt #: 3 total cpu time spent up to now is 46.8 secs Computing kpt #: 4 total cpu time spent up to now is 49.0 secs Computing kpt #: 5 total cpu time spent up to now is 51.0 secs Computing kpt #: 6 total cpu time spent up to now is 53.0 secs Computing kpt #: 7 total cpu time spent up to now is 54.9 secs Computing kpt #: 8 total cpu time spent up to now is 56.9 secs Computing kpt #: 9 total cpu time spent up to now is 59.0 secs Computing kpt #: 10 total cpu time spent up to now is 61.2 secs Computing kpt #: 11 total cpu time spent up to now is 63.2 secs Computing kpt #: 12 total cpu time spent up to now is 65.3 secs Computing kpt #: 13 total cpu time spent up to now is 67.4 secs Computing kpt #: 14 total cpu time spent up to now is 69.3 secs Computing kpt #: 15 total cpu time spent up to now is 71.7 secs Computing kpt #: 16 total cpu time spent up to now is 73.6 secs Computing kpt #: 17 total cpu time spent up to now is 75.8 secs Computing kpt #: 18 total cpu time spent up to now is 77.7 secs Computing kpt #: 19 total cpu time spent up to now is 79.8 secs Computing kpt #: 20 total cpu time spent up to now is 81.9 secs Computing kpt #: 21 total cpu time spent up to now is 84.0 secs Computing kpt #: 22 total cpu time spent up to now is 86.1 secs Computing kpt #: 23 total cpu time spent up to now is 88.0 secs Computing kpt #: 24 total cpu time spent up to now is 89.9 secs Computing kpt #: 25 total cpu time spent up to now is 91.9 secs Computing kpt #: 26 total cpu time spent up to now is 93.9 secs Computing kpt #: 27 total cpu time spent up to now is 96.0 secs Computing kpt #: 28 total cpu time spent up to now is 98.2 secs Computing kpt #: 29 total cpu time spent up to now is 100.3 secs Computing kpt #: 30 total cpu time spent up to now is 102.4 secs Computing kpt #: 31 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 106.1 secs Computing kpt #: 32 total cpu time spent up to now is 108.2 secs Computing kpt #: 33 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 112.0 secs Computing kpt #: 34 total cpu time spent up to now is 114.1 secs Computing kpt #: 35 total cpu time spent up to now is 116.3 secs Computing kpt #: 36 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 120.3 secs Computing kpt #: 37 total cpu time spent up to now is 122.5 secs Computing kpt #: 38 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 126.2 secs Computing kpt #: 39 total cpu time spent up to now is 128.5 secs Computing kpt #: 40 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 132.2 secs Computing kpt #: 41 total cpu time spent up to now is 134.3 secs Computing kpt #: 42 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 138.0 secs Computing kpt #: 43 total cpu time spent up to now is 140.3 secs Computing kpt #: 44 total cpu time spent up to now is 143.3 secs Computing kpt #: 45 total cpu time spent up to now is 145.9 secs Computing kpt #: 46 total cpu time spent up to now is 148.5 secs Computing kpt #: 47 total cpu time spent up to now is 150.7 secs Computing kpt #: 48 total cpu time spent up to now is 153.3 secs Computing kpt #: 49 total cpu time spent up to now is 155.5 secs Computing kpt #: 50 total cpu time spent up to now is 157.7 secs Computing kpt #: 51 total cpu time spent up to now is 159.8 secs Computing kpt #: 52 total cpu time spent up to now is 162.0 secs Computing kpt #: 53 total cpu time spent up to now is 164.1 secs Computing kpt #: 54 total cpu time spent up to now is 166.6 secs Computing kpt #: 55 total cpu time spent up to now is 168.7 secs Computing kpt #: 56 total cpu time spent up to now is 170.8 secs Computing kpt #: 57 total cpu time spent up to now is 172.9 secs Computing kpt #: 58 total cpu time spent up to now is 175.0 secs Computing kpt #: 59 total cpu time spent up to now is 177.1 secs Computing kpt #: 60 total cpu time spent up to now is 179.3 secs Computing kpt #: 61 total cpu time spent up to now is 181.3 secs Computing kpt #: 62 total cpu time spent up to now is 183.5 secs Computing kpt #: 63 total cpu time spent up to now is 185.4 secs Computing kpt #: 64 total cpu time spent up to now is 187.5 secs Computing kpt #: 65 total cpu time spent up to now is 189.4 secs Computing kpt #: 66 total cpu time spent up to now is 191.5 secs Computing kpt #: 67 total cpu time spent up to now is 193.5 secs Computing kpt #: 68 total cpu time spent up to now is 195.4 secs Computing kpt #: 69 total cpu time spent up to now is 197.2 secs Computing kpt #: 70 total cpu time spent up to now is 199.4 secs Computing kpt #: 71 total cpu time spent up to now is 201.5 secs Computing kpt #: 72 total cpu time spent up to now is 203.6 secs Computing kpt #: 73 total cpu time spent up to now is 205.5 secs Computing kpt #: 74 total cpu time spent up to now is 207.6 secs Computing kpt #: 75 total cpu time spent up to now is 209.6 secs Computing kpt #: 76 total cpu time spent up to now is 211.7 secs Computing kpt #: 77 total cpu time spent up to now is 213.8 secs Computing kpt #: 78 total cpu time spent up to now is 216.1 secs Computing kpt #: 79 total cpu time spent up to now is 218.7 secs Computing kpt #: 80 total cpu time spent up to now is 221.7 secs Computing kpt #: 81 total cpu time spent up to now is 224.3 secs Computing kpt #: 82 total cpu time spent up to now is 226.4 secs Computing kpt #: 83 total cpu time spent up to now is 228.5 secs Computing kpt #: 84 total cpu time spent up to now is 230.6 secs Computing kpt #: 85 total cpu time spent up to now is 232.6 secs Computing kpt #: 86 total cpu time spent up to now is 234.7 secs Computing kpt #: 87 total cpu time spent up to now is 236.8 secs Computing kpt #: 88 total cpu time spent up to now is 239.0 secs Computing kpt #: 89 total cpu time spent up to now is 241.2 secs Computing kpt #: 90 total cpu time spent up to now is 243.3 secs Computing kpt #: 91 total cpu time spent up to now is 245.3 secs Computing kpt #: 92 total cpu time spent up to now is 247.7 secs Computing kpt #: 93 total cpu time spent up to now is 249.8 secs Computing kpt #: 94 total cpu time spent up to now is 251.9 secs Computing kpt #: 95 total cpu time spent up to now is 254.0 secs Computing kpt #: 96 total cpu time spent up to now is 256.2 secs Computing kpt #: 97 total cpu time spent up to now is 258.3 secs Computing kpt #: 98 total cpu time spent up to now is 260.3 secs Computing kpt #: 99 total cpu time spent up to now is 262.2 secs Computing kpt #: 100 total cpu time spent up to now is 264.1 secs Computing kpt #: 101 total cpu time spent up to now is 266.1 secs Computing kpt #: 102 total cpu time spent up to now is 267.9 secs Computing kpt #: 103 total cpu time spent up to now is 269.8 secs Computing kpt #: 104 total cpu time spent up to now is 271.7 secs Computing kpt #: 105 total cpu time spent up to now is 273.6 secs Computing kpt #: 106 total cpu time spent up to now is 275.3 secs Computing kpt #: 107 total cpu time spent up to now is 277.1 secs Computing kpt #: 108 total cpu time spent up to now is 278.8 secs Computing kpt #: 109 total cpu time spent up to now is 280.5 secs Computing kpt #: 110 total cpu time spent up to now is 282.6 secs Computing kpt #: 111 total cpu time spent up to now is 284.3 secs Computing kpt #: 112 total cpu time spent up to now is 286.1 secs Computing kpt #: 113 total cpu time spent up to now is 287.8 secs Computing kpt #: 114 total cpu time spent up to now is 289.7 secs Computing kpt #: 115 total cpu time spent up to now is 291.5 secs Computing kpt #: 116 total cpu time spent up to now is 293.4 secs Computing kpt #: 117 total cpu time spent up to now is 295.4 secs Computing kpt #: 118 total cpu time spent up to now is 297.3 secs Computing kpt #: 119 total cpu time spent up to now is 299.3 secs Computing kpt #: 120 total cpu time spent up to now is 301.3 secs Computing kpt #: 121 total cpu time spent up to now is 303.4 secs Computing kpt #: 122 total cpu time spent up to now is 305.5 secs Computing kpt #: 123 total cpu time spent up to now is 307.6 secs Computing kpt #: 124 total cpu time spent up to now is 309.7 secs Computing kpt #: 125 total cpu time spent up to now is 311.8 secs Computing kpt #: 126 total cpu time spent up to now is 314.1 secs Computing kpt #: 127 total cpu time spent up to now is 316.1 secs Computing kpt #: 128 total cpu time spent up to now is 318.1 secs Computing kpt #: 129 total cpu time spent up to now is 320.4 secs Computing kpt #: 130 total cpu time spent up to now is 322.3 secs Computing kpt #: 131 total cpu time spent up to now is 324.3 secs Computing kpt #: 132 total cpu time spent up to now is 326.3 secs Computing kpt #: 133 total cpu time spent up to now is 328.2 secs Computing kpt #: 134 total cpu time spent up to now is 330.2 secs Computing kpt #: 135 total cpu time spent up to now is 332.1 secs Computing kpt #: 136 total cpu time spent up to now is 334.0 secs Computing kpt #: 137 total cpu time spent up to now is 336.1 secs Computing kpt #: 138 total cpu time spent up to now is 338.1 secs Computing kpt #: 139 total cpu time spent up to now is 340.0 secs Computing kpt #: 140 total cpu time spent up to now is 341.9 secs Computing kpt #: 141 total cpu time spent up to now is 344.0 secs Computing kpt #: 142 total cpu time spent up to now is 346.2 secs Computing kpt #: 143 total cpu time spent up to now is 348.3 secs Computing kpt #: 144 total cpu time spent up to now is 350.5 secs Computing kpt #: 145 total cpu time spent up to now is 352.6 secs Computing kpt #: 146 total cpu time spent up to now is 354.7 secs Computing kpt #: 147 total cpu time spent up to now is 356.8 secs Computing kpt #: 148 total cpu time spent up to now is 358.8 secs Computing kpt #: 149 total cpu time spent up to now is 360.9 secs Computing kpt #: 150 total cpu time spent up to now is 362.8 secs Computing kpt #: 151 total cpu time spent up to now is 364.7 secs Computing kpt #: 152 total cpu time spent up to now is 366.6 secs Computing kpt #: 153 total cpu time spent up to now is 368.6 secs Computing kpt #: 154 total cpu time spent up to now is 370.5 secs Computing kpt #: 155 total cpu time spent up to now is 372.3 secs Computing kpt #: 156 total cpu time spent up to now is 374.3 secs Computing kpt #: 157 total cpu time spent up to now is 376.1 secs Computing kpt #: 158 total cpu time spent up to now is 378.0 secs Computing kpt #: 159 total cpu time spent up to now is 379.9 secs Computing kpt #: 160 total cpu time spent up to now is 381.8 secs Computing kpt #: 161 total cpu time spent up to now is 383.7 secs Computing kpt #: 162 total cpu time spent up to now is 385.6 secs Computing kpt #: 163 total cpu time spent up to now is 387.5 secs Computing kpt #: 164 total cpu time spent up to now is 389.5 secs Computing kpt #: 165 total cpu time spent up to now is 391.6 secs Computing kpt #: 166 total cpu time spent up to now is 393.8 secs Computing kpt #: 167 total cpu time spent up to now is 395.9 secs Computing kpt #: 168 total cpu time spent up to now is 398.3 secs Computing kpt #: 169 total cpu time spent up to now is 400.4 secs Computing kpt #: 170 total cpu time spent up to now is 402.5 secs Computing kpt #: 171 total cpu time spent up to now is 404.6 secs Computing kpt #: 172 total cpu time spent up to now is 406.7 secs Computing kpt #: 173 total cpu time spent up to now is 408.8 secs Computing kpt #: 174 total cpu time spent up to now is 410.9 secs Computing kpt #: 175 total cpu time spent up to now is 413.0 secs Computing kpt #: 176 total cpu time spent up to now is 415.2 secs Computing kpt #: 177 total cpu time spent up to now is 417.4 secs Computing kpt #: 178 total cpu time spent up to now is 419.6 secs Computing kpt #: 179 total cpu time spent up to now is 421.8 secs Computing kpt #: 180 total cpu time spent up to now is 424.0 secs Computing kpt #: 181 total cpu time spent up to now is 426.3 secs Computing kpt #: 182 total cpu time spent up to now is 428.5 secs Computing kpt #: 183 total cpu time spent up to now is 430.7 secs Computing kpt #: 184 total cpu time spent up to now is 432.9 secs Computing kpt #: 185 total cpu time spent up to now is 435.1 secs Computing kpt #: 186 total cpu time spent up to now is 437.2 secs Computing kpt #: 187 total cpu time spent up to now is 439.4 secs Computing kpt #: 188 total cpu time spent up to now is 441.5 secs Computing kpt #: 189 total cpu time spent up to now is 443.7 secs Computing kpt #: 190 total cpu time spent up to now is 445.8 secs Computing kpt #: 191 total cpu time spent up to now is 447.8 secs Computing kpt #: 192 total cpu time spent up to now is 449.9 secs Computing kpt #: 193 total cpu time spent up to now is 451.9 secs Computing kpt #: 194 total cpu time spent up to now is 453.9 secs Computing kpt #: 195 total cpu time spent up to now is 456.0 secs Computing kpt #: 196 total cpu time spent up to now is 458.0 secs Computing kpt #: 197 total cpu time spent up to now is 460.1 secs Computing kpt #: 198 total cpu time spent up to now is 462.5 secs Computing kpt #: 199 total cpu time spent up to now is 464.6 secs Computing kpt #: 200 total cpu time spent up to now is 466.7 secs Computing kpt #: 201 total cpu time spent up to now is 468.7 secs Computing kpt #: 202 total cpu time spent up to now is 470.8 secs Computing kpt #: 203 total cpu time spent up to now is 472.9 secs Computing kpt #: 204 total cpu time spent up to now is 475.2 secs Computing kpt #: 205 total cpu time spent up to now is 477.6 secs Computing kpt #: 206 total cpu time spent up to now is 479.7 secs Computing kpt #: 207 total cpu time spent up to now is 481.8 secs Computing kpt #: 208 total cpu time spent up to now is 483.9 secs Computing kpt #: 209 total cpu time spent up to now is 485.9 secs Computing kpt #: 210 total cpu time spent up to now is 488.0 secs Computing kpt #: 211 total cpu time spent up to now is 490.0 secs Computing kpt #: 212 total cpu time spent up to now is 492.0 secs Computing kpt #: 213 total cpu time spent up to now is 494.0 secs Computing kpt #: 214 total cpu time spent up to now is 496.0 secs Computing kpt #: 215 total cpu time spent up to now is 497.9 secs Computing kpt #: 216 total cpu time spent up to now is 500.1 secs Computing kpt #: 217 total cpu time spent up to now is 502.0 secs Computing kpt #: 218 total cpu time spent up to now is 504.0 secs Computing kpt #: 219 total cpu time spent up to now is 505.9 secs Computing kpt #: 220 total cpu time spent up to now is 507.7 secs Computing kpt #: 221 total cpu time spent up to now is 509.6 secs Computing kpt #: 222 total cpu time spent up to now is 511.6 secs Computing kpt #: 223 total cpu time spent up to now is 513.5 secs Computing kpt #: 224 total cpu time spent up to now is 515.7 secs Computing kpt #: 225 total cpu time spent up to now is 518.4 secs Computing kpt #: 226 total cpu time spent up to now is 520.7 secs Computing kpt #: 227 total cpu time spent up to now is 522.7 secs Computing kpt #: 228 total cpu time spent up to now is 524.8 secs Computing kpt #: 229 total cpu time spent up to now is 526.8 secs Computing kpt #: 230 total cpu time spent up to now is 528.9 secs Computing kpt #: 231 total cpu time spent up to now is 531.0 secs Computing kpt #: 232 total cpu time spent up to now is 533.0 secs Computing kpt #: 233 total cpu time spent up to now is 535.1 secs Computing kpt #: 234 total cpu time spent up to now is 537.2 secs Computing kpt #: 235 total cpu time spent up to now is 539.3 secs Computing kpt #: 236 total cpu time spent up to now is 541.3 secs Computing kpt #: 237 total cpu time spent up to now is 543.5 secs Computing kpt #: 238 total cpu time spent up to now is 545.7 secs Computing kpt #: 239 total cpu time spent up to now is 547.8 secs Computing kpt #: 240 total cpu time spent up to now is 550.0 secs Computing kpt #: 241 total cpu time spent up to now is 552.3 secs Computing kpt #: 242 total cpu time spent up to now is 554.6 secs Computing kpt #: 243 total cpu time spent up to now is 556.8 secs Computing kpt #: 244 total cpu time spent up to now is 559.1 secs Computing kpt #: 245 total cpu time spent up to now is 561.2 secs Computing kpt #: 246 total cpu time spent up to now is 563.3 secs Computing kpt #: 247 total cpu time spent up to now is 565.6 secs Computing kpt #: 248 total cpu time spent up to now is 567.8 secs Computing kpt #: 249 total cpu time spent up to now is 569.8 secs Computing kpt #: 250 total cpu time spent up to now is 571.9 secs Computing kpt #: 251 total cpu time spent up to now is 574.0 secs Computing kpt #: 252 total cpu time spent up to now is 576.2 secs Computing kpt #: 253 total cpu time spent up to now is 578.3 secs Computing kpt #: 254 total cpu time spent up to now is 580.5 secs Computing kpt #: 255 total cpu time spent up to now is 582.8 secs Computing kpt #: 256 total cpu time spent up to now is 585.0 secs Computing kpt #: 257 total cpu time spent up to now is 587.1 secs Computing kpt #: 258 total cpu time spent up to now is 589.3 secs Computing kpt #: 259 total cpu time spent up to now is 591.4 secs Computing kpt #: 260 total cpu time spent up to now is 593.6 secs Computing kpt #: 261 total cpu time spent up to now is 595.7 secs Computing kpt #: 262 total cpu time spent up to now is 597.8 secs Computing kpt #: 263 total cpu time spent up to now is 600.1 secs Computing kpt #: 264 total cpu time spent up to now is 602.2 secs Computing kpt #: 265 total cpu time spent up to now is 604.3 secs Computing kpt #: 266 total cpu time spent up to now is 606.4 secs Computing kpt #: 267 total cpu time spent up to now is 608.6 secs Computing kpt #: 268 total cpu time spent up to now is 610.8 secs Computing kpt #: 269 total cpu time spent up to now is 612.7 secs Computing kpt #: 270 total cpu time spent up to now is 614.7 secs Computing kpt #: 271 total cpu time spent up to now is 616.7 secs Computing kpt #: 272 total cpu time spent up to now is 618.8 secs Computing kpt #: 273 total cpu time spent up to now is 620.8 secs Computing kpt #: 274 total cpu time spent up to now is 622.8 secs Computing kpt #: 275 total cpu time spent up to now is 625.1 secs Computing kpt #: 276 total cpu time spent up to now is 627.2 secs Computing kpt #: 277 total cpu time spent up to now is 629.2 secs Computing kpt #: 278 total cpu time spent up to now is 631.4 secs Computing kpt #: 279 total cpu time spent up to now is 633.6 secs Computing kpt #: 280 total cpu time spent up to now is 635.9 secs Computing kpt #: 281 total cpu time spent up to now is 638.3 secs Computing kpt #: 282 total cpu time spent up to now is 640.6 secs Computing kpt #: 283 total cpu time spent up to now is 642.8 secs Computing kpt #: 284 total cpu time spent up to now is 645.1 secs Computing kpt #: 285 total cpu time spent up to now is 647.2 secs Computing kpt #: 286 total cpu time spent up to now is 649.3 secs Computing kpt #: 287 total cpu time spent up to now is 651.5 secs Computing kpt #: 288 total cpu time spent up to now is 653.6 secs Computing kpt #: 289 total cpu time spent up to now is 655.7 secs Computing kpt #: 290 total cpu time spent up to now is 657.9 secs Computing kpt #: 291 total cpu time spent up to now is 660.1 secs Computing kpt #: 292 total cpu time spent up to now is 662.4 secs Computing kpt #: 293 total cpu time spent up to now is 664.6 secs Computing kpt #: 294 total cpu time spent up to now is 666.8 secs ethr = 2.38E-11, avg # of iterations = 43.3 total cpu time spent up to now is 667.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3383 PWs) bands (ev): -21.4881 -21.4881 -17.4875 -17.4875 -17.4653 -17.4653 -17.4653 -17.4653 -10.3597 -10.3597 -6.7535 -6.7535 -6.7333 -6.7333 -6.7333 -6.7333 -3.7162 -3.7162 -3.7162 -3.7162 -3.2536 -3.2536 -3.2536 -3.2536 -3.2196 -3.2196 0.1004 0.1004 0.1004 0.1004 1.1537 1.1537 1.1729 1.1729 1.1729 1.1729 1.6145 1.6145 1.6145 1.6145 1.6881 1.6881 7.0546 7.0546 8.8422 8.8422 9.4580 9.4580 9.5434 9.5434 k = 0.0114-0.0066 0.0093 ( 3423 PWs) bands (ev): -21.4879 -21.4879 -17.4877 -17.4877 -17.4657 -17.4657 -17.4654 -17.4654 -10.3586 -10.3586 -6.7539 -6.7539 -6.7339 -6.7339 -6.7334 -6.7334 -3.7175 -3.7175 -3.7147 -3.7147 -3.2541 -3.2541 -3.2518 -3.2518 -3.2189 -3.2189 0.0982 0.0982 0.1000 0.1000 1.1522 1.1522 1.1699 1.1699 1.1729 1.1729 1.6133 1.6133 1.6155 1.6155 1.6879 1.6879 7.0572 7.0572 8.8444 8.8444 9.4597 9.4597 9.5446 9.5446 k = 0.0227-0.0131 0.0186 ( 3431 PWs) bands (ev): -21.4874 -21.4874 -17.4883 -17.4883 -17.4668 -17.4668 -17.4655 -17.4655 -10.3552 -10.3552 -6.7547 -6.7547 -6.7350 -6.7350 -6.7334 -6.7334 -3.7184 -3.7184 -3.7125 -3.7125 -3.2532 -3.2532 -3.2483 -3.2483 -3.2164 -3.2164 0.0921 0.0921 0.0984 0.0984 1.1460 1.1460 1.1608 1.1608 1.1746 1.1746 1.6094 1.6094 1.6183 1.6183 1.6876 1.6876 7.0650 7.0650 8.8513 8.8513 9.4647 9.4647 9.5483 9.5483 k = 0.0341-0.0197 0.0278 ( 3431 PWs) bands (ev): -21.4866 -21.4866 -17.4894 -17.4894 -17.4684 -17.4684 -17.4656 -17.4656 -10.3495 -10.3495 -6.7561 -6.7561 -6.7368 -6.7368 -6.7335 -6.7335 -3.7191 -3.7191 -3.7096 -3.7096 -3.2509 -3.2509 -3.2431 -3.2431 -3.2122 -3.2122 0.0822 0.0822 0.0957 0.0957 1.1334 1.1334 1.1460 1.1460 1.1798 1.1798 1.6022 1.6022 1.6228 1.6228 1.6879 1.6879 7.0779 7.0779 8.8626 8.8626 9.4728 9.4728 9.5546 9.5546 k = 0.0455-0.0262 0.0371 ( 3431 PWs) bands (ev): -21.4854 -21.4854 -17.4911 -17.4911 -17.4704 -17.4704 -17.4658 -17.4658 -10.3417 -10.3417 -6.7584 -6.7584 -6.7388 -6.7388 -6.7335 -6.7335 -3.7197 -3.7197 -3.7060 -3.7060 -3.2475 -3.2475 -3.2362 -3.2362 -3.2062 -3.2062 0.0685 0.0685 0.0919 0.0919 1.1148 1.1148 1.1257 1.1257 1.1882 1.1882 1.5907 1.5907 1.6287 1.6287 1.6895 1.6895 7.0959 7.0959 8.8785 8.8785 9.4836 9.4836 9.5640 9.5640 k = 0.0568-0.0328 0.0464 ( 3423 PWs) bands (ev): -21.4839 -21.4839 -17.4938 -17.4938 -17.4725 -17.4725 -17.4660 -17.4660 -10.3316 -10.3316 -6.7620 -6.7620 -6.7409 -6.7409 -6.7336 -6.7336 -3.7201 -3.7201 -3.7015 -3.7015 -3.2432 -3.2432 -3.2275 -3.2275 -3.1982 -3.1982 0.0513 0.0513 0.0872 0.0872 1.0910 1.0910 1.1005 1.1005 1.1991 1.1991 1.5747 1.5747 1.6356 1.6356 1.6927 1.6927 7.1188 7.1188 8.8987 8.8987 9.4966 9.4966 9.5768 9.5768 k = 0.0682-0.0394 0.0557 ( 3419 PWs) bands (ev): -21.4821 -21.4821 -17.4977 -17.4977 -17.4745 -17.4745 -17.4663 -17.4663 -10.3194 -10.3194 -6.7670 -6.7670 -6.7428 -6.7428 -6.7336 -6.7336 -3.7206 -3.7206 -3.6962 -3.6962 -3.2380 -3.2380 -3.2169 -3.2169 -3.1884 -3.1884 0.0309 0.0309 0.0814 0.0814 1.0624 1.0624 1.0708 1.0708 1.2121 1.2121 1.5541 1.5541 1.6432 1.6432 1.6972 1.6972 7.1467 7.1467 8.9233 8.9233 9.5111 9.5111 9.5936 9.5936 k = 0.0795-0.0459 0.0649 ( 3411 PWs) bands (ev): -21.4799 -21.4799 -17.5029 -17.5029 -17.4762 -17.4762 -17.4667 -17.4667 -10.3051 -10.3051 -6.7735 -6.7735 -6.7443 -6.7443 -6.7337 -6.7337 -3.7211 -3.7211 -3.6900 -3.6900 -3.2321 -3.2321 -3.2045 -3.2045 -3.1765 -3.1765 0.0075 0.0075 0.0747 0.0747 1.0295 1.0295 1.0368 1.0368 1.2268 1.2268 1.5294 1.5294 1.6512 1.6512 1.7028 1.7028 7.1792 7.1792 8.9520 8.9520 9.5265 9.5265 9.6148 9.6148 k = 0.0909-0.0525 0.0742 ( 3411 PWs) bands (ev): -21.4775 -21.4775 -17.5093 -17.5093 -17.4776 -17.4776 -17.4671 -17.4671 -10.2887 -10.2887 -6.7815 -6.7815 -6.7456 -6.7456 -6.7338 -6.7338 -3.7216 -3.7216 -3.6830 -3.6830 -3.2256 -3.2256 -3.1902 -3.1902 -3.1626 -3.1626 -0.0185 -0.0185 0.0669 0.0669 0.9925 0.9925 0.9991 0.9991 1.2427 1.2427 1.5011 1.5011 1.6593 1.6593 1.7090 1.7090 7.2164 7.2164 8.9848 8.9848 9.5423 9.5423 9.6407 9.6407 k = 0.1023-0.0590 0.0835 ( 3411 PWs) bands (ev): -21.4747 -21.4747 -17.5169 -17.5169 -17.4787 -17.4787 -17.4675 -17.4675 -10.2703 -10.2703 -6.7908 -6.7908 -6.7467 -6.7467 -6.7339 -6.7339 -3.7221 -3.7221 -3.6751 -3.6751 -3.2185 -3.2185 -3.1741 -3.1741 -3.1466 -3.1466 -0.0469 -0.0469 0.0582 0.0582 0.9517 0.9517 0.9578 0.9578 1.2592 1.2592 1.4698 1.4698 1.6675 1.6675 1.7157 1.7157 7.2579 7.2579 9.0216 9.0216 9.5584 9.5584 9.6712 9.6712 k = 0.1136-0.0656 0.0928 ( 3419 PWs) bands (ev): -21.4717 -21.4717 -17.5255 -17.5255 -17.4796 -17.4796 -17.4680 -17.4680 -10.2500 -10.2500 -6.8014 -6.8014 -6.7477 -6.7477 -6.7341 -6.7341 -3.7227 -3.7227 -3.6664 -3.6664 -3.2108 -3.2108 -3.1561 -3.1561 -3.1287 -3.1287 -0.0774 -0.0774 0.0486 0.0486 0.9075 0.9075 0.9133 0.9133 1.2755 1.2755 1.4364 1.4364 1.6755 1.6755 1.7226 1.7226 7.3037 7.3037 9.0620 9.0620 9.5750 9.5750 9.7061 9.7061 k = 0.1250-0.0722 0.1021 ( 3407 PWs) bands (ev): -21.4684 -21.4684 -17.5351 -17.5351 -17.4804 -17.4804 -17.4685 -17.4685 -10.2278 -10.2278 -6.8132 -6.8132 -6.7486 -6.7486 -6.7343 -6.7343 -3.7231 -3.7231 -3.6568 -3.6568 -3.2026 -3.2026 -3.1361 -3.1361 -3.1086 -3.1086 -0.1096 -0.1096 0.0382 0.0382 0.8600 0.8600 0.8659 0.8659 1.2893 1.2893 1.4034 1.4034 1.6834 1.6834 1.7296 1.7296 7.3536 7.3536 9.1062 9.1062 9.5921 9.5921 9.7450 9.7450 k = 0.1364-0.0787 0.1113 ( 3411 PWs) bands (ev): -21.4649 -21.4649 -17.5455 -17.5455 -17.4811 -17.4811 -17.4691 -17.4691 -10.2038 -10.2038 -6.8261 -6.8261 -6.7495 -6.7495 -6.7345 -6.7345 -3.7237 -3.7237 -3.6465 -3.6465 -3.1940 -3.1940 -3.1143 -3.1143 -3.0867 -3.0867 -0.1435 -0.1435 0.0269 0.0269 0.8094 0.8094 0.8156 0.8156 1.2939 1.2939 1.3775 1.3775 1.6909 1.6909 1.7365 1.7365 7.4074 7.4074 9.1536 9.1536 9.6098 9.6098 9.7875 9.7875 k = 0.1477-0.0853 0.1206 ( 3403 PWs) bands (ev): -21.4611 -21.4611 -17.5566 -17.5566 -17.4817 -17.4817 -17.4697 -17.4697 -10.1782 -10.1782 -6.8401 -6.8401 -6.7503 -6.7503 -6.7347 -6.7347 -3.7241 -3.7241 -3.6353 -3.6353 -3.1849 -3.1849 -3.0906 -3.0906 -3.0627 -3.0627 -0.1787 -0.1787 0.0150 0.0150 0.7561 0.7561 0.7628 0.7628 1.2768 1.2768 1.3714 1.3714 1.6982 1.6982 1.7433 1.7433 7.4649 7.4649 9.2043 9.2043 9.6282 9.6282 9.8333 9.8333 k = 0.1591-0.0919 0.1299 ( 3411 PWs) bands (ev): -21.4570 -21.4570 -17.5684 -17.5684 -17.4823 -17.4823 -17.4703 -17.4703 -10.1509 -10.1509 -6.8551 -6.8551 -6.7512 -6.7512 -6.7349 -6.7349 -3.7246 -3.7246 -3.6235 -3.6235 -3.1754 -3.1754 -3.0650 -3.0650 -3.0369 -3.0369 -0.2151 -0.2151 0.0022 0.0022 0.7001 0.7001 0.7074 0.7074 1.2412 1.2412 1.3821 1.3821 1.7052 1.7052 1.7498 1.7498 7.5259 7.5259 9.2579 9.2579 9.6474 9.6474 9.8821 9.8821 k = 0.1705-0.0984 0.1392 ( 3423 PWs) bands (ev): -21.4528 -21.4528 -17.5808 -17.5808 -17.4829 -17.4829 -17.4710 -17.4710 -10.1221 -10.1221 -6.8712 -6.8712 -6.7520 -6.7520 -6.7352 -6.7352 -3.7251 -3.7251 -3.6110 -3.6110 -3.1655 -3.1655 -3.0376 -3.0376 -3.0092 -3.0092 -0.2524 -0.2524 -0.0112 -0.0112 0.6418 0.6418 0.6497 0.6497 1.1979 1.1979 1.3989 1.3989 1.7118 1.7118 1.7562 1.7562 7.5903 7.5903 9.3142 9.3142 9.6673 9.6673 9.9335 9.9335 k = 0.1818-0.1050 0.1485 ( 3403 PWs) bands (ev): -21.4484 -21.4484 -17.5937 -17.5937 -17.4835 -17.4835 -17.4717 -17.4717 -10.0919 -10.0919 -6.8881 -6.8881 -6.7528 -6.7528 -6.7354 -6.7354 -3.7254 -3.7254 -3.5977 -3.5977 -3.1552 -3.1552 -3.0082 -3.0082 -2.9795 -2.9795 -0.2904 -0.2904 -0.0251 -0.0251 0.5813 0.5813 0.5898 0.5898 1.1512 1.1512 1.4177 1.4177 1.7181 1.7181 1.7624 1.7624 7.6579 7.6579 9.3730 9.3730 9.6880 9.6880 9.9873 9.9873 k = 0.1932-0.1115 0.1577 ( 3411 PWs) bands (ev): -21.4438 -21.4438 -17.6070 -17.6070 -17.4840 -17.4840 -17.4724 -17.4724 -10.0605 -10.0605 -6.9059 -6.9059 -6.7537 -6.7537 -6.7357 -6.7357 -3.7257 -3.7257 -3.5839 -3.5839 -3.1447 -3.1447 -2.9771 -2.9771 -2.9480 -2.9480 -0.3290 -0.3290 -0.0397 -0.0397 0.5188 0.5188 0.5279 0.5279 1.1024 1.1024 1.4372 1.4372 1.7241 1.7241 1.7683 1.7683 7.7284 7.7284 9.4340 9.4340 9.7093 9.7093 10.0432 10.0432 k = 0.2045-0.1181 0.1670 ( 3411 PWs) bands (ev): -21.4391 -21.4391 -17.6207 -17.6207 -17.4846 -17.4846 -17.4731 -17.4731 -10.0278 -10.0278 -6.9245 -6.9245 -6.7545 -6.7545 -6.7360 -6.7360 -3.7259 -3.7259 -3.5695 -3.5695 -3.1340 -3.1340 -2.9441 -2.9441 -2.9147 -2.9147 -0.3680 -0.3680 -0.0548 -0.0548 0.4545 0.4545 0.4642 0.4642 1.0523 1.0523 1.4569 1.4569 1.7298 1.7298 1.7740 1.7740 7.8018 7.8018 9.4969 9.4969 9.7313 9.7313 10.1008 10.1008 k = 0.2159-0.1247 0.1763 ( 3387 PWs) bands (ev): -21.4343 -21.4343 -17.6346 -17.6346 -17.4851 -17.4851 -17.4739 -17.4739 -9.9941 -9.9941 -6.9439 -6.9439 -6.7552 -6.7552 -6.7362 -6.7362 -3.7260 -3.7260 -3.5545 -3.5545 -3.1230 -3.1230 -2.9092 -2.9092 -2.8795 -2.8795 -0.4073 -0.4073 -0.0703 -0.0703 0.3887 0.3887 0.3987 0.3987 1.0015 1.0015 1.4766 1.4766 1.7352 1.7352 1.7795 1.7795 7.8779 7.8779 9.5615 9.5615 9.7539 9.7539 10.1600 10.1600 k = 0.2273-0.1312 0.1856 ( 3383 PWs) bands (ev): -21.4293 -21.4293 -17.6488 -17.6488 -17.4856 -17.4856 -17.4747 -17.4747 -9.9595 -9.9595 -6.9641 -6.9641 -6.7560 -6.7560 -6.7365 -6.7365 -3.7260 -3.7260 -3.5391 -3.5391 -3.1119 -3.1119 -2.8725 -2.8725 -2.8426 -2.8426 -0.4467 -0.4467 -0.0864 -0.0864 0.3214 0.3214 0.3316 0.3316 0.9503 0.9503 1.4959 1.4959 1.7403 1.7403 1.7847 1.7847 7.9565 7.9565 9.6273 9.6273 9.7771 9.7771 10.2204 10.2204 k = 0.2386-0.1378 0.1948 ( 3399 PWs) bands (ev): -21.4243 -21.4243 -17.6631 -17.6631 -17.4862 -17.4862 -17.4755 -17.4755 -9.9242 -9.9242 -6.9848 -6.9848 -6.7569 -6.7569 -6.7369 -6.7369 -3.7260 -3.7260 -3.5233 -3.5233 -3.1007 -3.1007 -2.8342 -2.8342 -2.8040 -2.8040 -0.4861 -0.4861 -0.1030 -0.1030 0.2530 0.2530 0.2631 0.2631 0.8989 0.8989 1.5148 1.5148 1.7451 1.7451 1.7897 1.7897 8.0373 8.0373 9.6938 9.6938 9.8011 9.8011 10.2816 10.2816 k = 0.2500-0.1443 0.2041 ( 3399 PWs) bands (ev): -21.4192 -21.4192 -17.6774 -17.6774 -17.4867 -17.4867 -17.4763 -17.4763 -9.8882 -9.8882 -7.0062 -7.0062 -6.7577 -6.7577 -6.7373 -6.7373 -3.7258 -3.7258 -3.5072 -3.5072 -3.0894 -3.0894 -2.7940 -2.7940 -2.7636 -2.7636 -0.5253 -0.5253 -0.1202 -0.1202 0.1837 0.1837 0.1934 0.1934 0.8477 0.8477 1.5332 1.5332 1.7497 1.7497 1.7945 1.7945 8.1203 8.1203 9.7598 9.7598 9.8266 9.8266 10.3436 10.3436 k = 0.2614-0.1509 0.2134 ( 3399 PWs) bands (ev): -21.4141 -21.4141 -17.6918 -17.6918 -17.4872 -17.4872 -17.4771 -17.4771 -9.8517 -9.8517 -7.0280 -7.0280 -6.7584 -6.7584 -6.7376 -6.7376 -3.7255 -3.7255 -3.4908 -3.4908 -3.0781 -3.0781 -2.7522 -2.7522 -2.7216 -2.7216 -0.5642 -0.5642 -0.1384 -0.1384 0.1140 0.1140 0.1227 0.1227 0.7969 0.7969 1.5510 1.5510 1.7540 1.7540 1.7991 1.7991 8.2052 8.2052 9.8199 9.8199 9.8589 9.8589 10.4058 10.4058 k = 0.2727-0.1575 0.2227 ( 3391 PWs) bands (ev): -21.4090 -21.4090 -17.7060 -17.7060 -17.4877 -17.4877 -17.4779 -17.4779 -9.8148 -9.8148 -7.0503 -7.0503 -6.7592 -6.7592 -6.7379 -6.7379 -3.7251 -3.7251 -3.4741 -3.4741 -3.0667 -3.0667 -2.7086 -2.7086 -2.6779 -2.6779 -0.6027 -0.6027 -0.1580 -0.1580 0.0442 0.0442 0.0516 0.0516 0.7468 0.7468 1.5682 1.5682 1.7581 1.7581 1.8035 1.8035 8.2918 8.2918 9.8590 9.8590 9.9124 9.9124 10.4680 10.4680 k = 0.2841-0.1640 0.2320 ( 3399 PWs) bands (ev): -21.4040 -21.4040 -17.7201 -17.7201 -17.4882 -17.4882 -17.4787 -17.4787 -9.7779 -9.7779 -7.0729 -7.0729 -6.7599 -6.7599 -6.7383 -6.7383 -3.7247 -3.7247 -3.4574 -3.4574 -3.0556 -3.0556 -2.6634 -2.6634 -2.6326 -2.6326 -0.6405 -0.6405 -0.1806 -0.1806 -0.0260 -0.0260 -0.0177 -0.0177 0.6976 0.6976 1.5847 1.5847 1.7619 1.7619 1.8077 1.8077 8.3800 8.3800 9.8857 9.8857 9.9782 9.9782 10.5299 10.5299 k = 0.2955-0.1706 0.2412 ( 3407 PWs) bands (ev): -21.3990 -21.3990 -17.7339 -17.7339 -17.4886 -17.4886 -17.4795 -17.4795 -9.7409 -9.7409 -7.0957 -7.0957 -6.7607 -6.7607 -6.7387 -6.7387 -3.7242 -3.7242 -3.4405 -3.4405 -3.0445 -3.0445 -2.6166 -2.6166 -2.5857 -2.5857 -0.6777 -0.6777 -0.2095 -0.2095 -0.0983 -0.0983 -0.0799 -0.0799 0.6495 0.6495 1.6004 1.6004 1.7655 1.7655 1.8117 1.8117 8.4694 8.4694 9.9094 9.9094 10.0463 10.0463 10.5912 10.5912 k = 0.3068-0.1771 0.2505 ( 3407 PWs) bands (ev): -21.3940 -21.3940 -17.7474 -17.7474 -17.4891 -17.4891 -17.4803 -17.4803 -9.7041 -9.7041 -7.1187 -7.1187 -6.7614 -6.7614 -6.7390 -6.7390 -3.7235 -3.7235 -3.4238 -3.4238 -3.0337 -3.0337 -2.5681 -2.5681 -2.5373 -2.5373 -0.7140 -0.7140 -0.2504 -0.2504 -0.1721 -0.1721 -0.1296 -0.1296 0.6027 0.6027 1.6154 1.6154 1.7688 1.7688 1.8156 1.8156 8.5598 8.5598 9.9320 9.9320 10.1148 10.1148 10.6516 10.6516 k = 0.3182-0.1837 0.2598 ( 3407 PWs) bands (ev): -21.3892 -21.3892 -17.7606 -17.7606 -17.4895 -17.4895 -17.4811 -17.4811 -9.6677 -9.6677 -7.1416 -7.1416 -6.7621 -6.7621 -6.7394 -6.7394 -3.7229 -3.7229 -3.4071 -3.4071 -3.0230 -3.0230 -2.5182 -2.5182 -2.4874 -2.4874 -0.7492 -0.7492 -0.3060 -0.3060 -0.2467 -0.2467 -0.1645 -0.1645 0.5575 0.5575 1.6296 1.6296 1.7720 1.7720 1.8193 1.8193 8.6509 8.6509 9.9535 9.9535 10.1829 10.1829 10.7107 10.7107 k = 0.3295-0.1903 0.2691 ( 3403 PWs) bands (ev): -21.3845 -21.3845 -17.7733 -17.7733 -17.4899 -17.4899 -17.4818 -17.4818 -9.6319 -9.6319 -7.1644 -7.1644 -6.7627 -6.7627 -6.7397 -6.7397 -3.7221 -3.7221 -3.3907 -3.3907 -3.0127 -3.0127 -2.4667 -2.4667 -2.4360 -2.4360 -0.7834 -0.7834 -0.3715 -0.3715 -0.3217 -0.3217 -0.1891 -0.1891 0.5140 0.5140 1.6430 1.6430 1.7750 1.7750 1.8228 1.8228 8.7426 8.7426 9.9738 9.9738 10.2503 10.2503 10.7682 10.7682 k = 0.3409-0.1968 0.2784 ( 3399 PWs) bands (ev): -21.3800 -21.3800 -17.7855 -17.7855 -17.4903 -17.4903 -17.4826 -17.4826 -9.5968 -9.5968 -7.1869 -7.1869 -6.7634 -6.7634 -6.7400 -6.7400 -3.7212 -3.7212 -3.3746 -3.3746 -3.0027 -3.0026 -2.4137 -2.4137 -2.3832 -2.3832 -0.8162 -0.8162 -0.4421 -0.4421 -0.3969 -0.3969 -0.2083 -0.2083 0.4723 0.4723 1.6555 1.6555 1.7778 1.7778 1.8261 1.8261 8.8343 8.8343 9.9929 9.9929 10.3168 10.3168 10.8238 10.8238 k = 0.3523-0.2034 0.2876 ( 3399 PWs) bands (ev): -21.3756 -21.3756 -17.7972 -17.7972 -17.4906 -17.4906 -17.4833 -17.4833 -9.5628 -9.5628 -7.2090 -7.2090 -6.7639 -6.7639 -6.7403 -6.7403 -3.7204 -3.7204 -3.3590 -3.3590 -2.9931 -2.9931 -2.3593 -2.3593 -2.3291 -2.3291 -0.8477 -0.8477 -0.5151 -0.5151 -0.4723 -0.4723 -0.2247 -0.2247 0.4327 0.4327 1.6671 1.6671 1.7803 1.7803 1.8293 1.8293 8.9258 8.9258 10.0105 10.0105 10.3822 10.3822 10.8771 10.8771 k = 0.3636-0.2099 0.2969 ( 3391 PWs) bands (ev): -21.3715 -21.3715 -17.8082 -17.8082 -17.4909 -17.4909 -17.4839 -17.4839 -9.5299 -9.5299 -7.2306 -7.2306 -6.7645 -6.7645 -6.7406 -6.7406 -3.7195 -3.7195 -3.3439 -3.3439 -2.9839 -2.9839 -2.3036 -2.3036 -2.2738 -2.2738 -0.8776 -0.8776 -0.5893 -0.5893 -0.5476 -0.5476 -0.2391 -0.2391 0.3954 0.3954 1.6779 1.6779 1.7827 1.7827 1.8323 1.8323 9.0167 9.0167 10.0265 10.0265 10.4463 10.4463 10.9279 10.9279 k = 0.3750-0.2165 0.3062 ( 3391 PWs) bands (ev): -21.3675 -21.3675 -17.8186 -17.8186 -17.4912 -17.4912 -17.4846 -17.4846 -9.4985 -9.4985 -7.2514 -7.2514 -6.7650 -6.7650 -6.7409 -6.7409 -3.7186 -3.7186 -3.3294 -3.3294 -2.9752 -2.9752 -2.2467 -2.2467 -2.2173 -2.2173 -0.9058 -0.9058 -0.6640 -0.6640 -0.6227 -0.6227 -0.2521 -0.2521 0.3604 0.3604 1.6878 1.6878 1.7849 1.7849 1.8352 1.8352 9.1064 9.1064 10.0404 10.0404 10.5090 10.5090 10.9758 10.9758 k = 0.3864-0.2231 0.3155 ( 3391 PWs) bands (ev): -21.3639 -21.3639 -17.8283 -17.8283 -17.4915 -17.4915 -17.4852 -17.4852 -9.4687 -9.4687 -7.2712 -7.2712 -6.7655 -6.7655 -6.7411 -6.7411 -3.7178 -3.7178 -3.3158 -3.3158 -2.9671 -2.9671 -2.1886 -2.1886 -2.1598 -2.1598 -0.9322 -0.9322 -0.7388 -0.7388 -0.6974 -0.6974 -0.2639 -0.2639 0.3279 0.3279 1.6969 1.6969 1.7869 1.7869 1.8378 1.8378 9.1944 9.1944 10.0522 10.0522 10.5702 10.5702 11.0206 11.0206 k = 0.3977-0.2296 0.3247 ( 3387 PWs) bands (ev): -21.3605 -21.3605 -17.8371 -17.8371 -17.4917 -17.4917 -17.4858 -17.4858 -9.4408 -9.4408 -7.2900 -7.2900 -6.7659 -6.7659 -6.7413 -6.7413 -3.7169 -3.7169 -3.3030 -3.3030 -2.9596 -2.9596 -2.1294 -2.1294 -2.1014 -2.1014 -0.9566 -0.9566 -0.8133 -0.8133 -0.7715 -0.7715 -0.2745 -0.2745 0.2981 0.2981 1.7050 1.7050 1.7887 1.7887 1.8403 1.8403 9.2802 9.2802 10.0614 10.0614 10.6301 10.6301 11.0620 11.0620 k = 0.4091-0.2362 0.3340 ( 3386 PWs) bands (ev): -21.3574 -21.3574 -17.8452 -17.8452 -17.4919 -17.4919 -17.4863 -17.4863 -9.4150 -9.4150 -7.3075 -7.3075 -6.7663 -6.7663 -6.7416 -6.7416 -3.7161 -3.7161 -3.2912 -3.2912 -2.9527 -2.9527 -2.0694 -2.0694 -2.0423 -2.0423 -0.9790 -0.9790 -0.8873 -0.8873 -0.8447 -0.8447 -0.2841 -0.2841 0.2711 0.2711 1.7122 1.7122 1.7903 1.7903 1.8425 1.8425 9.3631 9.3631 10.0679 10.0679 10.6885 10.6885 11.0997 11.0997 k = 0.4205-0.2427 0.3433 ( 3390 PWs) bands (ev): -21.3546 -21.3546 -17.8524 -17.8524 -17.4921 -17.4921 -17.4868 -17.4868 -9.3916 -9.3916 -7.3234 -7.3234 -6.7666 -6.7666 -6.7418 -6.7418 -3.7154 -3.7154 -3.2805 -3.2805 -2.9465 -2.9465 -2.0087 -2.0087 -1.9828 -1.9828 -0.9998 -0.9998 -0.9599 -0.9599 -0.9167 -0.9167 -0.2926 -0.2926 0.2469 0.2469 1.7186 1.7186 1.7917 1.7917 1.8446 1.8446 9.4422 9.4422 10.0713 10.0713 10.7456 10.7456 11.1334 11.1334 k = 0.4318-0.2493 0.3526 ( 3382 PWs) bands (ev): -21.3522 -21.3522 -17.8588 -17.8588 -17.4922 -17.4922 -17.4872 -17.4872 -9.3708 -9.3708 -7.3378 -7.3378 -6.7669 -6.7669 -6.7419 -6.7419 -3.7147 -3.7147 -3.2710 -3.2710 -2.9410 -2.9410 -1.9476 -1.9476 -1.9233 -1.9233 -1.0355 -1.0355 -1.0147 -1.0147 -0.9863 -0.9863 -0.2999 -0.2999 0.2258 0.2258 1.7241 1.7241 1.7929 1.7929 1.8464 1.8464 9.5168 9.5168 10.0715 10.0715 10.8017 10.8017 11.1630 11.1630 k = 0.4432-0.2559 0.3619 ( 3390 PWs) bands (ev): -21.3501 -21.3501 -17.8642 -17.8642 -17.4923 -17.4923 -17.4876 -17.4876 -9.3528 -9.3528 -7.3502 -7.3502 -6.7672 -6.7672 -6.7421 -6.7421 -3.7142 -3.7142 -3.2628 -3.2628 -2.9364 -2.9364 -1.8868 -1.8868 -1.8644 -1.8644 -1.1040 -1.1040 -1.0573 -1.0573 -1.0287 -1.0287 -0.3062 -0.3062 0.2077 0.2077 1.7287 1.7287 1.7939 1.7939 1.8480 1.8480 9.5858 9.5858 10.0684 10.0684 10.8568 10.8568 11.1882 11.1882 k = 0.4545-0.2624 0.3711 ( 3378 PWs) bands (ev): -21.3484 -21.3484 -17.8686 -17.8686 -17.4924 -17.4924 -17.4879 -17.4879 -9.3378 -9.3378 -7.3607 -7.3607 -6.7674 -6.7674 -6.7422 -6.7422 -3.7136 -3.7136 -3.2560 -3.2560 -2.9325 -2.9325 -1.8270 -1.8270 -1.8073 -1.8073 -1.1712 -1.1712 -1.1213 -1.1213 -1.0424 -1.0424 -0.3112 -0.3112 0.1928 0.1928 1.7325 1.7325 1.7948 1.7948 1.8493 1.8493 9.6479 9.6479 10.0621 10.0621 10.9113 10.9113 11.2086 11.2086 k = 0.4659-0.2690 0.3804 ( 3370 PWs) bands (ev): -21.3470 -21.3470 -17.8721 -17.8721 -17.4924 -17.4924 -17.4882 -17.4882 -9.3259 -9.3259 -7.3690 -7.3690 -6.7676 -6.7676 -6.7423 -6.7423 -3.7131 -3.7131 -3.2506 -3.2506 -2.9294 -2.9294 -1.7699 -1.7699 -1.7538 -1.7538 -1.2342 -1.2342 -1.1806 -1.1806 -1.0525 -1.0525 -0.3152 -0.3152 0.1812 0.1812 1.7354 1.7354 1.7955 1.7955 1.8503 1.8503 9.7014 9.7014 10.0532 10.0532 10.9652 10.9652 11.2232 11.2232 k = 0.4773-0.2756 0.3897 ( 3370 PWs) bands (ev): -21.3461 -21.3461 -17.8746 -17.8746 -17.4925 -17.4925 -17.4884 -17.4884 -9.3173 -9.3173 -7.3750 -7.3750 -6.7677 -6.7677 -6.7423 -6.7423 -3.7128 -3.7128 -3.2467 -3.2467 -2.9272 -2.9272 -1.7188 -1.7188 -1.7074 -1.7074 -1.2895 -1.2895 -1.2314 -1.2314 -1.0596 -1.0596 -0.3181 -0.3181 0.1728 0.1728 1.7374 1.7374 1.7960 1.7960 1.8511 1.8511 9.7439 9.7439 10.0434 10.0434 11.0182 11.0182 11.2257 11.2257 k = 0.4886-0.2821 0.3990 ( 3378 PWs) bands (ev): -21.3455 -21.3455 -17.8761 -17.8761 -17.4925 -17.4925 -17.4885 -17.4885 -9.3121 -9.3121 -7.3786 -7.3786 -6.7678 -6.7678 -6.7424 -6.7424 -3.7127 -3.7127 -3.2443 -3.2443 -2.9259 -2.9259 -1.6802 -1.6802 -1.6742 -1.6742 -1.3303 -1.3303 -1.2675 -1.2675 -1.0639 -1.0639 -0.3198 -0.3198 0.1678 0.1678 1.7387 1.7387 1.7962 1.7962 1.8515 1.8515 9.7720 9.7720 10.0352 10.0352 11.0687 11.0687 11.1940 11.1940 k = 0.5000-0.2887 0.4082 ( 3378 PWs) bands (ev): -21.3453 -21.3453 -17.8766 -17.8766 -17.4925 -17.4925 -17.4885 -17.4885 -9.3104 -9.3104 -7.3798 -7.3798 -6.7678 -6.7678 -6.7424 -6.7424 -3.7126 -3.7126 -3.2436 -3.2436 -2.9255 -2.9255 -1.6647 -1.6647 -1.6622 -1.6622 -1.3461 -1.3461 -1.2809 -1.2809 -1.0654 -1.0654 -0.3204 -0.3204 0.1661 0.1661 1.7391 1.7391 1.7963 1.7963 1.8517 1.8517 9.7820 9.7820 10.0319 10.0319 11.0997 11.0997 11.1649 11.1649 k = 0.5000-0.2887 0.4082 ( 3378 PWs) bands (ev): -21.3453 -21.3453 -17.8766 -17.8766 -17.4925 -17.4925 -17.4885 -17.4885 -9.3104 -9.3104 -7.3798 -7.3798 -6.7678 -6.7678 -6.7424 -6.7424 -3.7126 -3.7126 -3.2436 -3.2436 -2.9255 -2.9255 -1.6647 -1.6647 -1.6622 -1.6622 -1.3461 -1.3461 -1.2809 -1.2809 -1.0654 -1.0654 -0.3204 -0.3204 0.1661 0.1661 1.7391 1.7391 1.7963 1.7963 1.8517 1.8517 9.7820 9.7820 10.0319 10.0319 11.0997 11.0997 11.1649 11.1649 k = 0.5000-0.2756 0.4175 ( 3378 PWs) bands (ev): -21.3453 -21.3452 -17.8769 -17.8763 -17.4929 -17.4922 -17.4887 -17.4883 -9.3107 -9.3101 -7.3802 -7.3792 -6.7687 -6.7671 -6.7429 -6.7422 -3.7141 -3.7106 -3.2451 -3.2432 -2.9250 -2.9240 -1.6663 -1.6654 -1.6627 -1.6615 -1.3508 -1.3476 -1.2871 -1.2818 -1.0592 -1.0565 -0.3264 -0.3164 0.1664 0.1695 1.7332 1.7426 1.7931 1.7987 1.8467 1.8566 9.7829 9.7843 10.0325 10.0331 11.0967 11.0988 11.1456 11.1663 k = 0.5000-0.2624 0.4268 ( 3372 PWs) bands (ev): -21.3454 -21.3452 -17.8772 -17.8760 -17.4932 -17.4918 -17.4889 -17.4881 -9.3110 -9.3097 -7.3802 -7.3782 -6.7699 -6.7666 -6.7435 -6.7421 -3.7149 -3.7079 -3.2477 -3.2441 -2.9226 -2.9207 -1.6721 -1.6702 -1.6612 -1.6588 -1.3625 -1.3565 -1.2963 -1.2863 -1.0405 -1.0351 -0.3344 -0.3145 0.1705 0.1768 1.7259 1.7425 1.7910 1.7983 1.8411 1.8625 9.7870 9.7900 10.0348 10.0361 11.0900 11.0942 11.1185 11.1474 k = 0.5000-0.2493 0.4361 ( 3362 PWs) bands (ev): -21.3455 -21.3451 -17.8775 -17.8757 -17.4936 -17.4915 -17.4891 -17.4880 -9.3113 -9.3093 -7.3799 -7.3769 -6.7714 -6.7663 -6.7442 -6.7421 -3.7152 -3.7047 -3.2515 -3.2462 -2.9183 -2.9154 -1.6826 -1.6796 -1.6578 -1.6542 -1.3811 -1.3737 -1.3023 -1.2893 -1.0142 -1.0060 -0.3444 -0.3146 0.1784 0.1878 1.7179 1.7382 1.7906 1.7941 1.8350 1.8698 9.7945 9.7988 10.0389 10.0408 11.0790 11.0860 11.0886 11.1187 k = 0.5000-0.2362 0.4454 ( 3364 PWs) bands (ev): -21.3455 -21.3450 -17.8778 -17.8754 -17.4939 -17.4912 -17.4894 -17.4878 -9.3116 -9.3090 -7.3794 -7.3754 -6.7732 -6.7662 -6.7453 -6.7422 -3.7149 -3.7008 -3.2564 -3.2495 -2.9121 -2.9082 -1.6981 -1.6937 -1.6531 -1.6480 -1.4036 -1.3960 -1.3038 -1.2892 -0.9842 -0.9732 -0.3564 -0.3167 0.1899 0.2026 1.7093 1.7305 1.7860 1.7899 1.8297 1.8784 9.8051 9.8109 10.0447 10.0473 11.0540 11.0677 11.0744 11.0862 k = 0.5000-0.2231 0.4546 ( 3358 PWs) bands (ev): -21.3456 -21.3450 -17.8780 -17.8750 -17.4943 -17.4909 -17.4896 -17.4876 -9.3119 -9.3086 -7.3785 -7.3735 -6.7752 -6.7662 -6.7465 -6.7422 -3.7140 -3.6965 -3.2623 -3.2540 -2.9039 -2.8991 -1.7191 -1.7130 -1.6472 -1.6404 -1.4267 -1.4189 -1.3022 -1.2864 -0.9528 -0.9391 -0.3702 -0.3207 0.2051 0.2209 1.7003 1.7204 1.7742 1.7854 1.8275 1.8879 9.8188 9.8261 10.0523 10.0555 11.0208 11.0509 11.0516 11.0599 k = 0.5000-0.2099 0.4639 ( 3362 PWs) bands (ev): -21.3457 -21.3449 -17.8783 -17.8747 -17.4946 -17.4906 -17.4898 -17.4875 -9.3122 -9.3083 -7.3774 -7.3715 -6.7776 -6.7664 -6.7479 -6.7424 -3.7127 -3.6916 -3.2690 -3.2595 -2.8937 -2.8881 -1.7459 -1.7379 -1.6404 -1.6316 -1.4480 -1.4396 -1.2984 -1.2815 -0.9217 -0.9053 -0.3859 -0.3265 0.2239 0.2429 1.6905 1.7086 1.7595 1.7756 1.8295 1.8980 9.8356 9.8443 10.0616 10.0654 10.9863 11.0162 11.0315 11.0422 k = 0.5000-0.1968 0.4732 ( 3362 PWs) bands (ev): -21.3457 -21.3448 -17.8785 -17.8744 -17.4950 -17.4903 -17.4900 -17.4874 -9.3125 -9.3080 -7.3761 -7.3692 -6.7802 -6.7667 -6.7494 -6.7426 -3.7108 -3.6861 -3.2766 -3.2661 -2.8816 -2.8751 -1.7781 -1.7682 -1.6329 -1.6219 -1.4661 -1.4570 -1.2928 -1.2747 -0.8918 -0.8727 -0.4032 -0.3341 0.2461 0.2684 1.6797 1.6953 1.7428 1.7620 1.8342 1.9082 9.8554 9.8655 10.0726 10.0770 10.9512 10.9801 11.0096 11.0217 k = 0.5000-0.1837 0.4825 ( 3370 PWs) bands (ev): -21.3458 -21.3448 -17.8787 -17.8741 -17.4953 -17.4902 -17.4900 -17.4872 -9.3128 -9.3077 -7.3746 -7.3667 -6.7831 -6.7672 -6.7511 -6.7428 -3.7085 -3.6802 -3.2848 -3.2737 -2.8675 -2.8602 -1.8151 -1.8034 -1.6249 -1.6116 -1.4809 -1.4709 -1.2857 -1.2664 -0.8634 -0.8418 -0.4222 -0.3434 0.2717 0.2972 1.6669 1.6800 1.7253 1.7467 1.8401 1.9184 9.8781 9.8895 10.0852 10.0903 10.9156 10.9434 10.9851 10.9985 k = 0.5000-0.1706 0.4918 ( 3366 PWs) bands (ev): -21.3458 -21.3447 -17.8789 -17.8737 -17.4957 -17.4904 -17.4898 -17.4871 -9.3130 -9.3074 -7.3729 -7.3641 -6.7862 -6.7679 -6.7528 -6.7429 -3.7057 -3.6739 -3.2935 -3.2820 -2.8514 -2.8434 -1.8557 -1.8424 -1.6169 -1.6010 -1.4926 -1.4816 -1.2768 -1.2567 -0.8370 -0.8130 -0.4425 -0.3540 0.3004 0.3291 1.6505 1.6622 1.7089 1.7311 1.8466 1.9284 9.9035 9.9163 10.0995 10.1053 10.8796 10.9063 10.9581 10.9728 k = 0.5000-0.1575 0.5010 ( 3370 PWs) bands (ev): -21.3459 -21.3447 -17.8791 -17.8734 -17.4960 -17.4905 -17.4895 -17.4870 -9.3133 -9.3072 -7.3711 -7.3614 -6.7895 -6.7687 -6.7545 -6.7431 -3.7026 -3.6671 -3.3026 -3.2911 -2.8333 -2.8246 -1.8991 -1.8842 -1.6089 -1.5904 -1.5017 -1.4899 -1.2663 -1.2456 -0.8129 -0.7865 -0.4641 -0.3660 0.3318 0.3637 1.6294 1.6412 1.6951 1.7166 1.8531 1.9379 9.9315 9.9457 10.1154 10.1220 10.8434 10.8689 10.9288 10.9445 k = 0.5000-0.1443 0.5103 ( 3372 PWs) bands (ev): -21.3459 -21.3446 -17.8792 -17.8732 -17.4963 -17.4907 -17.4893 -17.4870 -9.3135 -9.3069 -7.3692 -7.3586 -6.7928 -6.7697 -6.7560 -6.7432 -3.6992 -3.6601 -3.3120 -3.3008 -2.8134 -2.8041 -1.9444 -1.9281 -1.6011 -1.5801 -1.5088 -1.4962 -1.2541 -1.2334 -0.7910 -0.7626 -0.4867 -0.3790 0.3656 0.4008 1.6035 1.6169 1.6842 1.7037 1.8595 1.9470 9.9620 9.9775 10.1329 10.1402 10.8069 10.8314 10.8972 10.9138 k = 0.5000-0.1312 0.5196 ( 3382 PWs) bands (ev): -21.3459 -21.3446 -17.8794 -17.8729 -17.4966 -17.4909 -17.4891 -17.4869 -9.3137 -9.3067 -7.3673 -7.3558 -6.7962 -6.7710 -6.7575 -6.7433 -3.6955 -3.6528 -3.3215 -3.3109 -2.7915 -2.7818 -1.9907 -1.9732 -1.5938 -1.5704 -1.5144 -1.5010 -1.2403 -1.2201 -0.7715 -0.7411 -0.5102 -0.3929 0.4014 0.4399 1.5739 1.5896 1.6756 1.6926 1.8656 1.9555 9.9947 10.0115 10.1520 10.1600 10.7704 10.7937 10.8635 10.8808 k = 0.5000-0.1181 0.5289 ( 3378 PWs) bands (ev): -21.3460 -21.3445 -17.8795 -17.8726 -17.4969 -17.4910 -17.4889 -17.4869 -9.3139 -9.3065 -7.3654 -7.3530 -6.7995 -6.7723 -6.7587 -6.7433 -3.6917 -3.6452 -3.3309 -3.3211 -2.7679 -2.7577 -2.0376 -2.0190 -1.5871 -1.5616 -1.5188 -1.5045 -1.2250 -1.2061 -0.7541 -0.7221 -0.5342 -0.4073 0.4386 0.4805 1.5415 1.5602 1.6686 1.6832 1.8713 1.9634 10.0296 10.0477 10.1725 10.1813 10.7340 10.7561 10.8279 10.8456 k = 0.5000-0.1050 0.5381 ( 3390 PWs) bands (ev): -21.3460 -21.3445 -17.8796 -17.8724 -17.4971 -17.4912 -17.4887 -17.4868 -9.3141 -9.3063 -7.3635 -7.3504 -6.8027 -6.7739 -6.7597 -6.7434 -3.6878 -3.6378 -3.3399 -3.3314 -2.7425 -2.7321 -2.0845 -2.0648 -1.5810 -1.5538 -1.5224 -1.5071 -1.2085 -1.1917 -0.7390 -0.7054 -0.5584 -0.4220 0.4765 0.5219 1.5074 1.5291 1.6628 1.6751 1.8765 1.9706 10.0662 10.0857 10.1945 10.2041 10.6976 10.7186 10.7904 10.8085 k = 0.5000-0.0919 0.5474 ( 3386 PWs) bands (ev): -21.3461 -21.3445 -17.8797 -17.8722 -17.4973 -17.4913 -17.4885 -17.4868 -9.3143 -9.3061 -7.3617 -7.3479 -6.8057 -6.7754 -6.7605 -6.7435 -3.6840 -3.6303 -3.3485 -3.3414 -2.7155 -2.7051 -2.1310 -2.1101 -1.5757 -1.5471 -1.5251 -1.5089 -1.1911 -1.1773 -0.7260 -0.6911 -0.5824 -0.4365 0.5144 0.5637 1.4723 1.4975 1.6579 1.6683 1.8813 1.9770 10.1045 10.1253 10.2179 10.2283 10.6614 10.6813 10.7514 10.7695 k = 0.5000-0.0787 0.5567 ( 3378 PWs) bands (ev): -21.3461 -21.3444 -17.8798 -17.8720 -17.4975 -17.4914 -17.4883 -17.4868 -9.3144 -9.3059 -7.3601 -7.3456 -6.8085 -6.7769 -6.7612 -6.7435 -3.6802 -3.6231 -3.3564 -3.3509 -2.6871 -2.6768 -2.1766 -2.1546 -1.5711 -1.5416 -1.5273 -1.5100 -1.1733 -1.1632 -0.7151 -0.6790 -0.6056 -0.4505 0.5515 0.6048 1.4371 1.4660 1.6539 1.6625 1.8855 1.9827 10.1441 10.1664 10.2426 10.2540 10.6256 10.6442 10.7112 10.7291 k = 0.5000-0.0656 0.5660 ( 3382 PWs) bands (ev): -21.3461 -21.3444 -17.8799 -17.8718 -17.4977 -17.4915 -17.4882 -17.4868 -9.3145 -9.3058 -7.3586 -7.3436 -6.8109 -6.7784 -6.7617 -6.7435 -3.6768 -3.6163 -3.3636 -3.3598 -2.6576 -2.6477 -2.2210 -2.1977 -1.5672 -1.5373 -1.5291 -1.5105 -1.1558 -1.1500 -0.7060 -0.6689 -0.6275 -0.4634 0.5866 0.6442 1.4028 1.4358 1.6505 1.6577 1.8890 1.9875 10.1845 10.2084 10.2685 10.2809 10.5901 10.6075 10.6702 10.6875 k = 0.5000-0.0525 0.5753 ( 3378 PWs) bands (ev): -21.3461 -21.3444 -17.8800 -17.8717 -17.4979 -17.4916 -17.4881 -17.4868 -9.3146 -9.3057 -7.3574 -7.3419 -6.8130 -6.7796 -6.7621 -6.7436 -3.6737 -3.6103 -3.3697 -3.3677 -2.6274 -2.6183 -2.2635 -2.2388 -1.5640 -1.5342 -1.5304 -1.5105 -1.1393 -1.1383 -0.6990 -0.6608 -0.6473 -0.4750 0.6185 0.6806 1.3707 1.4080 1.6478 1.6538 1.8920 1.9916 10.2251 10.2509 10.2955 10.3092 10.5553 10.5713 10.6290 10.6452 k = 0.5000-0.0394 0.5845 ( 3386 PWs) bands (ev): -21.3461 -21.3444 -17.8800 -17.8716 -17.4980 -17.4916 -17.4880 -17.4868 -9.3147 -9.3056 -7.3564 -7.3405 -6.8147 -6.7807 -6.7625 -6.7436 -3.6712 -3.6052 -3.3748 -3.3743 -2.5975 -2.5897 -2.3031 -2.2765 -1.5616 -1.5321 -1.5314 -1.5103 -1.1284 -1.1249 -0.6940 -0.6637 -0.6547 -0.4846 0.6457 0.7123 1.3424 1.3840 1.6456 1.6508 1.8944 1.9947 10.2650 10.2931 10.3234 10.3386 10.5213 10.5357 10.5887 10.6032 k = 0.5000-0.0262 0.5938 ( 3390 PWs) bands (ev): -21.3462 -21.3444 -17.8800 -17.8715 -17.4981 -17.4917 -17.4879 -17.4868 -9.3147 -9.3055 -7.3556 -7.3395 -6.8160 -6.7815 -6.7627 -6.7436 -3.6693 -3.6012 -3.3793 -3.3785 -2.5696 -2.5638 -2.3380 -2.3090 -1.5599 -1.5321 -1.5308 -1.5099 -1.1210 -1.1136 -0.6918 -0.6752 -0.6503 -0.4918 0.6668 0.7374 1.3198 1.3653 1.6441 1.6487 1.8960 1.9969 10.3020 10.3333 10.3517 10.3691 10.4886 10.5006 10.5513 10.5631 k = 0.5000-0.0131 0.6031 ( 3390 PWs) bands (ev): -21.3462 -21.3444 -17.8801 -17.8715 -17.4981 -17.4917 -17.4878 -17.4868 -9.3148 -9.3055 -7.3552 -7.3388 -6.8167 -6.7819 -6.7628 -6.7436 -3.6681 -3.5988 -3.3824 -3.3807 -2.5477 -2.5444 -2.3641 -2.3324 -1.5589 -1.5325 -1.5301 -1.5096 -1.1163 -1.1063 -0.6932 -0.6799 -0.6477 -0.4963 0.6802 0.7536 1.3051 1.3533 1.6433 1.6474 1.8970 1.9983 10.3315 10.3671 10.3786 10.4007 10.4590 10.4664 10.5216 10.5294 k = 0.5000-0.0000 0.6124 ( 3380 PWs) bands (ev): -21.3462 -21.3444 -17.8801 -17.8714 -17.4981 -17.4917 -17.4878 -17.4868 -9.3148 -9.3055 -7.3550 -7.3386 -6.8170 -6.7821 -6.7628 -6.7436 -3.6677 -3.5979 -3.3833 -3.3814 -2.5388 -2.5368 -2.3743 -2.3413 -1.5586 -1.5327 -1.5298 -1.5095 -1.1148 -1.1037 -0.6946 -0.6806 -0.6468 -0.4978 0.6848 0.7592 1.3000 1.3492 1.6430 1.6470 1.8974 1.9988 10.3438 10.3823 10.3940 10.4330 10.4332 10.4428 10.5093 10.5143 k = 0.5000-0.0000 0.6124 ( 3380 PWs) bands (ev): -21.3462 -21.3444 -17.8801 -17.8714 -17.4981 -17.4917 -17.4878 -17.4868 -9.3148 -9.3055 -7.3550 -7.3386 -6.8170 -6.7821 -6.7628 -6.7436 -3.6677 -3.5979 -3.3833 -3.3814 -2.5388 -2.5368 -2.3743 -2.3413 -1.5586 -1.5327 -1.5298 -1.5095 -1.1148 -1.1037 -0.6946 -0.6806 -0.6468 -0.4978 0.6848 0.7592 1.3000 1.3492 1.6430 1.6470 1.8974 1.9988 10.3438 10.3823 10.3940 10.4330 10.4332 10.4428 10.5093 10.5143 k = 0.4922 0.0135 0.6124 ( 3388 PWs) bands (ev): -21.3462 -21.3444 -17.8800 -17.8713 -17.4981 -17.4917 -17.4878 -17.4868 -9.3152 -9.3059 -7.3548 -7.3385 -6.8169 -6.7820 -6.7628 -6.7436 -3.6679 -3.5984 -3.3838 -3.3809 -2.5430 -2.5402 -2.3694 -2.3370 -1.5773 -1.5605 -1.5034 -1.4915 -1.1158 -1.1052 -0.6939 -0.6789 -0.6450 -0.4969 0.6828 0.7567 1.3027 1.3515 1.6427 1.6473 1.8973 1.9985 10.3271 10.3495 10.4076 10.4150 10.4512 10.4589 10.5156 10.5223 k = 0.4844 0.0271 0.6124 ( 3388 PWs) bands (ev): -21.3463 -21.3445 -17.8796 -17.8711 -17.4981 -17.4917 -17.4878 -17.4867 -9.3163 -9.3070 -7.3543 -7.3380 -6.8165 -6.7818 -6.7627 -6.7436 -3.6686 -3.5999 -3.3844 -3.3796 -2.5537 -2.5494 -2.3562 -2.3252 -1.6074 -1.5915 -1.4753 -1.4646 -1.1188 -1.1095 -0.6918 -0.6744 -0.6396 -0.4941 0.6767 0.7490 1.3108 1.3583 1.6420 1.6481 1.8969 1.9978 10.2892 10.3041 10.4039 10.4091 10.4682 10.4814 10.5335 10.5423 k = 0.4766 0.0406 0.6124 ( 3388 PWs) bands (ev): -21.3465 -21.3447 -17.8792 -17.8706 -17.4981 -17.4917 -17.4877 -17.4866 -9.3179 -9.3088 -7.3534 -7.3373 -6.8159 -6.7813 -6.7624 -6.7436 -3.6696 -3.6022 -3.3847 -3.3780 -2.5679 -2.5622 -2.3375 -2.3081 -1.6386 -1.6225 -1.4490 -1.4389 -1.1238 -1.1161 -0.6880 -0.6675 -0.6309 -0.4900 0.6668 0.7366 1.3238 1.3694 1.6410 1.6490 1.8964 1.9965 10.2444 10.2565 10.3961 10.4039 10.4818 10.4946 10.5611 10.5693 k = 0.4688 0.0541 0.6124 ( 3380 PWs) bands (ev): -21.3467 -21.3450 -17.8786 -17.8701 -17.4980 -17.4918 -17.4877 -17.4864 -9.3200 -9.3110 -7.3524 -7.3365 -6.8152 -6.7808 -6.7620 -6.7435 -3.6709 -3.6054 -3.3847 -3.3761 -2.5836 -2.5765 -2.3155 -2.2875 -1.6695 -1.6532 -1.4251 -1.4155 -1.1306 -1.1244 -0.6825 -0.6586 -0.6194 -0.4848 0.6535 0.7201 1.3407 1.3843 1.6398 1.6501 1.8958 1.9948 10.1981 10.2090 10.3884 10.3969 10.4915 10.5023 10.5922 10.5988 k = 0.4609 0.0677 0.6124 ( 3386 PWs) bands (ev): -21.3470 -21.3453 -17.8779 -17.8695 -17.4980 -17.4918 -17.4876 -17.4863 -9.3225 -9.3135 -7.3513 -7.3355 -6.8144 -6.7802 -6.7615 -6.7435 -3.6725 -3.6094 -3.3845 -3.3741 -2.5996 -2.5912 -2.2916 -2.2649 -1.6999 -1.6834 -1.4038 -1.3945 -1.1393 -1.1335 -0.6756 -0.6476 -0.6061 -0.4790 0.6374 0.7003 1.3605 1.4022 1.6385 1.6513 1.8950 1.9925 10.1524 10.1625 10.3805 10.3892 10.4986 10.5075 10.6228 10.6278 k = 0.4531 0.0812 0.6124 ( 3378 PWs) bands (ev): -21.3473 -21.3456 -17.8771 -17.8689 -17.4980 -17.4918 -17.4875 -17.4861 -9.3251 -9.3163 -7.3500 -7.3346 -6.8134 -6.7795 -6.7609 -6.7435 -3.6742 -3.6139 -3.3840 -3.3719 -2.6149 -2.6054 -2.2665 -2.2408 -1.7296 -1.7130 -1.3849 -1.3759 -1.1497 -1.1428 -0.6676 -0.6346 -0.5915 -0.4728 0.6192 0.6783 1.3822 1.4226 1.6370 1.6524 1.8943 1.9897 10.1085 10.1179 10.3725 10.3811 10.5039 10.5112 10.6518 10.6553 k = 0.4453 0.0947 0.6124 ( 3374 PWs) bands (ev): -21.3476 -21.3459 -17.8763 -17.8682 -17.4979 -17.4919 -17.4874 -17.4858 -9.3279 -9.3192 -7.3487 -7.3336 -6.8124 -6.7788 -6.7601 -6.7435 -3.6760 -3.6189 -3.3832 -3.3697 -2.6292 -2.6186 -2.2408 -2.2160 -1.7587 -1.7420 -1.3683 -1.3598 -1.1612 -1.1522 -0.6589 -0.6198 -0.5762 -0.4665 0.5995 0.6547 1.4048 1.4445 1.6353 1.6534 1.8936 1.9864 10.0670 10.0758 10.3645 10.3730 10.5079 10.5137 10.6787 10.6808 k = 0.4375 0.1083 0.6124 ( 3376 PWs) bands (ev): -21.3479 -21.3462 -17.8755 -17.8675 -17.4979 -17.4919 -17.4872 -17.4856 -9.3307 -9.3222 -7.3475 -7.3326 -6.8114 -6.7781 -6.7592 -6.7435 -3.6777 -3.6243 -3.3823 -3.3674 -2.6422 -2.6307 -2.2147 -2.1906 -1.7873 -1.7704 -1.3538 -1.3458 -1.1732 -1.1618 -0.6500 -0.6038 -0.5607 -0.4603 0.5793 0.6306 1.4276 1.4670 1.6335 1.6543 1.8930 1.9826 10.0285 10.0365 10.3568 10.3651 10.5108 10.5155 10.7033 10.7041 k = 0.4297 0.1218 0.6124 ( 3378 PWs) bands (ev): -21.3482 -21.3465 -17.8748 -17.8668 -17.4979 -17.4920 -17.4871 -17.4854 -9.3334 -9.3250 -7.3463 -7.3317 -6.8105 -6.7775 -6.7581 -6.7437 -3.6794 -3.6297 -3.3813 -3.3652 -2.6538 -2.6415 -2.1884 -2.1650 -1.8153 -1.7983 -1.3413 -1.3338 -1.1852 -1.1713 -0.6412 -0.5870 -0.5455 -0.4543 0.5592 0.6066 1.4499 1.4894 1.6314 1.6549 1.8928 1.9784 9.9933 10.0007 10.3496 10.3577 10.5128 10.5167 10.7251 10.7256 k = 0.4219 0.1353 0.6124 ( 3377 PWs) bands (ev): -21.3484 -21.3468 -17.8741 -17.8662 -17.4978 -17.4920 -17.4870 -17.4852 -9.3359 -9.3277 -7.3452 -7.3309 -6.8096 -6.7770 -6.7569 -6.7439 -3.6808 -3.6349 -3.3803 -3.3630 -2.6640 -2.6509 -2.1621 -2.1392 -1.8427 -1.8256 -1.3303 -1.3233 -1.1969 -1.1806 -0.6330 -0.5703 -0.5310 -0.4488 0.5400 0.5837 1.4710 1.5109 1.6290 1.6553 1.8928 1.9738 9.9621 9.9688 10.3430 10.3509 10.5142 10.5174 10.7439 10.7454 k = 0.4141 0.1488 0.6124 ( 3375 PWs) bands (ev): -21.3487 -21.3471 -17.8734 -17.8657 -17.4978 -17.4920 -17.4869 -17.4850 -9.3381 -9.3301 -7.3442 -7.3302 -6.8088 -6.7765 -6.7557 -6.7442 -3.6820 -3.6399 -3.3792 -3.3611 -2.6726 -2.6589 -2.1358 -2.1133 -1.8697 -1.8525 -1.3209 -1.3140 -1.2082 -1.1893 -0.6256 -0.5542 -0.5177 -0.4438 0.5224 0.5624 1.4904 1.5307 1.6264 1.6552 1.8933 1.9690 9.9351 9.9410 10.3372 10.3450 10.5150 10.5178 10.7601 10.7627 k = 0.4062 0.1624 0.6124 ( 3387 PWs) bands (ev): -21.3489 -21.3473 -17.8729 -17.8652 -17.4978 -17.4921 -17.4868 -17.4849 -9.3401 -9.3321 -7.3434 -7.3297 -6.8081 -6.7761 -6.7545 -6.7447 -3.6829 -3.6445 -3.3784 -3.3595 -2.6797 -2.6654 -2.1097 -2.0876 -1.8962 -1.8791 -1.3131 -1.3057 -1.2189 -1.1972 -0.6193 -0.5396 -0.5061 -0.4394 0.5071 0.5437 1.5077 1.5484 1.6237 1.6547 1.8942 1.9642 9.9125 9.9178 10.3322 10.3399 10.5153 10.5180 10.7737 10.7772 k = 0.3984 0.1759 0.6124 ( 3384 PWs) bands (ev): -21.3491 -21.3475 -17.8724 -17.8649 -17.4978 -17.4921 -17.4867 -17.4848 -9.3416 -9.3338 -7.3427 -7.3292 -6.8076 -6.7758 -6.7532 -6.7451 -3.6835 -3.6482 -3.3776 -3.3582 -2.6852 -2.6705 -2.0838 -2.0619 -1.9223 -1.9052 -1.3068 -1.2981 -1.2286 -1.2040 -0.6143 -0.5272 -0.4967 -0.4358 0.4946 0.5281 1.5222 1.5633 1.6208 1.6538 1.8954 1.9597 9.8948 9.8993 10.3283 10.3359 10.5155 10.5181 10.7846 10.7887 k = 0.3906 0.1894 0.6124 ( 3384 PWs) bands (ev): -21.3492 -21.3477 -17.8721 -17.8646 -17.4978 -17.4921 -17.4866 -17.4847 -9.3428 -9.3350 -7.3422 -7.3289 -6.8072 -6.7756 -6.7521 -6.7457 -3.6839 -3.6511 -3.3771 -3.3572 -2.6891 -2.6741 -2.0584 -2.0364 -1.9478 -1.9309 -1.3022 -1.2914 -1.2370 -1.2093 -0.6106 -0.5178 -0.4898 -0.4330 0.4853 0.5163 1.5334 1.5748 1.6182 1.6525 1.8968 1.9559 9.8820 9.8859 10.3254 10.3330 10.5155 10.5182 10.7925 10.7972 k = 0.3828 0.2030 0.6124 ( 3383 PWs) bands (ev): -21.3493 -21.3477 -17.8719 -17.8644 -17.4978 -17.4921 -17.4866 -17.4846 -9.3435 -9.3357 -7.3419 -7.3287 -6.8070 -6.7755 -6.7513 -6.7461 -3.6840 -3.6530 -3.3767 -3.3566 -2.6915 -2.6763 -2.0347 -2.0115 -1.9716 -1.9558 -1.2993 -1.2863 -1.2431 -1.2127 -0.6084 -0.5119 -0.4855 -0.4312 0.4797 0.5090 1.5406 1.5822 1.6163 1.6514 1.8978 1.9533 9.8743 9.8778 10.3236 10.3312 10.5155 10.5182 10.7973 10.8024 k = 0.3750 0.2165 0.6124 ( 3362 PWs) bands (ev): -21.3493 -21.3478 -17.8718 -17.8644 -17.4977 -17.4921 -17.4866 -17.4846 -9.3437 -9.3360 -7.3418 -7.3286 -6.8068 -6.7754 -6.7509 -6.7462 -3.6840 -3.6535 -3.3765 -3.3563 -2.6922 -2.6770 -2.0208 -1.9932 -1.9865 -1.9729 -1.2983 -1.2842 -1.2454 -1.2138 -0.6077 -0.5098 -0.4841 -0.4306 0.4778 0.5066 1.5431 1.5848 1.6156 1.6510 1.8983 1.9525 9.8718 9.8751 10.3231 10.3306 10.5154 10.5182 10.7990 10.8041 k = 0.3750 0.2165 0.6124 ( 3362 PWs) bands (ev): -21.3493 -21.3478 -17.8718 -17.8644 -17.4977 -17.4921 -17.4866 -17.4846 -9.3437 -9.3360 -7.3418 -7.3286 -6.8068 -6.7754 -6.7509 -6.7462 -3.6840 -3.6535 -3.3765 -3.3563 -2.6922 -2.6770 -2.0208 -1.9932 -1.9865 -1.9729 -1.2983 -1.2842 -1.2454 -1.2138 -0.6077 -0.5098 -0.4841 -0.4306 0.4778 0.5066 1.5431 1.5848 1.6156 1.6510 1.8983 1.9525 9.8718 9.8751 10.3231 10.3306 10.5154 10.5182 10.7990 10.8041 k = 0.3670 0.2119 0.5993 ( 3376 PWs) bands (ev): -21.3502 -21.3486 -17.8698 -17.8621 -17.4979 -17.4922 -17.4861 -17.4842 -9.3515 -9.3436 -7.3352 -7.3215 -6.8091 -6.7765 -6.7511 -6.7460 -3.6808 -3.6508 -3.3899 -3.3693 -2.6625 -2.6475 -2.0590 -2.0362 -2.0277 -2.0079 -1.2666 -1.2529 -1.2405 -1.2084 -0.6169 -0.4769 -0.4490 -0.4315 0.5078 0.5364 1.5270 1.5732 1.6039 1.6369 1.9041 1.9576 9.8581 9.8611 10.3387 10.3467 10.4661 10.4706 10.7796 10.7855 k = 0.3590 0.2073 0.5863 ( 3380 PWs) bands (ev): -21.3512 -21.3496 -17.8674 -17.8595 -17.4980 -17.4923 -17.4856 -17.4838 -9.3604 -9.3524 -7.3280 -7.3138 -6.8109 -6.7773 -6.7512 -6.7457 -3.6778 -3.6486 -3.4033 -3.3825 -2.6321 -2.6180 -2.0973 -2.0791 -2.0693 -2.0422 -1.2457 -1.2255 -1.2254 -1.2007 -0.6241 -0.4608 -0.4125 -0.4114 0.5375 0.5657 1.5126 1.5619 1.5922 1.6242 1.9096 1.9624 9.8390 9.8421 10.3180 10.3238 10.4499 10.4583 10.7639 10.7705 k = 0.3511 0.2027 0.5733 ( 3380 PWs) bands (ev): -21.3524 -21.3508 -17.8646 -17.8565 -17.4981 -17.4924 -17.4851 -17.4834 -9.3707 -9.3626 -7.3200 -7.3054 -6.8125 -6.7781 -6.7513 -6.7454 -3.6748 -3.6466 -3.4168 -3.3958 -2.6017 -2.5892 -2.1352 -2.1219 -2.1110 -2.0756 -1.2447 -1.2184 -1.1919 -1.1752 -0.6268 -0.4564 -0.3784 -0.3730 0.5667 0.5942 1.4999 1.5509 1.5804 1.6131 1.9148 1.9669 9.8137 9.8170 10.2660 10.2697 10.4611 10.4730 10.7535 10.7611 k = 0.3431 0.1981 0.5603 ( 3374 PWs) bands (ev): -21.3537 -21.3521 -17.8613 -17.8532 -17.4981 -17.4924 -17.4846 -17.4829 -9.3824 -9.3743 -7.3114 -7.2964 -6.8135 -6.7785 -6.7512 -6.7450 -3.6720 -3.6451 -3.4301 -3.4091 -2.5721 -2.5623 -2.1721 -2.1645 -2.1526 -2.1075 -1.2485 -1.2235 -1.1551 -1.1401 -0.6237 -0.4513 -0.3407 -0.3342 0.5953 0.6218 1.4891 1.5403 1.5683 1.6038 1.9196 1.9709 9.7808 9.7848 10.2057 10.2078 10.4757 10.4900 10.7512 10.7594 k = 0.3351 0.1935 0.5472 ( 3370 PWs) bands (ev): -21.3552 -21.3536 -17.8575 -17.8493 -17.4980 -17.4923 -17.4841 -17.4825 -9.3955 -9.3874 -7.3020 -7.2866 -6.8142 -6.7787 -6.7511 -6.7446 -3.6694 -3.6440 -3.4434 -3.4225 -2.5446 -2.5385 -2.2081 -2.2061 -2.1940 -2.1370 -1.2552 -1.2334 -1.1169 -1.1026 -0.6145 -0.4425 -0.3023 -0.2953 0.6232 0.6484 1.4801 1.5302 1.5559 1.5965 1.9241 1.9744 9.7392 9.7441 10.1461 10.1467 10.4840 10.4998 10.7590 10.7675 k = 0.3271 0.1889 0.5342 ( 3370 PWs) bands (ev): -21.3569 -21.3553 -17.8533 -17.8451 -17.4979 -17.4922 -17.4836 -17.4820 -9.4100 -9.4020 -7.2918 -7.2762 -6.8145 -6.7787 -6.7510 -6.7442 -3.6669 -3.6433 -3.4565 -3.4359 -2.5210 -2.5196 -2.2493 -2.2388 -2.2351 -2.1632 -1.2639 -1.2460 -1.0778 -1.0639 -0.5991 -0.4291 -0.2637 -0.2565 0.6501 0.6737 1.4726 1.5209 1.5434 1.5911 1.9281 1.9775 9.6880 9.6940 10.0896 10.0907 10.4831 10.4998 10.7778 10.7858 k = 0.3191 0.1843 0.5212 ( 3382 PWs) bands (ev): -21.3588 -21.3572 -17.8485 -17.8403 -17.4977 -17.4921 -17.4830 -17.4816 -9.4261 -9.4181 -7.2809 -7.2650 -6.8145 -6.7785 -6.7508 -6.7438 -3.6647 -3.6430 -3.4694 -3.4492 -2.5074 -2.5039 -2.2909 -2.2759 -2.2658 -2.1850 -1.2737 -1.2598 -1.0378 -1.0243 -0.5779 -0.4110 -0.2250 -0.2178 0.6761 0.6978 1.4662 1.5129 1.5307 1.5877 1.9317 1.9802 9.6272 9.6342 10.0380 10.0407 10.4738 10.4906 10.8055 10.8128 k = 0.3112 0.1797 0.5081 ( 3390 PWs) bands (ev): -21.3609 -21.3593 -17.8432 -17.8350 -17.4975 -17.4920 -17.4825 -17.4811 -9.4437 -9.4358 -7.2693 -7.2531 -6.8140 -6.7779 -6.7506 -6.7434 -3.6626 -3.6431 -3.4820 -3.4624 -2.5034 -2.4966 -2.3322 -2.3162 -2.2852 -2.2018 -1.2835 -1.2729 -0.9971 -0.9838 -0.5514 -0.3883 -0.1864 -0.1792 0.7011 0.7206 1.4601 1.5069 1.5179 1.5860 1.9348 1.9823 9.5577 9.5654 9.9919 9.9958 10.4578 10.4747 10.8395 10.8460 k = 0.3032 0.1750 0.4951 ( 3388 PWs) bands (ev): -21.3632 -21.3616 -17.8374 -17.8292 -17.4973 -17.4918 -17.4819 -17.4806 -9.4627 -9.4551 -7.2569 -7.2406 -6.8131 -6.7771 -6.7504 -6.7429 -3.6606 -3.6436 -3.4942 -3.4754 -2.5083 -2.5013 -2.3729 -2.3561 -2.2956 -2.2141 -1.2916 -1.2834 -0.9558 -0.9428 -0.5202 -0.3612 -0.1479 -0.1407 0.7250 0.7421 1.4536 1.5036 1.5052 1.5861 1.9375 1.9839 9.4810 9.4892 9.9505 9.9553 10.4371 10.4539 10.8769 10.8831 k = 0.2952 0.1704 0.4821 ( 3396 PWs) bands (ev): -21.3657 -21.3641 -17.8309 -17.8229 -17.4970 -17.4915 -17.4813 -17.4801 -9.4832 -9.4758 -7.2438 -7.2273 -6.8120 -6.7760 -6.7501 -6.7425 -3.6589 -3.6445 -3.5060 -3.4882 -2.5214 -2.5174 -2.4132 -2.3955 -2.2990 -2.2237 -1.2967 -1.2894 -0.9141 -0.9013 -0.4850 -0.3300 -0.1094 -0.1023 0.7478 0.7624 1.4462 1.4926 1.5034 1.5878 1.9398 1.9850 9.3987 9.4071 9.9126 9.9180 10.4129 10.4298 10.9140 10.9219 k = 0.2872 0.1658 0.4691 ( 3394 PWs) bands (ev): -21.3683 -21.3669 -17.8239 -17.8160 -17.4966 -17.4912 -17.4808 -17.4796 -9.5052 -9.4980 -7.2300 -7.2134 -6.8104 -6.7748 -6.7499 -6.7420 -3.6573 -3.6458 -3.5174 -3.5007 -2.5416 -2.5411 -2.4528 -2.4343 -2.2995 -2.2332 -1.2971 -1.2893 -0.8721 -0.8594 -0.4460 -0.2950 -0.0710 -0.0640 0.7696 0.7814 1.4377 1.4800 1.5062 1.5911 1.9415 1.9856 9.3124 9.3208 9.8772 9.8829 10.3862 10.4032 10.9216 10.9286 k = 0.2793 0.1612 0.4560 ( 3402 PWs) bands (ev): -21.3712 -21.3698 -17.8163 -17.8085 -17.4962 -17.4909 -17.4802 -17.4790 -9.5286 -9.5216 -7.2156 -7.1988 -6.8086 -6.7733 -6.7496 -6.7416 -3.6559 -3.6475 -3.5282 -3.5130 -2.5707 -2.5655 -2.4919 -2.4725 -2.3012 -2.2452 -1.2915 -1.2817 -0.8299 -0.8173 -0.4039 -0.2566 -0.0326 -0.0258 0.7903 0.7992 1.4283 1.4674 1.5116 1.5957 1.9427 1.9856 9.2232 9.2315 9.8433 9.8491 10.3577 10.3746 10.8870 10.8901 k = 0.2713 0.1566 0.4430 ( 3394 PWs) bands (ev): -21.3743 -21.3729 -17.8081 -17.8005 -17.4957 -17.4906 -17.4796 -17.4785 -9.5532 -9.5465 -7.2005 -7.1836 -6.8065 -6.7716 -6.7492 -6.7411 -3.6546 -3.6496 -3.5385 -3.5249 -2.6024 -2.5930 -2.5302 -2.5101 -2.3070 -2.2614 -1.2789 -1.2661 -0.7875 -0.7750 -0.3589 -0.2151 0.0058 0.0125 0.8100 0.8160 1.4185 1.4550 1.5191 1.6015 1.9434 1.9851 9.1323 9.1404 9.8105 9.8160 10.3277 10.3447 10.8468 10.8489 k = 0.2633 0.1520 0.4300 ( 3398 PWs) bands (ev): -21.3776 -21.3763 -17.7994 -17.7920 -17.4952 -17.4902 -17.4790 -17.4780 -9.5792 -9.5728 -7.1849 -7.1679 -6.8043 -6.7698 -6.7489 -6.7406 -3.6535 -3.6521 -3.5483 -3.5365 -2.6354 -2.6226 -2.5680 -2.5471 -2.3184 -2.2829 -1.2589 -1.2423 -0.7452 -0.7328 -0.3113 -0.1708 0.0442 0.0507 0.8289 0.8319 1.4083 1.4426 1.5283 1.6084 1.9436 1.9839 9.0402 9.0480 9.7781 9.7834 10.2967 10.3135 10.8039 10.8055 k = 0.2553 0.1474 0.4169 ( 3398 PWs) bands (ev): -21.3811 -21.3798 -17.7901 -17.7829 -17.4947 -17.4898 -17.4784 -17.4774 -9.6063 -9.6002 -7.1687 -7.1517 -6.8019 -6.7679 -6.7486 -6.7401 -3.6549 -3.6525 -3.5574 -3.5476 -2.6689 -2.6533 -2.6049 -2.5834 -2.3359 -2.3098 -1.2312 -1.2106 -0.7030 -0.6907 -0.2614 -0.1239 0.0827 0.0889 0.8469 0.8470 1.3979 1.4303 1.5388 1.6162 1.9432 1.9822 8.9476 8.9551 9.7461 9.7510 10.2647 10.2814 10.7590 10.7601 k = 0.2473 0.1428 0.4039 ( 3398 PWs) bands (ev): -21.3847 -21.3835 -17.7802 -17.7732 -17.4941 -17.4893 -17.4778 -17.4769 -9.6345 -9.6287 -7.1520 -7.1349 -6.7993 -6.7659 -6.7482 -6.7397 -3.6581 -3.6517 -3.5660 -3.5585 -2.7023 -2.6845 -2.6411 -2.6189 -2.3592 -2.3417 -1.1964 -1.1719 -0.6611 -0.6488 -0.2093 -0.0747 0.1214 0.1272 0.8614 0.8643 1.3874 1.4182 1.5502 1.6247 1.9422 1.9798 8.8550 8.8622 9.7141 9.7185 10.2321 10.2485 10.7122 10.7130 k = 0.2394 0.1382 0.3909 ( 3398 PWs) bands (ev): -21.3885 -21.3874 -17.7698 -17.7631 -17.4935 -17.4889 -17.4772 -17.4764 -9.6636 -9.6582 -7.1350 -7.1178 -6.7966 -6.7639 -6.7478 -6.7392 -3.6617 -3.6510 -3.5740 -3.5690 -2.7355 -2.7160 -2.6766 -2.6537 -2.3880 -2.3779 -1.1552 -1.1270 -0.6194 -0.6072 -0.1553 -0.0235 0.1601 0.1656 0.8754 0.8810 1.3769 1.4062 1.5623 1.6337 1.9406 1.9768 8.7628 8.7696 9.6822 9.6860 10.1990 10.2150 10.6637 10.6642 k = 0.2314 0.1336 0.3778 ( 3398 PWs) bands (ev): -21.3925 -21.3914 -17.7589 -17.7525 -17.4929 -17.4884 -17.4766 -17.4758 -9.6936 -9.6886 -7.1175 -7.1004 -6.7938 -6.7618 -6.7475 -6.7387 -3.6656 -3.6505 -3.5815 -3.5791 -2.7681 -2.7473 -2.7112 -2.6877 -2.4212 -2.4175 -1.1083 -1.0771 -0.5783 -0.5660 -0.0994 0.0297 0.1990 0.2042 0.8891 0.8972 1.3663 1.3942 1.5748 1.6430 1.9383 1.9731 8.6712 8.6777 9.6502 9.6533 10.1656 10.1811 10.6137 10.6140 k = 0.2234 0.1290 0.3648 ( 3399 PWs) bands (ev): -21.3966 -21.3956 -17.7476 -17.7414 -17.4923 -17.4879 -17.4760 -17.4753 -9.7244 -9.7197 -7.0998 -7.0827 -6.7910 -6.7597 -6.7471 -6.7382 -3.6697 -3.6502 -3.5887 -3.5884 -2.8001 -2.7783 -2.7450 -2.7209 -2.4598 -2.4582 -1.0568 -1.0231 -0.5377 -0.5254 -0.0418 0.0845 0.2382 0.2429 0.9025 0.9131 1.3558 1.3824 1.5875 1.6525 1.9354 1.9688 8.5805 8.5867 9.6181 9.6205 10.1320 10.1469 10.5625 10.5626 k = 0.2154 0.1244 0.3518 ( 3401 PWs) bands (ev): -21.4008 -21.3999 -17.7358 -17.7299 -17.4917 -17.4874 -17.4754 -17.4747 -9.7558 -9.7514 -7.0818 -7.0647 -6.7881 -6.7575 -6.7468 -6.7378 -3.6741 -3.6500 -3.5980 -3.5949 -2.8313 -2.8088 -2.7779 -2.7533 -2.5039 -2.4979 -1.0015 -0.9659 -0.4977 -0.4855 0.0173 0.1408 0.2776 0.2818 0.9160 0.9288 1.3453 1.3708 1.6001 1.6619 1.9319 1.9637 8.4911 8.4969 9.5859 9.5876 10.0983 10.1125 10.5101 10.5103 k = 0.2074 0.1198 0.3388 ( 3393 PWs) bands (ev): -21.4052 -21.4043 -17.7236 -17.7180 -17.4910 -17.4869 -17.4748 -17.4742 -9.7876 -9.7836 -7.0637 -7.0466 -6.7853 -6.7555 -6.7464 -6.7373 -3.6785 -3.6500 -3.6068 -3.6010 -2.8615 -2.8387 -2.8099 -2.7848 -2.5492 -2.5397 -0.9432 -0.9064 -0.4585 -0.4463 0.0779 0.1985 0.3172 0.3209 0.9297 0.9445 1.3350 1.3593 1.6125 1.6711 1.9277 1.9580 8.4030 8.4084 9.5536 9.5546 10.0646 10.0781 10.4569 10.4572 k = 0.1995 0.1152 0.3257 ( 3393 PWs) bands (ev): -21.4096 -21.4088 -17.7111 -17.7058 -17.4903 -17.4864 -17.4742 -17.4737 -9.8198 -9.8161 -7.0455 -7.0284 -6.7825 -6.7535 -6.7460 -6.7368 -3.6830 -3.6503 -3.6152 -3.6067 -2.8909 -2.8678 -2.8410 -2.8154 -2.5952 -2.5829 -0.8828 -0.8453 -0.4201 -0.4080 0.1398 0.2572 0.3572 0.3602 0.9437 0.9602 1.3247 1.3480 1.6245 1.6799 1.9228 1.9515 8.3164 8.3215 9.5212 9.5215 10.0311 10.0438 10.4031 10.4037 k = 0.1915 0.1106 0.3127 ( 3397 PWs) bands (ev): -21.4141 -21.4134 -17.6983 -17.6932 -17.4897 -17.4859 -17.4737 -17.4731 -9.8523 -9.8489 -7.0272 -7.0103 -6.7798 -6.7516 -6.7457 -6.7364 -3.6875 -3.6507 -3.6231 -3.6123 -2.9193 -2.8962 -2.8711 -2.8451 -2.6412 -2.6270 -0.8210 -0.7833 -0.3827 -0.3706 0.2027 0.3166 0.3976 0.3998 0.9581 0.9762 1.3146 1.3368 1.6358 1.6882 1.9171 1.9443 8.2316 8.2363 9.4883 9.4887 9.9979 10.0096 10.3491 10.3498 k = 0.1835 0.1059 0.2997 ( 3397 PWs) bands (ev): -21.4187 -21.4180 -17.6853 -17.6805 -17.4890 -17.4854 -17.4731 -17.4726 -9.8848 -9.8818 -7.0089 -6.9922 -6.7772 -6.7498 -6.7453 -6.7360 -3.6919 -3.6514 -3.6305 -3.6176 -2.9466 -2.9238 -2.9003 -2.8738 -2.6869 -2.6712 -0.7584 -0.7209 -0.3463 -0.3342 0.2665 0.3764 0.4385 0.4396 0.9734 0.9926 1.3046 1.3259 1.6465 1.6959 1.9108 1.9363 8.1486 8.1530 9.4551 9.4562 9.9650 9.9757 10.2949 10.2958 k = 0.1755 0.1013 0.2866 ( 3399 PWs) bands (ev): -21.4232 -21.4227 -17.6721 -17.6676 -17.4883 -17.4849 -17.4725 -17.4721 -9.9173 -9.9145 -6.9908 -6.9742 -6.7747 -6.7481 -6.7450 -6.7355 -3.6962 -3.6524 -3.6374 -3.6229 -2.9729 -2.9504 -2.9285 -2.9015 -2.7318 -2.7152 -0.6955 -0.6588 -0.3110 -0.2990 0.3309 0.4357 0.4798 0.4805 0.9896 1.0096 1.2947 1.3151 1.6562 1.7028 1.9037 1.9276 8.0676 8.0717 9.4219 9.4237 9.9325 9.9423 10.2410 10.2419 k = 0.1676 0.0967 0.2736 ( 3409 PWs) bands (ev): -21.4278 -21.4273 -17.6588 -17.6546 -17.4876 -17.4844 -17.4720 -17.4716 -9.9495 -9.9471 -6.9728 -6.9564 -6.7723 -6.7465 -6.7447 -6.7352 -3.7003 -3.6540 -3.6437 -3.6281 -2.9981 -2.9762 -2.9557 -2.9283 -2.7757 -2.7587 -0.6330 -0.5974 -0.2768 -0.2650 0.3955 0.4928 0.5202 0.5246 1.0071 1.0275 1.2850 1.3046 1.6651 1.7088 1.8958 1.9181 7.9887 7.9925 9.3887 9.3911 9.9005 9.9093 10.1874 10.1885 k = 0.1596 0.0921 0.2606 ( 3407 PWs) bands (ev): -21.4324 -21.4319 -17.6454 -17.6415 -17.4870 -17.4839 -17.4714 -17.4711 -9.9815 -9.9793 -6.9551 -6.9389 -6.7700 -6.7450 -6.7443 -6.7348 -3.7041 -3.6564 -3.6489 -3.6333 -3.0221 -3.0010 -2.9818 -2.9541 -2.8183 -2.8012 -0.5712 -0.5371 -0.2439 -0.2322 0.4599 0.5446 0.5610 0.5738 1.0261 1.0464 1.2756 1.2943 1.6729 1.7138 1.8872 1.9078 7.9121 7.9155 9.3556 9.3584 9.8691 9.8768 10.1345 10.1357 k = 0.1516 0.0875 0.2476 ( 3407 PWs) bands (ev): -21.4369 -21.4365 -17.6321 -17.6284 -17.4863 -17.4834 -17.4709 -17.4706 -10.0130 -10.0111 -6.9377 -6.9218 -6.7678 -6.7441 -6.7435 -6.7344 -3.7076 -3.6601 -3.6527 -3.6385 -3.0450 -3.0247 -3.0068 -2.9788 -2.8594 -2.8426 -0.5106 -0.4783 -0.2122 -0.2007 0.5234 0.5903 0.6022 0.6281 1.0472 1.0667 1.2663 1.2843 1.6795 1.7177 1.8778 1.8967 7.8378 7.8410 9.3224 9.3257 9.8384 9.8450 10.0825 10.0837 k = 0.1436 0.0829 0.2345 ( 3397 PWs) bands (ev): -21.4414 -21.4410 -17.6189 -17.6155 -17.4857 -17.4829 -17.4704 -17.4701 -10.0438 -10.0421 -6.9206 -6.9050 -6.7657 -6.7438 -6.7422 -6.7341 -3.7108 -3.6646 -3.6555 -3.6438 -3.0668 -3.0474 -3.0308 -3.0025 -2.8987 -2.8824 -0.4517 -0.4214 -0.1819 -0.1706 0.5852 0.6331 0.6442 0.6836 1.0708 1.0886 1.2573 1.2747 1.6850 1.7205 1.8677 1.8849 7.7660 7.7689 9.2894 9.2930 9.8084 9.8140 10.0316 10.0329 k = 0.1356 0.0783 0.2215 ( 3401 PWs) bands (ev): -21.4457 -21.4454 -17.6058 -17.6027 -17.4850 -17.4824 -17.4699 -17.4697 -10.0739 -10.0725 -6.9040 -6.8888 -6.7637 -6.7435 -6.7411 -6.7338 -3.7137 -3.6693 -3.6580 -3.6492 -3.0874 -3.0690 -3.0538 -3.0251 -2.9362 -2.9205 -0.3947 -0.3666 -0.1529 -0.1419 0.6438 0.6746 0.6878 0.7378 1.0972 1.1123 1.2485 1.2656 1.6892 1.7221 1.8568 1.8724 7.6969 7.6994 9.2563 9.2601 9.7792 9.7838 9.9821 9.9834 k = 0.1277 0.0737 0.2085 ( 3383 PWs) bands (ev): -21.4500 -21.4497 -17.5930 -17.5901 -17.4844 -17.4819 -17.4694 -17.4692 -10.1031 -10.1019 -6.8877 -6.8730 -6.7619 -6.7432 -6.7401 -6.7335 -3.7162 -3.6738 -3.6606 -3.6546 -3.1068 -3.0895 -3.0755 -3.0466 -2.9716 -2.9568 -0.3399 -0.3142 -0.1253 -0.1145 0.6973 0.7155 0.7340 0.7892 1.1271 1.1383 1.2401 1.2571 1.6921 1.7224 1.8453 1.8591 7.6304 7.6326 9.2233 9.2272 9.7509 9.7544 9.9341 9.9355 k = 0.1197 0.0691 0.1954 ( 3395 PWs) bands (ev): -21.4541 -21.4539 -17.5806 -17.5779 -17.4837 -17.4815 -17.4689 -17.4688 -10.1313 -10.1303 -6.8722 -6.8580 -6.7602 -6.7430 -6.7392 -6.7332 -3.7185 -3.6782 -3.6635 -3.6602 -3.1251 -3.1090 -3.0963 -3.0671 -3.0049 -2.9909 -0.2878 -0.2645 -0.0992 -0.0888 0.7448 0.7559 0.7829 0.8369 1.1607 1.1660 1.2319 1.2499 1.6938 1.7214 1.8330 1.8450 7.5667 7.5687 9.1903 9.1942 9.7234 9.7259 9.8879 9.8893 k = 0.1117 0.0645 0.1824 ( 3407 PWs) bands (ev): -21.4581 -21.4580 -17.5685 -17.5661 -17.4831 -17.4810 -17.4685 -17.4684 -10.1584 -10.1576 -6.8573 -6.8436 -6.7586 -6.7428 -6.7385 -6.7331 -3.7204 -3.6823 -3.6667 -3.6659 -3.1422 -3.1273 -3.1159 -3.0866 -3.0359 -3.0229 -0.2385 -0.2176 -0.0746 -0.0646 0.7880 0.7957 0.8319 0.8804 1.1937 1.1977 1.2244 1.2461 1.6941 1.7191 1.8201 1.8304 7.5060 7.5077 9.1574 9.1611 9.6968 9.6984 9.8437 9.8451 k = 0.1037 0.0599 0.1694 ( 3405 PWs) bands (ev): -21.4619 -21.4618 -17.5570 -17.5547 -17.4824 -17.4805 -17.4681 -17.4680 -10.1842 -10.1835 -6.8431 -6.8300 -6.7571 -6.7425 -6.7378 -6.7329 -3.7219 -3.6861 -3.6716 -3.6701 -3.1581 -3.1444 -3.1344 -3.1049 -3.0647 -3.0524 -0.1922 -0.1737 -0.0515 -0.0419 0.8288 0.8349 0.8785 0.9196 1.2115 1.2158 1.2395 1.2558 1.6933 1.7156 1.8067 1.8151 7.4484 7.4498 9.1247 9.1281 9.6711 9.6718 9.8018 9.8033 k = 0.0957 0.0553 0.1564 ( 3401 PWs) bands (ev): -21.4655 -21.4654 -17.5460 -17.5440 -17.4817 -17.4799 -17.4677 -17.4676 -10.2086 -10.2081 -6.8297 -6.8173 -6.7556 -6.7423 -6.7372 -6.7327 -3.7231 -3.6896 -3.6772 -3.6738 -3.1728 -3.1603 -3.1517 -3.1222 -3.0910 -3.0794 -0.1490 -0.1328 -0.0299 -0.0208 0.8681 0.8733 0.9215 0.9548 1.2091 1.2124 1.2823 1.2855 1.6912 1.7107 1.7929 1.7994 7.3940 7.3952 9.0922 9.0953 9.6462 9.6463 9.7623 9.7639 k = 0.0878 0.0507 0.1433 ( 3403 PWs) bands (ev): -21.4690 -21.4689 -17.5357 -17.5339 -17.4810 -17.4794 -17.4673 -17.4673 -10.2315 -10.2311 -6.8171 -6.8054 -6.7541 -6.7421 -6.7367 -6.7326 -3.7240 -3.6929 -3.6828 -3.6777 -3.1863 -3.1750 -3.1679 -3.1387 -3.1147 -3.1039 -0.1092 -0.0952 -0.0099 -0.0013 0.9061 0.9108 0.9604 0.9863 1.2026 1.2077 1.3234 1.3267 1.6880 1.7046 1.7788 1.7834 7.3430 7.3440 9.0601 9.0628 9.6216 9.6223 9.7256 9.7273 k = 0.0798 0.0461 0.1303 ( 3403 PWs) bands (ev): -21.4721 -21.4721 -17.5261 -17.5246 -17.4802 -17.4787 -17.4670 -17.4670 -10.2529 -10.2525 -6.8053 -6.7946 -6.7527 -6.7419 -6.7362 -6.7325 -3.7245 -3.6959 -3.6882 -3.6818 -3.1985 -3.1884 -3.1829 -3.1545 -3.1358 -3.1258 -0.0727 -0.0608 0.0086 0.0166 0.9428 0.9471 0.9952 1.0149 1.1964 1.2019 1.3641 1.3713 1.6836 1.6972 1.7646 1.7672 7.2955 7.2963 9.0287 9.0310 9.5980 9.5991 9.6920 9.6937 k = 0.0718 0.0415 0.1173 ( 3407 PWs) bands (ev): -21.4750 -21.4750 -17.5175 -17.5161 -17.4792 -17.4779 -17.4667 -17.4667 -10.2725 -10.2722 -6.7946 -6.7849 -6.7511 -6.7416 -6.7358 -6.7325 -3.7248 -3.6988 -3.6934 -3.6861 -3.2096 -3.2006 -3.1968 -3.1700 -3.1537 -3.1451 -0.0398 -0.0298 0.0254 0.0327 0.9780 0.9821 1.0264 1.0408 1.1908 1.1961 1.4053 1.4148 1.6783 1.6888 1.7506 1.7512 7.2518 7.2523 8.9984 9.0002 9.5753 9.5767 9.6617 9.6635 k = 0.0638 0.0369 0.1042 ( 3407 PWs) bands (ev): -21.4777 -21.4777 -17.5098 -17.5087 -17.4781 -17.4770 -17.4664 -17.4664 -10.2903 -10.2901 -6.7850 -6.7764 -6.7494 -6.7412 -6.7354 -6.7325 -3.7248 -3.7014 -3.6983 -3.6904 -3.2194 -3.2115 -3.2093 -3.1850 -3.1687 -3.1619 -0.0104 -0.0020 0.0406 0.0473 1.0115 1.0154 1.0543 1.0645 1.1857 1.1906 1.4457 1.4561 1.6719 1.6793 1.7357 1.7371 7.2119 7.2123 8.9694 8.9708 9.5537 9.5551 9.6351 9.6368 k = 0.0559 0.0322 0.0912 ( 3409 PWs) bands (ev): -21.4801 -21.4801 -17.5033 -17.5024 -17.4766 -17.4758 -17.4662 -17.4662 -10.3062 -10.3061 -6.7765 -6.7694 -6.7474 -6.7407 -6.7351 -6.7325 -3.7245 -3.7039 -3.7027 -3.6947 -3.2280 -3.2212 -3.2205 -3.1993 -3.1811 -3.1762 0.0156 0.0224 0.0541 0.0600 1.0430 1.0466 1.0791 1.0860 1.1813 1.1856 1.4839 1.4942 1.6646 1.6689 1.7213 1.7244 7.1761 7.1764 8.9424 8.9433 9.5333 9.5346 9.6122 9.6138 k = 0.0479 0.0276 0.0782 ( 3413 PWs) bands (ev): -21.4822 -21.4822 -17.4980 -17.4974 -17.4749 -17.4742 -17.4660 -17.4660 -10.3202 -10.3201 -6.7694 -6.7639 -6.7450 -6.7401 -6.7348 -6.7326 -3.7240 -3.7066 -3.7063 -3.6988 -3.2354 -3.2303 -3.2296 -3.2122 -3.1914 -3.1883 0.0380 0.0434 0.0659 0.0711 1.0720 1.0754 1.1010 1.1054 1.1775 1.1812 1.5187 1.5281 1.6563 1.6580 1.7088 1.7130 7.1446 7.1448 8.9176 8.9182 9.5147 9.5157 9.5930 9.5943 k = 0.0399 0.0230 0.0651 ( 3425 PWs) bands (ev): -21.4840 -21.4840 -17.4940 -17.4936 -17.4728 -17.4724 -17.4658 -17.4658 -10.3321 -10.3321 -6.7637 -6.7600 -6.7423 -6.7391 -6.7346 -6.7327 -3.7232 -3.7100 -3.7086 -3.7027 -3.2416 -3.2384 -3.2367 -3.2236 -3.2000 -3.1982 0.0568 0.0611 0.0760 0.0804 1.0978 1.1010 1.1202 1.1227 1.1745 1.1774 1.5492 1.5568 1.6471 1.6472 1.6989 1.7033 7.1175 7.1177 8.8957 8.8960 9.4981 9.4988 9.5773 9.5783 k = 0.0319 0.0184 0.0521 ( 3427 PWs) bands (ev): -21.4854 -21.4854 -17.4912 -17.4910 -17.4706 -17.4703 -17.4656 -17.4656 -10.3420 -10.3420 -6.7594 -6.7574 -6.7394 -6.7379 -6.7343 -6.7328 -3.7222 -3.7127 -3.7106 -3.7062 -3.2466 -3.2448 -3.2425 -3.2332 -3.2071 -3.2062 0.0723 0.0755 0.0844 0.0879 1.1197 1.1224 1.1367 1.1378 1.1724 1.1745 1.5743 1.5798 1.6366 1.6378 1.6921 1.6957 7.0951 7.0952 8.8770 8.8772 9.4841 9.4844 9.5648 9.5655 k = 0.0239 0.0138 0.0391 ( 3427 PWs) bands (ev): -21.4866 -21.4866 -17.4894 -17.4893 -17.4685 -17.4684 -17.4655 -17.4655 -10.3497 -10.3497 -6.7565 -6.7556 -6.7369 -6.7364 -6.7341 -6.7329 -3.7210 -3.7147 -3.7126 -3.7093 -3.2506 -3.2493 -3.2471 -3.2410 -3.2126 -3.2122 0.0843 0.0866 0.0911 0.0937 1.1364 1.1383 1.1509 1.1513 1.1714 1.1726 1.5932 1.5964 1.6274 1.6289 1.6886 1.6908 7.0775 7.0775 8.8620 8.8621 9.4728 9.4730 9.5553 9.5558 k = 0.0160 0.0092 0.0261 ( 3427 PWs) bands (ev): -21.4874 -21.4874 -17.4883 -17.4882 -17.4668 -17.4668 -17.4654 -17.4654 -10.3552 -10.3552 -6.7548 -6.7545 -6.7350 -6.7349 -6.7338 -6.7331 -3.7197 -3.7160 -3.7142 -3.7120 -3.2533 -3.2521 -3.2506 -3.2471 -3.2165 -3.2164 0.0930 0.0945 0.0960 0.0978 1.1471 1.1478 1.1624 1.1627 1.1716 1.1720 1.6058 1.6071 1.6202 1.6215 1.6876 1.6884 7.0648 7.0648 8.8511 8.8511 9.4646 9.4647 9.5486 9.5489 k = 0.0080 0.0046 0.0130 ( 3427 PWs) bands (ev): -21.4879 -21.4879 -17.4877 -17.4877 -17.4657 -17.4657 -17.4654 -17.4654 -10.3586 -10.3586 -6.7539 -6.7539 -6.7339 -6.7338 -6.7336 -6.7333 -3.7181 -3.7165 -3.7155 -3.7143 -3.2544 -3.2536 -3.2528 -3.2513 -3.2189 -3.2189 0.0983 0.0990 0.0991 0.1000 1.1522 1.1523 1.1701 1.1703 1.1725 1.1725 1.6124 1.6127 1.6158 1.6164 1.6878 1.6879 7.0572 7.0572 8.8444 8.8444 9.4597 9.4597 9.5447 9.5448 k = 0.0000 0.0000 0.0000 ( 3383 PWs) bands (ev): -21.4881 -21.4881 -17.4875 -17.4875 -17.4653 -17.4653 -17.4653 -17.4653 -10.3597 -10.3597 -6.7535 -6.7535 -6.7333 -6.7333 -6.7333 -6.7333 -3.7162 -3.7162 -3.7162 -3.7162 -3.2536 -3.2536 -3.2536 -3.2536 -3.2196 -3.2196 0.1004 0.1004 0.1004 0.1004 1.1537 1.1537 1.1729 1.1729 1.1729 1.1729 1.6145 1.6145 1.6145 1.6145 1.6881 1.6881 7.0546 7.0546 8.8422 8.8422 9.4580 9.4580 9.5434 9.5434 k = 0.0000 0.0000 0.0000 ( 3383 PWs) bands (ev): -21.4881 -21.4881 -17.4875 -17.4875 -17.4653 -17.4653 -17.4653 -17.4653 -10.3597 -10.3597 -6.7535 -6.7535 -6.7333 -6.7333 -6.7333 -6.7333 -3.7162 -3.7162 -3.7162 -3.7162 -3.2536 -3.2536 -3.2536 -3.2536 -3.2196 -3.2196 0.1004 0.1004 0.1004 0.1004 1.1537 1.1537 1.1729 1.1729 1.1729 1.1729 1.6145 1.6145 1.6145 1.6145 1.6881 1.6881 7.0546 7.0546 8.8422 8.8422 9.4580 9.4580 9.5434 9.5434 k = 0.0132 0.0076 0.0054 ( 3431 PWs) bands (ev): -21.4879 -21.4879 -17.4877 -17.4877 -17.4657 -17.4657 -17.4654 -17.4654 -10.3586 -10.3586 -6.7539 -6.7539 -6.7338 -6.7338 -6.7337 -6.7333 -3.7182 -3.7160 -3.7160 -3.7143 -3.2544 -3.2532 -3.2532 -3.2512 -3.2189 -3.2189 0.0985 0.0990 0.0990 0.0998 1.1523 1.1523 1.1702 1.1704 1.1723 1.1723 1.6123 1.6123 1.6159 1.6167 1.6879 1.6879 7.0572 7.0572 8.8445 8.8445 9.4597 9.4597 9.5448 9.5448 k = 0.0263 0.0152 0.0107 ( 3431 PWs) bands (ev): -21.4874 -21.4874 -17.4883 -17.4883 -17.4668 -17.4668 -17.4654 -17.4654 -10.3552 -10.3552 -6.7547 -6.7547 -6.7350 -6.7350 -6.7339 -6.7331 -3.7198 -3.7150 -3.7150 -3.7120 -3.2532 -3.2514 -3.2514 -3.2468 -3.2164 -3.2164 0.0942 0.0948 0.0948 0.0969 1.1480 1.1480 1.1623 1.1628 1.1709 1.1709 1.6053 1.6053 1.6211 1.6225 1.6881 1.6881 7.0650 7.0650 8.8513 8.8513 9.4648 9.4648 9.5491 9.5491 k = 0.0395 0.0228 0.0161 ( 3431 PWs) bands (ev): -21.4866 -21.4866 -17.4894 -17.4894 -17.4685 -17.4685 -17.4655 -17.4655 -10.3495 -10.3495 -6.7561 -6.7561 -6.7366 -6.7366 -6.7342 -6.7329 -3.7212 -3.7134 -3.7134 -3.7097 -3.2500 -3.2484 -3.2484 -3.2406 -3.2123 -3.2123 0.0874 0.0879 0.0879 0.0914 1.1402 1.1402 1.1497 1.1505 1.1696 1.1696 1.5918 1.5918 1.6294 1.6314 1.6902 1.6902 7.0779 7.0779 8.8624 8.8624 9.4733 9.4733 9.5565 9.5565 k = 0.0526 0.0304 0.0215 ( 3431 PWs) bands (ev): -21.4854 -21.4854 -17.4912 -17.4912 -17.4706 -17.4706 -17.4656 -17.4656 -10.3416 -10.3416 -6.7586 -6.7586 -6.7386 -6.7386 -6.7345 -6.7328 -3.7223 -3.7111 -3.7111 -3.7072 -3.2448 -3.2442 -3.2442 -3.2326 -3.2065 -3.2065 0.0781 0.0781 0.0782 0.0835 1.1288 1.1288 1.1331 1.1344 1.1687 1.1687 1.5708 1.5708 1.6404 1.6429 1.6950 1.6950 7.0959 7.0959 8.8774 8.8774 9.4852 9.4852 9.5670 9.5670 k = 0.0658 0.0380 0.0269 ( 3425 PWs) bands (ev): -21.4839 -21.4839 -17.4940 -17.4940 -17.4727 -17.4727 -17.4657 -17.4657 -10.3316 -10.3316 -6.7623 -6.7623 -6.7405 -6.7405 -6.7347 -6.7327 -3.7231 -3.7083 -3.7083 -3.7047 -3.2387 -3.2387 -3.2376 -3.2228 -3.1991 -3.1991 0.0655 0.0655 0.0663 0.0730 1.1133 1.1145 1.1145 1.1151 1.1682 1.1682 1.5424 1.5424 1.6534 1.6563 1.7024 1.7024 7.1187 7.1187 8.8960 8.8960 9.5005 9.5005 9.5810 9.5810 k = 0.0789 0.0456 0.0322 ( 3419 PWs) bands (ev): -21.4821 -21.4821 -17.4980 -17.4980 -17.4747 -17.4747 -17.4659 -17.4658 -10.3194 -10.3194 -6.7675 -6.7675 -6.7420 -6.7420 -6.7350 -6.7326 -3.7237 -3.7050 -3.7050 -3.7022 -3.2319 -3.2319 -3.2284 -3.2111 -3.1900 -3.1900 0.0499 0.0499 0.0518 0.0599 1.0910 1.0934 1.0979 1.0979 1.1679 1.1679 1.5069 1.5069 1.6679 1.6711 1.7119 1.7119 7.1461 7.1461 8.9175 8.9175 9.5194 9.5194 9.5987 9.5987 k = 0.0921 0.0532 0.0376 ( 3410 PWs) bands (ev): -21.4799 -21.4799 -17.5034 -17.5034 -17.4763 -17.4763 -17.4660 -17.4660 -10.3052 -10.3052 -6.7742 -6.7742 -6.7433 -6.7433 -6.7353 -6.7326 -3.7240 -3.7012 -3.7012 -3.6998 -3.2237 -3.2237 -3.2170 -3.1976 -3.1793 -3.1793 0.0314 0.0314 0.0346 0.0440 1.0668 1.0700 1.0796 1.0796 1.1678 1.1678 1.4651 1.4651 1.6834 1.6868 1.7229 1.7229 7.1781 7.1781 8.9411 8.9411 9.5419 9.5419 9.6201 9.6201 k = 0.1053 0.0608 0.0430 ( 3410 PWs) bands (ev): -21.4775 -21.4775 -17.5100 -17.5100 -17.4776 -17.4776 -17.4662 -17.4662 -10.2891 -10.2891 -6.7823 -6.7823 -6.7442 -6.7442 -6.7357 -6.7325 -3.7241 -3.6975 -3.6972 -3.6972 -3.2142 -3.2142 -3.2035 -3.1823 -3.1670 -3.1670 0.0098 0.0098 0.0146 0.0252 1.0414 1.0453 1.0600 1.0600 1.1678 1.1678 1.4175 1.4175 1.6994 1.7030 1.7349 1.7349 7.2142 7.2142 8.9661 8.9661 9.5684 9.5684 9.6455 9.6455 k = 0.1184 0.0684 0.0483 ( 3416 PWs) bands (ev): -21.4748 -21.4748 -17.5177 -17.5177 -17.4786 -17.4786 -17.4664 -17.4664 -10.2710 -10.2710 -6.7918 -6.7918 -6.7450 -6.7450 -6.7360 -6.7326 -3.7240 -3.6954 -3.6929 -3.6929 -3.2032 -3.2032 -3.1878 -3.1652 -3.1530 -3.1530 -0.0149 -0.0149 -0.0084 0.0034 1.0153 1.0201 1.0396 1.0396 1.1679 1.1679 1.3646 1.3646 1.7156 1.7193 1.7474 1.7474 7.2543 7.2543 8.9915 8.9915 9.5991 9.5991 9.6750 9.6750 k = 0.1316 0.0760 0.0537 ( 3404 PWs) bands (ev): -21.4719 -21.4719 -17.5265 -17.5265 -17.4794 -17.4794 -17.4667 -17.4667 -10.2511 -10.2511 -6.8025 -6.8025 -6.7456 -6.7456 -6.7363 -6.7326 -3.7238 -3.6934 -3.6883 -3.6883 -3.1907 -3.1907 -3.1700 -3.1462 -3.1373 -3.1373 -0.0427 -0.0427 -0.0343 -0.0213 0.9890 0.9946 1.0188 1.0188 1.1680 1.1680 1.3071 1.3071 1.7318 1.7355 1.7603 1.7603 7.2981 7.2981 9.0167 9.0167 9.6344 9.6344 9.7086 9.7086 k = 0.1447 0.0836 0.0591 ( 3404 PWs) bands (ev): -21.4686 -21.4686 -17.5361 -17.5361 -17.4800 -17.4800 -17.4669 -17.4669 -10.2296 -10.2296 -6.8142 -6.8142 -6.7461 -6.7461 -6.7366 -6.7326 -3.7234 -3.6917 -3.6837 -3.6837 -3.1767 -3.1767 -3.1499 -3.1254 -3.1200 -3.1200 -0.0736 -0.0736 -0.0633 -0.0492 0.9630 0.9694 0.9979 0.9979 1.1681 1.1681 1.2456 1.2456 1.7478 1.7515 1.7733 1.7733 7.3454 7.3454 9.0408 9.0408 9.6740 9.6740 9.7464 9.7464 k = 0.1579 0.0912 0.0645 ( 3395 PWs) bands (ev): -21.4652 -21.4652 -17.5465 -17.5465 -17.4806 -17.4806 -17.4672 -17.4672 -10.2066 -10.2066 -6.8268 -6.8268 -6.7465 -6.7465 -6.7369 -6.7327 -3.7229 -3.6902 -3.6791 -3.6791 -3.1611 -3.1611 -3.1278 -3.1027 -3.1009 -3.1009 -0.1075 -0.1075 -0.0953 -0.0802 0.9375 0.9447 0.9771 0.9771 1.1682 1.1682 1.1807 1.1807 1.7635 1.7671 1.7862 1.7862 7.3960 7.3960 9.0634 9.0634 9.7178 9.7178 9.7890 9.7890 k = 0.1711 0.0988 0.0698 ( 3401 PWs) bands (ev): -21.4616 -21.4616 -17.5576 -17.5576 -17.4812 -17.4812 -17.4675 -17.4675 -10.1821 -10.1821 -6.8405 -6.8405 -6.7470 -6.7470 -6.7373 -6.7328 -3.7223 -3.6890 -3.6746 -3.6746 -3.1442 -3.1442 -3.1035 -3.0802 -3.0802 -3.0783 -0.1445 -0.1445 -0.1304 -0.1144 0.9128 0.9207 0.9562 0.9562 1.1130 1.1130 1.1685 1.1685 1.7787 1.7822 1.7989 1.7989 7.4495 7.4495 9.0840 9.0840 9.7647 9.7647 9.8366 9.8366 k = 0.1842 0.1064 0.0752 ( 3404 PWs) bands (ev): -21.4578 -21.4578 -17.5692 -17.5692 -17.4817 -17.4817 -17.4678 -17.4678 -10.1563 -10.1563 -6.8550 -6.8550 -6.7474 -6.7474 -6.7376 -6.7330 -3.7217 -3.6880 -3.6702 -3.6702 -3.1258 -3.1258 -3.0771 -3.0578 -3.0578 -3.0520 -0.1845 -0.1845 -0.1685 -0.1517 0.8891 0.8977 0.9347 0.9347 1.0441 1.0441 1.1687 1.1687 1.7934 1.7968 1.8113 1.8113 7.5058 7.5058 9.1027 9.1027 9.8137 9.8137 9.8830 9.8877 k = 0.1974 0.1140 0.0806 ( 3392 PWs) bands (ev): -21.4538 -21.4538 -17.5812 -17.5812 -17.4821 -17.4821 -17.4681 -17.4681 -10.1294 -10.1294 -6.8702 -6.8702 -6.7478 -6.7477 -6.7379 -6.7331 -3.7210 -3.6873 -3.6659 -3.6659 -3.1060 -3.1060 -3.0485 -3.0335 -3.0335 -3.0238 -0.2272 -0.2272 -0.2095 -0.1920 0.8667 0.8758 0.9094 0.9094 0.9776 0.9776 1.1689 1.1689 1.8076 1.8108 1.8233 1.8233 7.5646 7.5646 9.1195 9.1195 9.8636 9.8636 9.9277 9.9326 k = 0.2105 0.1215 0.0859 ( 3395 PWs) bands (ev): -21.4497 -21.4497 -17.5936 -17.5936 -17.4826 -17.4826 -17.4684 -17.4684 -10.1015 -10.1015 -6.8861 -6.8861 -6.7481 -6.7481 -6.7382 -6.7333 -3.7203 -3.6869 -3.6619 -3.6619 -3.0849 -3.0849 -3.0181 -3.0075 -3.0075 -2.9939 -0.2725 -0.2725 -0.2533 -0.2353 0.8456 0.8552 0.8669 0.8669 0.9275 0.9275 1.1691 1.1691 1.8211 1.8241 1.8349 1.8349 7.6257 7.6257 9.1346 9.1346 9.9140 9.9140 9.9739 9.9790 k = 0.2237 0.1291 0.0913 ( 3395 PWs) bands (ev): -21.4455 -21.4455 -17.6062 -17.6062 -17.4830 -17.4830 -17.4688 -17.4687 -10.0728 -10.0728 -6.9025 -6.9025 -6.7485 -6.7485 -6.7385 -6.7335 -3.7195 -3.6866 -3.6582 -3.6582 -3.0625 -3.0625 -2.9857 -2.9798 -2.9798 -2.9623 -0.3204 -0.3204 -0.2997 -0.2813 0.8011 0.8011 0.8259 0.8358 0.9005 0.9005 1.1694 1.1694 1.8340 1.8369 1.8460 1.8460 7.6888 7.6888 9.1483 9.1483 9.9646 9.9646 10.0214 10.0267 k = 0.2368 0.1367 0.0967 ( 3389 PWs) bands (ev): -21.4412 -21.4412 -17.6191 -17.6191 -17.4834 -17.4834 -17.4691 -17.4691 -10.0435 -10.0435 -6.9195 -6.9195 -6.7488 -6.7488 -6.7387 -6.7337 -3.7188 -3.6866 -3.6547 -3.6547 -3.0390 -3.0390 -2.9514 -2.9503 -2.9503 -2.9289 -0.3705 -0.3705 -0.3486 -0.3299 0.7270 0.7270 0.8076 0.8177 0.8819 0.8819 1.1696 1.1696 1.8463 1.8490 1.8566 1.8566 7.7536 7.7536 9.1610 9.1610 10.0153 10.0153 10.0698 10.0752 k = 0.2500 0.1443 0.1021 ( 3398 PWs) bands (ev): -21.4368 -21.4368 -17.6320 -17.6320 -17.4838 -17.4838 -17.4694 -17.4694 -10.0138 -10.0138 -6.9368 -6.9368 -6.7491 -6.7491 -6.7390 -6.7340 -3.7181 -3.6868 -3.6515 -3.6515 -3.0145 -3.0145 -2.9191 -2.9191 -2.9154 -2.8940 -0.4227 -0.4227 -0.3997 -0.3810 0.6506 0.6506 0.7907 0.8009 0.8663 0.8663 1.1698 1.1698 1.8579 1.8604 1.8667 1.8667 7.8199 7.8199 9.1730 9.1730 10.0662 10.0662 10.1189 10.1244 k = 0.2632 0.1519 0.1074 ( 3398 PWs) bands (ev): -21.4325 -21.4325 -17.6449 -17.6449 -17.4842 -17.4842 -17.4698 -17.4697 -9.9837 -9.9837 -6.9544 -6.9544 -6.7495 -6.7495 -6.7392 -6.7343 -3.7174 -3.6872 -3.6486 -3.6486 -2.9891 -2.9891 -2.8862 -2.8862 -2.8777 -2.8575 -0.4766 -0.4766 -0.4528 -0.4341 0.5735 0.5735 0.7752 0.7854 0.8524 0.8524 1.1701 1.1701 1.8689 1.8712 1.8763 1.8763 7.8874 7.8874 9.1847 9.1847 10.1170 10.1170 10.1684 10.1740 k = 0.2763 0.1595 0.1128 ( 3392 PWs) bands (ev): -21.4281 -21.4281 -17.6577 -17.6577 -17.4846 -17.4846 -17.4701 -17.4701 -9.9536 -9.9536 -6.9722 -6.9722 -6.7498 -6.7498 -6.7394 -6.7345 -3.7167 -3.6877 -3.6459 -3.6459 -2.9630 -2.9630 -2.8517 -2.8517 -2.8384 -2.8195 -0.5321 -0.5321 -0.5075 -0.4890 0.4967 0.4967 0.7611 0.7711 0.8398 0.8398 1.1703 1.1703 1.8793 1.8814 1.8854 1.8854 7.9557 7.9557 9.1965 9.1965 10.1676 10.1676 10.2179 10.2235 k = 0.2895 0.1671 0.1182 ( 3404 PWs) bands (ev): -21.4238 -21.4238 -17.6703 -17.6703 -17.4850 -17.4850 -17.4704 -17.4704 -9.9236 -9.9236 -6.9900 -6.9900 -6.7501 -6.7501 -6.7397 -6.7349 -3.7161 -3.6884 -3.6436 -3.6436 -2.9363 -2.9363 -2.8158 -2.8158 -2.7977 -2.7802 -0.5888 -0.5888 -0.5637 -0.5455 0.4205 0.4205 0.7481 0.7579 0.8284 0.8284 1.1706 1.1706 1.8889 1.8909 1.8940 1.8940 8.0245 8.0245 9.2089 9.2089 10.2177 10.2177 10.2671 10.2727 k = 0.3026 0.1747 0.1235 ( 3404 PWs) bands (ev): -21.4196 -21.4196 -17.6826 -17.6826 -17.4854 -17.4854 -17.4708 -17.4707 -9.8940 -9.8940 -7.0077 -7.0077 -6.7504 -6.7504 -6.7398 -6.7352 -3.7154 -3.6891 -3.6415 -3.6415 -2.9092 -2.9092 -2.7784 -2.7784 -2.7557 -2.7396 -0.6464 -0.6464 -0.6211 -0.6032 0.3456 0.3456 0.7364 0.7459 0.8179 0.8179 1.1708 1.1708 1.8980 1.8997 1.9020 1.9020 8.0931 8.0931 9.2224 9.2224 10.2671 10.2671 10.3157 10.3212 k = 0.3158 0.1823 0.1289 ( 3404 PWs) bands (ev): -21.4155 -21.4155 -17.6946 -17.6946 -17.4857 -17.4857 -17.4711 -17.4711 -9.8648 -9.8648 -7.0253 -7.0253 -6.7507 -6.7507 -6.7400 -6.7355 -3.7148 -3.6900 -3.6397 -3.6397 -2.8819 -2.8819 -2.7398 -2.7398 -2.7126 -2.6979 -0.7047 -0.7047 -0.6792 -0.6618 0.2723 0.2723 0.7258 0.7350 0.8085 0.8085 1.1710 1.1710 1.9064 1.9080 1.9094 1.9094 8.1613 8.1613 9.2374 9.2374 10.3153 10.3153 10.3634 10.3688 k = 0.3289 0.1899 0.1343 ( 3401 PWs) bands (ev): -21.4115 -21.4115 -17.7061 -17.7061 -17.4861 -17.4861 -17.4714 -17.4714 -9.8365 -9.8365 -7.0425 -7.0425 -6.7510 -6.7510 -6.7401 -6.7358 -3.7142 -3.6909 -3.6381 -3.6381 -2.8545 -2.8545 -2.7002 -2.7002 -2.6685 -2.6553 -0.7632 -0.7632 -0.7378 -0.7210 0.2012 0.2012 0.7163 0.7250 0.7999 0.7999 1.1713 1.1713 1.9142 1.9156 1.9164 1.9164 8.2282 8.2282 9.2545 9.2545 10.3622 10.3622 10.4098 10.4150 k = 0.3421 0.1975 0.1397 ( 3413 PWs) bands (ev): -21.4076 -21.4076 -17.7171 -17.7171 -17.4864 -17.4864 -17.4717 -17.4717 -9.8091 -9.8091 -7.0593 -7.0593 -6.7512 -6.7512 -6.7402 -6.7361 -3.7136 -3.6920 -3.6367 -3.6367 -2.8274 -2.8274 -2.6598 -2.6598 -2.6238 -2.6119 -0.8217 -0.8217 -0.7965 -0.7804 0.1327 0.1327 0.7077 0.7160 0.7921 0.7921 1.1715 1.1715 1.9214 1.9227 1.9227 1.9227 8.2933 8.2933 9.2744 9.2744 10.4073 10.4073 10.4545 10.4596 k = 0.3553 0.2051 0.1450 ( 3410 PWs) bands (ev): -21.4040 -21.4040 -17.7275 -17.7275 -17.4867 -17.4867 -17.4720 -17.4719 -9.7829 -9.7829 -7.0754 -7.0754 -6.7514 -6.7514 -6.7402 -6.7364 -3.7130 -3.6930 -3.6355 -3.6355 -2.8006 -2.8006 -2.6189 -2.6189 -2.5786 -2.5682 -0.8797 -0.8797 -0.8548 -0.8395 0.0672 0.0672 0.7001 0.7078 0.7851 0.7851 1.1717 1.1717 1.9280 1.9286 1.9286 1.9291 8.3557 8.3557 9.2977 9.2977 10.4504 10.4504 10.4973 10.5022 k = 0.3684 0.2127 0.1504 ( 3410 PWs) bands (ev): -21.4005 -21.4005 -17.7373 -17.7373 -17.4870 -17.4870 -17.4722 -17.4722 -9.7580 -9.7580 -7.0907 -7.0907 -6.7517 -6.7517 -6.7403 -6.7367 -3.7123 -3.6941 -3.6344 -3.6344 -2.7746 -2.7746 -2.5777 -2.5777 -2.5333 -2.5242 -0.9367 -0.9367 -0.9125 -0.8980 0.0052 0.0052 0.6934 0.7005 0.7788 0.7788 1.1719 1.1719 1.9340 1.9340 1.9340 1.9350 8.4147 8.4147 9.3252 9.3252 10.4910 10.4910 10.5378 10.5424 k = 0.3816 0.2203 0.1558 ( 3398 PWs) bands (ev): -21.3973 -21.3973 -17.7463 -17.7463 -17.4872 -17.4872 -17.4724 -17.4724 -9.7348 -9.7348 -7.1052 -7.1052 -6.7519 -6.7519 -6.7403 -6.7370 -3.7117 -3.6952 -3.6335 -3.6335 -2.7496 -2.7496 -2.5368 -2.5368 -2.4883 -2.4805 -0.9923 -0.9923 -0.9688 -0.9553 -0.0528 -0.0528 0.6875 0.6940 0.7732 0.7732 1.1721 1.1721 1.9388 1.9388 1.9394 1.9402 8.4694 8.4694 9.3575 9.3575 10.5285 10.5285 10.5756 10.5799 k = 0.3947 0.2279 0.1612 ( 3392 PWs) bands (ev): -21.3944 -21.3944 -17.7546 -17.7546 -17.4875 -17.4875 -17.4727 -17.4726 -9.7134 -9.7134 -7.1185 -7.1185 -6.7520 -6.7520 -6.7403 -6.7373 -3.7110 -3.6963 -3.6327 -3.6327 -2.7260 -2.7260 -2.4966 -2.4966 -2.4441 -2.4376 -1.0459 -1.0459 -1.0234 -1.0109 -0.1064 -0.1064 0.6824 0.6882 0.7683 0.7683 1.1723 1.1723 1.9431 1.9431 1.9442 1.9450 8.5190 8.5190 9.3951 9.3951 10.5469 10.5469 10.5690 10.5690 k = 0.4079 0.2355 0.1665 ( 3386 PWs) bands (ev): -21.3918 -21.3918 -17.7620 -17.7620 -17.4877 -17.4877 -17.4729 -17.4728 -9.6939 -9.6939 -7.1307 -7.1307 -6.7522 -6.7522 -6.7403 -6.7376 -3.7103 -3.6975 -3.6321 -3.6321 -2.7039 -2.7039 -2.4576 -2.4576 -2.4012 -2.3960 -1.0968 -1.0968 -1.0753 -1.0640 -0.1552 -0.1552 0.6780 0.6831 0.7641 0.7641 1.1724 1.1724 1.9470 1.9470 1.9485 1.9491 8.5629 8.5629 9.4385 9.4385 10.4878 10.4878 10.5971 10.5971 k = 0.4211 0.2431 0.1719 ( 3386 PWs) bands (ev): -21.3894 -21.3894 -17.7685 -17.7685 -17.4879 -17.4879 -17.4730 -17.4730 -9.6767 -9.6767 -7.1416 -7.1416 -6.7523 -6.7523 -6.7402 -6.7379 -3.7096 -3.6986 -3.6316 -3.6316 -2.6839 -2.6839 -2.4208 -2.4208 -2.3606 -2.3564 -1.1441 -1.1441 -1.1239 -1.1138 -0.1986 -0.1986 0.6743 0.6787 0.7604 0.7604 1.1726 1.1726 1.9503 1.9503 1.9522 1.9527 8.6007 8.6007 9.4877 9.4877 10.4175 10.4175 10.6248 10.6248 k = 0.4342 0.2507 0.1773 ( 3386 PWs) bands (ev): -21.3874 -21.3874 -17.7741 -17.7741 -17.4880 -17.4880 -17.4732 -17.4732 -9.6618 -9.6618 -7.1511 -7.1511 -6.7525 -6.7525 -6.7401 -6.7382 -3.7089 -3.6997 -3.6312 -3.6312 -2.6663 -2.6663 -2.3868 -2.3868 -2.3230 -2.3198 -1.1871 -1.1871 -1.1682 -1.1594 -0.2363 -0.2363 0.6712 0.6750 0.7573 0.7573 1.1727 1.1727 1.9530 1.9530 1.9553 1.9557 8.6322 8.6322 9.5424 9.5424 10.3422 10.3422 10.6490 10.6490 k = 0.4474 0.2583 0.1826 ( 3392 PWs) bands (ev): -21.3857 -21.3857 -17.7788 -17.7788 -17.4881 -17.4881 -17.4733 -17.4733 -9.6494 -9.6494 -7.1590 -7.1590 -6.7526 -6.7526 -6.7400 -6.7385 -3.7082 -3.7008 -3.6309 -3.6309 -2.6513 -2.6513 -2.3568 -2.3568 -2.2895 -2.2872 -1.2246 -1.2246 -1.2069 -1.1997 -0.2677 -0.2677 0.6689 0.6719 0.7548 0.7548 1.1728 1.1728 1.9553 1.9553 1.9578 1.9581 8.6574 8.6574 9.6018 9.6018 10.2647 10.2647 10.6691 10.6691 k = 0.4605 0.2659 0.1880 ( 3390 PWs) bands (ev): -21.3844 -21.3844 -17.7824 -17.7824 -17.4882 -17.4882 -17.4734 -17.4734 -9.6396 -9.6396 -7.1652 -7.1652 -6.7527 -6.7527 -6.7399 -6.7387 -3.7074 -3.7018 -3.6306 -3.6306 -2.6393 -2.6393 -2.3317 -2.3317 -2.2615 -2.2599 -1.2555 -1.2555 -1.2388 -1.2332 -0.2926 -0.2926 0.6671 0.6694 0.7529 0.7529 1.1728 1.1728 1.9571 1.9571 1.9598 1.9600 8.6767 8.6767 9.6644 9.6644 10.1875 10.1875 10.6850 10.6850 k = 0.4737 0.2735 0.1934 ( 3390 PWs) bands (ev): -21.3835 -21.3835 -17.7850 -17.7850 -17.4883 -17.4883 -17.4735 -17.4734 -9.6325 -9.6325 -7.1698 -7.1698 -6.7527 -6.7527 -6.7398 -6.7390 -3.7066 -3.7029 -3.6304 -3.6304 -2.6305 -2.6305 -2.3127 -2.3127 -2.2401 -2.2392 -1.2787 -1.2787 -1.2627 -1.2588 -0.3107 -0.3107 0.6660 0.6675 0.7516 0.7516 1.1729 1.1729 1.9583 1.9583 1.9612 1.9614 8.6901 8.6901 9.7270 9.7270 10.1142 10.1142 10.6965 10.6965 k = 0.4868 0.2811 0.1988 ( 3390 PWs) bands (ev): -21.3829 -21.3829 -17.7866 -17.7866 -17.4884 -17.4884 -17.4735 -17.4735 -9.6282 -9.6282 -7.1725 -7.1725 -6.7527 -6.7527 -6.7396 -6.7392 -3.7057 -3.7039 -3.6303 -3.6303 -2.6251 -2.6251 -2.3008 -2.3008 -2.2267 -2.2262 -1.2931 -1.2931 -1.2771 -1.2752 -0.3216 -0.3216 0.6655 0.6663 0.7508 0.7508 1.1729 1.1729 1.9591 1.9591 1.9621 1.9622 8.6981 8.6981 9.7817 9.7817 10.0530 10.0530 10.7034 10.7034 k = 0.5000 0.2887 0.2041 ( 3426 PWs) bands (ev): -21.3828 -21.3828 -17.7871 -17.7871 -17.4884 -17.4884 -17.4735 -17.4735 -9.6268 -9.6268 -7.1735 -7.1735 -6.7528 -6.7528 -6.7395 -6.7395 -3.7049 -3.7049 -3.6304 -3.6304 -2.6234 -2.6234 -2.2969 -2.2969 -2.2220 -2.2220 -1.2980 -1.2980 -1.2814 -1.2814 -0.3253 -0.3253 0.6655 0.6655 0.7504 0.7504 1.1729 1.1729 1.9593 1.9593 1.9623 1.9623 8.7007 8.7007 9.8070 9.8070 10.0255 10.0255 10.7057 10.7057 k = 0.5000 0.2887 0.2041 ( 3426 PWs) bands (ev): -21.3828 -21.3828 -17.7871 -17.7871 -17.4884 -17.4884 -17.4735 -17.4735 -9.6268 -9.6268 -7.1735 -7.1735 -6.7528 -6.7528 -6.7395 -6.7395 -3.7049 -3.7049 -3.6304 -3.6304 -2.6234 -2.6234 -2.2969 -2.2969 -2.2220 -2.2220 -1.2980 -1.2980 -1.2814 -1.2814 -0.3253 -0.3253 0.6655 0.6655 0.7504 0.7504 1.1729 1.1729 1.9593 1.9593 1.9623 1.9623 8.7007 8.7007 9.8070 9.8070 10.0255 10.0255 10.7057 10.7057 k = 0.5046 0.2753 0.2117 ( 3402 PWs) bands (ev): -21.3827 -21.3826 -17.7876 -17.7871 -17.4886 -17.4882 -17.4736 -17.4736 -9.6263 -9.6258 -7.1744 -7.1731 -6.7541 -6.7518 -6.7395 -6.7395 -3.7044 -3.7044 -3.6302 -3.6297 -2.6230 -2.6226 -2.2993 -2.2944 -2.2221 -2.2221 -1.2980 -1.2973 -1.2811 -1.2811 -0.3315 -0.3204 0.6632 0.6633 0.7464 0.7496 1.1751 1.1773 1.9556 1.9579 1.9624 1.9633 8.7036 8.7045 9.8080 9.8081 10.0269 10.0272 10.7062 10.7067 k = 0.5093 0.2619 0.2192 ( 3398 PWs) bands (ev): -21.3825 -21.3823 -17.7886 -17.7874 -17.4888 -17.4882 -17.4737 -17.4737 -9.6243 -9.6233 -7.1758 -7.1734 -6.7558 -6.7512 -6.7398 -6.7397 -3.7032 -3.7031 -3.6293 -3.6282 -2.6217 -2.6207 -2.3018 -2.2921 -2.2226 -2.2225 -1.2973 -1.2959 -1.2801 -1.2800 -0.3389 -0.3168 0.6555 0.6558 0.7386 0.7450 1.1834 1.1879 1.9471 1.9539 1.9608 1.9647 8.7132 8.7150 9.8112 9.8113 10.0312 10.0318 10.7079 10.7088 k = 0.5139 0.2486 0.2268 ( 3398 PWs) bands (ev): -21.3821 -21.3817 -17.7899 -17.7881 -17.4891 -17.4881 -17.4739 -17.4739 -9.6209 -9.6194 -7.1778 -7.1742 -6.7579 -6.7509 -6.7403 -6.7399 -3.7014 -3.7010 -3.6274 -3.6260 -2.6192 -2.6179 -2.3043 -2.2898 -2.2233 -2.2231 -1.2961 -1.2939 -1.2784 -1.2783 -0.3476 -0.3146 0.6404 0.6411 0.7300 0.7395 1.1969 1.2034 1.9346 1.9466 1.9586 1.9660 8.7293 8.7320 9.8164 9.8167 10.0384 10.0393 10.7105 10.7119 k = 0.5185 0.2352 0.2344 ( 3396 PWs) bands (ev): -21.3815 -21.3811 -17.7916 -17.7893 -17.4894 -17.4882 -17.4742 -17.4742 -9.6160 -9.6140 -7.1804 -7.1756 -6.7604 -6.7508 -6.7411 -6.7402 -3.6989 -3.6981 -3.6245 -3.6230 -2.6158 -2.6140 -2.3069 -2.2874 -2.2242 -2.2239 -1.2942 -1.2912 -1.2761 -1.2760 -0.3575 -0.3137 0.6171 0.6177 0.7235 0.7354 1.2140 1.2227 1.9183 1.9353 1.9564 1.9672 8.7519 8.7553 9.8238 9.8242 10.0485 10.0496 10.7136 10.7155 k = 0.5231 0.2219 0.2419 ( 3391 PWs) bands (ev): -21.3807 -21.3802 -17.7937 -17.7908 -17.4898 -17.4882 -17.4746 -17.4745 -9.6098 -9.6072 -7.1836 -7.1776 -6.7633 -6.7510 -6.7420 -6.7405 -3.6962 -3.6945 -3.6204 -3.6193 -2.6114 -2.6093 -2.3095 -2.2851 -2.2252 -2.2246 -1.2917 -1.2879 -1.2732 -1.2730 -0.3684 -0.3142 0.5861 0.5861 0.7199 0.7333 1.2337 1.2445 1.8985 1.9205 1.9544 1.9683 8.7806 8.7848 9.8332 9.8337 10.0613 10.0628 10.7168 10.7191 k = 0.5278 0.2085 0.2495 ( 3393 PWs) bands (ev): -21.3798 -21.3792 -17.7962 -17.7928 -17.4903 -17.4884 -17.4750 -17.4749 -9.6021 -9.5992 -7.1874 -7.1803 -6.7666 -6.7515 -6.7431 -6.7408 -3.6933 -3.6904 -3.6151 -3.6146 -2.6061 -2.6038 -2.3121 -2.2827 -2.2263 -2.2253 -1.2887 -1.2840 -1.2698 -1.2693 -0.3803 -0.3160 0.5479 0.5487 0.7185 0.7327 1.2549 1.2677 1.8756 1.9026 1.9523 1.9693 8.8151 8.8201 9.8447 9.8452 10.0767 10.0786 10.7197 10.7224 k = 0.5324 0.1951 0.2570 ( 3390 PWs) bands (ev): -21.3787 -21.3780 -17.7990 -17.7951 -17.4908 -17.4885 -17.4755 -17.4754 -9.5933 -9.5898 -7.1918 -7.1836 -6.7702 -6.7523 -6.7442 -6.7411 -3.6903 -3.6859 -3.6090 -3.6084 -2.6000 -2.5975 -2.3146 -2.2802 -2.2272 -2.2258 -1.2853 -1.2795 -1.2659 -1.2651 -0.3931 -0.3191 0.5046 0.5064 0.7186 0.7328 1.2768 1.2917 1.8499 1.8820 1.9503 1.9702 8.8551 8.8608 9.8581 9.8588 10.0947 10.0968 10.7223 10.7252 k = 0.5370 0.1818 0.2646 ( 3385 PWs) bands (ev): -21.3775 -21.3767 -17.8021 -17.7977 -17.4913 -17.4887 -17.4761 -17.4758 -9.5832 -9.5793 -7.1967 -7.1875 -6.7739 -6.7535 -6.7452 -6.7413 -3.6875 -3.6812 -3.6023 -3.6003 -2.5934 -2.5908 -2.3167 -2.2775 -2.2277 -2.2259 -1.2814 -1.2745 -1.2615 -1.2603 -0.4067 -0.3233 0.4574 0.4601 0.7193 0.7330 1.2988 1.3157 1.8221 1.8594 1.9482 1.9709 8.9002 8.9064 9.8735 9.8742 10.1149 10.1175 10.7245 10.7276 k = 0.5417 0.1684 0.2722 ( 3387 PWs) bands (ev): -21.3761 -21.3752 -17.8056 -17.8007 -17.4918 -17.4889 -17.4767 -17.4764 -9.5720 -9.5677 -7.2023 -7.1921 -6.7779 -6.7551 -6.7461 -6.7416 -3.6850 -3.6766 -3.5945 -3.5908 -2.5864 -2.5837 -2.3184 -2.2745 -2.2276 -2.2255 -1.2771 -1.2691 -1.2567 -1.2549 -0.4211 -0.3287 0.4073 0.4107 0.7202 0.7327 1.3206 1.3396 1.7926 1.8352 1.9460 1.9715 8.9500 8.9567 9.8906 9.8915 10.1373 10.1402 10.7263 10.7297 k = 0.5463 0.1550 0.2797 ( 3393 PWs) bands (ev): -21.3746 -21.3737 -17.8093 -17.8040 -17.4924 -17.4892 -17.4773 -17.4769 -9.5598 -9.5551 -7.2084 -7.1973 -6.7818 -6.7569 -6.7468 -6.7419 -3.6827 -3.6722 -3.5855 -3.5800 -2.5794 -2.5767 -2.3193 -2.2712 -2.2267 -2.2244 -1.2726 -1.2633 -1.2516 -1.2491 -0.4362 -0.3352 0.3546 0.3588 0.7209 0.7316 1.3419 1.3629 1.7621 1.8101 1.9438 1.9720 9.0038 9.0109 9.9096 9.9106 10.1614 10.1647 10.7280 10.7316 k = 0.5509 0.1417 0.2873 ( 3393 PWs) bands (ev): -21.3731 -21.3720 -17.8133 -17.8076 -17.4929 -17.4895 -17.4780 -17.4775 -9.5467 -9.5416 -7.2151 -7.2033 -6.7857 -6.7590 -6.7474 -6.7422 -3.6807 -3.6680 -3.5755 -3.5681 -2.5727 -2.5699 -2.3192 -2.2672 -2.2247 -2.2225 -1.2679 -1.2574 -1.2463 -1.2429 -0.4517 -0.3425 0.3000 0.3049 0.7209 0.7292 1.3624 1.3855 1.7312 1.7848 1.9416 1.9723 9.0612 9.0687 9.9302 9.9313 10.1871 10.1908 10.7295 10.7334 k = 0.5556 0.1283 0.2948 ( 3387 PWs) bands (ev): -21.3714 -21.3702 -17.8174 -17.8113 -17.4935 -17.4897 -17.4786 -17.4780 -9.5329 -9.5273 -7.2223 -7.2098 -6.7895 -6.7612 -6.7479 -6.7425 -3.6790 -3.6642 -3.5643 -3.5550 -2.5668 -2.5638 -2.3174 -2.2624 -2.2214 -2.2195 -1.2630 -1.2513 -1.2410 -1.2363 -0.4677 -0.3507 0.2439 0.2493 0.7198 0.7253 1.3821 1.4074 1.7007 1.7598 1.9394 1.9725 9.1217 9.1293 9.9524 9.9537 10.2140 10.2182 10.7309 10.7351 k = 0.5602 0.1149 0.3024 ( 3387 PWs) bands (ev): -21.3696 -21.3684 -17.8218 -17.8153 -17.4941 -17.4900 -17.4793 -17.4786 -9.5184 -9.5125 -7.2301 -7.2170 -6.7931 -6.7635 -6.7484 -6.7427 -3.6776 -3.6608 -3.5522 -3.5412 -2.5622 -2.5588 -2.3136 -2.2562 -2.2167 -2.2155 -1.2582 -1.2453 -1.2356 -1.2296 -0.4839 -0.3595 0.1866 0.1924 0.7174 0.7195 1.4009 1.4282 1.6713 1.7358 1.9371 1.9725 9.1845 9.1923 9.9762 9.9776 10.2417 10.2463 10.7322 10.7367 k = 0.5648 0.1016 0.3100 ( 3391 PWs) bands (ev): -21.3679 -21.3666 -17.8262 -17.8195 -17.4946 -17.4903 -17.4800 -17.4791 -9.5034 -9.4972 -7.2383 -7.2247 -6.7965 -6.7657 -6.7488 -6.7431 -3.6766 -3.6578 -3.5392 -3.5266 -2.5593 -2.5554 -2.3073 -2.2483 -2.2105 -2.2102 -1.2535 -1.2394 -1.2305 -1.2228 -0.5003 -0.3690 0.1284 0.1347 0.7117 0.7132 1.4186 1.4482 1.6435 1.7133 1.9347 1.9723 9.2490 9.2568 10.0013 10.0030 10.2698 10.2749 10.7335 10.7383 k = 0.5694 0.0882 0.3175 ( 3389 PWs) bands (ev): -21.3660 -21.3647 -17.8307 -17.8237 -17.4952 -17.4906 -17.4806 -17.4797 -9.4881 -9.4816 -7.2470 -7.2329 -6.7995 -6.7678 -6.7492 -6.7434 -3.6757 -3.6553 -3.5256 -3.5116 -2.5586 -2.5537 -2.2981 -2.2383 -2.2034 -2.2027 -1.2491 -1.2339 -1.2257 -1.2161 -0.5167 -0.3787 0.0699 0.0764 0.7016 0.7070 1.4352 1.4671 1.6182 1.6929 1.9323 1.9720 9.3147 9.3223 10.0278 10.0297 10.2977 10.3034 10.7348 10.7398 k = 0.5741 0.0748 0.3251 ( 3390 PWs) bands (ev): -21.3642 -21.3628 -17.8353 -17.8281 -17.4957 -17.4909 -17.4813 -17.4802 -9.4726 -9.4658 -7.2559 -7.2415 -6.8023 -6.7697 -6.7496 -6.7437 -3.6751 -3.6532 -3.5116 -3.4963 -2.5602 -2.5542 -2.2858 -2.2258 -2.1951 -2.1932 -1.2451 -1.2289 -1.2214 -1.2097 -0.5328 -0.3887 0.0112 0.0179 0.6894 0.6985 1.4507 1.4850 1.5959 1.6748 1.9299 1.9716 9.3806 9.3881 10.0555 10.0577 10.3250 10.3311 10.7362 10.7415 k = 0.5787 0.0615 0.3326 ( 3384 PWs) bands (ev): -21.3624 -21.3609 -17.8398 -17.8324 -17.4961 -17.4912 -17.4819 -17.4807 -9.4571 -9.4501 -7.2651 -7.2505 -6.8046 -6.7714 -6.7499 -6.7440 -3.6748 -3.6515 -3.4973 -3.4808 -2.5643 -2.5568 -2.2703 -2.2107 -2.1852 -2.1821 -1.2417 -1.2246 -1.2179 -1.2039 -0.5483 -0.3987 -0.0472 -0.0403 0.6749 0.6878 1.4649 1.5019 1.5772 1.6595 1.9274 1.9709 9.4461 9.4532 10.0844 10.0869 10.3510 10.3576 10.7378 10.7433 k = 0.5833 0.0481 0.3402 ( 3400 PWs) bands (ev): -21.3606 -21.3591 -17.8442 -17.8367 -17.4965 -17.4914 -17.4825 -17.4813 -9.4418 -9.4346 -7.2744 -7.2597 -6.8066 -6.7729 -6.7502 -6.7443 -3.6748 -3.6503 -3.4830 -3.4654 -2.5706 -2.5618 -2.2518 -2.1931 -2.1736 -2.1692 -1.2392 -1.2213 -1.2153 -1.1989 -0.5631 -0.4085 -0.1048 -0.0978 0.6584 0.6746 1.4776 1.5178 1.5625 1.6471 1.9249 1.9700 9.5101 9.5169 10.1145 10.1174 10.3749 10.3820 10.7396 10.7453 k = 0.5880 0.0347 0.3478 ( 3388 PWs) bands (ev): -21.3588 -21.3573 -17.8485 -17.8409 -17.4969 -17.4916 -17.4831 -17.4817 -9.4269 -9.4194 -7.2838 -7.2690 -6.8081 -6.7742 -6.7504 -6.7445 -3.6749 -3.6493 -3.4686 -3.4502 -2.5791 -2.5688 -2.2306 -2.1730 -2.1601 -2.1544 -1.2376 -1.2193 -1.2140 -1.1950 -0.5766 -0.4178 -0.1612 -0.1541 0.6401 0.6595 1.4885 1.5327 1.5523 1.6377 1.9223 1.9690 9.5720 9.5782 10.1459 10.1492 10.3962 10.4036 10.7419 10.7478 k = 0.5926 0.0214 0.3553 ( 3384 PWs) bands (ev): -21.3572 -21.3556 -17.8527 -17.8449 -17.4972 -17.4918 -17.4837 -17.4822 -9.4125 -9.4049 -7.2930 -7.2783 -6.8092 -6.7752 -6.7507 -6.7448 -3.6753 -3.6487 -3.4546 -3.4355 -2.5893 -2.5778 -2.2070 -2.1510 -2.1449 -2.1376 -1.2373 -1.2189 -1.2140 -1.1925 -0.5886 -0.4264 -0.2157 -0.2087 0.6205 0.6424 1.4972 1.5466 1.5471 1.6311 1.9196 1.9678 9.6306 9.6363 10.1784 10.1823 10.4140 10.4217 10.7450 10.7510 k = 0.5972 0.0080 0.3629 ( 3386 PWs) bands (ev): -21.3556 -21.3540 -17.8565 -17.8487 -17.4974 -17.4920 -17.4842 -17.4826 -9.3989 -9.3912 -7.3019 -7.2873 -6.8099 -6.7759 -6.7508 -6.7451 -3.6759 -3.6485 -3.4411 -3.4214 -2.6011 -2.5885 -2.1815 -2.1279 -2.1278 -2.1185 -1.2386 -1.2205 -1.2157 -1.1915 -0.5987 -0.4341 -0.2677 -0.2610 0.5998 0.6238 1.5036 1.5469 1.5594 1.6273 1.9169 1.9663 9.6850 9.6900 10.2119 10.2164 10.4279 10.4356 10.7491 10.7552 k = 0.6019-0.0053 0.3704 ( 3384 PWs) bands (ev): -21.3541 -21.3526 -17.8601 -17.8523 -17.4976 -17.4921 -17.4847 -17.4830 -9.3862 -9.3784 -7.3105 -7.2960 -6.8103 -6.7764 -6.7510 -6.7453 -3.6768 -3.6486 -3.4281 -3.4080 -2.6141 -2.6007 -2.1546 -2.1089 -2.1049 -2.0961 -1.2417 -1.2244 -1.2190 -1.1922 -0.6065 -0.4408 -0.3164 -0.3102 0.5785 0.6042 1.5085 1.5506 1.5713 1.6262 1.9140 1.9646 9.7341 9.7385 10.2460 10.2511 10.4377 10.4451 10.7544 10.7605 k = 0.6065-0.0187 0.3780 ( 3382 PWs) bands (ev): -21.3528 -21.3512 -17.8634 -17.8555 -17.4978 -17.4922 -17.4851 -17.4834 -9.3747 -9.3668 -7.3185 -7.3042 -6.8102 -6.7766 -6.7511 -6.7456 -3.6779 -3.6490 -3.4159 -3.3955 -2.6283 -2.6141 -2.1266 -2.0883 -2.0823 -2.0710 -1.2471 -1.2308 -1.2238 -1.1947 -0.6118 -0.4467 -0.3608 -0.3556 0.5571 0.5840 1.5132 1.5566 1.5821 1.6274 1.9111 1.9627 9.7769 9.7809 10.2793 10.2852 10.4443 10.4512 10.7610 10.7671 k = 0.6111-0.0321 0.3856 ( 3384 PWs) bands (ev): -21.3517 -21.3501 -17.8662 -17.8584 -17.4978 -17.4922 -17.4856 -17.4838 -9.3645 -9.3566 -7.3258 -7.3117 -6.8098 -6.7766 -6.7512 -6.7458 -3.6792 -3.6497 -3.4046 -3.3841 -2.6433 -2.6287 -2.0984 -2.0662 -2.0591 -2.0450 -1.2552 -1.2401 -1.2297 -1.1987 -0.6145 -0.4532 -0.3984 -0.3965 0.5360 0.5637 1.5188 1.5635 1.5918 1.6308 1.9081 1.9605 9.8127 9.8162 10.3087 10.3155 10.4506 10.4564 10.7689 10.7748 k = 0.6157-0.0454 0.3931 ( 3378 PWs) bands (ev): -21.3507 -21.3491 -17.8686 -17.8609 -17.4979 -17.4922 -17.4859 -17.4841 -9.3558 -9.3479 -7.3322 -7.3184 -6.8091 -6.7764 -6.7511 -6.7460 -3.6806 -3.6507 -3.3942 -3.3736 -2.6591 -2.6441 -2.0707 -2.0427 -2.0351 -2.0192 -1.2665 -1.2522 -1.2358 -1.2039 -0.6144 -0.4656 -0.4320 -0.4233 0.5155 0.5438 1.5257 1.5708 1.6006 1.6361 1.9049 1.9581 9.8409 9.8441 10.3282 10.3359 10.4623 10.4668 10.7779 10.7836 k = 0.6204-0.0588 0.4007 ( 3376 PWs) bands (ev): -21.3499 -21.3483 -17.8705 -17.8629 -17.4978 -17.4922 -17.4863 -17.4844 -9.3488 -9.3410 -7.3376 -7.3241 -6.8081 -6.7760 -6.7511 -6.7462 -3.6822 -3.6520 -3.3848 -3.3644 -2.6754 -2.6602 -2.0445 -2.0182 -2.0107 -1.9949 -1.2810 -1.2671 -1.2413 -1.2093 -0.6120 -0.4871 -0.4615 -0.4315 0.4960 0.5246 1.5338 1.5779 1.6085 1.6430 1.9016 1.9554 9.8607 9.8639 10.3326 10.3405 10.4845 10.4879 10.7878 10.7933 k = 0.6250-0.0722 0.4082 ( 3362 PWs) bands (ev): -21.3493 -21.3478 -17.8718 -17.8644 -17.4977 -17.4921 -17.4866 -17.4846 -9.3437 -9.3360 -7.3418 -7.3286 -6.8068 -6.7754 -6.7509 -6.7463 -3.6840 -3.6535 -3.3765 -3.3563 -2.6922 -2.6770 -2.0208 -1.9932 -1.9865 -1.9729 -1.2983 -1.2842 -1.2454 -1.2138 -0.6077 -0.5098 -0.4841 -0.4306 0.4778 0.5066 1.5431 1.5848 1.6156 1.6510 1.8983 1.9525 9.8718 9.8751 10.3231 10.3306 10.5154 10.5182 10.7990 10.8041 k = 0.6250-0.0722 0.4082 ( 3362 PWs) bands (ev): -21.3493 -21.3478 -17.8718 -17.8644 -17.4977 -17.4921 -17.4866 -17.4846 -9.3437 -9.3360 -7.3418 -7.3286 -6.8068 -6.7754 -6.7509 -6.7463 -3.6840 -3.6535 -3.3765 -3.3563 -2.6922 -2.6770 -2.0208 -1.9932 -1.9865 -1.9729 -1.2983 -1.2842 -1.2454 -1.2138 -0.6077 -0.5098 -0.4841 -0.4306 0.4778 0.5066 1.5431 1.5848 1.6156 1.6510 1.8983 1.9525 9.8718 9.8751 10.3231 10.3306 10.5154 10.5182 10.7990 10.8041 k = 0.6172-0.0677 0.4210 ( 3383 PWs) bands (ev): -21.3493 -21.3477 -17.8719 -17.8644 -17.4978 -17.4921 -17.4866 -17.4846 -9.3435 -9.3357 -7.3419 -7.3287 -6.8070 -6.7755 -6.7513 -6.7461 -3.6840 -3.6530 -3.3767 -3.3566 -2.6915 -2.6763 -2.0347 -2.0115 -1.9716 -1.9558 -1.2993 -1.2863 -1.2431 -1.2127 -0.6084 -0.5119 -0.4855 -0.4312 0.4797 0.5090 1.5406 1.5822 1.6163 1.6514 1.8978 1.9533 9.8743 9.8778 10.3236 10.3312 10.5155 10.5182 10.7973 10.8024 k = 0.6094-0.0631 0.4338 ( 3384 PWs) bands (ev): -21.3492 -21.3477 -17.8721 -17.8646 -17.4978 -17.4921 -17.4866 -17.4847 -9.3428 -9.3350 -7.3422 -7.3289 -6.8072 -6.7756 -6.7521 -6.7457 -3.6839 -3.6511 -3.3771 -3.3572 -2.6891 -2.6741 -2.0584 -2.0364 -1.9478 -1.9309 -1.3022 -1.2914 -1.2370 -1.2093 -0.6106 -0.5178 -0.4898 -0.4330 0.4853 0.5163 1.5334 1.5748 1.6182 1.6525 1.8968 1.9559 9.8820 9.8859 10.3254 10.3330 10.5155 10.5182 10.7925 10.7972 k = 0.6016-0.0586 0.4465 ( 3384 PWs) bands (ev): -21.3491 -21.3475 -17.8724 -17.8649 -17.4978 -17.4921 -17.4867 -17.4848 -9.3416 -9.3338 -7.3427 -7.3292 -6.8076 -6.7758 -6.7532 -6.7451 -3.6835 -3.6482 -3.3776 -3.3582 -2.6852 -2.6705 -2.0838 -2.0619 -1.9223 -1.9052 -1.3068 -1.2981 -1.2286 -1.2040 -0.6143 -0.5272 -0.4967 -0.4358 0.4946 0.5281 1.5222 1.5633 1.6208 1.6538 1.8954 1.9597 9.8948 9.8993 10.3283 10.3359 10.5155 10.5181 10.7846 10.7887 k = 0.5938-0.0541 0.4593 ( 3387 PWs) bands (ev): -21.3489 -21.3473 -17.8729 -17.8652 -17.4978 -17.4921 -17.4868 -17.4849 -9.3401 -9.3321 -7.3434 -7.3297 -6.8081 -6.7761 -6.7545 -6.7447 -3.6829 -3.6445 -3.3784 -3.3595 -2.6797 -2.6654 -2.1097 -2.0876 -1.8962 -1.8791 -1.3131 -1.3057 -1.2189 -1.1972 -0.6193 -0.5396 -0.5061 -0.4394 0.5071 0.5437 1.5077 1.5484 1.6237 1.6547 1.8942 1.9642 9.9125 9.9178 10.3322 10.3399 10.5153 10.5180 10.7737 10.7772 k = 0.5859-0.0496 0.4720 ( 3375 PWs) bands (ev): -21.3487 -21.3471 -17.8734 -17.8657 -17.4978 -17.4920 -17.4869 -17.4850 -9.3381 -9.3301 -7.3442 -7.3302 -6.8088 -6.7765 -6.7557 -6.7442 -3.6820 -3.6399 -3.3792 -3.3611 -2.6726 -2.6589 -2.1358 -2.1133 -1.8697 -1.8525 -1.3209 -1.3140 -1.2082 -1.1893 -0.6256 -0.5542 -0.5177 -0.4438 0.5224 0.5624 1.4904 1.5307 1.6264 1.6552 1.8933 1.9690 9.9351 9.9410 10.3372 10.3450 10.5150 10.5178 10.7601 10.7627 k = 0.5781-0.0451 0.4848 ( 3377 PWs) bands (ev): -21.3484 -21.3468 -17.8741 -17.8662 -17.4978 -17.4920 -17.4870 -17.4852 -9.3359 -9.3277 -7.3452 -7.3309 -6.8096 -6.7770 -6.7569 -6.7439 -3.6808 -3.6349 -3.3803 -3.3630 -2.6640 -2.6509 -2.1621 -2.1392 -1.8427 -1.8256 -1.3303 -1.3233 -1.1969 -1.1806 -0.6330 -0.5703 -0.5310 -0.4488 0.5400 0.5837 1.4710 1.5109 1.6290 1.6553 1.8928 1.9738 9.9621 9.9688 10.3430 10.3509 10.5142 10.5174 10.7439 10.7454 k = 0.5703-0.0406 0.4976 ( 3378 PWs) bands (ev): -21.3482 -21.3465 -17.8748 -17.8668 -17.4979 -17.4920 -17.4871 -17.4854 -9.3334 -9.3250 -7.3463 -7.3317 -6.8105 -6.7775 -6.7581 -6.7437 -3.6794 -3.6297 -3.3813 -3.3652 -2.6538 -2.6415 -2.1884 -2.1650 -1.8153 -1.7983 -1.3413 -1.3338 -1.1852 -1.1713 -0.6412 -0.5870 -0.5455 -0.4543 0.5592 0.6066 1.4499 1.4894 1.6314 1.6549 1.8928 1.9784 9.9933 10.0007 10.3496 10.3577 10.5128 10.5167 10.7251 10.7256 k = 0.5625-0.0361 0.5103 ( 3376 PWs) bands (ev): -21.3479 -21.3462 -17.8755 -17.8675 -17.4979 -17.4919 -17.4872 -17.4856 -9.3307 -9.3222 -7.3475 -7.3326 -6.8114 -6.7781 -6.7592 -6.7435 -3.6777 -3.6243 -3.3823 -3.3674 -2.6422 -2.6307 -2.2147 -2.1906 -1.7873 -1.7704 -1.3538 -1.3458 -1.1732 -1.1618 -0.6500 -0.6038 -0.5607 -0.4603 0.5793 0.6306 1.4276 1.4670 1.6335 1.6543 1.8930 1.9826 10.0285 10.0365 10.3568 10.3651 10.5108 10.5155 10.7033 10.7041 k = 0.5547-0.0316 0.5231 ( 3374 PWs) bands (ev): -21.3476 -21.3459 -17.8763 -17.8682 -17.4979 -17.4919 -17.4874 -17.4858 -9.3279 -9.3192 -7.3487 -7.3336 -6.8124 -6.7788 -6.7601 -6.7435 -3.6760 -3.6189 -3.3832 -3.3697 -2.6292 -2.6186 -2.2408 -2.2160 -1.7587 -1.7420 -1.3683 -1.3598 -1.1612 -1.1522 -0.6589 -0.6198 -0.5762 -0.4665 0.5995 0.6547 1.4048 1.4445 1.6353 1.6534 1.8936 1.9864 10.0670 10.0758 10.3645 10.3730 10.5079 10.5137 10.6787 10.6808 k = 0.5469-0.0271 0.5358 ( 3378 PWs) bands (ev): -21.3473 -21.3456 -17.8771 -17.8689 -17.4980 -17.4918 -17.4875 -17.4861 -9.3251 -9.3163 -7.3500 -7.3346 -6.8134 -6.7795 -6.7609 -6.7435 -3.6742 -3.6139 -3.3840 -3.3719 -2.6149 -2.6054 -2.2665 -2.2408 -1.7296 -1.7130 -1.3849 -1.3759 -1.1497 -1.1428 -0.6676 -0.6346 -0.5915 -0.4728 0.6192 0.6783 1.3822 1.4226 1.6370 1.6524 1.8943 1.9897 10.1085 10.1179 10.3725 10.3811 10.5039 10.5112 10.6518 10.6553 k = 0.5391-0.0226 0.5486 ( 3386 PWs) bands (ev): -21.3470 -21.3453 -17.8779 -17.8695 -17.4980 -17.4918 -17.4876 -17.4863 -9.3225 -9.3135 -7.3513 -7.3355 -6.8144 -6.7802 -6.7615 -6.7435 -3.6725 -3.6094 -3.3845 -3.3741 -2.5996 -2.5912 -2.2916 -2.2649 -1.6999 -1.6834 -1.4038 -1.3945 -1.1393 -1.1335 -0.6756 -0.6476 -0.6061 -0.4790 0.6374 0.7003 1.3605 1.4022 1.6385 1.6513 1.8950 1.9925 10.1524 10.1625 10.3805 10.3892 10.4986 10.5075 10.6228 10.6278 k = 0.5312-0.0180 0.5613 ( 3380 PWs) bands (ev): -21.3467 -21.3450 -17.8786 -17.8701 -17.4980 -17.4918 -17.4877 -17.4864 -9.3200 -9.3110 -7.3524 -7.3365 -6.8152 -6.7808 -6.7620 -6.7435 -3.6709 -3.6054 -3.3847 -3.3761 -2.5836 -2.5765 -2.3155 -2.2875 -1.6695 -1.6532 -1.4251 -1.4155 -1.1306 -1.1244 -0.6825 -0.6586 -0.6194 -0.4848 0.6535 0.7201 1.3407 1.3843 1.6398 1.6501 1.8958 1.9948 10.1981 10.2090 10.3884 10.3969 10.4915 10.5023 10.5922 10.5988 k = 0.5234-0.0135 0.5741 ( 3388 PWs) bands (ev): -21.3465 -21.3447 -17.8792 -17.8706 -17.4981 -17.4917 -17.4877 -17.4866 -9.3179 -9.3088 -7.3534 -7.3373 -6.8159 -6.7813 -6.7624 -6.7436 -3.6696 -3.6022 -3.3847 -3.3780 -2.5679 -2.5622 -2.3375 -2.3081 -1.6386 -1.6225 -1.4490 -1.4389 -1.1238 -1.1161 -0.6880 -0.6675 -0.6309 -0.4900 0.6668 0.7366 1.3238 1.3694 1.6410 1.6490 1.8964 1.9965 10.2444 10.2565 10.3961 10.4039 10.4818 10.4946 10.5611 10.5693 k = 0.5156-0.0090 0.5869 ( 3388 PWs) bands (ev): -21.3463 -21.3445 -17.8796 -17.8711 -17.4981 -17.4917 -17.4878 -17.4867 -9.3163 -9.3070 -7.3543 -7.3380 -6.8165 -6.7818 -6.7627 -6.7436 -3.6686 -3.5999 -3.3844 -3.3796 -2.5537 -2.5494 -2.3562 -2.3252 -1.6074 -1.5915 -1.4753 -1.4646 -1.1188 -1.1095 -0.6918 -0.6744 -0.6396 -0.4941 0.6767 0.7490 1.3108 1.3583 1.6420 1.6481 1.8969 1.9978 10.2892 10.3041 10.4039 10.4091 10.4682 10.4814 10.5335 10.5423 k = 0.5078-0.0045 0.5996 ( 3388 PWs) bands (ev): -21.3462 -21.3444 -17.8800 -17.8713 -17.4981 -17.4917 -17.4878 -17.4868 -9.3152 -9.3059 -7.3548 -7.3385 -6.8169 -6.7820 -6.7628 -6.7436 -3.6679 -3.5984 -3.3838 -3.3809 -2.5430 -2.5402 -2.3694 -2.3370 -1.5773 -1.5605 -1.5034 -1.4915 -1.1158 -1.1052 -0.6939 -0.6789 -0.6450 -0.4969 0.6828 0.7567 1.3027 1.3515 1.6427 1.6473 1.8973 1.9985 10.3271 10.3495 10.4076 10.4150 10.4512 10.4589 10.5156 10.5223 k = 0.5000-0.0000 0.6124 ( 3380 PWs) bands (ev): -21.3462 -21.3444 -17.8801 -17.8714 -17.4981 -17.4917 -17.4878 -17.4868 -9.3148 -9.3055 -7.3550 -7.3386 -6.8170 -6.7821 -6.7628 -6.7436 -3.6677 -3.5979 -3.3833 -3.3814 -2.5388 -2.5368 -2.3743 -2.3413 -1.5586 -1.5327 -1.5298 -1.5095 -1.1148 -1.1037 -0.6946 -0.6806 -0.6468 -0.4978 0.6848 0.7592 1.3000 1.3492 1.6430 1.6470 1.8974 1.9988 10.3438 10.3823 10.3940 10.4330 10.4332 10.4428 10.5093 10.5143 k = 0.5000-0.0000 0.6124 ( 3380 PWs) bands (ev): -21.3462 -21.3444 -17.8801 -17.8714 -17.4981 -17.4917 -17.4878 -17.4868 -9.3148 -9.3055 -7.3550 -7.3386 -6.8170 -6.7821 -6.7628 -6.7436 -3.6677 -3.5979 -3.3833 -3.3814 -2.5388 -2.5368 -2.3743 -2.3413 -1.5586 -1.5327 -1.5298 -1.5095 -1.1148 -1.1037 -0.6946 -0.6806 -0.6468 -0.4978 0.6848 0.7592 1.3000 1.3492 1.6430 1.6470 1.8974 1.9988 10.3438 10.3823 10.3940 10.4330 10.4332 10.4428 10.5093 10.5143 k = 0.5000 0.0093 0.5992 ( 3382 PWs) bands (ev): -21.3463 -21.3445 -17.8798 -17.8712 -17.4981 -17.4917 -17.4878 -17.4868 -9.3157 -9.3064 -7.3544 -7.3380 -6.8170 -6.7821 -6.7628 -6.7436 -3.6678 -3.5981 -3.3850 -3.3811 -2.5391 -2.5362 -2.3742 -2.3409 -1.5918 -1.5757 -1.4890 -1.4780 -1.1154 -1.1043 -0.6948 -0.6772 -0.6423 -0.4972 0.6852 0.7596 1.3006 1.3499 1.6421 1.6472 1.8975 1.9987 10.3222 10.3405 10.4278 10.4308 10.4385 10.4501 10.5114 10.5174 k = 0.5000 0.0186 0.5860 ( 3386 PWs) bands (ev): -21.3465 -21.3448 -17.8791 -17.8705 -17.4981 -17.4918 -17.4877 -17.4866 -9.3183 -9.3091 -7.3526 -7.3362 -6.8169 -6.7820 -6.7626 -6.7435 -3.6680 -3.5986 -3.3887 -3.3816 -2.5395 -2.5350 -2.3739 -2.3400 -1.6402 -1.6241 -1.4457 -1.4363 -1.1172 -1.1058 -0.6947 -0.6669 -0.6296 -0.4951 0.6865 0.7606 1.3025 1.3518 1.6400 1.6473 1.8977 1.9985 10.2779 10.2894 10.4151 10.4235 10.4692 10.4792 10.5179 10.5252 k = 0.5000 0.0279 0.5729 ( 3386 PWs) bands (ev): -21.3470 -21.3452 -17.8779 -17.8693 -17.4981 -17.4918 -17.4875 -17.4864 -9.3227 -9.3135 -7.3496 -7.3333 -6.8168 -6.7818 -6.7624 -6.7435 -3.6683 -3.5993 -3.3938 -3.3835 -2.5396 -2.5334 -2.3733 -2.3383 -1.6900 -1.6736 -1.4057 -1.3970 -1.1202 -1.1084 -0.6929 -0.6496 -0.6101 -0.4918 0.6885 0.7623 1.3059 1.3551 1.6369 1.6471 1.8981 1.9982 10.2254 10.2345 10.3967 10.4043 10.4975 10.5008 10.5317 10.5385 k = 0.5000 0.0372 0.5597 ( 3380 PWs) bands (ev): -21.3477 -21.3459 -17.8762 -17.8677 -17.4981 -17.4919 -17.4872 -17.4861 -9.3287 -9.3195 -7.3456 -7.3292 -6.8166 -6.7815 -6.7620 -6.7433 -3.6687 -3.6003 -3.4002 -3.3867 -2.5395 -2.5316 -2.3725 -2.3361 -1.7397 -1.7233 -1.3704 -1.3611 -1.1243 -1.1120 -0.6887 -0.6254 -0.5843 -0.4871 0.6913 0.7646 1.3106 1.3597 1.6330 1.6464 1.8987 1.9977 10.1679 10.1762 10.3746 10.3814 10.5081 10.5119 10.5548 10.5609 k = 0.5000 0.0466 0.5465 ( 3374 PWs) bands (ev): -21.3485 -21.3468 -17.8741 -17.8656 -17.4981 -17.4919 -17.4869 -17.4858 -9.3363 -9.3272 -7.3405 -7.3241 -6.8164 -6.7811 -6.7616 -6.7431 -3.6693 -3.6017 -3.4077 -3.3913 -2.5392 -2.5297 -2.3714 -2.3332 -1.7885 -1.7725 -1.3404 -1.3292 -1.1293 -1.1166 -0.6820 -0.5945 -0.5527 -0.4810 0.6945 0.7672 1.3168 1.3655 1.6282 1.6454 1.8995 1.9971 10.1068 10.1147 10.3499 10.3560 10.5085 10.5150 10.5805 10.5864 k = 0.5000 0.0559 0.5334 ( 3374 PWs) bands (ev): -21.3496 -21.3478 -17.8716 -17.8631 -17.4980 -17.4920 -17.4865 -17.4853 -9.3453 -9.3364 -7.3344 -7.3181 -6.8160 -6.7806 -6.7611 -6.7429 -3.6700 -3.6033 -3.4165 -3.3972 -2.5387 -2.5279 -2.3700 -2.3300 -1.8361 -1.8206 -1.3157 -1.3020 -1.1353 -1.1221 -0.6729 -0.5574 -0.5158 -0.4730 0.6982 0.7699 1.3246 1.3727 1.6226 1.6442 1.9004 1.9965 10.0427 10.0505 10.3232 10.3287 10.5045 10.5122 10.6047 10.6104 k = 0.5000 0.0652 0.5202 ( 3376 PWs) bands (ev): -21.3507 -21.3490 -17.8687 -17.8603 -17.4979 -17.4920 -17.4861 -17.4849 -9.3558 -9.3470 -7.3275 -7.3112 -6.8155 -6.7800 -6.7606 -6.7427 -3.6707 -3.6052 -3.4263 -3.4043 -2.5381 -2.5262 -2.3683 -2.3262 -1.8819 -1.8672 -1.2958 -1.2797 -1.1420 -1.1285 -0.6618 -0.5149 -0.4790 -0.4579 0.7020 0.7727 1.3339 1.3812 1.6162 1.6428 1.9015 1.9957 9.9761 9.9839 10.2950 10.3000 10.4967 10.5050 10.6264 10.6318 k = 0.5000 0.0745 0.5070 ( 3374 PWs) bands (ev): -21.3520 -21.3503 -17.8654 -17.8571 -17.4978 -17.4920 -17.4856 -17.4844 -9.3674 -9.3588 -7.3199 -7.3036 -6.8148 -6.7792 -6.7600 -6.7425 -3.6716 -3.6074 -3.4370 -3.4127 -2.5375 -2.5247 -2.3663 -2.3221 -1.9256 -1.9118 -1.2804 -1.2623 -1.1495 -1.1356 -0.6489 -0.4718 -0.4567 -0.4175 0.7059 0.7754 1.3446 1.3910 1.6092 1.6415 1.9029 1.9948 9.9074 9.9153 10.2659 10.2703 10.4855 10.4940 10.6454 10.6507 k = 0.5000 0.0838 0.4938 ( 3376 PWs) bands (ev): -21.3535 -21.3518 -17.8619 -17.8536 -17.4976 -17.4919 -17.4851 -17.4839 -9.3802 -9.3718 -7.3116 -7.2955 -6.8139 -6.7783 -6.7593 -6.7423 -3.6726 -3.6099 -3.4485 -3.4221 -2.5370 -2.5237 -2.3640 -2.3177 -1.9671 -1.9542 -1.2688 -1.2492 -1.1575 -1.1434 -0.6348 -0.4544 -0.4109 -0.3654 0.7096 0.7777 1.3565 1.4019 1.6015 1.6408 1.9044 1.9939 9.8370 9.8451 10.2360 10.2399 10.4709 10.4794 10.6618 10.6669 k = 0.5000 0.0931 0.4807 ( 3378 PWs) bands (ev): -21.3550 -21.3534 -17.8580 -17.8498 -17.4974 -17.4918 -17.4845 -17.4834 -9.3939 -9.3856 -7.3029 -7.2869 -6.8128 -6.7772 -6.7586 -6.7421 -3.6736 -3.6127 -3.4607 -3.4326 -2.5366 -2.5232 -2.3614 -2.3130 -2.0060 -1.9938 -1.2606 -1.2400 -1.1660 -1.1517 -0.6196 -0.4435 -0.3550 -0.3087 0.7130 0.7795 1.3688 1.4140 1.5935 1.6409 1.9061 1.9929 9.7653 9.7736 10.2057 10.2093 10.4532 10.4615 10.6757 10.6807 k = 0.5000 0.1024 0.4675 ( 3378 PWs) bands (ev): -21.3567 -21.3551 -17.8539 -17.8458 -17.4971 -17.4917 -17.4840 -17.4828 -9.4083 -9.4003 -7.2939 -7.2779 -6.8114 -6.7759 -6.7578 -6.7419 -3.6746 -3.6157 -3.4735 -3.4440 -2.5367 -2.5234 -2.3585 -2.3082 -2.0423 -2.0305 -1.2551 -1.2340 -1.1748 -1.1604 -0.6037 -0.4330 -0.2956 -0.2490 0.7158 0.7807 1.3807 1.4270 1.5858 1.6426 1.9081 1.9919 9.6928 9.7012 10.1754 10.1785 10.4327 10.4408 10.6874 10.6923 k = 0.5000 0.1117 0.4543 ( 3382 PWs) bands (ev): -21.3584 -21.3569 -17.8496 -17.8416 -17.4968 -17.4915 -17.4833 -17.4823 -9.4234 -9.4156 -7.2846 -7.2688 -6.8098 -6.7745 -6.7571 -6.7417 -3.6757 -3.6190 -3.4867 -3.4561 -2.5372 -2.5245 -2.3554 -2.3032 -2.0757 -2.0639 -1.2519 -1.2307 -1.1838 -1.1693 -0.5873 -0.4224 -0.2338 -0.1872 0.7180 0.7813 1.3911 1.4403 1.5792 1.6465 1.9102 1.9908 9.6197 9.6282 10.1452 10.1480 10.4098 10.4175 10.6970 10.7019 k = 0.5000 0.1211 0.4412 ( 3378 PWs) bands (ev): -21.3602 -21.3587 -17.8451 -17.8373 -17.4965 -17.4914 -17.4827 -17.4817 -9.4389 -9.4313 -7.2752 -7.2597 -6.8078 -6.7729 -6.7563 -6.7415 -3.6768 -3.6225 -3.5001 -3.4689 -2.5383 -2.5266 -2.3521 -2.2982 -2.1061 -2.0938 -1.2506 -1.2294 -1.1930 -1.1785 -0.5705 -0.4116 -0.1704 -0.1240 0.7196 0.7812 1.3988 1.4522 1.5757 1.6532 1.9124 1.9896 9.5466 9.5552 10.1153 10.1178 10.3849 10.3921 10.7048 10.7096 k = 0.5000 0.1304 0.4280 ( 3382 PWs) bands (ev): -21.3621 -21.3606 -17.8405 -17.8329 -17.4961 -17.4911 -17.4821 -17.4811 -9.4547 -9.4474 -7.2658 -7.2506 -6.8055 -6.7711 -6.7555 -6.7413 -3.6780 -3.6264 -3.5136 -3.4822 -2.5402 -2.5297 -2.3486 -2.2932 -2.1335 -2.1202 -1.2509 -1.2299 -1.2023 -1.1876 -0.5535 -0.4009 -0.1061 -0.0601 0.7204 0.7803 1.4030 1.4599 1.5781 1.6633 1.9149 1.9885 9.4737 9.4823 10.0860 10.0883 10.3583 10.3650 10.7110 10.7158 k = 0.5000 0.1397 0.4148 ( 3382 PWs) bands (ev): -21.3640 -21.3625 -17.8359 -17.8285 -17.4956 -17.4909 -17.4814 -17.4805 -9.4705 -9.4635 -7.2566 -7.2417 -6.8029 -6.7691 -6.7548 -6.7411 -3.6792 -3.6306 -3.5269 -3.4959 -2.5430 -2.5340 -2.3450 -2.2884 -2.1576 -2.1431 -1.2523 -1.2316 -1.2114 -1.1968 -0.5364 -0.3903 -0.0413 0.0040 0.7205 0.7787 1.4034 1.4605 1.5888 1.6771 1.9174 1.9873 9.4016 9.4102 10.0575 10.0595 10.3305 10.3367 10.7159 10.7206 k = 0.5000 0.1490 0.4017 ( 3390 PWs) bands (ev): -21.3658 -21.3645 -17.8313 -17.8242 -17.4952 -17.4906 -17.4807 -17.4799 -9.4863 -9.4797 -7.2476 -7.2331 -6.8001 -6.7670 -6.7540 -6.7410 -3.6804 -3.6352 -3.5398 -3.5097 -2.5468 -2.5392 -2.3414 -2.2839 -2.1783 -2.1626 -1.2547 -1.2343 -1.2204 -1.2057 -0.5192 -0.3799 0.0233 0.0676 0.7199 0.7764 1.3998 1.4539 1.6077 1.6943 1.9201 1.9860 9.3305 9.3391 10.0298 10.0316 10.3020 10.3077 10.7196 10.7242 k = 0.5000 0.1583 0.3885 ( 3390 PWs) bands (ev): -21.3677 -21.3664 -17.8267 -17.8199 -17.4946 -17.4903 -17.4800 -17.4793 -9.5019 -9.4956 -7.2389 -7.2250 -6.7969 -6.7647 -6.7532 -6.7409 -3.6816 -3.6401 -3.5522 -3.5236 -2.5515 -2.5454 -2.3378 -2.2799 -2.1955 -2.1788 -1.2577 -1.2378 -1.2292 -1.2145 -0.5022 -0.3698 0.0875 0.1304 0.7188 0.7735 1.3926 1.4417 1.6326 1.7147 1.9228 1.9848 9.2611 9.2695 10.0033 10.0049 10.2732 10.2783 10.7223 10.7267 k = 0.5000 0.1676 0.3753 ( 3396 PWs) bands (ev): -21.3695 -21.3683 -17.8222 -17.8157 -17.4941 -17.4900 -17.4794 -17.4787 -9.5171 -9.5111 -7.2306 -7.2173 -6.7934 -6.7624 -6.7524 -6.7408 -3.6829 -3.6454 -3.5639 -3.5372 -2.5571 -2.5523 -2.3342 -2.2766 -2.2092 -2.1919 -1.2613 -1.2418 -1.2376 -1.2229 -0.4854 -0.3603 0.1506 0.1921 0.7173 0.7701 1.3822 1.4258 1.6612 1.7375 1.9256 1.9835 9.1936 9.2018 9.9780 9.9794 10.2444 10.2491 10.7240 10.7284 k = 0.5000 0.1769 0.3622 ( 3396 PWs) bands (ev): -21.3713 -21.3701 -17.8178 -17.8116 -17.4935 -17.4898 -17.4787 -17.4781 -9.5318 -9.5262 -7.2228 -7.2101 -6.7898 -6.7601 -6.7515 -6.7408 -3.6842 -3.6511 -3.5747 -3.5505 -2.5635 -2.5598 -2.3308 -2.2743 -2.2193 -2.2022 -1.2653 -1.2467 -1.2450 -1.2310 -0.4689 -0.3513 0.2125 0.2521 0.7155 0.7662 1.3690 1.4072 1.6920 1.7621 1.9285 1.9821 9.1286 9.1366 9.9541 9.9553 10.2162 10.2204 10.7251 10.7292 k = 0.5000 0.1862 0.3490 ( 3394 PWs) bands (ev): -21.3729 -21.3719 -17.8136 -17.8078 -17.4930 -17.4895 -17.4780 -17.4775 -9.5458 -9.5406 -7.2155 -7.2035 -6.7860 -6.7579 -6.7506 -6.7407 -3.6856 -3.6571 -3.5844 -3.5633 -2.5706 -2.5675 -2.3274 -2.2733 -2.2260 -2.2101 -1.2694 -1.2538 -1.2500 -1.2387 -0.4527 -0.3430 0.2728 0.3103 0.7137 0.7620 1.3535 1.3867 1.7238 1.7877 1.9314 1.9808 9.0666 9.0742 9.9316 9.9327 10.1890 10.1927 10.7255 10.7295 k = 0.5000 0.1956 0.3358 ( 3388 PWs) bands (ev): -21.3745 -21.3736 -17.8096 -17.8042 -17.4924 -17.4892 -17.4773 -17.4770 -9.5591 -9.5543 -7.2087 -7.1976 -6.7820 -6.7559 -6.7495 -6.7406 -3.6871 -3.6634 -3.5930 -3.5753 -2.5780 -2.5753 -2.3242 -2.2738 -2.2296 -2.2158 -1.2736 -1.2609 -1.2544 -1.2458 -0.4370 -0.3355 0.3310 0.3662 0.7119 0.7576 1.3360 1.3647 1.7558 1.8136 1.9343 1.9793 9.0079 9.0152 9.9108 9.9118 10.1629 10.1663 10.7253 10.7291 k = 0.5000 0.2049 0.3226 ( 3386 PWs) bands (ev): -21.3760 -21.3751 -17.8058 -17.8009 -17.4918 -17.4889 -17.4767 -17.4764 -9.5714 -9.5670 -7.2025 -7.1923 -6.7780 -6.7542 -6.7483 -6.7406 -3.6888 -3.6699 -3.6005 -3.5863 -2.5855 -2.5829 -2.3211 -2.2754 -2.2307 -2.2197 -1.2777 -1.2674 -1.2588 -1.2524 -0.4218 -0.3290 0.3869 0.4195 0.7105 0.7531 1.3170 1.3416 1.7874 1.8390 1.9372 1.9778 8.9531 8.9599 9.8916 9.8925 10.1385 10.1414 10.7247 10.7282 k = 0.5000 0.2142 0.3095 ( 3388 PWs) bands (ev): -21.3774 -21.3766 -17.8023 -17.7978 -17.4913 -17.4887 -17.4761 -17.4759 -9.5827 -9.5788 -7.1969 -7.1877 -6.7741 -6.7529 -6.7468 -6.7405 -3.6906 -3.6763 -3.6070 -3.5963 -2.5928 -2.5903 -2.3182 -2.2776 -2.2303 -2.2221 -1.2817 -1.2735 -1.2630 -1.2584 -0.4074 -0.3236 0.4400 0.4697 0.7096 0.7486 1.2968 1.3176 1.8177 1.8634 1.9401 1.9763 8.9026 8.9089 9.8742 9.8750 10.1159 10.1185 10.7235 10.7268 k = 0.5000 0.2235 0.2963 ( 3388 PWs) bands (ev): -21.3787 -21.3779 -17.7991 -17.7952 -17.4908 -17.4885 -17.4755 -17.4754 -9.5929 -9.5894 -7.1919 -7.1837 -6.7703 -6.7519 -6.7453 -6.7404 -3.6927 -3.6825 -3.6126 -3.6049 -2.5996 -2.5972 -2.3153 -2.2801 -2.2291 -2.2234 -1.2854 -1.2788 -1.2669 -1.2638 -0.3936 -0.3192 0.4898 0.5162 0.7095 0.7446 1.2759 1.2933 1.8463 1.8862 1.9429 1.9747 8.8569 8.8626 9.8587 9.8594 10.0955 10.0976 10.7218 10.7248 k = 0.5000 0.2328 0.2831 ( 3384 PWs) bands (ev): -21.3797 -21.3791 -17.7963 -17.7928 -17.4903 -17.4884 -17.4750 -17.4749 -9.6019 -9.5989 -7.1875 -7.1804 -6.7667 -6.7513 -6.7437 -6.7403 -3.6948 -3.6881 -3.6173 -3.6122 -2.6058 -2.6035 -2.3125 -2.2825 -2.2275 -2.2239 -1.2888 -1.2836 -1.2704 -1.2684 -0.3807 -0.3161 0.5355 0.5581 0.7108 0.7412 1.2546 1.2690 1.8727 1.9068 1.9457 1.9730 8.8164 8.8214 9.8451 9.8457 10.0773 10.0792 10.7196 10.7223 k = 0.5000 0.2421 0.2700 ( 3386 PWs) bands (ev): -21.3807 -21.3802 -17.7938 -17.7909 -17.4898 -17.4882 -17.4746 -17.4745 -9.6095 -9.6070 -7.1837 -7.1777 -6.7634 -6.7509 -6.7424 -6.7402 -3.6972 -3.6931 -3.6214 -3.6181 -2.6112 -2.6091 -2.3097 -2.2850 -2.2259 -2.2239 -1.2917 -1.2877 -1.2736 -1.2724 -0.3687 -0.3143 0.5763 0.5944 0.7139 0.7389 1.2338 1.2454 1.8963 1.9247 1.9484 1.9712 8.7815 8.7858 9.8336 9.8340 10.0617 10.0632 10.7168 10.7191 k = 0.5000 0.2514 0.2568 ( 3386 PWs) bands (ev): -21.3815 -21.3810 -17.7916 -17.7893 -17.4894 -17.4882 -17.4742 -17.4742 -9.6159 -9.6139 -7.1805 -7.1756 -6.7605 -6.7508 -6.7412 -6.7400 -3.6994 -3.6973 -3.6248 -3.6226 -2.6157 -2.6139 -2.3070 -2.2874 -2.2245 -2.2235 -1.2942 -1.2911 -1.2763 -1.2757 -0.3577 -0.3137 0.6108 0.6234 0.7198 0.7386 1.2143 1.2233 1.9167 1.9394 1.9511 1.9694 8.7525 8.7560 9.8240 9.8244 10.0487 10.0499 10.7137 10.7156 k = 0.5000 0.2607 0.2436 ( 3392 PWs) bands (ev): -21.3821 -21.3817 -17.7899 -17.7881 -17.4891 -17.4881 -17.4739 -17.4739 -9.6208 -9.6193 -7.1779 -7.1742 -6.7579 -6.7509 -6.7404 -6.7398 -3.7016 -3.7006 -3.6274 -3.6259 -2.6192 -2.6178 -2.3044 -2.2897 -2.2234 -2.2230 -1.2961 -1.2938 -1.2785 -1.2782 -0.3478 -0.3145 0.6371 0.6440 0.7284 0.7407 1.1971 1.2038 1.9336 1.9506 1.9538 1.9674 8.7297 8.7323 9.8166 9.8168 10.0386 10.0394 10.7105 10.7120 k = 0.5000 0.2701 0.2305 ( 3396 PWs) bands (ev): -21.3825 -21.3823 -17.7886 -17.7874 -17.4888 -17.4882 -17.4737 -17.4737 -9.6243 -9.6233 -7.1758 -7.1734 -6.7558 -6.7512 -6.7398 -6.7397 -3.7033 -3.7030 -3.6293 -3.6282 -2.6216 -2.6207 -2.3018 -2.2921 -2.2226 -2.2225 -1.2973 -1.2959 -1.2801 -1.2800 -0.3390 -0.3168 0.6543 0.6567 0.7382 0.7452 1.1835 1.1880 1.9466 1.9558 1.9585 1.9655 8.7133 8.7151 9.8112 9.8114 10.0313 10.0318 10.7079 10.7089 k = 0.5000 0.2794 0.2173 ( 3400 PWs) bands (ev): -21.3827 -21.3826 -17.7876 -17.7871 -17.4886 -17.4882 -17.4736 -17.4736 -9.6263 -9.6258 -7.1744 -7.1731 -6.7541 -6.7518 -6.7395 -6.7395 -3.7044 -3.7044 -3.6302 -3.6296 -2.6230 -2.6226 -2.2993 -2.2944 -2.2221 -2.2221 -1.2980 -1.2973 -1.2811 -1.2811 -0.3315 -0.3203 0.6631 0.6634 0.7464 0.7496 1.1751 1.1774 1.9555 1.9582 1.9620 1.9635 8.7037 8.7046 9.8080 9.8081 10.0269 10.0272 10.7062 10.7067 k = 0.5000 0.2887 0.2041 ( 3426 PWs) bands (ev): -21.3828 -21.3828 -17.7871 -17.7871 -17.4884 -17.4884 -17.4735 -17.4735 -9.6268 -9.6268 -7.1735 -7.1735 -6.7528 -6.7528 -6.7395 -6.7395 -3.7049 -3.7049 -3.6304 -3.6304 -2.6234 -2.6234 -2.2969 -2.2969 -2.2220 -2.2220 -1.2980 -1.2980 -1.2814 -1.2814 -0.3253 -0.3253 0.6655 0.6655 0.7504 0.7504 1.1729 1.1729 1.9593 1.9593 1.9623 1.9623 8.7007 8.7007 9.8070 9.8070 10.0255 10.0255 10.7057 10.7057 k = 0.5000 0.2887 0.2041 ( 3426 PWs) bands (ev): -21.3828 -21.3828 -17.7871 -17.7871 -17.4884 -17.4884 -17.4735 -17.4735 -9.6268 -9.6268 -7.1735 -7.1735 -6.7528 -6.7528 -6.7395 -6.7395 -3.7049 -3.7049 -3.6304 -3.6304 -2.6234 -2.6234 -2.2969 -2.2969 -2.2220 -2.2220 -1.2980 -1.2980 -1.2814 -1.2814 -0.3253 -0.3253 0.6655 0.6655 0.7504 0.7504 1.1729 1.1729 1.9593 1.9593 1.9623 1.9623 8.7007 8.7007 9.8070 9.8070 10.0255 10.0255 10.7057 10.7057 k = 0.4954 0.2860 0.2192 ( 3402 PWs) bands (ev): -21.3827 -21.3826 -17.7876 -17.7871 -17.4886 -17.4882 -17.4736 -17.4736 -9.6263 -9.6258 -7.1744 -7.1731 -6.7541 -6.7518 -6.7395 -6.7395 -3.7044 -3.7044 -3.6302 -3.6297 -2.6230 -2.6226 -2.2993 -2.2944 -2.2221 -2.2221 -1.2980 -1.2973 -1.2811 -1.2811 -0.3315 -0.3204 0.6632 0.6633 0.7464 0.7496 1.1751 1.1773 1.9556 1.9579 1.9624 1.9633 8.7036 8.7045 9.8080 9.8081 10.0269 10.0272 10.7062 10.7067 k = 0.4907 0.2833 0.2344 ( 3398 PWs) bands (ev): -21.3825 -21.3823 -17.7886 -17.7874 -17.4888 -17.4882 -17.4737 -17.4737 -9.6243 -9.6233 -7.1758 -7.1734 -6.7558 -6.7512 -6.7398 -6.7397 -3.7032 -3.7031 -3.6293 -3.6282 -2.6217 -2.6207 -2.3018 -2.2921 -2.2226 -2.2225 -1.2973 -1.2959 -1.2801 -1.2800 -0.3389 -0.3168 0.6555 0.6558 0.7386 0.7450 1.1834 1.1879 1.9471 1.9539 1.9608 1.9647 8.7132 8.7150 9.8112 9.8113 10.0312 10.0318 10.7079 10.7088 k = 0.4861 0.2807 0.2495 ( 3398 PWs) bands (ev): -21.3821 -21.3817 -17.7899 -17.7881 -17.4891 -17.4881 -17.4739 -17.4739 -9.6209 -9.6194 -7.1778 -7.1742 -6.7579 -6.7509 -6.7403 -6.7399 -3.7014 -3.7010 -3.6274 -3.6260 -2.6192 -2.6179 -2.3043 -2.2898 -2.2233 -2.2231 -1.2961 -1.2939 -1.2784 -1.2783 -0.3476 -0.3146 0.6404 0.6411 0.7300 0.7395 1.1969 1.2034 1.9346 1.9466 1.9586 1.9660 8.7293 8.7320 9.8164 9.8167 10.0384 10.0393 10.7105 10.7119 k = 0.4815 0.2780 0.2646 ( 3396 PWs) bands (ev): -21.3815 -21.3811 -17.7916 -17.7893 -17.4894 -17.4882 -17.4742 -17.4742 -9.6160 -9.6140 -7.1804 -7.1756 -6.7604 -6.7508 -6.7411 -6.7402 -3.6989 -3.6981 -3.6245 -3.6230 -2.6158 -2.6140 -2.3069 -2.2874 -2.2242 -2.2239 -1.2942 -1.2912 -1.2761 -1.2760 -0.3575 -0.3137 0.6171 0.6177 0.7235 0.7354 1.2140 1.2227 1.9183 1.9353 1.9564 1.9672 8.7519 8.7553 9.8238 9.8242 10.0485 10.0496 10.7136 10.7155 k = 0.4769 0.2753 0.2797 ( 3391 PWs) bands (ev): -21.3807 -21.3802 -17.7937 -17.7908 -17.4898 -17.4882 -17.4746 -17.4745 -9.6098 -9.6072 -7.1836 -7.1776 -6.7633 -6.7510 -6.7420 -6.7405 -3.6962 -3.6945 -3.6204 -3.6193 -2.6114 -2.6093 -2.3095 -2.2851 -2.2252 -2.2246 -1.2917 -1.2879 -1.2732 -1.2730 -0.3684 -0.3142 0.5861 0.5861 0.7199 0.7333 1.2337 1.2445 1.8985 1.9205 1.9544 1.9683 8.7806 8.7848 9.8332 9.8337 10.0613 10.0628 10.7168 10.7191 k = 0.4722 0.2726 0.2948 ( 3393 PWs) bands (ev): -21.3798 -21.3792 -17.7962 -17.7928 -17.4903 -17.4884 -17.4750 -17.4749 -9.6021 -9.5992 -7.1874 -7.1803 -6.7666 -6.7515 -6.7431 -6.7408 -3.6933 -3.6904 -3.6151 -3.6146 -2.6061 -2.6038 -2.3121 -2.2827 -2.2263 -2.2253 -1.2887 -1.2840 -1.2698 -1.2693 -0.3803 -0.3160 0.5479 0.5487 0.7185 0.7327 1.2549 1.2677 1.8756 1.9026 1.9523 1.9693 8.8151 8.8201 9.8447 9.8452 10.0767 10.0786 10.7198 10.7224 k = 0.4676 0.2700 0.3100 ( 3390 PWs) bands (ev): -21.3787 -21.3780 -17.7990 -17.7951 -17.4908 -17.4885 -17.4755 -17.4754 -9.5933 -9.5898 -7.1918 -7.1836 -6.7702 -6.7523 -6.7442 -6.7411 -3.6903 -3.6859 -3.6090 -3.6084 -2.6000 -2.5975 -2.3146 -2.2802 -2.2272 -2.2258 -1.2853 -1.2795 -1.2659 -1.2651 -0.3931 -0.3191 0.5046 0.5064 0.7186 0.7328 1.2768 1.2917 1.8499 1.8820 1.9503 1.9702 8.8551 8.8608 9.8581 9.8588 10.0947 10.0968 10.7223 10.7252 k = 0.4630 0.2673 0.3251 ( 3385 PWs) bands (ev): -21.3775 -21.3767 -17.8021 -17.7977 -17.4913 -17.4887 -17.4761 -17.4758 -9.5832 -9.5793 -7.1967 -7.1875 -6.7739 -6.7535 -6.7452 -6.7413 -3.6875 -3.6812 -3.6023 -3.6003 -2.5934 -2.5908 -2.3167 -2.2775 -2.2277 -2.2259 -1.2814 -1.2745 -1.2615 -1.2603 -0.4067 -0.3233 0.4574 0.4601 0.7193 0.7330 1.2988 1.3157 1.8221 1.8594 1.9482 1.9709 8.9002 8.9064 9.8735 9.8742 10.1149 10.1175 10.7245 10.7276 k = 0.4583 0.2646 0.3402 ( 3387 PWs) bands (ev): -21.3761 -21.3752 -17.8056 -17.8007 -17.4918 -17.4889 -17.4767 -17.4764 -9.5720 -9.5677 -7.2023 -7.1921 -6.7779 -6.7551 -6.7461 -6.7416 -3.6850 -3.6766 -3.5945 -3.5908 -2.5864 -2.5837 -2.3184 -2.2745 -2.2276 -2.2255 -1.2771 -1.2691 -1.2567 -1.2549 -0.4211 -0.3287 0.4073 0.4107 0.7202 0.7327 1.3206 1.3396 1.7926 1.8352 1.9460 1.9715 8.9500 8.9567 9.8906 9.8915 10.1373 10.1402 10.7263 10.7297 k = 0.4537 0.2619 0.3553 ( 3393 PWs) bands (ev): -21.3746 -21.3737 -17.8093 -17.8040 -17.4924 -17.4892 -17.4773 -17.4769 -9.5598 -9.5551 -7.2084 -7.1973 -6.7818 -6.7569 -6.7468 -6.7419 -3.6827 -3.6722 -3.5855 -3.5800 -2.5794 -2.5767 -2.3193 -2.2712 -2.2267 -2.2244 -1.2726 -1.2633 -1.2516 -1.2491 -0.4362 -0.3352 0.3546 0.3588 0.7209 0.7316 1.3419 1.3629 1.7621 1.8101 1.9438 1.9720 9.0038 9.0109 9.9096 9.9106 10.1614 10.1647 10.7280 10.7316 k = 0.4491 0.2593 0.3704 ( 3393 PWs) bands (ev): -21.3731 -21.3720 -17.8133 -17.8076 -17.4929 -17.4895 -17.4780 -17.4775 -9.5467 -9.5416 -7.2151 -7.2033 -6.7857 -6.7590 -6.7474 -6.7422 -3.6807 -3.6680 -3.5755 -3.5681 -2.5727 -2.5699 -2.3192 -2.2672 -2.2247 -2.2225 -1.2679 -1.2574 -1.2463 -1.2429 -0.4517 -0.3425 0.3000 0.3049 0.7209 0.7292 1.3624 1.3855 1.7312 1.7848 1.9416 1.9723 9.0612 9.0687 9.9302 9.9313 10.1871 10.1908 10.7295 10.7334 k = 0.4444 0.2566 0.3856 ( 3387 PWs) bands (ev): -21.3714 -21.3702 -17.8174 -17.8113 -17.4935 -17.4897 -17.4786 -17.4780 -9.5329 -9.5273 -7.2223 -7.2098 -6.7895 -6.7612 -6.7479 -6.7425 -3.6790 -3.6642 -3.5643 -3.5550 -2.5668 -2.5638 -2.3174 -2.2624 -2.2214 -2.2195 -1.2630 -1.2513 -1.2410 -1.2363 -0.4677 -0.3507 0.2439 0.2493 0.7198 0.7253 1.3821 1.4074 1.7007 1.7598 1.9394 1.9725 9.1217 9.1293 9.9524 9.9537 10.2140 10.2182 10.7309 10.7351 k = 0.4398 0.2539 0.4007 ( 3387 PWs) bands (ev): -21.3696 -21.3684 -17.8218 -17.8153 -17.4941 -17.4900 -17.4793 -17.4786 -9.5184 -9.5125 -7.2301 -7.2170 -6.7931 -6.7635 -6.7484 -6.7427 -3.6776 -3.6608 -3.5522 -3.5412 -2.5622 -2.5588 -2.3136 -2.2562 -2.2167 -2.2155 -1.2582 -1.2453 -1.2356 -1.2296 -0.4839 -0.3595 0.1866 0.1924 0.7174 0.7195 1.4009 1.4282 1.6713 1.7358 1.9371 1.9725 9.1845 9.1923 9.9762 9.9776 10.2417 10.2463 10.7322 10.7367 k = 0.4352 0.2513 0.4158 ( 3391 PWs) bands (ev): -21.3679 -21.3666 -17.8262 -17.8195 -17.4946 -17.4903 -17.4800 -17.4791 -9.5034 -9.4972 -7.2383 -7.2247 -6.7965 -6.7657 -6.7488 -6.7431 -3.6766 -3.6578 -3.5392 -3.5266 -2.5593 -2.5554 -2.3073 -2.2483 -2.2105 -2.2102 -1.2535 -1.2394 -1.2305 -1.2228 -0.5003 -0.3690 0.1284 0.1347 0.7117 0.7132 1.4186 1.4482 1.6435 1.7133 1.9347 1.9723 9.2490 9.2568 10.0013 10.0030 10.2698 10.2749 10.7335 10.7383 k = 0.4306 0.2486 0.4309 ( 3389 PWs) bands (ev): -21.3660 -21.3647 -17.8307 -17.8237 -17.4952 -17.4906 -17.4806 -17.4797 -9.4881 -9.4816 -7.2470 -7.2329 -6.7995 -6.7678 -6.7492 -6.7434 -3.6757 -3.6553 -3.5256 -3.5116 -2.5586 -2.5537 -2.2981 -2.2383 -2.2034 -2.2027 -1.2491 -1.2339 -1.2257 -1.2161 -0.5167 -0.3787 0.0699 0.0764 0.7016 0.7070 1.4352 1.4671 1.6182 1.6929 1.9323 1.9720 9.3147 9.3223 10.0278 10.0297 10.2977 10.3034 10.7348 10.7398 k = 0.4259 0.2459 0.4460 ( 3390 PWs) bands (ev): -21.3642 -21.3628 -17.8353 -17.8281 -17.4957 -17.4909 -17.4813 -17.4802 -9.4726 -9.4658 -7.2559 -7.2415 -6.8023 -6.7697 -6.7496 -6.7437 -3.6751 -3.6532 -3.5116 -3.4963 -2.5602 -2.5542 -2.2858 -2.2258 -2.1951 -2.1932 -1.2451 -1.2289 -1.2214 -1.2097 -0.5328 -0.3887 0.0112 0.0179 0.6894 0.6985 1.4507 1.4850 1.5959 1.6748 1.9299 1.9716 9.3806 9.3881 10.0555 10.0577 10.3250 10.3311 10.7362 10.7415 k = 0.4213 0.2432 0.4612 ( 3384 PWs) bands (ev): -21.3624 -21.3609 -17.8398 -17.8324 -17.4961 -17.4912 -17.4819 -17.4807 -9.4571 -9.4501 -7.2651 -7.2505 -6.8046 -6.7714 -6.7499 -6.7440 -3.6748 -3.6515 -3.4973 -3.4808 -2.5643 -2.5568 -2.2703 -2.2107 -2.1852 -2.1821 -1.2417 -1.2246 -1.2179 -1.2039 -0.5483 -0.3987 -0.0472 -0.0403 0.6749 0.6878 1.4649 1.5019 1.5772 1.6595 1.9274 1.9709 9.4461 9.4532 10.0844 10.0869 10.3510 10.3576 10.7378 10.7433 k = 0.4167 0.2406 0.4763 ( 3400 PWs) bands (ev): -21.3606 -21.3591 -17.8442 -17.8367 -17.4965 -17.4914 -17.4825 -17.4813 -9.4418 -9.4346 -7.2744 -7.2597 -6.8066 -6.7729 -6.7502 -6.7443 -3.6748 -3.6503 -3.4830 -3.4654 -2.5706 -2.5618 -2.2518 -2.1931 -2.1736 -2.1692 -1.2392 -1.2213 -1.2153 -1.1989 -0.5631 -0.4085 -0.1048 -0.0978 0.6584 0.6746 1.4776 1.5178 1.5625 1.6471 1.9249 1.9700 9.5101 9.5169 10.1145 10.1174 10.3749 10.3820 10.7396 10.7453 k = 0.4120 0.2379 0.4914 ( 3388 PWs) bands (ev): -21.3588 -21.3573 -17.8485 -17.8409 -17.4969 -17.4916 -17.4831 -17.4817 -9.4269 -9.4194 -7.2838 -7.2690 -6.8081 -6.7742 -6.7504 -6.7445 -3.6749 -3.6493 -3.4686 -3.4502 -2.5791 -2.5688 -2.2306 -2.1730 -2.1601 -2.1544 -1.2376 -1.2193 -1.2140 -1.1950 -0.5766 -0.4178 -0.1612 -0.1541 0.6401 0.6595 1.4885 1.5327 1.5523 1.6377 1.9223 1.9690 9.5720 9.5782 10.1459 10.1492 10.3962 10.4036 10.7419 10.7478 k = 0.4074 0.2352 0.5065 ( 3384 PWs) bands (ev): -21.3572 -21.3556 -17.8527 -17.8449 -17.4972 -17.4918 -17.4837 -17.4822 -9.4125 -9.4049 -7.2930 -7.2783 -6.8092 -6.7752 -6.7507 -6.7448 -3.6753 -3.6487 -3.4546 -3.4355 -2.5893 -2.5778 -2.2070 -2.1510 -2.1449 -2.1376 -1.2373 -1.2189 -1.2140 -1.1925 -0.5886 -0.4264 -0.2157 -0.2087 0.6205 0.6424 1.4972 1.5466 1.5471 1.6311 1.9196 1.9678 9.6306 9.6363 10.1784 10.1823 10.4140 10.4217 10.7450 10.7510 k = 0.4028 0.2325 0.5217 ( 3386 PWs) bands (ev): -21.3556 -21.3540 -17.8565 -17.8487 -17.4974 -17.4920 -17.4842 -17.4826 -9.3989 -9.3912 -7.3019 -7.2873 -6.8099 -6.7759 -6.7508 -6.7451 -3.6759 -3.6485 -3.4411 -3.4214 -2.6011 -2.5885 -2.1815 -2.1279 -2.1278 -2.1185 -1.2386 -1.2205 -1.2157 -1.1915 -0.5987 -0.4341 -0.2677 -0.2610 0.5998 0.6238 1.5036 1.5469 1.5594 1.6273 1.9169 1.9663 9.6850 9.6900 10.2119 10.2164 10.4279 10.4356 10.7491 10.7552 k = 0.3981 0.2299 0.5368 ( 3384 PWs) bands (ev): -21.3541 -21.3526 -17.8601 -17.8523 -17.4976 -17.4921 -17.4847 -17.4830 -9.3862 -9.3784 -7.3105 -7.2960 -6.8103 -6.7764 -6.7510 -6.7453 -3.6768 -3.6486 -3.4281 -3.4080 -2.6141 -2.6007 -2.1546 -2.1089 -2.1049 -2.0961 -1.2417 -1.2244 -1.2190 -1.1922 -0.6065 -0.4408 -0.3164 -0.3102 0.5785 0.6042 1.5085 1.5506 1.5713 1.6262 1.9140 1.9646 9.7341 9.7385 10.2460 10.2511 10.4377 10.4451 10.7544 10.7605 k = 0.3935 0.2272 0.5519 ( 3382 PWs) bands (ev): -21.3528 -21.3512 -17.8634 -17.8555 -17.4978 -17.4922 -17.4851 -17.4834 -9.3747 -9.3668 -7.3185 -7.3042 -6.8102 -6.7766 -6.7511 -6.7456 -3.6779 -3.6490 -3.4159 -3.3955 -2.6283 -2.6141 -2.1266 -2.0883 -2.0823 -2.0710 -1.2471 -1.2308 -1.2238 -1.1947 -0.6118 -0.4467 -0.3608 -0.3556 0.5571 0.5840 1.5132 1.5566 1.5821 1.6274 1.9111 1.9627 9.7769 9.7809 10.2793 10.2852 10.4443 10.4512 10.7610 10.7671 k = 0.3889 0.2245 0.5670 ( 3384 PWs) bands (ev): -21.3517 -21.3501 -17.8662 -17.8584 -17.4978 -17.4922 -17.4856 -17.4838 -9.3645 -9.3566 -7.3258 -7.3117 -6.8098 -6.7766 -6.7512 -6.7458 -3.6792 -3.6497 -3.4046 -3.3841 -2.6433 -2.6287 -2.0984 -2.0662 -2.0591 -2.0450 -1.2552 -1.2401 -1.2297 -1.1987 -0.6145 -0.4532 -0.3984 -0.3965 0.5360 0.5637 1.5188 1.5635 1.5918 1.6308 1.9081 1.9605 9.8127 9.8162 10.3087 10.3155 10.4506 10.4564 10.7689 10.7748 k = 0.3843 0.2219 0.5821 ( 3378 PWs) bands (ev): -21.3507 -21.3491 -17.8686 -17.8609 -17.4979 -17.4922 -17.4859 -17.4841 -9.3558 -9.3479 -7.3322 -7.3184 -6.8091 -6.7764 -6.7511 -6.7460 -3.6806 -3.6507 -3.3942 -3.3736 -2.6591 -2.6441 -2.0707 -2.0427 -2.0351 -2.0192 -1.2665 -1.2522 -1.2358 -1.2039 -0.6144 -0.4656 -0.4320 -0.4233 0.5155 0.5438 1.5257 1.5708 1.6006 1.6361 1.9049 1.9581 9.8409 9.8441 10.3282 10.3359 10.4623 10.4668 10.7779 10.7836 k = 0.3796 0.2192 0.5973 ( 3376 PWs) bands (ev): -21.3499 -21.3483 -17.8705 -17.8629 -17.4978 -17.4922 -17.4863 -17.4844 -9.3488 -9.3410 -7.3376 -7.3241 -6.8081 -6.7760 -6.7511 -6.7462 -3.6822 -3.6520 -3.3848 -3.3644 -2.6754 -2.6602 -2.0445 -2.0182 -2.0107 -1.9949 -1.2810 -1.2671 -1.2413 -1.2093 -0.6120 -0.4871 -0.4615 -0.4315 0.4960 0.5246 1.5338 1.5779 1.6085 1.6430 1.9016 1.9554 9.8607 9.8639 10.3326 10.3405 10.4845 10.4879 10.7878 10.7933 k = 0.3750 0.2165 0.6124 ( 3362 PWs) bands (ev): -21.3493 -21.3478 -17.8718 -17.8644 -17.4977 -17.4921 -17.4866 -17.4846 -9.3437 -9.3360 -7.3418 -7.3286 -6.8068 -6.7754 -6.7509 -6.7462 -3.6840 -3.6535 -3.3765 -3.3563 -2.6922 -2.6770 -2.0208 -1.9932 -1.9865 -1.9729 -1.2983 -1.2842 -1.2454 -1.2138 -0.6077 -0.5098 -0.4841 -0.4306 0.4778 0.5066 1.5431 1.5848 1.6156 1.6510 1.8983 1.9525 9.8718 9.8751 10.3231 10.3306 10.5154 10.5182 10.7990 10.8041 k = 0.6250-0.0722 0.4082 ( 3362 PWs) bands (ev): -21.3493 -21.3478 -17.8718 -17.8644 -17.4977 -17.4921 -17.4866 -17.4846 -9.3437 -9.3360 -7.3418 -7.3286 -6.8068 -6.7754 -6.7509 -6.7463 -3.6840 -3.6535 -3.3765 -3.3563 -2.6922 -2.6770 -2.0208 -1.9932 -1.9865 -1.9729 -1.2983 -1.2842 -1.2454 -1.2138 -0.6077 -0.5098 -0.4841 -0.4306 0.4778 0.5066 1.5431 1.5848 1.6156 1.6510 1.8983 1.9525 9.8718 9.8751 10.3231 10.3306 10.5154 10.5182 10.7990 10.8041 k = 0.6172-0.0857 0.4082 ( 3376 PWs) bands (ev): -21.3486 -21.3471 -17.8735 -17.8663 -17.4976 -17.4920 -17.4870 -17.4849 -9.3372 -9.3297 -7.3476 -7.3350 -6.8044 -6.7743 -6.7507 -6.7465 -3.6873 -3.6566 -3.3637 -3.3440 -2.7204 -2.7053 -1.9838 -1.9515 -1.9475 -1.9380 -1.3288 -1.3141 -1.2512 -1.2209 -0.6023 -0.5471 -0.5116 -0.4227 0.4483 0.4770 1.5602 1.5964 1.6269 1.6658 1.8922 1.9470 9.8807 9.8845 10.2943 10.3005 10.5746 10.5762 10.8204 10.8247 k = 0.6094-0.0992 0.4082 ( 3382 PWs) bands (ev): -21.3479 -21.3465 -17.8748 -17.8679 -17.4973 -17.4918 -17.4875 -17.4853 -9.3318 -9.3245 -7.3529 -7.3409 -6.8017 -6.7731 -6.7503 -6.7467 -3.6906 -3.6600 -3.3511 -3.3319 -2.7471 -2.7326 -1.9475 -1.9116 -1.9101 -1.9011 -1.3575 -1.3423 -1.2582 -1.2294 -0.6116 -0.5858 -0.5222 -0.4120 0.4190 0.4472 1.5781 1.6083 1.6382 1.6814 1.8858 1.9412 9.8858 9.8902 10.2619 10.2666 10.6351 10.6352 10.8435 10.8470 k = 0.6016-0.1128 0.4082 ( 3390 PWs) bands (ev): -21.3474 -21.3461 -17.8759 -17.8693 -17.4971 -17.4916 -17.4879 -17.4856 -9.3272 -9.3203 -7.3575 -7.3462 -6.7987 -6.7719 -6.7499 -6.7469 -3.6939 -3.6637 -3.3388 -3.3204 -2.7723 -2.7586 -1.9122 -1.8786 -1.8693 -1.8629 -1.3840 -1.3682 -1.2660 -1.2389 -0.6382 -0.6252 -0.5142 -0.3999 0.3899 0.4175 1.5963 1.6210 1.6495 1.6976 1.8792 1.9351 9.8873 9.8925 10.2291 10.2324 10.6921 10.6941 10.8680 10.8704 k = 0.5938-0.1263 0.4082 ( 3384 PWs) bands (ev): -21.3470 -21.3457 -17.8767 -17.8705 -17.4968 -17.4914 -17.4883 -17.4859 -9.3235 -9.3169 -7.3617 -7.3510 -6.7956 -6.7707 -6.7492 -6.7469 -3.6971 -3.6676 -3.3268 -3.3093 -2.7957 -2.7830 -1.8783 -1.8476 -1.8296 -1.8252 -1.4079 -1.3914 -1.2742 -1.2487 -0.6728 -0.6648 -0.4976 -0.3872 0.3615 0.3882 1.6138 1.6350 1.6608 1.7140 1.8724 1.9288 9.8855 9.8915 10.1974 10.1993 10.7457 10.7504 10.8936 10.8946 k = 0.5859-0.1398 0.4082 ( 3384 PWs) bands (ev): -21.3466 -21.3454 -17.8773 -17.8715 -17.4964 -17.4912 -17.4887 -17.4862 -9.3204 -9.3142 -7.3654 -7.3554 -6.7924 -6.7696 -6.7485 -6.7469 -3.7003 -3.6718 -3.3154 -3.2988 -2.8173 -2.8056 -1.8459 -1.8186 -1.7916 -1.7890 -1.4285 -1.4113 -1.2822 -1.2583 -0.7105 -0.7047 -0.4780 -0.3747 0.3338 0.3595 1.6295 1.6511 1.6719 1.7304 1.8654 1.9221 9.8807 9.8875 10.1679 10.1685 10.7956 10.8034 10.9192 10.9199 k = 0.5781-0.1534 0.4082 ( 3392 PWs) bands (ev): -21.3464 -21.3452 -17.8777 -17.8723 -17.4961 -17.4909 -17.4890 -17.4865 -9.3181 -9.3123 -7.3686 -7.3594 -6.7892 -6.7687 -6.7477 -6.7469 -3.7034 -3.6762 -3.3046 -3.2891 -2.8369 -2.8264 -1.8155 -1.7915 -1.7560 -1.7553 -1.4450 -1.4270 -1.2898 -1.2673 -0.7494 -0.7446 -0.4576 -0.3626 0.3073 0.3317 1.6431 1.6692 1.6828 1.7465 1.8582 1.9153 9.8732 9.8806 10.1405 10.1412 10.8416 10.8530 10.9439 10.9463 k = 0.5703-0.1669 0.4082 ( 3390 PWs) bands (ev): -21.3461 -21.3451 -17.8780 -17.8730 -17.4958 -17.4907 -17.4894 -17.4867 -9.3162 -9.3109 -7.3713 -7.3630 -6.7861 -6.7679 -6.7467 -6.7467 -3.7062 -3.6806 -3.2945 -3.2801 -2.8545 -2.8452 -1.7874 -1.7667 -1.7254 -1.7243 -1.4562 -1.4374 -1.2966 -1.2753 -0.7889 -0.7845 -0.4375 -0.3514 0.2822 0.3050 1.6553 1.6882 1.6934 1.7620 1.8510 1.9083 9.8633 9.8712 10.1160 10.1176 10.8840 10.8991 10.9683 10.9724 k = 0.5625-0.1804 0.4082 ( 3386 PWs) bands (ev): -21.3460 -21.3450 -17.8781 -17.8736 -17.4954 -17.4905 -17.4897 -17.4870 -9.3147 -9.3099 -7.3737 -7.3662 -6.7830 -6.7672 -6.7464 -6.7458 -3.7087 -3.6851 -3.2850 -3.2720 -2.8702 -2.8620 -1.7617 -1.7443 -1.7006 -1.6979 -1.4604 -1.4413 -1.3022 -1.2821 -0.8285 -0.8242 -0.4182 -0.3414 0.2588 0.2798 1.6668 1.7037 1.7070 1.7767 1.8438 1.9013 9.8517 9.8597 10.0952 10.0975 10.9233 10.9420 10.9921 10.9975 k = 0.5547-0.1940 0.4082 ( 3386 PWs) bands (ev): -21.3458 -21.3450 -17.8781 -17.8742 -17.4950 -17.4904 -17.4899 -17.4872 -9.3137 -9.3094 -7.3756 -7.3690 -6.7801 -6.7667 -6.7461 -6.7448 -3.7109 -3.6895 -3.2764 -3.2647 -2.8838 -2.8767 -1.7389 -1.7245 -1.6822 -1.6785 -1.4564 -1.4376 -1.3064 -1.2876 -0.8679 -0.8635 -0.4001 -0.3327 0.2373 0.2564 1.6778 1.7134 1.7249 1.7901 1.8368 1.8941 9.8390 9.8468 10.0779 10.0806 10.9601 10.9818 11.0149 11.0209 k = 0.5469-0.2075 0.4082 ( 3374 PWs) bands (ev): -21.3457 -21.3450 -17.8781 -17.8746 -17.4946 -17.4906 -17.4898 -17.4874 -9.3128 -9.3091 -7.3772 -7.3715 -6.7775 -6.7664 -6.7456 -6.7440 -3.7126 -3.6938 -3.2686 -3.2584 -2.8954 -2.8895 -1.7189 -1.7075 -1.6703 -1.6666 -1.4438 -1.4263 -1.3089 -1.2915 -0.9068 -0.9022 -0.3834 -0.3255 0.2182 0.2350 1.6884 1.7223 1.7416 1.8016 1.8305 1.8870 9.8260 9.8333 10.0641 10.0668 10.9949 11.0184 11.0367 11.0420 k = 0.5391-0.2210 0.4082 ( 3374 PWs) bands (ev): -21.3456 -21.3450 -17.8779 -17.8750 -17.4943 -17.4909 -17.4896 -17.4876 -9.3122 -9.3091 -7.3785 -7.3737 -6.7751 -6.7662 -6.7451 -6.7432 -3.7140 -3.6979 -3.2619 -3.2532 -2.9051 -2.9002 -1.7021 -1.6934 -1.6642 -1.6610 -1.4246 -1.4092 -1.3095 -1.2939 -0.9446 -0.9397 -0.3684 -0.3201 0.2017 0.2160 1.6986 1.7303 1.7564 1.8093 1.8269 1.8801 9.8136 9.8200 10.0531 10.0557 11.0282 11.0482 11.0602 11.0608 k = 0.5312-0.2345 0.4082 ( 3364 PWs) bands (ev): -21.3455 -21.3450 -17.8777 -17.8754 -17.4939 -17.4912 -17.4894 -17.4878 -9.3117 -9.3092 -7.3794 -7.3755 -6.7730 -6.7662 -6.7445 -6.7426 -3.7148 -3.7017 -3.2560 -3.2490 -2.9128 -2.9090 -1.6884 -1.6820 -1.6619 -1.6595 -1.4018 -1.3892 -1.3080 -1.2942 -0.9805 -0.9756 -0.3550 -0.3164 0.1880 0.1998 1.7084 1.7369 1.7692 1.8097 1.8296 1.8734 9.8025 9.8078 10.0448 10.0470 11.0601 11.0670 11.0753 11.0915 k = 0.5234-0.2481 0.4082 ( 3368 PWs) bands (ev): -21.3455 -21.3451 -17.8775 -17.8757 -17.4935 -17.4915 -17.4891 -17.4880 -9.3113 -9.3094 -7.3799 -7.3770 -6.7713 -6.7663 -6.7439 -6.7423 -3.7151 -3.7051 -3.2512 -3.2459 -2.9187 -2.9159 -1.6779 -1.6735 -1.6618 -1.6602 -1.3795 -1.3699 -1.3036 -1.2920 -1.0133 -1.0085 -0.3435 -0.3145 0.1774 0.1864 1.7175 1.7415 1.7795 1.8061 1.8357 1.8672 9.7933 9.7975 10.0388 10.0405 11.0805 11.0859 11.0918 11.1220 k = 0.5156-0.2616 0.4082 ( 3372 PWs) bands (ev): -21.3454 -21.3452 -17.8772 -17.8760 -17.4932 -17.4918 -17.4889 -17.4882 -9.3110 -9.3097 -7.3802 -7.3783 -6.7699 -6.7667 -6.7433 -6.7422 -3.7149 -3.7081 -3.2476 -3.2440 -2.9228 -2.9209 -1.6703 -1.6677 -1.6623 -1.6615 -1.3617 -1.3553 -1.2960 -1.2872 -1.0408 -1.0367 -0.3339 -0.3146 0.1702 0.1762 1.7260 1.7435 1.7873 1.8023 1.8417 1.8615 9.7867 9.7895 10.0347 10.0359 11.0905 11.0945 11.1204 11.1490 k = 0.5078-0.2751 0.4082 ( 3378 PWs) bands (ev): -21.3453 -21.3452 -17.8769 -17.8763 -17.4928 -17.4922 -17.4887 -17.4883 -9.3107 -9.3101 -7.3802 -7.3792 -6.7687 -6.7671 -6.7428 -6.7422 -3.7140 -3.7106 -3.2450 -3.2432 -2.9250 -2.9241 -1.6659 -1.6651 -1.6624 -1.6623 -1.3506 -1.3475 -1.2868 -1.2818 -1.0595 -1.0570 -0.3262 -0.3165 0.1663 0.1694 1.7333 1.7427 1.7927 1.7992 1.8469 1.8564 9.7828 9.7842 10.0324 10.0331 11.0968 11.0989 11.1463 11.1666 k = 0.5000-0.2887 0.4082 ( 3378 PWs) bands (ev): -21.3453 -21.3453 -17.8766 -17.8766 -17.4925 -17.4925 -17.4885 -17.4885 -9.3104 -9.3104 -7.3798 -7.3798 -6.7678 -6.7678 -6.7424 -6.7424 -3.7126 -3.7126 -3.2436 -3.2436 -2.9255 -2.9255 -1.6647 -1.6647 -1.6622 -1.6622 -1.3461 -1.3461 -1.2809 -1.2809 -1.0654 -1.0654 -0.3204 -0.3204 0.1661 0.1661 1.7391 1.7391 1.7963 1.7963 1.8517 1.8517 9.7820 9.7820 10.0319 10.0319 11.0997 11.0997 11.1649 11.1649 Writing output data file ZnSO4.save init_run : 4.56s CPU 13.10s WALL ( 1 calls) electrons : 621.96s CPU 628.65s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.24s CPU 1.41s WALL ( 1 calls) Called by electrons: c_bands : 621.93s CPU 628.43s WALL ( 1 calls) v_of_rho : 0.12s CPU 0.89s WALL ( 1 calls) v_h : 0.02s CPU 0.03s WALL ( 1 calls) v_xc : 0.09s CPU 0.53s WALL ( 1 calls) newd : 0.35s CPU 0.55s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.06s WALL ( 294 calls) cegterg : 595.26s CPU 599.47s WALL ( 752 calls) Called by sum_band: Called by *egterg: h_psi : 241.74s CPU 249.92s WALL ( 13776 calls) s_psi : 22.20s CPU 22.91s WALL ( 13776 calls) g_psi : 0.53s CPU 0.58s WALL ( 12730 calls) cdiaghg : 248.01s CPU 245.19s WALL ( 13024 calls) cegterg:over : 50.49s CPU 46.70s WALL ( 12730 calls) cegterg:upda : 8.51s CPU 12.11s WALL ( 12730 calls) cegterg:last : 7.31s CPU 8.14s WALL ( 2098 calls) Called by h_psi: h_psi:vloc : 193.94s CPU 200.69s WALL ( 13776 calls) h_psi:vnl : 47.61s CPU 48.39s WALL ( 13776 calls) add_vuspsi : 13.51s CPU 17.80s WALL ( 13776 calls) General routines calbec : 34.05s CPU 30.47s WALL ( 13776 calls) fft : 0.18s CPU 1.04s WALL ( 19 calls) ffts : 0.01s CPU 0.02s WALL ( 4 calls) fftw : 180.99s CPU 185.94s WALL ( 1239736 calls) interpolate : 0.02s CPU 0.06s WALL ( 4 calls) davcio : 0.02s CPU 1.45s WALL ( 588 calls) Parallel routines fft_scatter : 111.75s CPU 115.41s WALL ( 1239759 calls) PWSCF : 11m11.15s CPU 12m16.37s WALL This run was terminated on: 14:48:55 13Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=