Program PWSCF v.5.4.0 starts on 12Feb2017 at 4:40:31 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SrSO4.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 57 32 9 1689 736 117 Max 58 33 10 1692 750 121 Sum 2053 1177 349 60831 26813 4279 bravais-lattice index = 14 lattice parameter (alat) = 9.5541 a.u. unit-cell volume = 616.6726 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 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)= 9.554102 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: /users/gautes/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: /users/gautes/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 Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 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) Sr 10.00 87.62000 Sr( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 2 3 120 deg rotation - cryst. axis [0,0,1] -2C3 -2 -3 120 deg rotation - cryst. axis [0,0,1] E 3s_v 4 5 -6 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 6 -4 -5 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 296 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 2) = ( 0.0113636 -0.0065608 0.0092784), wk = 0.0033784 k( 3) = ( 0.0227273 -0.0131216 0.0185567), wk = 0.0033784 k( 4) = ( 0.0340909 -0.0196824 0.0278351), wk = 0.0033784 k( 5) = ( 0.0454546 -0.0262432 0.0371135), wk = 0.0033784 k( 6) = ( 0.0568182 -0.0328040 0.0463918), wk = 0.0033784 k( 7) = ( 0.0681818 -0.0393648 0.0556702), wk = 0.0033784 k( 8) = ( 0.0795455 -0.0459256 0.0649486), wk = 0.0033784 k( 9) = ( 0.0909091 -0.0524864 0.0742270), wk = 0.0033784 k( 10) = ( 0.1022727 -0.0590472 0.0835053), wk = 0.0033784 k( 11) = ( 0.1136364 -0.0656080 0.0927837), wk = 0.0033784 k( 12) = ( 0.1250000 -0.0721688 0.1020621), wk = 0.0033784 k( 13) = ( 0.1363636 -0.0787296 0.1113404), wk = 0.0033784 k( 14) = ( 0.1477273 -0.0852904 0.1206188), wk = 0.0033784 k( 15) = ( 0.1590909 -0.0918512 0.1298972), wk = 0.0033784 k( 16) = ( 0.1704546 -0.0984120 0.1391756), wk = 0.0033784 k( 17) = ( 0.1818182 -0.1049728 0.1484539), wk = 0.0033784 k( 18) = ( 0.1931818 -0.1115336 0.1577323), wk = 0.0033784 k( 19) = ( 0.2045454 -0.1180944 0.1670107), wk = 0.0033784 k( 20) = ( 0.2159091 -0.1246552 0.1762890), wk = 0.0033784 k( 21) = ( 0.2272727 -0.1312160 0.1855674), wk = 0.0033784 k( 22) = ( 0.2386364 -0.1377768 0.1948458), wk = 0.0033784 k( 23) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0033784 k( 24) = ( 0.2613636 -0.1508984 0.2134025), wk = 0.0033784 k( 25) = ( 0.2727273 -0.1574592 0.2226809), wk = 0.0033784 k( 26) = ( 0.2840909 -0.1640200 0.2319593), wk = 0.0033784 k( 27) = ( 0.2954545 -0.1705808 0.2412376), wk = 0.0033784 k( 28) = ( 0.3068182 -0.1771416 0.2505160), wk = 0.0033784 k( 29) = ( 0.3181818 -0.1837024 0.2597944), wk = 0.0033784 k( 30) = ( 0.3295455 -0.1902632 0.2690727), wk = 0.0033784 k( 31) = ( 0.3409091 -0.1968240 0.2783511), wk = 0.0033784 k( 32) = ( 0.3522727 -0.2033848 0.2876295), wk = 0.0033784 k( 33) = ( 0.3636364 -0.2099456 0.2969078), wk = 0.0033784 k( 34) = ( 0.3750000 -0.2165064 0.3061862), wk = 0.0033784 k( 35) = ( 0.3863636 -0.2230672 0.3154646), wk = 0.0033784 k( 36) = ( 0.3977273 -0.2296279 0.3247430), wk = 0.0033784 k( 37) = ( 0.4090909 -0.2361887 0.3340213), wk = 0.0033784 k( 38) = ( 0.4204545 -0.2427495 0.3432997), wk = 0.0033784 k( 39) = ( 0.4318182 -0.2493103 0.3525781), wk = 0.0033784 k( 40) = ( 0.4431818 -0.2558711 0.3618564), wk = 0.0033784 k( 41) = ( 0.4545455 -0.2624319 0.3711348), wk = 0.0033784 k( 42) = ( 0.4659091 -0.2689927 0.3804132), wk = 0.0033784 k( 43) = ( 0.4772727 -0.2755535 0.3896916), wk = 0.0033784 k( 44) = ( 0.4886364 -0.2821143 0.3989699), wk = 0.0033784 k( 45) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0033784 k( 46) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0033784 k( 47) = ( 0.5000000 -0.2755535 0.4175267), wk = 0.0033784 k( 48) = ( 0.5000000 -0.2624319 0.4268050), wk = 0.0033784 k( 49) = ( 0.5000000 -0.2493103 0.4360834), wk = 0.0033784 k( 50) = ( 0.5000000 -0.2361887 0.4453618), wk = 0.0033784 k( 51) = ( 0.5000000 -0.2230672 0.4546401), wk = 0.0033784 k( 52) = ( 0.5000000 -0.2099456 0.4639185), wk = 0.0033784 k( 53) = ( 0.5000000 -0.1968240 0.4731969), wk = 0.0033784 k( 54) = ( 0.5000000 -0.1837024 0.4824753), wk = 0.0033784 k( 55) = ( 0.5000000 -0.1705808 0.4917536), wk = 0.0033784 k( 56) = ( 0.5000000 -0.1574592 0.5010320), wk = 0.0033784 k( 57) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0033784 k( 58) = ( 0.5000000 -0.1312160 0.5195887), wk = 0.0033784 k( 59) = ( 0.5000000 -0.1180944 0.5288671), wk = 0.0033784 k( 60) = ( 0.5000000 -0.1049728 0.5381455), wk = 0.0033784 k( 61) = ( 0.5000000 -0.0918512 0.5474238), wk = 0.0033784 k( 62) = ( 0.5000000 -0.0787296 0.5567022), wk = 0.0033784 k( 63) = ( 0.5000000 -0.0656080 0.5659806), wk = 0.0033784 k( 64) = ( 0.5000000 -0.0524864 0.5752590), wk = 0.0033784 k( 65) = ( 0.5000000 -0.0393648 0.5845373), wk = 0.0033784 k( 66) = ( 0.5000000 -0.0262432 0.5938157), wk = 0.0033784 k( 67) = ( 0.5000000 -0.0131216 0.6030941), wk = 0.0033784 k( 68) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0033784 k( 69) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0033784 k( 70) = ( 0.4921875 0.0135316 0.6123724), wk = 0.0033784 k( 71) = ( 0.4843750 0.0270633 0.6123724), wk = 0.0033784 k( 72) = ( 0.4765625 0.0405949 0.6123724), wk = 0.0033784 k( 73) = ( 0.4687500 0.0541266 0.6123724), wk = 0.0033784 k( 74) = ( 0.4609375 0.0676582 0.6123724), wk = 0.0033784 k( 75) = ( 0.4531250 0.0811899 0.6123724), wk = 0.0033784 k( 76) = ( 0.4453125 0.0947215 0.6123724), wk = 0.0033784 k( 77) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0033784 k( 78) = ( 0.4296875 0.1217848 0.6123724), wk = 0.0033784 k( 79) = ( 0.4218750 0.1353165 0.6123724), wk = 0.0033784 k( 80) = ( 0.4140625 0.1488481 0.6123724), wk = 0.0033784 k( 81) = ( 0.4062500 0.1623798 0.6123724), wk = 0.0033784 k( 82) = ( 0.3984375 0.1759114 0.6123724), wk = 0.0033784 k( 83) = ( 0.3906250 0.1894431 0.6123724), wk = 0.0033784 k( 84) = ( 0.3828125 0.2029747 0.6123724), wk = 0.0033784 k( 85) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0033784 k( 86) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0033784 k( 87) = ( 0.3670213 0.2118998 0.5993432), wk = 0.0033784 k( 88) = ( 0.3590426 0.2072933 0.5863140), wk = 0.0033784 k( 89) = ( 0.3510638 0.2026868 0.5732848), wk = 0.0033784 k( 90) = ( 0.3430851 0.1980803 0.5602556), wk = 0.0033784 k( 91) = ( 0.3351064 0.1934738 0.5472264), wk = 0.0033784 k( 92) = ( 0.3271277 0.1888672 0.5341972), wk = 0.0033784 k( 93) = ( 0.3191489 0.1842607 0.5211680), wk = 0.0033784 k( 94) = ( 0.3111702 0.1796542 0.5081388), wk = 0.0033784 k( 95) = ( 0.3031915 0.1750477 0.4951096), wk = 0.0033784 k( 96) = ( 0.2952128 0.1704412 0.4820804), wk = 0.0033784 k( 97) = ( 0.2872340 0.1658347 0.4690512), wk = 0.0033784 k( 98) = ( 0.2792553 0.1612281 0.4560220), wk = 0.0033784 k( 99) = ( 0.2712766 0.1566216 0.4429928), wk = 0.0033784 k( 100) = ( 0.2632979 0.1520151 0.4299636), wk = 0.0033784 k( 101) = ( 0.2553191 0.1474086 0.4169344), wk = 0.0033784 k( 102) = ( 0.2473404 0.1428021 0.4039052), wk = 0.0033784 k( 103) = ( 0.2393617 0.1381955 0.3908760), wk = 0.0033784 k( 104) = ( 0.2313830 0.1335890 0.3778468), wk = 0.0033784 k( 105) = ( 0.2234043 0.1289825 0.3648176), wk = 0.0033784 k( 106) = ( 0.2154255 0.1243760 0.3517884), wk = 0.0033784 k( 107) = ( 0.2074468 0.1197695 0.3387592), wk = 0.0033784 k( 108) = ( 0.1994681 0.1151630 0.3257300), wk = 0.0033784 k( 109) = ( 0.1914894 0.1105564 0.3127008), wk = 0.0033784 k( 110) = ( 0.1835106 0.1059499 0.2996716), wk = 0.0033784 k( 111) = ( 0.1755319 0.1013434 0.2866424), wk = 0.0033784 k( 112) = ( 0.1675532 0.0967369 0.2736132), wk = 0.0033784 k( 113) = ( 0.1595745 0.0921304 0.2605840), wk = 0.0033784 k( 114) = ( 0.1515957 0.0875238 0.2475548), wk = 0.0033784 k( 115) = ( 0.1436170 0.0829173 0.2345256), wk = 0.0033784 k( 116) = ( 0.1356383 0.0783108 0.2214964), wk = 0.0033784 k( 117) = ( 0.1276596 0.0737043 0.2084672), wk = 0.0033784 k( 118) = ( 0.1196809 0.0690978 0.1954380), wk = 0.0033784 k( 119) = ( 0.1117021 0.0644913 0.1824088), wk = 0.0033784 k( 120) = ( 0.1037234 0.0598847 0.1693796), wk = 0.0033784 k( 121) = ( 0.0957447 0.0552782 0.1563504), wk = 0.0033784 k( 122) = ( 0.0877660 0.0506717 0.1433212), wk = 0.0033784 k( 123) = ( 0.0797872 0.0460652 0.1302920), wk = 0.0033784 k( 124) = ( 0.0718085 0.0414587 0.1172628), wk = 0.0033784 k( 125) = ( 0.0638298 0.0368521 0.1042336), wk = 0.0033784 k( 126) = ( 0.0558511 0.0322456 0.0912044), wk = 0.0033784 k( 127) = ( 0.0478723 0.0276391 0.0781752), wk = 0.0033784 k( 128) = ( 0.0398936 0.0230326 0.0651460), wk = 0.0033784 k( 129) = ( 0.0319149 0.0184261 0.0521168), wk = 0.0033784 k( 130) = ( 0.0239362 0.0138196 0.0390876), wk = 0.0033784 k( 131) = ( 0.0159575 0.0092130 0.0260584), wk = 0.0033784 k( 132) = ( 0.0079787 0.0046065 0.0130292), wk = 0.0033784 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 135) = ( 0.0128205 0.0074019 0.0052340), wk = 0.0033784 k( 136) = ( 0.0256410 0.0148039 0.0104679), wk = 0.0033784 k( 137) = ( 0.0384615 0.0222058 0.0157019), wk = 0.0033784 k( 138) = ( 0.0512821 0.0296077 0.0209358), wk = 0.0033784 k( 139) = ( 0.0641026 0.0370096 0.0261698), wk = 0.0033784 k( 140) = ( 0.0769231 0.0444116 0.0314037), wk = 0.0033784 k( 141) = ( 0.0897436 0.0518135 0.0366377), wk = 0.0033784 k( 142) = ( 0.1025641 0.0592154 0.0418716), wk = 0.0033784 k( 143) = ( 0.1153846 0.0666173 0.0471056), wk = 0.0033784 k( 144) = ( 0.1282051 0.0740193 0.0523395), wk = 0.0033784 k( 145) = ( 0.1410256 0.0814212 0.0575735), wk = 0.0033784 k( 146) = ( 0.1538461 0.0888231 0.0628074), wk = 0.0033784 k( 147) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0033784 k( 148) = ( 0.1794872 0.1036270 0.0732753), wk = 0.0033784 k( 149) = ( 0.1923077 0.1110289 0.0785093), wk = 0.0033784 k( 150) = ( 0.2051282 0.1184308 0.0837432), wk = 0.0033784 k( 151) = ( 0.2179487 0.1258328 0.0889772), wk = 0.0033784 k( 152) = ( 0.2307692 0.1332347 0.0942111), wk = 0.0033784 k( 153) = ( 0.2435897 0.1406366 0.0994451), wk = 0.0033784 k( 154) = ( 0.2564103 0.1480385 0.1046791), wk = 0.0033784 k( 155) = ( 0.2692308 0.1554405 0.1099130), wk = 0.0033784 k( 156) = ( 0.2820513 0.1628424 0.1151470), wk = 0.0033784 k( 157) = ( 0.2948718 0.1702443 0.1203809), wk = 0.0033784 k( 158) = ( 0.3076923 0.1776462 0.1256149), wk = 0.0033784 k( 159) = ( 0.3205128 0.1850482 0.1308488), wk = 0.0033784 k( 160) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0033784 k( 161) = ( 0.3461538 0.1998520 0.1413167), wk = 0.0033784 k( 162) = ( 0.3589744 0.2072539 0.1465507), wk = 0.0033784 k( 163) = ( 0.3717949 0.2146559 0.1517846), wk = 0.0033784 k( 164) = ( 0.3846154 0.2220578 0.1570186), wk = 0.0033784 k( 165) = ( 0.3974359 0.2294597 0.1622525), wk = 0.0033784 k( 166) = ( 0.4102564 0.2368616 0.1674865), wk = 0.0033784 k( 167) = ( 0.4230769 0.2442636 0.1727204), wk = 0.0033784 k( 168) = ( 0.4358974 0.2516655 0.1779544), wk = 0.0033784 k( 169) = ( 0.4487179 0.2590674 0.1831883), wk = 0.0033784 k( 170) = ( 0.4615385 0.2664694 0.1884223), wk = 0.0033784 k( 171) = ( 0.4743590 0.2738713 0.1936562), wk = 0.0033784 k( 172) = ( 0.4871795 0.2812732 0.1988902), wk = 0.0033784 k( 173) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0033784 k( 174) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0033784 k( 175) = ( 0.5046296 0.2753105 0.2116843), wk = 0.0033784 k( 176) = ( 0.5092593 0.2619460 0.2192445), wk = 0.0033784 k( 177) = ( 0.5138889 0.2485814 0.2268046), wk = 0.0033784 k( 178) = ( 0.5185185 0.2352168 0.2343648), wk = 0.0033784 k( 179) = ( 0.5231482 0.2218522 0.2419249), wk = 0.0033784 k( 180) = ( 0.5277778 0.2084876 0.2494851), wk = 0.0033784 k( 181) = ( 0.5324074 0.1951230 0.2570452), wk = 0.0033784 k( 182) = ( 0.5370370 0.1817584 0.2646054), wk = 0.0033784 k( 183) = ( 0.5416667 0.1683938 0.2721655), wk = 0.0033784 k( 184) = ( 0.5462963 0.1550292 0.2797257), wk = 0.0033784 k( 185) = ( 0.5509259 0.1416646 0.2872858), wk = 0.0033784 k( 186) = ( 0.5555556 0.1283001 0.2948460), wk = 0.0033784 k( 187) = ( 0.5601852 0.1149355 0.3024061), wk = 0.0033784 k( 188) = ( 0.5648148 0.1015709 0.3099663), wk = 0.0033784 k( 189) = ( 0.5694444 0.0882063 0.3175264), wk = 0.0033784 k( 190) = ( 0.5740741 0.0748417 0.3250866), wk = 0.0033784 k( 191) = ( 0.5787037 0.0614771 0.3326468), wk = 0.0033784 k( 192) = ( 0.5833333 0.0481125 0.3402069), wk = 0.0033784 k( 193) = ( 0.5879630 0.0347479 0.3477671), wk = 0.0033784 k( 194) = ( 0.5925926 0.0213833 0.3553272), wk = 0.0033784 k( 195) = ( 0.5972222 0.0080188 0.3628874), wk = 0.0033784 k( 196) = ( 0.6018518 -0.0053458 0.3704475), wk = 0.0033784 k( 197) = ( 0.6064815 -0.0187104 0.3780077), wk = 0.0033784 k( 198) = ( 0.6111111 -0.0320750 0.3855678), wk = 0.0033784 k( 199) = ( 0.6157407 -0.0454396 0.3931280), wk = 0.0033784 k( 200) = ( 0.6203704 -0.0588042 0.4006881), wk = 0.0033784 k( 201) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0033784 k( 202) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0033784 k( 203) = ( 0.6171875 -0.0676582 0.4210060), wk = 0.0033784 k( 204) = ( 0.6093750 -0.0631477 0.4337638), wk = 0.0033784 k( 205) = ( 0.6015625 -0.0586371 0.4465216), wk = 0.0033784 k( 206) = ( 0.5937500 -0.0541266 0.4592793), wk = 0.0033784 k( 207) = ( 0.5859375 -0.0496160 0.4720371), wk = 0.0033784 k( 208) = ( 0.5781250 -0.0451055 0.4847948), wk = 0.0033784 k( 209) = ( 0.5703125 -0.0405949 0.4975526), wk = 0.0033784 k( 210) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0033784 k( 211) = ( 0.5546875 -0.0315738 0.5230681), wk = 0.0033784 k( 212) = ( 0.5468750 -0.0270633 0.5358259), wk = 0.0033784 k( 213) = ( 0.5390625 -0.0225527 0.5485836), wk = 0.0033784 k( 214) = ( 0.5312500 -0.0180422 0.5613414), wk = 0.0033784 k( 215) = ( 0.5234375 -0.0135316 0.5740992), wk = 0.0033784 k( 216) = ( 0.5156250 -0.0090211 0.5868569), wk = 0.0033784 k( 217) = ( 0.5078125 -0.0045105 0.5996147), wk = 0.0033784 k( 218) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0033784 k( 219) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0033784 k( 220) = ( 0.5000000 0.0090211 0.5996147), wk = 0.0033784 k( 221) = ( 0.5000000 0.0180422 0.5868569), wk = 0.0033784 k( 222) = ( 0.5000000 0.0270633 0.5740992), wk = 0.0033784 k( 223) = ( 0.5000000 0.0360844 0.5613414), wk = 0.0033784 k( 224) = ( 0.5000000 0.0451055 0.5485836), wk = 0.0033784 k( 225) = ( 0.5000000 0.0541266 0.5358259), wk = 0.0033784 k( 226) = ( 0.5000000 0.0631477 0.5230681), wk = 0.0033784 k( 227) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0033784 k( 228) = ( 0.5000000 0.0811899 0.4975526), wk = 0.0033784 k( 229) = ( 0.5000000 0.0902110 0.4847948), wk = 0.0033784 k( 230) = ( 0.5000000 0.0992321 0.4720371), wk = 0.0033784 k( 231) = ( 0.5000000 0.1082532 0.4592793), wk = 0.0033784 k( 232) = ( 0.5000000 0.1172743 0.4465216), wk = 0.0033784 k( 233) = ( 0.5000000 0.1262954 0.4337638), wk = 0.0033784 k( 234) = ( 0.5000000 0.1353165 0.4210060), wk = 0.0033784 k( 235) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0033784 k( 236) = ( 0.5000000 0.1533587 0.3954905), wk = 0.0033784 k( 237) = ( 0.5000000 0.1623798 0.3827328), wk = 0.0033784 k( 238) = ( 0.5000000 0.1714009 0.3699750), wk = 0.0033784 k( 239) = ( 0.5000000 0.1804220 0.3572173), wk = 0.0033784 k( 240) = ( 0.5000000 0.1894431 0.3444595), wk = 0.0033784 k( 241) = ( 0.5000000 0.1984642 0.3317017), wk = 0.0033784 k( 242) = ( 0.5000000 0.2074853 0.3189440), wk = 0.0033784 k( 243) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0033784 k( 244) = ( 0.5000000 0.2255274 0.2934285), wk = 0.0033784 k( 245) = ( 0.5000000 0.2345485 0.2806707), wk = 0.0033784 k( 246) = ( 0.5000000 0.2435696 0.2679129), wk = 0.0033784 k( 247) = ( 0.5000000 0.2525907 0.2551552), wk = 0.0033784 k( 248) = ( 0.5000000 0.2616118 0.2423974), wk = 0.0033784 k( 249) = ( 0.5000000 0.2706329 0.2296397), wk = 0.0033784 k( 250) = ( 0.5000000 0.2796540 0.2168819), wk = 0.0033784 k( 251) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0033784 k( 252) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0033784 k( 253) = ( 0.4953704 0.2860022 0.2192445), wk = 0.0033784 k( 254) = ( 0.4907407 0.2833293 0.2343648), wk = 0.0033784 k( 255) = ( 0.4861111 0.2806564 0.2494851), wk = 0.0033784 k( 256) = ( 0.4814815 0.2779835 0.2646054), wk = 0.0033784 k( 257) = ( 0.4768519 0.2753105 0.2797257), wk = 0.0033784 k( 258) = ( 0.4722222 0.2726376 0.2948460), wk = 0.0033784 k( 259) = ( 0.4675926 0.2699647 0.3099663), wk = 0.0033784 k( 260) = ( 0.4629630 0.2672918 0.3250866), wk = 0.0033784 k( 261) = ( 0.4583333 0.2646189 0.3402069), wk = 0.0033784 k( 262) = ( 0.4537037 0.2619460 0.3553272), wk = 0.0033784 k( 263) = ( 0.4490741 0.2592730 0.3704475), wk = 0.0033784 k( 264) = ( 0.4444444 0.2566001 0.3855678), wk = 0.0033784 k( 265) = ( 0.4398148 0.2539272 0.4006881), wk = 0.0033784 k( 266) = ( 0.4351852 0.2512543 0.4158084), wk = 0.0033784 k( 267) = ( 0.4305556 0.2485814 0.4309287), wk = 0.0033784 k( 268) = ( 0.4259259 0.2459085 0.4460491), wk = 0.0033784 k( 269) = ( 0.4212963 0.2432355 0.4611694), wk = 0.0033784 k( 270) = ( 0.4166667 0.2405626 0.4762897), wk = 0.0033784 k( 271) = ( 0.4120370 0.2378897 0.4914100), wk = 0.0033784 k( 272) = ( 0.4074074 0.2352168 0.5065303), wk = 0.0033784 k( 273) = ( 0.4027778 0.2325439 0.5216506), wk = 0.0033784 k( 274) = ( 0.3981481 0.2298709 0.5367709), wk = 0.0033784 k( 275) = ( 0.3935185 0.2271980 0.5518912), wk = 0.0033784 k( 276) = ( 0.3888889 0.2245251 0.5670115), wk = 0.0033784 k( 277) = ( 0.3842593 0.2218522 0.5821318), wk = 0.0033784 k( 278) = ( 0.3796296 0.2191793 0.5972521), wk = 0.0033784 k( 279) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0033784 k( 280) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0033784 k( 281) = ( 0.6171875 -0.0857004 0.4082483), wk = 0.0033784 k( 282) = ( 0.6093750 -0.0992321 0.4082483), wk = 0.0033784 k( 283) = ( 0.6015625 -0.1127637 0.4082483), wk = 0.0033784 k( 284) = ( 0.5937500 -0.1262954 0.4082483), wk = 0.0033784 k( 285) = ( 0.5859375 -0.1398270 0.4082483), wk = 0.0033784 k( 286) = ( 0.5781250 -0.1533587 0.4082483), wk = 0.0033784 k( 287) = ( 0.5703125 -0.1668903 0.4082483), wk = 0.0033784 k( 288) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0033784 k( 289) = ( 0.5546875 -0.1939536 0.4082483), wk = 0.0033784 k( 290) = ( 0.5468750 -0.2074853 0.4082483), wk = 0.0033784 k( 291) = ( 0.5390625 -0.2210169 0.4082483), wk = 0.0033784 k( 292) = ( 0.5312500 -0.2345485 0.4082483), wk = 0.0033784 k( 293) = ( 0.5234375 -0.2480802 0.4082483), wk = 0.0033784 k( 294) = ( 0.5156250 -0.2616118 0.4082483), wk = 0.0033784 k( 295) = ( 0.5078125 -0.2751435 0.4082483), wk = 0.0033784 k( 296) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0033784 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 2) = ( 0.0113636 -0.0000000 0.0113636), wk = 0.0033784 k( 3) = ( 0.0227273 0.0000000 0.0227273), wk = 0.0033784 k( 4) = ( 0.0340909 -0.0000000 0.0340909), wk = 0.0033784 k( 5) = ( 0.0454546 -0.0000000 0.0454546), wk = 0.0033784 k( 6) = ( 0.0568182 -0.0000000 0.0568182), wk = 0.0033784 k( 7) = ( 0.0681818 -0.0000000 0.0681818), wk = 0.0033784 k( 8) = ( 0.0795455 -0.0000000 0.0795455), wk = 0.0033784 k( 9) = ( 0.0909091 -0.0000000 0.0909091), wk = 0.0033784 k( 10) = ( 0.1022727 -0.0000000 0.1022727), wk = 0.0033784 k( 11) = ( 0.1136364 -0.0000000 0.1136364), wk = 0.0033784 k( 12) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0033784 k( 13) = ( 0.1363636 -0.0000000 0.1363636), wk = 0.0033784 k( 14) = ( 0.1477273 0.0000000 0.1477273), wk = 0.0033784 k( 15) = ( 0.1590909 -0.0000000 0.1590909), wk = 0.0033784 k( 16) = ( 0.1704546 -0.0000000 0.1704546), wk = 0.0033784 k( 17) = ( 0.1818182 -0.0000000 0.1818182), wk = 0.0033784 k( 18) = ( 0.1931818 -0.0000000 0.1931818), wk = 0.0033784 k( 19) = ( 0.2045454 -0.0000000 0.2045455), wk = 0.0033784 k( 20) = ( 0.2159091 -0.0000000 0.2159091), wk = 0.0033784 k( 21) = ( 0.2272727 -0.0000000 0.2272727), wk = 0.0033784 k( 22) = ( 0.2386364 -0.0000000 0.2386364), wk = 0.0033784 k( 23) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0033784 k( 24) = ( 0.2613636 0.0000000 0.2613636), wk = 0.0033784 k( 25) = ( 0.2727273 0.0000000 0.2727273), wk = 0.0033784 k( 26) = ( 0.2840909 0.0000000 0.2840909), wk = 0.0033784 k( 27) = ( 0.2954545 -0.0000000 0.2954545), wk = 0.0033784 k( 28) = ( 0.3068182 0.0000000 0.3068182), wk = 0.0033784 k( 29) = ( 0.3181818 -0.0000000 0.3181818), wk = 0.0033784 k( 30) = ( 0.3295455 0.0000000 0.3295455), wk = 0.0033784 k( 31) = ( 0.3409091 -0.0000000 0.3409091), wk = 0.0033784 k( 32) = ( 0.3522727 -0.0000000 0.3522727), wk = 0.0033784 k( 33) = ( 0.3636364 -0.0000000 0.3636364), wk = 0.0033784 k( 34) = ( 0.3750000 -0.0000000 0.3750000), wk = 0.0033784 k( 35) = ( 0.3863636 -0.0000000 0.3863636), wk = 0.0033784 k( 36) = ( 0.3977273 -0.0000000 0.3977273), wk = 0.0033784 k( 37) = ( 0.4090909 -0.0000000 0.4090909), wk = 0.0033784 k( 38) = ( 0.4204545 -0.0000000 0.4204546), wk = 0.0033784 k( 39) = ( 0.4318182 -0.0000000 0.4318182), wk = 0.0033784 k( 40) = ( 0.4431818 -0.0000000 0.4431818), wk = 0.0033784 k( 41) = ( 0.4545455 -0.0000000 0.4545455), wk = 0.0033784 k( 42) = ( 0.4659091 -0.0000000 0.4659091), wk = 0.0033784 k( 43) = ( 0.4772727 -0.0000000 0.4772727), wk = 0.0033784 k( 44) = ( 0.4886364 -0.0000000 0.4886364), wk = 0.0033784 k( 45) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033784 k( 46) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033784 k( 47) = ( 0.5000000 0.0113636 0.5113636), wk = 0.0033784 k( 48) = ( 0.5000000 0.0227273 0.5227273), wk = 0.0033784 k( 49) = ( 0.5000000 0.0340909 0.5340909), wk = 0.0033784 k( 50) = ( 0.5000000 0.0454546 0.5454545), wk = 0.0033784 k( 51) = ( 0.5000000 0.0568182 0.5568182), wk = 0.0033784 k( 52) = ( 0.5000000 0.0681818 0.5681818), wk = 0.0033784 k( 53) = ( 0.5000000 0.0795455 0.5795455), wk = 0.0033784 k( 54) = ( 0.5000000 0.0909091 0.5909091), wk = 0.0033784 k( 55) = ( 0.5000000 0.1022727 0.6022727), wk = 0.0033784 k( 56) = ( 0.5000000 0.1136364 0.6136364), wk = 0.0033784 k( 57) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0033784 k( 58) = ( 0.5000000 0.1363636 0.6363636), wk = 0.0033784 k( 59) = ( 0.5000000 0.1477273 0.6477273), wk = 0.0033784 k( 60) = ( 0.5000000 0.1590909 0.6590909), wk = 0.0033784 k( 61) = ( 0.5000000 0.1704546 0.6704546), wk = 0.0033784 k( 62) = ( 0.5000000 0.1818182 0.6818182), wk = 0.0033784 k( 63) = ( 0.5000000 0.1931818 0.6931818), wk = 0.0033784 k( 64) = ( 0.5000000 0.2045454 0.7045455), wk = 0.0033784 k( 65) = ( 0.5000000 0.2159091 0.7159091), wk = 0.0033784 k( 66) = ( 0.5000000 0.2272727 0.7272727), wk = 0.0033784 k( 67) = ( 0.5000000 0.2386364 0.7386364), wk = 0.0033784 k( 68) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0033784 k( 69) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0033784 k( 70) = ( 0.4921875 0.2578125 0.7500000), wk = 0.0033784 k( 71) = ( 0.4843750 0.2656250 0.7500000), wk = 0.0033784 k( 72) = ( 0.4765625 0.2734375 0.7500000), wk = 0.0033784 k( 73) = ( 0.4687500 0.2812500 0.7500000), wk = 0.0033784 k( 74) = ( 0.4609375 0.2890625 0.7500000), wk = 0.0033784 k( 75) = ( 0.4531250 0.2968750 0.7500000), wk = 0.0033784 k( 76) = ( 0.4453125 0.3046875 0.7500000), wk = 0.0033784 k( 77) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0033784 k( 78) = ( 0.4296875 0.3203125 0.7500000), wk = 0.0033784 k( 79) = ( 0.4218750 0.3281250 0.7500000), wk = 0.0033784 k( 80) = ( 0.4140625 0.3359375 0.7500000), wk = 0.0033784 k( 81) = ( 0.4062500 0.3437500 0.7500000), wk = 0.0033784 k( 82) = ( 0.3984375 0.3515625 0.7500000), wk = 0.0033784 k( 83) = ( 0.3906250 0.3593750 0.7500000), wk = 0.0033784 k( 84) = ( 0.3828125 0.3671875 0.7500000), wk = 0.0033784 k( 85) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0033784 k( 86) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0033784 k( 87) = ( 0.3670213 0.3670213 0.7340426), wk = 0.0033784 k( 88) = ( 0.3590426 0.3590426 0.7180851), wk = 0.0033784 k( 89) = ( 0.3510638 0.3510638 0.7021277), wk = 0.0033784 k( 90) = ( 0.3430851 0.3430851 0.6861702), wk = 0.0033784 k( 91) = ( 0.3351064 0.3351064 0.6702128), wk = 0.0033784 k( 92) = ( 0.3271277 0.3271277 0.6542553), wk = 0.0033784 k( 93) = ( 0.3191489 0.3191489 0.6382979), wk = 0.0033784 k( 94) = ( 0.3111702 0.3111702 0.6223404), wk = 0.0033784 k( 95) = ( 0.3031915 0.3031915 0.6063830), wk = 0.0033784 k( 96) = ( 0.2952128 0.2952128 0.5904255), wk = 0.0033784 k( 97) = ( 0.2872340 0.2872340 0.5744681), wk = 0.0033784 k( 98) = ( 0.2792553 0.2792553 0.5585106), wk = 0.0033784 k( 99) = ( 0.2712766 0.2712766 0.5425532), wk = 0.0033784 k( 100) = ( 0.2632979 0.2632979 0.5265957), wk = 0.0033784 k( 101) = ( 0.2553191 0.2553192 0.5106383), wk = 0.0033784 k( 102) = ( 0.2473404 0.2473404 0.4946809), wk = 0.0033784 k( 103) = ( 0.2393617 0.2393617 0.4787234), wk = 0.0033784 k( 104) = ( 0.2313830 0.2313830 0.4627660), wk = 0.0033784 k( 105) = ( 0.2234043 0.2234043 0.4468085), wk = 0.0033784 k( 106) = ( 0.2154255 0.2154255 0.4308511), wk = 0.0033784 k( 107) = ( 0.2074468 0.2074468 0.4148936), wk = 0.0033784 k( 108) = ( 0.1994681 0.1994681 0.3989362), wk = 0.0033784 k( 109) = ( 0.1914894 0.1914894 0.3829787), wk = 0.0033784 k( 110) = ( 0.1835106 0.1835106 0.3670213), wk = 0.0033784 k( 111) = ( 0.1755319 0.1755319 0.3510638), wk = 0.0033784 k( 112) = ( 0.1675532 0.1675532 0.3351064), wk = 0.0033784 k( 113) = ( 0.1595745 0.1595745 0.3191489), wk = 0.0033784 k( 114) = ( 0.1515957 0.1515957 0.3031915), wk = 0.0033784 k( 115) = ( 0.1436170 0.1436170 0.2872340), wk = 0.0033784 k( 116) = ( 0.1356383 0.1356383 0.2712766), wk = 0.0033784 k( 117) = ( 0.1276596 0.1276596 0.2553191), wk = 0.0033784 k( 118) = ( 0.1196809 0.1196809 0.2393617), wk = 0.0033784 k( 119) = ( 0.1117021 0.1117021 0.2234043), wk = 0.0033784 k( 120) = ( 0.1037234 0.1037234 0.2074468), wk = 0.0033784 k( 121) = ( 0.0957447 0.0957447 0.1914894), wk = 0.0033784 k( 122) = ( 0.0877660 0.0877660 0.1755319), wk = 0.0033784 k( 123) = ( 0.0797872 0.0797872 0.1595745), wk = 0.0033784 k( 124) = ( 0.0718085 0.0718085 0.1436170), wk = 0.0033784 k( 125) = ( 0.0638298 0.0638298 0.1276596), wk = 0.0033784 k( 126) = ( 0.0558511 0.0558511 0.1117021), wk = 0.0033784 k( 127) = ( 0.0478723 0.0478723 0.0957447), wk = 0.0033784 k( 128) = ( 0.0398936 0.0398936 0.0797872), wk = 0.0033784 k( 129) = ( 0.0319149 0.0319149 0.0638298), wk = 0.0033784 k( 130) = ( 0.0239362 0.0239362 0.0478723), wk = 0.0033784 k( 131) = ( 0.0159575 0.0159575 0.0319149), wk = 0.0033784 k( 132) = ( 0.0079787 0.0079787 0.0159575), wk = 0.0033784 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 135) = ( 0.0128205 0.0128205 0.0128205), wk = 0.0033784 k( 136) = ( 0.0256410 0.0256410 0.0256410), wk = 0.0033784 k( 137) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0033784 k( 138) = ( 0.0512821 0.0512821 0.0512821), wk = 0.0033784 k( 139) = ( 0.0641026 0.0641026 0.0641026), wk = 0.0033784 k( 140) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0033784 k( 141) = ( 0.0897436 0.0897436 0.0897436), wk = 0.0033784 k( 142) = ( 0.1025641 0.1025641 0.1025641), wk = 0.0033784 k( 143) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0033784 k( 144) = ( 0.1282051 0.1282051 0.1282051), wk = 0.0033784 k( 145) = ( 0.1410256 0.1410256 0.1410256), wk = 0.0033784 k( 146) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0033784 k( 147) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0033784 k( 148) = ( 0.1794872 0.1794872 0.1794872), wk = 0.0033784 k( 149) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0033784 k( 150) = ( 0.2051282 0.2051282 0.2051282), wk = 0.0033784 k( 151) = ( 0.2179487 0.2179487 0.2179487), wk = 0.0033784 k( 152) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0033784 k( 153) = ( 0.2435897 0.2435897 0.2435897), wk = 0.0033784 k( 154) = ( 0.2564103 0.2564103 0.2564103), wk = 0.0033784 k( 155) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0033784 k( 156) = ( 0.2820513 0.2820513 0.2820513), wk = 0.0033784 k( 157) = ( 0.2948718 0.2948718 0.2948718), wk = 0.0033784 k( 158) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0033784 k( 159) = ( 0.3205128 0.3205128 0.3205128), wk = 0.0033784 k( 160) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0033784 k( 161) = ( 0.3461538 0.3461538 0.3461539), wk = 0.0033784 k( 162) = ( 0.3589744 0.3589744 0.3589744), wk = 0.0033784 k( 163) = ( 0.3717949 0.3717949 0.3717949), wk = 0.0033784 k( 164) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0033784 k( 165) = ( 0.3974359 0.3974359 0.3974359), wk = 0.0033784 k( 166) = ( 0.4102564 0.4102564 0.4102564), wk = 0.0033784 k( 167) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0033784 k( 168) = ( 0.4358974 0.4358974 0.4358974), wk = 0.0033784 k( 169) = ( 0.4487179 0.4487180 0.4487180), wk = 0.0033784 k( 170) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0033784 k( 171) = ( 0.4743590 0.4743590 0.4743590), wk = 0.0033784 k( 172) = ( 0.4871795 0.4871795 0.4871795), wk = 0.0033784 k( 173) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033784 k( 174) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033784 k( 175) = ( 0.5046296 0.4907407 0.5046296), wk = 0.0033784 k( 176) = ( 0.5092593 0.4814815 0.5092593), wk = 0.0033784 k( 177) = ( 0.5138889 0.4722222 0.5138889), wk = 0.0033784 k( 178) = ( 0.5185185 0.4629630 0.5185185), wk = 0.0033784 k( 179) = ( 0.5231482 0.4537037 0.5231482), wk = 0.0033784 k( 180) = ( 0.5277778 0.4444444 0.5277778), wk = 0.0033784 k( 181) = ( 0.5324074 0.4351852 0.5324074), wk = 0.0033784 k( 182) = ( 0.5370370 0.4259259 0.5370370), wk = 0.0033784 k( 183) = ( 0.5416667 0.4166667 0.5416667), wk = 0.0033784 k( 184) = ( 0.5462963 0.4074074 0.5462963), wk = 0.0033784 k( 185) = ( 0.5509259 0.3981482 0.5509259), wk = 0.0033784 k( 186) = ( 0.5555556 0.3888889 0.5555556), wk = 0.0033784 k( 187) = ( 0.5601852 0.3796296 0.5601852), wk = 0.0033784 k( 188) = ( 0.5648148 0.3703704 0.5648148), wk = 0.0033784 k( 189) = ( 0.5694444 0.3611111 0.5694444), wk = 0.0033784 k( 190) = ( 0.5740741 0.3518519 0.5740741), wk = 0.0033784 k( 191) = ( 0.5787037 0.3425926 0.5787037), wk = 0.0033784 k( 192) = ( 0.5833333 0.3333333 0.5833333), wk = 0.0033784 k( 193) = ( 0.5879630 0.3240741 0.5879630), wk = 0.0033784 k( 194) = ( 0.5925926 0.3148148 0.5925926), wk = 0.0033784 k( 195) = ( 0.5972222 0.3055556 0.5972222), wk = 0.0033784 k( 196) = ( 0.6018518 0.2962963 0.6018518), wk = 0.0033784 k( 197) = ( 0.6064815 0.2870370 0.6064815), wk = 0.0033784 k( 198) = ( 0.6111111 0.2777778 0.6111111), wk = 0.0033784 k( 199) = ( 0.6157407 0.2685185 0.6157407), wk = 0.0033784 k( 200) = ( 0.6203704 0.2592593 0.6203704), wk = 0.0033784 k( 201) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0033784 k( 202) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0033784 k( 203) = ( 0.6171875 0.2500000 0.6328125), wk = 0.0033784 k( 204) = ( 0.6093750 0.2500000 0.6406250), wk = 0.0033784 k( 205) = ( 0.6015625 0.2500000 0.6484375), wk = 0.0033784 k( 206) = ( 0.5937500 0.2500000 0.6562500), wk = 0.0033784 k( 207) = ( 0.5859375 0.2500000 0.6640625), wk = 0.0033784 k( 208) = ( 0.5781250 0.2500000 0.6718750), wk = 0.0033784 k( 209) = ( 0.5703125 0.2500000 0.6796875), wk = 0.0033784 k( 210) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0033784 k( 211) = ( 0.5546875 0.2500000 0.6953125), wk = 0.0033784 k( 212) = ( 0.5468750 0.2500000 0.7031250), wk = 0.0033784 k( 213) = ( 0.5390625 0.2500000 0.7109375), wk = 0.0033784 k( 214) = ( 0.5312500 0.2500000 0.7187500), wk = 0.0033784 k( 215) = ( 0.5234375 0.2500000 0.7265625), wk = 0.0033784 k( 216) = ( 0.5156250 0.2500000 0.7343750), wk = 0.0033784 k( 217) = ( 0.5078125 0.2500000 0.7421875), wk = 0.0033784 k( 218) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0033784 k( 219) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0033784 k( 220) = ( 0.5000000 0.2578125 0.7421875), wk = 0.0033784 k( 221) = ( 0.5000000 0.2656250 0.7343750), wk = 0.0033784 k( 222) = ( 0.5000000 0.2734375 0.7265625), wk = 0.0033784 k( 223) = ( 0.5000000 0.2812500 0.7187500), wk = 0.0033784 k( 224) = ( 0.5000000 0.2890625 0.7109375), wk = 0.0033784 k( 225) = ( 0.5000000 0.2968750 0.7031250), wk = 0.0033784 k( 226) = ( 0.5000000 0.3046875 0.6953125), wk = 0.0033784 k( 227) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0033784 k( 228) = ( 0.5000000 0.3203125 0.6796875), wk = 0.0033784 k( 229) = ( 0.5000000 0.3281250 0.6718750), wk = 0.0033784 k( 230) = ( 0.5000000 0.3359375 0.6640625), wk = 0.0033784 k( 231) = ( 0.5000000 0.3437500 0.6562500), wk = 0.0033784 k( 232) = ( 0.5000000 0.3515625 0.6484375), wk = 0.0033784 k( 233) = ( 0.5000000 0.3593750 0.6406250), wk = 0.0033784 k( 234) = ( 0.5000000 0.3671875 0.6328125), wk = 0.0033784 k( 235) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0033784 k( 236) = ( 0.5000000 0.3828125 0.6171875), wk = 0.0033784 k( 237) = ( 0.5000000 0.3906250 0.6093750), wk = 0.0033784 k( 238) = ( 0.5000000 0.3984375 0.6015625), wk = 0.0033784 k( 239) = ( 0.5000000 0.4062500 0.5937500), wk = 0.0033784 k( 240) = ( 0.5000000 0.4140625 0.5859375), wk = 0.0033784 k( 241) = ( 0.5000000 0.4218750 0.5781250), wk = 0.0033784 k( 242) = ( 0.5000000 0.4296875 0.5703125), wk = 0.0033784 k( 243) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0033784 k( 244) = ( 0.5000000 0.4453125 0.5546875), wk = 0.0033784 k( 245) = ( 0.5000000 0.4531250 0.5468750), wk = 0.0033784 k( 246) = ( 0.5000000 0.4609375 0.5390625), wk = 0.0033784 k( 247) = ( 0.5000000 0.4687500 0.5312500), wk = 0.0033784 k( 248) = ( 0.5000000 0.4765625 0.5234375), wk = 0.0033784 k( 249) = ( 0.5000000 0.4843750 0.5156250), wk = 0.0033784 k( 250) = ( 0.5000000 0.4921875 0.5078125), wk = 0.0033784 k( 251) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033784 k( 252) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033784 k( 253) = ( 0.4953704 0.4953704 0.5092593), wk = 0.0033784 k( 254) = ( 0.4907407 0.4907407 0.5185185), wk = 0.0033784 k( 255) = ( 0.4861111 0.4861111 0.5277778), wk = 0.0033784 k( 256) = ( 0.4814815 0.4814815 0.5370370), wk = 0.0033784 k( 257) = ( 0.4768519 0.4768519 0.5462963), wk = 0.0033784 k( 258) = ( 0.4722222 0.4722222 0.5555556), wk = 0.0033784 k( 259) = ( 0.4675926 0.4675926 0.5648148), wk = 0.0033784 k( 260) = ( 0.4629630 0.4629630 0.5740741), wk = 0.0033784 k( 261) = ( 0.4583333 0.4583333 0.5833333), wk = 0.0033784 k( 262) = ( 0.4537037 0.4537037 0.5925926), wk = 0.0033784 k( 263) = ( 0.4490741 0.4490741 0.6018518), wk = 0.0033784 k( 264) = ( 0.4444444 0.4444444 0.6111111), wk = 0.0033784 k( 265) = ( 0.4398148 0.4398148 0.6203704), wk = 0.0033784 k( 266) = ( 0.4351852 0.4351852 0.6296296), wk = 0.0033784 k( 267) = ( 0.4305556 0.4305556 0.6388889), wk = 0.0033784 k( 268) = ( 0.4259259 0.4259259 0.6481482), wk = 0.0033784 k( 269) = ( 0.4212963 0.4212963 0.6574074), wk = 0.0033784 k( 270) = ( 0.4166667 0.4166667 0.6666667), wk = 0.0033784 k( 271) = ( 0.4120370 0.4120370 0.6759259), wk = 0.0033784 k( 272) = ( 0.4074074 0.4074074 0.6851852), wk = 0.0033784 k( 273) = ( 0.4027778 0.4027778 0.6944444), wk = 0.0033784 k( 274) = ( 0.3981481 0.3981482 0.7037037), wk = 0.0033784 k( 275) = ( 0.3935185 0.3935185 0.7129630), wk = 0.0033784 k( 276) = ( 0.3888889 0.3888889 0.7222222), wk = 0.0033784 k( 277) = ( 0.3842593 0.3842593 0.7314815), wk = 0.0033784 k( 278) = ( 0.3796296 0.3796296 0.7407407), wk = 0.0033784 k( 279) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0033784 k( 280) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0033784 k( 281) = ( 0.6171875 0.2343750 0.6171875), wk = 0.0033784 k( 282) = ( 0.6093750 0.2187500 0.6093750), wk = 0.0033784 k( 283) = ( 0.6015625 0.2031250 0.6015625), wk = 0.0033784 k( 284) = ( 0.5937500 0.1875000 0.5937500), wk = 0.0033784 k( 285) = ( 0.5859375 0.1718750 0.5859375), wk = 0.0033784 k( 286) = ( 0.5781250 0.1562500 0.5781250), wk = 0.0033784 k( 287) = ( 0.5703125 0.1406250 0.5703125), wk = 0.0033784 k( 288) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0033784 k( 289) = ( 0.5546875 0.1093750 0.5546875), wk = 0.0033784 k( 290) = ( 0.5468750 0.0937500 0.5468750), wk = 0.0033784 k( 291) = ( 0.5390625 0.0781250 0.5390625), wk = 0.0033784 k( 292) = ( 0.5312500 0.0625000 0.5312500), wk = 0.0033784 k( 293) = ( 0.5234375 0.0468750 0.5234375), wk = 0.0033784 k( 294) = ( 0.5156250 0.0312500 0.5156250), wk = 0.0033784 k( 295) = ( 0.5078125 0.0156250 0.5078125), wk = 0.0033784 k( 296) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033784 Dense grid: 60831 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 26813 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 188, 48) NL pseudopotentials 0.18 Mb ( 94, 124) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1690) G-vector shells 0.00 Mb ( 435) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.55 Mb ( 188, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.18 Mb ( 124, 2, 48) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./SrSO4.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.5 secs Computing kpt #: 2 total cpu time spent up to now is 4.4 secs Computing kpt #: 3 total cpu time spent up to now is 5.3 secs Computing kpt #: 4 total cpu time spent up to now is 6.3 secs Computing kpt #: 5 total cpu time spent up to now is 7.3 secs Computing kpt #: 6 total cpu time spent up to now is 8.3 secs Computing kpt #: 7 total cpu time spent up to now is 9.2 secs Computing kpt #: 8 total cpu time spent up to now is 10.2 secs Computing kpt #: 9 total cpu time spent up to now is 11.1 secs Computing kpt #: 10 total cpu time spent up to now is 12.1 secs Computing kpt #: 11 total cpu time spent up to now is 13.1 secs Computing kpt #: 12 total cpu time spent up to now is 14.0 secs Computing kpt #: 13 total cpu time spent up to now is 14.9 secs Computing kpt #: 14 total cpu time spent up to now is 15.8 secs Computing kpt #: 15 total cpu time spent up to now is 16.7 secs Computing kpt #: 16 total cpu time spent up to now is 17.6 secs Computing kpt #: 17 total cpu time spent up to now is 18.6 secs Computing kpt #: 18 total cpu time spent up to now is 19.5 secs Computing kpt #: 19 total cpu time spent up to now is 20.4 secs Computing kpt #: 20 total cpu time spent up to now is 21.3 secs Computing kpt #: 21 total cpu time spent up to now is 22.2 secs Computing kpt #: 22 total cpu time spent up to now is 23.0 secs Computing kpt #: 23 total cpu time spent up to now is 24.0 secs Computing kpt #: 24 total cpu time spent up to now is 24.9 secs Computing kpt #: 25 total cpu time spent up to now is 25.8 secs Computing kpt #: 26 total cpu time spent up to now is 26.7 secs Computing kpt #: 27 total cpu time spent up to now is 27.6 secs Computing kpt #: 28 total cpu time spent up to now is 28.5 secs Computing kpt #: 29 total cpu time spent up to now is 29.4 secs Computing kpt #: 30 total cpu time spent up to now is 30.6 secs Computing kpt #: 31 total cpu time spent up to now is 31.5 secs Computing kpt #: 32 total cpu time spent up to now is 32.4 secs Computing kpt #: 33 total cpu time spent up to now is 33.3 secs Computing kpt #: 34 total cpu time spent up to now is 34.1 secs Computing kpt #: 35 total cpu time spent up to now is 35.0 secs Computing kpt #: 36 total cpu time spent up to now is 35.9 secs Computing kpt #: 37 total cpu time spent up to now is 36.9 secs Computing kpt #: 38 total cpu time spent up to now is 37.8 secs Computing kpt #: 39 total cpu time spent up to now is 38.7 secs Computing kpt #: 40 total cpu time spent up to now is 39.6 secs Computing kpt #: 41 total cpu time spent up to now is 40.5 secs Computing kpt #: 42 total cpu time spent up to now is 41.4 secs Computing kpt #: 43 total cpu time spent up to now is 42.4 secs Computing kpt #: 44 total cpu time spent up to now is 43.3 secs Computing kpt #: 45 total cpu time spent up to now is 44.2 secs Computing kpt #: 46 total cpu time spent up to now is 45.2 secs Computing kpt #: 47 total cpu time spent up to now is 46.1 secs Computing kpt #: 48 total cpu time spent up to now is 47.1 secs Computing kpt #: 49 total cpu time spent up to now is 47.9 secs Computing kpt #: 50 total cpu time spent up to now is 48.9 secs Computing kpt #: 51 total cpu time spent up to now is 49.8 secs Computing kpt #: 52 total cpu time spent up to now is 50.8 secs Computing kpt #: 53 total cpu time spent up to now is 51.7 secs Computing kpt #: 54 total cpu time spent up to now is 52.6 secs Computing kpt #: 55 total cpu time spent up to now is 53.5 secs Computing kpt #: 56 total cpu time spent up to now is 54.3 secs Computing kpt #: 57 total cpu time spent up to now is 55.2 secs Computing kpt #: 58 total cpu time spent up to now is 56.1 secs Computing kpt #: 59 total cpu time spent up to now is 57.0 secs Computing kpt #: 60 total cpu time spent up to now is 57.9 secs Computing kpt #: 61 total cpu time spent up to now is 58.8 secs Computing kpt #: 62 total cpu time spent up to now is 59.7 secs Computing kpt #: 63 total cpu time spent up to now is 60.6 secs Computing kpt #: 64 total cpu time spent up to now is 61.6 secs Computing kpt #: 65 total cpu time spent up to now is 62.6 secs Computing kpt #: 66 total cpu time spent up to now is 63.6 secs Computing kpt #: 67 total cpu time spent up to now is 64.5 secs Computing kpt #: 68 total cpu time spent up to now is 65.4 secs Computing kpt #: 69 total cpu time spent up to now is 66.4 secs Computing kpt #: 70 total cpu time spent up to now is 67.5 secs Computing kpt #: 71 total cpu time spent up to now is 68.5 secs Computing kpt #: 72 total cpu time spent up to now is 69.4 secs Computing kpt #: 73 total cpu time spent up to now is 70.4 secs Computing kpt #: 74 total cpu time spent up to now is 71.4 secs Computing kpt #: 75 total cpu time spent up to now is 72.3 secs Computing kpt #: 76 total cpu time spent up to now is 73.3 secs Computing kpt #: 77 total cpu time spent up to now is 74.2 secs Computing kpt #: 78 total cpu time spent up to now is 75.2 secs Computing kpt #: 79 total cpu time spent up to now is 76.1 secs Computing kpt #: 80 total cpu time spent up to now is 77.0 secs Computing kpt #: 81 total cpu time spent up to now is 77.9 secs Computing kpt #: 82 total cpu time spent up to now is 78.9 secs Computing kpt #: 83 total cpu time spent up to now is 79.8 secs Computing kpt #: 84 total cpu time spent up to now is 80.8 secs Computing kpt #: 85 total cpu time spent up to now is 81.8 secs Computing kpt #: 86 total cpu time spent up to now is 82.7 secs Computing kpt #: 87 total cpu time spent up to now is 83.6 secs Computing kpt #: 88 total cpu time spent up to now is 84.6 secs Computing kpt #: 89 total cpu time spent up to now is 85.5 secs Computing kpt #: 90 total cpu time spent up to now is 86.5 secs Computing kpt #: 91 total cpu time spent up to now is 87.5 secs Computing kpt #: 92 total cpu time spent up to now is 88.5 secs Computing kpt #: 93 total cpu time spent up to now is 89.5 secs Computing kpt #: 94 total cpu time spent up to now is 90.7 secs Computing kpt #: 95 total cpu time spent up to now is 91.7 secs Computing kpt #: 96 total cpu time spent up to now is 92.9 secs Computing kpt #: 97 total cpu time spent up to now is 94.0 secs Computing kpt #: 98 total cpu time spent up to now is 95.1 secs Computing kpt #: 99 total cpu time spent up to now is 96.3 secs Computing kpt #: 100 total cpu time spent up to now is 97.5 secs Computing kpt #: 101 total cpu time spent up to now is 98.7 secs Computing kpt #: 102 total cpu time spent up to now is 99.8 secs Computing kpt #: 103 total cpu time spent up to now is 101.0 secs Computing kpt #: 104 total cpu time spent up to now is 102.2 secs Computing kpt #: 105 total cpu time spent up to now is 103.2 secs Computing kpt #: 106 total cpu time spent up to now is 104.2 secs Computing kpt #: 107 total cpu time spent up to now is 105.1 secs Computing kpt #: 108 total cpu time spent up to now is 106.1 secs Computing kpt #: 109 total cpu time spent up to now is 107.2 secs Computing kpt #: 110 total cpu time spent up to now is 108.2 secs Computing kpt #: 111 total cpu time spent up to now is 109.2 secs Computing kpt #: 112 total cpu time spent up to now is 110.1 secs Computing kpt #: 113 total cpu time spent up to now is 111.1 secs Computing kpt #: 114 total cpu time spent up to now is 112.1 secs Computing kpt #: 115 total cpu time spent up to now is 113.0 secs Computing kpt #: 116 total cpu time spent up to now is 114.0 secs Computing kpt #: 117 total cpu time spent up to now is 114.9 secs Computing kpt #: 118 total cpu time spent up to now is 115.8 secs Computing kpt #: 119 total cpu time spent up to now is 116.7 secs Computing kpt #: 120 total cpu time spent up to now is 117.7 secs Computing kpt #: 121 total cpu time spent up to now is 118.6 secs Computing kpt #: 122 total cpu time spent up to now is 119.7 secs Computing kpt #: 123 total cpu time spent up to now is 120.6 secs Computing kpt #: 124 total cpu time spent up to now is 121.7 secs Computing kpt #: 125 total cpu time spent up to now is 122.5 secs Computing kpt #: 126 total cpu time spent up to now is 123.5 secs Computing kpt #: 127 total cpu time spent up to now is 124.5 secs Computing kpt #: 128 total cpu time spent up to now is 125.4 secs Computing kpt #: 129 total cpu time spent up to now is 126.3 secs Computing kpt #: 130 total cpu time spent up to now is 127.3 secs Computing kpt #: 131 total cpu time spent up to now is 128.3 secs Computing kpt #: 132 total cpu time spent up to now is 129.1 secs Computing kpt #: 133 total cpu time spent up to now is 130.1 secs Computing kpt #: 134 total cpu time spent up to now is 131.1 secs Computing kpt #: 135 total cpu time spent up to now is 132.0 secs Computing kpt #: 136 total cpu time spent up to now is 133.0 secs Computing kpt #: 137 total cpu time spent up to now is 134.0 secs Computing kpt #: 138 total cpu time spent up to now is 135.0 secs Computing kpt #: 139 total cpu time spent up to now is 136.0 secs Computing kpt #: 140 total cpu time spent up to now is 137.0 secs Computing kpt #: 141 total cpu time spent up to now is 137.9 secs Computing kpt #: 142 total cpu time spent up to now is 138.9 secs Computing kpt #: 143 total cpu time spent up to now is 140.0 secs Computing kpt #: 144 total cpu time spent up to now is 141.0 secs Computing kpt #: 145 total cpu time spent up to now is 142.0 secs Computing kpt #: 146 total cpu time spent up to now is 142.9 secs Computing kpt #: 147 total cpu time spent up to now is 143.9 secs Computing kpt #: 148 total cpu time spent up to now is 144.8 secs Computing kpt #: 149 total cpu time spent up to now is 145.8 secs Computing kpt #: 150 total cpu time spent up to now is 146.8 secs Computing kpt #: 151 total cpu time spent up to now is 147.7 secs Computing kpt #: 152 total cpu time spent up to now is 148.6 secs Computing kpt #: 153 total cpu time spent up to now is 149.6 secs Computing kpt #: 154 total cpu time spent up to now is 150.6 secs Computing kpt #: 155 total cpu time spent up to now is 151.5 secs Computing kpt #: 156 total cpu time spent up to now is 152.5 secs Computing kpt #: 157 total cpu time spent up to now is 153.4 secs Computing kpt #: 158 total cpu time spent up to now is 154.3 secs Computing kpt #: 159 total cpu time spent up to now is 155.2 secs Computing kpt #: 160 total cpu time spent up to now is 156.1 secs Computing kpt #: 161 total cpu time spent up to now is 157.1 secs Computing kpt #: 162 total cpu time spent up to now is 158.0 secs Computing kpt #: 163 total cpu time spent up to now is 158.9 secs Computing kpt #: 164 total cpu time spent up to now is 159.8 secs Computing kpt #: 165 total cpu time spent up to now is 160.8 secs Computing kpt #: 166 total cpu time spent up to now is 161.7 secs Computing kpt #: 167 total cpu time spent up to now is 162.7 secs Computing kpt #: 168 total cpu time spent up to now is 163.6 secs Computing kpt #: 169 total cpu time spent up to now is 164.5 secs Computing kpt #: 170 total cpu time spent up to now is 165.4 secs Computing kpt #: 171 total cpu time spent up to now is 166.4 secs Computing kpt #: 172 total cpu time spent up to now is 167.3 secs Computing kpt #: 173 total cpu time spent up to now is 168.3 secs Computing kpt #: 174 total cpu time spent up to now is 169.2 secs Computing kpt #: 175 total cpu time spent up to now is 170.3 secs Computing kpt #: 176 total cpu time spent up to now is 171.2 secs Computing kpt #: 177 total cpu time spent up to now is 172.2 secs Computing kpt #: 178 total cpu time spent up to now is 173.1 secs Computing kpt #: 179 total cpu time spent up to now is 174.0 secs Computing kpt #: 180 total cpu time spent up to now is 175.0 secs Computing kpt #: 181 total cpu time spent up to now is 175.9 secs Computing kpt #: 182 total cpu time spent up to now is 176.9 secs Computing kpt #: 183 total cpu time spent up to now is 177.9 secs Computing kpt #: 184 total cpu time spent up to now is 178.8 secs Computing kpt #: 185 total cpu time spent up to now is 179.8 secs Computing kpt #: 186 total cpu time spent up to now is 180.8 secs Computing kpt #: 187 total cpu time spent up to now is 181.8 secs Computing kpt #: 188 total cpu time spent up to now is 182.8 secs Computing kpt #: 189 total cpu time spent up to now is 183.8 secs Computing kpt #: 190 total cpu time spent up to now is 184.7 secs Computing kpt #: 191 total cpu time spent up to now is 185.7 secs Computing kpt #: 192 total cpu time spent up to now is 186.6 secs Computing kpt #: 193 total cpu time spent up to now is 187.6 secs Computing kpt #: 194 total cpu time spent up to now is 188.6 secs Computing kpt #: 195 total cpu time spent up to now is 189.6 secs Computing kpt #: 196 total cpu time spent up to now is 190.5 secs Computing kpt #: 197 total cpu time spent up to now is 191.4 secs Computing kpt #: 198 total cpu time spent up to now is 192.3 secs Computing kpt #: 199 total cpu time spent up to now is 193.2 secs Computing kpt #: 200 total cpu time spent up to now is 194.2 secs Computing kpt #: 201 total cpu time spent up to now is 195.2 secs Computing kpt #: 202 total cpu time spent up to now is 196.1 secs Computing kpt #: 203 total cpu time spent up to now is 197.0 secs Computing kpt #: 204 total cpu time spent up to now is 198.0 secs Computing kpt #: 205 total cpu time spent up to now is 199.0 secs Computing kpt #: 206 total cpu time spent up to now is 199.9 secs Computing kpt #: 207 total cpu time spent up to now is 200.9 secs Computing kpt #: 208 total cpu time spent up to now is 201.9 secs Computing kpt #: 209 total cpu time spent up to now is 202.9 secs Computing kpt #: 210 total cpu time spent up to now is 203.8 secs Computing kpt #: 211 total cpu time spent up to now is 204.7 secs Computing kpt #: 212 total cpu time spent up to now is 205.6 secs Computing kpt #: 213 total cpu time spent up to now is 206.6 secs Computing kpt #: 214 total cpu time spent up to now is 207.5 secs Computing kpt #: 215 total cpu time spent up to now is 208.4 secs Computing kpt #: 216 total cpu time spent up to now is 209.4 secs Computing kpt #: 217 total cpu time spent up to now is 210.4 secs Computing kpt #: 218 total cpu time spent up to now is 211.5 secs Computing kpt #: 219 total cpu time spent up to now is 212.5 secs Computing kpt #: 220 total cpu time spent up to now is 213.5 secs Computing kpt #: 221 total cpu time spent up to now is 214.6 secs Computing kpt #: 222 total cpu time spent up to now is 215.6 secs Computing kpt #: 223 total cpu time spent up to now is 216.6 secs Computing kpt #: 224 total cpu time spent up to now is 217.6 secs Computing kpt #: 225 total cpu time spent up to now is 218.8 secs Computing kpt #: 226 total cpu time spent up to now is 219.9 secs Computing kpt #: 227 total cpu time spent up to now is 220.9 secs Computing kpt #: 228 total cpu time spent up to now is 221.8 secs Computing kpt #: 229 total cpu time spent up to now is 222.8 secs Computing kpt #: 230 total cpu time spent up to now is 223.8 secs Computing kpt #: 231 total cpu time spent up to now is 224.8 secs Computing kpt #: 232 total cpu time spent up to now is 225.7 secs Computing kpt #: 233 total cpu time spent up to now is 226.7 secs Computing kpt #: 234 total cpu time spent up to now is 227.7 secs Computing kpt #: 235 total cpu time spent up to now is 228.6 secs Computing kpt #: 236 total cpu time spent up to now is 229.6 secs Computing kpt #: 237 total cpu time spent up to now is 230.6 secs Computing kpt #: 238 total cpu time spent up to now is 231.6 secs Computing kpt #: 239 total cpu time spent up to now is 232.6 secs Computing kpt #: 240 total cpu time spent up to now is 233.5 secs Computing kpt #: 241 total cpu time spent up to now is 234.6 secs Computing kpt #: 242 total cpu time spent up to now is 235.6 secs Computing kpt #: 243 total cpu time spent up to now is 236.5 secs Computing kpt #: 244 total cpu time spent up to now is 237.5 secs Computing kpt #: 245 total cpu time spent up to now is 238.5 secs Computing kpt #: 246 total cpu time spent up to now is 239.5 secs Computing kpt #: 247 total cpu time spent up to now is 240.4 secs Computing kpt #: 248 total cpu time spent up to now is 241.4 secs Computing kpt #: 249 total cpu time spent up to now is 242.3 secs Computing kpt #: 250 total cpu time spent up to now is 243.3 secs Computing kpt #: 251 total cpu time spent up to now is 244.3 secs Computing kpt #: 252 total cpu time spent up to now is 245.2 secs Computing kpt #: 253 total cpu time spent up to now is 246.3 secs Computing kpt #: 254 total cpu time spent up to now is 247.3 secs Computing kpt #: 255 total cpu time spent up to now is 248.3 secs Computing kpt #: 256 total cpu time spent up to now is 249.2 secs Computing kpt #: 257 total cpu time spent up to now is 250.2 secs Computing kpt #: 258 total cpu time spent up to now is 251.1 secs Computing kpt #: 259 total cpu time spent up to now is 252.0 secs Computing kpt #: 260 total cpu time spent up to now is 253.1 secs Computing kpt #: 261 total cpu time spent up to now is 254.0 secs Computing kpt #: 262 total cpu time spent up to now is 254.9 secs Computing kpt #: 263 total cpu time spent up to now is 255.9 secs Computing kpt #: 264 total cpu time spent up to now is 256.8 secs Computing kpt #: 265 total cpu time spent up to now is 257.7 secs Computing kpt #: 266 total cpu time spent up to now is 258.7 secs Computing kpt #: 267 total cpu time spent up to now is 259.6 secs Computing kpt #: 268 total cpu time spent up to now is 260.6 secs Computing kpt #: 269 total cpu time spent up to now is 261.5 secs Computing kpt #: 270 total cpu time spent up to now is 262.5 secs Computing kpt #: 271 total cpu time spent up to now is 263.5 secs Computing kpt #: 272 total cpu time spent up to now is 264.5 secs Computing kpt #: 273 total cpu time spent up to now is 265.4 secs Computing kpt #: 274 total cpu time spent up to now is 266.4 secs Computing kpt #: 275 total cpu time spent up to now is 267.4 secs Computing kpt #: 276 total cpu time spent up to now is 268.3 secs Computing kpt #: 277 total cpu time spent up to now is 269.4 secs Computing kpt #: 278 total cpu time spent up to now is 270.3 secs Computing kpt #: 279 total cpu time spent up to now is 271.2 secs Computing kpt #: 280 total cpu time spent up to now is 272.2 secs Computing kpt #: 281 total cpu time spent up to now is 273.1 secs Computing kpt #: 282 total cpu time spent up to now is 274.0 secs Computing kpt #: 283 total cpu time spent up to now is 274.9 secs Computing kpt #: 284 total cpu time spent up to now is 275.8 secs Computing kpt #: 285 total cpu time spent up to now is 276.7 secs Computing kpt #: 286 total cpu time spent up to now is 277.6 secs Computing kpt #: 287 total cpu time spent up to now is 278.4 secs Computing kpt #: 288 total cpu time spent up to now is 279.2 secs Computing kpt #: 289 total cpu time spent up to now is 280.2 secs Computing kpt #: 290 total cpu time spent up to now is 281.1 secs Computing kpt #: 291 total cpu time spent up to now is 282.1 secs Computing kpt #: 292 total cpu time spent up to now is 283.0 secs Computing kpt #: 293 total cpu time spent up to now is 284.0 secs Computing kpt #: 294 total cpu time spent up to now is 284.9 secs Computing kpt #: 295 total cpu time spent up to now is 285.8 secs Computing kpt #: 296 total cpu time spent up to now is 286.8 secs ethr = 2.50E-08, avg # of iterations = 45.4 total cpu time spent up to now is 286.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3383 PWs) bands (ev): -29.0045 -29.0045 -17.4190 -17.4190 -13.3632 -13.3632 -13.3440 -13.3440 -13.3440 -13.3440 -11.7093 -11.7093 -10.5561 -10.5561 -10.5561 -10.5561 -4.9561 -4.9561 -1.0607 -1.0607 -1.0313 -1.0313 -1.0313 -1.0313 1.6229 1.6229 1.6229 1.6229 3.2998 3.2998 3.3404 3.3404 3.3405 3.3405 4.8124 4.8124 4.8316 4.8316 4.8316 4.8316 8.6987 8.6987 11.2579 11.2579 11.3318 11.3318 11.3318 11.3318 k = 0.0114-0.0066 0.0093 ( 3383 PWs) bands (ev): -29.0045 -29.0045 -17.4188 -17.4188 -13.3634 -13.3634 -13.3443 -13.3443 -13.3441 -13.3441 -11.7094 -11.7094 -10.5562 -10.5562 -10.5561 -10.5561 -4.9545 -4.9545 -1.0603 -1.0603 -1.0315 -1.0315 -1.0304 -1.0304 1.6233 1.6233 1.6236 1.6236 3.2984 3.2984 3.3384 3.3384 3.3397 3.3397 4.8113 4.8113 4.8304 4.8304 4.8305 4.8305 8.7018 8.7018 11.2552 11.2552 11.3324 11.3324 11.3352 11.3352 k = 0.0227-0.0131 0.0186 ( 3383 PWs) bands (ev): -29.0045 -29.0045 -17.4184 -17.4184 -13.3640 -13.3640 -13.3452 -13.3452 -13.3443 -13.3443 -11.7094 -11.7094 -10.5564 -10.5564 -10.5560 -10.5560 -4.9498 -4.9498 -1.0596 -1.0596 -1.0317 -1.0317 -1.0279 -1.0279 1.6244 1.6244 1.6256 1.6256 3.2939 3.2939 3.3325 3.3325 3.3374 3.3374 4.8080 4.8080 4.8270 4.8270 4.8273 4.8273 8.7110 8.7110 11.2486 11.2486 11.3340 11.3340 11.3414 11.3414 k = 0.0341-0.0197 0.0278 ( 3375 PWs) bands (ev): -29.0045 -29.0045 -17.4178 -17.4178 -13.3650 -13.3650 -13.3467 -13.3467 -13.3447 -13.3447 -11.7095 -11.7095 -10.5568 -10.5568 -10.5558 -10.5558 -4.9420 -4.9420 -1.0592 -1.0592 -1.0313 -1.0313 -1.0236 -1.0236 1.6262 1.6262 1.6290 1.6290 3.2854 3.2854 3.3237 3.3237 3.3337 3.3337 4.8025 4.8025 4.8214 4.8214 4.8220 4.8220 8.7264 8.7264 11.2406 11.2406 11.3368 11.3368 11.3464 11.3464 k = 0.0455-0.0262 0.0371 ( 3379 PWs) bands (ev): -29.0044 -29.0044 -17.4168 -17.4168 -13.3665 -13.3665 -13.3487 -13.3487 -13.3452 -13.3452 -11.7095 -11.7095 -10.5572 -10.5572 -10.5556 -10.5556 -4.9312 -4.9312 -1.0603 -1.0603 -1.0290 -1.0290 -1.0176 -1.0176 1.6288 1.6288 1.6337 1.6337 3.2717 3.2717 3.3134 3.3134 3.3284 3.3284 4.7949 4.7949 4.8137 4.8137 4.8146 4.8146 8.7477 8.7477 11.2325 11.2325 11.3407 11.3407 11.3515 11.3515 k = 0.0568-0.0328 0.0464 ( 3371 PWs) bands (ev): -29.0044 -29.0044 -17.4156 -17.4156 -13.3687 -13.3687 -13.3510 -13.3510 -13.3458 -13.3458 -11.7096 -11.7096 -10.5578 -10.5578 -10.5552 -10.5552 -4.9173 -4.9173 -1.0639 -1.0639 -1.0239 -1.0239 -1.0100 -1.0100 1.6319 1.6319 1.6398 1.6398 3.2518 3.2518 3.3028 3.3028 3.3216 3.3216 4.7853 4.7853 4.8039 4.8039 4.8052 4.8052 8.7748 8.7748 11.2252 11.2252 11.3456 11.3457 11.3573 11.3574 k = 0.0682-0.0394 0.0557 ( 3387 PWs) bands (ev): -29.0044 -29.0044 -17.4142 -17.4142 -13.3718 -13.3718 -13.3535 -13.3534 -13.3466 -13.3466 -11.7097 -11.7097 -10.5584 -10.5584 -10.5549 -10.5549 -4.9004 -4.9004 -1.0698 -1.0698 -1.0162 -1.0162 -1.0007 -1.0007 1.6357 1.6357 1.6472 1.6472 3.2258 3.2258 3.2918 3.2918 3.3131 3.3131 4.7738 4.7738 4.7922 4.7922 4.7938 4.7938 8.8075 8.8075 11.2188 11.2188 11.3516 11.3516 11.3641 11.3642 k = 0.0795-0.0459 0.0649 ( 3387 PWs) bands (ev): -29.0043 -29.0043 -17.4125 -17.4125 -13.3759 -13.3759 -13.3559 -13.3559 -13.3475 -13.3475 -11.7097 -11.7097 -10.5590 -10.5590 -10.5544 -10.5544 -4.8806 -4.8806 -1.0776 -1.0776 -1.0062 -1.0062 -0.9897 -0.9897 1.6399 1.6399 1.6560 1.6560 3.1944 3.1944 3.2802 3.2802 3.3031 3.3031 4.7605 4.7605 4.7787 4.7788 4.7805 4.7806 8.8455 8.8455 11.2135 11.2135 11.3586 11.3586 11.3719 11.3720 k = 0.0909-0.0525 0.0742 ( 3383 PWs) bands (ev): -29.0043 -29.0043 -17.4105 -17.4105 -13.3812 -13.3812 -13.3582 -13.3582 -13.3485 -13.3485 -11.7096 -11.7096 -10.5597 -10.5597 -10.5539 -10.5539 -4.8580 -4.8580 -1.0871 -1.0871 -0.9942 -0.9942 -0.9772 -0.9772 1.6446 1.6446 1.6660 1.6660 3.1581 3.1581 3.2676 3.2676 3.2915 3.2915 4.7455 4.7455 4.7638 4.7638 4.7655 4.7655 8.8886 8.8886 11.2091 11.2091 11.3666 11.3666 11.3807 11.3807 k = 0.1023-0.0590 0.0835 ( 3379 PWs) bands (ev): -29.0042 -29.0042 -17.4082 -17.4082 -13.3876 -13.3876 -13.3604 -13.3604 -13.3497 -13.3497 -11.7095 -11.7095 -10.5603 -10.5603 -10.5533 -10.5533 -4.8325 -4.8325 -1.0980 -1.0980 -0.9804 -0.9804 -0.9631 -0.9631 1.6496 1.6496 1.6773 1.6773 3.1175 3.1175 3.2536 3.2536 3.2782 3.2782 4.7290 4.7290 4.7474 4.7474 4.7486 4.7487 8.9364 8.9364 11.2056 11.2056 11.3755 11.3755 11.3904 11.3904 k = 0.1136-0.0656 0.0928 ( 3371 PWs) bands (ev): -29.0041 -29.0041 -17.4057 -17.4057 -13.3951 -13.3951 -13.3625 -13.3625 -13.3510 -13.3510 -11.7093 -11.7093 -10.5609 -10.5609 -10.5527 -10.5527 -4.8044 -4.8044 -1.1104 -1.1104 -0.9650 -0.9650 -0.9475 -0.9475 1.6549 1.6549 1.6899 1.6899 3.0731 3.0731 3.2381 3.2381 3.2633 3.2633 4.7112 4.7112 4.7297 4.7297 4.7303 4.7303 8.9885 8.9885 11.2031 11.2031 11.3852 11.3852 11.4010 11.4010 k = 0.1250-0.0722 0.1021 ( 3371 PWs) bands (ev): -29.0040 -29.0040 -17.4030 -17.4030 -13.4036 -13.4036 -13.3645 -13.3645 -13.3523 -13.3523 -11.7090 -11.7090 -10.5614 -10.5614 -10.5520 -10.5520 -4.7737 -4.7737 -1.1240 -1.1240 -0.9480 -0.9480 -0.9305 -0.9305 1.6603 1.6603 1.7038 1.7038 3.0253 3.0253 3.2212 3.2212 3.2467 3.2467 4.6921 4.6921 4.7101 4.7101 4.7115 4.7115 9.0446 9.0446 11.2013 11.2013 11.3959 11.3959 11.4123 11.4123 k = 0.1364-0.0787 0.1113 ( 3371 PWs) bands (ev): -29.0040 -29.0040 -17.4000 -17.4000 -13.4132 -13.4132 -13.3666 -13.3666 -13.3538 -13.3538 -11.7085 -11.7085 -10.5617 -10.5617 -10.5512 -10.5512 -4.7405 -4.7405 -1.1388 -1.1388 -0.9295 -0.9295 -0.9120 -0.9120 1.6657 1.6657 1.7188 1.7188 2.9746 2.9746 3.2025 3.2025 3.2283 3.2283 4.6717 4.6717 4.6891 4.6891 4.6922 4.6922 9.1043 9.1043 11.2003 11.2003 11.4073 11.4073 11.4245 11.4245 k = 0.1477-0.0853 0.1206 ( 3371 PWs) bands (ev): -29.0039 -29.0039 -17.3968 -17.3968 -13.4237 -13.4237 -13.3686 -13.3686 -13.3554 -13.3554 -11.7079 -11.7079 -10.5619 -10.5619 -10.5504 -10.5504 -4.7049 -4.7049 -1.1548 -1.1548 -0.9096 -0.9096 -0.8922 -0.8922 1.6711 1.6711 1.7351 1.7351 2.9213 2.9213 3.1823 3.1823 3.2082 3.2082 4.6500 4.6500 4.6672 4.6672 4.6724 4.6724 9.1671 9.1671 11.2001 11.2001 11.4195 11.4195 11.4374 11.4374 k = 0.1591-0.0919 0.1299 ( 3363 PWs) bands (ev): -29.0038 -29.0038 -17.3934 -17.3934 -13.4351 -13.4351 -13.3707 -13.3707 -13.3570 -13.3570 -11.7071 -11.7071 -10.5618 -10.5618 -10.5495 -10.5495 -4.6670 -4.6670 -1.1719 -1.1719 -0.8884 -0.8884 -0.8710 -0.8710 1.6763 1.6763 1.7525 1.7525 2.8658 2.8658 3.1604 3.1604 3.1864 3.1864 4.6266 4.6266 4.6452 4.6452 4.6523 4.6523 9.2325 9.2325 11.2009 11.2009 11.4325 11.4325 11.4510 11.4510 k = 0.1705-0.0984 0.1392 ( 3359 PWs) bands (ev): -29.0037 -29.0037 -17.3898 -17.3898 -13.4473 -13.4473 -13.3729 -13.3729 -13.3587 -13.3587 -11.7061 -11.7061 -10.5615 -10.5615 -10.5486 -10.5486 -4.6270 -4.6270 -1.1902 -1.1902 -0.8660 -0.8660 -0.8487 -0.8487 1.6812 1.6812 1.7711 1.7711 2.8085 2.8085 3.1368 3.1368 3.1630 3.1630 4.6013 4.6013 4.6234 4.6234 4.6321 4.6321 9.3000 9.3000 11.2026 11.2026 11.4461 11.4461 11.4653 11.4653 k = 0.1818-0.1050 0.1485 ( 3343 PWs) bands (ev): -29.0036 -29.0036 -17.3859 -17.3859 -13.4604 -13.4604 -13.3751 -13.3751 -13.3605 -13.3605 -11.7049 -11.7049 -10.5610 -10.5610 -10.5477 -10.5477 -4.5849 -4.5849 -1.2096 -1.2096 -0.8423 -0.8423 -0.8252 -0.8252 1.6858 1.6858 1.7908 1.7908 2.7499 2.7499 3.1117 3.1117 3.1379 3.1379 4.5741 4.5741 4.6023 4.6023 4.6120 4.6120 9.3691 9.3691 11.2055 11.2055 11.4605 11.4605 11.4803 11.4803 k = 0.1932-0.1115 0.1577 ( 3351 PWs) bands (ev): -29.0035 -29.0035 -17.3819 -17.3819 -13.4743 -13.4743 -13.3773 -13.3773 -13.3623 -13.3623 -11.7035 -11.7035 -10.5602 -10.5602 -10.5467 -10.5467 -4.5409 -4.5409 -1.2300 -1.2300 -0.8176 -0.8176 -0.8006 -0.8006 1.6898 1.6898 1.8115 1.8115 2.6902 2.6902 3.0849 3.0849 3.1111 3.1111 4.5451 4.5451 4.5817 4.5817 4.5920 4.5920 9.4391 9.4391 11.2098 11.2098 11.4756 11.4756 11.4959 11.4959 k = 0.2045-0.1181 0.1670 ( 3351 PWs) bands (ev): -29.0034 -29.0034 -17.3776 -17.3776 -13.4888 -13.4888 -13.3796 -13.3796 -13.3642 -13.3642 -11.7019 -11.7019 -10.5592 -10.5592 -10.5457 -10.5457 -4.4951 -4.4951 -1.2516 -1.2516 -0.7920 -0.7920 -0.7750 -0.7750 1.6933 1.6933 1.8332 1.8332 2.6299 2.6299 3.0566 3.0566 3.0829 3.0829 4.5147 4.5147 4.5619 4.5619 4.5725 4.5725 9.5095 9.5095 11.2159 11.2159 11.4913 11.4913 11.5121 11.5121 k = 0.2159-0.1247 0.1763 ( 3359 PWs) bands (ev): -29.0033 -29.0033 -17.3733 -17.3733 -13.5040 -13.5040 -13.3819 -13.3819 -13.3661 -13.3661 -11.7000 -11.7000 -10.5578 -10.5578 -10.5446 -10.5446 -4.4476 -4.4476 -1.2742 -1.2742 -0.7654 -0.7654 -0.7486 -0.7486 1.6962 1.6962 1.8559 1.8559 2.5693 2.5693 3.0269 3.0269 3.0532 3.0532 4.4830 4.4830 4.5427 4.5427 4.5535 4.5535 9.5796 9.5796 11.2239 11.2239 11.5076 11.5076 11.5290 11.5290 k = 0.2273-0.1312 0.1856 ( 3363 PWs) bands (ev): -29.0032 -29.0032 -17.3687 -17.3687 -13.5197 -13.5197 -13.3843 -13.3843 -13.3681 -13.3681 -11.6980 -11.6980 -10.5562 -10.5562 -10.5435 -10.5435 -4.3986 -4.3986 -1.2980 -1.2980 -0.7380 -0.7380 -0.7213 -0.7213 1.6984 1.6984 1.8795 1.8795 2.5088 2.5088 2.9958 2.9958 3.0221 3.0221 4.4501 4.4501 4.5243 4.5243 4.5351 4.5351 9.6488 9.6488 11.2341 11.2341 11.5245 11.5245 11.5463 11.5463 k = 0.2386-0.1378 0.1948 ( 3359 PWs) bands (ev): -29.0031 -29.0031 -17.3641 -17.3641 -13.5360 -13.5360 -13.3866 -13.3866 -13.3700 -13.3700 -11.6958 -11.6958 -10.5543 -10.5543 -10.5424 -10.5424 -4.3482 -4.3482 -1.3228 -1.3228 -0.7100 -0.7100 -0.6934 -0.6934 1.6998 1.6998 1.9039 1.9039 2.4488 2.4488 2.9636 2.9636 2.9899 2.9899 4.4163 4.4163 4.5067 4.5067 4.5174 4.5174 9.7165 9.7165 11.2467 11.2467 11.5420 11.5420 11.5643 11.5643 k = 0.2500-0.1443 0.2041 ( 3359 PWs) bands (ev): -29.0030 -29.0030 -17.3593 -17.3593 -13.5526 -13.5526 -13.3890 -13.3890 -13.3720 -13.3720 -11.6934 -11.6934 -10.5521 -10.5521 -10.5413 -10.5413 -4.2966 -4.2966 -1.3487 -1.3487 -0.6814 -0.6814 -0.6649 -0.6649 1.7003 1.7003 1.9291 1.9291 2.3895 2.3895 2.9304 2.9304 2.9567 2.9567 4.3816 4.3816 4.4899 4.4899 4.5006 4.5006 9.7820 9.7820 11.2616 11.2616 11.5600 11.5600 11.5827 11.5827 k = 0.2614-0.1509 0.2134 ( 3359 PWs) bands (ev): -29.0029 -29.0029 -17.3545 -17.3545 -13.5696 -13.5696 -13.3913 -13.3913 -13.3739 -13.3739 -11.6908 -11.6908 -10.5497 -10.5497 -10.5402 -10.5402 -4.2439 -4.2439 -1.3757 -1.3757 -0.6523 -0.6523 -0.6359 -0.6359 1.7000 1.7000 1.9550 1.9550 2.3314 2.3314 2.8962 2.8962 2.9225 2.9225 4.3462 4.3462 4.4741 4.4741 4.4845 4.4845 9.8449 9.8449 11.2787 11.2787 11.5785 11.5785 11.6017 11.6017 k = 0.2727-0.1575 0.2227 ( 3355 PWs) bands (ev): -29.0028 -29.0028 -17.3495 -17.3495 -13.5867 -13.5867 -13.3937 -13.3937 -13.3759 -13.3759 -11.6881 -11.6881 -10.5470 -10.5470 -10.5391 -10.5391 -4.1903 -4.1903 -1.4037 -1.4037 -0.6230 -0.6230 -0.6065 -0.6065 1.6988 1.6988 1.9815 1.9815 2.2747 2.2747 2.8613 2.8613 2.8877 2.8877 4.3102 4.3102 4.4592 4.4592 4.4694 4.4694 9.9048 9.9048 11.2974 11.2974 11.5975 11.5975 11.6210 11.6210 k = 0.2841-0.1640 0.2320 ( 3363 PWs) bands (ev): -29.0027 -29.0027 -17.3446 -17.3446 -13.6040 -13.6040 -13.3960 -13.3960 -13.3778 -13.3778 -11.6853 -11.6853 -10.5441 -10.5441 -10.5380 -10.5380 -4.1358 -4.1358 -1.4329 -1.4329 -0.5935 -0.5935 -0.5770 -0.5770 1.6967 1.6967 2.0085 2.0085 2.2198 2.2198 2.8259 2.8259 2.8524 2.8524 4.2739 4.2739 4.4452 4.4452 4.4552 4.4552 9.9615 9.9615 11.3166 11.3166 11.6169 11.6169 11.6407 11.6407 k = 0.2955-0.1706 0.2412 ( 3363 PWs) bands (ev): -29.0026 -29.0026 -17.3397 -17.3397 -13.6213 -13.6213 -13.3983 -13.3983 -13.3797 -13.3797 -11.6824 -11.6824 -10.5410 -10.5410 -10.5369 -10.5369 -4.0808 -4.0808 -1.4630 -1.4630 -0.5639 -0.5639 -0.5474 -0.5474 1.6935 1.6935 2.0360 2.0360 2.1669 2.1669 2.7902 2.7902 2.8168 2.8168 4.2372 4.2372 4.4321 4.4321 4.4419 4.4419 10.0148 10.0148 11.3353 11.3353 11.6367 11.6367 11.6608 11.6608 k = 0.3068-0.1771 0.2505 ( 3367 PWs) bands (ev): -29.0025 -29.0025 -17.3347 -17.3347 -13.6385 -13.6385 -13.4005 -13.4005 -13.3815 -13.3815 -11.6795 -11.6795 -10.5378 -10.5378 -10.5358 -10.5358 -4.0254 -4.0254 -1.4942 -1.4942 -0.5344 -0.5344 -0.5179 -0.5179 1.6895 1.6895 2.0637 2.0637 2.1164 2.1164 2.7545 2.7545 2.7811 2.7811 4.2005 4.2005 4.4200 4.4200 4.4295 4.4295 10.0649 10.0649 11.3515 11.3515 11.6567 11.6567 11.6810 11.6810 k = 0.3182-0.1837 0.2598 ( 3355 PWs) bands (ev): -29.0024 -29.0024 -17.3298 -17.3298 -13.6554 -13.6554 -13.4027 -13.4027 -13.3833 -13.3833 -11.6765 -11.6765 -10.5347 -10.5347 -10.5344 -10.5344 -3.9699 -3.9699 -1.5262 -1.5262 -0.5053 -0.5053 -0.4886 -0.4886 1.6844 1.6844 2.0685 2.0685 2.0917 2.0917 2.7188 2.7188 2.7456 2.7456 4.1638 4.1638 4.4088 4.4088 4.4181 4.4181 10.1120 10.1120 11.3637 11.3637 11.6770 11.6770 11.7014 11.7014 k = 0.3295-0.1903 0.2691 ( 3347 PWs) bands (ev): -29.0023 -29.0023 -17.3250 -17.3250 -13.6720 -13.6720 -13.4048 -13.4048 -13.3851 -13.3851 -11.6735 -11.6735 -10.5337 -10.5337 -10.5310 -10.5310 -3.9143 -3.9143 -1.5591 -1.5591 -0.4765 -0.4765 -0.4597 -0.4597 1.6783 1.6783 2.0235 2.0235 2.1196 2.1196 2.6836 2.6836 2.7105 2.7105 4.1274 4.1274 4.3984 4.3984 4.4075 4.4075 10.1563 10.1563 11.3699 11.3699 11.6974 11.6974 11.7218 11.7218 k = 0.3409-0.1968 0.2784 ( 3347 PWs) bands (ev): -29.0022 -29.0022 -17.3203 -17.3203 -13.6882 -13.6882 -13.4068 -13.4068 -13.3867 -13.3867 -11.6705 -11.6705 -10.5327 -10.5327 -10.5275 -10.5275 -3.8591 -3.8591 -1.5927 -1.5927 -0.4484 -0.4484 -0.4314 -0.4314 1.6713 1.6713 1.9816 1.9816 2.1475 2.1475 2.6490 2.6490 2.6760 2.6760 4.0914 4.0914 4.3890 4.3890 4.3978 4.3978 10.1984 10.1984 11.3690 11.3690 11.7178 11.7178 11.7420 11.7420 k = 0.3523-0.2034 0.2876 ( 3363 PWs) bands (ev): -29.0021 -29.0021 -17.3158 -17.3158 -13.7039 -13.7039 -13.4088 -13.4088 -13.3883 -13.3883 -11.6676 -11.6676 -10.5317 -10.5317 -10.5241 -10.5241 -3.8044 -3.8044 -1.6269 -1.6269 -0.4210 -0.4210 -0.4038 -0.4038 1.6634 1.6634 1.9429 1.9429 2.1751 2.1751 2.6152 2.6152 2.6425 2.6425 4.0561 4.0561 4.3803 4.3803 4.3889 4.3889 10.2387 10.2387 11.3601 11.3601 11.7379 11.7379 11.7621 11.7621 k = 0.3636-0.2099 0.2969 ( 3363 PWs) bands (ev): -29.0020 -29.0020 -17.3114 -17.3114 -13.7188 -13.7188 -13.4106 -13.4106 -13.3899 -13.3899 -11.6648 -11.6648 -10.5308 -10.5308 -10.5206 -10.5206 -3.7506 -3.7506 -1.6613 -1.6613 -0.3947 -0.3947 -0.3772 -0.3772 1.6546 1.6546 1.9078 1.9078 2.2022 2.2022 2.5826 2.5826 2.6101 2.6101 4.0217 4.0217 4.3725 4.3725 4.3809 4.3809 10.2777 10.2777 11.3435 11.3435 11.7577 11.7577 11.7817 11.7817 k = 0.3750-0.2165 0.3062 ( 3370 PWs) bands (ev): -29.0020 -29.0020 -17.3073 -17.3073 -13.7330 -13.7330 -13.4123 -13.4123 -13.3913 -13.3913 -11.6621 -11.6621 -10.5299 -10.5299 -10.5173 -10.5173 -3.6980 -3.6980 -1.6959 -1.6959 -0.3694 -0.3694 -0.3517 -0.3517 1.6449 1.6449 1.8763 1.8763 2.2286 2.2286 2.5513 2.5513 2.5791 2.5791 3.9884 3.9884 4.3654 4.3654 4.3736 4.3736 10.3158 10.3158 11.3198 11.3198 11.7769 11.7769 11.8009 11.8009 k = 0.3864-0.2231 0.3155 ( 3362 PWs) bands (ev): -29.0019 -29.0019 -17.3034 -17.3034 -13.7464 -13.7464 -13.4139 -13.4139 -13.3926 -13.3926 -11.6595 -11.6595 -10.5291 -10.5291 -10.5141 -10.5141 -3.6470 -3.6470 -1.7302 -1.7302 -0.3456 -0.3456 -0.3275 -0.3275 1.6346 1.6346 1.8484 1.8484 2.2540 2.2540 2.5218 2.5218 2.5498 2.5498 3.9566 3.9566 4.3591 4.3591 4.3671 4.3671 10.3533 10.3533 11.2899 11.2899 11.7953 11.7953 11.8193 11.8193 k = 0.3977-0.2296 0.3247 ( 3362 PWs) bands (ev): -29.0018 -29.0018 -17.2997 -17.2997 -13.7588 -13.7588 -13.4154 -13.4154 -13.3938 -13.3938 -11.6571 -11.6571 -10.5283 -10.5283 -10.5111 -10.5111 -3.5981 -3.5981 -1.7638 -1.7638 -0.3232 -0.3232 -0.3049 -0.3049 1.6239 1.6239 1.8241 1.8241 2.2783 2.2783 2.4940 2.4940 2.5223 2.5223 3.9264 3.9264 4.3535 4.3535 4.3613 4.3613 10.3906 10.3906 11.2552 11.2552 11.8128 11.8128 11.8369 11.8369 k = 0.4091-0.2362 0.3340 ( 3362 PWs) bands (ev): -29.0018 -29.0018 -17.2963 -17.2963 -13.7701 -13.7701 -13.4167 -13.4167 -13.3949 -13.3949 -11.6549 -11.6549 -10.5277 -10.5277 -10.5082 -10.5082 -3.5518 -3.5518 -1.7964 -1.7964 -0.3026 -0.3026 -0.2840 -0.2840 1.6130 1.6130 1.8032 1.8032 2.3012 2.3012 2.4685 2.4685 2.4970 2.4970 3.8982 3.8982 4.3486 4.3486 4.3562 4.3562 10.4279 10.4279 11.2168 11.2168 11.8293 11.8293 11.8534 11.8534 k = 0.4205-0.2427 0.3433 ( 3342 PWs) bands (ev): -29.0017 -29.0017 -17.2933 -17.2933 -13.7803 -13.7803 -13.4179 -13.4179 -13.3959 -13.3959 -11.6529 -11.6529 -10.5270 -10.5270 -10.5056 -10.5056 -3.5087 -3.5087 -1.8274 -1.8274 -0.2839 -0.2839 -0.2650 -0.2650 1.6024 1.6024 1.7856 1.7856 2.3224 2.3224 2.4453 2.4453 2.4740 2.4740 3.8723 3.8723 4.3443 4.3443 4.3517 4.3517 10.4652 10.4652 11.1759 11.1759 11.8443 11.8443 11.8686 11.8686 k = 0.4318-0.2493 0.3526 ( 3334 PWs) bands (ev): -29.0017 -29.0017 -17.2906 -17.2906 -13.7893 -13.7893 -13.4189 -13.4189 -13.3968 -13.3968 -11.6511 -11.6511 -10.5265 -10.5265 -10.5033 -10.5033 -3.4692 -3.4692 -1.8562 -1.8562 -0.2672 -0.2672 -0.2481 -0.2481 1.5922 1.5922 1.7710 1.7710 2.3415 2.3415 2.4247 2.4247 2.4537 2.4537 3.8489 3.8489 4.3406 4.3406 4.3479 4.3479 10.5025 10.5025 11.1337 11.1337 11.8579 11.8579 11.8823 11.8823 k = 0.4432-0.2559 0.3619 ( 3338 PWs) bands (ev): -29.0016 -29.0016 -17.2883 -17.2883 -13.7970 -13.7970 -13.4198 -13.4198 -13.3975 -13.3975 -11.6496 -11.6496 -10.5260 -10.5260 -10.5013 -10.5013 -3.4342 -3.4342 -1.8822 -1.8822 -0.2529 -0.2529 -0.2334 -0.2334 1.5830 1.5830 1.7591 1.7591 2.3582 2.3582 2.4069 2.4069 2.4360 2.4360 3.8285 3.8285 4.3376 4.3376 4.3448 4.3448 10.5394 10.5394 11.0913 11.0913 11.8698 11.8698 11.8943 11.8943 k = 0.4545-0.2624 0.3711 ( 3338 PWs) bands (ev): -29.0016 -29.0016 -17.2864 -17.2864 -13.8034 -13.8034 -13.4206 -13.4206 -13.3981 -13.3981 -11.6483 -11.6483 -10.5256 -10.5256 -10.4996 -10.4996 -3.4043 -3.4043 -1.9047 -1.9047 -0.2409 -0.2409 -0.2212 -0.2212 1.5751 1.5751 1.7497 1.7497 2.3722 2.3722 2.3923 2.3923 2.4214 2.4214 3.8113 3.8113 4.3351 4.3351 4.3422 4.3422 10.5752 10.5752 11.0501 11.0501 11.8798 11.8798 11.9044 11.9044 k = 0.4659-0.2690 0.3804 ( 3330 PWs) bands (ev): -29.0016 -29.0016 -17.2849 -17.2849 -13.8085 -13.8085 -13.4212 -13.4212 -13.3986 -13.3986 -11.6473 -11.6473 -10.5253 -10.5253 -10.4983 -10.4983 -3.3802 -3.3802 -1.9230 -1.9230 -0.2314 -0.2314 -0.2116 -0.2116 1.5686 1.5686 1.7426 1.7426 2.3784 2.3784 2.3857 2.3857 2.4098 2.4098 3.7976 3.7976 4.3332 4.3332 4.3402 4.3402 10.6088 10.6088 11.0119 11.0119 11.8878 11.8878 11.9125 11.9125 k = 0.4773-0.2756 0.3897 ( 3338 PWs) bands (ev): -29.0016 -29.0016 -17.2838 -17.2838 -13.8121 -13.8121 -13.4216 -13.4216 -13.3989 -13.3989 -11.6466 -11.6466 -10.5251 -10.5251 -10.4973 -10.4973 -3.3624 -3.3624 -1.9367 -1.9367 -0.2246 -0.2246 -0.2046 -0.2046 1.5639 1.5639 1.7376 1.7376 2.3712 2.3712 2.3929 2.3929 2.4014 2.4014 3.7877 3.7877 4.3318 4.3318 4.3388 4.3388 10.6377 10.6377 10.9794 10.9794 11.8935 11.8935 11.9183 11.9183 k = 0.4886-0.2821 0.3990 ( 3330 PWs) bands (ev): -29.0015 -29.0015 -17.2831 -17.2831 -13.8143 -13.8143 -13.4218 -13.4218 -13.3991 -13.3991 -11.6462 -11.6462 -10.5250 -10.5250 -10.4967 -10.4967 -3.3516 -3.3516 -1.9451 -1.9451 -0.2204 -0.2204 -0.2004 -0.2004 1.5610 1.5610 1.7347 1.7347 2.3662 2.3662 2.3964 2.3964 2.3978 2.3978 3.7816 3.7816 4.3310 4.3310 4.3379 4.3379 10.6582 10.6582 10.9566 10.9566 11.8971 11.8971 11.9219 11.9219 k = 0.5000-0.2887 0.4082 ( 3338 PWs) bands (ev): -29.0015 -29.0015 -17.2829 -17.2829 -13.8150 -13.8150 -13.4219 -13.4219 -13.3992 -13.3992 -11.6460 -11.6460 -10.5250 -10.5250 -10.4965 -10.4965 -3.3479 -3.3479 -1.9479 -1.9479 -0.2190 -0.2190 -0.1990 -0.1990 1.5600 1.5600 1.7337 1.7337 2.3645 2.3645 2.3947 2.3947 2.3995 2.3995 3.7796 3.7796 4.3307 4.3307 4.3377 4.3377 10.6658 10.6658 10.9482 10.9482 11.8982 11.8982 11.9231 11.9231 k = 0.5000-0.2887 0.4082 ( 3338 PWs) bands (ev): -29.0015 -29.0015 -17.2829 -17.2829 -13.8150 -13.8150 -13.4219 -13.4219 -13.3992 -13.3992 -11.6460 -11.6460 -10.5250 -10.5250 -10.4965 -10.4965 -3.3479 -3.3479 -1.9479 -1.9479 -0.2190 -0.2190 -0.1990 -0.1990 1.5600 1.5600 1.7337 1.7337 2.3645 2.3645 2.3947 2.3947 2.3995 2.3995 3.7796 3.7796 4.3307 4.3307 4.3377 4.3377 10.6658 10.6658 10.9482 10.9482 11.8982 11.8982 11.9231 11.9231 k = 0.5000-0.2756 0.4175 ( 3326 PWs) bands (ev): -29.0015 -29.0015 -17.2829 -17.2829 -13.8154 -13.8146 -13.4220 -13.4216 -13.3991 -13.3991 -11.6476 -11.6447 -10.5251 -10.5251 -10.4979 -10.4951 -3.3478 -3.3477 -1.9480 -1.9470 -0.2201 -0.2192 -0.1998 -0.1995 1.5587 1.5589 1.7352 1.7354 2.3570 2.3616 2.3850 2.3868 2.4144 2.4166 3.7796 3.7797 4.3293 4.3299 4.3364 4.3367 10.6641 10.6648 10.9486 10.9501 11.8968 11.8979 11.9197 11.9251 k = 0.5000-0.2624 0.4268 ( 3332 PWs) bands (ev): -29.0015 -29.0015 -17.2830 -17.2830 -13.8158 -13.8141 -13.4218 -13.4211 -13.3989 -13.3989 -11.6493 -11.6436 -10.5255 -10.5255 -10.4994 -10.4938 -3.3473 -3.3471 -1.9473 -1.9453 -0.2227 -0.2208 -0.2016 -0.2009 1.5553 1.5556 1.7399 1.7403 2.3442 2.3501 2.3808 2.3824 2.4363 2.4394 3.7797 3.7800 4.3257 4.3268 4.3329 4.3335 10.6596 10.6610 10.9513 10.9544 11.8940 11.8941 11.9174 11.9256 k = 0.5000-0.2493 0.4361 ( 3342 PWs) bands (ev): -29.0015 -29.0015 -17.2832 -17.2832 -13.8161 -13.8136 -13.4215 -13.4204 -13.3986 -13.3985 -11.6512 -11.6427 -10.5263 -10.5261 -10.5009 -10.4924 -3.3464 -3.3462 -1.9458 -1.9428 -0.2271 -0.2240 -0.2042 -0.2029 1.5497 1.5502 1.7478 1.7484 2.3311 2.3371 2.3789 2.3797 2.4613 2.4647 3.7799 3.7804 4.3198 4.3215 4.3273 4.3282 10.6526 10.6545 10.9564 10.9610 11.8863 11.8898 11.9181 11.9256 k = 0.5000-0.2362 0.4454 ( 3342 PWs) bands (ev): -29.0015 -29.0015 -17.2834 -17.2834 -13.8163 -13.8131 -13.4210 -13.4196 -13.3980 -13.3980 -11.6533 -11.6420 -10.5274 -10.5269 -10.5025 -10.4911 -3.3453 -3.3450 -1.9435 -1.9396 -0.2336 -0.2294 -0.2068 -0.2050 1.5421 1.5428 1.7586 1.7594 2.3193 2.3252 2.3772 2.3773 2.4886 2.4921 3.7804 3.7810 4.3119 4.3140 4.3196 4.3208 10.6431 10.6456 10.9637 10.9698 11.8764 11.8843 11.9211 11.9265 k = 0.5000-0.2231 0.4546 ( 3342 PWs) bands (ev): -29.0015 -29.0015 -17.2836 -17.2836 -13.8166 -13.8126 -13.4204 -13.4186 -13.3973 -13.3972 -11.6555 -11.6416 -10.5288 -10.5278 -10.5042 -10.4897 -3.3438 -3.3435 -1.9405 -1.9356 -0.2424 -0.2371 -0.2092 -0.2069 1.5329 1.5337 1.7722 1.7732 2.3093 2.3151 2.3745 2.3751 2.5177 2.5212 3.7809 3.7818 4.3018 4.3044 4.3101 4.3117 10.6315 10.6345 10.9731 10.9809 11.8664 11.8784 11.9257 11.9287 k = 0.5000-0.2099 0.4639 ( 3344 PWs) bands (ev): -29.0015 -29.0015 -17.2839 -17.2839 -13.8168 -13.8121 -13.4197 -13.4176 -13.3963 -13.3962 -11.6579 -11.6413 -10.5304 -10.5288 -10.5059 -10.4884 -3.3421 -3.3417 -1.9369 -1.9310 -0.2531 -0.2470 -0.2112 -0.2086 1.5222 1.5231 1.7884 1.7896 2.3010 2.3068 2.3714 2.3726 2.5483 2.5518 3.7816 3.7827 4.2898 4.2927 4.2988 4.3008 10.6180 10.6215 10.9846 10.9939 11.8575 11.8728 11.9313 11.9322 k = 0.5000-0.1968 0.4732 ( 3340 PWs) bands (ev): -29.0015 -29.0015 -17.2843 -17.2842 -13.8170 -13.8115 -13.4190 -13.4167 -13.3950 -13.3949 -11.6603 -11.6413 -10.5323 -10.5299 -10.5078 -10.4870 -3.3401 -3.3397 -1.9327 -1.9258 -0.2655 -0.2586 -0.2130 -0.2102 1.5104 1.5114 1.8069 1.8083 2.2944 2.3002 2.3679 2.3695 2.5801 2.5835 3.7824 3.7837 4.2759 4.2792 4.2860 4.2885 10.6031 10.6070 10.9979 11.0090 11.8503 11.8683 11.9369 11.9380 k = 0.5000-0.1837 0.4825 ( 3344 PWs) bands (ev): -29.0015 -29.0015 -17.2846 -17.2846 -13.8171 -13.8109 -13.4184 -13.4158 -13.3935 -13.3934 -11.6629 -11.6414 -10.5344 -10.5310 -10.5098 -10.4857 -3.3380 -3.3375 -1.9279 -1.9202 -0.2792 -0.2715 -0.2147 -0.2118 1.4978 1.4989 1.8275 1.8289 2.2894 2.2952 2.3637 2.3658 2.6127 2.6160 3.7834 3.7849 4.2603 4.2639 4.2719 4.2749 10.5871 10.5913 11.0130 11.0257 11.8450 11.8652 11.9426 11.9455 k = 0.5000-0.1706 0.4918 ( 3346 PWs) bands (ev): -29.0015 -29.0015 -17.2850 -17.2850 -13.8172 -13.8104 -13.4179 -13.4151 -13.3917 -13.3916 -11.6654 -11.6416 -10.5366 -10.5321 -10.5119 -10.4844 -3.3357 -3.3352 -1.9228 -1.9141 -0.2938 -0.2854 -0.2163 -0.2133 1.4847 1.4858 1.8497 1.8513 2.2858 2.2915 2.3590 2.3615 2.6458 2.6491 3.7845 3.7863 4.2432 4.2471 4.2567 4.2603 10.5703 10.5748 11.0297 11.0441 11.8416 11.8637 11.9492 11.9537 k = 0.5000-0.1575 0.5010 ( 3346 PWs) bands (ev): -29.0015 -29.0015 -17.2854 -17.2854 -13.8173 -13.8098 -13.4175 -13.4144 -13.3897 -13.3896 -11.6680 -11.6420 -10.5390 -10.5331 -10.5140 -10.4832 -3.3333 -3.3327 -1.9173 -1.9077 -0.3090 -0.3000 -0.2179 -0.2148 1.4713 1.4725 1.8734 1.8751 2.2833 2.2890 2.3537 2.3566 2.6791 2.6823 3.7857 3.7879 4.2249 4.2291 4.2408 4.2450 10.5532 10.5579 11.0476 11.0638 11.8400 11.8638 11.9565 11.9628 k = 0.5000-0.1443 0.5103 ( 3350 PWs) bands (ev): -29.0015 -29.0015 -17.2858 -17.2858 -13.8173 -13.8093 -13.4172 -13.4140 -13.3875 -13.3873 -11.6705 -11.6426 -10.5414 -10.5341 -10.5162 -10.4820 -3.3309 -3.3302 -1.9116 -1.9011 -0.3245 -0.3148 -0.2195 -0.2162 1.4581 1.4593 1.8981 1.8999 2.2818 2.2874 2.3477 2.3509 2.7122 2.7153 3.7871 3.7895 4.2057 4.2102 4.2243 4.2291 10.5361 10.5410 11.0665 11.0845 11.8400 11.8652 11.9645 11.9725 k = 0.5000-0.1312 0.5196 ( 3346 PWs) bands (ev): -29.0015 -29.0015 -17.2862 -17.2862 -13.8174 -13.8088 -13.4169 -13.4136 -13.3853 -13.3850 -11.6730 -11.6432 -10.5438 -10.5350 -10.5183 -10.4809 -3.3284 -3.3277 -1.9058 -1.8945 -0.3400 -0.3296 -0.2211 -0.2177 1.4451 1.4463 1.9235 1.9254 2.2810 2.2867 2.3410 2.3446 2.7448 2.7478 3.7886 3.7914 4.1859 4.1906 4.2076 4.2131 10.5194 10.5244 11.0862 11.1060 11.8413 11.8679 11.9731 11.9828 k = 0.5000-0.1181 0.5289 ( 3344 PWs) bands (ev): -29.0015 -29.0015 -17.2866 -17.2866 -13.8174 -13.8083 -13.4168 -13.4133 -13.3830 -13.3826 -11.6753 -11.6438 -10.5461 -10.5358 -10.5205 -10.4799 -3.3260 -3.3253 -1.9000 -1.8879 -0.3550 -0.3441 -0.2226 -0.2191 1.4327 1.4339 1.9492 1.9513 2.2809 2.2865 2.3337 2.3375 2.7765 2.7794 3.7902 3.7933 4.1659 4.1709 4.1911 4.1971 10.5034 10.5085 11.1061 11.1278 11.8436 11.8714 11.9823 11.9938 k = 0.5000-0.1050 0.5381 ( 3352 PWs) bands (ev): -29.0015 -29.0015 -17.2870 -17.2870 -13.8174 -13.8078 -13.4167 -13.4131 -13.3807 -13.3802 -11.6776 -11.6445 -10.5483 -10.5365 -10.5226 -10.4789 -3.3237 -3.3229 -1.8944 -1.8816 -0.3695 -0.3579 -0.2240 -0.2204 1.4210 1.4223 1.9750 1.9772 2.2811 2.2867 2.3256 2.3298 2.8067 2.8095 3.7918 3.7954 4.1461 4.1513 4.1749 4.1815 10.4883 10.4934 11.1260 11.1496 11.8466 11.8756 11.9918 12.0054 k = 0.5000-0.0919 0.5474 ( 3354 PWs) bands (ev): -29.0015 -29.0015 -17.2874 -17.2874 -13.8174 -13.8074 -13.4166 -13.4130 -13.3785 -13.3779 -11.6796 -11.6452 -10.5504 -10.5370 -10.5247 -10.4781 -3.3215 -3.3207 -1.8891 -1.8756 -0.3830 -0.3709 -0.2253 -0.2216 1.4103 1.4116 2.0005 2.0026 2.2815 2.2871 2.3170 2.3214 2.8350 2.8377 3.7935 3.7975 4.1269 4.1324 4.1594 4.1667 10.4744 10.4796 11.1453 11.1708 11.8501 11.8801 12.0018 12.0175 k = 0.5000-0.0787 0.5567 ( 3346 PWs) bands (ev): -29.0015 -29.0015 -17.2877 -17.2877 -13.8173 -13.8070 -13.4166 -13.4129 -13.3765 -13.3758 -11.6815 -11.6458 -10.5524 -10.5374 -10.5266 -10.4773 -3.3195 -3.3187 -1.8841 -1.8700 -0.3952 -0.3827 -0.2264 -0.2227 1.4007 1.4020 2.0251 2.0273 2.2818 2.2873 2.3081 2.3128 2.8611 2.8637 3.7951 3.7996 4.1088 4.1145 4.1451 4.1530 10.4619 10.4672 11.1637 11.1909 11.8537 11.8846 12.0121 12.0302 k = 0.5000-0.0656 0.5660 ( 3346 PWs) bands (ev): -29.0015 -29.0015 -17.2880 -17.2880 -13.8173 -13.8067 -13.4166 -13.4129 -13.3746 -13.3739 -11.6831 -11.6465 -10.5540 -10.5376 -10.5284 -10.4767 -3.3178 -3.3169 -1.8797 -1.8651 -0.4061 -0.3931 -0.2275 -0.2236 1.3924 1.3937 2.0485 2.0507 2.2811 2.2867 2.2996 2.3045 2.8842 2.8867 3.7967 3.8016 4.0924 4.0983 4.1322 4.1406 10.4511 10.4563 11.1804 11.2093 11.8572 11.8890 12.0226 12.0432 k = 0.5000-0.0525 0.5753 ( 3350 PWs) bands (ev): -29.0015 -29.0015 -17.2882 -17.2882 -13.8173 -13.8064 -13.4167 -13.4129 -13.3731 -13.3723 -11.6845 -11.6470 -10.5555 -10.5377 -10.5301 -10.4762 -3.3163 -3.3154 -1.8759 -1.8609 -0.4152 -0.4019 -0.2283 -0.2244 1.3854 1.3867 2.0701 2.0722 2.2780 2.2835 2.2933 2.2986 2.9041 2.9065 3.7982 3.8035 4.0780 4.0841 4.1211 4.1300 10.4420 10.4473 11.1951 11.2255 11.8603 11.8929 12.0330 12.0565 k = 0.5000-0.0394 0.5845 ( 3350 PWs) bands (ev): -29.0015 -29.0015 -17.2884 -17.2884 -13.8173 -13.8062 -13.4167 -13.4129 -13.3718 -13.3710 -11.6856 -11.6474 -10.5566 -10.5375 -10.5315 -10.4757 -3.3151 -3.3142 -1.8729 -1.8575 -0.4226 -0.4089 -0.2290 -0.2251 1.3799 1.3812 2.0892 2.0911 2.2714 2.2770 2.2908 2.2962 2.9201 2.9224 3.7994 3.8050 4.0663 4.0725 4.1121 4.1214 10.4348 10.4401 11.2071 11.2389 11.8629 11.8961 12.0429 12.0694 k = 0.5000-0.0262 0.5938 ( 3348 PWs) bands (ev): -29.0015 -29.0015 -17.2886 -17.2886 -13.8173 -13.8060 -13.4167 -13.4129 -13.3709 -13.3700 -11.6864 -11.6477 -10.5575 -10.5373 -10.5328 -10.4754 -3.3143 -3.3133 -1.8706 -1.8550 -0.4279 -0.4141 -0.2295 -0.2256 1.3759 1.3772 2.1046 2.1063 2.2638 2.2697 2.2902 2.2957 2.9319 2.9342 3.8003 3.8063 4.0575 4.0639 4.1054 4.1150 10.4296 10.4349 11.2161 11.2489 11.8649 11.8986 12.0515 12.0811 k = 0.5000-0.0131 0.6031 ( 3348 PWs) bands (ev): -29.0015 -29.0015 -17.2887 -17.2886 -13.8173 -13.8059 -13.4167 -13.4129 -13.3703 -13.3694 -11.6868 -11.6479 -10.5580 -10.5370 -10.5337 -10.4753 -3.3137 -3.3128 -1.8693 -1.8534 -0.4311 -0.4172 -0.2298 -0.2259 1.3735 1.3748 2.1149 2.1164 2.2580 2.2641 2.2901 2.2956 2.9391 2.9413 3.8009 3.8070 4.0521 4.0586 4.1013 4.1112 10.4264 10.4317 11.2216 11.2551 11.8661 11.9001 12.0576 12.0897 k = 0.5000-0.0000 0.6124 ( 3380 PWs) bands (ev): -29.0015 -29.0015 -17.2887 -17.2887 -13.8173 -13.8059 -13.4167 -13.4129 -13.3701 -13.3693 -11.6870 -11.6480 -10.5581 -10.5368 -10.5340 -10.4752 -3.3136 -3.3126 -1.8688 -1.8529 -0.4322 -0.4182 -0.2300 -0.2260 1.3726 1.3739 2.1185 2.1200 2.2558 2.2620 2.2901 2.2956 2.9415 2.9438 3.8011 3.8073 4.0503 4.0568 4.0999 4.1098 10.4254 10.4307 11.2235 11.2572 11.8665 11.9006 12.0598 12.0930 k = 0.5000-0.0000 0.6124 ( 3380 PWs) bands (ev): -29.0015 -29.0015 -17.2887 -17.2887 -13.8173 -13.8059 -13.4167 -13.4129 -13.3701 -13.3693 -11.6870 -11.6480 -10.5581 -10.5368 -10.5340 -10.4752 -3.3136 -3.3126 -1.8688 -1.8529 -0.4322 -0.4182 -0.2300 -0.2260 1.3726 1.3739 2.1185 2.1200 2.2558 2.2620 2.2901 2.2956 2.9415 2.9438 3.8011 3.8073 4.0503 4.0568 4.0999 4.1098 10.4254 10.4307 11.2235 11.2572 11.8665 11.9006 12.0598 12.0930 k = 0.4922 0.0135 0.6124 ( 3348 PWs) bands (ev): -29.0015 -29.0015 -17.2887 -17.2887 -13.8171 -13.8058 -13.4167 -13.4128 -13.3702 -13.3693 -11.6870 -11.6480 -10.5581 -10.5369 -10.5339 -10.4753 -3.3145 -3.3136 -1.8681 -1.8522 -0.4319 -0.4179 -0.2305 -0.2265 1.3731 1.3744 2.1162 2.1187 2.2525 2.2587 2.2960 2.3007 2.9401 2.9423 3.8006 3.8068 4.0451 4.0518 4.1079 4.1169 10.4249 10.4303 11.2241 11.2576 11.8653 11.8995 12.0588 12.0916 k = 0.4844 0.0271 0.6124 ( 3348 PWs) bands (ev): -29.0015 -29.0015 -17.2889 -17.2888 -13.8166 -13.8053 -13.4164 -13.4126 -13.3706 -13.3696 -11.6870 -11.6481 -10.5580 -10.5373 -10.5335 -10.4756 -3.3173 -3.3164 -1.8659 -1.8502 -0.4309 -0.4169 -0.2322 -0.2280 1.3743 1.3756 2.1112 2.1150 2.2442 2.2500 2.3111 2.3140 2.9359 2.9382 3.7992 3.8055 4.0326 4.0397 4.1277 4.1352 10.4236 10.4292 11.2256 11.2587 11.8615 11.8964 12.0559 12.0881 k = 0.4766 0.0406 0.6124 ( 3350 PWs) bands (ev): -29.0015 -29.0015 -17.2891 -17.2890 -13.8158 -13.8047 -13.4160 -13.4123 -13.3711 -13.3700 -11.6869 -11.6481 -10.5578 -10.5378 -10.5328 -10.4761 -3.3216 -3.3207 -1.8627 -1.8470 -0.4291 -0.4152 -0.2349 -0.2305 1.3762 1.3775 2.1049 2.1096 2.2338 2.2391 2.3304 2.3320 2.9291 2.9315 3.7973 3.8038 4.0174 4.0247 4.1533 4.1597 10.4215 10.4274 11.2282 11.2605 11.8555 11.8913 12.0518 12.0834 k = 0.4688 0.0541 0.6124 ( 3346 PWs) bands (ev): -29.0015 -29.0015 -17.2893 -17.2893 -13.8147 -13.8039 -13.4154 -13.4119 -13.3718 -13.3706 -11.6869 -11.6482 -10.5575 -10.5385 -10.5320 -10.4767 -3.3271 -3.3261 -1.8585 -1.8430 -0.4266 -0.4128 -0.2386 -0.2339 1.3786 1.3798 2.0982 2.1036 2.2227 2.2274 2.3516 2.3527 2.9202 2.9226 3.7952 3.8020 4.0013 4.0089 4.1822 4.1876 10.4187 10.4250 11.2317 11.2630 11.8474 11.8844 12.0470 12.0782 k = 0.4609 0.0677 0.6124 ( 3346 PWs) bands (ev): -29.0015 -29.0015 -17.2896 -17.2895 -13.8135 -13.8029 -13.4146 -13.4113 -13.3727 -13.3714 -11.6868 -11.6482 -10.5572 -10.5392 -10.5310 -10.4776 -3.3334 -3.3324 -1.8536 -1.8383 -0.4232 -0.4096 -0.2433 -0.2382 1.3815 1.3826 2.0917 2.0974 2.2114 2.2156 2.3737 2.3750 2.9092 2.9117 3.7934 3.8003 3.9851 3.9929 4.2126 4.2174 10.4153 10.4221 11.2359 11.2659 11.8377 11.8759 12.0421 12.0731 k = 0.4531 0.0812 0.6124 ( 3344 PWs) bands (ev): -29.0015 -29.0015 -17.2898 -17.2898 -13.8122 -13.8019 -13.4136 -13.4106 -13.3738 -13.3724 -11.6867 -11.6483 -10.5568 -10.5400 -10.5299 -10.4785 -3.3403 -3.3393 -1.8483 -1.8331 -0.4191 -0.4057 -0.2488 -0.2434 1.3846 1.3856 2.0857 2.0916 2.2000 2.2038 2.3964 2.3981 2.8966 2.8992 3.7921 3.7992 3.9690 3.9769 4.2435 4.2477 10.4115 10.4187 11.2407 11.2692 11.8269 11.8661 12.0375 12.0682 k = 0.4453 0.0947 0.6124 ( 3346 PWs) bands (ev): -29.0016 -29.0016 -17.2902 -17.2901 -13.8107 -13.8009 -13.4125 -13.4097 -13.3750 -13.3735 -11.6866 -11.6483 -10.5563 -10.5409 -10.5287 -10.4796 -3.3474 -3.3465 -1.8427 -1.8278 -0.4142 -0.4011 -0.2552 -0.2494 1.3878 1.3888 2.0804 2.0862 2.1889 2.1923 2.4194 2.4215 2.8825 2.8852 3.7914 3.7987 3.9533 3.9612 4.2739 4.2777 10.4073 10.4151 11.2460 11.2727 11.8154 11.8554 12.0336 12.0635 k = 0.4375 0.1083 0.6124 ( 3350 PWs) bands (ev): -29.0016 -29.0016 -17.2905 -17.2904 -13.8093 -13.7998 -13.4112 -13.4087 -13.3764 -13.3749 -11.6865 -11.6484 -10.5558 -10.5418 -10.5275 -10.4807 -3.3546 -3.3536 -1.8371 -1.8225 -0.4085 -0.3957 -0.2623 -0.2561 1.3911 1.3920 2.0759 2.0816 2.1782 2.1812 2.4424 2.4448 2.8672 2.8700 3.7915 3.7990 3.9379 3.9459 4.3032 4.3066 10.4030 10.4112 11.2516 11.2763 11.8038 11.8442 12.0304 12.0590 k = 0.4297 0.1218 0.6124 ( 3348 PWs) bands (ev): -29.0016 -29.0016 -17.2908 -17.2907 -13.8078 -13.7988 -13.4098 -13.4076 -13.3778 -13.3764 -11.6864 -11.6484 -10.5552 -10.5427 -10.5262 -10.4820 -3.3615 -3.3605 -1.8317 -1.8173 -0.4021 -0.3897 -0.2701 -0.2633 1.3943 1.3951 2.0723 2.0776 2.1680 2.1707 2.4652 2.4678 2.8512 2.8541 3.7926 3.8002 3.9231 3.9311 4.3305 4.3336 10.3987 10.4074 11.2573 11.2799 11.7925 11.8332 12.0279 12.0548 k = 0.4219 0.1353 0.6124 ( 3345 PWs) bands (ev): -29.0016 -29.0016 -17.2910 -17.2910 -13.8064 -13.7979 -13.4082 -13.4065 -13.3794 -13.3780 -11.6864 -11.6484 -10.5546 -10.5437 -10.5249 -10.4832 -3.3679 -3.3670 -1.8266 -1.8125 -0.3951 -0.3831 -0.2784 -0.2711 1.3974 1.3981 2.0695 2.0745 2.1585 2.1610 2.4875 2.4902 2.8347 2.8377 3.7947 3.8023 3.9090 3.9170 4.3554 4.3582 10.3946 10.4037 11.2630 11.2832 11.7819 11.8226 12.0262 12.0506 k = 0.4141 0.1488 0.6124 ( 3349 PWs) bands (ev): -29.0016 -29.0016 -17.2913 -17.2913 -13.8052 -13.7971 -13.4066 -13.4052 -13.3809 -13.3796 -11.6863 -11.6484 -10.5539 -10.5446 -10.5236 -10.4844 -3.3737 -3.3728 -1.8221 -1.8082 -0.3875 -0.3760 -0.2871 -0.2793 1.4001 1.4007 2.0676 2.0722 2.1498 2.1523 2.5087 2.5115 2.8182 2.8213 3.7978 3.8054 3.8957 3.9035 4.3772 4.3799 10.3908 10.4003 11.2684 11.2861 11.7723 11.8129 12.0251 12.0467 k = 0.4062 0.1624 0.6124 ( 3347 PWs) bands (ev): -29.0016 -29.0016 -17.2915 -17.2915 -13.8041 -13.7965 -13.4050 -13.4040 -13.3825 -13.3813 -11.6862 -11.6484 -10.5532 -10.5455 -10.5224 -10.4855 -3.3787 -3.3777 -1.8182 -1.8045 -0.3794 -0.3686 -0.2960 -0.2877 1.4025 1.4030 2.0663 2.0705 2.1422 2.1448 2.5285 2.5313 2.8022 2.8055 3.8017 3.8092 3.8833 3.8909 4.3957 4.3982 10.3875 10.3973 11.2733 11.2884 11.7641 11.8045 12.0246 12.0430 k = 0.3984 0.1759 0.6124 ( 3347 PWs) bands (ev): -29.0016 -29.0016 -17.2917 -17.2916 -13.8031 -13.7959 -13.4034 -13.4028 -13.3839 -13.3829 -11.6862 -11.6484 -10.5525 -10.5465 -10.5214 -10.4865 -3.3827 -3.3817 -1.8150 -1.8015 -0.3711 -0.3612 -0.3049 -0.2961 1.4045 1.4049 2.0657 2.0694 2.1358 2.1386 2.5460 2.5487 2.7877 2.7910 3.8065 3.8137 3.8723 3.8794 4.4104 4.4129 10.3847 10.3948 11.2775 11.2902 11.7575 11.7977 12.0247 12.0396 k = 0.3906 0.1894 0.6124 ( 3343 PWs) bands (ev): -29.0016 -29.0016 -17.2918 -17.2918 -13.8025 -13.7956 -13.4021 -13.4017 -13.3851 -13.3843 -11.6862 -11.6484 -10.5518 -10.5473 -10.5206 -10.4872 -3.3856 -3.3847 -1.8127 -1.7993 -0.3629 -0.3542 -0.3132 -0.3041 1.4059 1.4062 2.0655 2.0689 2.1309 2.1340 2.5601 2.5627 2.7756 2.7791 3.8118 3.8181 3.8630 3.8693 4.4212 4.4235 10.3827 10.3929 11.2809 11.2913 11.7526 11.7926 12.0252 12.0367 k = 0.3828 0.2030 0.6124 ( 3340 PWs) bands (ev): -29.0016 -29.0016 -17.2919 -17.2918 -13.8020 -13.7953 -13.4011 -13.4010 -13.3859 -13.3853 -11.6861 -11.6484 -10.5512 -10.5480 -10.5201 -10.4877 -3.3874 -3.3865 -1.8113 -1.7980 -0.3557 -0.3491 -0.3197 -0.3106 1.4068 1.4070 2.0655 2.0686 2.1278 2.1311 2.5695 2.5720 2.7675 2.7710 3.8168 3.8214 3.8570 3.8612 4.4277 4.4300 10.3815 10.3918 11.2831 11.2918 11.7496 11.7895 12.0259 12.0345 k = 0.3750 0.2165 0.6124 ( 3352 PWs) bands (ev): -29.0016 -29.0016 -17.2919 -17.2919 -13.8019 -13.7953 -13.4008 -13.4007 -13.3862 -13.3856 -11.6861 -11.6484 -10.5509 -10.5483 -10.5200 -10.4879 -3.3880 -3.3871 -1.8108 -1.7975 -0.3521 -0.3476 -0.3223 -0.3134 1.4071 1.4073 2.0655 2.0685 2.1268 2.1301 2.5728 2.5753 2.7646 2.7681 3.8194 3.8222 3.8556 3.8572 4.4298 4.4321 10.3810 10.3914 11.2839 11.2920 11.7486 11.7885 12.0263 12.0336 k = 0.3750 0.2165 0.6124 ( 3352 PWs) bands (ev): -29.0016 -29.0016 -17.2919 -17.2919 -13.8019 -13.7953 -13.4008 -13.4007 -13.3862 -13.3856 -11.6861 -11.6484 -10.5509 -10.5483 -10.5200 -10.4879 -3.3880 -3.3871 -1.8108 -1.7975 -0.3521 -0.3476 -0.3223 -0.3134 1.4071 1.4073 2.0655 2.0685 2.1268 2.1301 2.5728 2.5753 2.7646 2.7681 3.8194 3.8222 3.8556 3.8572 4.4298 4.4321 10.3810 10.3914 11.2839 11.2920 11.7486 11.7885 12.0263 12.0336 k = 0.3670 0.2119 0.5993 ( 3342 PWs) bands (ev): -29.0016 -29.0016 -17.2933 -17.2933 -13.7982 -13.7917 -13.3991 -13.3984 -13.3848 -13.3842 -11.6891 -11.6500 -10.5531 -10.5505 -10.5218 -10.4886 -3.4026 -3.4016 -1.7881 -1.7743 -0.3679 -0.3640 -0.3339 -0.3240 1.3994 1.3994 2.1000 2.1051 2.1159 2.1171 2.5803 2.5830 2.7896 2.7930 3.8152 3.8165 3.8316 3.8316 4.4407 4.4430 10.3579 10.3685 11.3226 11.3308 11.7363 11.7768 12.0377 12.0450 k = 0.3590 0.2073 0.5863 ( 3338 PWs) bands (ev): -29.0016 -29.0016 -17.2949 -17.2948 -13.7939 -13.7877 -13.3976 -13.3962 -13.3832 -13.3828 -11.6920 -11.6516 -10.5552 -10.5527 -10.5237 -10.4894 -3.4196 -3.4186 -1.7636 -1.7492 -0.3846 -0.3812 -0.3453 -0.3346 1.3933 1.3934 2.0993 2.1039 2.1413 2.1428 2.5843 2.5873 2.8144 2.8177 3.7820 3.7825 3.8392 3.8409 4.4518 4.4542 10.3360 10.3467 11.3615 11.3699 11.7230 11.7639 12.0489 12.0558 k = 0.3511 0.2027 0.5733 ( 3338 PWs) bands (ev): -29.0016 -29.0016 -17.2966 -17.2965 -13.7891 -13.7832 -13.3962 -13.3940 -13.3816 -13.3813 -11.6949 -11.6534 -10.5572 -10.5548 -10.5256 -10.4904 -3.4393 -3.4381 -1.7374 -1.7227 -0.4021 -0.3990 -0.3566 -0.3452 1.3891 1.3894 2.0870 2.0911 2.1789 2.1808 2.5845 2.5877 2.8388 2.8420 3.7516 3.7522 3.8497 3.8518 4.4632 4.4656 10.3154 10.3262 11.4003 11.4090 11.7086 11.7499 12.0597 12.0660 k = 0.3431 0.1981 0.5603 ( 3334 PWs) bands (ev): -29.0017 -29.0017 -17.2984 -17.2983 -13.7837 -13.7782 -13.3949 -13.3918 -13.3799 -13.3798 -11.6976 -11.6553 -10.5590 -10.5569 -10.5275 -10.4915 -3.4614 -3.4602 -1.7098 -1.6947 -0.4202 -0.4174 -0.3678 -0.3558 1.3872 1.3876 2.0746 2.0784 2.2174 2.2192 2.5803 2.5838 2.8628 2.8659 3.7261 3.7268 3.8617 3.8640 4.4748 4.4773 10.2961 10.3070 11.4385 11.4475 11.6930 11.7348 12.0698 12.0752 k = 0.3351 0.1935 0.5472 ( 3348 PWs) bands (ev): -29.0017 -29.0017 -17.3004 -17.3003 -13.7777 -13.7726 -13.3938 -13.3898 -13.3782 -13.3782 -11.7003 -11.6572 -10.5608 -10.5589 -10.5295 -10.4928 -3.4862 -3.4849 -1.6810 -1.6656 -0.4389 -0.4364 -0.3790 -0.3665 1.3877 1.3883 2.0621 2.0658 2.2561 2.2577 2.5717 2.5755 2.8864 2.8894 3.7062 3.7070 3.8751 3.8775 4.4866 4.4891 10.2783 10.2893 11.4756 11.4850 11.6764 11.7185 12.0791 12.0829 k = 0.3271 0.1889 0.5342 ( 3344 PWs) bands (ev): -29.0017 -29.0017 -17.3025 -17.3024 -13.7711 -13.7665 -13.3929 -13.3878 -13.3766 -13.3763 -11.7028 -11.6592 -10.5624 -10.5608 -10.5314 -10.4942 -3.5134 -3.5120 -1.6512 -1.6355 -0.4582 -0.4559 -0.3902 -0.3773 1.3910 1.3917 2.0497 2.0533 2.2947 2.2960 2.5588 2.5630 2.9095 2.9123 3.6923 3.6930 3.8899 3.8924 4.4985 4.5011 10.2620 10.2730 11.5108 11.5209 11.6587 11.7011 12.0871 12.0886 k = 0.3191 0.1843 0.5212 ( 3348 PWs) bands (ev): -29.0018 -29.0018 -17.3048 -17.3047 -13.7639 -13.7597 -13.3920 -13.3861 -13.3749 -13.3744 -11.7051 -11.6613 -10.5639 -10.5626 -10.5334 -10.4957 -3.5430 -3.5416 -1.6207 -1.6049 -0.4779 -0.4757 -0.4014 -0.3882 1.3972 1.3980 2.0373 2.0408 2.3327 2.3335 2.5420 2.5468 2.9319 2.9346 3.6844 3.6852 3.9060 3.9086 4.5106 4.5131 10.2470 10.2581 11.5435 11.5543 11.6398 11.6827 12.0917 12.0935 k = 0.3112 0.1797 0.5081 ( 3346 PWs) bands (ev): -29.0018 -29.0018 -17.3072 -17.3071 -13.7560 -13.7524 -13.3913 -13.3844 -13.3731 -13.3725 -11.7074 -11.6634 -10.5652 -10.5643 -10.5353 -10.4974 -3.5749 -3.5735 -1.5898 -1.5738 -0.4979 -0.4959 -0.4128 -0.3995 1.4065 1.4075 2.0248 2.0282 2.3689 2.3690 2.5226 2.5283 2.9538 2.9564 3.6826 3.6833 3.9235 3.9262 4.5227 4.5252 10.2334 10.2445 11.5724 11.5845 11.6198 11.6634 12.0915 12.0977 k = 0.3032 0.1750 0.4951 ( 3346 PWs) bands (ev): -29.0018 -29.0018 -17.3098 -17.3097 -13.7475 -13.7445 -13.3907 -13.3830 -13.3714 -13.3706 -11.7094 -11.6656 -10.5664 -10.5659 -10.5372 -10.4992 -3.6091 -3.6076 -1.5587 -1.5427 -0.5183 -0.5164 -0.4245 -0.4111 1.4193 1.4204 2.0123 2.0156 2.3986 2.4002 2.5045 2.5117 2.9750 2.9774 3.6865 3.6872 3.9424 3.9452 4.5349 4.5374 10.2210 10.2320 11.5955 11.5984 11.6105 11.6439 12.0875 12.0986 k = 0.2952 0.1704 0.4821 ( 3352 PWs) bands (ev): -29.0019 -29.0019 -17.3125 -17.3124 -13.7384 -13.7360 -13.3902 -13.3816 -13.3695 -13.3687 -11.7113 -11.6677 -10.5674 -10.5673 -10.5390 -10.5011 -3.6453 -3.6438 -1.5278 -1.5118 -0.5389 -0.5371 -0.4366 -0.4232 1.4356 1.4369 1.9998 2.0030 2.4123 2.4150 2.4995 2.5076 2.9956 2.9978 3.6958 3.6964 3.9627 3.9656 4.5470 4.5496 10.2095 10.2205 11.5759 11.6052 11.6301 11.6302 12.0796 12.0956 k = 0.2872 0.1658 0.4691 ( 3364 PWs) bands (ev): -29.0019 -29.0019 -17.3154 -17.3153 -13.7287 -13.7269 -13.3897 -13.3804 -13.3677 -13.3668 -11.7130 -11.6700 -10.5686 -10.5683 -10.5408 -10.5031 -3.6834 -3.6819 -1.4972 -1.4813 -0.5597 -0.5580 -0.4492 -0.4359 1.4557 1.4572 1.9871 1.9902 2.4011 2.4024 2.5189 2.5256 3.0154 3.0175 3.7100 3.7106 3.9843 3.9872 4.5592 4.5617 10.1987 10.2096 11.5517 11.5888 11.6329 11.6423 12.0684 12.0882 k = 0.2793 0.1612 0.4560 ( 3360 PWs) bands (ev): -29.0020 -29.0020 -17.3184 -17.3183 -13.7184 -13.7173 -13.3892 -13.3793 -13.3659 -13.3649 -11.7145 -11.6722 -10.5698 -10.5690 -10.5425 -10.5052 -3.7233 -3.7218 -1.4673 -1.4516 -0.5806 -0.5790 -0.4623 -0.4492 1.4798 1.4813 1.9744 1.9774 2.3751 2.3752 2.5509 2.5561 3.0345 3.0365 3.7285 3.7290 4.0072 4.0102 4.5713 4.5738 10.1883 10.1990 11.5253 11.5627 11.6338 11.6455 12.0546 12.0768 k = 0.2713 0.1566 0.4430 ( 3360 PWs) bands (ev): -29.0021 -29.0021 -17.3215 -17.3215 -13.7075 -13.7070 -13.3888 -13.3783 -13.3641 -13.3631 -11.7159 -11.6744 -10.5708 -10.5696 -10.5442 -10.5074 -3.7649 -3.7633 -1.4382 -1.4227 -0.6015 -0.6000 -0.4762 -0.4633 1.5078 1.5095 1.9615 1.9644 2.3425 2.3435 2.5865 2.5907 3.0528 3.0547 3.7509 3.7514 4.0314 4.0345 4.5834 4.5858 10.1777 10.1883 11.4960 11.5315 11.6268 11.6387 12.0389 12.0623 k = 0.2633 0.1520 0.4300 ( 3368 PWs) bands (ev): -29.0021 -29.0021 -17.3248 -17.3247 -13.6963 -13.6961 -13.3884 -13.3773 -13.3624 -13.3614 -11.7171 -11.6766 -10.5717 -10.5700 -10.5458 -10.5096 -3.8079 -3.8063 -1.4101 -1.3949 -0.6225 -0.6210 -0.4908 -0.4782 1.5399 1.5417 1.9485 1.9514 2.3079 2.3093 2.6230 2.6266 3.0705 3.0722 3.7766 3.7771 4.0568 4.0598 4.5954 4.5978 10.1666 10.1769 11.4628 11.4947 11.6127 11.6231 12.0216 12.0456 k = 0.2553 0.1474 0.4169 ( 3374 PWs) bands (ev): -29.0022 -29.0022 -17.3282 -17.3281 -13.6850 -13.6842 -13.3880 -13.3764 -13.3608 -13.3598 -11.7180 -11.6788 -10.5724 -10.5703 -10.5473 -10.5119 -3.8521 -3.8506 -1.3831 -1.3683 -0.6434 -0.6419 -0.5062 -0.4940 1.5760 1.5778 1.9354 1.9382 2.2725 2.2743 2.6596 2.6627 3.0874 3.0890 3.8053 3.8058 4.0832 4.0863 4.6072 4.6096 10.1542 10.1641 11.4247 11.4514 11.5941 11.6012 12.0033 12.0274 k = 0.2473 0.1428 0.4039 ( 3362 PWs) bands (ev): -29.0023 -29.0023 -17.3317 -17.3316 -13.6732 -13.6718 -13.3875 -13.3754 -13.3592 -13.3582 -11.7189 -11.6810 -10.5729 -10.5705 -10.5486 -10.5142 -3.8975 -3.8960 -1.3573 -1.3430 -0.6642 -0.6628 -0.5226 -0.5108 1.6160 1.6179 1.9222 1.9249 2.2373 2.2393 2.6960 2.6987 3.1036 3.1051 3.8366 3.8370 4.1107 4.1138 4.6189 4.6213 10.1397 10.1492 11.3817 11.4022 11.5739 11.5766 11.9841 12.0080 k = 0.2394 0.1382 0.3909 ( 3366 PWs) bands (ev): -29.0023 -29.0023 -17.3353 -17.3352 -13.6610 -13.6589 -13.3870 -13.3746 -13.3578 -13.3568 -11.7195 -11.6831 -10.5733 -10.5706 -10.5499 -10.5166 -3.9439 -3.9424 -1.3329 -1.3191 -0.6848 -0.6834 -0.5399 -0.5286 1.6595 1.6615 1.9088 1.9115 2.2029 2.2051 2.7319 2.7342 3.1191 3.1204 3.8700 3.8704 4.1391 4.1422 4.6305 4.6328 10.1223 10.1313 11.3345 11.3490 11.5521 11.5539 11.9641 11.9875 k = 0.2314 0.1336 0.3778 ( 3364 PWs) bands (ev): -29.0024 -29.0024 -17.3389 -17.3389 -13.6484 -13.6457 -13.3865 -13.3737 -13.3564 -13.3554 -11.7200 -11.6852 -10.5736 -10.5706 -10.5511 -10.5190 -3.9910 -3.9896 -1.3099 -1.2966 -0.7052 -0.7038 -0.5581 -0.5474 1.7062 1.7083 1.8954 1.8980 2.1700 2.1724 2.7671 2.7691 3.1339 3.1351 3.9054 3.9057 4.1683 4.1714 4.6419 4.6441 10.1011 10.1094 11.2854 11.2945 11.5295 11.5351 11.9432 11.9661 k = 0.2234 0.1290 0.3648 ( 3364 PWs) bands (ev): -29.0025 -29.0025 -17.3427 -17.3427 -13.6355 -13.6321 -13.3859 -13.3728 -13.3551 -13.3542 -11.7203 -11.6873 -10.5737 -10.5704 -10.5522 -10.5214 -4.0387 -4.0374 -1.2881 -1.2755 -0.7253 -0.7240 -0.5773 -0.5671 1.7551 1.7572 1.8819 1.8844 2.1396 2.1422 2.8017 2.8034 3.1480 3.1492 3.9423 3.9425 4.1983 4.2013 4.6530 4.6553 10.0750 10.0827 11.2368 11.2414 11.5091 11.5176 11.9216 11.9436 k = 0.2154 0.1244 0.3518 ( 3364 PWs) bands (ev): -29.0026 -29.0026 -17.3465 -17.3465 -13.6222 -13.6182 -13.3852 -13.3719 -13.3540 -13.3530 -11.7205 -11.6893 -10.5737 -10.5702 -10.5531 -10.5238 -4.0869 -4.0856 -1.2678 -1.2558 -0.7451 -0.7439 -0.5974 -0.5877 1.8044 1.8067 1.8684 1.8709 2.1134 2.1162 2.8355 2.8369 3.1615 3.1626 3.9806 3.9808 4.2288 4.2318 4.6640 4.6662 10.0434 10.0502 11.1912 11.1921 11.4910 11.5017 11.8990 11.9200 k = 0.2074 0.1198 0.3388 ( 3369 PWs) bands (ev): -29.0027 -29.0027 -17.3504 -17.3503 -13.6086 -13.6040 -13.3845 -13.3710 -13.3529 -13.3519 -11.7205 -11.6912 -10.5735 -10.5699 -10.5540 -10.5262 -4.1354 -4.1341 -1.2487 -1.2374 -0.7646 -0.7633 -0.6183 -0.6092 1.8495 1.8518 1.8563 1.8587 2.0947 2.0976 2.8685 2.8696 3.1744 3.1754 4.0199 4.0201 4.2598 4.2628 4.6747 4.6768 10.0055 10.0115 11.1486 11.1506 11.4750 11.4871 11.8756 11.8955 k = 0.1995 0.1152 0.3257 ( 3373 PWs) bands (ev): -29.0028 -29.0028 -17.3543 -17.3543 -13.5948 -13.5897 -13.3836 -13.3700 -13.3520 -13.3510 -11.7204 -11.6930 -10.5732 -10.5695 -10.5547 -10.5286 -4.1839 -4.1828 -1.2309 -1.2202 -0.7836 -0.7824 -0.6398 -0.6313 1.8411 1.8431 1.8881 1.8899 2.0904 2.0932 2.9006 2.9014 3.1866 3.1876 4.0602 4.0603 4.2912 4.2941 4.6852 4.6872 9.9612 9.9663 11.1120 11.1163 11.4609 11.4739 11.8512 11.8700 k = 0.1915 0.1106 0.3127 ( 3377 PWs) bands (ev): -29.0029 -29.0029 -17.3582 -17.3582 -13.5808 -13.5752 -13.3827 -13.3691 -13.3512 -13.3501 -11.7202 -11.6948 -10.5728 -10.5691 -10.5553 -10.5309 -4.2324 -4.2313 -1.2143 -1.2043 -0.8022 -0.8011 -0.6620 -0.6541 1.8275 1.8296 1.9059 1.9071 2.1096 2.1117 2.9317 2.9324 3.1983 3.1991 4.1012 4.1013 4.3228 4.3256 4.6954 4.6973 9.9104 9.9148 11.0827 11.0889 11.4486 11.4620 11.8260 11.8436 k = 0.1835 0.1059 0.2997 ( 3383 PWs) bands (ev): -29.0030 -29.0030 -17.3622 -17.3621 -13.5668 -13.5606 -13.3818 -13.3681 -13.3504 -13.3494 -11.7199 -11.6965 -10.5723 -10.5686 -10.5558 -10.5331 -4.2806 -4.2796 -1.1988 -1.1895 -0.8204 -0.8192 -0.6847 -0.6774 1.8141 1.8160 1.9042 1.9045 2.1521 2.1535 2.9619 2.9623 3.2094 3.2102 4.1427 4.1428 4.3545 4.3573 4.7053 4.7072 9.8537 9.8574 11.0610 11.0685 11.4378 11.4513 11.8001 11.8164 k = 0.1755 0.1013 0.2866 ( 3379 PWs) bands (ev): -29.0031 -29.0031 -17.3661 -17.3660 -13.5527 -13.5461 -13.3807 -13.3670 -13.3498 -13.3487 -11.7194 -11.6981 -10.5716 -10.5681 -10.5562 -10.5353 -4.3283 -4.3274 -1.1843 -1.1757 -0.8380 -0.8369 -0.7078 -0.7010 1.8007 1.8026 1.8906 1.8909 2.2093 2.2102 2.9912 2.9914 3.2199 3.2207 4.1846 4.1846 4.3861 4.3889 4.7149 4.7167 9.7918 9.7949 11.0462 11.0547 11.4284 11.4417 11.7734 11.7885 k = 0.1676 0.0967 0.2736 ( 3377 PWs) bands (ev): -29.0032 -29.0032 -17.3700 -17.3699 -13.5386 -13.5316 -13.3795 -13.3660 -13.3492 -13.3481 -11.7189 -11.6996 -10.5709 -10.5675 -10.5565 -10.5374 -4.3755 -4.3747 -1.1708 -1.1629 -0.8550 -0.8539 -0.7310 -0.7248 1.7875 1.7893 1.8720 1.8726 2.2742 2.2748 3.0194 3.0194 3.2299 3.2306 4.2266 4.2267 4.4177 4.4203 4.7241 4.7259 9.7259 9.7284 11.0376 11.0468 11.4202 11.4332 11.7461 11.7600 k = 0.1596 0.0921 0.2606 ( 3379 PWs) bands (ev): -29.0033 -29.0033 -17.3738 -17.3738 -13.5246 -13.5173 -13.3783 -13.3649 -13.3488 -13.3476 -11.7184 -11.7009 -10.5701 -10.5669 -10.5567 -10.5395 -4.4219 -4.4212 -1.1583 -1.1510 -0.8715 -0.8704 -0.7542 -0.7486 1.7745 1.7762 1.8516 1.8524 2.3432 2.3437 3.0463 3.0465 3.2394 3.2400 4.2687 4.2687 4.4489 4.4515 4.7331 4.7348 9.6568 9.6590 11.0345 11.0440 11.4132 11.4256 11.7183 11.7311 k = 0.1516 0.0875 0.2476 ( 3367 PWs) bands (ev): -29.0034 -29.0034 -17.3776 -17.3776 -13.5108 -13.5032 -13.3771 -13.3638 -13.3484 -13.3472 -11.7177 -11.7022 -10.5693 -10.5663 -10.5568 -10.5414 -4.4674 -4.4667 -1.1465 -1.1399 -0.8874 -0.8863 -0.7774 -0.7722 1.7617 1.7634 1.8309 1.8319 2.4146 2.4150 3.0722 3.0725 3.2484 3.2490 4.3105 4.3107 4.4798 4.4822 4.7417 4.7433 9.5857 9.5875 11.0359 11.0454 11.4072 11.4188 11.6903 11.7019 k = 0.1436 0.0829 0.2345 ( 3363 PWs) bands (ev): -29.0034 -29.0034 -17.3813 -17.3813 -13.4971 -13.4893 -13.3757 -13.3627 -13.3481 -13.3469 -11.7171 -11.7034 -10.5684 -10.5656 -10.5569 -10.5432 -4.5118 -4.5112 -1.1356 -1.1296 -0.9026 -0.9015 -0.8003 -0.7956 1.7492 1.7508 1.8105 1.8116 2.4870 2.4874 3.0969 3.0974 3.2569 3.2574 4.3521 4.3522 4.5101 4.5124 4.7499 4.7515 9.5136 9.5151 11.0410 11.0504 11.4019 11.4128 11.6621 11.6726 k = 0.1356 0.0783 0.2215 ( 3359 PWs) bands (ev): -29.0035 -29.0035 -17.3849 -17.3849 -13.4838 -13.4758 -13.3743 -13.3616 -13.3478 -13.3466 -11.7164 -11.7045 -10.5674 -10.5649 -10.5569 -10.5449 -4.5548 -4.5543 -1.1254 -1.1200 -0.9171 -0.9161 -0.8228 -0.8186 1.7370 1.7385 1.7909 1.7920 2.5597 2.5602 3.1206 3.1212 3.2649 3.2654 4.3931 4.3933 4.5397 4.5420 4.7578 4.7593 9.4413 9.4425 11.0490 11.0580 11.3973 11.4073 11.6339 11.6434 k = 0.1277 0.0737 0.2085 ( 3373 PWs) bands (ev): -29.0036 -29.0036 -17.3884 -17.3884 -13.4707 -13.4627 -13.3729 -13.3605 -13.3476 -13.3463 -11.7157 -11.7054 -10.5664 -10.5642 -10.5568 -10.5465 -4.5965 -4.5960 -1.1159 -1.1111 -0.9309 -0.9299 -0.8447 -0.8410 1.7253 1.7267 1.7721 1.7732 2.6320 2.6325 3.1430 3.1437 3.2725 3.2729 4.4335 4.4338 4.5685 4.5706 4.7653 4.7667 9.3696 9.3706 11.0593 11.0678 11.3932 11.4022 11.6059 11.6145 k = 0.1197 0.0691 0.1954 ( 3365 PWs) bands (ev): -29.0037 -29.0037 -17.3918 -17.3918 -13.4582 -13.4500 -13.3714 -13.3594 -13.3474 -13.3461 -11.7150 -11.7062 -10.5654 -10.5635 -10.5567 -10.5479 -4.6365 -4.6362 -1.1071 -1.1028 -0.9440 -0.9430 -0.8660 -0.8626 1.7139 1.7152 1.7543 1.7554 2.7033 2.7038 3.1643 3.1651 3.2796 3.2800 4.4731 4.4734 4.5964 4.5984 4.7724 4.7737 9.2992 9.3000 11.0713 11.0792 11.3893 11.3974 11.5783 11.5860 k = 0.1117 0.0645 0.1824 ( 3367 PWs) bands (ev): -29.0038 -29.0038 -17.3950 -17.3950 -13.4460 -13.4380 -13.3699 -13.3584 -13.3472 -13.3459 -11.7143 -11.7070 -10.5645 -10.5628 -10.5566 -10.5492 -4.6748 -4.6745 -1.0989 -1.0951 -0.9564 -0.9554 -0.8864 -0.8834 1.7031 1.7043 1.7375 1.7386 2.7729 2.7734 3.1843 3.1851 3.2862 3.2866 4.5117 4.5119 4.6232 4.6251 4.7791 4.7803 9.2307 9.2314 11.0846 11.0917 11.3856 11.3928 11.5514 11.5582 k = 0.1037 0.0599 0.1694 ( 3363 PWs) bands (ev): -29.0039 -29.0039 -17.3981 -17.3981 -13.4345 -13.4265 -13.3684 -13.3574 -13.3470 -13.3458 -11.7136 -11.7076 -10.5635 -10.5621 -10.5565 -10.5504 -4.7112 -4.7109 -1.0914 -1.0880 -0.9680 -0.9670 -0.9058 -0.9032 1.6927 1.6939 1.7219 1.7229 2.8403 2.8409 3.2030 3.2039 3.2925 3.2928 4.5490 4.5493 4.6489 4.6506 4.7854 4.7865 9.1646 9.1652 11.0987 11.1051 11.3819 11.3882 11.5253 11.5313 k = 0.0957 0.0553 0.1564 ( 3367 PWs) bands (ev): -29.0040 -29.0040 -17.4010 -17.4010 -13.4235 -13.4158 -13.3668 -13.3565 -13.3468 -13.3456 -11.7130 -11.7081 -10.5625 -10.5614 -10.5564 -10.5515 -4.7455 -4.7453 -1.0845 -1.0815 -0.9788 -0.9778 -0.9242 -0.9220 1.6829 1.6840 1.7073 1.7083 2.9051 2.9057 3.2205 3.2214 3.2983 3.2986 4.5848 4.5851 4.6732 4.6748 4.7913 4.7923 9.1015 9.1019 11.1134 11.1189 11.3781 11.3836 11.5002 11.5055 k = 0.0878 0.0507 0.1433 ( 3375 PWs) bands (ev): -29.0041 -29.0041 -17.4037 -17.4037 -13.4132 -13.4058 -13.3653 -13.3556 -13.3466 -13.3455 -11.7124 -11.7085 -10.5616 -10.5607 -10.5563 -10.5524 -4.7777 -4.7775 -1.0782 -1.0756 -0.9887 -0.9878 -0.9413 -0.9395 1.6738 1.6747 1.6939 1.6948 2.9666 2.9673 3.2366 3.2375 3.3038 3.3040 4.6191 4.6194 4.6961 4.6976 4.7967 4.7977 9.0417 9.0420 11.1283 11.1331 11.3742 11.3788 11.4764 11.4809 k = 0.0798 0.0461 0.1303 ( 3373 PWs) bands (ev): -29.0041 -29.0041 -17.4063 -17.4063 -13.4037 -13.3967 -13.3637 -13.3548 -13.3463 -13.3454 -11.7118 -11.7089 -10.5607 -10.5600 -10.5562 -10.5532 -4.8075 -4.8074 -1.0726 -1.0704 -0.9979 -0.9970 -0.9572 -0.9556 1.6652 1.6661 1.6816 1.6825 3.0245 3.0252 3.2513 3.2522 3.3089 3.3091 4.6514 4.6517 4.7175 4.7188 4.8018 4.8026 8.9857 8.9859 11.1433 11.1474 11.3700 11.3740 11.4539 11.4577 k = 0.0718 0.0415 0.1173 ( 3379 PWs) bands (ev): -29.0042 -29.0042 -17.4086 -17.4086 -13.3951 -13.3885 -13.3619 -13.3540 -13.3460 -13.3452 -11.7113 -11.7091 -10.5599 -10.5594 -10.5561 -10.5539 -4.8349 -4.8348 -1.0677 -1.0658 -1.0061 -1.0052 -0.9717 -0.9704 1.6574 1.6582 1.6704 1.6713 3.0782 3.0788 3.2647 3.2656 3.3137 3.3139 4.6816 4.6819 4.7372 4.7384 4.8064 4.8072 8.9338 8.9340 11.1582 11.1616 11.3657 11.3689 11.4331 11.4362 k = 0.0638 0.0369 0.1042 ( 3375 PWs) bands (ev): -29.0043 -29.0043 -17.4107 -17.4107 -13.3873 -13.3815 -13.3600 -13.3531 -13.3457 -13.3451 -11.7108 -11.7093 -10.5591 -10.5588 -10.5561 -10.5545 -4.8598 -4.8597 -1.0636 -1.0620 -1.0134 -1.0125 -0.9846 -0.9836 1.6503 1.6510 1.6605 1.6612 3.1273 3.1279 3.2767 3.2775 3.3182 3.3184 4.7094 4.7097 4.7552 4.7563 4.8107 4.8113 8.8863 8.8865 11.1729 11.1756 11.3612 11.3638 11.4140 11.4165 k = 0.0559 0.0322 0.0912 ( 3375 PWs) bands (ev): -29.0043 -29.0043 -17.4126 -17.4126 -13.3806 -13.3758 -13.3578 -13.3522 -13.3454 -13.3449 -11.7105 -11.7094 -10.5585 -10.5582 -10.5560 -10.5550 -4.8819 -4.8819 -1.0604 -1.0591 -1.0195 -1.0187 -0.9960 -0.9952 1.6440 1.6446 1.6516 1.6523 3.1713 3.1718 3.2873 3.2881 3.3225 3.3226 4.7345 4.7347 4.7714 4.7723 4.8146 4.8151 8.8437 8.8438 11.1872 11.1893 11.3566 11.3585 11.3969 11.3987 k = 0.0479 0.0276 0.0782 ( 3379 PWs) bands (ev): -29.0044 -29.0044 -17.4143 -17.4143 -13.3750 -13.3714 -13.3552 -13.3511 -13.3450 -13.3447 -11.7101 -11.7094 -10.5579 -10.5577 -10.5560 -10.5553 -4.9013 -4.9013 -1.0582 -1.0572 -1.0244 -1.0238 -1.0058 -1.0052 1.6384 1.6390 1.6440 1.6446 3.2096 3.2101 3.2968 3.2975 3.3265 3.3266 4.7566 4.7568 4.7858 4.7865 4.8181 4.8185 8.8061 8.8061 11.2010 11.2026 11.3520 11.3532 11.3819 11.3829 k = 0.0399 0.0230 0.0651 ( 3377 PWs) bands (ev): -29.0044 -29.0044 -17.4157 -17.4157 -13.3706 -13.3683 -13.3524 -13.3498 -13.3447 -13.3445 -11.7099 -11.7095 -10.5573 -10.5572 -10.5560 -10.5556 -4.9179 -4.9179 -1.0572 -1.0565 -1.0279 -1.0274 -1.0139 -1.0135 1.6337 1.6341 1.6375 1.6380 3.2417 3.2421 3.3055 3.3060 3.3302 3.3304 4.7752 4.7754 4.7983 4.7989 4.8213 4.8216 8.7738 8.7738 11.2142 11.2153 11.3475 11.3480 11.3692 11.3694 k = 0.0319 0.0184 0.0521 ( 3377 PWs) bands (ev): -29.0044 -29.0044 -17.4169 -17.4169 -13.3674 -13.3662 -13.3496 -13.3483 -13.3445 -13.3444 -11.7097 -11.7094 -10.5569 -10.5568 -10.5560 -10.5558 -4.9316 -4.9316 -1.0573 -1.0570 -1.0300 -1.0297 -1.0203 -1.0201 1.6298 1.6301 1.6322 1.6326 3.2666 3.2669 3.3140 3.3144 3.3336 3.3337 4.7901 4.7902 4.8091 4.8096 4.8243 4.8245 8.7470 8.7470 11.2266 11.2274 11.3430 11.3432 11.3582 11.3586 k = 0.0239 0.0138 0.0391 ( 3377 PWs) bands (ev): -29.0045 -29.0045 -17.4178 -17.4178 -13.3653 -13.3648 -13.3473 -13.3467 -13.3443 -13.3442 -11.7095 -11.7094 -10.5566 -10.5565 -10.5561 -10.5560 -4.9423 -4.9422 -1.0583 -1.0581 -1.0309 -1.0308 -1.0252 -1.0251 1.6267 1.6270 1.6281 1.6284 3.2837 3.2839 3.3231 3.3233 3.3364 3.3365 4.8008 4.8009 4.8183 4.8186 4.8270 4.8271 8.7260 8.7260 11.2381 11.2385 11.3384 11.3392 11.3492 11.3500 k = 0.0160 0.0092 0.0261 ( 3383 PWs) bands (ev): -29.0045 -29.0045 -17.4184 -17.4184 -13.3641 -13.3639 -13.3455 -13.3453 -13.3441 -13.3441 -11.7094 -11.7094 -10.5563 -10.5563 -10.5561 -10.5561 -4.9499 -4.9499 -1.0594 -1.0594 -1.0313 -1.0312 -1.0286 -1.0286 1.6246 1.6248 1.6252 1.6254 3.2936 3.2936 3.3318 3.3319 3.3386 3.3387 4.8076 4.8077 4.8254 4.8256 4.8293 4.8293 8.7109 8.7109 11.2480 11.2482 11.3347 11.3356 11.3417 11.3422 k = 0.0080 0.0046 0.0130 ( 3383 PWs) bands (ev): -29.0045 -29.0045 -17.4188 -17.4188 -13.3634 -13.3634 -13.3444 -13.3443 -13.3440 -13.3440 -11.7094 -11.7094 -10.5562 -10.5562 -10.5561 -10.5561 -4.9545 -4.9545 -1.0603 -1.0603 -1.0313 -1.0313 -1.0306 -1.0306 1.6233 1.6234 1.6234 1.6235 3.2984 3.2984 3.3382 3.3382 3.3400 3.3400 4.8112 4.8113 4.8300 4.8300 4.8310 4.8310 8.7017 8.7017 11.2552 11.2552 11.3324 11.3330 11.3349 11.3350 k = 0.0000 0.0000 0.0000 ( 3383 PWs) bands (ev): -29.0045 -29.0045 -17.4190 -17.4190 -13.3632 -13.3632 -13.3440 -13.3440 -13.3440 -13.3440 -11.7093 -11.7093 -10.5561 -10.5561 -10.5561 -10.5561 -4.9561 -4.9561 -1.0607 -1.0607 -1.0313 -1.0313 -1.0313 -1.0313 1.6229 1.6229 1.6229 1.6229 3.2998 3.2998 3.3404 3.3404 3.3405 3.3405 4.8124 4.8124 4.8316 4.8316 4.8316 4.8316 8.6987 8.6987 11.2579 11.2579 11.3318 11.3318 11.3318 11.3318 k = 0.0000 0.0000 0.0000 ( 3383 PWs) bands (ev): -29.0045 -29.0045 -17.4190 -17.4190 -13.3632 -13.3632 -13.3440 -13.3440 -13.3440 -13.3440 -11.7093 -11.7093 -10.5561 -10.5561 -10.5561 -10.5561 -4.9561 -4.9561 -1.0607 -1.0607 -1.0313 -1.0313 -1.0313 -1.0313 1.6229 1.6229 1.6229 1.6229 3.2998 3.2998 3.3404 3.3404 3.3405 3.3405 4.8124 4.8124 4.8316 4.8316 4.8316 4.8316 8.6987 8.6987 11.2579 11.2579 11.3318 11.3318 11.3318 11.3318 k = 0.0128 0.0074 0.0052 ( 3383 PWs) bands (ev): -29.0045 -29.0045 -17.4188 -17.4188 -13.3634 -13.3634 -13.3443 -13.3443 -13.3440 -13.3440 -11.7094 -11.7094 -10.5562 -10.5562 -10.5561 -10.5561 -4.9546 -4.9546 -1.0603 -1.0603 -1.0312 -1.0312 -1.0308 -1.0307 1.6233 1.6234 1.6234 1.6235 3.2984 3.2984 3.3382 3.3382 3.3401 3.3401 4.8113 4.8113 4.8299 4.8300 4.8311 4.8311 8.7017 8.7017 11.2553 11.2553 11.3325 11.3331 11.3347 11.3347 k = 0.0256 0.0148 0.0105 ( 3383 PWs) bands (ev): -29.0045 -29.0045 -17.4185 -17.4185 -13.3640 -13.3640 -13.3454 -13.3454 -13.3441 -13.3441 -11.7094 -11.7094 -10.5563 -10.5563 -10.5561 -10.5561 -4.9501 -4.9501 -1.0594 -1.0594 -1.0309 -1.0309 -1.0291 -1.0290 1.6248 1.6249 1.6249 1.6251 3.2937 3.2937 3.3320 3.3320 3.3389 3.3390 4.8077 4.8077 4.8251 4.8253 4.8299 4.8299 8.7105 8.7105 11.2481 11.2481 11.3352 11.3365 11.3415 11.3415 k = 0.0385 0.0222 0.0157 ( 3377 PWs) bands (ev): -29.0045 -29.0045 -17.4178 -17.4178 -13.3650 -13.3650 -13.3469 -13.3469 -13.3442 -13.3441 -11.7095 -11.7095 -10.5564 -10.5564 -10.5562 -10.5562 -4.9427 -4.9427 -1.0580 -1.0580 -1.0302 -1.0302 -1.0263 -1.0262 1.6273 1.6273 1.6273 1.6278 3.2838 3.2838 3.3238 3.3238 3.3370 3.3371 4.8012 4.8012 4.8172 4.8175 4.8287 4.8287 8.7251 8.7251 11.2379 11.2379 11.3398 11.3418 11.3490 11.3490 k = 0.0513 0.0296 0.0209 ( 3380 PWs) bands (ev): -29.0044 -29.0044 -17.4169 -17.4169 -13.3668 -13.3668 -13.3488 -13.3488 -13.3443 -13.3443 -11.7096 -11.7096 -10.5566 -10.5566 -10.5562 -10.5562 -4.9323 -4.9323 -1.0564 -1.0564 -1.0289 -1.0289 -1.0225 -1.0223 1.6308 1.6308 1.6308 1.6314 3.2663 3.2663 3.3161 3.3161 3.3343 3.3344 4.7912 4.7912 4.8062 4.8065 4.8279 4.8279 8.7455 8.7455 11.2255 11.2255 11.3464 11.3490 11.3569 11.3569 k = 0.0641 0.0370 0.0262 ( 3368 PWs) bands (ev): -29.0044 -29.0044 -17.4158 -17.4158 -13.3695 -13.3695 -13.3507 -13.3507 -13.3444 -13.3444 -11.7097 -11.7097 -10.5569 -10.5569 -10.5562 -10.5562 -4.9191 -4.9191 -1.0550 -1.0550 -1.0266 -1.0266 -1.0175 -1.0173 1.6352 1.6352 1.6354 1.6362 3.2409 3.2409 3.3095 3.3095 3.3308 3.3310 4.7780 4.7780 4.7923 4.7927 4.8274 4.8274 8.7715 8.7715 11.2113 11.2113 11.3547 11.3581 11.3662 11.3662 k = 0.0769 0.0444 0.0314 ( 3380 PWs) bands (ev): -29.0044 -29.0044 -17.4145 -17.4145 -13.3735 -13.3735 -13.3524 -13.3524 -13.3446 -13.3446 -11.7098 -11.7098 -10.5572 -10.5572 -10.5562 -10.5562 -4.9031 -4.9031 -1.0541 -1.0541 -1.0229 -1.0229 -1.0115 -1.0113 1.6406 1.6406 1.6409 1.6419 3.2083 3.2083 3.3034 3.3034 3.3264 3.3267 4.7618 4.7618 4.7755 4.7760 4.8271 4.8271 8.8028 8.8028 11.1953 11.1953 11.3649 11.3689 11.3770 11.3770 k = 0.0897 0.0518 0.0366 ( 3374 PWs) bands (ev): -29.0043 -29.0043 -17.4129 -17.4129 -13.3787 -13.3787 -13.3538 -13.3538 -13.3448 -13.3448 -11.7100 -11.7100 -10.5576 -10.5576 -10.5563 -10.5563 -4.8843 -4.8843 -1.0540 -1.0540 -1.0177 -1.0177 -1.0045 -1.0042 1.6469 1.6469 1.6475 1.6486 3.1695 3.1695 3.2972 3.2972 3.3213 3.3215 4.7427 4.7427 4.7561 4.7566 4.8271 4.8271 8.8393 8.8393 11.1777 11.1777 11.3766 11.3814 11.3893 11.3893 k = 0.1026 0.0592 0.0419 ( 3374 PWs) bands (ev): -29.0043 -29.0043 -17.4110 -17.4110 -13.3850 -13.3850 -13.3548 -13.3548 -13.3450 -13.3450 -11.7102 -11.7102 -10.5581 -10.5581 -10.5563 -10.5563 -4.8629 -4.8629 -1.0546 -1.0546 -1.0110 -1.0110 -0.9965 -0.9961 1.6543 1.6543 1.6551 1.6564 3.1252 3.1252 3.2905 3.2905 3.3152 3.3155 4.7210 4.7210 4.7342 4.7348 4.8272 4.8272 8.8807 8.8807 11.1584 11.1584 11.3900 11.3955 11.4032 11.4032 k = 0.1154 0.0666 0.0471 ( 3374 PWs) bands (ev): -29.0042 -29.0042 -17.4090 -17.4090 -13.3925 -13.3925 -13.3557 -13.3557 -13.3453 -13.3453 -11.7104 -11.7104 -10.5586 -10.5586 -10.5564 -10.5564 -4.8389 -4.8389 -1.0559 -1.0559 -1.0029 -1.0029 -0.9875 -0.9871 1.6626 1.6626 1.6637 1.6651 3.0759 3.0759 3.2831 3.2831 3.3082 3.3086 4.6970 4.6970 4.7099 4.7106 4.8274 4.8274 8.9269 8.9269 11.1375 11.1375 11.4047 11.4110 11.4184 11.4184 k = 0.1282 0.0740 0.0523 ( 3371 PWs) bands (ev): -29.0041 -29.0041 -17.4068 -17.4068 -13.4009 -13.4009 -13.3563 -13.3563 -13.3456 -13.3456 -11.7106 -11.7106 -10.5591 -10.5591 -10.5564 -10.5564 -4.8124 -4.8124 -1.0576 -1.0576 -0.9936 -0.9936 -0.9776 -0.9772 1.6718 1.6718 1.6733 1.6748 3.0221 3.0221 3.2749 3.2749 3.3002 3.3006 4.6708 4.6708 4.6836 4.6844 4.8276 4.8276 8.9774 8.9774 11.1152 11.1152 11.4206 11.4278 11.4349 11.4349 k = 0.1410 0.0814 0.0576 ( 3371 PWs) bands (ev): -29.0041 -29.0041 -17.4044 -17.4044 -13.4101 -13.4101 -13.3569 -13.3569 -13.3459 -13.3459 -11.7109 -11.7109 -10.5597 -10.5597 -10.5565 -10.5565 -4.7837 -4.7837 -1.0596 -1.0596 -0.9833 -0.9833 -0.9668 -0.9664 1.6820 1.6820 1.6839 1.6856 2.9641 2.9641 3.2658 3.2658 3.2912 3.2917 4.6428 4.6428 4.6555 4.6563 4.8279 4.8279 9.0320 9.0320 11.0917 11.0917 11.4377 11.4457 11.4524 11.4524 k = 0.1538 0.0888 0.0628 ( 3359 PWs) bands (ev): -29.0040 -29.0040 -17.4018 -17.4018 -13.4199 -13.4199 -13.3574 -13.3574 -13.3462 -13.3462 -11.7112 -11.7112 -10.5603 -10.5603 -10.5565 -10.5565 -4.7527 -4.7527 -1.0619 -1.0619 -0.9720 -0.9720 -0.9552 -0.9548 1.6931 1.6931 1.6954 1.6973 2.9026 2.9026 3.2556 3.2556 3.2811 3.2817 4.6131 4.6131 4.6257 4.6266 4.8282 4.8282 9.0904 9.0904 11.0672 11.0672 11.4558 11.4647 11.4710 11.4710 k = 0.1667 0.0962 0.0680 ( 3353 PWs) bands (ev): -29.0039 -29.0039 -17.3991 -17.3991 -13.4305 -13.4305 -13.3578 -13.3578 -13.3465 -13.3465 -11.7114 -11.7114 -10.5610 -10.5610 -10.5566 -10.5566 -4.7197 -4.7197 -1.0645 -1.0645 -0.9598 -0.9598 -0.9429 -0.9424 1.7052 1.7052 1.7080 1.7099 2.8380 2.8380 3.2444 3.2444 3.2698 3.2705 4.5821 4.5821 4.5946 4.5955 4.8286 4.8286 9.1521 9.1521 11.0419 11.0419 11.4747 11.4845 11.4904 11.4904 k = 0.1795 0.1036 0.0733 ( 3359 PWs) bands (ev): -29.0038 -29.0038 -17.3962 -17.3962 -13.4415 -13.4415 -13.3583 -13.3583 -13.3469 -13.3469 -11.7118 -11.7118 -10.5617 -10.5617 -10.5566 -10.5566 -4.6849 -4.6849 -1.0672 -1.0672 -0.9469 -0.9469 -0.9298 -0.9293 1.7182 1.7182 1.7214 1.7236 2.7706 2.7706 3.2320 3.2320 3.2574 3.2581 4.5501 4.5501 4.5625 4.5634 4.8290 4.8290 9.2168 9.2168 11.0162 11.0162 11.4943 11.5050 11.5105 11.5105 k = 0.1923 0.1110 0.0785 ( 3353 PWs) bands (ev): -29.0037 -29.0037 -17.3932 -17.3932 -13.4530 -13.4530 -13.3587 -13.3587 -13.3473 -13.3473 -11.7121 -11.7121 -10.5624 -10.5624 -10.5567 -10.5567 -4.6484 -4.6484 -1.0700 -1.0700 -0.9333 -0.9333 -0.9162 -0.9157 1.7321 1.7321 1.7359 1.7381 2.7010 2.7010 3.2183 3.2183 3.2437 3.2445 4.5172 4.5172 4.5296 4.5305 4.8295 4.8295 9.2841 9.2841 10.9906 10.9906 11.5145 11.5261 11.5311 11.5311 k = 0.2051 0.1184 0.0837 ( 3359 PWs) bands (ev): -29.0037 -29.0037 -17.3901 -17.3901 -13.4648 -13.4648 -13.3591 -13.3591 -13.3477 -13.3477 -11.7124 -11.7124 -10.5631 -10.5631 -10.5567 -10.5567 -4.6103 -4.6103 -1.0729 -1.0729 -0.9191 -0.9191 -0.9020 -0.9014 1.7469 1.7469 1.7512 1.7536 2.6296 2.6296 3.2034 3.2034 3.2286 3.2295 4.4838 4.4838 4.4962 4.4971 4.8299 4.8299 9.3535 9.3535 10.9654 10.9654 11.5351 11.5477 11.5521 11.5521 k = 0.2179 0.1258 0.0890 ( 3374 PWs) bands (ev): -29.0036 -29.0036 -17.3869 -17.3869 -13.4770 -13.4770 -13.3595 -13.3595 -13.3481 -13.3481 -11.7127 -11.7127 -10.5639 -10.5639 -10.5568 -10.5568 -4.5710 -4.5710 -1.0758 -1.0758 -0.9044 -0.9044 -0.8874 -0.8868 1.7626 1.7626 1.7675 1.7700 2.5567 2.5567 3.1872 3.1872 3.2122 3.2132 4.4501 4.4501 4.4625 4.4635 4.8304 4.8304 9.4243 9.4243 10.9412 10.9412 11.5560 11.5696 11.5734 11.5734 k = 0.2308 0.1332 0.0942 ( 3368 PWs) bands (ev): -29.0035 -29.0035 -17.3836 -17.3836 -13.4893 -13.4893 -13.3598 -13.3598 -13.3485 -13.3485 -11.7131 -11.7131 -10.5646 -10.5646 -10.5568 -10.5568 -4.5305 -4.5305 -1.0787 -1.0787 -0.8893 -0.8893 -0.8723 -0.8717 1.7792 1.7792 1.7847 1.7873 2.4830 2.4830 3.1695 3.1695 3.1943 3.1954 4.4166 4.4166 4.4290 4.4299 4.8309 4.8309 9.4960 9.4960 10.9186 10.9186 11.5771 11.5917 11.5948 11.5948 k = 0.2436 0.1406 0.0994 ( 3368 PWs) bands (ev): -29.0034 -29.0034 -17.3803 -17.3803 -13.5017 -13.5017 -13.3602 -13.3602 -13.3489 -13.3489 -11.7134 -11.7134 -10.5654 -10.5654 -10.5568 -10.5568 -4.4892 -4.4892 -1.0816 -1.0816 -0.8739 -0.8739 -0.8570 -0.8564 1.7967 1.7967 1.8028 1.8055 2.4087 2.4087 3.1505 3.1505 3.1750 3.1762 4.3833 4.3833 4.3958 4.3967 4.8313 4.8313 9.5678 9.5678 10.8985 10.8985 11.5982 11.6138 11.6162 11.6162 k = 0.2564 0.1480 0.1047 ( 3371 PWs) bands (ev): -29.0033 -29.0033 -17.3770 -17.3770 -13.5141 -13.5141 -13.3606 -13.3606 -13.3493 -13.3493 -11.7138 -11.7138 -10.5662 -10.5662 -10.5569 -10.5569 -4.4472 -4.4472 -1.0844 -1.0844 -0.8583 -0.8583 -0.8415 -0.8408 1.8150 1.8150 1.8218 1.8246 2.3343 2.3343 3.1299 3.1299 3.1542 3.1555 4.3506 4.3506 4.3631 4.3640 4.8318 4.8318 9.6387 9.6387 10.8815 10.8815 11.6193 11.6359 11.6375 11.6375 k = 0.2692 0.1554 0.1099 ( 3365 PWs) bands (ev): -29.0032 -29.0032 -17.3737 -17.3737 -13.5265 -13.5265 -13.3609 -13.3609 -13.3497 -13.3497 -11.7141 -11.7141 -10.5670 -10.5670 -10.5569 -10.5569 -4.4049 -4.4049 -1.0872 -1.0872 -0.8425 -0.8425 -0.8258 -0.8252 1.8341 1.8341 1.8416 1.8445 2.2603 2.2603 3.1080 3.1080 3.1319 3.1333 4.3188 4.3188 4.3314 4.3323 4.8323 4.8323 9.7077 9.7077 10.8688 10.8688 11.6403 11.6579 11.6587 11.6587 k = 0.2821 0.1628 0.1151 ( 3362 PWs) bands (ev): -29.0031 -29.0031 -17.3703 -17.3703 -13.5387 -13.5387 -13.3613 -13.3613 -13.3501 -13.3501 -11.7145 -11.7145 -10.5678 -10.5678 -10.5569 -10.5569 -4.3624 -4.3624 -1.0898 -1.0898 -0.8268 -0.8268 -0.8102 -0.8096 1.8541 1.8541 1.8622 1.8652 2.1871 2.1871 3.0845 3.0845 3.1081 3.1096 4.2880 4.2880 4.3007 4.3015 4.8328 4.8328 9.7736 9.7736 10.8615 10.8615 11.6611 11.6795 11.6795 11.6796 k = 0.2949 0.1702 0.1204 ( 3371 PWs) bands (ev): -29.0030 -29.0030 -17.3671 -17.3671 -13.5507 -13.5507 -13.3616 -13.3616 -13.3505 -13.3505 -11.7148 -11.7148 -10.5685 -10.5685 -10.5570 -10.5570 -4.3201 -4.3201 -1.0923 -1.0923 -0.8112 -0.8112 -0.7947 -0.7940 1.8748 1.8748 1.8836 1.8867 2.1150 2.1150 3.0597 3.0597 3.0829 3.0845 4.2584 4.2584 4.2712 4.2720 4.8333 4.8333 9.8351 9.8351 10.8608 10.8608 11.6815 11.6999 11.6999 11.7009 k = 0.3077 0.1776 0.1256 ( 3368 PWs) bands (ev): -29.0030 -29.0030 -17.3639 -17.3639 -13.5624 -13.5624 -13.3619 -13.3619 -13.3509 -13.3509 -11.7152 -11.7152 -10.5693 -10.5693 -10.5570 -10.5570 -4.2782 -4.2782 -1.0947 -1.0947 -0.7957 -0.7957 -0.7793 -0.7787 1.8962 1.8962 1.9058 1.9089 2.0445 2.0445 3.0335 3.0335 3.0563 3.0580 4.2303 4.2303 4.2432 4.2440 4.8338 4.8338 9.8907 9.8907 10.8679 10.8679 11.7016 11.7198 11.7198 11.7217 k = 0.3205 0.1850 0.1308 ( 3368 PWs) bands (ev): -29.0029 -29.0029 -17.3607 -17.3607 -13.5738 -13.5738 -13.3622 -13.3622 -13.3513 -13.3513 -11.7155 -11.7155 -10.5700 -10.5700 -10.5570 -10.5570 -4.2370 -4.2370 -1.0970 -1.0970 -0.7806 -0.7806 -0.7643 -0.7637 1.9183 1.9183 1.9286 1.9318 1.9760 1.9760 3.0061 3.0061 3.0284 3.0303 4.2037 4.2037 4.2168 4.2175 4.8342 4.8342 9.9391 9.9391 10.8838 10.8838 11.7212 11.7392 11.7392 11.7421 k = 0.3333 0.1925 0.1361 ( 3386 PWs) bands (ev): -29.0028 -29.0028 -17.3577 -17.3577 -13.5847 -13.5847 -13.3625 -13.3625 -13.3516 -13.3516 -11.7158 -11.7158 -10.5707 -10.5707 -10.5571 -10.5571 -4.1968 -4.1968 -1.0990 -1.0990 -0.7660 -0.7660 -0.7498 -0.7492 1.9096 1.9096 1.9413 1.9413 1.9521 1.9554 2.9776 2.9776 2.9994 3.0014 4.1789 4.1789 4.1921 4.1928 4.8346 4.8346 9.9794 9.9794 10.9092 10.9092 11.7403 11.7579 11.7579 11.7617 k = 0.3462 0.1999 0.1413 ( 3374 PWs) bands (ev): -29.0027 -29.0027 -17.3548 -17.3548 -13.5951 -13.5951 -13.3628 -13.3628 -13.3520 -13.3520 -11.7161 -11.7161 -10.5713 -10.5713 -10.5571 -10.5571 -4.1579 -4.1579 -1.1009 -1.1009 -0.7518 -0.7518 -0.7357 -0.7352 1.8464 1.8464 1.9645 1.9645 1.9762 1.9794 2.9482 2.9482 2.9695 2.9716 4.1558 4.1558 4.1692 4.1698 4.8351 4.8351 10.0115 10.0115 10.9440 10.9440 11.7588 11.7759 11.7759 11.7806 k = 0.3590 0.2073 0.1466 ( 3368 PWs) bands (ev): -29.0026 -29.0026 -17.3521 -17.3521 -13.6049 -13.6049 -13.3631 -13.3631 -13.3523 -13.3523 -11.7164 -11.7164 -10.5720 -10.5720 -10.5571 -10.5571 -4.1207 -4.1207 -1.1026 -1.1026 -0.7383 -0.7383 -0.7223 -0.7218 1.7864 1.7864 1.9881 1.9881 2.0006 2.0039 2.9182 2.9182 2.9389 2.9411 4.1345 4.1345 4.1481 4.1487 4.8355 4.8355 10.0354 10.0354 10.9874 10.9874 11.7766 11.7930 11.7930 11.7987 k = 0.3718 0.2147 0.1518 ( 3359 PWs) bands (ev): -29.0026 -29.0026 -17.3495 -17.3495 -13.6141 -13.6141 -13.3633 -13.3633 -13.3526 -13.3526 -11.7167 -11.7167 -10.5725 -10.5725 -10.5571 -10.5571 -4.0853 -4.0853 -1.1041 -1.1041 -0.7256 -0.7256 -0.7097 -0.7092 1.7299 1.7299 2.0121 2.0121 2.0254 2.0286 2.8878 2.8878 2.9079 2.9102 4.1152 4.1152 4.1289 4.1294 4.8359 4.8359 10.0523 10.0523 11.0378 11.0378 11.7937 11.8092 11.8092 11.8158 k = 0.3846 0.2221 0.1570 ( 3365 PWs) bands (ev): -29.0025 -29.0025 -17.3471 -17.3471 -13.6226 -13.6226 -13.3635 -13.3635 -13.3529 -13.3529 -11.7169 -11.7169 -10.5731 -10.5731 -10.5571 -10.5571 -4.0522 -4.0522 -1.1054 -1.1054 -0.7137 -0.7137 -0.6979 -0.6974 1.6774 1.6774 2.0361 2.0361 2.0502 2.0534 2.8573 2.8573 2.8768 2.8791 4.0977 4.0977 4.1116 4.1121 4.8362 4.8362 10.0631 10.0631 11.0934 11.0934 11.8100 11.8244 11.8244 11.8318 k = 0.3974 0.2295 0.1623 ( 3368 PWs) bands (ev): -29.0024 -29.0024 -17.3449 -17.3449 -13.6303 -13.6303 -13.3637 -13.3637 -13.3532 -13.3532 -11.7172 -11.7172 -10.5736 -10.5736 -10.5571 -10.5571 -4.0217 -4.0217 -1.1066 -1.1066 -0.7027 -0.7027 -0.6870 -0.6866 1.6293 1.6293 2.0600 2.0600 2.0750 2.0780 2.8271 2.8271 2.8461 2.8483 4.0822 4.0822 4.0962 4.0966 4.8365 4.8365 10.0694 10.0694 11.1520 11.1520 11.8254 11.8385 11.8385 11.8466 k = 0.4103 0.2369 0.1675 ( 3368 PWs) bands (ev): -29.0024 -29.0024 -17.3429 -17.3429 -13.6373 -13.6373 -13.3639 -13.3639 -13.3534 -13.3534 -11.7174 -11.7174 -10.5740 -10.5740 -10.5571 -10.5571 -3.9939 -3.9939 -1.1076 -1.1076 -0.6929 -0.6929 -0.6772 -0.6768 1.5858 1.5858 2.0834 2.0834 2.0992 2.1022 2.7977 2.7977 2.8161 2.8183 4.0685 4.0685 4.0827 4.0831 4.8368 4.8368 10.0723 10.0723 11.2113 11.2113 11.8398 11.8514 11.8514 11.8600 k = 0.4231 0.2443 0.1727 ( 3359 PWs) bands (ev): -29.0023 -29.0023 -17.3412 -17.3412 -13.6434 -13.6434 -13.3641 -13.3641 -13.3536 -13.3536 -11.7175 -11.7175 -10.5744 -10.5744 -10.5571 -10.5571 -3.9693 -3.9693 -1.1084 -1.1084 -0.6841 -0.6841 -0.6685 -0.6682 1.5475 1.5475 2.1059 2.1059 2.1226 2.1254 2.7697 2.7697 2.7875 2.7896 4.0568 4.0568 4.0711 4.0714 4.8371 4.8371 10.0729 10.0729 11.2690 11.2690 11.8531 11.8629 11.8630 11.8718 k = 0.4359 0.2517 0.1780 ( 3359 PWs) bands (ev): -29.0023 -29.0023 -17.3397 -17.3397 -13.6486 -13.6486 -13.3642 -13.3642 -13.3538 -13.3538 -11.7177 -11.7177 -10.5748 -10.5748 -10.5571 -10.5571 -3.9479 -3.9479 -1.1091 -1.1091 -0.6766 -0.6766 -0.6610 -0.6607 1.5144 1.5144 2.1270 2.1270 2.1446 2.1471 2.7437 2.7437 2.7609 2.7629 4.0469 4.0469 4.0613 4.0616 4.8373 4.8373 10.0722 10.0722 11.3229 11.3229 11.8651 11.8730 11.8731 11.8819 k = 0.4487 0.2591 0.1832 ( 3365 PWs) bands (ev): -29.0023 -29.0023 -17.3384 -17.3384 -13.6529 -13.6529 -13.3643 -13.3643 -13.3539 -13.3539 -11.7178 -11.7178 -10.5750 -10.5750 -10.5571 -10.5571 -3.9302 -3.9302 -1.1096 -1.1096 -0.6703 -0.6703 -0.6548 -0.6545 1.4870 1.4870 2.1461 2.1461 2.1645 2.1667 2.7205 2.7205 2.7372 2.7389 4.0388 4.0388 4.0534 4.0536 4.8375 4.8375 10.0707 10.0707 11.3708 11.3708 11.8757 11.8816 11.8816 11.8901 k = 0.4615 0.2665 0.1884 ( 3359 PWs) bands (ev): -29.0022 -29.0022 -17.3375 -17.3375 -13.6563 -13.6563 -13.3644 -13.3644 -13.3540 -13.3540 -11.7179 -11.7179 -10.5753 -10.5753 -10.5571 -10.5571 -3.9161 -3.9161 -1.1100 -1.1100 -0.6654 -0.6654 -0.6498 -0.6497 1.4654 1.4654 2.1622 2.1622 2.1815 2.1833 2.7009 2.7009 2.7172 2.7187 4.0326 4.0326 4.0472 4.0474 4.8376 4.8376 10.0690 10.0690 11.4107 11.4107 11.8848 11.8884 11.8884 11.8961 k = 0.4744 0.2739 0.1937 ( 3347 PWs) bands (ev): -29.0022 -29.0022 -17.3367 -17.3367 -13.6588 -13.6588 -13.3645 -13.3645 -13.3541 -13.3541 -11.7180 -11.7180 -10.5754 -10.5754 -10.5571 -10.5571 -3.9060 -3.9060 -1.1102 -1.1102 -0.6618 -0.6618 -0.6463 -0.6462 1.4499 1.4499 2.1747 2.1747 2.1948 2.1960 2.6860 2.6860 2.7020 2.7031 4.0281 4.0281 4.0429 4.0430 4.8377 4.8377 10.0676 10.0676 11.4407 11.4407 11.8920 11.8933 11.8933 11.8999 k = 0.4872 0.2813 0.1989 ( 3353 PWs) bands (ev): -29.0022 -29.0022 -17.3363 -17.3363 -13.6602 -13.6602 -13.3645 -13.3645 -13.3541 -13.3541 -11.7180 -11.7180 -10.5755 -10.5755 -10.5571 -10.5571 -3.8999 -3.8999 -1.1104 -1.1104 -0.6597 -0.6597 -0.6441 -0.6441 1.4405 1.4405 2.1826 2.1826 2.2033 2.2039 2.6766 2.6766 2.6926 2.6931 4.0255 4.0255 4.0403 4.0403 4.8378 4.8378 10.0666 10.0666 11.4594 11.4594 11.8963 11.8963 11.8973 11.9014 k = 0.5000 0.2887 0.2041 ( 3354 PWs) bands (ev): -29.0022 -29.0022 -17.3362 -17.3362 -13.6607 -13.6607 -13.3646 -13.3646 -13.3542 -13.3542 -11.7181 -11.7181 -10.5755 -10.5755 -10.5571 -10.5571 -3.8978 -3.8978 -1.1105 -1.1105 -0.6589 -0.6589 -0.6434 -0.6434 1.4374 1.4374 2.1853 2.1853 2.2064 2.2064 2.6734 2.6734 2.6895 2.6895 4.0246 4.0246 4.0394 4.0394 4.8378 4.8378 10.0663 10.0663 11.4657 11.4657 11.8974 11.8974 11.9005 11.9005 k = 0.5000 0.2887 0.2041 ( 3354 PWs) bands (ev): -29.0022 -29.0022 -17.3362 -17.3362 -13.6607 -13.6607 -13.3646 -13.3646 -13.3542 -13.3542 -11.7181 -11.7181 -10.5755 -10.5755 -10.5571 -10.5571 -3.8978 -3.8978 -1.1105 -1.1105 -0.6589 -0.6589 -0.6434 -0.6434 1.4374 1.4374 2.1853 2.1853 2.2064 2.2064 2.6734 2.6734 2.6895 2.6895 4.0246 4.0246 4.0394 4.0394 4.8378 4.8378 10.0663 10.0663 11.4657 11.4657 11.8974 11.8974 11.9005 11.9005 k = 0.5046 0.2753 0.2117 ( 3352 PWs) bands (ev): -29.0022 -29.0022 -17.3361 -17.3361 -13.6612 -13.6610 -13.3652 -13.3641 -13.3543 -13.3543 -11.7196 -11.7162 -10.5755 -10.5755 -10.5584 -10.5555 -3.8967 -3.8966 -1.1142 -1.1118 -0.6589 -0.6567 -0.6422 -0.6422 1.4371 1.4373 2.1847 2.1853 2.2061 2.2061 2.6740 2.6741 2.6901 2.6901 4.0235 4.0236 4.0384 4.0384 4.8364 4.8365 10.0665 10.0672 11.4639 11.4674 11.8982 11.8988 11.9015 11.9017 k = 0.5093 0.2619 0.2192 ( 3340 PWs) bands (ev): -29.0022 -29.0022 -17.3357 -17.3357 -13.6623 -13.6621 -13.3659 -13.3638 -13.3546 -13.3546 -11.7209 -11.7141 -10.5754 -10.5754 -10.5593 -10.5535 -3.8932 -3.8929 -1.1228 -1.1181 -0.6566 -0.6526 -0.6388 -0.6382 1.4366 1.4369 2.1836 2.1847 2.2052 2.2053 2.6757 2.6759 2.6919 2.6919 4.0201 4.0201 4.0360 4.0360 4.8323 4.8325 10.0678 10.0693 11.4622 11.4690 11.9007 11.9012 11.9053 11.9064 k = 0.5139 0.2486 0.2268 ( 3348 PWs) bands (ev): -29.0022 -29.0022 -17.3351 -17.3351 -13.6642 -13.6638 -13.3669 -13.3638 -13.3552 -13.3551 -11.7219 -11.7117 -10.5753 -10.5752 -10.5597 -10.5513 -3.8873 -3.8870 -1.1358 -1.1291 -0.6523 -0.6477 -0.6330 -0.6311 1.4358 1.4361 2.1819 2.1835 2.2039 2.2039 2.6786 2.6789 2.6947 2.6948 4.0132 4.0133 4.0330 4.0331 4.8255 4.8258 10.0703 10.0725 11.4607 11.4706 11.9037 11.9039 11.9123 11.9143 k = 0.5185 0.2352 0.2344 ( 3354 PWs) bands (ev): -29.0022 -29.0022 -17.3343 -17.3343 -13.6668 -13.6664 -13.3680 -13.3638 -13.3560 -13.3558 -11.7226 -11.7091 -10.5751 -10.5749 -10.5599 -10.5488 -3.8792 -3.8787 -1.1529 -1.1444 -0.6465 -0.6420 -0.6247 -0.6210 1.4346 1.4351 2.1795 2.1816 2.2022 2.2022 2.6824 2.6828 2.6987 2.6988 4.0027 4.0028 4.0300 4.0303 4.8163 4.8167 10.0739 10.0768 11.4596 11.4725 11.9074 11.9075 11.9213 11.9241 k = 0.5231 0.2219 0.2419 ( 3349 PWs) bands (ev): -29.0022 -29.0022 -17.3333 -17.3333 -13.6701 -13.6696 -13.3692 -13.3641 -13.3570 -13.3566 -11.7230 -11.7063 -10.5749 -10.5745 -10.5596 -10.5460 -3.8687 -3.8681 -1.1734 -1.1634 -0.6397 -0.6356 -0.6141 -0.6086 1.4332 1.4337 2.1764 2.1789 2.2004 2.2004 2.6872 2.6875 2.7036 2.7038 3.9887 3.9889 4.0269 4.0274 4.8046 4.8051 10.0786 10.0823 11.4592 11.4749 11.9118 11.9119 11.9305 11.9341 k = 0.5278 0.2085 0.2495 ( 3351 PWs) bands (ev): -29.0022 -29.0022 -17.3321 -17.3321 -13.6739 -13.6735 -13.3706 -13.3645 -13.3583 -13.3576 -11.7231 -11.7034 -10.5746 -10.5740 -10.5590 -10.5430 -3.8561 -3.8553 -1.1969 -1.1857 -0.6318 -0.6282 -0.6017 -0.5945 1.4314 1.4321 2.1725 2.1753 2.1985 2.1987 2.6925 2.6927 2.7093 2.7098 3.9719 3.9722 4.0235 4.0241 4.7906 4.7912 10.0844 10.0887 11.4597 11.4780 11.9167 11.9169 11.9381 11.9426 k = 0.5324 0.1951 0.2570 ( 3349 PWs) bands (ev): -29.0021 -29.0021 -17.3307 -17.3306 -13.6784 -13.6781 -13.3721 -13.3650 -13.3597 -13.3586 -11.7228 -11.7003 -10.5742 -10.5734 -10.5580 -10.5398 -3.8413 -3.8404 -1.2229 -1.2107 -0.6230 -0.6197 -0.5878 -0.5793 1.4295 1.4302 2.1679 2.1710 2.1967 2.1971 2.6982 2.6982 2.7159 2.7166 3.9527 3.9531 4.0197 4.0204 4.7746 4.7753 10.0912 10.0962 11.4613 11.4819 11.9212 11.9218 11.9427 11.9476 k = 0.5370 0.1818 0.2646 ( 3349 PWs) bands (ev): -29.0021 -29.0021 -17.3291 -17.3290 -13.6834 -13.6833 -13.3736 -13.3657 -13.3613 -13.3598 -11.7223 -11.6971 -10.5738 -10.5726 -10.5568 -10.5365 -3.8245 -3.8235 -1.2510 -1.2380 -0.6132 -0.6102 -0.5729 -0.5634 1.4273 1.4280 2.1628 2.1660 2.1951 2.1956 2.7036 2.7038 2.7233 2.7242 3.9317 3.9322 4.0152 4.0161 4.7567 4.7575 10.0990 10.1047 11.4642 11.4869 11.9227 11.9248 11.9449 11.9491 k = 0.5417 0.1684 0.2722 ( 3341 PWs) bands (ev): -29.0021 -29.0021 -17.3273 -17.3273 -13.6891 -13.6890 -13.3752 -13.3666 -13.3630 -13.3611 -11.7215 -11.6938 -10.5732 -10.5718 -10.5553 -10.5331 -3.8057 -3.8046 -1.2808 -1.2672 -0.6024 -0.5997 -0.5574 -0.5471 1.4248 1.4257 2.1572 2.1606 2.1936 2.1944 2.7087 2.7091 2.7312 2.7325 3.9095 3.9100 4.0101 4.0111 4.7372 4.7382 10.1078 10.1141 11.4683 11.4929 11.9167 11.9214 11.9489 11.9508 k = 0.5463 0.1550 0.2797 ( 3347 PWs) bands (ev): -29.0021 -29.0021 -17.3254 -17.3253 -13.6954 -13.6949 -13.3769 -13.3677 -13.3648 -13.3625 -11.7205 -11.6904 -10.5725 -10.5709 -10.5536 -10.5296 -3.7851 -3.7839 -1.3120 -1.2980 -0.5907 -0.5881 -0.5415 -0.5306 1.4223 1.4231 2.1512 2.1547 2.1922 2.1932 2.7130 2.7137 2.7396 2.7412 3.8865 3.8871 4.0041 4.0052 4.7164 4.7175 10.1176 10.1244 11.4737 11.4999 11.9026 11.9088 11.9556 11.9560 k = 0.5509 0.1417 0.2873 ( 3345 PWs) bands (ev): -29.0020 -29.0020 -17.3233 -17.3233 -13.7021 -13.7013 -13.3785 -13.3691 -13.3664 -13.3639 -11.7192 -11.6871 -10.5717 -10.5699 -10.5518 -10.5261 -3.7628 -3.7616 -1.3444 -1.3300 -0.5782 -0.5757 -0.5254 -0.5140 1.4195 1.4204 2.1451 2.1487 2.1908 2.1920 2.7162 2.7171 2.7484 2.7502 3.8635 3.8642 3.9973 3.9986 4.6947 4.6959 10.1283 10.1357 11.4802 11.5076 11.8827 11.8894 11.9636 11.9640 k = 0.5556 0.1283 0.2948 ( 3351 PWs) bands (ev): -29.0020 -29.0020 -17.3212 -17.3211 -13.7092 -13.7080 -13.3802 -13.3708 -13.3679 -13.3654 -11.7177 -11.6837 -10.5708 -10.5688 -10.5497 -10.5225 -3.7390 -3.7378 -1.3776 -1.3630 -0.5649 -0.5625 -0.5093 -0.4976 1.4167 1.4176 2.1390 2.1427 2.1895 2.1909 2.7180 2.7191 2.7573 2.7593 3.8411 3.8418 3.9896 3.9910 4.6722 4.6736 10.1399 10.1478 11.4876 11.5159 11.8591 11.8654 11.9721 11.9731 k = 0.5602 0.1149 0.3024 ( 3350 PWs) bands (ev): -29.0020 -29.0020 -17.3189 -17.3189 -13.7166 -13.7150 -13.3819 -13.3728 -13.3693 -13.3670 -11.7160 -11.6804 -10.5698 -10.5677 -10.5476 -10.5190 -3.7139 -3.7126 -1.4116 -1.3967 -0.5508 -0.5485 -0.4934 -0.4814 1.4138 1.4147 2.1330 2.1367 2.1881 2.1896 2.7180 2.7193 2.7661 2.7683 3.8199 3.8207 3.9809 3.9824 4.6494 4.6509 10.1524 10.1608 11.4955 11.5241 11.8334 11.8387 11.9810 11.9826 k = 0.5648 0.1016 0.3100 ( 3344 PWs) bands (ev): -29.0019 -29.0019 -17.3166 -17.3165 -13.7242 -13.7221 -13.3835 -13.3750 -13.3706 -13.3686 -11.7141 -11.6772 -10.5687 -10.5664 -10.5454 -10.5155 -3.6877 -3.6863 -1.4459 -1.4310 -0.5362 -0.5338 -0.4777 -0.4656 1.4110 1.4118 2.1272 2.1310 2.1866 2.1882 2.7160 2.7175 2.7747 2.7771 3.8007 3.8016 3.9712 3.9729 4.6266 4.6282 10.1658 10.1746 11.5033 11.5315 11.8069 11.8106 11.9901 11.9921 k = 0.5694 0.0882 0.3175 ( 3342 PWs) bands (ev): -29.0019 -29.0019 -17.3142 -17.3142 -13.7319 -13.7293 -13.3852 -13.3773 -13.3719 -13.3701 -11.7121 -11.6740 -10.5675 -10.5651 -10.5431 -10.5122 -3.6605 -3.6592 -1.4805 -1.4655 -0.5210 -0.5187 -0.4623 -0.4501 1.4082 1.4089 2.1219 2.1257 2.1848 2.1865 2.7117 2.7134 2.7828 2.7853 3.7840 3.7849 3.9605 3.9623 4.6042 4.6059 10.1801 10.1893 11.5103 11.5369 11.7814 11.7824 11.9989 12.0015 k = 0.5741 0.0748 0.3251 ( 3342 PWs) bands (ev): -29.0019 -29.0019 -17.3119 -17.3118 -13.7397 -13.7366 -13.3867 -13.3796 -13.3731 -13.3718 -11.7100 -11.6709 -10.5663 -10.5638 -10.5408 -10.5089 -3.6328 -3.6314 -1.5150 -1.5000 -0.5055 -0.5031 -0.4473 -0.4351 1.4055 1.4062 2.1170 2.1209 2.1825 2.1843 2.7050 2.7069 2.7903 2.7929 3.7704 3.7713 3.9489 3.9508 4.5823 4.5842 10.1951 10.2046 11.5150 11.5386 11.7556 11.7588 12.0074 12.0106 k = 0.5787 0.0615 0.3326 ( 3348 PWs) bands (ev): -29.0018 -29.0018 -17.3095 -17.3094 -13.7474 -13.7438 -13.3883 -13.3819 -13.3744 -13.3734 -11.7078 -11.6680 -10.5649 -10.5624 -10.5385 -10.5058 -3.6047 -3.6033 -1.5493 -1.5342 -0.4897 -0.4873 -0.4328 -0.4206 1.4030 1.4036 2.1127 2.1167 2.1797 2.1815 2.6959 2.6980 2.7967 2.7995 3.7603 3.7612 3.9364 3.9383 4.5614 4.5634 10.2109 10.2207 11.5160 11.5348 11.7323 11.7413 12.0153 12.0190 k = 0.5833 0.0481 0.3402 ( 3346 PWs) bands (ev): -29.0018 -29.0018 -17.3072 -17.3071 -13.7549 -13.7509 -13.3897 -13.3841 -13.3757 -13.3749 -11.7055 -11.6651 -10.5636 -10.5610 -10.5361 -10.5029 -3.5765 -3.5751 -1.5830 -1.5680 -0.4739 -0.4713 -0.4187 -0.4066 1.4007 1.4013 2.1091 2.1132 2.1760 2.1778 2.6847 2.6869 2.8021 2.8049 3.7540 3.7549 3.9232 3.9252 4.5416 4.5437 10.2274 10.2374 11.5112 11.5237 11.7145 11.7307 12.0224 12.0267 k = 0.5880 0.0347 0.3478 ( 3346 PWs) bands (ev): -29.0018 -29.0018 -17.3049 -17.3048 -13.7622 -13.7578 -13.3912 -13.3863 -13.3770 -13.3765 -11.7032 -11.6625 -10.5622 -10.5596 -10.5339 -10.5002 -3.5487 -3.5473 -1.6160 -1.6010 -0.4580 -0.4554 -0.4052 -0.3932 1.3988 1.3993 2.1064 2.1106 2.1713 2.1731 2.6716 2.6740 2.8060 2.8090 3.7516 3.7524 3.9094 3.9115 4.5232 4.5254 10.2445 10.2547 11.4993 11.5053 11.7038 11.7273 12.0285 12.0334 k = 0.5926 0.0214 0.3553 ( 3342 PWs) bands (ev): -29.0017 -29.0017 -17.3027 -17.3027 -13.7692 -13.7643 -13.3925 -13.3885 -13.3782 -13.3780 -11.7009 -11.6600 -10.5607 -10.5581 -10.5317 -10.4977 -3.5215 -3.5202 -1.6477 -1.6329 -0.4423 -0.4396 -0.3922 -0.3804 1.3973 1.3977 2.1046 2.1088 2.1653 2.1670 2.6572 2.6597 2.8084 2.8114 3.7531 3.7539 3.8955 3.8976 4.5062 4.5085 10.2620 10.2724 11.4803 11.4812 11.7002 11.7297 12.0334 12.0388 k = 0.5972 0.0080 0.3629 ( 3344 PWs) bands (ev): -29.0017 -29.0017 -17.3006 -17.3006 -13.7758 -13.7705 -13.3939 -13.3905 -13.3795 -13.3794 -11.6986 -11.6577 -10.5593 -10.5567 -10.5296 -10.4954 -3.4955 -3.4942 -1.6781 -1.6634 -0.4270 -0.4241 -0.3799 -0.3684 1.3963 1.3967 2.1037 2.1081 2.1576 2.1593 2.6420 2.6446 2.8089 2.8120 3.7584 3.7592 3.8816 3.8837 4.4908 4.4931 10.2799 10.2904 11.4532 11.4560 11.7022 11.7359 12.0370 12.0430 k = 0.6019-0.0053 0.3704 ( 3344 PWs) bands (ev): -29.0017 -29.0017 -17.2987 -17.2987 -13.7818 -13.7762 -13.3952 -13.3925 -13.3808 -13.3806 -11.6963 -11.6556 -10.5578 -10.5552 -10.5276 -10.4934 -3.4710 -3.4698 -1.7067 -1.6922 -0.4123 -0.4092 -0.3683 -0.3570 1.3960 1.3962 2.1039 2.1085 2.1481 2.1496 2.6269 2.6296 2.8074 2.8106 3.7674 3.7681 3.8683 3.8703 4.4770 4.4793 10.2979 10.3085 11.4233 11.4284 11.7079 11.7444 12.0392 12.0456 k = 0.6065-0.0187 0.3780 ( 3338 PWs) bands (ev): -29.0016 -29.0016 -17.2969 -17.2969 -13.7873 -13.7814 -13.3964 -13.3944 -13.3821 -13.3818 -11.6941 -11.6537 -10.5564 -10.5538 -10.5257 -10.4917 -3.4485 -3.4474 -1.7332 -1.7189 -0.3982 -0.3949 -0.3574 -0.3464 1.3964 1.3965 2.1051 2.1101 2.1367 2.1378 2.6125 2.6152 2.8036 2.8069 3.7796 3.7802 3.8558 3.8577 4.4647 4.4671 10.3159 10.3265 11.3929 11.3994 11.7157 11.7540 12.0399 12.0466 k = 0.6111-0.0321 0.3856 ( 3342 PWs) bands (ev): -29.0016 -29.0016 -17.2954 -17.2953 -13.7921 -13.7859 -13.3976 -13.3962 -13.3833 -13.3828 -11.6919 -11.6521 -10.5550 -10.5524 -10.5240 -10.4903 -3.4285 -3.4274 -1.7572 -1.7431 -0.3849 -0.3814 -0.3472 -0.3367 1.3976 1.3976 2.1065 2.1129 2.1240 2.1241 2.5994 2.6021 2.7975 2.8009 3.7948 3.7952 3.8446 3.8463 4.4539 4.4563 10.3335 10.3441 11.3629 11.3703 11.7243 11.7637 12.0389 12.0459 k = 0.6157-0.0454 0.3931 ( 3338 PWs) bands (ev): -29.0016 -29.0016 -17.2940 -17.2939 -13.7962 -13.7898 -13.3987 -13.3978 -13.3844 -13.3838 -11.6899 -11.6506 -10.5536 -10.5510 -10.5225 -10.4892 -3.4114 -3.4104 -1.7784 -1.7645 -0.3727 -0.3689 -0.3379 -0.3279 1.3997 1.3997 2.1015 2.1070 2.1169 2.1178 2.5882 2.5909 2.7890 2.7924 3.8122 3.8126 3.8357 3.8366 4.4446 4.4470 10.3505 10.3611 11.3343 11.3421 11.7330 11.7729 12.0364 12.0435 k = 0.6204-0.0588 0.4007 ( 3344 PWs) bands (ev): -29.0016 -29.0016 -17.2928 -17.2928 -13.7995 -13.7929 -13.3998 -13.3993 -13.3854 -13.3848 -11.6879 -11.6494 -10.5522 -10.5496 -10.5211 -10.4884 -3.3978 -3.3968 -1.7963 -1.7827 -0.3617 -0.3576 -0.3296 -0.3201 1.4028 1.4029 2.0852 2.0887 2.1203 2.1232 2.5793 2.5819 2.7780 2.7815 3.8229 3.8270 3.8345 3.8373 4.4366 4.4389 10.3665 10.3769 11.3077 11.3158 11.7412 11.7813 12.0321 12.0394 k = 0.6250-0.0722 0.4082 ( 3352 PWs) bands (ev): -29.0016 -29.0016 -17.2919 -17.2919 -13.8019 -13.7953 -13.4008 -13.4007 -13.3862 -13.3856 -11.6861 -11.6484 -10.5509 -10.5483 -10.5200 -10.4879 -3.3880 -3.3871 -1.8108 -1.7975 -0.3521 -0.3476 -0.3223 -0.3134 1.4071 1.4073 2.0655 2.0685 2.1268 2.1301 2.5728 2.5753 2.7646 2.7681 3.8194 3.8222 3.8556 3.8573 4.4298 4.4321 10.3810 10.3914 11.2839 11.2920 11.7486 11.7885 12.0263 12.0336 k = 0.6250-0.0722 0.4082 ( 3352 PWs) bands (ev): -29.0016 -29.0016 -17.2919 -17.2919 -13.8019 -13.7953 -13.4008 -13.4007 -13.3862 -13.3856 -11.6861 -11.6484 -10.5509 -10.5483 -10.5200 -10.4879 -3.3880 -3.3871 -1.8108 -1.7975 -0.3521 -0.3476 -0.3223 -0.3134 1.4071 1.4073 2.0655 2.0685 2.1268 2.1301 2.5728 2.5753 2.7646 2.7681 3.8194 3.8222 3.8556 3.8573 4.4298 4.4321 10.3810 10.3914 11.2839 11.2920 11.7486 11.7885 12.0263 12.0336 k = 0.6172-0.0677 0.4210 ( 3340 PWs) bands (ev): -29.0016 -29.0016 -17.2919 -17.2918 -13.8020 -13.7953 -13.4011 -13.4010 -13.3859 -13.3853 -11.6861 -11.6484 -10.5512 -10.5480 -10.5201 -10.4877 -3.3874 -3.3865 -1.8113 -1.7980 -0.3557 -0.3491 -0.3197 -0.3105 1.4068 1.4070 2.0654 2.0686 2.1278 2.1311 2.5695 2.5720 2.7675 2.7710 3.8168 3.8214 3.8571 3.8612 4.4276 4.4299 10.3815 10.3918 11.2831 11.2918 11.7496 11.7895 12.0259 12.0345 k = 0.6094-0.0631 0.4338 ( 3343 PWs) bands (ev): -29.0016 -29.0016 -17.2918 -17.2918 -13.8025 -13.7956 -13.4021 -13.4017 -13.3851 -13.3843 -11.6862 -11.6484 -10.5518 -10.5473 -10.5206 -10.4872 -3.3856 -3.3847 -1.8127 -1.7993 -0.3630 -0.3542 -0.3131 -0.3040 1.4059 1.4062 2.0655 2.0689 2.1309 2.1340 2.5601 2.5627 2.7756 2.7791 3.8118 3.8181 3.8631 3.8693 4.4211 4.4235 10.3827 10.3929 11.2809 11.2913 11.7526 11.7926 12.0252 12.0367 k = 0.6016-0.0586 0.4465 ( 3347 PWs) bands (ev): -29.0016 -29.0016 -17.2917 -17.2916 -13.8031 -13.7959 -13.4034 -13.4028 -13.3839 -13.3829 -11.6862 -11.6484 -10.5525 -10.5465 -10.5214 -10.4865 -3.3827 -3.3817 -1.8150 -1.8015 -0.3711 -0.3612 -0.3049 -0.2961 1.4045 1.4049 2.0657 2.0694 2.1358 2.1386 2.5460 2.5487 2.7877 2.7910 3.8065 3.8137 3.8723 3.8794 4.4104 4.4128 10.3847 10.3948 11.2775 11.2902 11.7575 11.7977 12.0247 12.0396 k = 0.5938-0.0541 0.4593 ( 3347 PWs) bands (ev): -29.0016 -29.0016 -17.2915 -17.2915 -13.8041 -13.7965 -13.4050 -13.4040 -13.3825 -13.3813 -11.6862 -11.6484 -10.5532 -10.5455 -10.5224 -10.4855 -3.3787 -3.3777 -1.8182 -1.8045 -0.3794 -0.3686 -0.2960 -0.2877 1.4025 1.4030 2.0663 2.0705 2.1422 2.1448 2.5285 2.5313 2.8022 2.8055 3.8017 3.8092 3.8834 3.8910 4.3957 4.3982 10.3874 10.3973 11.2733 11.2884 11.7641 11.8045 12.0246 12.0430 k = 0.5859-0.0496 0.4720 ( 3349 PWs) bands (ev): -29.0016 -29.0016 -17.2913 -17.2913 -13.8052 -13.7971 -13.4066 -13.4052 -13.3809 -13.3796 -11.6863 -11.6484 -10.5539 -10.5446 -10.5236 -10.4844 -3.3737 -3.3728 -1.8221 -1.8082 -0.3875 -0.3760 -0.2871 -0.2793 1.4001 1.4007 2.0676 2.0722 2.1498 2.1523 2.5087 2.5115 2.8182 2.8213 3.7978 3.8054 3.8957 3.9035 4.3772 4.3799 10.3908 10.4003 11.2684 11.2861 11.7723 11.8129 12.0251 12.0467 k = 0.5781-0.0451 0.4848 ( 3345 PWs) bands (ev): -29.0016 -29.0016 -17.2910 -17.2910 -13.8064 -13.7979 -13.4082 -13.4065 -13.3794 -13.3780 -11.6864 -11.6484 -10.5546 -10.5437 -10.5249 -10.4832 -3.3679 -3.3670 -1.8266 -1.8125 -0.3951 -0.3831 -0.2784 -0.2711 1.3974 1.3981 2.0695 2.0745 2.1585 2.1610 2.4875 2.4902 2.8347 2.8377 3.7947 3.8023 3.9090 3.9170 4.3553 4.3582 10.3946 10.4037 11.2630 11.2832 11.7819 11.8226 12.0262 12.0506 k = 0.5703-0.0406 0.4976 ( 3348 PWs) bands (ev): -29.0016 -29.0016 -17.2908 -17.2907 -13.8078 -13.7988 -13.4098 -13.4076 -13.3778 -13.3764 -11.6864 -11.6484 -10.5552 -10.5427 -10.5262 -10.4820 -3.3615 -3.3605 -1.8317 -1.8173 -0.4021 -0.3897 -0.2701 -0.2633 1.3943 1.3951 2.0723 2.0777 2.1680 2.1707 2.4652 2.4678 2.8512 2.8541 3.7927 3.8002 3.9232 3.9311 4.3305 4.3336 10.3987 10.4074 11.2573 11.2799 11.7925 11.8332 12.0279 12.0548 k = 0.5625-0.0361 0.5103 ( 3350 PWs) bands (ev): -29.0016 -29.0016 -17.2905 -17.2904 -13.8093 -13.7998 -13.4112 -13.4087 -13.3764 -13.3749 -11.6865 -11.6484 -10.5558 -10.5418 -10.5275 -10.4807 -3.3546 -3.3536 -1.8371 -1.8225 -0.4085 -0.3957 -0.2623 -0.2561 1.3911 1.3920 2.0759 2.0816 2.1782 2.1812 2.4424 2.4448 2.8672 2.8700 3.7916 3.7990 3.9379 3.9459 4.3031 4.3065 10.4030 10.4112 11.2516 11.2763 11.8038 11.8442 12.0304 12.0591 k = 0.5547-0.0316 0.5231 ( 3346 PWs) bands (ev): -29.0016 -29.0016 -17.2902 -17.2901 -13.8107 -13.8009 -13.4125 -13.4097 -13.3750 -13.3735 -11.6866 -11.6483 -10.5563 -10.5409 -10.5287 -10.4796 -3.3474 -3.3465 -1.8427 -1.8278 -0.4142 -0.4011 -0.2552 -0.2494 1.3878 1.3888 2.0804 2.0862 2.1889 2.1923 2.4194 2.4215 2.8825 2.8852 3.7914 3.7987 3.9533 3.9612 4.2739 4.2777 10.4073 10.4151 11.2460 11.2727 11.8154 11.8554 12.0336 12.0635 k = 0.5469-0.0271 0.5358 ( 3344 PWs) bands (ev): -29.0015 -29.0015 -17.2898 -17.2898 -13.8122 -13.8019 -13.4136 -13.4106 -13.3738 -13.3724 -11.6867 -11.6483 -10.5568 -10.5400 -10.5299 -10.4785 -3.3403 -3.3393 -1.8482 -1.8331 -0.4191 -0.4057 -0.2488 -0.2434 1.3846 1.3856 2.0858 2.0916 2.2000 2.2038 2.3964 2.3981 2.8966 2.8992 3.7921 3.7992 3.9691 3.9769 4.2435 4.2477 10.4115 10.4187 11.2407 11.2692 11.8269 11.8661 12.0376 12.0682 k = 0.5391-0.0226 0.5486 ( 3346 PWs) bands (ev): -29.0015 -29.0015 -17.2896 -17.2895 -13.8135 -13.8029 -13.4146 -13.4113 -13.3727 -13.3714 -11.6868 -11.6482 -10.5572 -10.5392 -10.5310 -10.4776 -3.3334 -3.3324 -1.8536 -1.8383 -0.4232 -0.4096 -0.2433 -0.2382 1.3815 1.3826 2.0917 2.0974 2.2113 2.2156 2.3737 2.3750 2.9092 2.9117 3.7934 3.8003 3.9851 3.9929 4.2126 4.2173 10.4153 10.4221 11.2359 11.2659 11.8377 11.8759 12.0421 12.0731 k = 0.5312-0.0180 0.5613 ( 3346 PWs) bands (ev): -29.0015 -29.0015 -17.2893 -17.2893 -13.8147 -13.8039 -13.4154 -13.4119 -13.3718 -13.3706 -11.6869 -11.6482 -10.5575 -10.5385 -10.5320 -10.4767 -3.3271 -3.3261 -1.8585 -1.8430 -0.4266 -0.4128 -0.2386 -0.2339 1.3786 1.3798 2.0982 2.1036 2.2227 2.2274 2.3516 2.3527 2.9202 2.9226 3.7953 3.8020 4.0014 4.0089 4.1821 4.1876 10.4187 10.4250 11.2317 11.2630 11.8474 11.8844 12.0470 12.0782 k = 0.5234-0.0135 0.5741 ( 3350 PWs) bands (ev): -29.0015 -29.0015 -17.2891 -17.2890 -13.8158 -13.8047 -13.4160 -13.4123 -13.3711 -13.3700 -11.6869 -11.6481 -10.5578 -10.5378 -10.5328 -10.4761 -3.3216 -3.3207 -1.8627 -1.8470 -0.4291 -0.4152 -0.2349 -0.2305 1.3762 1.3775 2.1049 2.1096 2.2338 2.2391 2.3304 2.3320 2.9292 2.9315 3.7973 3.8038 4.0174 4.0248 4.1533 4.1597 10.4215 10.4274 11.2282 11.2605 11.8555 11.8913 12.0518 12.0834 k = 0.5156-0.0090 0.5869 ( 3348 PWs) bands (ev): -29.0015 -29.0015 -17.2889 -17.2888 -13.8166 -13.8053 -13.4164 -13.4126 -13.3706 -13.3696 -11.6870 -11.6481 -10.5580 -10.5373 -10.5335 -10.4756 -3.3173 -3.3164 -1.8659 -1.8502 -0.4309 -0.4169 -0.2322 -0.2280 1.3743 1.3756 2.1112 2.1150 2.2442 2.2500 2.3111 2.3140 2.9359 2.9382 3.7992 3.8055 4.0326 4.0397 4.1276 4.1352 10.4236 10.4292 11.2256 11.2587 11.8615 11.8964 12.0559 12.0881 k = 0.5078-0.0045 0.5996 ( 3348 PWs) bands (ev): -29.0015 -29.0015 -17.2887 -17.2887 -13.8171 -13.8058 -13.4167 -13.4128 -13.3702 -13.3693 -11.6870 -11.6480 -10.5581 -10.5369 -10.5339 -10.4753 -3.3145 -3.3136 -1.8681 -1.8522 -0.4319 -0.4179 -0.2305 -0.2265 1.3731 1.3744 2.1163 2.1187 2.2524 2.2587 2.2960 2.3007 2.9401 2.9423 3.8006 3.8068 4.0451 4.0518 4.1079 4.1169 10.4249 10.4303 11.2241 11.2576 11.8653 11.8995 12.0588 12.0916 k = 0.5000-0.0000 0.6124 ( 3380 PWs) bands (ev): -29.0015 -29.0015 -17.2887 -17.2887 -13.8173 -13.8059 -13.4167 -13.4129 -13.3701 -13.3693 -11.6870 -11.6480 -10.5581 -10.5368 -10.5340 -10.4752 -3.3136 -3.3126 -1.8688 -1.8529 -0.4322 -0.4182 -0.2300 -0.2260 1.3726 1.3739 2.1185 2.1200 2.2558 2.2620 2.2901 2.2956 2.9415 2.9438 3.8011 3.8073 4.0503 4.0568 4.0999 4.1098 10.4254 10.4307 11.2235 11.2572 11.8665 11.9006 12.0598 12.0930 k = 0.5000-0.0000 0.6124 ( 3380 PWs) bands (ev): -29.0015 -29.0015 -17.2887 -17.2887 -13.8173 -13.8059 -13.4167 -13.4129 -13.3701 -13.3693 -11.6870 -11.6480 -10.5581 -10.5368 -10.5340 -10.4752 -3.3136 -3.3126 -1.8688 -1.8529 -0.4322 -0.4182 -0.2300 -0.2260 1.3726 1.3739 2.1185 2.1200 2.2558 2.2620 2.2901 2.2956 2.9415 2.9438 3.8011 3.8073 4.0503 4.0568 4.0999 4.1098 10.4254 10.4307 11.2235 11.2572 11.8665 11.9006 12.0598 12.0930 k = 0.5000 0.0090 0.5996 ( 3354 PWs) bands (ev): -29.0015 -29.0015 -17.2888 -17.2888 -13.8169 -13.8056 -13.4166 -13.4128 -13.3702 -13.3692 -11.6871 -11.6481 -10.5582 -10.5368 -10.5341 -10.4753 -3.3155 -3.3145 -1.8668 -1.8509 -0.4326 -0.4186 -0.2312 -0.2271 1.3728 1.3741 2.1170 2.1204 2.2491 2.2565 2.2993 2.3041 2.9409 2.9431 3.8002 3.8065 4.0405 4.0477 4.1120 4.1208 10.4235 10.4289 11.2264 11.2599 11.8644 11.8989 12.0598 12.0933 k = 0.5000 0.0180 0.5869 ( 3354 PWs) bands (ev): -29.0015 -29.0015 -17.2892 -17.2891 -13.8157 -13.8045 -13.4161 -13.4124 -13.3702 -13.3691 -11.6875 -11.6484 -10.5584 -10.5370 -10.5345 -10.4758 -3.3211 -3.3202 -1.8609 -1.8450 -0.4338 -0.4198 -0.2348 -0.2304 1.3733 1.3745 2.1141 2.1200 2.2378 2.2468 2.3185 2.3222 2.9390 2.9413 3.7975 3.8041 4.0226 4.0308 4.1362 4.1438 10.4179 10.4237 11.2349 11.2682 11.8583 11.8939 12.0599 12.0939 k = 0.5000 0.0271 0.5741 ( 3348 PWs) bands (ev): -29.0015 -29.0015 -17.2898 -17.2897 -13.8138 -13.8028 -13.4154 -13.4118 -13.3703 -13.3690 -11.6882 -11.6489 -10.5588 -10.5372 -10.5350 -10.4765 -3.3304 -3.3295 -1.8511 -1.8353 -0.4358 -0.4217 -0.2407 -0.2358 1.3741 1.3753 2.1104 2.1186 2.2274 2.2376 2.3419 2.3446 2.9358 2.9382 3.7930 3.8000 4.0050 4.0139 4.1642 4.1709 10.4090 10.4153 11.2487 11.2815 11.8486 11.8857 12.0599 12.0946 k = 0.5000 0.0361 0.5613 ( 3344 PWs) bands (ev): -29.0015 -29.0015 -17.2906 -17.2905 -13.8112 -13.8003 -13.4143 -13.4110 -13.3704 -13.3688 -11.6890 -11.6495 -10.5593 -10.5374 -10.5358 -10.4775 -3.3432 -3.3421 -1.8378 -1.8219 -0.4386 -0.4244 -0.2489 -0.2433 1.3752 1.3763 2.1065 2.1164 2.2188 2.2299 2.3679 2.3700 2.9315 2.9339 3.7868 3.7942 3.9898 3.9993 4.1940 4.2000 10.3972 10.4041 11.2673 11.2995 11.8360 11.8745 12.0597 12.0949 k = 0.5000 0.0451 0.5486 ( 3342 PWs) bands (ev): -29.0016 -29.0016 -17.2916 -17.2915 -13.8078 -13.7973 -13.4130 -13.4100 -13.3705 -13.3686 -11.6901 -11.6504 -10.5599 -10.5378 -10.5368 -10.4788 -3.3590 -3.3579 -1.8210 -1.8052 -0.4422 -0.4278 -0.2590 -0.2528 1.3766 1.3776 2.1028 2.1139 2.2120 2.2236 2.3959 2.3976 2.9260 2.9285 3.7792 3.7868 3.9778 3.9875 4.2248 4.2302 10.3831 10.3905 11.2900 11.3215 11.8212 11.8607 12.0592 12.0944 k = 0.5000 0.0541 0.5358 ( 3342 PWs) bands (ev): -29.0016 -29.0016 -17.2928 -17.2928 -13.8038 -13.7936 -13.4113 -13.4088 -13.3706 -13.3684 -11.6914 -11.6514 -10.5606 -10.5383 -10.5380 -10.4804 -3.3777 -3.3766 -1.8012 -1.7854 -0.4466 -0.4321 -0.2710 -0.2639 1.3782 1.3792 2.0994 2.1113 2.2067 2.2184 2.4251 2.4268 2.9194 2.9220 3.7705 3.7782 3.9690 3.9786 4.2563 4.2612 10.3671 10.3751 11.3162 11.3468 11.8048 11.8449 12.0582 12.0930 k = 0.5000 0.0631 0.5231 ( 3340 PWs) bands (ev): -29.0016 -29.0016 -17.2942 -17.2942 -13.7991 -13.7893 -13.4095 -13.4074 -13.3706 -13.3682 -11.6930 -11.6527 -10.5615 -10.5394 -10.5387 -10.4822 -3.3989 -3.3977 -1.7786 -1.7628 -0.4518 -0.4371 -0.2846 -0.2767 1.3802 1.3810 2.0968 2.1091 2.2025 2.2142 2.4553 2.4570 2.9118 2.9145 3.7614 3.7690 3.9631 3.9725 4.2881 4.2927 10.3498 10.3582 11.3451 11.3746 11.7875 11.8277 12.0564 12.0904 k = 0.5000 0.0722 0.5103 ( 3336 PWs) bands (ev): -29.0016 -29.0016 -17.2958 -17.2958 -13.7939 -13.7845 -13.4074 -13.4058 -13.3706 -13.3679 -11.6946 -11.6541 -10.5624 -10.5410 -10.5394 -10.4843 -3.4221 -3.4209 -1.7536 -1.7378 -0.4578 -0.4430 -0.2995 -0.2907 1.3824 1.3831 2.0951 2.1075 2.1992 2.2108 2.4859 2.4877 2.9032 2.9061 3.7527 3.7600 3.9599 3.9688 4.3202 4.3244 10.3316 10.3404 11.3759 11.4040 11.7699 11.8096 12.0537 12.0866 k = 0.5000 0.0812 0.4976 ( 3340 PWs) bands (ev): -29.0016 -29.0016 -17.2976 -17.2975 -13.7881 -13.7792 -13.4051 -13.4040 -13.3706 -13.3677 -11.6964 -11.6558 -10.5634 -10.5427 -10.5401 -10.4867 -3.4471 -3.4459 -1.7264 -1.7106 -0.4646 -0.4496 -0.3156 -0.3059 1.3848 1.3854 2.0943 2.1066 2.1966 2.2079 2.5164 2.5183 2.8937 2.8968 3.7449 3.7518 3.9588 3.9672 4.3523 4.3561 10.3130 10.3221 11.4078 11.4342 11.7529 11.7914 12.0500 12.0817 k = 0.5000 0.0902 0.4848 ( 3344 PWs) bands (ev): -29.0017 -29.0017 -17.2995 -17.2994 -13.7818 -13.7735 -13.4028 -13.4019 -13.3706 -13.3673 -11.6984 -11.6576 -10.5644 -10.5445 -10.5409 -10.4892 -3.4735 -3.4722 -1.6975 -1.6817 -0.4722 -0.4570 -0.3326 -0.3220 1.3873 1.3879 2.0944 2.1066 2.1944 2.2055 2.5460 2.5480 2.8835 2.8867 3.7389 3.7454 3.9594 3.9672 4.3843 4.3878 10.2942 10.3036 11.4398 11.4638 11.7376 11.7739 12.0454 12.0755 k = 0.5000 0.0992 0.4720 ( 3346 PWs) bands (ev): -29.0017 -29.0017 -17.3015 -17.3015 -13.7751 -13.7674 -13.4006 -13.3994 -13.3705 -13.3670 -11.7004 -11.6597 -10.5654 -10.5465 -10.5418 -10.4920 -3.5009 -3.4996 -1.6671 -1.6513 -0.4805 -0.4652 -0.3503 -0.3388 1.3901 1.3906 2.0956 2.1075 2.1927 2.2034 2.5743 2.5764 2.8726 2.8760 3.7351 3.7412 3.9612 3.9685 4.4160 4.4193 10.2755 10.2851 11.4707 11.4913 11.7253 11.7582 12.0399 12.0684 k = 0.5000 0.1083 0.4593 ( 3344 PWs) bands (ev): -29.0017 -29.0017 -17.3037 -17.3036 -13.7680 -13.7609 -13.3984 -13.3967 -13.3704 -13.3666 -11.7025 -11.6619 -10.5665 -10.5485 -10.5427 -10.4949 -3.5290 -3.5277 -1.6355 -1.6197 -0.4895 -0.4741 -0.3685 -0.3560 1.3930 1.3934 2.0976 2.1093 2.1912 2.2017 2.6007 2.6028 2.8612 2.8647 3.7343 3.7399 3.9641 3.9708 4.4474 4.4504 10.2572 10.2668 11.4987 11.5147 11.7182 11.7458 12.0334 12.0604 k = 0.5000 0.1173 0.4465 ( 3348 PWs) bands (ev): -29.0018 -29.0018 -17.3059 -17.3058 -13.7606 -13.7542 -13.3962 -13.3937 -13.3702 -13.3662 -11.7046 -11.6643 -10.5676 -10.5506 -10.5438 -10.4981 -3.5575 -3.5561 -1.6029 -1.5872 -0.4992 -0.4838 -0.3868 -0.3736 1.3959 1.3964 2.1006 2.1118 2.1901 2.2002 2.6246 2.6269 2.8493 2.8530 3.7366 3.7419 3.9677 3.9739 4.4784 4.4811 10.2395 10.2490 11.5208 11.5323 11.7186 11.7389 12.0262 12.0516 k = 0.5000 0.1263 0.4338 ( 3350 PWs) bands (ev): -29.0018 -29.0018 -17.3081 -17.3081 -13.7531 -13.7473 -13.3940 -13.3907 -13.3699 -13.3657 -11.7068 -11.6668 -10.5686 -10.5528 -10.5449 -10.5013 -3.5861 -3.5847 -1.5696 -1.5540 -0.5095 -0.4942 -0.4053 -0.3914 1.3990 1.3995 2.1043 2.1152 2.1892 2.1990 2.6457 2.6481 2.8370 2.8409 3.7424 3.7473 3.9719 3.9776 4.5087 4.5112 10.2223 10.2318 11.5322 11.5446 11.7272 11.7405 12.0184 12.0422 k = 0.5000 0.1353 0.4210 ( 3350 PWs) bands (ev): -29.0018 -29.0018 -17.3105 -17.3104 -13.7453 -13.7403 -13.3918 -13.3876 -13.3696 -13.3652 -11.7089 -11.6696 -10.5696 -10.5549 -10.5461 -10.5047 -3.6146 -3.6132 -1.5359 -1.5203 -0.5203 -0.5052 -0.4237 -0.4093 1.4021 1.4027 2.1087 2.1192 2.1886 2.1980 2.6636 2.6663 2.8245 2.8286 3.7517 3.7563 3.9764 3.9817 4.5384 4.5407 10.2059 10.2153 11.5330 11.5511 11.7418 11.7531 12.0100 12.0324 k = 0.5000 0.1443 0.4082 ( 3358 PWs) bands (ev): -29.0019 -29.0019 -17.3128 -17.3127 -13.7376 -13.7332 -13.3895 -13.3844 -13.3692 -13.3646 -11.7110 -11.6724 -10.5705 -10.5571 -10.5474 -10.5083 -3.6426 -3.6412 -1.5019 -1.4865 -0.5315 -0.5167 -0.4420 -0.4271 1.4052 1.4058 2.1137 2.1238 2.1882 2.1972 2.6782 2.6812 2.8118 2.8161 3.7644 3.7686 3.9811 3.9860 4.5674 4.5695 10.1903 10.1994 11.5275 11.5507 11.7608 11.7749 12.0012 12.0223 k = 0.5000 0.1534 0.3955 ( 3354 PWs) bands (ev): -29.0019 -29.0019 -17.3151 -17.3151 -13.7298 -13.7261 -13.3873 -13.3813 -13.3688 -13.3640 -11.7130 -11.6754 -10.5714 -10.5592 -10.5487 -10.5119 -3.6700 -3.6686 -1.4679 -1.4525 -0.5430 -0.5287 -0.4600 -0.4449 1.4083 1.4090 2.1193 2.1290 2.1880 2.1966 2.6896 2.6929 2.7991 2.8036 3.7802 3.7841 3.9860 3.9905 4.5955 4.5974 10.1755 10.1844 11.5188 11.5451 11.7839 11.8008 11.9921 12.0121 k = 0.5000 0.1624 0.3827 ( 3352 PWs) bands (ev): -29.0019 -29.0019 -17.3174 -17.3174 -13.7222 -13.7190 -13.3851 -13.3783 -13.3682 -13.3634 -11.7148 -11.6785 -10.5722 -10.5613 -10.5500 -10.5155 -3.6965 -3.6951 -1.4340 -1.4188 -0.5545 -0.5409 -0.4777 -0.4627 1.4114 1.4122 2.1252 2.1344 2.1880 2.1962 2.6978 2.7014 2.7866 2.7913 3.7987 3.8024 3.9909 3.9950 4.6227 4.6244 10.1616 10.1702 11.5088 11.5367 11.8091 11.8280 11.9828 12.0019 k = 0.5000 0.1714 0.3700 ( 3354 PWs) bands (ev): -29.0020 -29.0020 -17.3197 -17.3196 -13.7147 -13.7122 -13.3830 -13.3753 -13.3677 -13.3626 -11.7166 -11.6816 -10.5729 -10.5633 -10.5514 -10.5192 -3.7220 -3.7207 -1.4005 -1.3855 -0.5661 -0.5532 -0.4952 -0.4803 1.4144 1.4152 2.1315 2.1402 2.1883 2.1961 2.7031 2.7070 2.7742 2.7791 3.8195 3.8228 3.9958 3.9996 4.6488 4.6504 10.1486 10.1568 11.4988 11.5270 11.8346 11.8548 11.9736 11.9919 k = 0.5000 0.1804 0.3572 ( 3354 PWs) bands (ev): -29.0020 -29.0020 -17.3218 -17.3218 -13.7075 -13.7055 -13.3809 -13.3725 -13.3670 -13.3619 -11.7182 -11.6848 -10.5735 -10.5652 -10.5527 -10.5229 -3.7462 -3.7450 -1.3675 -1.3527 -0.5774 -0.5654 -0.5123 -0.4977 1.4173 1.4182 2.1379 2.1461 2.1888 2.1961 2.7058 2.7101 2.7623 2.7673 3.8418 3.8448 4.0005 4.0040 4.6738 4.6752 10.1365 10.1442 11.4894 11.5172 11.8588 11.8799 11.9644 11.9824 k = 0.5000 0.1894 0.3445 ( 3342 PWs) bands (ev): -29.0020 -29.0020 -17.3239 -17.3239 -13.7006 -13.6991 -13.3789 -13.3699 -13.3662 -13.3611 -11.7196 -11.6881 -10.5740 -10.5670 -10.5540 -10.5265 -3.7691 -3.7679 -1.3352 -1.3208 -0.5885 -0.5774 -0.5291 -0.5151 1.4202 1.4210 2.1443 2.1520 2.1896 2.1963 2.7064 2.7109 2.7509 2.7559 3.8651 3.8678 4.0051 4.0082 4.6976 4.6988 10.1254 10.1326 11.4810 11.5080 11.8803 11.9022 11.9554 11.9737 k = 0.5000 0.1985 0.3317 ( 3354 PWs) bands (ev): -29.0021 -29.0021 -17.3259 -17.3258 -13.6941 -13.6930 -13.3770 -13.3677 -13.3652 -13.3603 -11.7208 -11.6913 -10.5745 -10.5686 -10.5553 -10.5301 -3.7904 -3.7893 -1.3039 -1.2899 -0.5990 -0.5889 -0.5455 -0.5322 1.4229 1.4237 2.1507 2.1577 2.1907 2.1967 2.7052 2.7097 2.7401 2.7451 3.8886 3.8911 4.0095 4.0123 4.7199 4.7210 10.1151 10.1218 11.4739 11.4996 11.8977 11.9206 11.9469 11.9659 k = 0.5000 0.2075 0.3189 ( 3352 PWs) bands (ev): -29.0021 -29.0021 -17.3277 -17.3277 -13.6881 -13.6873 -13.3752 -13.3663 -13.3637 -13.3594 -11.7217 -11.6946 -10.5748 -10.5700 -10.5565 -10.5336 -3.8101 -3.8091 -1.2738 -1.2603 -0.6090 -0.5998 -0.5614 -0.5490 1.4254 1.4262 2.1569 2.1632 2.1920 2.1973 2.7026 2.7070 2.7303 2.7351 3.9118 3.9140 4.0136 4.0160 4.7408 4.7417 10.1058 10.1119 11.4683 11.4924 11.9095 11.9336 11.9391 11.9595 k = 0.5000 0.2165 0.3062 ( 3356 PWs) bands (ev): -29.0021 -29.0021 -17.3294 -17.3294 -13.6826 -13.6820 -13.3735 -13.3654 -13.3618 -13.3586 -11.7224 -11.6977 -10.5750 -10.5713 -10.5576 -10.5371 -3.8281 -3.8271 -1.2451 -1.2322 -0.6182 -0.6101 -0.5767 -0.5654 1.4277 1.4285 2.1627 2.1682 2.1936 2.1981 2.6990 2.7030 2.7215 2.7258 3.9340 3.9360 4.0174 4.0196 4.7599 4.7607 10.0974 10.1029 11.4640 11.4863 11.9151 11.9307 11.9418 11.9542 k = 0.5000 0.2255 0.2934 ( 3354 PWs) bands (ev): -29.0021 -29.0021 -17.3309 -17.3309 -13.6777 -13.6771 -13.3719 -13.3648 -13.3601 -13.3578 -11.7229 -11.7008 -10.5752 -10.5725 -10.5585 -10.5403 -3.8441 -3.8433 -1.2181 -1.2060 -0.6267 -0.6195 -0.5912 -0.5811 1.4298 1.4305 2.1680 2.1727 2.1955 2.1990 2.6948 2.6981 2.7140 2.7175 3.9548 3.9565 4.0209 4.0228 4.7773 4.7780 10.0899 10.0948 11.4612 11.4814 11.9157 11.9238 11.9426 11.9488 k = 0.5000 0.2345 0.2807 ( 3356 PWs) bands (ev): -29.0022 -29.0022 -17.3323 -17.3323 -13.6733 -13.6728 -13.3704 -13.3643 -13.3585 -13.3570 -11.7231 -11.7038 -10.5752 -10.5734 -10.5592 -10.5434 -3.8582 -3.8574 -1.1931 -1.1821 -0.6344 -0.6280 -0.6045 -0.5961 1.4317 1.4324 2.1727 2.1765 2.1976 2.2002 2.6903 2.6927 2.7076 2.7101 3.9736 3.9750 4.0242 4.0257 4.7928 4.7934 10.0834 10.0877 11.4596 11.4775 11.9133 11.9176 11.9380 11.9418 k = 0.5000 0.2436 0.2679 ( 3352 PWs) bands (ev): -29.0022 -29.0022 -17.3335 -17.3334 -13.6696 -13.6691 -13.3691 -13.3640 -13.3571 -13.3562 -11.7230 -11.7067 -10.5753 -10.5741 -10.5597 -10.5463 -3.8702 -3.8696 -1.1706 -1.1608 -0.6413 -0.6356 -0.6162 -0.6098 1.4334 1.4339 2.1766 2.1795 2.1998 2.2015 2.6858 2.6874 2.7023 2.7039 3.9900 3.9911 4.0272 4.0284 4.8062 4.8066 10.0780 10.0815 11.4592 11.4746 11.9099 11.9121 11.9299 11.9329 k = 0.5000 0.2526 0.2552 ( 3352 PWs) bands (ev): -29.0022 -29.0022 -17.3344 -17.3344 -13.6665 -13.6661 -13.3679 -13.3638 -13.3560 -13.3556 -11.7226 -11.7094 -10.5753 -10.5747 -10.5599 -10.5490 -3.8801 -3.8796 -1.1510 -1.1426 -0.6475 -0.6422 -0.6261 -0.6218 1.4347 1.4352 2.1797 2.1819 2.2019 2.2028 2.6817 2.6826 2.6979 2.6987 4.0035 4.0043 4.0301 4.0310 4.8173 4.8177 10.0735 10.0763 11.4597 11.4723 11.9063 11.9075 11.9205 11.9230 k = 0.5000 0.2616 0.2424 ( 3350 PWs) bands (ev): -29.0022 -29.0022 -17.3352 -17.3352 -13.6641 -13.6637 -13.3668 -13.3638 -13.3552 -13.3550 -11.7219 -11.7119 -10.5754 -10.5751 -10.5597 -10.5515 -3.8879 -3.8875 -1.1347 -1.1281 -0.6528 -0.6479 -0.6337 -0.6316 1.4358 1.4362 2.1820 2.1836 2.2038 2.2042 2.6782 2.6787 2.6943 2.6947 4.0137 4.0141 4.0331 4.0336 4.8262 4.8264 10.0701 10.0722 11.4608 11.4705 11.9032 11.9039 11.9118 11.9136 k = 0.5000 0.2706 0.2296 ( 3342 PWs) bands (ev): -29.0022 -29.0022 -17.3357 -17.3357 -13.6623 -13.6620 -13.3659 -13.3639 -13.3546 -13.3545 -11.7209 -11.7142 -10.5755 -10.5754 -10.5592 -10.5537 -3.8934 -3.8932 -1.1222 -1.1176 -0.6568 -0.6529 -0.6391 -0.6384 1.4366 1.4369 2.1837 2.1847 2.2052 2.2054 2.6756 2.6758 2.6917 2.6918 4.0202 4.0204 4.0361 4.0363 4.8326 4.8328 10.0677 10.0692 11.4623 11.4689 11.9005 11.9011 11.9051 11.9060 k = 0.5000 0.2797 0.2169 ( 3352 PWs) bands (ev): -29.0022 -29.0022 -17.3361 -17.3361 -13.6612 -13.6610 -13.3651 -13.3641 -13.3543 -13.3543 -11.7196 -11.7162 -10.5755 -10.5755 -10.5584 -10.5555 -3.8967 -3.8966 -1.1140 -1.1117 -0.6589 -0.6567 -0.6423 -0.6422 1.4372 1.4373 2.1847 2.1853 2.2061 2.2062 2.6739 2.6740 2.6901 2.6901 4.0236 4.0236 4.0385 4.0385 4.8365 4.8365 10.0665 10.0672 11.4640 11.4673 11.8982 11.8988 11.9015 11.9016 k = 0.5000 0.2887 0.2041 ( 3354 PWs) bands (ev): -29.0022 -29.0022 -17.3362 -17.3362 -13.6607 -13.6607 -13.3646 -13.3646 -13.3542 -13.3542 -11.7181 -11.7181 -10.5755 -10.5755 -10.5571 -10.5571 -3.8978 -3.8978 -1.1105 -1.1105 -0.6589 -0.6589 -0.6434 -0.6434 1.4374 1.4374 2.1853 2.1853 2.2064 2.2064 2.6734 2.6734 2.6895 2.6895 4.0246 4.0246 4.0394 4.0394 4.8378 4.8378 10.0663 10.0663 11.4657 11.4657 11.8974 11.8974 11.9005 11.9005 k = 0.5000 0.2887 0.2041 ( 3354 PWs) bands (ev): -29.0022 -29.0022 -17.3362 -17.3362 -13.6607 -13.6607 -13.3646 -13.3646 -13.3542 -13.3542 -11.7181 -11.7181 -10.5755 -10.5755 -10.5571 -10.5571 -3.8978 -3.8978 -1.1105 -1.1105 -0.6589 -0.6589 -0.6434 -0.6434 1.4374 1.4374 2.1853 2.1853 2.2064 2.2064 2.6734 2.6734 2.6895 2.6895 4.0246 4.0246 4.0394 4.0394 4.8378 4.8378 10.0663 10.0663 11.4657 11.4657 11.8974 11.8974 11.9005 11.9005 k = 0.4954 0.2860 0.2192 ( 3352 PWs) bands (ev): -29.0022 -29.0022 -17.3361 -17.3361 -13.6612 -13.6610 -13.3652 -13.3641 -13.3543 -13.3543 -11.7196 -11.7162 -10.5755 -10.5755 -10.5584 -10.5555 -3.8967 -3.8966 -1.1142 -1.1118 -0.6589 -0.6567 -0.6422 -0.6422 1.4371 1.4373 2.1847 2.1853 2.2061 2.2061 2.6740 2.6741 2.6901 2.6901 4.0235 4.0236 4.0384 4.0384 4.8364 4.8365 10.0665 10.0672 11.4639 11.4674 11.8982 11.8988 11.9015 11.9017 k = 0.4907 0.2833 0.2344 ( 3340 PWs) bands (ev): -29.0022 -29.0022 -17.3357 -17.3357 -13.6623 -13.6621 -13.3659 -13.3638 -13.3546 -13.3546 -11.7209 -11.7141 -10.5754 -10.5754 -10.5593 -10.5535 -3.8932 -3.8929 -1.1228 -1.1181 -0.6566 -0.6526 -0.6388 -0.6382 1.4366 1.4369 2.1836 2.1847 2.2052 2.2053 2.6757 2.6759 2.6919 2.6919 4.0201 4.0201 4.0360 4.0360 4.8323 4.8325 10.0678 10.0693 11.4622 11.4690 11.9007 11.9012 11.9053 11.9064 k = 0.4861 0.2807 0.2495 ( 3348 PWs) bands (ev): -29.0022 -29.0022 -17.3351 -17.3351 -13.6642 -13.6638 -13.3669 -13.3638 -13.3552 -13.3551 -11.7219 -11.7117 -10.5753 -10.5752 -10.5597 -10.5513 -3.8873 -3.8870 -1.1358 -1.1291 -0.6523 -0.6476 -0.6330 -0.6311 1.4358 1.4361 2.1819 2.1835 2.2039 2.2039 2.6786 2.6789 2.6947 2.6948 4.0132 4.0133 4.0330 4.0332 4.8255 4.8258 10.0703 10.0725 11.4607 11.4706 11.9037 11.9039 11.9123 11.9143 k = 0.4815 0.2780 0.2646 ( 3354 PWs) bands (ev): -29.0022 -29.0022 -17.3343 -17.3343 -13.6668 -13.6664 -13.3680 -13.3638 -13.3560 -13.3558 -11.7226 -11.7091 -10.5751 -10.5749 -10.5599 -10.5488 -3.8792 -3.8787 -1.1529 -1.1444 -0.6465 -0.6420 -0.6247 -0.6210 1.4346 1.4351 2.1795 2.1816 2.2022 2.2022 2.6824 2.6828 2.6987 2.6988 4.0026 4.0028 4.0300 4.0303 4.8163 4.8167 10.0739 10.0768 11.4596 11.4725 11.9074 11.9075 11.9213 11.9241 k = 0.4769 0.2753 0.2797 ( 3349 PWs) bands (ev): -29.0022 -29.0022 -17.3333 -17.3333 -13.6701 -13.6696 -13.3692 -13.3641 -13.3570 -13.3566 -11.7230 -11.7063 -10.5749 -10.5745 -10.5596 -10.5460 -3.8687 -3.8681 -1.1734 -1.1634 -0.6397 -0.6356 -0.6142 -0.6086 1.4332 1.4337 2.1764 2.1789 2.2004 2.2004 2.6872 2.6875 2.7036 2.7038 3.9887 3.9889 4.0269 4.0274 4.8046 4.8051 10.0786 10.0823 11.4592 11.4749 11.9118 11.9119 11.9305 11.9341 k = 0.4722 0.2726 0.2948 ( 3351 PWs) bands (ev): -29.0022 -29.0022 -17.3321 -17.3321 -13.6739 -13.6735 -13.3706 -13.3645 -13.3583 -13.3575 -11.7231 -11.7034 -10.5746 -10.5740 -10.5590 -10.5430 -3.8561 -3.8553 -1.1969 -1.1857 -0.6318 -0.6282 -0.6017 -0.5945 1.4314 1.4321 2.1725 2.1753 2.1985 2.1987 2.6925 2.6927 2.7094 2.7098 3.9719 3.9722 4.0235 4.0242 4.7906 4.7912 10.0844 10.0887 11.4597 11.4780 11.9167 11.9169 11.9381 11.9426 k = 0.4676 0.2700 0.3100 ( 3349 PWs) bands (ev): -29.0021 -29.0021 -17.3307 -17.3306 -13.6784 -13.6781 -13.3721 -13.3650 -13.3597 -13.3586 -11.7228 -11.7003 -10.5742 -10.5734 -10.5580 -10.5398 -3.8413 -3.8404 -1.2229 -1.2107 -0.6230 -0.6197 -0.5878 -0.5793 1.4295 1.4302 2.1679 2.1710 2.1967 2.1971 2.6982 2.6982 2.7159 2.7166 3.9527 3.9531 4.0197 4.0204 4.7746 4.7753 10.0912 10.0962 11.4613 11.4819 11.9212 11.9218 11.9426 11.9476 k = 0.4630 0.2673 0.3251 ( 3349 PWs) bands (ev): -29.0021 -29.0021 -17.3291 -17.3290 -13.6834 -13.6833 -13.3736 -13.3657 -13.3613 -13.3598 -11.7223 -11.6971 -10.5738 -10.5726 -10.5568 -10.5365 -3.8245 -3.8235 -1.2510 -1.2380 -0.6132 -0.6102 -0.5729 -0.5634 1.4273 1.4280 2.1628 2.1660 2.1951 2.1956 2.7036 2.7038 2.7233 2.7242 3.9317 3.9322 4.0152 4.0161 4.7567 4.7575 10.0990 10.1047 11.4642 11.4869 11.9227 11.9248 11.9449 11.9491 k = 0.4583 0.2646 0.3402 ( 3341 PWs) bands (ev): -29.0021 -29.0021 -17.3273 -17.3273 -13.6891 -13.6890 -13.3752 -13.3666 -13.3630 -13.3611 -11.7215 -11.6938 -10.5732 -10.5718 -10.5553 -10.5331 -3.8057 -3.8046 -1.2808 -1.2672 -0.6024 -0.5997 -0.5574 -0.5471 1.4248 1.4257 2.1572 2.1606 2.1936 2.1944 2.7087 2.7091 2.7312 2.7325 3.9094 3.9100 4.0101 4.0111 4.7372 4.7382 10.1078 10.1141 11.4683 11.4929 11.9167 11.9214 11.9489 11.9508 k = 0.4537 0.2619 0.3553 ( 3347 PWs) bands (ev): -29.0021 -29.0021 -17.3254 -17.3253 -13.6954 -13.6949 -13.3769 -13.3677 -13.3648 -13.3625 -11.7205 -11.6904 -10.5725 -10.5709 -10.5536 -10.5296 -3.7851 -3.7839 -1.3120 -1.2980 -0.5907 -0.5881 -0.5415 -0.5306 1.4223 1.4231 2.1512 2.1547 2.1922 2.1932 2.7130 2.7137 2.7396 2.7412 3.8865 3.8871 4.0041 4.0053 4.7165 4.7175 10.1176 10.1244 11.4737 11.4999 11.9026 11.9088 11.9557 11.9561 k = 0.4491 0.2593 0.3704 ( 3345 PWs) bands (ev): -29.0020 -29.0020 -17.3233 -17.3233 -13.7021 -13.7013 -13.3786 -13.3691 -13.3664 -13.3639 -11.7192 -11.6871 -10.5717 -10.5699 -10.5518 -10.5261 -3.7628 -3.7616 -1.3444 -1.3300 -0.5782 -0.5757 -0.5254 -0.5140 1.4195 1.4204 2.1451 2.1487 2.1908 2.1920 2.7162 2.7171 2.7484 2.7502 3.8635 3.8642 3.9973 3.9986 4.6947 4.6959 10.1283 10.1357 11.4802 11.5076 11.8827 11.8894 11.9636 11.9640 k = 0.4444 0.2566 0.3856 ( 3351 PWs) bands (ev): -29.0020 -29.0020 -17.3212 -17.3211 -13.7092 -13.7080 -13.3802 -13.3708 -13.3679 -13.3654 -11.7177 -11.6837 -10.5708 -10.5688 -10.5498 -10.5225 -3.7390 -3.7378 -1.3776 -1.3630 -0.5649 -0.5625 -0.5093 -0.4976 1.4167 1.4176 2.1390 2.1427 2.1895 2.1909 2.7180 2.7191 2.7573 2.7593 3.8410 3.8418 3.9896 3.9910 4.6722 4.6736 10.1399 10.1478 11.4876 11.5159 11.8591 11.8654 11.9721 11.9731 k = 0.4398 0.2539 0.4007 ( 3350 PWs) bands (ev): -29.0020 -29.0020 -17.3189 -17.3189 -13.7166 -13.7150 -13.3819 -13.3728 -13.3693 -13.3670 -11.7160 -11.6804 -10.5698 -10.5677 -10.5476 -10.5190 -3.7139 -3.7126 -1.4116 -1.3967 -0.5508 -0.5485 -0.4934 -0.4814 1.4138 1.4147 2.1330 2.1367 2.1881 2.1896 2.7180 2.7193 2.7661 2.7683 3.8199 3.8207 3.9809 3.9824 4.6494 4.6509 10.1524 10.1608 11.4955 11.5241 11.8334 11.8387 11.9810 11.9826 k = 0.4352 0.2513 0.4158 ( 3344 PWs) bands (ev): -29.0019 -29.0019 -17.3166 -17.3165 -13.7242 -13.7221 -13.3836 -13.3750 -13.3706 -13.3685 -11.7141 -11.6772 -10.5687 -10.5664 -10.5454 -10.5155 -3.6877 -3.6863 -1.4459 -1.4310 -0.5362 -0.5338 -0.4777 -0.4656 1.4110 1.4118 2.1272 2.1310 2.1866 2.1882 2.7160 2.7175 2.7747 2.7771 3.8007 3.8015 3.9712 3.9729 4.6266 4.6283 10.1658 10.1746 11.5033 11.5315 11.8069 11.8106 11.9901 11.9921 k = 0.4306 0.2486 0.4309 ( 3342 PWs) bands (ev): -29.0019 -29.0019 -17.3142 -17.3142 -13.7319 -13.7293 -13.3852 -13.3773 -13.3718 -13.3701 -11.7121 -11.6740 -10.5675 -10.5651 -10.5431 -10.5122 -3.6605 -3.6592 -1.4805 -1.4655 -0.5210 -0.5187 -0.4623 -0.4501 1.4082 1.4089 2.1219 2.1257 2.1848 2.1865 2.7117 2.7134 2.7829 2.7853 3.7840 3.7849 3.9605 3.9623 4.6042 4.6059 10.1801 10.1893 11.5103 11.5369 11.7814 11.7824 11.9989 12.0015 k = 0.4259 0.2459 0.4460 ( 3342 PWs) bands (ev): -29.0019 -29.0019 -17.3119 -17.3118 -13.7397 -13.7366 -13.3867 -13.3796 -13.3731 -13.3717 -11.7100 -11.6709 -10.5663 -10.5638 -10.5408 -10.5089 -3.6328 -3.6314 -1.5151 -1.5000 -0.5055 -0.5031 -0.4473 -0.4351 1.4055 1.4062 2.1170 2.1209 2.1825 2.1843 2.7050 2.7069 2.7903 2.7929 3.7704 3.7713 3.9489 3.9508 4.5823 4.5842 10.1951 10.2046 11.5150 11.5386 11.7556 11.7588 12.0074 12.0106 k = 0.4213 0.2432 0.4612 ( 3348 PWs) bands (ev): -29.0018 -29.0018 -17.3095 -17.3094 -13.7474 -13.7438 -13.3883 -13.3819 -13.3744 -13.3733 -11.7078 -11.6680 -10.5649 -10.5624 -10.5385 -10.5058 -3.6047 -3.6033 -1.5493 -1.5342 -0.4897 -0.4873 -0.4328 -0.4206 1.4030 1.4036 2.1127 2.1167 2.1797 2.1815 2.6959 2.6980 2.7968 2.7995 3.7603 3.7612 3.9364 3.9384 4.5614 4.5634 10.2109 10.2207 11.5160 11.5348 11.7323 11.7413 12.0153 12.0190 k = 0.4167 0.2406 0.4763 ( 3346 PWs) bands (ev): -29.0018 -29.0018 -17.3072 -17.3071 -13.7549 -13.7509 -13.3897 -13.3841 -13.3757 -13.3749 -11.7055 -11.6651 -10.5636 -10.5610 -10.5361 -10.5029 -3.5765 -3.5751 -1.5830 -1.5680 -0.4738 -0.4713 -0.4187 -0.4066 1.4007 1.4013 2.1091 2.1132 2.1761 2.1778 2.6847 2.6869 2.8021 2.8049 3.7539 3.7548 3.9232 3.9252 4.5416 4.5437 10.2274 10.2374 11.5112 11.5237 11.7145 11.7307 12.0224 12.0267 k = 0.4120 0.2379 0.4914 ( 3346 PWs) bands (ev): -29.0018 -29.0018 -17.3049 -17.3048 -13.7622 -13.7578 -13.3912 -13.3863 -13.3770 -13.3765 -11.7032 -11.6625 -10.5622 -10.5596 -10.5339 -10.5002 -3.5487 -3.5473 -1.6160 -1.6010 -0.4580 -0.4554 -0.4052 -0.3932 1.3988 1.3993 2.1064 2.1106 2.1713 2.1731 2.6716 2.6740 2.8060 2.8090 3.7515 3.7524 3.9095 3.9115 4.5232 4.5254 10.2445 10.2547 11.4993 11.5053 11.7038 11.7273 12.0285 12.0334 k = 0.4074 0.2352 0.5065 ( 3342 PWs) bands (ev): -29.0017 -29.0017 -17.3027 -17.3027 -13.7692 -13.7643 -13.3926 -13.3885 -13.3782 -13.3780 -11.7009 -11.6600 -10.5607 -10.5581 -10.5317 -10.4977 -3.5215 -3.5202 -1.6478 -1.6329 -0.4423 -0.4396 -0.3923 -0.3804 1.3973 1.3977 2.1046 2.1088 2.1653 2.1670 2.6572 2.6597 2.8084 2.8114 3.7531 3.7539 3.8955 3.8976 4.5063 4.5085 10.2620 10.2724 11.4803 11.4812 11.7002 11.7297 12.0334 12.0388 k = 0.4028 0.2325 0.5217 ( 3344 PWs) bands (ev): -29.0017 -29.0017 -17.3006 -17.3006 -13.7758 -13.7705 -13.3939 -13.3906 -13.3794 -13.3794 -11.6986 -11.6577 -10.5593 -10.5567 -10.5296 -10.4954 -3.4955 -3.4942 -1.6781 -1.6634 -0.4270 -0.4241 -0.3799 -0.3684 1.3963 1.3967 2.1037 2.1081 2.1576 2.1593 2.6420 2.6446 2.8089 2.8120 3.7584 3.7592 3.8816 3.8837 4.4909 4.4932 10.2799 10.2904 11.4532 11.4560 11.7022 11.7359 12.0370 12.0430 k = 0.3981 0.2299 0.5368 ( 3344 PWs) bands (ev): -29.0017 -29.0017 -17.2987 -17.2987 -13.7818 -13.7762 -13.3952 -13.3925 -13.3808 -13.3806 -11.6963 -11.6556 -10.5578 -10.5552 -10.5276 -10.4934 -3.4710 -3.4698 -1.7067 -1.6922 -0.4122 -0.4092 -0.3683 -0.3570 1.3960 1.3962 2.1039 2.1085 2.1481 2.1496 2.6269 2.6296 2.8074 2.8106 3.7674 3.7681 3.8683 3.8703 4.4770 4.4794 10.2979 10.3085 11.4233 11.4284 11.7079 11.7444 12.0392 12.0456 k = 0.3935 0.2272 0.5519 ( 3338 PWs) bands (ev): -29.0016 -29.0016 -17.2969 -17.2969 -13.7873 -13.7814 -13.3964 -13.3944 -13.3821 -13.3818 -11.6941 -11.6537 -10.5564 -10.5538 -10.5257 -10.4917 -3.4485 -3.4474 -1.7332 -1.7189 -0.3982 -0.3948 -0.3574 -0.3464 1.3964 1.3965 2.1051 2.1101 2.1367 2.1378 2.6124 2.6152 2.8036 2.8069 3.7796 3.7802 3.8558 3.8577 4.4647 4.4671 10.3159 10.3265 11.3929 11.3994 11.7157 11.7540 12.0399 12.0466 k = 0.3889 0.2245 0.5670 ( 3342 PWs) bands (ev): -29.0016 -29.0016 -17.2954 -17.2953 -13.7921 -13.7859 -13.3976 -13.3962 -13.3833 -13.3828 -11.6919 -11.6521 -10.5550 -10.5524 -10.5240 -10.4903 -3.4285 -3.4274 -1.7572 -1.7431 -0.3849 -0.3814 -0.3472 -0.3367 1.3976 1.3976 2.1065 2.1128 2.1240 2.1241 2.5994 2.6021 2.7975 2.8009 3.7948 3.7952 3.8446 3.8463 4.4540 4.4563 10.3335 10.3441 11.3629 11.3703 11.7243 11.7637 12.0389 12.0459 k = 0.3843 0.2219 0.5821 ( 3338 PWs) bands (ev): -29.0016 -29.0016 -17.2940 -17.2939 -13.7962 -13.7898 -13.3987 -13.3978 -13.3844 -13.3838 -11.6899 -11.6506 -10.5536 -10.5510 -10.5225 -10.4892 -3.4114 -3.4104 -1.7784 -1.7645 -0.3727 -0.3689 -0.3379 -0.3279 1.3997 1.3997 2.1015 2.1070 2.1169 2.1177 2.5882 2.5909 2.7890 2.7924 3.8122 3.8126 3.8357 3.8366 4.4446 4.4470 10.3505 10.3611 11.3343 11.3421 11.7330 11.7729 12.0364 12.0435 k = 0.3796 0.2192 0.5973 ( 3344 PWs) bands (ev): -29.0016 -29.0016 -17.2928 -17.2928 -13.7995 -13.7929 -13.3998 -13.3993 -13.3853 -13.3848 -11.6879 -11.6494 -10.5522 -10.5496 -10.5211 -10.4884 -3.3978 -3.3968 -1.7963 -1.7827 -0.3617 -0.3576 -0.3296 -0.3201 1.4028 1.4029 2.0852 2.0887 2.1203 2.1231 2.5793 2.5819 2.7780 2.7815 3.8229 3.8270 3.8345 3.8373 4.4366 4.4389 10.3665 10.3769 11.3077 11.3158 11.7412 11.7813 12.0321 12.0394 k = 0.3750 0.2165 0.6124 ( 3352 PWs) bands (ev): -29.0016 -29.0016 -17.2919 -17.2919 -13.8019 -13.7953 -13.4008 -13.4007 -13.3862 -13.3856 -11.6861 -11.6484 -10.5509 -10.5483 -10.5200 -10.4879 -3.3880 -3.3871 -1.8108 -1.7975 -0.3521 -0.3476 -0.3223 -0.3134 1.4071 1.4073 2.0655 2.0685 2.1268 2.1301 2.5728 2.5753 2.7646 2.7681 3.8194 3.8222 3.8556 3.8572 4.4298 4.4321 10.3810 10.3914 11.2839 11.2920 11.7486 11.7885 12.0263 12.0336 k = 0.6250-0.0722 0.4082 ( 3352 PWs) bands (ev): -29.0016 -29.0016 -17.2919 -17.2919 -13.8019 -13.7953 -13.4008 -13.4007 -13.3862 -13.3856 -11.6861 -11.6484 -10.5509 -10.5483 -10.5200 -10.4879 -3.3880 -3.3871 -1.8108 -1.7975 -0.3521 -0.3476 -0.3223 -0.3134 1.4071 1.4073 2.0655 2.0685 2.1268 2.1301 2.5728 2.5753 2.7646 2.7681 3.8194 3.8222 3.8556 3.8573 4.4298 4.4321 10.3810 10.3914 11.2839 11.2920 11.7486 11.7885 12.0263 12.0336 k = 0.6172-0.0857 0.4082 ( 3342 PWs) bands (ev): -29.0016 -29.0016 -17.2907 -17.2906 -13.8050 -13.7983 -13.4030 -13.4025 -13.3876 -13.3870 -11.6832 -11.6470 -10.5487 -10.5462 -10.5182 -10.4874 -3.3761 -3.3752 -1.8312 -1.8185 -0.3374 -0.3323 -0.3107 -0.3030 1.4162 1.4165 2.0307 2.0335 2.1396 2.1433 2.5627 2.5650 2.7399 2.7435 3.8127 3.8150 3.8956 3.8968 4.4195 4.4218 10.4047 10.4148 11.2466 11.2546 11.7597 11.7990 12.0150 12.0223 k = 0.6094-0.0992 0.4082 ( 3346 PWs) bands (ev): -29.0016 -29.0016 -17.2895 -17.2895 -13.8077 -13.8009 -13.4052 -13.4043 -13.3888 -13.3883 -11.6802 -11.6458 -10.5465 -10.5440 -10.5165 -10.4870 -3.3663 -3.3655 -1.8498 -1.8377 -0.3236 -0.3179 -0.2991 -0.2926 1.4265 1.4269 1.9969 1.9996 2.1528 2.1567 2.5502 2.5523 2.7151 2.7188 3.8065 3.8086 3.9373 3.9384 4.4096 4.4118 10.4290 10.4389 11.2104 11.2182 11.7701 11.8086 12.0037 12.0110 k = 0.6016-0.1128 0.4082 ( 3356 PWs) bands (ev): -29.0016 -29.0016 -17.2885 -17.2885 -13.8099 -13.8032 -13.4073 -13.4061 -13.3901 -13.3896 -11.6772 -11.6446 -10.5442 -10.5419 -10.5149 -10.4868 -3.3586 -3.3578 -1.8665 -1.8551 -0.3107 -0.3044 -0.2876 -0.2822 1.4378 1.4383 1.9643 1.9669 2.1664 2.1704 2.5360 2.5379 2.6903 2.6941 3.8012 3.8031 3.9800 3.9809 4.4002 4.4022 10.4539 10.4635 11.1753 11.1831 11.7798 11.8174 11.9927 11.9997 k = 0.5938-0.1263 0.4082 ( 3354 PWs) bands (ev): -29.0016 -29.0016 -17.2876 -17.2875 -13.8118 -13.8051 -13.4094 -13.4078 -13.3912 -13.3908 -11.6742 -11.6437 -10.5420 -10.5398 -10.5133 -10.4868 -3.3527 -3.3520 -1.8813 -1.8706 -0.2986 -0.2918 -0.2762 -0.2719 1.4499 1.4504 1.9332 1.9356 2.1804 2.1845 2.5205 2.5222 2.6655 2.6693 3.7967 3.7984 4.0228 4.0237 4.3911 4.3930 10.4791 10.4882 11.1419 11.1496 11.7891 11.8256 11.9819 11.9888 k = 0.5859-0.1398 0.4082 ( 3334 PWs) bands (ev): -29.0015 -29.0015 -17.2867 -17.2867 -13.8132 -13.8068 -13.4113 -13.4096 -13.3923 -13.3920 -11.6712 -11.6428 -10.5397 -10.5378 -10.5117 -10.4869 -3.3485 -3.3479 -1.8943 -1.8844 -0.2873 -0.2803 -0.2652 -0.2618 1.4625 1.4631 1.9037 1.9060 2.1947 2.1990 2.5042 2.5057 2.6408 2.6446 3.7928 3.7945 4.0651 4.0659 4.3827 4.3844 10.5041 10.5127 11.1104 11.1180 11.7981 11.8335 11.9715 11.9783 k = 0.5781-0.1534 0.4082 ( 3338 PWs) bands (ev): -29.0015 -29.0015 -17.2860 -17.2860 -13.8144 -13.8082 -13.4132 -13.4113 -13.3934 -13.3932 -11.6684 -11.6422 -10.5375 -10.5359 -10.5102 -10.4871 -3.3457 -3.3451 -1.9056 -1.8965 -0.2767 -0.2697 -0.2548 -0.2521 1.4753 1.4760 1.8760 1.8782 2.2095 2.2138 2.4875 2.4887 2.6162 2.6201 3.7897 3.7911 4.1061 4.1068 4.3747 4.3763 10.5287 10.5367 11.0810 11.0885 11.8072 11.8412 11.9617 11.9683 k = 0.5703-0.1669 0.4082 ( 3338 PWs) bands (ev): -29.0015 -29.0015 -17.2854 -17.2854 -13.8152 -13.8094 -13.4149 -13.4130 -13.3944 -13.3942 -11.6655 -11.6417 -10.5354 -10.5340 -10.5088 -10.4875 -3.3441 -3.3436 -1.9153 -1.9070 -0.2668 -0.2601 -0.2449 -0.2427 1.4882 1.4889 1.8503 1.8523 2.2247 2.2292 2.4708 2.4718 2.5918 2.5958 3.7871 3.7884 4.1451 4.1458 4.3673 4.3688 10.5523 10.5597 11.0542 11.0615 11.8166 11.8488 11.9525 11.9589 k = 0.5625-0.1804 0.4082 ( 3330 PWs) bands (ev): -29.0015 -29.0015 -17.2848 -17.2848 -13.8158 -13.8104 -13.4164 -13.4146 -13.3953 -13.3952 -11.6628 -11.6414 -10.5334 -10.5323 -10.5074 -10.4881 -3.3434 -3.3429 -1.9235 -1.9160 -0.2577 -0.2515 -0.2359 -0.2341 1.5008 1.5016 1.8268 1.8286 2.2404 2.2449 2.4545 2.4553 2.5677 2.5717 3.7850 3.7862 4.1817 4.1824 4.3606 4.3620 10.5747 10.5813 11.0300 11.0372 11.8264 11.8567 11.9441 11.9504 k = 0.5547-0.1940 0.4082 ( 3334 PWs) bands (ev): -29.0015 -29.0015 -17.2844 -17.2844 -13.8161 -13.8112 -13.4178 -13.4160 -13.3962 -13.3961 -11.6602 -11.6413 -10.5315 -10.5307 -10.5060 -10.4888 -3.3435 -3.3430 -1.9302 -1.9237 -0.2494 -0.2438 -0.2277 -0.2261 1.5129 1.5137 1.8056 1.8071 2.2565 2.2611 2.4391 2.4395 2.5440 2.5479 3.7833 3.7844 4.2153 4.2159 4.3546 4.3558 10.5953 10.6010 11.0089 11.0158 11.8369 11.8648 11.9365 11.9429 k = 0.5469-0.2075 0.4082 ( 3334 PWs) bands (ev): -29.0015 -29.0015 -17.2840 -17.2840 -13.8163 -13.8120 -13.4190 -13.4174 -13.3969 -13.3969 -11.6577 -11.6413 -10.5299 -10.5293 -10.5046 -10.4896 -3.3440 -3.3436 -1.9358 -1.9301 -0.2419 -0.2370 -0.2204 -0.2191 1.5242 1.5249 1.7869 1.7882 2.2730 2.2778 2.4248 2.4250 2.5206 2.5245 3.7821 3.7830 4.2454 4.2460 4.3493 4.3503 10.6137 10.6185 10.9910 10.9974 11.8481 11.8730 11.9299 11.9364 k = 0.5391-0.2210 0.4082 ( 3334 PWs) bands (ev): -29.0015 -29.0015 -17.2836 -17.2836 -13.8163 -13.8126 -13.4200 -13.4186 -13.3976 -13.3976 -11.6553 -11.6416 -10.5284 -10.5280 -10.5033 -10.4905 -3.3448 -3.3445 -1.9401 -1.9354 -0.2354 -0.2313 -0.2141 -0.2130 1.5343 1.5350 1.7708 1.7719 2.2900 2.2950 2.4119 2.4122 2.4977 2.5015 3.7811 3.7819 4.2716 4.2721 4.3448 4.3456 10.6295 10.6334 10.9763 10.9821 11.8599 11.8810 11.9244 11.9313 k = 0.5312-0.2345 0.4082 ( 3334 PWs) bands (ev): -29.0015 -29.0015 -17.2834 -17.2834 -13.8162 -13.8132 -13.4209 -13.4196 -13.3982 -13.3982 -11.6531 -11.6421 -10.5272 -10.5270 -10.5019 -10.4916 -3.3457 -3.3455 -1.9434 -1.9396 -0.2299 -0.2266 -0.2088 -0.2079 1.5431 1.5437 1.7575 1.7584 2.3074 2.3125 2.4008 2.4015 2.4753 2.4790 3.7804 3.7811 4.2935 4.2940 4.3412 4.3417 10.6425 10.6455 10.9649 10.9700 11.8718 11.8882 11.9201 11.9278 k = 0.5234-0.2481 0.4082 ( 3332 PWs) bands (ev): -29.0015 -29.0015 -17.2832 -17.2832 -13.8160 -13.8137 -13.4214 -13.4205 -13.3986 -13.3986 -11.6511 -11.6428 -10.5262 -10.5261 -10.5006 -10.4927 -3.3466 -3.3464 -1.9458 -1.9429 -0.2255 -0.2230 -0.2047 -0.2040 1.5502 1.5507 1.7471 1.7477 2.3249 2.3303 2.3919 2.3933 2.4536 2.4571 3.7800 3.7804 4.3107 4.3112 4.3384 4.3387 10.6526 10.6548 10.9567 10.9607 11.8829 11.8937 11.9176 11.9260 k = 0.5156-0.2616 0.4082 ( 3340 PWs) bands (ev): -29.0015 -29.0015 -17.2830 -17.2830 -13.8157 -13.8142 -13.4218 -13.4212 -13.3989 -13.3989 -11.6492 -11.6437 -10.5255 -10.5255 -10.4992 -10.4939 -3.3473 -3.3472 -1.9473 -1.9454 -0.2222 -0.2206 -0.2016 -0.2011 1.5555 1.5559 1.7396 1.7400 2.3421 2.3476 2.3860 2.3881 2.4328 2.4358 3.7797 3.7800 4.3228 4.3233 4.3369 4.3369 10.6598 10.6612 10.9513 10.9542 11.8916 11.8970 11.9174 11.9256 k = 0.5078-0.2751 0.4082 ( 3330 PWs) bands (ev): -29.0015 -29.0015 -17.2829 -17.2829 -13.8154 -13.8146 -13.4220 -13.4216 -13.3991 -13.3991 -11.6475 -11.6447 -10.5251 -10.5251 -10.4979 -10.4952 -3.3478 -3.3477 -1.9480 -1.9470 -0.2200 -0.2192 -0.1997 -0.1995 1.5588 1.5590 1.7351 1.7353 2.3568 2.3614 2.3858 2.3880 2.4134 2.4157 3.7796 3.7797 4.3291 4.3296 4.3368 4.3370 10.6642 10.6648 10.9486 10.9500 11.8965 11.8983 11.9198 11.9251 k = 0.5000-0.2887 0.4082 ( 3338 PWs) bands (ev): -29.0015 -29.0015 -17.2829 -17.2829 -13.8150 -13.8150 -13.4219 -13.4219 -13.3992 -13.3992 -11.6460 -11.6460 -10.5250 -10.5250 -10.4965 -10.4965 -3.3479 -3.3479 -1.9479 -1.9479 -0.2190 -0.2190 -0.1990 -0.1990 1.5600 1.5600 1.7337 1.7337 2.3645 2.3645 2.3947 2.3947 2.3995 2.3995 3.7796 3.7796 4.3307 4.3307 4.3377 4.3377 10.6658 10.6658 10.9482 10.9482 11.8982 11.8982 11.9231 11.9231 Writing output data file SrSO4.save init_run : 1.03s CPU 0.59s WALL ( 1 calls) electrons : 391.83s CPU 284.32s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.12s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 391.82s CPU 284.31s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.24s CPU 0.14s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.26s CPU 0.34s WALL ( 296 calls) cegterg : 363.83s CPU 267.97s WALL ( 872 calls) Called by sum_band: Called by *egterg: h_psi : 231.66s CPU 147.29s WALL ( 14619 calls) s_psi : 7.96s CPU 5.80s WALL ( 14619 calls) g_psi : 0.34s CPU 0.26s WALL ( 13451 calls) cdiaghg : 119.98s CPU 105.30s WALL ( 13747 calls) cegterg:over : 10.44s CPU 8.00s WALL ( 13451 calls) cegterg:upda : 8.57s CPU 7.20s WALL ( 13451 calls) cegterg:last : 3.71s CPU 3.01s WALL ( 1846 calls) cdiaghg:chol : 6.37s CPU 5.75s WALL ( 13747 calls) cdiaghg:inve : 4.28s CPU 3.79s WALL ( 13747 calls) cdiaghg:para : 6.58s CPU 5.82s WALL ( 27494 calls) Called by h_psi: h_psi:vloc : 211.27s CPU 132.09s WALL ( 14619 calls) h_psi:vnl : 20.06s CPU 14.95s WALL ( 14619 calls) add_vuspsi : 10.92s CPU 7.91s WALL ( 14619 calls) General routines calbec : 9.06s CPU 7.00s WALL ( 14619 calls) fft : 0.14s CPU 0.07s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 200.12s CPU 123.60s WALL ( 1068960 calls) interpolate : 0.02s CPU 0.01s WALL ( 4 calls) davcio : 0.35s CPU 0.57s WALL ( 592 calls) Parallel routines fft_scatter : 67.66s CPU 48.72s WALL ( 1068983 calls) PWSCF : 6m45.42s CPU 5m 8.01s WALL This run was terminated on: 4:45:39 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=