Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:33:31 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), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Cs2O2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 74 73 20 1926 1884 279 Max 75 74 21 1929 1896 283 Sum 2681 2645 739 69385 68073 10103 bravais-lattice index = 14 lattice parameter (alat) = 10.1997 a.u. unit-cell volume = 704.8664 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 30.00 number of Kohn-Sham states= 38 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.199702 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.679401 celldm(5)= -0.290398 celldm(6)= -0.030201 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.030201 0.999544 0.000000 ) a(3) = ( -0.290398 -0.688485 0.664573 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.030215 0.468272 ) b(2) = ( 0.000000 1.000456 1.036455 ) b(3) = ( 0.000000 0.000000 1.504726 ) PseudoPot. # 1 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. # 2 for Cs read from file: /users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF MD5 check sum: b26d75608c6aa7e713949ad9f7a49707 Pseudo is Norm-conserving, Zval = 9.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 2414 points, 14 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 l(11) = 3 l(12) = 3 l(13) = 3 l(14) = 3 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Cs 9.00 132.90550 Cs( 1.00) 2 Sym. Ops., with 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 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 369 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027100 k( 2) = ( -0.0067887 0.0065867 0.0140723), wk = 0.0027100 k( 3) = ( -0.0135774 0.0131733 0.0281447), wk = 0.0027100 k( 4) = ( -0.0203661 0.0197600 0.0422170), wk = 0.0027100 k( 5) = ( -0.0271547 0.0263467 0.0562893), wk = 0.0027100 k( 6) = ( -0.0339434 0.0329333 0.0703617), wk = 0.0027100 k( 7) = ( -0.0407321 0.0395200 0.0844340), wk = 0.0027100 k( 8) = ( -0.0475208 0.0461067 0.0985063), wk = 0.0027100 k( 9) = ( -0.0543095 0.0526934 0.1125787), wk = 0.0027100 k( 10) = ( -0.0610982 0.0592800 0.1266510), wk = 0.0027100 k( 11) = ( -0.0678869 0.0658667 0.1407233), wk = 0.0027100 k( 12) = ( -0.0746756 0.0724534 0.1547957), wk = 0.0027100 k( 13) = ( -0.0814643 0.0790400 0.1688680), wk = 0.0027100 k( 14) = ( -0.0882529 0.0856267 0.1829403), wk = 0.0027100 k( 15) = ( -0.0950416 0.0922134 0.1970127), wk = 0.0027100 k( 16) = ( -0.1018303 0.0988000 0.2110850), wk = 0.0027100 k( 17) = ( -0.1086190 0.1053867 0.2251573), wk = 0.0027100 k( 18) = ( -0.1154077 0.1119734 0.2392297), wk = 0.0027100 k( 19) = ( -0.1221964 0.1185600 0.2533020), wk = 0.0027100 k( 20) = ( -0.1289851 0.1251467 0.2673744), wk = 0.0027100 k( 21) = ( -0.1357738 0.1317334 0.2814467), wk = 0.0027100 k( 22) = ( -0.1425625 0.1383201 0.2955190), wk = 0.0027100 k( 23) = ( -0.1493511 0.1449067 0.3095914), wk = 0.0027100 k( 24) = ( -0.1561398 0.1514934 0.3236637), wk = 0.0027100 k( 25) = ( -0.1629285 0.1580801 0.3377360), wk = 0.0027100 k( 26) = ( -0.1697172 0.1646667 0.3518084), wk = 0.0027100 k( 27) = ( -0.1765059 0.1712534 0.3658807), wk = 0.0027100 k( 28) = ( -0.1832946 0.1778401 0.3799530), wk = 0.0027100 k( 29) = ( -0.1900833 0.1844267 0.3940254), wk = 0.0027100 k( 30) = ( -0.1968720 0.1910134 0.4080977), wk = 0.0027100 k( 31) = ( -0.2036606 0.1976001 0.4221700), wk = 0.0027100 k( 32) = ( -0.2104493 0.2041867 0.4362424), wk = 0.0027100 k( 33) = ( -0.2172380 0.2107734 0.4503147), wk = 0.0027100 k( 34) = ( -0.2240267 0.2173601 0.4643870), wk = 0.0027100 k( 35) = ( -0.2308154 0.2239468 0.4784594), wk = 0.0027100 k( 36) = ( -0.2376041 0.2305334 0.4925317), wk = 0.0027100 k( 37) = ( -0.2443928 0.2371201 0.5066040), wk = 0.0027100 k( 38) = ( -0.2511815 0.2437068 0.5206764), wk = 0.0027100 k( 39) = ( -0.2579702 0.2502934 0.5347487), wk = 0.0027100 k( 40) = ( -0.2647588 0.2568801 0.5488210), wk = 0.0027100 k( 41) = ( -0.2715475 0.2634668 0.5628934), wk = 0.0027100 k( 42) = ( -0.2783362 0.2700534 0.5769657), wk = 0.0027100 k( 43) = ( -0.2851249 0.2766401 0.5910380), wk = 0.0027100 k( 44) = ( -0.2919136 0.2832268 0.6051104), wk = 0.0027100 k( 45) = ( -0.2987023 0.2898134 0.6191827), wk = 0.0027100 k( 46) = ( -0.3054910 0.2964001 0.6332550), wk = 0.0027100 k( 47) = ( -0.3122797 0.3029868 0.6473274), wk = 0.0027100 k( 48) = ( -0.3190684 0.3095735 0.6613997), wk = 0.0027100 k( 49) = ( -0.3258570 0.3161601 0.6754720), wk = 0.0027100 k( 50) = ( -0.3326457 0.3227468 0.6895444), wk = 0.0027100 k( 51) = ( -0.3326457 0.3227468 0.6895444), wk = 0.0027100 k( 52) = ( -0.3230636 0.3134498 0.6985185), wk = 0.0027100 k( 53) = ( -0.3134814 0.3041528 0.7074926), wk = 0.0027100 k( 54) = ( -0.3038993 0.2948558 0.7164667), wk = 0.0027100 k( 55) = ( -0.2943171 0.2855588 0.7254408), wk = 0.0027100 k( 56) = ( -0.2847350 0.2762618 0.7344149), wk = 0.0027100 k( 57) = ( -0.2751528 0.2669647 0.7433890), wk = 0.0027100 k( 58) = ( -0.2655706 0.2576677 0.7523631), wk = 0.0027100 k( 59) = ( -0.2655706 0.2576677 0.7523631), wk = 0.0027100 k( 60) = ( -0.2534993 0.2459556 0.7523631), wk = 0.0027100 k( 61) = ( -0.2414279 0.2342434 0.7523631), wk = 0.0027100 k( 62) = ( -0.2293565 0.2225312 0.7523631), wk = 0.0027100 k( 63) = ( -0.2172851 0.2108191 0.7523631), wk = 0.0027100 k( 64) = ( -0.2052137 0.1991069 0.7523631), wk = 0.0027100 k( 65) = ( -0.1931423 0.1873947 0.7523631), wk = 0.0027100 k( 66) = ( -0.1810709 0.1756825 0.7523631), wk = 0.0027100 k( 67) = ( -0.1689995 0.1639704 0.7523631), wk = 0.0027100 k( 68) = ( -0.1569281 0.1522582 0.7523631), wk = 0.0027100 k( 69) = ( -0.1448567 0.1405460 0.7523631), wk = 0.0027100 k( 70) = ( -0.1327853 0.1288339 0.7523631), wk = 0.0027100 k( 71) = ( -0.1207139 0.1171217 0.7523631), wk = 0.0027100 k( 72) = ( -0.1086425 0.1054095 0.7523631), wk = 0.0027100 k( 73) = ( -0.0965711 0.0936974 0.7523631), wk = 0.0027100 k( 74) = ( -0.0844997 0.0819852 0.7523631), wk = 0.0027100 k( 75) = ( -0.0724284 0.0702730 0.7523631), wk = 0.0027100 k( 76) = ( -0.0603570 0.0585608 0.7523631), wk = 0.0027100 k( 77) = ( -0.0482856 0.0468487 0.7523631), wk = 0.0027100 k( 78) = ( -0.0362142 0.0351365 0.7523631), wk = 0.0027100 k( 79) = ( -0.0241428 0.0234243 0.7523631), wk = 0.0027100 k( 80) = ( -0.0120714 0.0117122 0.7523631), wk = 0.0027100 k( 81) = ( 0.0000000 0.0000000 0.7523631), wk = 0.0027100 k( 82) = ( 0.0000000 0.0000000 0.7523631), wk = 0.0027100 k( 83) = ( 0.0119048 0.0122699 0.7523631), wk = 0.0027100 k( 84) = ( 0.0238095 0.0245398 0.7523631), wk = 0.0027100 k( 85) = ( 0.0357143 0.0368097 0.7523631), wk = 0.0027100 k( 86) = ( 0.0476191 0.0490796 0.7523631), wk = 0.0027100 k( 87) = ( 0.0595238 0.0613495 0.7523631), wk = 0.0027100 k( 88) = ( 0.0714286 0.0736194 0.7523631), wk = 0.0027100 k( 89) = ( 0.0833333 0.0858892 0.7523631), wk = 0.0027100 k( 90) = ( 0.0952381 0.0981591 0.7523631), wk = 0.0027100 k( 91) = ( 0.1071429 0.1104290 0.7523631), wk = 0.0027100 k( 92) = ( 0.1190476 0.1226989 0.7523631), wk = 0.0027100 k( 93) = ( 0.1309524 0.1349688 0.7523631), wk = 0.0027100 k( 94) = ( 0.1428571 0.1472387 0.7523631), wk = 0.0027100 k( 95) = ( 0.1547619 0.1595086 0.7523631), wk = 0.0027100 k( 96) = ( 0.1666667 0.1717785 0.7523631), wk = 0.0027100 k( 97) = ( 0.1785714 0.1840484 0.7523631), wk = 0.0027100 k( 98) = ( 0.1904762 0.1963183 0.7523631), wk = 0.0027100 k( 99) = ( 0.2023810 0.2085882 0.7523631), wk = 0.0027100 k( 100) = ( 0.2142857 0.2208581 0.7523631), wk = 0.0027100 k( 101) = ( 0.2261905 0.2331280 0.7523631), wk = 0.0027100 k( 102) = ( 0.2380952 0.2453978 0.7523631), wk = 0.0027100 k( 103) = ( 0.2500000 0.2576677 0.7523631), wk = 0.0027100 k( 104) = ( 0.2500000 0.2576677 0.7523631), wk = 0.0027100 k( 105) = ( 0.2400000 0.2673702 0.7429977), wk = 0.0027100 k( 106) = ( 0.2300000 0.2770726 0.7336322), wk = 0.0027100 k( 107) = ( 0.2200000 0.2867750 0.7242668), wk = 0.0027100 k( 108) = ( 0.2100000 0.2964774 0.7149014), wk = 0.0027100 k( 109) = ( 0.2000000 0.3061798 0.7055359), wk = 0.0027100 k( 110) = ( 0.1900000 0.3158822 0.6961705), wk = 0.0027100 k( 111) = ( 0.1800000 0.3255847 0.6868051), wk = 0.0027100 k( 112) = ( 0.1700000 0.3352871 0.6774396), wk = 0.0027100 k( 113) = ( 0.1600000 0.3449895 0.6680742), wk = 0.0027100 k( 114) = ( 0.1500000 0.3546919 0.6587088), wk = 0.0027100 k( 115) = ( 0.1400000 0.3643943 0.6493433), wk = 0.0027100 k( 116) = ( 0.1300000 0.3740967 0.6399779), wk = 0.0027100 k( 117) = ( 0.1200000 0.3837992 0.6306125), wk = 0.0027100 k( 118) = ( 0.1100000 0.3935016 0.6212470), wk = 0.0027100 k( 119) = ( 0.1000000 0.4032040 0.6118816), wk = 0.0027100 k( 120) = ( 0.0900000 0.4129064 0.6025162), wk = 0.0027100 k( 121) = ( 0.0800000 0.4226088 0.5931507), wk = 0.0027100 k( 122) = ( 0.0700000 0.4323113 0.5837853), wk = 0.0027100 k( 123) = ( 0.0600000 0.4420137 0.5744199), wk = 0.0027100 k( 124) = ( 0.0500000 0.4517161 0.5650544), wk = 0.0027100 k( 125) = ( 0.0400000 0.4614185 0.5556890), wk = 0.0027100 k( 126) = ( 0.0300000 0.4711209 0.5463236), wk = 0.0027100 k( 127) = ( 0.0200000 0.4808233 0.5369582), wk = 0.0027100 k( 128) = ( 0.0100000 0.4905258 0.5275927), wk = 0.0027100 k( 129) = ( 0.0000000 0.5002282 0.5182273), wk = 0.0027100 k( 130) = ( 0.0000000 0.5002282 0.5182273), wk = 0.0027100 k( 131) = ( 0.0133058 0.5073274 0.5113746), wk = 0.0027100 k( 132) = ( 0.0266117 0.5144267 0.5045219), wk = 0.0027100 k( 133) = ( 0.0399175 0.5215259 0.4976692), wk = 0.0027100 k( 134) = ( 0.0532233 0.5286252 0.4908165), wk = 0.0027100 k( 135) = ( 0.0665291 0.5357245 0.4839639), wk = 0.0027100 k( 136) = ( 0.0798350 0.5428237 0.4771112), wk = 0.0027100 k( 137) = ( 0.0931408 0.5499230 0.4702585), wk = 0.0027100 k( 138) = ( 0.1064466 0.5570222 0.4634058), wk = 0.0027100 k( 139) = ( 0.1197525 0.5641215 0.4565531), wk = 0.0027100 k( 140) = ( 0.1330583 0.5712207 0.4497005), wk = 0.0027100 k( 141) = ( 0.1463641 0.5783200 0.4428478), wk = 0.0027100 k( 142) = ( 0.1596700 0.5854192 0.4359951), wk = 0.0027100 k( 143) = ( 0.1729758 0.5925185 0.4291424), wk = 0.0027100 k( 144) = ( 0.1862816 0.5996178 0.4222897), wk = 0.0027100 k( 145) = ( 0.1995874 0.6067170 0.4154370), wk = 0.0027100 k( 146) = ( 0.2128933 0.6138163 0.4085843), wk = 0.0027100 k( 147) = ( 0.2261991 0.6209155 0.4017317), wk = 0.0027100 k( 148) = ( 0.2395049 0.6280148 0.3948790), wk = 0.0027100 k( 149) = ( 0.2528108 0.6351140 0.3880263), wk = 0.0027100 k( 150) = ( 0.2661166 0.6422133 0.3811736), wk = 0.0027100 k( 151) = ( 0.2794224 0.6493125 0.3743209), wk = 0.0027100 k( 152) = ( 0.2927282 0.6564118 0.3674683), wk = 0.0027100 k( 153) = ( 0.3060341 0.6635111 0.3606156), wk = 0.0027100 k( 154) = ( 0.3193399 0.6706103 0.3537629), wk = 0.0027100 k( 155) = ( 0.3326457 0.6777096 0.3469102), wk = 0.0027100 k( 156) = ( 0.3326457 0.6777096 0.3469102), wk = 0.0027100 k( 157) = ( 0.3393399 0.6712146 0.3330338), wk = 0.0027100 k( 158) = ( 0.3460341 0.6647196 0.3191574), wk = 0.0027100 k( 159) = ( 0.3527282 0.6582247 0.3052810), wk = 0.0027100 k( 160) = ( 0.3594224 0.6517297 0.2914046), wk = 0.0027100 k( 161) = ( 0.3661166 0.6452347 0.2775281), wk = 0.0027100 k( 162) = ( 0.3728108 0.6387398 0.2636517), wk = 0.0027100 k( 163) = ( 0.3795049 0.6322448 0.2497753), wk = 0.0027100 k( 164) = ( 0.3861991 0.6257499 0.2358989), wk = 0.0027100 k( 165) = ( 0.3928933 0.6192549 0.2220225), wk = 0.0027100 k( 166) = ( 0.3995874 0.6127599 0.2081461), wk = 0.0027100 k( 167) = ( 0.4062816 0.6062650 0.1942697), wk = 0.0027100 k( 168) = ( 0.4129758 0.5997700 0.1803933), wk = 0.0027100 k( 169) = ( 0.4196700 0.5932750 0.1665169), wk = 0.0027100 k( 170) = ( 0.4263641 0.5867801 0.1526405), wk = 0.0027100 k( 171) = ( 0.4330583 0.5802851 0.1387641), wk = 0.0027100 k( 172) = ( 0.4397525 0.5737901 0.1248877), wk = 0.0027100 k( 173) = ( 0.4464466 0.5672952 0.1110113), wk = 0.0027100 k( 174) = ( 0.4531408 0.5608002 0.0971348), wk = 0.0027100 k( 175) = ( 0.4598350 0.5543052 0.0832584), wk = 0.0027100 k( 176) = ( 0.4665292 0.5478103 0.0693820), wk = 0.0027100 k( 177) = ( 0.4732233 0.5413153 0.0555056), wk = 0.0027100 k( 178) = ( 0.4799175 0.5348204 0.0416292), wk = 0.0027100 k( 179) = ( 0.4866117 0.5283254 0.0277528), wk = 0.0027100 k( 180) = ( 0.4933058 0.5218304 0.0138764), wk = 0.0027100 k( 181) = ( 0.5000000 0.5153355 -0.0000000), wk = 0.0027100 k( 182) = ( 0.5000000 0.5153355 -0.0000000), wk = 0.0027100 k( 183) = ( 0.4880952 0.5030656 -0.0000000), wk = 0.0027100 k( 184) = ( 0.4761905 0.4907957 -0.0000000), wk = 0.0027100 k( 185) = ( 0.4642857 0.4785258 -0.0000000), wk = 0.0027100 k( 186) = ( 0.4523810 0.4662559 -0.0000000), wk = 0.0027100 k( 187) = ( 0.4404762 0.4539860 -0.0000000), wk = 0.0027100 k( 188) = ( 0.4285714 0.4417161 -0.0000000), wk = 0.0027100 k( 189) = ( 0.4166667 0.4294462 -0.0000000), wk = 0.0027100 k( 190) = ( 0.4047619 0.4171763 -0.0000000), wk = 0.0027100 k( 191) = ( 0.3928571 0.4049064 -0.0000000), wk = 0.0027100 k( 192) = ( 0.3809524 0.3926365 -0.0000000), wk = 0.0027100 k( 193) = ( 0.3690476 0.3803667 -0.0000000), wk = 0.0027100 k( 194) = ( 0.3571429 0.3680968 -0.0000000), wk = 0.0027100 k( 195) = ( 0.3452381 0.3558269 -0.0000000), wk = 0.0027100 k( 196) = ( 0.3333333 0.3435570 -0.0000000), wk = 0.0027100 k( 197) = ( 0.3214286 0.3312871 -0.0000000), wk = 0.0027100 k( 198) = ( 0.3095238 0.3190172 -0.0000000), wk = 0.0027100 k( 199) = ( 0.2976190 0.3067473 -0.0000000), wk = 0.0027100 k( 200) = ( 0.2857143 0.2944774 -0.0000000), wk = 0.0027100 k( 201) = ( 0.2738095 0.2822075 -0.0000000), wk = 0.0027100 k( 202) = ( 0.2619048 0.2699376 -0.0000000), wk = 0.0027100 k( 203) = ( 0.2500000 0.2576677 -0.0000000), wk = 0.0027100 k( 204) = ( 0.2380952 0.2453978 -0.0000000), wk = 0.0027100 k( 205) = ( 0.2261905 0.2331280 -0.0000000), wk = 0.0027100 k( 206) = ( 0.2142857 0.2208581 -0.0000000), wk = 0.0027100 k( 207) = ( 0.2023810 0.2085882 -0.0000000), wk = 0.0027100 k( 208) = ( 0.1904762 0.1963183 -0.0000000), wk = 0.0027100 k( 209) = ( 0.1785714 0.1840484 -0.0000000), wk = 0.0027100 k( 210) = ( 0.1666667 0.1717785 -0.0000000), wk = 0.0027100 k( 211) = ( 0.1547619 0.1595086 -0.0000000), wk = 0.0027100 k( 212) = ( 0.1428571 0.1472387 -0.0000000), wk = 0.0027100 k( 213) = ( 0.1309524 0.1349688 -0.0000000), wk = 0.0027100 k( 214) = ( 0.1190476 0.1226989 -0.0000000), wk = 0.0027100 k( 215) = ( 0.1071429 0.1104290 -0.0000000), wk = 0.0027100 k( 216) = ( 0.0952381 0.0981591 -0.0000000), wk = 0.0027100 k( 217) = ( 0.0833333 0.0858892 -0.0000000), wk = 0.0027100 k( 218) = ( 0.0714286 0.0736194 -0.0000000), wk = 0.0027100 k( 219) = ( 0.0595238 0.0613495 -0.0000000), wk = 0.0027100 k( 220) = ( 0.0476191 0.0490796 -0.0000000), wk = 0.0027100 k( 221) = ( 0.0357143 0.0368097 -0.0000000), wk = 0.0027100 k( 222) = ( 0.0238095 0.0245398 -0.0000000), wk = 0.0027100 k( 223) = ( 0.0119048 0.0122699 -0.0000000), wk = 0.0027100 k( 224) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027100 k( 225) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027100 k( 226) = ( 0.0100680 -0.0097684 0.0094291), wk = 0.0027100 k( 227) = ( 0.0201360 -0.0195368 0.0188583), wk = 0.0027100 k( 228) = ( 0.0302041 -0.0293052 0.0282874), wk = 0.0027100 k( 229) = ( 0.0402721 -0.0390737 0.0377165), wk = 0.0027100 k( 230) = ( 0.0503401 -0.0488421 0.0471457), wk = 0.0027100 k( 231) = ( 0.0604081 -0.0586105 0.0565748), wk = 0.0027100 k( 232) = ( 0.0704762 -0.0683789 0.0660040), wk = 0.0027100 k( 233) = ( 0.0805442 -0.0781473 0.0754331), wk = 0.0027100 k( 234) = ( 0.0906122 -0.0879157 0.0848622), wk = 0.0027100 k( 235) = ( 0.1006802 -0.0976841 0.0942914), wk = 0.0027100 k( 236) = ( 0.1107482 -0.1074526 0.1037205), wk = 0.0027100 k( 237) = ( 0.1208163 -0.1172210 0.1131496), wk = 0.0027100 k( 238) = ( 0.1308843 -0.1269894 0.1225788), wk = 0.0027100 k( 239) = ( 0.1409523 -0.1367578 0.1320079), wk = 0.0027100 k( 240) = ( 0.1510203 -0.1465262 0.1414371), wk = 0.0027100 k( 241) = ( 0.1610883 -0.1562946 0.1508662), wk = 0.0027100 k( 242) = ( 0.1711564 -0.1660631 0.1602953), wk = 0.0027100 k( 243) = ( 0.1812244 -0.1758315 0.1697245), wk = 0.0027100 k( 244) = ( 0.1912924 -0.1855999 0.1791536), wk = 0.0027100 k( 245) = ( 0.2013604 -0.1953683 0.1885827), wk = 0.0027100 k( 246) = ( 0.2114284 -0.2051367 0.1980119), wk = 0.0027100 k( 247) = ( 0.2214965 -0.2149051 0.2074410), wk = 0.0027100 k( 248) = ( 0.2315645 -0.2246735 0.2168702), wk = 0.0027100 k( 249) = ( 0.2416325 -0.2344420 0.2262993), wk = 0.0027100 k( 250) = ( 0.2517005 -0.2442104 0.2357284), wk = 0.0027100 k( 251) = ( 0.2617685 -0.2539788 0.2451576), wk = 0.0027100 k( 252) = ( 0.2718366 -0.2637472 0.2545867), wk = 0.0027100 k( 253) = ( 0.2819046 -0.2735156 0.2640158), wk = 0.0027100 k( 254) = ( 0.2919726 -0.2832840 0.2734450), wk = 0.0027100 k( 255) = ( 0.3020406 -0.2930524 0.2828741), wk = 0.0027100 k( 256) = ( 0.3121087 -0.3028209 0.2923033), wk = 0.0027100 k( 257) = ( 0.3221767 -0.3125893 0.3017324), wk = 0.0027100 k( 258) = ( 0.3322447 -0.3223577 0.3111615), wk = 0.0027100 k( 259) = ( 0.3423127 -0.3321261 0.3205907), wk = 0.0027100 k( 260) = ( 0.3523807 -0.3418945 0.3300198), wk = 0.0027100 k( 261) = ( 0.3624488 -0.3516629 0.3394489), wk = 0.0027100 k( 262) = ( 0.3725168 -0.3614313 0.3488781), wk = 0.0027100 k( 263) = ( 0.3825848 -0.3711998 0.3583072), wk = 0.0027100 k( 264) = ( 0.3926528 -0.3809682 0.3677364), wk = 0.0027100 k( 265) = ( 0.4027209 -0.3907366 0.3771655), wk = 0.0027100 k( 266) = ( 0.4127889 -0.4005050 0.3865946), wk = 0.0027100 k( 267) = ( 0.4228569 -0.4102734 0.3960238), wk = 0.0027100 k( 268) = ( 0.4329249 -0.4200418 0.4054529), wk = 0.0027100 k( 269) = ( 0.4329249 -0.4200418 0.4054529), wk = 0.0027100 k( 270) = ( 0.4353205 -0.4045008 0.3993344), wk = 0.0027100 k( 271) = ( 0.4377160 -0.3889598 0.3932160), wk = 0.0027100 k( 272) = ( 0.4401115 -0.3734187 0.3870975), wk = 0.0027100 k( 273) = ( 0.4425071 -0.3578777 0.3809790), wk = 0.0027100 k( 274) = ( 0.4449026 -0.3423366 0.3748606), wk = 0.0027100 k( 275) = ( 0.4472981 -0.3267956 0.3687421), wk = 0.0027100 k( 276) = ( 0.4496937 -0.3112546 0.3626236), wk = 0.0027100 k( 277) = ( 0.4520892 -0.2957135 0.3565052), wk = 0.0027100 k( 278) = ( 0.4544848 -0.2801725 0.3503867), wk = 0.0027100 k( 279) = ( 0.4568803 -0.2646314 0.3442682), wk = 0.0027100 k( 280) = ( 0.4592758 -0.2490904 0.3381498), wk = 0.0027100 k( 281) = ( 0.4616714 -0.2335493 0.3320313), wk = 0.0027100 k( 282) = ( 0.4640669 -0.2180083 0.3259128), wk = 0.0027100 k( 283) = ( 0.4664625 -0.2024673 0.3197944), wk = 0.0027100 k( 284) = ( 0.4688580 -0.1869262 0.3136759), wk = 0.0027100 k( 285) = ( 0.4712535 -0.1713852 0.3075574), wk = 0.0027100 k( 286) = ( 0.4736491 -0.1558441 0.3014390), wk = 0.0027100 k( 287) = ( 0.4760446 -0.1403031 0.2953205), wk = 0.0027100 k( 288) = ( 0.4784402 -0.1247621 0.2892020), wk = 0.0027100 k( 289) = ( 0.4808357 -0.1092210 0.2830836), wk = 0.0027100 k( 290) = ( 0.4832312 -0.0936800 0.2769651), wk = 0.0027100 k( 291) = ( 0.4856268 -0.0781389 0.2708466), wk = 0.0027100 k( 292) = ( 0.4880223 -0.0625979 0.2647282), wk = 0.0027100 k( 293) = ( 0.4904178 -0.0470569 0.2586097), wk = 0.0027100 k( 294) = ( 0.4928134 -0.0315158 0.2524912), wk = 0.0027100 k( 295) = ( 0.4952089 -0.0159748 0.2463728), wk = 0.0027100 k( 296) = ( 0.4976045 -0.0004337 0.2402543), wk = 0.0027100 k( 297) = ( 0.5000000 0.0151073 0.2341358), wk = 0.0027100 k( 298) = ( 0.5000000 0.0151073 0.2341358), wk = 0.0027100 k( 299) = ( 0.4932432 0.0216630 0.2481420), wk = 0.0027100 k( 300) = ( 0.4864865 0.0282187 0.2621481), wk = 0.0027100 k( 301) = ( 0.4797297 0.0347744 0.2761542), wk = 0.0027100 k( 302) = ( 0.4729730 0.0413300 0.2901604), wk = 0.0027100 k( 303) = ( 0.4662162 0.0478857 0.3041665), wk = 0.0027100 k( 304) = ( 0.4594595 0.0544414 0.3181727), wk = 0.0027100 k( 305) = ( 0.4527027 0.0609971 0.3321788), wk = 0.0027100 k( 306) = ( 0.4459459 0.0675528 0.3461850), wk = 0.0027100 k( 307) = ( 0.4391892 0.0741085 0.3601911), wk = 0.0027100 k( 308) = ( 0.4324324 0.0806642 0.3741973), wk = 0.0027100 k( 309) = ( 0.4256757 0.0872198 0.3882034), wk = 0.0027100 k( 310) = ( 0.4189189 0.0937755 0.4022095), wk = 0.0027100 k( 311) = ( 0.4121622 0.1003312 0.4162157), wk = 0.0027100 k( 312) = ( 0.4054054 0.1068869 0.4302218), wk = 0.0027100 k( 313) = ( 0.3986486 0.1134426 0.4442280), wk = 0.0027100 k( 314) = ( 0.3918919 0.1199983 0.4582341), wk = 0.0027100 k( 315) = ( 0.3851351 0.1265540 0.4722402), wk = 0.0027100 k( 316) = ( 0.3783784 0.1331097 0.4862464), wk = 0.0027100 k( 317) = ( 0.3716216 0.1396654 0.5002525), wk = 0.0027100 k( 318) = ( 0.3648649 0.1462210 0.5142587), wk = 0.0027100 k( 319) = ( 0.3581081 0.1527767 0.5282648), wk = 0.0027100 k( 320) = ( 0.3513514 0.1593324 0.5422710), wk = 0.0027100 k( 321) = ( 0.3445946 0.1658881 0.5562771), wk = 0.0027100 k( 322) = ( 0.3378378 0.1724438 0.5702832), wk = 0.0027100 k( 323) = ( 0.3310811 0.1789995 0.5842894), wk = 0.0027100 k( 324) = ( 0.3243243 0.1855552 0.5982955), wk = 0.0027100 k( 325) = ( 0.3175676 0.1921109 0.6123017), wk = 0.0027100 k( 326) = ( 0.3108108 0.1986665 0.6263078), wk = 0.0027100 k( 327) = ( 0.3040541 0.2052222 0.6403140), wk = 0.0027100 k( 328) = ( 0.2972973 0.2117779 0.6543201), wk = 0.0027100 k( 329) = ( 0.2905405 0.2183336 0.6683262), wk = 0.0027100 k( 330) = ( 0.2837838 0.2248893 0.6823324), wk = 0.0027100 k( 331) = ( 0.2770270 0.2314450 0.6963385), wk = 0.0027100 k( 332) = ( 0.2702703 0.2380007 0.7103447), wk = 0.0027100 k( 333) = ( 0.2635135 0.2445564 0.7243508), wk = 0.0027100 k( 334) = ( 0.2567568 0.2511120 0.7383570), wk = 0.0027100 k( 335) = ( 0.2500000 0.2576677 0.7523631), wk = 0.0027100 k( 336) = ( 0.2655706 -0.2576677 0.7523631), wk = 0.0027100 k( 337) = ( 0.2722648 -0.2641627 0.7384867), wk = 0.0027100 k( 338) = ( 0.2789590 -0.2706577 0.7246103), wk = 0.0027100 k( 339) = ( 0.2856532 -0.2771526 0.7107339), wk = 0.0027100 k( 340) = ( 0.2923473 -0.2836476 0.6968575), wk = 0.0027100 k( 341) = ( 0.2990415 -0.2901426 0.6829811), wk = 0.0027100 k( 342) = ( 0.3057357 -0.2966375 0.6691046), wk = 0.0027100 k( 343) = ( 0.3124298 -0.3031325 0.6552282), wk = 0.0027100 k( 344) = ( 0.3191240 -0.3096274 0.6413518), wk = 0.0027100 k( 345) = ( 0.3258182 -0.3161224 0.6274754), wk = 0.0027100 k( 346) = ( 0.3325124 -0.3226174 0.6135990), wk = 0.0027100 k( 347) = ( 0.3392065 -0.3291123 0.5997226), wk = 0.0027100 k( 348) = ( 0.3459007 -0.3356073 0.5858462), wk = 0.0027100 k( 349) = ( 0.3525949 -0.3421023 0.5719698), wk = 0.0027100 k( 350) = ( 0.3592890 -0.3485972 0.5580934), wk = 0.0027100 k( 351) = ( 0.3659832 -0.3550922 0.5442170), wk = 0.0027100 k( 352) = ( 0.3726774 -0.3615872 0.5303406), wk = 0.0027100 k( 353) = ( 0.3793716 -0.3680821 0.5164642), wk = 0.0027100 k( 354) = ( 0.3860657 -0.3745771 0.5025878), wk = 0.0027100 k( 355) = ( 0.3927599 -0.3810721 0.4887114), wk = 0.0027100 k( 356) = ( 0.3994541 -0.3875670 0.4748350), wk = 0.0027100 k( 357) = ( 0.4061482 -0.3940620 0.4609585), wk = 0.0027100 k( 358) = ( 0.4128424 -0.4005569 0.4470821), wk = 0.0027100 k( 359) = ( 0.4195366 -0.4070519 0.4332057), wk = 0.0027100 k( 360) = ( 0.4262307 -0.4135469 0.4193293), wk = 0.0027100 k( 361) = ( 0.4329249 -0.4200418 0.4054529), wk = 0.0027100 k( 362) = ( 0.5670751 0.4502564 0.0628187), wk = 0.0027100 k( 363) = ( 0.5574929 0.4595534 0.0538446), wk = 0.0027100 k( 364) = ( 0.5479108 0.4688504 0.0448705), wk = 0.0027100 k( 365) = ( 0.5383286 0.4781474 0.0358964), wk = 0.0027100 k( 366) = ( 0.5287465 0.4874444 0.0269223), wk = 0.0027100 k( 367) = ( 0.5191643 0.4967415 0.0179482), wk = 0.0027100 k( 368) = ( 0.5095822 0.5060385 0.0089741), wk = 0.0027100 k( 369) = ( 0.5000000 0.5153355 -0.0000000), wk = 0.0027100 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027100 k( 2) = ( -0.0067887 0.0067887 0.0067887), wk = 0.0027100 k( 3) = ( -0.0135774 0.0135774 0.0135774), wk = 0.0027100 k( 4) = ( -0.0203661 0.0203661 0.0203661), wk = 0.0027100 k( 5) = ( -0.0271547 0.0271548 0.0271547), wk = 0.0027100 k( 6) = ( -0.0339434 0.0339434 0.0339434), wk = 0.0027100 k( 7) = ( -0.0407321 0.0407321 0.0407321), wk = 0.0027100 k( 8) = ( -0.0475208 0.0475208 0.0475208), wk = 0.0027100 k( 9) = ( -0.0543095 0.0543095 0.0543095), wk = 0.0027100 k( 10) = ( -0.0610982 0.0610982 0.0610982), wk = 0.0027100 k( 11) = ( -0.0678869 0.0678869 0.0678869), wk = 0.0027100 k( 12) = ( -0.0746756 0.0746756 0.0746756), wk = 0.0027100 k( 13) = ( -0.0814643 0.0814643 0.0814643), wk = 0.0027100 k( 14) = ( -0.0882529 0.0882530 0.0882529), wk = 0.0027100 k( 15) = ( -0.0950416 0.0950416 0.0950416), wk = 0.0027100 k( 16) = ( -0.1018303 0.1018303 0.1018303), wk = 0.0027100 k( 17) = ( -0.1086190 0.1086190 0.1086190), wk = 0.0027100 k( 18) = ( -0.1154077 0.1154077 0.1154077), wk = 0.0027100 k( 19) = ( -0.1221964 0.1221964 0.1221964), wk = 0.0027100 k( 20) = ( -0.1289851 0.1289851 0.1289851), wk = 0.0027100 k( 21) = ( -0.1357738 0.1357738 0.1357738), wk = 0.0027100 k( 22) = ( -0.1425625 0.1425625 0.1425625), wk = 0.0027100 k( 23) = ( -0.1493511 0.1493512 0.1493511), wk = 0.0027100 k( 24) = ( -0.1561398 0.1561398 0.1561398), wk = 0.0027100 k( 25) = ( -0.1629285 0.1629285 0.1629285), wk = 0.0027100 k( 26) = ( -0.1697172 0.1697172 0.1697172), wk = 0.0027100 k( 27) = ( -0.1765059 0.1765059 0.1765059), wk = 0.0027100 k( 28) = ( -0.1832946 0.1832946 0.1832946), wk = 0.0027100 k( 29) = ( -0.1900833 0.1900833 0.1900833), wk = 0.0027100 k( 30) = ( -0.1968720 0.1968720 0.1968720), wk = 0.0027100 k( 31) = ( -0.2036606 0.2036606 0.2036607), wk = 0.0027100 k( 32) = ( -0.2104493 0.2104493 0.2104493), wk = 0.0027100 k( 33) = ( -0.2172380 0.2172380 0.2172380), wk = 0.0027100 k( 34) = ( -0.2240267 0.2240267 0.2240267), wk = 0.0027100 k( 35) = ( -0.2308154 0.2308154 0.2308154), wk = 0.0027100 k( 36) = ( -0.2376041 0.2376041 0.2376041), wk = 0.0027100 k( 37) = ( -0.2443928 0.2443928 0.2443928), wk = 0.0027100 k( 38) = ( -0.2511815 0.2511815 0.2511815), wk = 0.0027100 k( 39) = ( -0.2579702 0.2579702 0.2579702), wk = 0.0027100 k( 40) = ( -0.2647588 0.2647588 0.2647589), wk = 0.0027100 k( 41) = ( -0.2715475 0.2715475 0.2715475), wk = 0.0027100 k( 42) = ( -0.2783362 0.2783362 0.2783362), wk = 0.0027100 k( 43) = ( -0.2851249 0.2851249 0.2851249), wk = 0.0027100 k( 44) = ( -0.2919136 0.2919136 0.2919136), wk = 0.0027100 k( 45) = ( -0.2987023 0.2987023 0.2987023), wk = 0.0027100 k( 46) = ( -0.3054910 0.3054910 0.3054910), wk = 0.0027100 k( 47) = ( -0.3122797 0.3122797 0.3122797), wk = 0.0027100 k( 48) = ( -0.3190684 0.3190684 0.3190684), wk = 0.0027100 k( 49) = ( -0.3258570 0.3258570 0.3258570), wk = 0.0027100 k( 50) = ( -0.3326457 0.3326457 0.3326457), wk = 0.0027100 k( 51) = ( -0.3326457 0.3326457 0.3326457), wk = 0.0027100 k( 52) = ( -0.3230636 0.3230636 0.3422279), wk = 0.0027100 k( 53) = ( -0.3134814 0.3134814 0.3518100), wk = 0.0027100 k( 54) = ( -0.3038993 0.3038993 0.3613922), wk = 0.0027100 k( 55) = ( -0.2943171 0.2943171 0.3709744), wk = 0.0027100 k( 56) = ( -0.2847350 0.2847350 0.3805565), wk = 0.0027100 k( 57) = ( -0.2751528 0.2751528 0.3901387), wk = 0.0027100 k( 58) = ( -0.2655706 0.2655706 0.3997208), wk = 0.0027100 k( 59) = ( -0.2655706 0.2655706 0.3997208), wk = 0.0027100 k( 60) = ( -0.2534993 0.2534993 0.4042790), wk = 0.0027100 k( 61) = ( -0.2414279 0.2414279 0.4088371), wk = 0.0027100 k( 62) = ( -0.2293565 0.2293565 0.4133952), wk = 0.0027100 k( 63) = ( -0.2172851 0.2172851 0.4179534), wk = 0.0027100 k( 64) = ( -0.2052137 0.2052137 0.4225115), wk = 0.0027100 k( 65) = ( -0.1931423 0.1931423 0.4270697), wk = 0.0027100 k( 66) = ( -0.1810709 0.1810709 0.4316278), wk = 0.0027100 k( 67) = ( -0.1689995 0.1689995 0.4361860), wk = 0.0027100 k( 68) = ( -0.1569281 0.1569281 0.4407441), wk = 0.0027100 k( 69) = ( -0.1448567 0.1448567 0.4453023), wk = 0.0027100 k( 70) = ( -0.1327853 0.1327853 0.4498604), wk = 0.0027100 k( 71) = ( -0.1207139 0.1207139 0.4544185), wk = 0.0027100 k( 72) = ( -0.1086425 0.1086425 0.4589767), wk = 0.0027100 k( 73) = ( -0.0965711 0.0965711 0.4635348), wk = 0.0027100 k( 74) = ( -0.0844997 0.0844998 0.4680930), wk = 0.0027100 k( 75) = ( -0.0724284 0.0724284 0.4726511), wk = 0.0027100 k( 76) = ( -0.0603570 0.0603570 0.4772093), wk = 0.0027100 k( 77) = ( -0.0482856 0.0482856 0.4817674), wk = 0.0027100 k( 78) = ( -0.0362142 0.0362142 0.4863256), wk = 0.0027100 k( 79) = ( -0.0241428 0.0241428 0.4908837), wk = 0.0027100 k( 80) = ( -0.0120714 0.0120714 0.4954419), wk = 0.0027100 k( 81) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027100 k( 82) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027100 k( 83) = ( 0.0119048 0.0119048 0.4880952), wk = 0.0027100 k( 84) = ( 0.0238095 0.0238095 0.4761905), wk = 0.0027100 k( 85) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0027100 k( 86) = ( 0.0476191 0.0476191 0.4523810), wk = 0.0027100 k( 87) = ( 0.0595238 0.0595238 0.4404762), wk = 0.0027100 k( 88) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0027100 k( 89) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0027100 k( 90) = ( 0.0952381 0.0952381 0.4047619), wk = 0.0027100 k( 91) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0027100 k( 92) = ( 0.1190476 0.1190476 0.3809524), wk = 0.0027100 k( 93) = ( 0.1309524 0.1309524 0.3690476), wk = 0.0027100 k( 94) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0027100 k( 95) = ( 0.1547619 0.1547619 0.3452381), wk = 0.0027100 k( 96) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0027100 k( 97) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0027100 k( 98) = ( 0.1904762 0.1904762 0.3095238), wk = 0.0027100 k( 99) = ( 0.2023810 0.2023810 0.2976191), wk = 0.0027100 k( 100) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0027100 k( 101) = ( 0.2261905 0.2261905 0.2738095), wk = 0.0027100 k( 102) = ( 0.2380952 0.2380952 0.2619048), wk = 0.0027100 k( 103) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027100 k( 104) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027100 k( 105) = ( 0.2400000 0.2600000 0.2400000), wk = 0.0027100 k( 106) = ( 0.2300000 0.2700000 0.2300000), wk = 0.0027100 k( 107) = ( 0.2200000 0.2800000 0.2200000), wk = 0.0027100 k( 108) = ( 0.2100000 0.2900000 0.2100000), wk = 0.0027100 k( 109) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0027100 k( 110) = ( 0.1900000 0.3100000 0.1900000), wk = 0.0027100 k( 111) = ( 0.1800000 0.3200000 0.1800000), wk = 0.0027100 k( 112) = ( 0.1700000 0.3300000 0.1700000), wk = 0.0027100 k( 113) = ( 0.1600000 0.3400000 0.1600000), wk = 0.0027100 k( 114) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0027100 k( 115) = ( 0.1400000 0.3600000 0.1400000), wk = 0.0027100 k( 116) = ( 0.1300000 0.3700000 0.1300000), wk = 0.0027100 k( 117) = ( 0.1200000 0.3800000 0.1200000), wk = 0.0027100 k( 118) = ( 0.1100000 0.3900000 0.1100000), wk = 0.0027100 k( 119) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0027100 k( 120) = ( 0.0900000 0.4100000 0.0900000), wk = 0.0027100 k( 121) = ( 0.0800000 0.4200000 0.0800000), wk = 0.0027100 k( 122) = ( 0.0700000 0.4300000 0.0700000), wk = 0.0027100 k( 123) = ( 0.0600000 0.4400000 0.0600000), wk = 0.0027100 k( 124) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0027100 k( 125) = ( 0.0400000 0.4600000 0.0400000), wk = 0.0027100 k( 126) = ( 0.0300000 0.4700000 0.0300000), wk = 0.0027100 k( 127) = ( 0.0200000 0.4800000 0.0200000), wk = 0.0027100 k( 128) = ( 0.0100000 0.4900000 0.0100000), wk = 0.0027100 k( 129) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027100 k( 130) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027100 k( 131) = ( 0.0133058 0.5066942 -0.0133058), wk = 0.0027100 k( 132) = ( 0.0266117 0.5133883 -0.0266117), wk = 0.0027100 k( 133) = ( 0.0399175 0.5200825 -0.0399175), wk = 0.0027100 k( 134) = ( 0.0532233 0.5267767 -0.0532233), wk = 0.0027100 k( 135) = ( 0.0665291 0.5334709 -0.0665292), wk = 0.0027100 k( 136) = ( 0.0798350 0.5401650 -0.0798350), wk = 0.0027100 k( 137) = ( 0.0931408 0.5468592 -0.0931408), wk = 0.0027100 k( 138) = ( 0.1064466 0.5535534 -0.1064466), wk = 0.0027100 k( 139) = ( 0.1197525 0.5602475 -0.1197525), wk = 0.0027100 k( 140) = ( 0.1330583 0.5669417 -0.1330583), wk = 0.0027100 k( 141) = ( 0.1463641 0.5736359 -0.1463641), wk = 0.0027100 k( 142) = ( 0.1596700 0.5803301 -0.1596700), wk = 0.0027100 k( 143) = ( 0.1729758 0.5870242 -0.1729758), wk = 0.0027100 k( 144) = ( 0.1862816 0.5937184 -0.1862816), wk = 0.0027100 k( 145) = ( 0.1995874 0.6004126 -0.1995874), wk = 0.0027100 k( 146) = ( 0.2128933 0.6071067 -0.2128933), wk = 0.0027100 k( 147) = ( 0.2261991 0.6138009 -0.2261991), wk = 0.0027100 k( 148) = ( 0.2395049 0.6204951 -0.2395049), wk = 0.0027100 k( 149) = ( 0.2528108 0.6271892 -0.2528108), wk = 0.0027100 k( 150) = ( 0.2661166 0.6338834 -0.2661166), wk = 0.0027100 k( 151) = ( 0.2794224 0.6405776 -0.2794224), wk = 0.0027100 k( 152) = ( 0.2927282 0.6472718 -0.2927282), wk = 0.0027100 k( 153) = ( 0.3060341 0.6539659 -0.3060341), wk = 0.0027100 k( 154) = ( 0.3193399 0.6606601 -0.3193399), wk = 0.0027100 k( 155) = ( 0.3326457 0.6673543 -0.3326457), wk = 0.0027100 k( 156) = ( 0.3326457 0.6673543 -0.3326457), wk = 0.0027100 k( 157) = ( 0.3393399 0.6606601 -0.3393399), wk = 0.0027100 k( 158) = ( 0.3460341 0.6539659 -0.3460341), wk = 0.0027100 k( 159) = ( 0.3527282 0.6472718 -0.3527282), wk = 0.0027100 k( 160) = ( 0.3594224 0.6405776 -0.3594224), wk = 0.0027100 k( 161) = ( 0.3661166 0.6338834 -0.3661166), wk = 0.0027100 k( 162) = ( 0.3728108 0.6271892 -0.3728108), wk = 0.0027100 k( 163) = ( 0.3795049 0.6204951 -0.3795049), wk = 0.0027100 k( 164) = ( 0.3861991 0.6138009 -0.3861991), wk = 0.0027100 k( 165) = ( 0.3928933 0.6071067 -0.3928933), wk = 0.0027100 k( 166) = ( 0.3995874 0.6004126 -0.3995874), wk = 0.0027100 k( 167) = ( 0.4062816 0.5937184 -0.4062816), wk = 0.0027100 k( 168) = ( 0.4129758 0.5870242 -0.4129758), wk = 0.0027100 k( 169) = ( 0.4196700 0.5803301 -0.4196700), wk = 0.0027100 k( 170) = ( 0.4263641 0.5736359 -0.4263641), wk = 0.0027100 k( 171) = ( 0.4330583 0.5669417 -0.4330583), wk = 0.0027100 k( 172) = ( 0.4397525 0.5602475 -0.4397525), wk = 0.0027100 k( 173) = ( 0.4464466 0.5535534 -0.4464466), wk = 0.0027100 k( 174) = ( 0.4531408 0.5468592 -0.4531408), wk = 0.0027100 k( 175) = ( 0.4598350 0.5401650 -0.4598350), wk = 0.0027100 k( 176) = ( 0.4665292 0.5334709 -0.4665292), wk = 0.0027100 k( 177) = ( 0.4732233 0.5267767 -0.4732233), wk = 0.0027100 k( 178) = ( 0.4799175 0.5200825 -0.4799175), wk = 0.0027100 k( 179) = ( 0.4866117 0.5133883 -0.4866117), wk = 0.0027100 k( 180) = ( 0.4933058 0.5066942 -0.4933058), wk = 0.0027100 k( 181) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027100 k( 182) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027100 k( 183) = ( 0.4880952 0.4880952 -0.4880952), wk = 0.0027100 k( 184) = ( 0.4761905 0.4761905 -0.4761905), wk = 0.0027100 k( 185) = ( 0.4642857 0.4642857 -0.4642857), wk = 0.0027100 k( 186) = ( 0.4523810 0.4523810 -0.4523810), wk = 0.0027100 k( 187) = ( 0.4404762 0.4404762 -0.4404762), wk = 0.0027100 k( 188) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0027100 k( 189) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0027100 k( 190) = ( 0.4047619 0.4047619 -0.4047619), wk = 0.0027100 k( 191) = ( 0.3928571 0.3928571 -0.3928571), wk = 0.0027100 k( 192) = ( 0.3809524 0.3809524 -0.3809524), wk = 0.0027100 k( 193) = ( 0.3690476 0.3690476 -0.3690476), wk = 0.0027100 k( 194) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0027100 k( 195) = ( 0.3452381 0.3452381 -0.3452381), wk = 0.0027100 k( 196) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0027100 k( 197) = ( 0.3214286 0.3214286 -0.3214286), wk = 0.0027100 k( 198) = ( 0.3095238 0.3095238 -0.3095238), wk = 0.0027100 k( 199) = ( 0.2976190 0.2976191 -0.2976190), wk = 0.0027100 k( 200) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0027100 k( 201) = ( 0.2738095 0.2738095 -0.2738095), wk = 0.0027100 k( 202) = ( 0.2619048 0.2619048 -0.2619048), wk = 0.0027100 k( 203) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0027100 k( 204) = ( 0.2380952 0.2380952 -0.2380952), wk = 0.0027100 k( 205) = ( 0.2261905 0.2261905 -0.2261905), wk = 0.0027100 k( 206) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0027100 k( 207) = ( 0.2023810 0.2023810 -0.2023809), wk = 0.0027100 k( 208) = ( 0.1904762 0.1904762 -0.1904762), wk = 0.0027100 k( 209) = ( 0.1785714 0.1785714 -0.1785714), wk = 0.0027100 k( 210) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0027100 k( 211) = ( 0.1547619 0.1547619 -0.1547619), wk = 0.0027100 k( 212) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0027100 k( 213) = ( 0.1309524 0.1309524 -0.1309524), wk = 0.0027100 k( 214) = ( 0.1190476 0.1190476 -0.1190476), wk = 0.0027100 k( 215) = ( 0.1071429 0.1071429 -0.1071429), wk = 0.0027100 k( 216) = ( 0.0952381 0.0952381 -0.0952381), wk = 0.0027100 k( 217) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0027100 k( 218) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0027100 k( 219) = ( 0.0595238 0.0595238 -0.0595238), wk = 0.0027100 k( 220) = ( 0.0476191 0.0476191 -0.0476191), wk = 0.0027100 k( 221) = ( 0.0357143 0.0357143 -0.0357143), wk = 0.0027100 k( 222) = ( 0.0238095 0.0238095 -0.0238095), wk = 0.0027100 k( 223) = ( 0.0119048 0.0119048 -0.0119048), wk = 0.0027100 k( 224) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027100 k( 225) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027100 k( 226) = ( 0.0100680 -0.0100680 0.0100680), wk = 0.0027100 k( 227) = ( 0.0201360 -0.0201360 0.0201360), wk = 0.0027100 k( 228) = ( 0.0302041 -0.0302041 0.0302041), wk = 0.0027100 k( 229) = ( 0.0402721 -0.0402721 0.0402721), wk = 0.0027100 k( 230) = ( 0.0503401 -0.0503401 0.0503401), wk = 0.0027100 k( 231) = ( 0.0604081 -0.0604081 0.0604081), wk = 0.0027100 k( 232) = ( 0.0704762 -0.0704762 0.0704762), wk = 0.0027100 k( 233) = ( 0.0805442 -0.0805442 0.0805442), wk = 0.0027100 k( 234) = ( 0.0906122 -0.0906122 0.0906122), wk = 0.0027100 k( 235) = ( 0.1006802 -0.1006802 0.1006802), wk = 0.0027100 k( 236) = ( 0.1107482 -0.1107482 0.1107482), wk = 0.0027100 k( 237) = ( 0.1208163 -0.1208163 0.1208163), wk = 0.0027100 k( 238) = ( 0.1308843 -0.1308843 0.1308843), wk = 0.0027100 k( 239) = ( 0.1409523 -0.1409523 0.1409523), wk = 0.0027100 k( 240) = ( 0.1510203 -0.1510203 0.1510203), wk = 0.0027100 k( 241) = ( 0.1610883 -0.1610883 0.1610883), wk = 0.0027100 k( 242) = ( 0.1711564 -0.1711564 0.1711564), wk = 0.0027100 k( 243) = ( 0.1812244 -0.1812244 0.1812244), wk = 0.0027100 k( 244) = ( 0.1912924 -0.1912924 0.1912924), wk = 0.0027100 k( 245) = ( 0.2013604 -0.2013604 0.2013604), wk = 0.0027100 k( 246) = ( 0.2114284 -0.2114285 0.2114284), wk = 0.0027100 k( 247) = ( 0.2214965 -0.2214965 0.2214965), wk = 0.0027100 k( 248) = ( 0.2315645 -0.2315645 0.2315645), wk = 0.0027100 k( 249) = ( 0.2416325 -0.2416325 0.2416325), wk = 0.0027100 k( 250) = ( 0.2517005 -0.2517005 0.2517005), wk = 0.0027100 k( 251) = ( 0.2617685 -0.2617686 0.2617686), wk = 0.0027100 k( 252) = ( 0.2718366 -0.2718366 0.2718366), wk = 0.0027100 k( 253) = ( 0.2819046 -0.2819046 0.2819046), wk = 0.0027100 k( 254) = ( 0.2919726 -0.2919726 0.2919726), wk = 0.0027100 k( 255) = ( 0.3020406 -0.3020406 0.3020406), wk = 0.0027100 k( 256) = ( 0.3121087 -0.3121087 0.3121087), wk = 0.0027100 k( 257) = ( 0.3221767 -0.3221767 0.3221767), wk = 0.0027100 k( 258) = ( 0.3322447 -0.3322447 0.3322447), wk = 0.0027100 k( 259) = ( 0.3423127 -0.3423127 0.3423127), wk = 0.0027100 k( 260) = ( 0.3523807 -0.3523807 0.3523807), wk = 0.0027100 k( 261) = ( 0.3624488 -0.3624488 0.3624488), wk = 0.0027100 k( 262) = ( 0.3725168 -0.3725168 0.3725168), wk = 0.0027100 k( 263) = ( 0.3825848 -0.3825848 0.3825848), wk = 0.0027100 k( 264) = ( 0.3926528 -0.3926528 0.3926528), wk = 0.0027100 k( 265) = ( 0.4027209 -0.4027209 0.4027209), wk = 0.0027100 k( 266) = ( 0.4127889 -0.4127889 0.4127889), wk = 0.0027100 k( 267) = ( 0.4228569 -0.4228569 0.4228569), wk = 0.0027100 k( 268) = ( 0.4329249 -0.4329249 0.4329249), wk = 0.0027100 k( 269) = ( 0.4329249 -0.4329249 0.4329249), wk = 0.0027100 k( 270) = ( 0.4353205 -0.4174633 0.4174633), wk = 0.0027100 k( 271) = ( 0.4377160 -0.4020017 0.4020017), wk = 0.0027100 k( 272) = ( 0.4401115 -0.3865401 0.3865401), wk = 0.0027100 k( 273) = ( 0.4425071 -0.3710785 0.3710785), wk = 0.0027100 k( 274) = ( 0.4449026 -0.3556169 0.3556169), wk = 0.0027100 k( 275) = ( 0.4472981 -0.3401553 0.3401553), wk = 0.0027100 k( 276) = ( 0.4496937 -0.3246937 0.3246937), wk = 0.0027100 k( 277) = ( 0.4520892 -0.3092321 0.3092321), wk = 0.0027100 k( 278) = ( 0.4544848 -0.2937705 0.2937705), wk = 0.0027100 k( 279) = ( 0.4568803 -0.2783089 0.2783089), wk = 0.0027100 k( 280) = ( 0.4592758 -0.2628473 0.2628473), wk = 0.0027100 k( 281) = ( 0.4616714 -0.2473857 0.2473857), wk = 0.0027100 k( 282) = ( 0.4640669 -0.2319241 0.2319241), wk = 0.0027100 k( 283) = ( 0.4664625 -0.2164625 0.2164625), wk = 0.0027100 k( 284) = ( 0.4688580 -0.2010009 0.2010009), wk = 0.0027100 k( 285) = ( 0.4712535 -0.1855393 0.1855392), wk = 0.0027100 k( 286) = ( 0.4736491 -0.1700776 0.1700776), wk = 0.0027100 k( 287) = ( 0.4760446 -0.1546160 0.1546160), wk = 0.0027100 k( 288) = ( 0.4784402 -0.1391544 0.1391544), wk = 0.0027100 k( 289) = ( 0.4808357 -0.1236928 0.1236928), wk = 0.0027100 k( 290) = ( 0.4832312 -0.1082312 0.1082312), wk = 0.0027100 k( 291) = ( 0.4856268 -0.0927696 0.0927696), wk = 0.0027100 k( 292) = ( 0.4880223 -0.0773080 0.0773080), wk = 0.0027100 k( 293) = ( 0.4904178 -0.0618464 0.0618464), wk = 0.0027100 k( 294) = ( 0.4928134 -0.0463848 0.0463848), wk = 0.0027100 k( 295) = ( 0.4952089 -0.0309232 0.0309232), wk = 0.0027100 k( 296) = ( 0.4976045 -0.0154616 0.0154616), wk = 0.0027100 k( 297) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027100 k( 298) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027100 k( 299) = ( 0.4932432 0.0067568 0.0067568), wk = 0.0027100 k( 300) = ( 0.4864865 0.0135135 0.0135135), wk = 0.0027100 k( 301) = ( 0.4797297 0.0202703 0.0202703), wk = 0.0027100 k( 302) = ( 0.4729730 0.0270270 0.0270270), wk = 0.0027100 k( 303) = ( 0.4662162 0.0337838 0.0337838), wk = 0.0027100 k( 304) = ( 0.4594595 0.0405405 0.0405405), wk = 0.0027100 k( 305) = ( 0.4527027 0.0472973 0.0472973), wk = 0.0027100 k( 306) = ( 0.4459459 0.0540540 0.0540541), wk = 0.0027100 k( 307) = ( 0.4391892 0.0608108 0.0608108), wk = 0.0027100 k( 308) = ( 0.4324324 0.0675676 0.0675676), wk = 0.0027100 k( 309) = ( 0.4256757 0.0743243 0.0743243), wk = 0.0027100 k( 310) = ( 0.4189189 0.0810811 0.0810811), wk = 0.0027100 k( 311) = ( 0.4121622 0.0878378 0.0878378), wk = 0.0027100 k( 312) = ( 0.4054054 0.0945946 0.0945946), wk = 0.0027100 k( 313) = ( 0.3986486 0.1013514 0.1013514), wk = 0.0027100 k( 314) = ( 0.3918919 0.1081081 0.1081081), wk = 0.0027100 k( 315) = ( 0.3851351 0.1148649 0.1148649), wk = 0.0027100 k( 316) = ( 0.3783784 0.1216216 0.1216216), wk = 0.0027100 k( 317) = ( 0.3716216 0.1283784 0.1283784), wk = 0.0027100 k( 318) = ( 0.3648649 0.1351351 0.1351351), wk = 0.0027100 k( 319) = ( 0.3581081 0.1418919 0.1418919), wk = 0.0027100 k( 320) = ( 0.3513514 0.1486487 0.1486487), wk = 0.0027100 k( 321) = ( 0.3445946 0.1554054 0.1554054), wk = 0.0027100 k( 322) = ( 0.3378378 0.1621622 0.1621622), wk = 0.0027100 k( 323) = ( 0.3310811 0.1689189 0.1689189), wk = 0.0027100 k( 324) = ( 0.3243243 0.1756757 0.1756757), wk = 0.0027100 k( 325) = ( 0.3175676 0.1824324 0.1824324), wk = 0.0027100 k( 326) = ( 0.3108108 0.1891892 0.1891892), wk = 0.0027100 k( 327) = ( 0.3040541 0.1959460 0.1959460), wk = 0.0027100 k( 328) = ( 0.2972973 0.2027027 0.2027027), wk = 0.0027100 k( 329) = ( 0.2905405 0.2094595 0.2094595), wk = 0.0027100 k( 330) = ( 0.2837838 0.2162162 0.2162162), wk = 0.0027100 k( 331) = ( 0.2770270 0.2229730 0.2229730), wk = 0.0027100 k( 332) = ( 0.2702703 0.2297297 0.2297297), wk = 0.0027100 k( 333) = ( 0.2635135 0.2364865 0.2364865), wk = 0.0027100 k( 334) = ( 0.2567568 0.2432432 0.2432432), wk = 0.0027100 k( 335) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027100 k( 336) = ( 0.2655706 -0.2655706 0.6002792), wk = 0.0027100 k( 337) = ( 0.2722648 -0.2722648 0.5935850), wk = 0.0027100 k( 338) = ( 0.2789590 -0.2789590 0.5868908), wk = 0.0027100 k( 339) = ( 0.2856532 -0.2856532 0.5801967), wk = 0.0027100 k( 340) = ( 0.2923473 -0.2923473 0.5735025), wk = 0.0027100 k( 341) = ( 0.2990415 -0.2990415 0.5668083), wk = 0.0027100 k( 342) = ( 0.3057357 -0.3057357 0.5601141), wk = 0.0027100 k( 343) = ( 0.3124298 -0.3124298 0.5534200), wk = 0.0027100 k( 344) = ( 0.3191240 -0.3191240 0.5467258), wk = 0.0027100 k( 345) = ( 0.3258182 -0.3258182 0.5400316), wk = 0.0027100 k( 346) = ( 0.3325124 -0.3325124 0.5333375), wk = 0.0027100 k( 347) = ( 0.3392065 -0.3392065 0.5266433), wk = 0.0027100 k( 348) = ( 0.3459007 -0.3459007 0.5199491), wk = 0.0027100 k( 349) = ( 0.3525949 -0.3525949 0.5132550), wk = 0.0027100 k( 350) = ( 0.3592890 -0.3592890 0.5065608), wk = 0.0027100 k( 351) = ( 0.3659832 -0.3659832 0.4998666), wk = 0.0027100 k( 352) = ( 0.3726774 -0.3726774 0.4931724), wk = 0.0027100 k( 353) = ( 0.3793716 -0.3793716 0.4864783), wk = 0.0027100 k( 354) = ( 0.3860657 -0.3860657 0.4797841), wk = 0.0027100 k( 355) = ( 0.3927599 -0.3927599 0.4730899), wk = 0.0027100 k( 356) = ( 0.3994541 -0.3994541 0.4663958), wk = 0.0027100 k( 357) = ( 0.4061482 -0.4061482 0.4597016), wk = 0.0027100 k( 358) = ( 0.4128424 -0.4128424 0.4530074), wk = 0.0027100 k( 359) = ( 0.4195366 -0.4195366 0.4463133), wk = 0.0027100 k( 360) = ( 0.4262307 -0.4262307 0.4396191), wk = 0.0027100 k( 361) = ( 0.4329249 -0.4329249 0.4329249), wk = 0.0027100 k( 362) = ( 0.5670751 0.4329249 -0.4329249), wk = 0.0027100 k( 363) = ( 0.5574929 0.4425071 -0.4425071), wk = 0.0027100 k( 364) = ( 0.5479108 0.4520892 -0.4520892), wk = 0.0027100 k( 365) = ( 0.5383286 0.4616714 -0.4616714), wk = 0.0027100 k( 366) = ( 0.5287465 0.4712535 -0.4712535), wk = 0.0027100 k( 367) = ( 0.5191643 0.4808357 -0.4808357), wk = 0.0027100 k( 368) = ( 0.5095822 0.4904178 -0.4904178), wk = 0.0027100 k( 369) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027100 Dense grid: 69385 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 68073 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.29 Mb ( 498, 38) NL pseudopotentials 0.58 Mb ( 249, 152) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1927) G-vector shells 0.01 Mb ( 1739) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.16 Mb ( 498, 152) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.18 Mb ( 152, 2, 38) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./Cs2O2.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.3 secs Computing kpt #: 2 total cpu time spent up to now is 3.0 secs Computing kpt #: 3 total cpu time spent up to now is 3.8 secs Computing kpt #: 4 total cpu time spent up to now is 4.5 secs Computing kpt #: 5 total cpu time spent up to now is 5.2 secs Computing kpt #: 6 total cpu time spent up to now is 5.9 secs Computing kpt #: 7 total cpu time spent up to now is 6.6 secs Computing kpt #: 8 total cpu time spent up to now is 7.4 secs Computing kpt #: 9 total cpu time spent up to now is 8.2 secs Computing kpt #: 10 total cpu time spent up to now is 9.0 secs Computing kpt #: 11 total cpu time spent up to now is 9.9 secs Computing kpt #: 12 total cpu time spent up to now is 10.9 secs Computing kpt #: 13 total cpu time spent up to now is 11.9 secs Computing kpt #: 14 total cpu time spent up to now is 12.9 secs Computing kpt #: 15 total cpu time spent up to now is 14.1 secs Computing kpt #: 16 total cpu time spent up to now is 15.5 secs Computing kpt #: 17 total cpu time spent up to now is 16.7 secs Computing kpt #: 18 total cpu time spent up to now is 17.6 secs Computing kpt #: 19 total cpu time spent up to now is 18.5 secs Computing kpt #: 20 total cpu time spent up to now is 19.3 secs Computing kpt #: 21 total cpu time spent up to now is 20.1 secs Computing kpt #: 22 total cpu time spent up to now is 20.9 secs Computing kpt #: 23 total cpu time spent up to now is 21.6 secs Computing kpt #: 24 total cpu time spent up to now is 22.3 secs Computing kpt #: 25 total cpu time spent up to now is 23.0 secs Computing kpt #: 26 total cpu time spent up to now is 23.7 secs Computing kpt #: 27 total cpu time spent up to now is 24.4 secs Computing kpt #: 28 total cpu time spent up to now is 25.1 secs Computing kpt #: 29 total cpu time spent up to now is 25.8 secs Computing kpt #: 30 total cpu time spent up to now is 26.5 secs Computing kpt #: 31 total cpu time spent up to now is 27.2 secs Computing kpt #: 32 total cpu time spent up to now is 27.9 secs Computing kpt #: 33 total cpu time spent up to now is 28.6 secs Computing kpt #: 34 total cpu time spent up to now is 29.3 secs Computing kpt #: 35 total cpu time spent up to now is 30.0 secs Computing kpt #: 36 total cpu time spent up to now is 30.7 secs Computing kpt #: 37 total cpu time spent up to now is 31.4 secs Computing kpt #: 38 total cpu time spent up to now is 32.1 secs Computing kpt #: 39 total cpu time spent up to now is 32.8 secs Computing kpt #: 40 total cpu time spent up to now is 33.6 secs Computing kpt #: 41 total cpu time spent up to now is 34.4 secs Computing kpt #: 42 total cpu time spent up to now is 35.2 secs Computing kpt #: 43 total cpu time spent up to now is 36.1 secs Computing kpt #: 44 total cpu time spent up to now is 37.1 secs Computing kpt #: 45 total cpu time spent up to now is 38.2 secs Computing kpt #: 46 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 39.9 secs Computing kpt #: 47 total cpu time spent up to now is 41.0 secs Computing kpt #: 48 total cpu time spent up to now is 42.2 secs Computing kpt #: 49 total cpu time spent up to now is 43.3 secs Computing kpt #: 50 total cpu time spent up to now is 44.4 secs Computing kpt #: 51 total cpu time spent up to now is 45.4 secs Computing kpt #: 52 total cpu time spent up to now is 46.4 secs Computing kpt #: 53 total cpu time spent up to now is 47.3 secs Computing kpt #: 54 total cpu time spent up to now is 48.1 secs Computing kpt #: 55 total cpu time spent up to now is 48.9 secs Computing kpt #: 56 total cpu time spent up to now is 49.7 secs Computing kpt #: 57 total cpu time spent up to now is 50.5 secs Computing kpt #: 58 total cpu time spent up to now is 51.3 secs Computing kpt #: 59 total cpu time spent up to now is 52.2 secs Computing kpt #: 60 total cpu time spent up to now is 53.0 secs Computing kpt #: 61 total cpu time spent up to now is 53.9 secs Computing kpt #: 62 total cpu time spent up to now is 54.8 secs Computing kpt #: 63 total cpu time spent up to now is 55.7 secs Computing kpt #: 64 total cpu time spent up to now is 56.6 secs Computing kpt #: 65 total cpu time spent up to now is 57.4 secs Computing kpt #: 66 total cpu time spent up to now is 58.2 secs Computing kpt #: 67 total cpu time spent up to now is 59.0 secs Computing kpt #: 68 total cpu time spent up to now is 59.8 secs Computing kpt #: 69 total cpu time spent up to now is 60.5 secs Computing kpt #: 70 total cpu time spent up to now is 61.3 secs Computing kpt #: 71 total cpu time spent up to now is 62.0 secs Computing kpt #: 72 total cpu time spent up to now is 62.8 secs Computing kpt #: 73 total cpu time spent up to now is 63.5 secs Computing kpt #: 74 total cpu time spent up to now is 64.2 secs Computing kpt #: 75 total cpu time spent up to now is 64.9 secs Computing kpt #: 76 total cpu time spent up to now is 65.6 secs Computing kpt #: 77 total cpu time spent up to now is 66.3 secs Computing kpt #: 78 total cpu time spent up to now is 67.0 secs Computing kpt #: 79 total cpu time spent up to now is 67.7 secs Computing kpt #: 80 total cpu time spent up to now is 68.4 secs Computing kpt #: 81 total cpu time spent up to now is 69.1 secs Computing kpt #: 82 total cpu time spent up to now is 69.8 secs Computing kpt #: 83 total cpu time spent up to now is 70.5 secs Computing kpt #: 84 total cpu time spent up to now is 71.2 secs Computing kpt #: 85 total cpu time spent up to now is 71.9 secs Computing kpt #: 86 total cpu time spent up to now is 72.7 secs Computing kpt #: 87 total cpu time spent up to now is 73.4 secs Computing kpt #: 88 total cpu time spent up to now is 74.1 secs Computing kpt #: 89 total cpu time spent up to now is 74.8 secs Computing kpt #: 90 total cpu time spent up to now is 75.5 secs Computing kpt #: 91 total cpu time spent up to now is 76.2 secs Computing kpt #: 92 total cpu time spent up to now is 76.8 secs Computing kpt #: 93 total cpu time spent up to now is 77.5 secs Computing kpt #: 94 total cpu time spent up to now is 78.1 secs Computing kpt #: 95 total cpu time spent up to now is 78.7 secs Computing kpt #: 96 total cpu time spent up to now is 79.3 secs Computing kpt #: 97 total cpu time spent up to now is 79.9 secs Computing kpt #: 98 total cpu time spent up to now is 80.5 secs Computing kpt #: 99 total cpu time spent up to now is 81.1 secs Computing kpt #: 100 total cpu time spent up to now is 81.7 secs Computing kpt #: 101 total cpu time spent up to now is 82.3 secs Computing kpt #: 102 total cpu time spent up to now is 82.9 secs Computing kpt #: 103 total cpu time spent up to now is 83.5 secs Computing kpt #: 104 total cpu time spent up to now is 84.1 secs Computing kpt #: 105 total cpu time spent up to now is 84.7 secs Computing kpt #: 106 total cpu time spent up to now is 85.3 secs Computing kpt #: 107 total cpu time spent up to now is 85.9 secs Computing kpt #: 108 total cpu time spent up to now is 86.5 secs Computing kpt #: 109 total cpu time spent up to now is 87.1 secs Computing kpt #: 110 total cpu time spent up to now is 87.7 secs Computing kpt #: 111 total cpu time spent up to now is 88.3 secs Computing kpt #: 112 total cpu time spent up to now is 88.9 secs Computing kpt #: 113 total cpu time spent up to now is 89.6 secs Computing kpt #: 114 total cpu time spent up to now is 90.2 secs Computing kpt #: 115 total cpu time spent up to now is 91.0 secs Computing kpt #: 116 total cpu time spent up to now is 91.6 secs Computing kpt #: 117 total cpu time spent up to now is 92.3 secs Computing kpt #: 118 total cpu time spent up to now is 93.0 secs Computing kpt #: 119 total cpu time spent up to now is 93.7 secs Computing kpt #: 120 total cpu time spent up to now is 94.4 secs Computing kpt #: 121 total cpu time spent up to now is 95.1 secs Computing kpt #: 122 total cpu time spent up to now is 95.7 secs Computing kpt #: 123 total cpu time spent up to now is 96.4 secs Computing kpt #: 124 total cpu time spent up to now is 97.1 secs Computing kpt #: 125 total cpu time spent up to now is 97.9 secs Computing kpt #: 126 total cpu time spent up to now is 98.7 secs Computing kpt #: 127 total cpu time spent up to now is 99.5 secs Computing kpt #: 128 total cpu time spent up to now is 100.4 secs Computing kpt #: 129 total cpu time spent up to now is 101.5 secs Computing kpt #: 130 total cpu time spent up to now is 102.5 secs Computing kpt #: 131 total cpu time spent up to now is 104.1 secs Computing kpt #: 132 total cpu time spent up to now is 105.2 secs Computing kpt #: 133 total cpu time spent up to now is 106.2 secs Computing kpt #: 134 total cpu time spent up to now is 107.3 secs Computing kpt #: 135 total cpu time spent up to now is 108.5 secs Computing kpt #: 136 total cpu time spent up to now is 109.6 secs Computing kpt #: 137 total cpu time spent up to now is 111.0 secs Computing kpt #: 138 total cpu time spent up to now is 111.9 secs Computing kpt #: 139 total cpu time spent up to now is 112.9 secs Computing kpt #: 140 total cpu time spent up to now is 113.9 secs Computing kpt #: 141 total cpu time spent up to now is 114.7 secs Computing kpt #: 142 total cpu time spent up to now is 115.6 secs Computing kpt #: 143 total cpu time spent up to now is 116.6 secs Computing kpt #: 144 total cpu time spent up to now is 117.5 secs Computing kpt #: 145 total cpu time spent up to now is 118.5 secs Computing kpt #: 146 total cpu time spent up to now is 119.5 secs Computing kpt #: 147 total cpu time spent up to now is 120.5 secs Computing kpt #: 148 total cpu time spent up to now is 121.9 secs Computing kpt #: 149 total cpu time spent up to now is 123.2 secs Computing kpt #: 150 total cpu time spent up to now is 124.6 secs Computing kpt #: 151 total cpu time spent up to now is 126.0 secs Computing kpt #: 152 total cpu time spent up to now is 127.3 secs Computing kpt #: 153 total cpu time spent up to now is 128.5 secs Computing kpt #: 154 total cpu time spent up to now is 129.6 secs Computing kpt #: 155 total cpu time spent up to now is 130.6 secs Computing kpt #: 156 total cpu time spent up to now is 131.7 secs Computing kpt #: 157 total cpu time spent up to now is 132.7 secs Computing kpt #: 158 total cpu time spent up to now is 133.6 secs Computing kpt #: 159 total cpu time spent up to now is 134.5 secs Computing kpt #: 160 total cpu time spent up to now is 135.2 secs Computing kpt #: 161 total cpu time spent up to now is 136.0 secs Computing kpt #: 162 total cpu time spent up to now is 136.7 secs Computing kpt #: 163 total cpu time spent up to now is 137.5 secs Computing kpt #: 164 total cpu time spent up to now is 138.3 secs Computing kpt #: 165 total cpu time spent up to now is 139.1 secs Computing kpt #: 166 total cpu time spent up to now is 139.8 secs Computing kpt #: 167 total cpu time spent up to now is 140.6 secs Computing kpt #: 168 total cpu time spent up to now is 141.4 secs Computing kpt #: 169 total cpu time spent up to now is 142.4 secs Computing kpt #: 170 total cpu time spent up to now is 143.2 secs Computing kpt #: 171 total cpu time spent up to now is 144.0 secs Computing kpt #: 172 total cpu time spent up to now is 144.8 secs Computing kpt #: 173 total cpu time spent up to now is 145.5 secs Computing kpt #: 174 total cpu time spent up to now is 146.2 secs Computing kpt #: 175 total cpu time spent up to now is 146.9 secs Computing kpt #: 176 total cpu time spent up to now is 147.7 secs Computing kpt #: 177 total cpu time spent up to now is 148.4 secs Computing kpt #: 178 total cpu time spent up to now is 149.1 secs Computing kpt #: 179 total cpu time spent up to now is 149.8 secs Computing kpt #: 180 total cpu time spent up to now is 150.5 secs Computing kpt #: 181 total cpu time spent up to now is 151.2 secs Computing kpt #: 182 total cpu time spent up to now is 151.9 secs Computing kpt #: 183 total cpu time spent up to now is 152.6 secs Computing kpt #: 184 total cpu time spent up to now is 153.4 secs Computing kpt #: 185 total cpu time spent up to now is 154.1 secs Computing kpt #: 186 total cpu time spent up to now is 154.8 secs Computing kpt #: 187 total cpu time spent up to now is 155.5 secs Computing kpt #: 188 total cpu time spent up to now is 156.3 secs Computing kpt #: 189 total cpu time spent up to now is 157.1 secs Computing kpt #: 190 total cpu time spent up to now is 157.8 secs Computing kpt #: 191 total cpu time spent up to now is 158.7 secs Computing kpt #: 192 total cpu time spent up to now is 160.2 secs Computing kpt #: 193 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 161.8 secs Computing kpt #: 194 total cpu time spent up to now is 163.1 secs Computing kpt #: 195 total cpu time spent up to now is 164.2 secs Computing kpt #: 196 total cpu time spent up to now is 165.2 secs Computing kpt #: 197 total cpu time spent up to now is 166.2 secs Computing kpt #: 198 total cpu time spent up to now is 167.1 secs Computing kpt #: 199 total cpu time spent up to now is 168.0 secs Computing kpt #: 200 total cpu time spent up to now is 169.0 secs Computing kpt #: 201 total cpu time spent up to now is 170.0 secs Computing kpt #: 202 total cpu time spent up to now is 171.2 secs Computing kpt #: 203 total cpu time spent up to now is 172.2 secs Computing kpt #: 204 total cpu time spent up to now is 173.3 secs Computing kpt #: 205 total cpu time spent up to now is 174.5 secs Computing kpt #: 206 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 176.2 secs Computing kpt #: 207 total cpu time spent up to now is 177.7 secs Computing kpt #: 208 total cpu time spent up to now is 178.4 secs Computing kpt #: 209 total cpu time spent up to now is 179.2 secs Computing kpt #: 210 total cpu time spent up to now is 179.9 secs Computing kpt #: 211 total cpu time spent up to now is 180.6 secs Computing kpt #: 212 total cpu time spent up to now is 181.3 secs Computing kpt #: 213 total cpu time spent up to now is 182.0 secs Computing kpt #: 214 total cpu time spent up to now is 182.7 secs Computing kpt #: 215 total cpu time spent up to now is 183.4 secs Computing kpt #: 216 total cpu time spent up to now is 184.2 secs Computing kpt #: 217 total cpu time spent up to now is 185.0 secs Computing kpt #: 218 total cpu time spent up to now is 185.8 secs Computing kpt #: 219 total cpu time spent up to now is 186.5 secs Computing kpt #: 220 total cpu time spent up to now is 187.3 secs Computing kpt #: 221 total cpu time spent up to now is 188.0 secs Computing kpt #: 222 total cpu time spent up to now is 188.7 secs Computing kpt #: 223 total cpu time spent up to now is 189.4 secs Computing kpt #: 224 total cpu time spent up to now is 190.1 secs Computing kpt #: 225 total cpu time spent up to now is 190.8 secs Computing kpt #: 226 total cpu time spent up to now is 191.5 secs Computing kpt #: 227 total cpu time spent up to now is 192.2 secs Computing kpt #: 228 total cpu time spent up to now is 192.9 secs Computing kpt #: 229 total cpu time spent up to now is 193.7 secs Computing kpt #: 230 total cpu time spent up to now is 194.4 secs Computing kpt #: 231 total cpu time spent up to now is 195.2 secs Computing kpt #: 232 total cpu time spent up to now is 195.9 secs Computing kpt #: 233 total cpu time spent up to now is 196.7 secs Computing kpt #: 234 total cpu time spent up to now is 197.4 secs Computing kpt #: 235 total cpu time spent up to now is 198.2 secs Computing kpt #: 236 total cpu time spent up to now is 198.9 secs Computing kpt #: 237 total cpu time spent up to now is 199.9 secs Computing kpt #: 238 total cpu time spent up to now is 201.0 secs Computing kpt #: 239 total cpu time spent up to now is 201.8 secs Computing kpt #: 240 total cpu time spent up to now is 203.2 secs Computing kpt #: 241 total cpu time spent up to now is 204.1 secs Computing kpt #: 242 total cpu time spent up to now is 205.2 secs Computing kpt #: 243 total cpu time spent up to now is 206.2 secs Computing kpt #: 244 total cpu time spent up to now is 207.2 secs Computing kpt #: 245 total cpu time spent up to now is 208.1 secs Computing kpt #: 246 total cpu time spent up to now is 209.1 secs Computing kpt #: 247 total cpu time spent up to now is 210.1 secs Computing kpt #: 248 total cpu time spent up to now is 211.0 secs Computing kpt #: 249 total cpu time spent up to now is 212.5 secs Computing kpt #: 250 total cpu time spent up to now is 213.3 secs Computing kpt #: 251 total cpu time spent up to now is 214.0 secs Computing kpt #: 252 total cpu time spent up to now is 214.8 secs Computing kpt #: 253 total cpu time spent up to now is 215.5 secs Computing kpt #: 254 total cpu time spent up to now is 216.2 secs Computing kpt #: 255 total cpu time spent up to now is 216.9 secs Computing kpt #: 256 total cpu time spent up to now is 217.7 secs Computing kpt #: 257 total cpu time spent up to now is 218.4 secs Computing kpt #: 258 total cpu time spent up to now is 219.1 secs Computing kpt #: 259 total cpu time spent up to now is 219.8 secs Computing kpt #: 260 total cpu time spent up to now is 220.5 secs Computing kpt #: 261 total cpu time spent up to now is 221.2 secs Computing kpt #: 262 total cpu time spent up to now is 221.9 secs Computing kpt #: 263 total cpu time spent up to now is 222.6 secs Computing kpt #: 264 total cpu time spent up to now is 223.4 secs Computing kpt #: 265 total cpu time spent up to now is 224.1 secs Computing kpt #: 266 total cpu time spent up to now is 224.8 secs Computing kpt #: 267 total cpu time spent up to now is 225.5 secs Computing kpt #: 268 total cpu time spent up to now is 226.2 secs Computing kpt #: 269 total cpu time spent up to now is 226.9 secs Computing kpt #: 270 total cpu time spent up to now is 227.6 secs Computing kpt #: 271 total cpu time spent up to now is 228.6 secs Computing kpt #: 272 total cpu time spent up to now is 229.5 secs Computing kpt #: 273 total cpu time spent up to now is 230.3 secs Computing kpt #: 274 total cpu time spent up to now is 231.0 secs Computing kpt #: 275 total cpu time spent up to now is 231.7 secs Computing kpt #: 276 total cpu time spent up to now is 232.4 secs Computing kpt #: 277 total cpu time spent up to now is 233.1 secs Computing kpt #: 278 total cpu time spent up to now is 233.8 secs Computing kpt #: 279 total cpu time spent up to now is 234.5 secs Computing kpt #: 280 total cpu time spent up to now is 235.2 secs Computing kpt #: 281 total cpu time spent up to now is 236.0 secs Computing kpt #: 282 total cpu time spent up to now is 236.7 secs Computing kpt #: 283 total cpu time spent up to now is 237.5 secs Computing kpt #: 284 total cpu time spent up to now is 238.2 secs Computing kpt #: 285 total cpu time spent up to now is 238.9 secs Computing kpt #: 286 total cpu time spent up to now is 239.7 secs Computing kpt #: 287 total cpu time spent up to now is 240.5 secs Computing kpt #: 288 total cpu time spent up to now is 241.2 secs Computing kpt #: 289 total cpu time spent up to now is 242.0 secs Computing kpt #: 290 total cpu time spent up to now is 242.8 secs Computing kpt #: 291 total cpu time spent up to now is 243.7 secs Computing kpt #: 292 total cpu time spent up to now is 244.5 secs Computing kpt #: 293 total cpu time spent up to now is 245.3 secs Computing kpt #: 294 total cpu time spent up to now is 246.1 secs Computing kpt #: 295 total cpu time spent up to now is 246.9 secs Computing kpt #: 296 total cpu time spent up to now is 247.7 secs Computing kpt #: 297 total cpu time spent up to now is 248.5 secs Computing kpt #: 298 total cpu time spent up to now is 249.4 secs Computing kpt #: 299 total cpu time spent up to now is 250.3 secs Computing kpt #: 300 total cpu time spent up to now is 251.2 secs Computing kpt #: 301 total cpu time spent up to now is 252.0 secs Computing kpt #: 302 total cpu time spent up to now is 252.9 secs Computing kpt #: 303 total cpu time spent up to now is 253.8 secs Computing kpt #: 304 total cpu time spent up to now is 254.5 secs Computing kpt #: 305 total cpu time spent up to now is 255.3 secs Computing kpt #: 306 total cpu time spent up to now is 256.0 secs Computing kpt #: 307 total cpu time spent up to now is 256.8 secs Computing kpt #: 308 total cpu time spent up to now is 257.5 secs Computing kpt #: 309 total cpu time spent up to now is 258.3 secs Computing kpt #: 310 total cpu time spent up to now is 259.2 secs Computing kpt #: 311 total cpu time spent up to now is 260.1 secs Computing kpt #: 312 total cpu time spent up to now is 261.1 secs Computing kpt #: 313 total cpu time spent up to now is 262.1 secs Computing kpt #: 314 total cpu time spent up to now is 263.1 secs Computing kpt #: 315 total cpu time spent up to now is 264.0 secs Computing kpt #: 316 total cpu time spent up to now is 264.8 secs Computing kpt #: 317 total cpu time spent up to now is 265.6 secs Computing kpt #: 318 total cpu time spent up to now is 266.3 secs Computing kpt #: 319 total cpu time spent up to now is 267.0 secs Computing kpt #: 320 total cpu time spent up to now is 267.7 secs Computing kpt #: 321 total cpu time spent up to now is 268.4 secs Computing kpt #: 322 total cpu time spent up to now is 269.1 secs Computing kpt #: 323 total cpu time spent up to now is 269.8 secs Computing kpt #: 324 total cpu time spent up to now is 270.4 secs Computing kpt #: 325 total cpu time spent up to now is 271.0 secs Computing kpt #: 326 total cpu time spent up to now is 271.6 secs Computing kpt #: 327 total cpu time spent up to now is 272.2 secs Computing kpt #: 328 total cpu time spent up to now is 272.8 secs Computing kpt #: 329 total cpu time spent up to now is 273.4 secs Computing kpt #: 330 total cpu time spent up to now is 274.0 secs Computing kpt #: 331 total cpu time spent up to now is 274.6 secs Computing kpt #: 332 total cpu time spent up to now is 275.2 secs Computing kpt #: 333 total cpu time spent up to now is 275.8 secs Computing kpt #: 334 total cpu time spent up to now is 276.4 secs Computing kpt #: 335 total cpu time spent up to now is 277.1 secs Computing kpt #: 336 total cpu time spent up to now is 277.9 secs Computing kpt #: 337 total cpu time spent up to now is 278.8 secs Computing kpt #: 338 total cpu time spent up to now is 279.6 secs Computing kpt #: 339 total cpu time spent up to now is 280.4 secs Computing kpt #: 340 total cpu time spent up to now is 281.2 secs Computing kpt #: 341 total cpu time spent up to now is 281.9 secs Computing kpt #: 342 total cpu time spent up to now is 282.7 secs Computing kpt #: 343 total cpu time spent up to now is 283.5 secs Computing kpt #: 344 total cpu time spent up to now is 284.2 secs Computing kpt #: 345 total cpu time spent up to now is 285.0 secs Computing kpt #: 346 total cpu time spent up to now is 285.8 secs Computing kpt #: 347 total cpu time spent up to now is 286.5 secs Computing kpt #: 348 total cpu time spent up to now is 287.3 secs Computing kpt #: 349 total cpu time spent up to now is 288.0 secs Computing kpt #: 350 total cpu time spent up to now is 288.8 secs Computing kpt #: 351 total cpu time spent up to now is 289.5 secs Computing kpt #: 352 total cpu time spent up to now is 290.3 secs Computing kpt #: 353 total cpu time spent up to now is 291.0 secs Computing kpt #: 354 total cpu time spent up to now is 291.7 secs Computing kpt #: 355 total cpu time spent up to now is 292.5 secs Computing kpt #: 356 total cpu time spent up to now is 293.2 secs Computing kpt #: 357 total cpu time spent up to now is 294.0 secs Computing kpt #: 358 total cpu time spent up to now is 294.7 secs Computing kpt #: 359 total cpu time spent up to now is 295.4 secs Computing kpt #: 360 total cpu time spent up to now is 296.1 secs Computing kpt #: 361 total cpu time spent up to now is 296.8 secs Computing kpt #: 362 total cpu time spent up to now is 297.6 secs Computing kpt #: 363 total cpu time spent up to now is 298.3 secs Computing kpt #: 364 total cpu time spent up to now is 299.0 secs Computing kpt #: 365 total cpu time spent up to now is 299.7 secs Computing kpt #: 366 total cpu time spent up to now is 300.4 secs Computing kpt #: 367 total cpu time spent up to now is 301.1 secs Computing kpt #: 368 total cpu time spent up to now is 301.8 secs Computing kpt #: 369 total cpu time spent up to now is 302.5 secs ethr = 3.33E-08, avg # of iterations = 34.4 total cpu time spent up to now is 302.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8527 PWs) bands (ev): -14.1149 -14.1149 -13.1606 -13.1606 -12.4730 -12.4730 -7.5356 -7.5356 -2.7165 -2.7165 -1.7591 -1.7591 -1.5880 -1.5880 -0.8907 -0.8907 -0.3887 -0.3887 -0.0825 -0.0825 1.9753 1.9753 3.3518 3.3518 3.5055 3.5055 6.2422 6.2422 7.0098 7.0098 8.9871 8.9871 9.1825 9.1825 9.8868 9.8868 11.1851 11.1851 k =-0.0068 0.0066 0.0141 ( 8527 PWs) bands (ev): -14.1144 -14.1144 -13.1607 -13.1607 -12.4735 -12.4735 -7.5355 -7.5355 -2.7165 -2.7165 -1.7597 -1.7597 -1.5879 -1.5879 -0.8922 -0.8922 -0.3886 -0.3886 -0.0831 -0.0831 1.9752 1.9752 3.3523 3.3523 3.5065 3.5065 6.2420 6.2420 7.0092 7.0092 8.9888 8.9888 9.1864 9.1864 9.8884 9.8884 11.1872 11.1872 k =-0.0136 0.0132 0.0281 ( 8519 PWs) bands (ev): -14.1128 -14.1128 -13.1608 -13.1608 -12.4748 -12.4748 -7.5355 -7.5355 -2.7166 -2.7166 -1.7616 -1.7616 -1.5875 -1.5875 -0.8966 -0.8966 -0.3883 -0.3883 -0.0850 -0.0850 1.9747 1.9747 3.3538 3.3538 3.5093 3.5093 6.2414 6.2414 7.0076 7.0076 8.9941 8.9941 9.1977 9.1977 9.8933 9.8933 11.1938 11.1938 k =-0.0204 0.0198 0.0422 ( 8521 PWs) bands (ev): -14.1102 -14.1102 -13.1610 -13.1610 -12.4769 -12.4769 -7.5354 -7.5354 -2.7168 -2.7168 -1.7646 -1.7646 -1.5869 -1.5869 -0.9040 -0.9040 -0.3879 -0.3879 -0.0881 -0.0881 1.9740 1.9740 3.3563 3.3563 3.5139 3.5139 6.2405 6.2405 7.0049 7.0049 9.0028 9.0028 9.2166 9.2166 9.9015 9.9015 11.2046 11.2046 k =-0.0272 0.0263 0.0563 ( 8521 PWs) bands (ev): -14.1064 -14.1064 -13.1613 -13.1613 -12.4800 -12.4800 -7.5354 -7.5354 -2.7170 -2.7170 -1.7687 -1.7687 -1.5861 -1.5861 -0.9141 -0.9141 -0.3875 -0.3875 -0.0924 -0.0924 1.9731 1.9731 3.3596 3.3596 3.5206 3.5206 6.2393 6.2393 7.0012 7.0012 9.0149 9.0149 9.2425 9.2425 9.9129 9.9129 11.2199 11.2199 k =-0.0339 0.0329 0.0704 ( 8529 PWs) bands (ev): -14.1017 -14.1017 -13.1617 -13.1617 -12.4838 -12.4838 -7.5352 -7.5352 -2.7174 -2.7174 -1.7738 -1.7738 -1.5851 -1.5851 -0.9268 -0.9268 -0.3871 -0.3871 -0.0979 -0.0979 1.9719 1.9719 3.3637 3.3637 3.5291 3.5291 6.2378 6.2378 6.9963 6.9963 9.0303 9.0303 9.2754 9.2754 9.9275 9.9275 11.2396 11.2396 k =-0.0407 0.0395 0.0844 ( 8517 PWs) bands (ev): -14.0959 -14.0959 -13.1622 -13.1622 -12.4886 -12.4886 -7.5351 -7.5351 -2.7178 -2.7178 -1.7798 -1.7798 -1.5840 -1.5840 -0.9420 -0.9420 -0.3869 -0.3869 -0.1044 -0.1044 1.9706 1.9706 3.3685 3.3685 3.5396 3.5396 6.2360 6.2360 6.9905 6.9905 9.0488 9.0488 9.3146 9.3146 9.9452 9.9452 11.2637 11.2637 k =-0.0475 0.0461 0.0985 ( 8525 PWs) bands (ev): -14.0891 -14.0891 -13.1628 -13.1628 -12.4941 -12.4941 -7.5350 -7.5350 -2.7185 -2.7185 -1.7866 -1.7866 -1.5827 -1.5827 -0.9593 -0.9593 -0.3871 -0.3871 -0.1118 -0.1118 1.9691 1.9691 3.3740 3.3740 3.5520 3.5520 6.2341 6.2341 6.9836 6.9836 9.0703 9.0703 9.3598 9.3598 9.9661 9.9661 11.2923 11.2923 k =-0.0543 0.0527 0.1126 ( 8531 PWs) bands (ev): -14.0812 -14.0812 -13.1635 -13.1635 -12.5005 -12.5005 -7.5348 -7.5348 -2.7192 -2.7192 -1.7941 -1.7941 -1.5813 -1.5813 -0.9786 -0.9786 -0.3877 -0.3877 -0.1201 -0.1201 1.9674 1.9674 3.3803 3.3803 3.5660 3.5660 6.2320 6.2320 6.9757 6.9757 9.0946 9.0946 9.4101 9.4101 9.9900 9.9900 11.3253 11.3253 k =-0.0611 0.0593 0.1267 ( 8551 PWs) bands (ev): -14.0724 -14.0724 -13.1644 -13.1644 -12.5078 -12.5078 -7.5347 -7.5347 -2.7202 -2.7202 -1.8022 -1.8022 -1.5797 -1.5797 -0.9996 -0.9996 -0.3891 -0.3891 -0.1290 -0.1290 1.9657 1.9657 3.3872 3.3872 3.5817 3.5817 6.2299 6.2299 6.9667 6.9667 9.1215 9.1215 9.4650 9.4650 10.0169 10.0169 11.3629 11.3629 k =-0.0679 0.0659 0.1407 ( 8545 PWs) bands (ev): -14.0625 -14.0625 -13.1654 -13.1654 -12.5158 -12.5158 -7.5345 -7.5345 -2.7214 -2.7214 -1.8108 -1.8108 -1.5779 -1.5779 -1.0219 -1.0219 -0.3915 -0.3915 -0.1383 -0.1383 1.9640 1.9640 3.3950 3.3950 3.5986 3.5986 6.2277 6.2277 6.9569 6.9569 9.1508 9.1508 9.5234 9.5234 10.0466 10.0466 11.4049 11.4049 k =-0.0747 0.0725 0.1548 ( 8545 PWs) bands (ev): -14.0517 -14.0517 -13.1665 -13.1665 -12.5246 -12.5246 -7.5344 -7.5344 -2.7228 -2.7228 -1.8198 -1.8198 -1.5759 -1.5759 -1.0454 -1.0454 -0.3952 -0.3952 -0.1477 -0.1477 1.9622 1.9622 3.4037 3.4037 3.6167 3.6167 6.2255 6.2255 6.9461 6.9461 9.1823 9.1823 9.5846 9.5846 10.0792 10.0792 11.4514 11.4514 k =-0.0815 0.0790 0.1689 ( 8549 PWs) bands (ev): -14.0400 -14.0400 -13.1677 -13.1677 -12.5342 -12.5342 -7.5343 -7.5343 -2.7245 -2.7245 -1.8293 -1.8293 -1.5737 -1.5737 -1.0696 -1.0696 -0.4004 -0.4004 -0.1570 -0.1570 1.9606 1.9606 3.4134 3.4134 3.6355 3.6355 6.2235 6.2235 6.9344 6.9344 9.2157 9.2157 9.6473 9.6473 10.1146 10.1146 11.5024 11.5024 k =-0.0883 0.0856 0.1829 ( 8557 PWs) bands (ev): -14.0273 -14.0273 -13.1691 -13.1691 -12.5445 -12.5445 -7.5342 -7.5342 -2.7264 -2.7264 -1.8390 -1.8390 -1.5712 -1.5712 -1.0943 -1.0943 -0.4075 -0.4075 -0.1658 -0.1658 1.9591 1.9591 3.4241 3.4241 3.6549 3.6549 6.2216 6.2216 6.9218 6.9218 9.2508 9.2508 9.7104 9.7104 10.1526 10.1526 11.5576 11.5576 k =-0.0950 0.0922 0.1970 ( 8549 PWs) bands (ev): -14.0137 -14.0137 -13.1707 -13.1707 -12.5556 -12.5556 -7.5341 -7.5341 -2.7286 -2.7286 -1.8492 -1.8492 -1.5684 -1.5684 -1.1190 -1.1190 -0.4168 -0.4168 -0.1737 -0.1737 1.9577 1.9577 3.4359 3.4359 3.6745 3.6745 6.2200 6.2200 6.9084 6.9084 9.2873 9.2873 9.7726 9.7726 10.1932 10.1932 11.6170 11.6170 k =-0.1018 0.0988 0.2111 ( 8561 PWs) bands (ev): -13.9993 -13.9993 -13.1724 -13.1724 -12.5674 -12.5674 -7.5341 -7.5341 -2.7311 -2.7311 -1.8597 -1.8597 -1.5653 -1.5653 -1.1435 -1.1435 -0.4284 -0.4284 -0.1805 -0.1805 1.9565 1.9565 3.4488 3.4488 3.6941 3.6941 6.2185 6.2185 6.8942 6.8942 9.3249 9.3249 9.8324 9.8324 10.2364 10.2364 11.6799 11.6799 k =-0.1086 0.1054 0.2252 ( 8553 PWs) bands (ev): -13.9840 -13.9840 -13.1744 -13.1744 -12.5798 -12.5798 -7.5342 -7.5342 -2.7337 -2.7337 -1.8705 -1.8705 -1.5620 -1.5620 -1.1672 -1.1672 -0.4424 -0.4424 -0.1860 -0.1860 1.9555 1.9555 3.4629 3.4629 3.7136 3.7136 6.2174 6.2174 6.8792 6.8792 9.3636 9.3636 9.8884 9.8884 10.2820 10.2820 11.7231 11.7231 k =-0.1154 0.1120 0.2392 ( 8557 PWs) bands (ev): -13.9679 -13.9679 -13.1765 -13.1765 -12.5929 -12.5929 -7.5342 -7.5342 -2.7366 -2.7366 -1.8816 -1.8816 -1.5588 -1.5588 -1.1897 -1.1897 -0.4589 -0.4589 -0.1901 -0.1901 1.9548 1.9548 3.4779 3.4779 3.7326 3.7326 6.2165 6.2165 6.8635 6.8635 9.4029 9.4029 9.9390 9.9390 10.3300 10.3300 11.7035 11.7035 k =-0.1222 0.1186 0.2533 ( 8561 PWs) bands (ev): -13.9510 -13.9510 -13.1789 -13.1789 -12.6067 -12.6067 -7.5344 -7.5344 -2.7396 -2.7396 -1.8931 -1.8931 -1.5557 -1.5557 -1.2105 -1.2105 -0.4776 -0.4776 -0.1928 -0.1928 1.9544 1.9544 3.4940 3.4940 3.7509 3.7509 6.2160 6.2160 6.8472 6.8472 9.4426 9.4426 9.9831 9.9831 10.3802 10.3802 11.6834 11.6834 k =-0.1290 0.1251 0.2674 ( 8557 PWs) bands (ev): -13.9333 -13.9333 -13.1814 -13.1814 -12.6210 -12.6210 -7.5346 -7.5346 -2.7428 -2.7428 -1.9048 -1.9048 -1.5532 -1.5532 -1.2290 -1.2290 -0.4986 -0.4986 -0.1942 -0.1942 1.9543 1.9543 3.5111 3.5111 3.7686 3.7686 6.2159 6.2159 6.8302 6.8302 9.4826 9.4826 10.0196 10.0196 10.4323 10.4323 11.6650 11.6650 k =-0.1358 0.1317 0.2814 ( 8559 PWs) bands (ev): -13.9150 -13.9150 -13.1842 -13.1842 -12.6359 -12.6359 -7.5349 -7.5349 -2.7461 -2.7461 -1.9170 -1.9170 -1.5516 -1.5516 -1.2444 -1.2444 -0.5214 -0.5214 -0.1943 -0.1943 1.9544 1.9544 3.5289 3.5289 3.7853 3.7853 6.2161 6.2161 6.8127 6.8127 9.5225 9.5225 10.0478 10.0478 10.4861 10.4861 11.6487 11.6487 k =-0.1426 0.1383 0.2955 ( 8557 PWs) bands (ev): -13.8960 -13.8960 -13.1872 -13.1872 -12.6513 -12.6513 -7.5353 -7.5353 -2.7494 -2.7494 -1.9295 -1.9295 -1.5515 -1.5515 -1.2560 -1.2560 -0.5458 -0.5458 -0.1934 -0.1934 1.9549 1.9549 3.5475 3.5475 3.8010 3.8010 6.2168 6.2168 6.7947 6.7947 9.5623 9.5623 10.0674 10.0674 10.5412 10.5412 11.6346 11.6346 k =-0.1494 0.1449 0.3096 ( 8549 PWs) bands (ev): -13.8764 -13.8764 -13.1905 -13.1905 -12.6671 -12.6671 -7.5359 -7.5359 -2.7527 -2.7527 -1.9423 -1.9423 -1.5530 -1.5530 -1.2633 -1.2633 -0.5716 -0.5716 -0.1916 -0.1916 1.9556 1.9556 3.5665 3.5665 3.8157 3.8157 6.2178 6.2178 6.7763 6.7763 9.6016 9.6016 10.0785 10.0785 10.5972 10.5972 11.6229 11.6229 k =-0.1561 0.1515 0.3237 ( 8539 PWs) bands (ev): -13.8562 -13.8562 -13.1941 -13.1941 -12.6835 -12.6835 -7.5365 -7.5365 -2.7559 -2.7559 -1.9554 -1.9554 -1.5566 -1.5566 -1.2659 -1.2659 -0.5984 -0.5984 -0.1889 -0.1889 1.9567 1.9567 3.5860 3.5860 3.8292 3.8292 6.2192 6.2192 6.7574 6.7574 9.6403 9.6403 10.0816 10.0816 10.6537 10.6537 11.6139 11.6139 k =-0.1629 0.1581 0.3377 ( 8531 PWs) bands (ev): -13.8355 -13.8355 -13.1979 -13.1979 -12.7002 -12.7002 -7.5372 -7.5372 -2.7590 -2.7590 -1.9690 -1.9690 -1.5621 -1.5621 -1.2635 -1.2635 -0.6261 -0.6261 -0.1855 -0.1855 1.9580 1.9580 3.6056 3.6056 3.8417 3.8417 6.2210 6.2210 6.7383 6.7383 9.6782 9.6782 10.0775 10.0775 10.7106 10.7106 11.6076 11.6076 k =-0.1697 0.1647 0.3518 ( 8523 PWs) bands (ev): -13.8143 -13.8143 -13.2019 -13.2019 -12.7172 -12.7172 -7.5381 -7.5381 -2.7619 -2.7619 -1.9828 -1.9828 -1.5691 -1.5691 -1.2565 -1.2565 -0.6544 -0.6544 -0.1816 -0.1816 1.9596 1.9596 3.6253 3.6253 3.8529 3.8529 6.2231 6.2231 6.7188 6.7188 9.7152 9.7152 10.0672 10.0672 10.7674 10.7674 11.6041 11.6041 k =-0.1765 0.1713 0.3659 ( 8531 PWs) bands (ev): -13.7928 -13.7928 -13.2062 -13.2062 -12.7345 -12.7345 -7.5390 -7.5390 -2.7646 -2.7646 -1.9970 -1.9970 -1.5773 -1.5773 -1.2451 -1.2451 -0.6831 -0.6831 -0.1772 -0.1772 1.9614 1.9614 3.6447 3.6447 3.8631 3.8631 6.2257 6.2257 6.6992 6.6992 9.7511 9.7511 10.0520 10.0520 10.8238 10.8238 11.6037 11.6037 k =-0.1833 0.1778 0.3800 ( 8523 PWs) bands (ev): -13.7709 -13.7709 -13.2108 -13.2108 -12.7521 -12.7521 -7.5402 -7.5402 -2.7670 -2.7670 -2.0115 -2.0115 -1.5858 -1.5858 -1.2298 -1.2298 -0.7120 -0.7120 -0.1724 -0.1724 1.9635 1.9635 3.6637 3.6637 3.8722 3.8722 6.2286 6.2286 6.6795 6.6795 9.7856 9.7856 10.0329 10.0329 10.8796 10.8796 11.6063 11.6063 k =-0.1901 0.1844 0.3940 ( 8516 PWs) bands (ev): -13.7487 -13.7487 -13.2157 -13.2157 -12.7698 -12.7698 -7.5414 -7.5414 -2.7691 -2.7691 -2.0264 -2.0264 -1.5942 -1.5942 -1.2112 -1.2112 -0.7408 -0.7408 -0.1672 -0.1672 1.9658 1.9658 3.6821 3.6821 3.8802 3.8802 6.2319 6.2319 6.6597 6.6597 9.8185 9.8185 10.0115 10.0115 10.9344 10.9344 11.6121 11.6121 k =-0.1969 0.1910 0.4081 ( 8510 PWs) bands (ev): -13.7264 -13.7264 -13.2209 -13.2209 -12.7876 -12.7876 -7.5429 -7.5429 -2.7708 -2.7708 -2.0415 -2.0415 -1.6019 -1.6019 -1.1897 -1.1897 -0.7695 -0.7695 -0.1619 -0.1619 1.9682 1.9682 3.6997 3.6997 3.8872 3.8872 6.2355 6.2355 6.6399 6.6399 9.8492 9.8492 9.9892 9.9892 10.9880 10.9880 11.6212 11.6212 k =-0.2037 0.1976 0.4222 ( 8514 PWs) bands (ev): -13.7039 -13.7039 -13.2263 -13.2263 -12.8054 -12.8054 -7.5444 -7.5444 -2.7722 -2.7722 -2.0568 -2.0568 -1.6084 -1.6084 -1.1658 -1.1658 -0.7979 -0.7979 -0.1563 -0.1563 1.9709 1.9709 3.7163 3.7163 3.8933 3.8933 6.2394 6.2394 6.6202 6.6202 9.8761 9.8761 9.9685 9.9685 11.0401 11.0401 11.6335 11.6335 k =-0.2104 0.2042 0.4362 ( 8520 PWs) bands (ev): -13.6814 -13.6814 -13.2320 -13.2320 -12.8231 -12.8231 -7.5461 -7.5461 -2.7731 -2.7731 -2.0723 -2.0723 -1.6136 -1.6136 -1.1397 -1.1397 -0.8258 -0.8258 -0.1506 -0.1506 1.9736 1.9736 3.7317 3.7317 3.8985 3.8985 6.2437 6.2437 6.6007 6.6007 9.8932 9.8932 9.9561 9.9561 11.0902 11.0902 11.6493 11.6493 k =-0.2172 0.2108 0.4503 ( 8530 PWs) bands (ev): -13.6590 -13.6590 -13.2380 -13.2380 -12.8407 -12.8407 -7.5480 -7.5480 -2.7735 -2.7735 -2.0879 -2.0879 -1.6169 -1.6169 -1.1117 -1.1117 -0.8531 -0.8531 -0.1449 -0.1449 1.9766 1.9766 3.7457 3.7457 3.9029 3.9029 6.2482 6.2482 6.5813 6.5813 9.8901 9.8901 9.9633 9.9633 11.1382 11.1382 11.6684 11.6684 k =-0.2240 0.2174 0.4644 ( 8526 PWs) bands (ev): -13.6368 -13.6368 -13.2442 -13.2442 -12.8580 -12.8580 -7.5501 -7.5501 -2.7736 -2.7736 -2.1035 -2.1035 -1.6185 -1.6185 -1.0821 -1.0821 -0.8796 -0.8796 -0.1392 -0.1392 1.9796 1.9796 3.7582 3.7582 3.9065 3.9065 6.2531 6.2531 6.5623 6.5623 9.8740 9.8740 9.9833 9.9833 11.1837 11.1837 11.6910 11.6910 k =-0.2308 0.2239 0.4785 ( 8534 PWs) bands (ev): -13.6149 -13.6149 -13.2507 -13.2507 -12.8749 -12.8749 -7.5523 -7.5523 -2.7732 -2.7732 -2.1189 -2.1189 -1.6180 -1.6180 -1.0512 -1.0512 -0.9051 -0.9051 -0.1335 -0.1335 1.9827 1.9827 3.7690 3.7690 3.9094 3.9094 6.2583 6.2583 6.5436 6.5436 9.8554 9.8554 10.0062 10.0062 11.2264 11.2264 11.7170 11.7170 k =-0.2376 0.2305 0.4925 ( 8530 PWs) bands (ev): -13.5935 -13.5935 -13.2574 -13.2574 -12.8913 -12.8913 -7.5546 -7.5546 -2.7724 -2.7724 -2.1341 -2.1341 -1.6154 -1.6154 -1.0194 -1.0194 -0.9293 -0.9293 -0.1280 -0.1280 1.9859 1.9859 3.7781 3.7781 3.9116 3.9116 6.2637 6.2637 6.5253 6.5253 9.8375 9.8375 10.0291 10.0291 11.2660 11.2660 11.7465 11.7465 k =-0.2444 0.2371 0.5066 ( 8530 PWs) bands (ev): -13.5727 -13.5727 -13.2644 -13.2644 -12.9070 -12.9070 -7.5571 -7.5571 -2.7711 -2.7711 -2.1489 -2.1489 -1.6108 -1.6108 -0.9885 -0.9885 -0.9505 -0.9505 -0.1226 -0.1226 1.9892 1.9892 3.7854 3.7854 3.9131 3.9131 6.2694 6.2694 6.5074 6.5074 9.8216 9.8216 10.0512 10.0512 11.3023 11.3023 11.7794 11.7794 k =-0.2512 0.2437 0.5207 ( 8520 PWs) bands (ev): -13.5527 -13.5527 -13.2716 -13.2716 -12.9219 -12.9219 -7.5598 -7.5598 -2.7695 -2.7695 -2.1632 -2.1632 -1.6042 -1.6042 -0.9819 -0.9819 -0.9453 -0.9453 -0.1174 -0.1174 1.9926 1.9926 3.7910 3.7910 3.9138 3.9138 6.2753 6.2753 6.4902 6.4902 9.8081 9.8081 10.0721 10.0721 11.3350 11.3350 11.8158 11.8158 k =-0.2580 0.2503 0.5347 ( 8526 PWs) bands (ev): -13.5336 -13.5336 -13.2790 -13.2790 -12.9358 -12.9358 -7.5626 -7.5626 -2.7675 -2.7675 -2.1770 -2.1770 -1.5955 -1.5955 -1.0006 -1.0006 -0.9128 -0.9128 -0.1124 -0.1124 1.9960 1.9960 3.7948 3.7948 3.9136 3.9136 6.2815 6.2815 6.4735 6.4735 9.7972 9.7972 10.0918 10.0918 11.3640 11.3640 11.8556 11.8556 k =-0.2648 0.2569 0.5488 ( 8526 PWs) bands (ev): -13.5158 -13.5158 -13.2866 -13.2866 -12.9485 -12.9485 -7.5655 -7.5655 -2.7650 -2.7650 -2.1901 -2.1901 -1.5848 -1.5848 -1.0202 -1.0202 -0.8774 -0.8774 -0.1077 -0.1077 1.9994 1.9994 3.7970 3.7970 3.9125 3.9125 6.2880 6.2880 6.4575 6.4575 9.7892 9.7892 10.1102 10.1102 11.3891 11.3891 11.8987 11.8987 k =-0.2715 0.2635 0.5629 ( 8514 PWs) bands (ev): -13.4993 -13.4993 -13.2943 -13.2943 -12.9597 -12.9597 -7.5686 -7.5686 -2.7623 -2.7623 -2.2025 -2.2025 -1.5723 -1.5723 -1.0387 -1.0387 -0.8411 -0.8411 -0.1033 -0.1033 2.0029 2.0029 3.7977 3.7977 3.9104 3.9104 6.2947 6.2947 6.4422 6.4422 9.7839 9.7839 10.1274 10.1274 11.4102 11.4102 11.9452 11.9452 k =-0.2783 0.2701 0.5770 ( 8506 PWs) bands (ev): -13.4845 -13.4845 -13.3022 -13.3022 -12.9693 -12.9693 -7.5718 -7.5718 -2.7592 -2.7592 -2.2141 -2.2141 -1.5579 -1.5579 -1.0559 -1.0559 -0.8041 -0.8041 -0.0993 -0.0993 2.0065 2.0065 3.7968 3.7968 3.9073 3.9073 6.3016 6.3016 6.4276 6.4276 9.7814 9.7814 10.1432 10.1432 11.4272 11.4272 11.9949 11.9949 k =-0.2851 0.2766 0.5910 ( 8518 PWs) bands (ev): -13.4715 -13.4715 -13.3102 -13.3102 -12.9771 -12.9771 -7.5751 -7.5751 -2.7557 -2.7557 -2.2249 -2.2249 -1.5420 -1.5420 -1.0717 -1.0717 -0.7668 -0.7668 -0.0956 -0.0956 2.0100 2.0100 3.7946 3.7946 3.9030 3.9030 6.3087 6.3087 6.4139 6.4139 9.7813 9.7813 10.1578 10.1578 11.4402 11.4402 12.0477 12.0477 k =-0.2919 0.2832 0.6051 ( 8510 PWs) bands (ev): -13.4607 -13.4607 -13.3184 -13.3184 -12.9827 -12.9827 -7.5786 -7.5786 -2.7519 -2.7519 -2.2349 -2.2349 -1.5245 -1.5245 -1.0859 -1.0859 -0.7291 -0.7291 -0.0922 -0.0922 2.0136 2.0136 3.7911 3.7911 3.8976 3.8976 6.3159 6.3159 6.4011 6.4011 9.7834 9.7834 10.1711 10.1711 11.4492 11.4492 12.1035 12.1035 k =-0.2987 0.2898 0.6192 ( 8500 PWs) bands (ev): -13.4521 -13.4521 -13.3266 -13.3266 -12.9862 -12.9862 -7.5821 -7.5821 -2.7477 -2.7477 -2.2441 -2.2441 -1.5056 -1.5056 -1.0984 -1.0984 -0.6913 -0.6913 -0.0892 -0.0892 2.0172 2.0172 3.7864 3.7864 3.8910 3.8910 6.3233 6.3233 6.3892 6.3892 9.7873 9.7873 10.1833 10.1833 11.4542 11.4542 12.1622 12.1622 k =-0.3055 0.2964 0.6333 ( 8496 PWs) bands (ev): -13.4459 -13.4459 -13.3349 -13.3349 -12.9873 -12.9873 -7.5857 -7.5857 -2.7431 -2.7431 -2.2526 -2.2526 -1.4856 -1.4856 -1.1092 -1.1092 -0.6533 -0.6533 -0.0866 -0.0866 2.0209 2.0209 3.7806 3.7806 3.8834 3.8834 6.3306 6.3306 6.3785 6.3785 9.7925 9.7925 10.1944 10.1944 11.4555 11.4555 12.2234 12.2234 k =-0.3123 0.3030 0.6473 ( 8498 PWs) bands (ev): -13.4420 -13.4420 -13.3432 -13.3432 -12.9861 -12.9861 -7.5894 -7.5894 -2.7382 -2.7382 -2.2604 -2.2604 -1.4648 -1.4648 -1.1180 -1.1180 -0.6154 -0.6154 -0.0844 -0.0844 2.0245 2.0245 3.7735 3.7735 3.8748 3.8748 6.3374 6.3374 6.3693 6.3693 9.7984 9.7984 10.2043 10.2043 11.4532 11.4532 12.2264 12.2264 k =-0.3191 0.3096 0.6614 ( 8502 PWs) bands (ev): -13.4405 -13.4405 -13.3516 -13.3516 -12.9826 -12.9826 -7.5932 -7.5932 -2.7328 -2.7328 -2.2675 -2.2675 -1.4435 -1.4435 -1.1247 -1.1247 -0.5775 -0.5775 -0.0825 -0.0825 2.0282 2.0282 3.7653 3.7653 3.8654 3.8654 6.3422 6.3422 6.3632 6.3632 9.8043 9.8043 10.2132 10.2132 11.4476 11.4476 12.1613 12.1613 k =-0.3259 0.3162 0.6755 ( 8504 PWs) bands (ev): -13.4411 -13.4411 -13.3599 -13.3599 -12.9770 -12.9770 -7.5970 -7.5970 -2.7270 -2.7270 -2.2741 -2.2741 -1.4220 -1.4220 -1.1290 -1.1290 -0.5398 -0.5398 -0.0810 -0.0810 2.0318 2.0318 3.7559 3.7559 3.8552 3.8552 6.3417 6.3417 6.3636 6.3636 9.8095 9.8095 10.2212 10.2212 11.4388 11.4388 12.0930 12.0930 k =-0.3326 0.3227 0.6895 ( 8492 PWs) bands (ev): -13.4437 -13.4437 -13.3682 -13.3682 -12.9696 -12.9696 -7.6008 -7.6008 -2.7206 -2.7206 -2.2802 -2.2802 -1.4011 -1.4011 -1.1306 -1.1306 -0.5024 -0.5024 -0.0798 -0.0798 2.0355 2.0355 3.7453 3.7453 3.8447 3.8447 6.3368 6.3368 6.3694 6.3694 9.8131 9.8131 10.2282 10.2282 11.4273 11.4273 12.0222 12.0222 k =-0.3326 0.3227 0.6895 ( 8492 PWs) bands (ev): -13.4437 -13.4437 -13.3682 -13.3682 -12.9696 -12.9696 -7.6008 -7.6008 -2.7206 -2.7206 -2.2802 -2.2802 -1.4011 -1.4011 -1.1306 -1.1306 -0.5024 -0.5024 -0.0798 -0.0798 2.0355 2.0355 3.7453 3.7453 3.8447 3.8447 6.3368 6.3368 6.3694 6.3694 9.8131 9.8131 10.2282 10.2282 11.4273 11.4273 12.0222 12.0222 k =-0.3231 0.3134 0.6985 ( 8497 PWs) bands (ev): -13.4440 -13.4440 -13.3680 -13.3680 -12.9694 -12.9694 -7.6006 -7.6006 -2.7204 -2.7204 -2.2810 -2.2810 -1.4024 -1.4024 -1.1300 -1.1300 -0.5009 -0.5009 -0.0798 -0.0798 2.0354 2.0354 3.7454 3.7454 3.8444 3.8444 6.3361 6.3361 6.3692 6.3692 9.8125 9.8125 10.2294 10.2294 11.4281 11.4281 11.9736 11.9736 k =-0.3135 0.3042 0.7075 ( 8495 PWs) bands (ev): -13.4449 -13.4449 -13.3676 -13.3676 -12.9690 -12.9690 -7.5999 -7.5999 -2.7198 -2.7198 -2.2832 -2.2832 -1.4064 -1.4064 -1.1280 -1.1280 -0.4966 -0.4966 -0.0798 -0.0798 2.0352 2.0352 3.7457 3.7457 3.8437 3.8437 6.3340 6.3340 6.3688 6.3688 9.8109 9.8109 10.2328 10.2328 11.4306 11.4306 11.8999 11.8999 k =-0.3039 0.2949 0.7165 ( 8496 PWs) bands (ev): -13.4465 -13.4465 -13.3668 -13.3668 -12.9684 -12.9684 -7.5988 -7.5988 -2.7188 -2.7188 -2.2870 -2.2870 -1.4129 -1.4129 -1.1248 -1.1248 -0.4896 -0.4896 -0.0796 -0.0796 2.0348 2.0348 3.7463 3.7463 3.8425 3.8425 6.3306 6.3306 6.3681 6.3681 9.8083 9.8083 10.2381 10.2381 11.4349 11.4349 11.8272 11.8272 k =-0.2943 0.2856 0.7254 ( 8480 PWs) bands (ev): -13.4486 -13.4486 -13.3658 -13.3658 -12.9674 -12.9674 -7.5973 -7.5973 -2.7175 -2.7175 -2.2920 -2.2920 -1.4219 -1.4219 -1.1201 -1.1201 -0.4803 -0.4803 -0.0795 -0.0795 2.0344 2.0344 3.7470 3.7470 3.8409 3.8409 6.3258 6.3258 6.3673 6.3673 9.8053 9.8053 10.2448 10.2448 11.4407 11.4407 11.7585 11.7585 k =-0.2847 0.2763 0.7344 ( 8474 PWs) bands (ev): -13.4514 -13.4514 -13.3645 -13.3645 -12.9661 -12.9661 -7.5954 -7.5954 -2.7158 -2.7158 -2.2983 -2.2983 -1.4331 -1.4331 -1.1141 -1.1141 -0.4691 -0.4691 -0.0793 -0.0793 2.0339 2.0339 3.7479 3.7479 3.8389 3.8389 6.3197 6.3197 6.3663 6.3663 9.8021 9.8021 10.2522 10.2522 11.4480 11.4480 11.6947 11.6947 k =-0.2752 0.2670 0.7434 ( 8479 PWs) bands (ev): -13.4548 -13.4548 -13.3628 -13.3628 -12.9645 -12.9645 -7.5931 -7.5931 -2.7139 -2.7139 -2.3055 -2.3055 -1.4461 -1.4461 -1.1068 -1.1068 -0.4564 -0.4564 -0.0790 -0.0790 2.0334 2.0334 3.7490 3.7490 3.8365 3.8365 6.3124 6.3124 6.3652 6.3652 9.7992 9.7992 10.2597 10.2597 11.4561 11.4561 11.6363 11.6363 k =-0.2656 0.2577 0.7524 ( 8482 PWs) bands (ev): -13.4588 -13.4588 -13.3609 -13.3609 -12.9626 -12.9626 -7.5904 -7.5904 -2.7118 -2.7118 -2.3136 -2.3136 -1.4608 -1.4608 -1.0982 -1.0982 -0.4428 -0.4428 -0.0788 -0.0788 2.0329 2.0329 3.7500 3.7500 3.8338 3.8338 6.3042 6.3042 6.3640 6.3640 9.7969 9.7969 10.2665 10.2665 11.4639 11.4639 11.5836 11.5836 k =-0.2656 0.2577 0.7524 ( 8482 PWs) bands (ev): -13.4588 -13.4588 -13.3609 -13.3609 -12.9626 -12.9626 -7.5904 -7.5904 -2.7118 -2.7118 -2.3136 -2.3136 -1.4608 -1.4608 -1.0982 -1.0982 -0.4428 -0.4428 -0.0788 -0.0788 2.0329 2.0329 3.7500 3.7500 3.8338 3.8338 6.3042 6.3042 6.3640 6.3640 9.7969 9.7969 10.2665 10.2665 11.4639 11.4639 11.5836 11.5836 k =-0.2535 0.2460 0.7524 ( 8488 PWs) bands (ev): -13.4599 -13.4599 -13.3548 -13.3548 -12.9659 -12.9659 -7.5859 -7.5859 -2.7140 -2.7140 -2.3195 -2.3195 -1.4882 -1.4882 -1.0872 -1.0872 -0.4471 -0.4471 -0.0784 -0.0784 2.0309 2.0309 3.7559 3.7559 3.8377 3.8377 6.2990 6.2990 6.3584 6.3584 9.7932 9.7932 10.2710 10.2710 11.4674 11.4674 11.5627 11.5627 k =-0.2414 0.2342 0.7524 ( 8487 PWs) bands (ev): -13.4615 -13.4615 -13.3486 -13.3486 -12.9688 -12.9688 -7.5813 -7.5813 -2.7163 -2.7163 -2.3262 -2.3262 -1.5164 -1.5164 -1.0746 -1.0746 -0.4499 -0.4499 -0.0778 -0.0778 2.0292 2.0292 3.7608 3.7608 3.8416 3.8416 6.2932 6.2932 6.3528 6.3528 9.7896 9.7896 10.2752 10.2752 11.4532 11.4532 11.5427 11.5427 k =-0.2294 0.2225 0.7524 ( 8499 PWs) bands (ev): -13.4635 -13.4635 -13.3425 -13.3425 -12.9713 -12.9713 -7.5766 -7.5766 -2.7187 -2.7187 -2.3335 -2.3335 -1.5448 -1.5448 -1.0609 -1.0609 -0.4513 -0.4513 -0.0770 -0.0770 2.0279 2.0279 3.7647 3.7647 3.8455 3.8455 6.2866 6.2866 6.3472 6.3472 9.7863 9.7863 10.2787 10.2787 11.4052 11.4052 11.5238 11.5238 k =-0.2173 0.2108 0.7524 ( 8501 PWs) bands (ev): -13.4659 -13.4659 -13.3363 -13.3363 -12.9735 -12.9735 -7.5719 -7.5719 -2.7215 -2.7215 -2.3414 -2.3414 -1.5729 -1.5729 -1.0464 -1.0464 -0.4516 -0.4516 -0.0759 -0.0759 2.0270 2.0270 3.7677 3.7677 3.8494 3.8494 6.2795 6.2795 6.3416 6.3416 9.7835 9.7835 10.2815 10.2815 11.3198 11.3198 11.5071 11.5071 k =-0.2052 0.1991 0.7524 ( 8502 PWs) bands (ev): -13.4685 -13.4685 -13.3302 -13.3302 -12.9755 -12.9755 -7.5672 -7.5672 -2.7246 -2.7246 -2.3497 -2.3497 -1.6004 -1.6004 -1.0315 -1.0315 -0.4508 -0.4508 -0.0745 -0.0745 2.0266 2.0266 3.7698 3.7698 3.8534 3.8534 6.2719 6.2719 6.3362 6.3362 9.7812 9.7812 10.2834 10.2834 11.2129 11.2129 11.4925 11.4925 k =-0.1931 0.1874 0.7524 ( 8507 PWs) bands (ev): -13.4713 -13.4713 -13.3243 -13.3243 -12.9772 -12.9772 -7.5624 -7.5624 -2.7281 -2.7281 -2.3582 -2.3582 -1.6268 -1.6268 -1.0164 -1.0164 -0.4492 -0.4492 -0.0729 -0.0729 2.0267 2.0267 3.7709 3.7709 3.8574 3.8574 6.2639 6.2639 6.3308 6.3308 9.7796 9.7796 10.2842 10.2842 11.0980 11.0980 11.4796 11.4796 k =-0.1811 0.1757 0.7524 ( 8510 PWs) bands (ev): -13.4743 -13.4743 -13.3184 -13.3184 -12.9786 -12.9786 -7.5578 -7.5578 -2.7321 -2.7321 -2.3669 -2.3669 -1.6518 -1.6518 -1.0014 -1.0014 -0.4470 -0.4470 -0.0710 -0.0710 2.0273 2.0273 3.7712 3.7712 3.8613 3.8613 6.2556 6.2556 6.3256 6.3256 9.7785 9.7785 10.2839 10.2839 10.9820 10.9820 11.4683 11.4683 k =-0.1690 0.1640 0.7524 ( 8508 PWs) bands (ev): -13.4774 -13.4774 -13.3127 -13.3127 -12.9798 -12.9798 -7.5533 -7.5533 -2.7366 -2.7366 -2.3754 -2.3754 -1.6752 -1.6752 -0.9867 -0.9867 -0.4442 -0.4442 -0.0689 -0.0689 2.0286 2.0286 3.7708 3.7708 3.8652 3.8652 6.2470 6.2470 6.3206 6.3206 9.7780 9.7780 10.2825 10.2825 10.8683 10.8683 11.4585 11.4585 k =-0.1569 0.1523 0.7524 ( 8510 PWs) bands (ev): -13.4805 -13.4805 -13.3073 -13.3073 -12.9809 -12.9809 -7.5489 -7.5489 -2.7415 -2.7415 -2.3839 -2.3839 -1.6969 -1.6969 -0.9726 -0.9726 -0.4411 -0.4411 -0.0666 -0.0666 2.0304 2.0304 3.7696 3.7696 3.8689 3.8689 6.2385 6.2385 6.3159 6.3159 9.7777 9.7777 10.2796 10.2796 10.7593 10.7593 11.4500 11.4500 k =-0.1449 0.1405 0.7524 ( 8518 PWs) bands (ev): -13.4835 -13.4835 -13.3021 -13.3021 -12.9818 -12.9818 -7.5447 -7.5447 -2.7468 -2.7468 -2.3920 -2.3920 -1.7166 -1.7166 -0.9591 -0.9591 -0.4377 -0.4377 -0.0642 -0.0642 2.0327 2.0327 3.7679 3.7679 3.8724 3.8724 6.2299 6.2299 6.3113 6.3113 9.7776 9.7776 10.2753 10.2753 10.6565 10.6565 11.4428 11.4428 k =-0.1328 0.1288 0.7524 ( 8514 PWs) bands (ev): -13.4866 -13.4866 -13.2972 -13.2972 -12.9825 -12.9825 -7.5406 -7.5406 -2.7525 -2.7525 -2.3997 -2.3997 -1.7345 -1.7345 -0.9464 -0.9464 -0.4341 -0.4341 -0.0617 -0.0617 2.0355 2.0355 3.7657 3.7657 3.8758 3.8758 6.2215 6.2215 6.3071 6.3071 9.7773 9.7773 10.2690 10.2690 10.5618 10.5618 11.4367 11.4367 k =-0.1207 0.1171 0.7524 ( 8511 PWs) bands (ev): -13.4895 -13.4895 -13.2925 -13.2925 -12.9832 -12.9832 -7.5369 -7.5369 -2.7584 -2.7584 -2.4070 -2.4070 -1.7504 -1.7504 -0.9347 -0.9347 -0.4306 -0.4306 -0.0593 -0.0593 2.0387 2.0387 3.7631 3.7631 3.8790 3.8790 6.2134 6.2134 6.3032 6.3032 9.7765 9.7765 10.2598 10.2598 10.4771 10.4771 11.4317 11.4317 k =-0.1086 0.1054 0.7524 ( 8507 PWs) bands (ev): -13.4922 -13.4922 -13.2883 -13.2883 -12.9837 -12.9837 -7.5334 -7.5334 -2.7644 -2.7644 -2.4137 -2.4137 -1.7644 -1.7644 -0.9240 -0.9240 -0.4270 -0.4270 -0.0568 -0.0568 2.0422 2.0422 3.7603 3.7603 3.8819 3.8819 6.2056 6.2056 6.2995 6.2995 9.7748 9.7748 10.2458 10.2458 10.4054 10.4054 11.4276 11.4276 k =-0.0966 0.0937 0.7524 ( 8505 PWs) bands (ev): -13.4948 -13.4948 -13.2844 -13.2844 -12.9841 -12.9841 -7.5302 -7.5302 -2.7703 -2.7703 -2.4199 -2.4199 -1.7766 -1.7766 -0.9143 -0.9143 -0.4237 -0.4237 -0.0545 -0.0545 2.0459 2.0459 3.7574 3.7574 3.8845 3.8845 6.1984 6.1984 6.2963 6.2963 9.7717 9.7717 10.2234 10.2234 10.3513 10.3513 11.4243 11.4243 k =-0.0845 0.0820 0.7524 ( 8503 PWs) bands (ev): -13.4971 -13.4971 -13.2808 -13.2808 -12.9845 -12.9845 -7.5273 -7.5273 -2.7761 -2.7761 -2.4254 -2.4254 -1.7870 -1.7870 -0.9058 -0.9058 -0.4205 -0.4205 -0.0523 -0.0523 2.0496 2.0496 3.7544 3.7544 3.8869 3.8869 6.1917 6.1917 6.2933 6.2933 9.7669 9.7669 10.1913 10.1913 10.3168 10.3168 11.4217 11.4217 k =-0.0724 0.0703 0.7524 ( 8497 PWs) bands (ev): -13.4992 -13.4992 -13.2778 -13.2778 -12.9848 -12.9848 -7.5247 -7.5247 -2.7814 -2.7814 -2.4303 -2.4303 -1.7957 -1.7957 -0.8983 -0.8983 -0.4176 -0.4176 -0.0503 -0.0503 2.0532 2.0532 3.7516 3.7516 3.8889 3.8889 6.1857 6.1857 6.2908 6.2908 9.7604 9.7604 10.1552 10.1552 10.2969 10.2969 11.4197 11.4197 k =-0.0604 0.0586 0.7524 ( 8491 PWs) bands (ev): -13.5010 -13.5010 -13.2751 -13.2751 -12.9850 -12.9850 -7.5226 -7.5226 -2.7862 -2.7862 -2.4344 -2.4344 -1.8028 -1.8028 -0.8921 -0.8921 -0.4151 -0.4151 -0.0486 -0.0486 2.0566 2.0566 3.7490 3.7490 3.8907 3.8907 6.1805 6.1805 6.2886 6.2886 9.7522 9.7522 10.1221 10.1221 10.2847 10.2847 11.4182 11.4182 k =-0.0483 0.0468 0.7524 ( 8499 PWs) bands (ev): -13.5026 -13.5026 -13.2729 -13.2729 -12.9852 -12.9852 -7.5208 -7.5208 -2.7904 -2.7904 -2.4379 -2.4379 -1.8085 -1.8085 -0.8869 -0.8869 -0.4129 -0.4129 -0.0471 -0.0471 2.0596 2.0596 3.7466 3.7466 3.8921 3.8921 6.1762 6.1762 6.2868 6.2868 9.7430 9.7430 10.0952 10.0952 10.2765 10.2765 11.4171 11.4171 k =-0.0362 0.0351 0.7524 ( 8507 PWs) bands (ev): -13.5038 -13.5038 -13.2712 -13.2712 -12.9853 -12.9853 -7.5193 -7.5193 -2.7938 -2.7938 -2.4406 -2.4406 -1.8128 -1.8128 -0.8829 -0.8829 -0.4112 -0.4112 -0.0460 -0.0460 2.0621 2.0621 3.7448 3.7448 3.8933 3.8933 6.1727 6.1727 6.2854 6.2854 9.7340 9.7340 10.0754 10.0754 10.2707 10.2707 11.4164 11.4164 k =-0.0241 0.0234 0.7524 ( 8499 PWs) bands (ev): -13.5046 -13.5046 -13.2700 -13.2700 -12.9854 -12.9854 -7.5183 -7.5183 -2.7962 -2.7962 -2.4425 -2.4425 -1.8158 -1.8158 -0.8801 -0.8801 -0.4099 -0.4099 -0.0451 -0.0451 2.0640 2.0640 3.7433 3.7433 3.8941 3.8941 6.1702 6.1702 6.2844 6.2844 9.7264 9.7264 10.0621 10.0621 10.2667 10.2667 11.4159 11.4159 k =-0.0121 0.0117 0.7524 ( 8494 PWs) bands (ev): -13.5051 -13.5051 -13.2692 -13.2692 -12.9854 -12.9854 -7.5177 -7.5177 -2.7978 -2.7978 -2.4437 -2.4437 -1.8176 -1.8176 -0.8784 -0.8784 -0.4092 -0.4092 -0.0446 -0.0446 2.0651 2.0651 3.7425 3.7425 3.8946 3.8946 6.1687 6.1687 6.2838 6.2838 9.7213 9.7213 10.0545 10.0545 10.2644 10.2644 11.4156 11.4156 k = 0.0000 0.0000 0.7524 ( 8494 PWs) bands (ev): -13.5053 -13.5053 -13.2690 -13.2690 -12.9854 -12.9854 -7.5175 -7.5175 -2.7983 -2.7983 -2.4440 -2.4440 -1.8182 -1.8182 -0.8778 -0.8778 -0.4089 -0.4089 -0.0445 -0.0445 2.0655 2.0655 3.7422 3.7422 3.8947 3.8947 6.1682 6.1682 6.2836 6.2836 9.7195 9.7195 10.0520 10.0520 10.2637 10.2637 11.4155 11.4155 k = 0.0000 0.0000 0.7524 ( 8494 PWs) bands (ev): -13.5053 -13.5053 -13.2690 -13.2690 -12.9854 -12.9854 -7.5175 -7.5175 -2.7983 -2.7983 -2.4440 -2.4440 -1.8182 -1.8182 -0.8778 -0.8778 -0.4089 -0.4089 -0.0445 -0.0445 2.0655 2.0655 3.7422 3.7422 3.8947 3.8947 6.1682 6.1682 6.2836 6.2836 9.7195 9.7195 10.0520 10.0520 10.2637 10.2637 11.4155 11.4155 k = 0.0119 0.0123 0.7524 ( 8494 PWs) bands (ev): -13.5050 -13.5050 -13.2693 -13.2693 -12.9854 -12.9854 -7.5175 -7.5175 -2.7977 -2.7977 -2.4441 -2.4441 -1.8170 -1.8170 -0.8783 -0.8783 -0.4091 -0.4091 -0.0469 -0.0469 2.0657 2.0657 3.7432 3.7432 3.8941 3.8941 6.1681 6.1681 6.2841 6.2841 9.7209 9.7209 10.0538 10.0538 10.2660 10.2660 11.4123 11.4123 k = 0.0238 0.0245 0.7524 ( 8484 PWs) bands (ev): -13.5041 -13.5041 -13.2704 -13.2704 -12.9854 -12.9854 -7.5174 -7.5174 -2.7961 -2.7961 -2.4442 -2.4442 -1.8132 -1.8132 -0.8796 -0.8796 -0.4095 -0.4095 -0.0542 -0.0542 2.0662 2.0662 3.7461 3.7461 3.8924 3.8924 6.1680 6.1680 6.2856 6.2856 9.7253 9.7253 10.0589 10.0589 10.2729 10.2729 11.4029 11.4029 k = 0.0357 0.0368 0.7524 ( 8486 PWs) bands (ev): -13.5025 -13.5025 -13.2721 -13.2721 -12.9854 -12.9854 -7.5172 -7.5172 -2.7936 -2.7936 -2.4444 -2.4444 -1.8070 -1.8070 -0.8819 -0.8819 -0.4103 -0.4103 -0.0661 -0.0661 2.0671 2.0671 3.7508 3.7508 3.8895 3.8895 6.1678 6.1678 6.2880 6.2880 9.7324 9.7324 10.0674 10.0674 10.2841 10.2841 11.3876 11.3876 k = 0.0476 0.0491 0.7524 ( 8496 PWs) bands (ev): -13.5004 -13.5004 -13.2745 -13.2745 -12.9854 -12.9854 -7.5170 -7.5170 -2.7901 -2.7901 -2.4445 -2.4445 -1.7983 -1.7983 -0.8852 -0.8852 -0.4114 -0.4114 -0.0824 -0.0824 2.0684 2.0684 3.7568 3.7568 3.8860 3.8860 6.1675 6.1675 6.2913 6.2913 9.7424 9.7424 10.0791 10.0791 10.2996 10.2996 11.3670 11.3670 k = 0.0595 0.0613 0.7524 ( 8494 PWs) bands (ev): -13.4976 -13.4976 -13.2776 -13.2776 -12.9854 -12.9854 -7.5168 -7.5168 -2.7859 -2.7859 -2.4444 -2.4444 -1.7872 -1.7872 -0.8897 -0.8897 -0.4127 -0.4127 -0.1026 -0.1026 2.0699 2.0699 3.7638 3.7638 3.8820 3.8820 6.1672 6.1672 6.2953 6.2953 9.7551 9.7551 10.0939 10.0939 10.3188 10.3188 11.3417 11.3417 k = 0.0714 0.0736 0.7524 ( 8498 PWs) bands (ev): -13.4943 -13.4943 -13.2813 -13.2813 -12.9854 -12.9854 -7.5165 -7.5165 -2.7810 -2.7810 -2.4441 -2.4441 -1.7738 -1.7738 -0.8956 -0.8956 -0.4142 -0.4142 -0.1262 -0.1262 2.0717 2.0717 3.7710 3.7710 3.8783 3.8783 6.1667 6.1667 6.3001 6.3001 9.7704 9.7704 10.1117 10.1117 10.3413 10.3413 11.3124 11.3124 k = 0.0833 0.0859 0.7524 ( 8508 PWs) bands (ev): -13.4904 -13.4904 -13.2856 -13.2856 -12.9854 -12.9854 -7.5162 -7.5162 -2.7758 -2.7758 -2.4433 -2.4433 -1.7581 -1.7581 -0.9030 -0.9030 -0.4160 -0.4160 -0.1525 -0.1525 2.0738 2.0738 3.7773 3.7773 3.8757 3.8757 6.1662 6.1662 6.3054 6.3054 9.7881 9.7881 10.1322 10.1322 10.3665 10.3665 11.2797 11.2797 k = 0.0952 0.0982 0.7524 ( 8500 PWs) bands (ev): -13.4859 -13.4859 -13.2905 -13.2905 -12.9854 -12.9854 -7.5158 -7.5158 -2.7704 -2.7704 -2.4421 -2.4421 -1.7402 -1.7402 -0.9123 -0.9123 -0.4179 -0.4179 -0.1808 -0.1808 2.0761 2.0761 3.7816 3.7816 3.8752 3.8752 6.1657 6.1657 6.3111 6.3111 9.8081 9.8081 10.1551 10.1551 10.3938 10.3938 11.2443 11.2443 k = 0.1071 0.1104 0.7524 ( 8488 PWs) bands (ev): -13.4809 -13.4809 -13.2960 -13.2960 -12.9854 -12.9854 -7.5155 -7.5155 -2.7650 -2.7650 -2.4402 -2.4402 -1.7201 -1.7201 -0.9237 -0.9237 -0.4199 -0.4199 -0.2103 -0.2103 2.0785 2.0785 3.7831 3.7831 3.8778 3.8778 6.1652 6.1652 6.3172 6.3172 9.8303 9.8303 10.1800 10.1800 10.4225 10.4225 11.2068 11.2068 k = 0.1190 0.1227 0.7524 ( 8492 PWs) bands (ev): -13.4754 -13.4754 -13.3020 -13.3020 -12.9854 -12.9854 -7.5151 -7.5151 -2.7597 -2.7597 -2.4378 -2.4378 -1.6978 -1.6978 -0.9374 -0.9374 -0.4221 -0.4221 -0.2403 -0.2403 2.0810 2.0810 3.7813 3.7813 3.8834 3.8834 6.1646 6.1646 6.3234 6.3234 9.8543 9.8543 10.2067 10.2067 10.4518 10.4518 11.1680 11.1680 k = 0.1310 0.1350 0.7524 ( 8498 PWs) bands (ev): -13.4695 -13.4695 -13.3085 -13.3085 -12.9854 -12.9854 -7.5147 -7.5147 -2.7548 -2.7548 -2.4347 -2.4347 -1.6735 -1.6735 -0.9538 -0.9538 -0.4245 -0.4245 -0.2697 -0.2697 2.0836 2.0836 3.7768 3.7768 3.8916 3.8916 6.1640 6.1640 6.3296 6.3296 9.8798 9.8798 10.2345 10.2345 10.4810 10.4810 11.1284 11.1284 k = 0.1429 0.1472 0.7524 ( 8502 PWs) bands (ev): -13.4631 -13.4631 -13.3154 -13.3154 -12.9854 -12.9854 -7.5143 -7.5143 -2.7503 -2.7503 -2.4311 -2.4311 -1.6473 -1.6473 -0.9730 -0.9730 -0.4271 -0.4271 -0.2978 -0.2978 2.0862 2.0862 3.7706 3.7706 3.9012 3.9012 6.1634 6.1634 6.3356 6.3356 9.9065 9.9065 10.2631 10.2631 10.5091 10.5091 11.0889 11.0889 k = 0.1548 0.1595 0.7524 ( 8504 PWs) bands (ev): -13.4562 -13.4562 -13.3227 -13.3227 -12.9854 -12.9854 -7.5140 -7.5140 -2.7464 -2.7464 -2.4271 -2.4271 -1.6193 -1.6193 -0.9951 -0.9951 -0.4299 -0.4299 -0.3237 -0.3237 2.0887 2.0887 3.7635 3.7635 3.9115 3.9115 6.1628 6.1628 6.3414 6.3414 9.9339 9.9339 10.2916 10.2916 10.5354 10.5354 11.0500 11.0500 k = 0.1667 0.1718 0.7524 ( 8512 PWs) bands (ev): -13.4491 -13.4491 -13.3303 -13.3303 -12.9854 -12.9854 -7.5136 -7.5136 -2.7430 -2.7430 -2.4228 -2.4228 -1.5896 -1.5896 -1.0201 -1.0201 -0.4331 -0.4331 -0.3466 -0.3466 2.0911 2.0911 3.7561 3.7561 3.9218 3.9218 6.1623 6.1623 6.3469 6.3469 9.9615 9.9615 10.3195 10.3195 10.5592 10.5592 11.0129 11.0129 k = 0.1786 0.1840 0.7524 ( 8514 PWs) bands (ev): -13.4415 -13.4415 -13.3382 -13.3382 -12.9854 -12.9854 -7.5133 -7.5133 -2.7403 -2.7403 -2.4184 -2.4184 -1.5586 -1.5586 -1.0476 -1.0476 -0.4370 -0.4370 -0.3659 -0.3659 2.0933 2.0933 3.7489 3.7489 3.9314 3.9314 6.1618 6.1618 6.3518 6.3518 9.9886 9.9886 10.3461 10.3461 10.5798 10.5798 10.9783 10.9783 k = 0.1905 0.1963 0.7524 ( 8518 PWs) bands (ev): -13.4337 -13.4337 -13.3464 -13.3464 -12.9854 -12.9854 -7.5130 -7.5130 -2.7380 -2.7380 -2.4142 -2.4142 -1.5267 -1.5267 -1.0772 -1.0772 -0.4415 -0.4415 -0.3811 -0.3811 2.0953 2.0953 3.7423 3.7423 3.9401 3.9401 6.1613 6.1614 6.3562 6.3562 10.0144 10.0144 10.3704 10.3704 10.5966 10.5966 10.9473 10.9473 k = 0.2024 0.2086 0.7524 ( 8518 PWs) bands (ev): -13.4257 -13.4257 -13.3547 -13.3547 -12.9854 -12.9854 -7.5128 -7.5128 -2.7363 -2.7363 -2.4104 -2.4104 -1.4947 -1.4947 -1.1078 -1.1078 -0.4466 -0.4466 -0.3922 -0.3922 2.0970 2.0970 3.7366 3.7366 3.9476 3.9476 6.1610 6.1610 6.3598 6.3598 10.0379 10.0379 10.3917 10.3917 10.6094 10.6094 10.9209 10.9209 k = 0.2143 0.2209 0.7524 ( 8522 PWs) bands (ev): -13.4176 -13.4176 -13.3631 -13.3631 -12.9854 -12.9854 -7.5126 -7.5126 -2.7350 -2.7350 -2.4072 -2.4072 -1.4639 -1.4639 -1.1380 -1.1380 -0.4517 -0.4517 -0.3996 -0.3996 2.0983 2.0983 3.7319 3.7319 3.9536 3.9536 6.1607 6.1607 6.3628 6.3628 10.0580 10.0580 10.4093 10.4093 10.6181 10.6181 10.9001 10.9001 k = 0.2262 0.2331 0.7524 ( 8532 PWs) bands (ev): -13.4095 -13.4095 -13.3714 -13.3714 -12.9854 -12.9854 -7.5125 -7.5125 -2.7341 -2.7341 -2.4048 -2.4048 -1.4365 -1.4365 -1.1651 -1.1651 -0.4561 -0.4561 -0.4042 -0.4042 2.0993 2.0993 3.7284 3.7284 3.9580 3.9580 6.1605 6.1605 6.3649 6.3649 10.0735 10.0735 10.4224 10.4224 10.6232 10.6232 10.8851 10.8851 k = 0.2381 0.2454 0.7524 ( 8534 PWs) bands (ev): -13.4020 -13.4020 -13.3790 -13.3790 -12.9854 -12.9854 -7.5124 -7.5124 -2.7336 -2.7336 -2.4033 -2.4033 -1.4164 -1.4164 -1.1852 -1.1852 -0.4590 -0.4590 -0.4066 -0.4066 2.0999 2.0999 3.7263 3.7263 3.9606 3.9606 6.1603 6.1603 6.3662 6.3662 10.0834 10.0834 10.4304 10.4304 10.6258 10.6258 10.8763 10.8763 k = 0.2500 0.2577 0.7524 ( 8540 PWs) bands (ev): -13.3979 -13.3979 -13.3831 -13.3831 -12.9854 -12.9854 -7.5123 -7.5123 -2.7335 -2.7335 -2.4027 -2.4027 -1.4087 -1.4087 -1.1929 -1.1929 -0.4600 -0.4600 -0.4074 -0.4074 2.1001 2.1001 3.7256 3.7256 3.9615 3.9615 6.1603 6.1603 6.3666 6.3666 10.0867 10.0867 10.4332 10.4332 10.6265 10.6265 10.8734 10.8734 k = 0.2500 0.2577 0.7524 ( 8540 PWs) bands (ev): -13.3979 -13.3979 -13.3831 -13.3831 -12.9854 -12.9854 -7.5123 -7.5123 -2.7335 -2.7335 -2.4027 -2.4027 -1.4087 -1.4087 -1.1929 -1.1929 -0.4600 -0.4600 -0.4074 -0.4074 2.1001 2.1001 3.7256 3.7256 3.9615 3.9615 6.1603 6.1603 6.3666 6.3666 10.0867 10.0867 10.4332 10.4332 10.6265 10.6265 10.8734 10.8734 k = 0.2400 0.2674 0.7430 ( 8530 PWs) bands (ev): -13.3982 -13.3982 -13.3831 -13.3831 -12.9850 -12.9850 -7.5125 -7.5125 -2.7327 -2.7327 -2.4022 -2.4022 -1.4086 -1.4086 -1.1928 -1.1928 -0.4611 -0.4611 -0.4086 -0.4086 2.1001 2.1001 3.7258 3.7258 3.9617 3.9617 6.1610 6.1610 6.3672 6.3672 10.0888 10.0888 10.4269 10.4269 10.6348 10.6348 10.8733 10.8733 k = 0.2300 0.2771 0.7336 ( 8532 PWs) bands (ev): -13.3991 -13.3991 -13.3832 -13.3832 -12.9839 -12.9839 -7.5131 -7.5131 -2.7303 -2.7303 -2.4006 -2.4006 -1.4084 -1.4084 -1.1927 -1.1927 -0.4645 -0.4645 -0.4122 -0.4122 2.0999 2.0999 3.7262 3.7262 3.9621 3.9621 6.1629 6.1629 6.3687 6.3687 10.0949 10.0949 10.4104 10.4104 10.6571 10.6571 10.8733 10.8733 k = 0.2200 0.2868 0.7243 ( 8522 PWs) bands (ev): -13.4006 -13.4006 -13.3832 -13.3832 -12.9821 -12.9821 -7.5140 -7.5140 -2.7263 -2.7263 -2.3979 -2.3979 -1.4079 -1.4079 -1.1925 -1.1925 -0.4704 -0.4704 -0.4180 -0.4180 2.0996 2.0996 3.7270 3.7270 3.9629 3.9629 6.1659 6.1659 6.3714 6.3714 10.1046 10.1046 10.3884 10.3884 10.6891 10.6891 10.8739 10.8739 k = 0.2100 0.2965 0.7149 ( 8528 PWs) bands (ev): -13.4026 -13.4026 -13.3832 -13.3832 -12.9797 -12.9797 -7.5153 -7.5153 -2.7209 -2.7209 -2.3943 -2.3943 -1.4072 -1.4072 -1.1919 -1.1919 -0.4791 -0.4791 -0.4256 -0.4256 2.0992 2.0992 3.7281 3.7281 3.9639 3.9639 6.1698 6.1698 6.3754 6.3754 10.1172 10.1172 10.3640 10.3640 10.7276 10.7276 10.8758 10.8758 k = 0.2000 0.3062 0.7055 ( 8536 PWs) bands (ev): -13.4051 -13.4051 -13.3833 -13.3833 -12.9766 -12.9766 -7.5168 -7.5168 -2.7139 -2.7139 -2.3897 -2.3897 -1.4064 -1.4064 -1.1910 -1.1910 -0.4908 -0.4908 -0.4347 -0.4347 2.0988 2.0988 3.7295 3.7295 3.9652 3.9652 6.1741 6.1741 6.3809 6.3809 10.1317 10.1317 10.3389 10.3389 10.7707 10.7707 10.8804 10.8804 k = 0.1900 0.3159 0.6962 ( 8530 PWs) bands (ev): -13.4080 -13.4080 -13.3833 -13.3833 -12.9731 -12.9731 -7.5187 -7.5187 -2.7055 -2.7055 -2.3844 -2.3844 -1.4053 -1.4053 -1.1896 -1.1896 -0.5058 -0.5058 -0.4451 -0.4451 2.0985 2.0985 3.7311 3.7311 3.9666 3.9666 6.1787 6.1787 6.3881 6.3881 10.1468 10.1468 10.3143 10.3143 10.8174 10.8174 10.8892 10.8892 k = 0.1800 0.3256 0.6868 ( 8524 PWs) bands (ev): -13.4113 -13.4113 -13.3834 -13.3834 -12.9690 -12.9690 -7.5209 -7.5209 -2.6958 -2.6958 -2.3783 -2.3783 -1.4040 -1.4040 -1.1874 -1.1874 -0.5239 -0.5239 -0.4566 -0.4566 2.0982 2.0982 3.7331 3.7331 3.9683 3.9683 6.1830 6.1830 6.3971 6.3971 10.1606 10.1606 10.2908 10.2908 10.8663 10.8663 10.9051 10.9051 k = 0.1700 0.3353 0.6774 ( 8526 PWs) bands (ev): -13.4149 -13.4149 -13.3835 -13.3835 -12.9646 -12.9646 -7.5232 -7.5232 -2.6849 -2.6849 -2.3718 -2.3718 -1.4025 -1.4025 -1.1843 -1.1843 -0.5451 -0.5451 -0.4692 -0.4692 2.0981 2.0981 3.7353 3.7353 3.9701 3.9701 6.1867 6.1867 6.4079 6.4079 10.1714 10.1714 10.2694 10.2694 10.9106 10.9106 10.9360 10.9360 k = 0.1600 0.3450 0.6681 ( 8526 PWs) bands (ev): -13.4187 -13.4187 -13.3835 -13.3835 -12.9599 -12.9599 -7.5258 -7.5258 -2.6727 -2.6727 -2.3648 -2.3648 -1.4007 -1.4007 -1.1802 -1.1802 -0.5689 -0.5689 -0.4832 -0.4832 2.0981 2.0981 3.7377 3.7377 3.9721 3.9721 6.1897 6.1897 6.4207 6.4207 10.1766 10.1766 10.2513 10.2513 10.9461 10.9461 10.9875 10.9875 k = 0.1500 0.3547 0.6587 ( 8528 PWs) bands (ev): -13.4226 -13.4226 -13.3836 -13.3836 -12.9550 -12.9550 -7.5285 -7.5285 -2.6596 -2.6596 -2.3577 -2.3577 -1.3984 -1.3984 -1.1747 -1.1747 -0.5951 -0.5951 -0.4985 -0.4985 2.0985 2.0985 3.7403 3.7403 3.9741 3.9741 6.1918 6.1918 6.4352 6.4352 10.1743 10.1743 10.2376 10.2376 10.9865 10.9865 11.0471 11.0471 k = 0.1400 0.3644 0.6493 ( 8532 PWs) bands (ev): -13.4267 -13.4267 -13.3837 -13.3837 -12.9500 -12.9500 -7.5314 -7.5314 -2.6456 -2.6456 -2.3505 -2.3505 -1.3958 -1.3958 -1.1678 -1.1678 -0.6232 -0.6232 -0.5154 -0.5154 2.0990 2.0990 3.7431 3.7431 3.9762 3.9762 6.1930 6.1930 6.4511 6.4511 10.1646 10.1646 10.2280 10.2280 11.0362 11.0362 11.1107 11.1107 k = 0.1300 0.3741 0.6400 ( 8528 PWs) bands (ev): -13.4307 -13.4307 -13.3838 -13.3838 -12.9449 -12.9449 -7.5343 -7.5343 -2.6308 -2.6308 -2.3434 -2.3434 -1.3926 -1.3926 -1.1593 -1.1593 -0.6529 -0.6529 -0.5339 -0.5339 2.0999 2.0999 3.7460 3.7460 3.9783 3.9783 6.1932 6.1932 6.4682 6.4682 10.1503 10.1503 10.2197 10.2197 11.0956 11.0956 11.1777 11.1777 k = 0.1200 0.3838 0.6306 ( 8522 PWs) bands (ev): -13.4347 -13.4347 -13.3839 -13.3839 -12.9399 -12.9399 -7.5372 -7.5372 -2.6155 -2.6155 -2.3366 -2.3366 -1.3889 -1.3889 -1.1491 -1.1491 -0.6836 -0.6836 -0.5540 -0.5540 2.1010 2.1010 3.7490 3.7490 3.9804 3.9804 6.1928 6.1928 6.4861 6.4861 10.1342 10.1342 10.2107 10.2107 11.1644 11.1644 11.2477 11.2477 k = 0.1100 0.3935 0.6212 ( 8526 PWs) bands (ev): -13.4386 -13.4386 -13.3840 -13.3840 -12.9350 -12.9350 -7.5401 -7.5401 -2.5998 -2.5998 -2.3303 -2.3303 -1.3845 -1.3845 -1.1371 -1.1371 -0.7151 -0.7151 -0.5757 -0.5757 2.1024 2.1024 3.7519 3.7519 3.9825 3.9825 6.1916 6.1916 6.5042 6.5042 10.1178 10.1178 10.2002 10.2002 11.2416 11.2416 11.3204 11.3204 k = 0.1000 0.4032 0.6119 ( 8526 PWs) bands (ev): -13.4423 -13.4423 -13.3841 -13.3841 -12.9302 -12.9302 -7.5430 -7.5430 -2.5840 -2.5840 -2.3247 -2.3247 -1.3793 -1.3793 -1.1234 -1.1234 -0.7468 -0.7468 -0.5989 -0.5989 2.1040 2.1040 3.7549 3.7549 3.9844 3.9844 6.1901 6.1901 6.5223 6.5223 10.1018 10.1018 10.1884 10.1884 11.3262 11.3262 11.3958 11.3958 k = 0.0900 0.4129 0.6025 ( 8530 PWs) bands (ev): -13.4459 -13.4459 -13.3842 -13.3842 -12.9258 -12.9258 -7.5457 -7.5457 -2.5683 -2.5683 -2.3197 -2.3197 -1.3734 -1.3734 -1.1079 -1.1079 -0.7783 -0.7783 -0.6236 -0.6236 2.1058 2.1058 3.7578 3.7578 3.9863 3.9863 6.1882 6.1882 6.5399 6.5399 10.0867 10.0867 10.1758 10.1758 11.4162 11.4162 11.4741 11.4741 k = 0.0800 0.4226 0.5932 ( 8516 PWs) bands (ev): -13.4491 -13.4491 -13.3842 -13.3842 -12.9216 -12.9216 -7.5482 -7.5482 -2.5529 -2.5529 -2.3155 -2.3155 -1.3667 -1.3667 -1.0907 -1.0907 -0.8091 -0.8091 -0.6496 -0.6496 2.1076 2.1076 3.7605 3.7605 3.9881 3.9881 6.1861 6.1861 6.5567 6.5567 10.0726 10.0726 10.1630 10.1630 11.5082 11.5082 11.5568 11.5568 k = 0.0700 0.4323 0.5838 ( 8510 PWs) bands (ev): -13.4521 -13.4521 -13.3843 -13.3843 -12.9178 -12.9178 -7.5506 -7.5506 -2.5381 -2.5381 -2.3122 -2.3122 -1.3595 -1.3595 -1.0719 -1.0719 -0.8386 -0.8386 -0.6768 -0.6768 2.1095 2.1095 3.7631 3.7631 3.9898 3.9898 6.1839 6.1839 6.5722 6.5722 10.0598 10.0598 10.1506 10.1506 11.5962 11.5962 11.6479 11.6479 k = 0.0600 0.4420 0.5744 ( 8504 PWs) bands (ev): -13.4547 -13.4547 -13.3844 -13.3844 -12.9144 -12.9144 -7.5527 -7.5527 -2.5243 -2.5243 -2.3098 -2.3098 -1.3517 -1.3517 -1.0517 -1.0517 -0.8660 -0.8660 -0.7048 -0.7048 2.1114 2.1114 3.7654 3.7654 3.9912 3.9912 6.1818 6.1818 6.5863 6.5863 10.0484 10.0484 10.1389 10.1389 11.6760 11.6760 11.7491 11.7491 k = 0.0500 0.4517 0.5651 ( 8498 PWs) bands (ev): -13.4570 -13.4570 -13.3844 -13.3844 -12.9115 -12.9115 -7.5546 -7.5546 -2.5117 -2.5117 -2.3081 -2.3081 -1.3437 -1.3437 -1.0306 -1.0306 -0.8904 -0.8904 -0.7336 -0.7336 2.1131 2.1131 3.7674 3.7674 3.9925 3.9925 6.1798 6.1798 6.5987 6.5987 10.0385 10.0385 10.1284 10.1284 11.7482 11.7482 11.8569 11.8569 k = 0.0400 0.4614 0.5557 ( 8496 PWs) bands (ev): -13.4589 -13.4589 -13.3845 -13.3845 -12.9090 -12.9090 -7.5561 -7.5561 -2.5007 -2.5007 -2.3071 -2.3071 -1.3360 -1.3360 -1.0097 -1.0097 -0.9101 -0.9101 -0.7628 -0.7628 2.1146 2.1146 3.7691 3.7691 3.9936 3.9936 6.1781 6.1781 6.6091 6.6091 10.0302 10.0302 10.1195 10.1195 11.8125 11.8125 11.9682 11.9682 k = 0.0300 0.4711 0.5463 ( 8494 PWs) bands (ev): -13.4604 -13.4604 -13.3845 -13.3845 -12.9071 -12.9071 -7.5574 -7.5574 -2.4916 -2.4916 -2.3066 -2.3066 -1.3290 -1.3290 -0.9917 -0.9917 -0.9220 -0.9220 -0.7921 -0.7921 2.1159 2.1159 3.7705 3.7705 3.9944 3.9944 6.1767 6.1767 6.6174 6.6174 10.0237 10.0237 10.1123 10.1123 11.8669 11.8669 12.0808 12.0808 k = 0.0200 0.4808 0.5370 ( 8488 PWs) bands (ev): -13.4615 -13.4615 -13.3845 -13.3845 -12.9057 -12.9057 -7.5583 -7.5583 -2.4849 -2.4849 -2.3064 -2.3064 -1.3233 -1.3233 -0.9822 -0.9822 -0.9200 -0.9200 -0.8211 -0.8211 2.1168 2.1168 3.7715 3.7715 3.9951 3.9951 6.1757 6.1757 6.6234 6.6234 10.0189 10.0189 10.1071 10.1071 11.9088 11.9088 12.1929 12.1929 k = 0.0100 0.4905 0.5276 ( 8494 PWs) bands (ev): -13.4621 -13.4621 -13.3846 -13.3846 -12.9048 -12.9048 -7.5588 -7.5588 -2.4807 -2.4807 -2.3064 -2.3064 -1.3196 -1.3196 -0.9812 -0.9812 -0.9040 -0.9040 -0.8489 -0.8489 2.1174 2.1174 3.7721 3.7721 3.9954 3.9954 6.1750 6.1750 6.6271 6.6271 10.0160 10.0160 10.1039 10.1039 11.9354 11.9354 12.3027 12.3027 k = 0.0000 0.5002 0.5182 ( 8492 PWs) bands (ev): -13.4624 -13.4624 -13.3846 -13.3846 -12.9045 -12.9045 -7.5590 -7.5590 -2.4792 -2.4792 -2.3064 -2.3064 -1.3183 -1.3183 -0.9818 -0.9818 -0.8879 -0.8879 -0.8680 -0.8680 2.1176 2.1176 3.7723 3.7723 3.9956 3.9956 6.1748 6.1748 6.6283 6.6283 10.0150 10.0150 10.1028 10.1028 11.9445 11.9445 12.4010 12.4010 k = 0.0000 0.5002 0.5182 ( 8492 PWs) bands (ev): -13.4624 -13.4624 -13.3846 -13.3846 -12.9045 -12.9045 -7.5590 -7.5590 -2.4792 -2.4792 -2.3064 -2.3064 -1.3183 -1.3183 -0.9818 -0.9818 -0.8879 -0.8879 -0.8680 -0.8680 2.1176 2.1176 3.7723 3.7723 3.9956 3.9956 6.1748 6.1748 6.6283 6.6283 10.0150 10.0150 10.1028 10.1028 11.9445 11.9445 12.4010 12.4010 k = 0.0133 0.5073 0.5114 ( 8498 PWs) bands (ev): -13.4621 -13.4621 -13.3847 -13.3847 -12.9048 -12.9048 -7.5591 -7.5591 -2.4804 -2.4804 -2.3062 -2.3062 -1.3217 -1.3217 -0.9783 -0.9783 -0.8961 -0.8961 -0.8571 -0.8571 2.1173 2.1173 3.7724 3.7724 3.9951 3.9951 6.1752 6.1752 6.6275 6.6275 10.0140 10.0140 10.1027 10.1027 11.9450 11.9450 12.3999 12.4000 k = 0.0266 0.5144 0.5045 ( 8504 PWs) bands (ev): -13.4613 -13.4613 -13.3849 -13.3849 -12.9055 -12.9055 -7.5594 -7.5594 -2.4840 -2.4840 -2.3056 -2.3056 -1.3310 -1.3310 -0.9696 -0.9696 -0.9066 -0.9066 -0.8375 -0.8375 2.1164 2.1164 3.7728 3.7728 3.9937 3.9937 6.1762 6.1762 6.6253 6.6253 10.0108 10.0108 10.1026 10.1026 11.9464 11.9464 12.3964 12.3964 k = 0.0399 0.5215 0.4977 ( 8498 PWs) bands (ev): -13.4599 -13.4599 -13.3854 -13.3854 -12.9067 -12.9067 -7.5599 -7.5599 -2.4898 -2.4898 -2.3045 -2.3045 -1.3447 -1.3447 -0.9616 -0.9616 -0.9105 -0.9105 -0.8139 -0.8139 2.1148 2.1148 3.7734 3.7734 3.9914 3.9914 6.1780 6.1780 6.6215 6.6215 10.0053 10.0053 10.1028 10.1028 11.9489 11.9489 12.3901 12.3901 k = 0.0532 0.5286 0.4908 ( 8504 PWs) bands (ev): -13.4581 -13.4581 -13.3860 -13.3860 -12.9084 -12.9084 -7.5606 -7.5606 -2.4977 -2.4977 -2.3031 -2.3031 -1.3609 -1.3609 -0.9624 -0.9624 -0.9020 -0.9020 -0.7860 -0.7860 2.1127 2.1127 3.7743 3.7743 3.9882 3.9882 6.1805 6.1805 6.6162 6.6162 9.9974 9.9974 10.1036 10.1036 11.9525 11.9525 12.3803 12.3804 k = 0.0665 0.5357 0.4840 ( 8498 PWs) bands (ev): -13.4558 -13.4558 -13.3867 -13.3867 -12.9105 -12.9105 -7.5615 -7.5615 -2.5076 -2.5076 -2.3013 -2.3013 -1.3780 -1.3780 -0.9703 -0.9703 -0.8847 -0.8847 -0.7537 -0.7537 2.1100 2.1100 3.7752 3.7752 3.9841 3.9841 6.1836 6.1836 6.6096 6.6096 9.9871 9.9871 10.1054 10.1054 11.9571 11.9571 12.3656 12.3656 k = 0.0798 0.5428 0.4771 ( 8502 PWs) bands (ev): -13.4531 -13.4531 -13.3874 -13.3874 -12.9131 -12.9131 -7.5626 -7.5626 -2.5193 -2.5193 -2.2992 -2.2992 -1.3950 -1.3950 -0.9809 -0.9809 -0.8646 -0.8646 -0.7170 -0.7170 2.1068 2.1068 3.7763 3.7763 3.9793 3.9793 6.1874 6.1874 6.6016 6.6016 9.9747 9.9747 10.1083 10.1083 11.9629 11.9629 12.3440 12.3441 k = 0.0931 0.5499 0.4703 ( 8506 PWs) bands (ev): -13.4501 -13.4501 -13.3882 -13.3882 -12.9161 -12.9161 -7.5639 -7.5639 -2.5326 -2.5326 -2.2969 -2.2969 -1.4109 -1.4109 -0.9922 -0.9922 -0.8442 -0.8442 -0.6764 -0.6764 2.1030 2.1030 3.7774 3.7774 3.9738 3.9738 6.1919 6.1919 6.5924 6.5924 9.9604 9.9604 10.1122 10.1122 11.9699 11.9699 12.3131 12.3131 k = 0.1064 0.5570 0.4634 ( 8506 PWs) bands (ev): -13.4468 -13.4468 -13.3889 -13.3889 -12.9196 -12.9196 -7.5653 -7.5653 -2.5470 -2.5470 -2.2943 -2.2943 -1.4253 -1.4253 -1.0037 -1.0037 -0.8241 -0.8241 -0.6327 -0.6327 2.0988 2.0988 3.7785 3.7785 3.9676 3.9676 6.1970 6.1970 6.5821 6.5821 9.9450 9.9450 10.1171 10.1171 11.9779 11.9779 12.2707 12.2707 k = 0.1198 0.5641 0.4566 ( 8510 PWs) bands (ev): -13.4434 -13.4434 -13.3895 -13.3895 -12.9234 -12.9234 -7.5669 -7.5669 -2.5624 -2.5624 -2.2915 -2.2915 -1.4379 -1.4379 -1.0150 -1.0150 -0.8044 -0.8044 -0.5870 -0.5870 2.0941 2.0941 3.7795 3.7795 3.9609 3.9609 6.2028 6.2028 6.5707 6.5707 9.9288 9.9288 10.1229 10.1229 11.9868 11.9868 12.2169 12.2169 k = 0.1331 0.5712 0.4497 ( 8506 PWs) bands (ev): -13.4401 -13.4401 -13.3897 -13.3897 -12.9276 -12.9276 -7.5686 -7.5686 -2.5784 -2.5784 -2.2887 -2.2887 -1.4486 -1.4486 -1.0262 -1.0262 -0.7851 -0.7851 -0.5400 -0.5400 2.0891 2.0891 3.7803 3.7803 3.9537 3.9537 6.2092 6.2092 6.5584 6.5584 9.9124 9.9124 10.1293 10.1293 11.9958 11.9958 12.1550 12.1550 k = 0.1464 0.5783 0.4428 ( 8512 PWs) bands (ev): -13.4371 -13.4371 -13.3895 -13.3895 -12.9320 -12.9320 -7.5704 -7.5704 -2.5947 -2.5947 -2.2859 -2.2859 -1.4571 -1.4571 -1.0371 -1.0371 -0.7660 -0.7660 -0.4926 -0.4926 2.0837 2.0837 3.7808 3.7808 3.9461 3.9461 6.2162 6.2162 6.5452 6.5452 9.8963 9.8963 10.1363 10.1363 12.0006 12.0006 12.0930 12.0930 k = 0.1597 0.5854 0.4360 ( 8512 PWs) bands (ev): -13.4345 -13.4345 -13.3886 -13.3886 -12.9368 -12.9368 -7.5724 -7.5724 -2.6110 -2.6110 -2.2831 -2.2831 -1.4635 -1.4635 -1.0477 -1.0477 -0.7470 -0.7470 -0.4454 -0.4454 2.0781 2.0781 3.7811 3.7811 3.9383 3.9383 6.2237 6.2237 6.5314 6.5314 9.8810 9.8810 10.1437 10.1437 11.9794 11.9794 12.0564 12.0564 k = 0.1730 0.5925 0.4291 ( 8510 PWs) bands (ev): -13.4326 -13.4326 -13.3870 -13.3870 -12.9417 -12.9417 -7.5744 -7.5744 -2.6271 -2.6271 -2.2805 -2.2805 -1.4678 -1.4678 -1.0579 -1.0579 -0.7281 -0.7281 -0.3991 -0.3991 2.0724 2.0724 3.7809 3.7809 3.9303 3.9303 6.2318 6.2318 6.5171 6.5171 9.8667 9.8667 10.1513 10.1513 11.9216 11.9216 12.0585 12.0585 k = 0.1863 0.5996 0.4223 ( 8513 PWs) bands (ev): -13.4315 -13.4315 -13.3845 -13.3845 -12.9467 -12.9467 -7.5766 -7.5766 -2.6426 -2.6426 -2.2781 -2.2781 -1.4701 -1.4701 -1.0677 -1.0677 -0.7092 -0.7092 -0.3542 -0.3542 2.0667 2.0667 3.7804 3.7804 3.9223 3.9223 6.2403 6.2403 6.5024 6.5024 9.8537 9.8537 10.1592 10.1592 11.8559 11.8559 12.0719 12.0719 k = 0.1996 0.6067 0.4154 ( 8509 PWs) bands (ev): -13.4310 -13.4310 -13.3815 -13.3815 -12.9517 -12.9517 -7.5788 -7.5788 -2.6573 -2.6573 -2.2760 -2.2760 -1.4705 -1.4705 -1.0771 -1.0771 -0.6902 -0.6902 -0.3113 -0.3113 2.0610 2.0610 3.7794 3.7794 3.9142 3.9142 6.2493 6.2493 6.4874 6.4874 9.8424 9.8424 10.1670 10.1670 11.7915 11.7915 12.0883 12.0883 k = 0.2129 0.6138 0.4086 ( 8510 PWs) bands (ev): -13.4313 -13.4313 -13.3779 -13.3779 -12.9566 -12.9566 -7.5811 -7.5811 -2.6709 -2.6709 -2.2743 -2.2743 -1.4690 -1.4690 -1.0859 -1.0859 -0.6713 -0.6713 -0.2709 -0.2709 2.0555 2.0555 3.7779 3.7779 3.9062 3.9062 6.2587 6.2587 6.4723 6.4723 9.8328 9.8328 10.1748 10.1748 11.7307 11.7307 12.1059 12.1059 k = 0.2262 0.6209 0.4017 ( 8501 PWs) bands (ev): -13.4320 -13.4320 -13.3742 -13.3742 -12.9613 -12.9613 -7.5834 -7.5834 -2.6833 -2.6833 -2.2730 -2.2730 -1.4659 -1.4659 -1.0942 -1.0942 -0.6523 -0.6523 -0.2334 -0.2334 2.0504 2.0504 3.7759 3.7759 3.8984 3.8984 6.2685 6.2685 6.4573 6.4573 9.8250 9.8250 10.1825 10.1825 11.6743 11.6743 12.1230 12.1230 k = 0.2395 0.6280 0.3949 ( 8494 PWs) bands (ev): -13.4331 -13.4331 -13.3706 -13.3706 -12.9655 -12.9655 -7.5857 -7.5857 -2.6943 -2.6943 -2.2721 -2.2721 -1.4612 -1.4612 -1.1018 -1.1018 -0.6333 -0.6333 -0.1992 -0.1992 2.0458 2.0458 3.7735 3.7735 3.8907 3.8907 6.2786 6.2786 6.4424 6.4424 9.8189 9.8189 10.1899 10.1899 11.6230 11.6230 12.1380 12.1380 k = 0.2528 0.6351 0.3880 ( 8492 PWs) bands (ev): -13.4344 -13.4344 -13.3674 -13.3674 -12.9692 -12.9692 -7.5880 -7.5880 -2.7036 -2.7036 -2.2718 -2.2718 -1.4552 -1.4552 -1.1088 -1.1088 -0.6143 -0.6143 -0.1688 -0.1688 2.0418 2.0418 3.7707 3.7707 3.8832 3.8832 6.2889 6.2889 6.4278 6.4278 9.8146 9.8146 10.1969 10.1969 11.5771 11.5771 12.1479 12.1479 k = 0.2661 0.6422 0.3812 ( 8494 PWs) bands (ev): -13.4358 -13.4358 -13.3647 -13.3647 -12.9721 -12.9721 -7.5903 -7.5903 -2.7113 -2.7113 -2.2719 -2.2719 -1.4479 -1.4479 -1.1149 -1.1149 -0.5954 -0.5954 -0.1425 -0.1425 2.0385 2.0385 3.7675 3.7675 3.8759 3.8759 6.2994 6.2994 6.4137 6.4137 9.8118 9.8118 10.2036 10.2036 11.5369 11.5369 12.1488 12.1488 k = 0.2794 0.6493 0.3743 ( 8493 PWs) bands (ev): -13.4373 -13.4373 -13.3630 -13.3630 -12.9741 -12.9741 -7.5925 -7.5925 -2.7171 -2.7171 -2.2725 -2.2725 -1.4397 -1.4397 -1.1202 -1.1202 -0.5765 -0.5765 -0.1205 -0.1205 2.0360 2.0360 3.7638 3.7638 3.8690 3.8690 6.3098 6.3098 6.4003 6.4003 9.8104 9.8104 10.2097 10.2097 11.5027 11.5027 12.1375 12.1375 k = 0.2927 0.6564 0.3675 ( 8492 PWs) bands (ev): -13.4389 -13.4389 -13.3623 -13.3623 -12.9750 -12.9750 -7.5947 -7.5947 -2.7210 -2.7210 -2.2737 -2.2737 -1.4307 -1.4307 -1.1246 -1.1246 -0.5578 -0.5578 -0.1031 -0.1031 2.0344 2.0344 3.7598 3.7598 3.8623 3.8623 6.3200 6.3200 6.3879 6.3879 9.8102 9.8102 10.2153 10.2153 11.4745 11.4745 12.1156 12.1156 k = 0.3060 0.6635 0.3606 ( 8503 PWs) bands (ev): -13.4405 -13.4405 -13.3629 -13.3629 -12.9747 -12.9747 -7.5968 -7.5968 -2.7229 -2.7229 -2.2754 -2.2754 -1.4210 -1.4210 -1.1278 -1.1278 -0.5391 -0.5391 -0.0905 -0.0905 2.0338 2.0338 3.7554 3.7554 3.8560 3.8560 6.3293 6.3293 6.3772 6.3772 9.8108 9.8108 10.2203 10.2203 11.4525 11.4525 12.0875 12.0876 k = 0.3193 0.6706 0.3538 ( 8506 PWs) bands (ev): -13.4421 -13.4421 -13.3649 -13.3649 -12.9729 -12.9729 -7.5989 -7.5989 -2.7228 -2.7228 -2.2775 -2.2775 -1.4111 -1.4111 -1.1299 -1.1299 -0.5206 -0.5206 -0.0828 -0.0828 2.0342 2.0342 3.7505 3.7505 3.8501 3.8501 6.3360 6.3360 6.3699 6.3699 9.8119 9.8119 10.2246 10.2246 11.4367 11.4367 12.0560 12.0560 k = 0.3326 0.6777 0.3469 ( 8492 PWs) bands (ev): -13.4437 -13.4437 -13.3682 -13.3682 -12.9696 -12.9696 -7.6008 -7.6008 -2.7206 -2.7206 -2.2802 -2.2802 -1.4011 -1.4011 -1.1306 -1.1306 -0.5024 -0.5024 -0.0798 -0.0798 2.0355 2.0355 3.7453 3.7453 3.8447 3.8447 6.3368 6.3368 6.3694 6.3694 9.8131 9.8131 10.2282 10.2282 11.4273 11.4273 12.0222 12.0222 k = 0.3326 0.6777 0.3469 ( 8492 PWs) bands (ev): -13.4437 -13.4437 -13.3682 -13.3682 -12.9696 -12.9696 -7.6008 -7.6008 -2.7206 -2.7206 -2.2802 -2.2802 -1.4011 -1.4011 -1.1306 -1.1306 -0.5024 -0.5024 -0.0798 -0.0798 2.0355 2.0355 3.7453 3.7453 3.8447 3.8447 6.3368 6.3368 6.3694 6.3694 9.8131 9.8131 10.2282 10.2282 11.4273 11.4273 12.0222 12.0222 k = 0.3393 0.6712 0.3330 ( 8492 PWs) bands (ev): -13.4480 -13.4480 -13.3763 -13.3763 -12.9607 -12.9607 -7.6046 -7.6046 -2.7139 -2.7139 -2.2858 -2.2858 -1.3814 -1.3814 -1.1291 -1.1291 -0.4658 -0.4658 -0.0790 -0.0790 2.0390 2.0390 3.7334 3.7334 3.8340 3.8340 6.3311 6.3311 6.3769 6.3769 9.8143 9.8143 10.2343 10.2343 11.4134 11.4134 11.9511 11.9511 k = 0.3460 0.6647 0.3192 ( 8494 PWs) bands (ev): -13.4536 -13.4536 -13.3843 -13.3843 -12.9504 -12.9504 -7.6084 -7.6084 -2.7066 -2.7066 -2.2911 -2.2911 -1.3635 -1.3635 -1.1241 -1.1241 -0.4296 -0.4296 -0.0784 -0.0784 2.0426 2.0426 3.7201 3.7201 3.8235 3.8235 6.3258 6.3258 6.3850 6.3850 9.8124 9.8124 10.2395 10.2395 11.3974 11.3974 11.8798 11.8798 k = 0.3527 0.6582 0.3053 ( 8490 PWs) bands (ev): -13.4604 -13.4604 -13.3923 -13.3923 -12.9392 -12.9392 -7.6122 -7.6122 -2.6987 -2.6987 -2.2962 -2.2962 -1.3479 -1.3479 -1.1152 -1.1152 -0.3939 -0.3939 -0.0780 -0.0780 2.0461 2.0461 3.7054 3.7054 3.8132 3.8132 6.3212 6.3212 6.3934 6.3934 9.8064 9.8064 10.2440 10.2440 11.3796 11.3796 11.8091 11.8091 k = 0.3594 0.6517 0.2914 ( 8502 PWs) bands (ev): -13.4680 -13.4680 -13.4000 -13.4000 -12.9272 -12.9272 -7.6160 -7.6160 -2.6903 -2.6903 -2.3011 -2.3011 -1.3352 -1.3352 -1.1023 -1.1023 -0.3589 -0.3589 -0.0778 -0.0778 2.0496 2.0496 3.6890 3.6890 3.8034 3.8034 6.3172 6.3172 6.4020 6.4020 9.7958 9.7958 10.2479 10.2479 11.3603 11.3603 11.7396 11.7396 k = 0.3661 0.6452 0.2775 ( 8498 PWs) bands (ev): -13.4763 -13.4763 -13.4076 -13.4076 -12.9147 -12.9147 -7.6197 -7.6197 -2.6812 -2.6812 -2.3058 -2.3058 -1.3254 -1.3254 -1.0854 -1.0854 -0.3245 -0.3245 -0.0776 -0.0776 2.0531 2.0531 3.6712 3.6712 3.7944 3.7944 6.3139 6.3139 6.4106 6.4106 9.7800 9.7800 10.2511 10.2511 11.3397 11.3397 11.6717 11.6717 k = 0.3728 0.6387 0.2637 ( 8494 PWs) bands (ev): -13.4851 -13.4851 -13.4151 -13.4151 -12.9018 -12.9018 -7.6234 -7.6234 -2.6716 -2.6716 -2.3106 -2.3106 -1.3183 -1.3183 -1.0650 -1.0650 -0.2911 -0.2911 -0.0773 -0.0773 2.0565 2.0565 3.6518 3.6518 3.7862 3.7862 6.3113 6.3113 6.4192 6.4192 9.7587 9.7587 10.2537 10.2537 11.3182 11.3182 11.6058 11.6058 k = 0.3795 0.6322 0.2498 ( 8496 PWs) bands (ev): -13.4941 -13.4941 -13.4223 -13.4223 -12.8889 -12.8889 -7.6269 -7.6269 -2.6614 -2.6614 -2.3153 -2.3153 -1.3137 -1.3137 -1.0418 -1.0418 -0.2589 -0.2589 -0.0767 -0.0767 2.0597 2.0597 3.6311 3.6311 3.7789 3.7789 6.3094 6.3094 6.4278 6.4278 9.7319 9.7319 10.2558 10.2558 11.2960 11.2961 11.5424 11.5424 k = 0.3862 0.6257 0.2359 ( 8492 PWs) bands (ev): -13.5032 -13.5032 -13.4292 -13.4292 -12.8760 -12.8760 -7.6304 -7.6304 -2.6506 -2.6506 -2.3201 -2.3201 -1.3110 -1.3110 -1.0165 -1.0165 -0.2281 -0.2281 -0.0754 -0.0754 2.0629 2.0629 3.6092 3.6092 3.7725 3.7725 6.3082 6.3082 6.4363 6.4363 9.6998 9.6998 10.2575 10.2575 11.2735 11.2735 11.4815 11.4815 k = 0.3929 0.6193 0.2220 ( 8488 PWs) bands (ev): -13.5124 -13.5124 -13.4359 -13.4359 -12.8633 -12.8633 -7.6338 -7.6338 -2.6393 -2.6393 -2.3249 -2.3249 -1.3099 -1.3099 -0.9898 -0.9898 -0.1996 -0.1996 -0.0729 -0.0729 2.0660 2.0660 3.5863 3.5863 3.7671 3.7671 6.3075 6.3075 6.4446 6.4446 9.6629 9.6629 10.2588 10.2588 11.2509 11.2509 11.4236 11.4236 k = 0.3996 0.6128 0.2081 ( 8488 PWs) bands (ev): -13.5214 -13.5214 -13.4424 -13.4424 -12.8509 -12.8509 -7.6371 -7.6371 -2.6274 -2.6274 -2.3299 -2.3299 -1.3100 -1.3100 -0.9623 -0.9623 -0.1743 -0.1743 -0.0681 -0.0681 2.0690 2.0690 3.5626 3.5626 3.7627 3.7627 6.3073 6.3073 6.4528 6.4528 9.6219 9.6219 10.2598 10.2598 11.2283 11.2283 11.3688 11.3688 k = 0.4063 0.6063 0.1943 ( 8484 PWs) bands (ev): -13.5301 -13.5301 -13.4485 -13.4485 -12.8389 -12.8389 -7.6402 -7.6402 -2.6152 -2.6152 -2.3350 -2.3350 -1.3110 -1.3110 -0.9346 -0.9346 -0.1537 -0.1537 -0.0596 -0.0596 2.0718 2.0718 3.5384 3.5384 3.7591 3.7591 6.3075 6.3075 6.4607 6.4607 9.5777 9.5777 10.2605 10.2605 11.2061 11.2061 11.3173 11.3173 k = 0.4130 0.5998 0.1804 ( 8480 PWs) bands (ev): -13.5386 -13.5386 -13.4543 -13.4543 -12.8274 -12.8274 -7.6432 -7.6432 -2.6025 -2.6025 -2.3402 -2.3402 -1.3128 -1.3128 -0.9071 -0.9071 -0.1390 -0.1390 -0.0462 -0.0462 2.0745 2.0745 3.5138 3.5138 3.7564 3.7564 6.3082 6.3082 6.4683 6.4683 9.5311 9.5311 10.2610 10.2610 11.1843 11.1843 11.2694 11.2694 k = 0.4197 0.5933 0.1665 ( 8478 PWs) bands (ev): -13.5467 -13.5467 -13.4597 -13.4597 -12.8165 -12.8165 -7.6460 -7.6460 -2.5896 -2.5896 -2.3457 -2.3457 -1.3151 -1.3151 -0.8803 -0.8803 -0.1301 -0.1301 -0.0283 -0.0283 2.0770 2.0770 3.4893 3.4893 3.7545 3.7545 6.3091 6.3091 6.4755 6.4755 9.4833 9.4833 10.2613 10.2613 11.1630 11.1630 11.2252 11.2252 k = 0.4264 0.5868 0.1526 ( 8478 PWs) bands (ev): -13.5543 -13.5543 -13.4648 -13.4648 -12.8063 -12.8063 -7.6487 -7.6487 -2.5764 -2.5764 -2.3514 -2.3514 -1.3177 -1.3177 -0.8545 -0.8545 -0.1254 -0.1254 -0.0076 -0.0076 2.0794 2.0794 3.4651 3.4651 3.7533 3.7533 6.3103 6.3103 6.4824 6.4824 9.4353 9.4353 10.2614 10.2614 11.1420 11.1420 11.1852 11.1852 k = 0.4331 0.5803 0.1388 ( 8492 PWs) bands (ev): -13.5614 -13.5614 -13.4695 -13.4695 -12.7967 -12.7967 -7.6511 -7.6511 -2.5630 -2.5630 -2.3574 -2.3574 -1.3207 -1.3207 -0.8301 -0.8301 -0.1231 -0.1231 0.0143 0.0143 2.0816 2.0816 3.4414 3.4414 3.7528 3.7528 6.3117 6.3117 6.4889 6.4889 9.3879 9.3879 10.2614 10.2614 11.1205 11.1205 11.1505 11.1505 k = 0.4398 0.5738 0.1249 ( 8496 PWs) bands (ev): -13.5679 -13.5679 -13.4738 -13.4738 -12.7880 -12.7880 -7.6534 -7.6534 -2.5496 -2.5496 -2.3637 -2.3637 -1.3238 -1.3238 -0.8072 -0.8072 -0.1223 -0.1223 0.0361 0.0361 2.0835 2.0835 3.4186 3.4186 3.7528 3.7528 6.3132 6.3132 6.4949 6.4949 9.3423 9.3423 10.2613 10.2613 11.0968 11.0968 11.1229 11.1229 k = 0.4464 0.5673 0.1110 ( 8498 PWs) bands (ev): -13.5739 -13.5739 -13.4777 -13.4777 -12.7801 -12.7801 -7.6555 -7.6555 -2.5361 -2.5361 -2.3702 -2.3702 -1.3269 -1.3269 -0.7861 -0.7861 -0.1222 -0.1222 0.0569 0.0569 2.0853 2.0853 3.3971 3.3971 3.7533 3.7533 6.3147 6.3147 6.5004 6.5004 9.2991 9.2991 10.2611 10.2611 11.0712 11.0712 11.1023 11.1023 k = 0.4531 0.5608 0.0971 ( 8498 PWs) bands (ev): -13.5792 -13.5792 -13.4812 -13.4812 -12.7730 -12.7730 -7.6573 -7.6573 -2.5228 -2.5228 -2.3772 -2.3772 -1.3300 -1.3300 -0.7671 -0.7671 -0.1226 -0.1226 0.0763 0.0763 2.0869 2.0869 3.3771 3.3771 3.7541 3.7541 6.3163 6.3163 6.5054 6.5054 9.2592 9.2592 10.2610 10.2610 11.0465 11.0465 11.0861 11.0861 k = 0.4598 0.5543 0.0833 ( 8506 PWs) bands (ev): -13.5839 -13.5839 -13.4842 -13.4842 -12.7668 -12.7668 -7.6589 -7.6589 -2.5097 -2.5097 -2.3845 -2.3845 -1.3329 -1.3329 -0.7503 -0.7503 -0.1232 -0.1232 0.0939 0.0939 2.0883 2.0883 3.3591 3.3591 3.7550 3.7550 6.3177 6.3177 6.5097 6.5097 9.2233 9.2233 10.2607 10.2607 11.0243 11.0243 11.0727 11.0727 k = 0.4665 0.5478 0.0694 ( 8512 PWs) bands (ev): -13.5879 -13.5879 -13.4868 -13.4868 -12.7615 -12.7615 -7.6603 -7.6603 -2.4968 -2.4968 -2.3923 -2.3923 -1.3356 -1.3356 -0.7358 -0.7358 -0.1239 -0.1239 0.1093 0.1093 2.0895 2.0895 3.3432 3.3432 3.7561 3.7561 6.3190 6.3190 6.5135 6.5135 9.1919 9.1919 10.2605 10.2605 11.0052 11.0052 11.0615 11.0615 k = 0.4732 0.5413 0.0555 ( 8524 PWs) bands (ev): -13.5912 -13.5912 -13.4889 -13.4889 -12.7571 -12.7571 -7.6614 -7.6614 -2.4842 -2.4842 -2.4005 -2.4005 -1.3379 -1.3379 -0.7238 -0.7238 -0.1246 -0.1246 0.1223 0.1223 2.0905 2.0905 3.3297 3.3297 3.7571 3.7571 6.3202 6.3202 6.5166 6.5166 9.1656 9.1656 10.2603 10.2603 10.9895 10.9895 11.0523 11.0524 k = 0.4799 0.5348 0.0416 ( 8516 PWs) bands (ev): -13.5938 -13.5938 -13.4905 -13.4905 -12.7537 -12.7537 -7.6623 -7.6623 -2.4721 -2.4721 -2.4091 -2.4091 -1.3398 -1.3398 -0.7144 -0.7144 -0.1251 -0.1251 0.1326 0.1326 2.0913 2.0913 3.3190 3.3190 3.7580 3.7580 6.3211 6.3211 6.5191 6.5191 9.1446 9.1446 10.2602 10.2602 10.9773 10.9773 11.0452 11.0452 k = 0.4866 0.5283 0.0278 ( 8508 PWs) bands (ev): -13.5956 -13.5956 -13.4917 -13.4917 -12.7513 -12.7513 -7.6629 -7.6629 -2.4604 -2.4604 -2.4183 -2.4183 -1.3412 -1.3412 -0.7076 -0.7076 -0.1256 -0.1256 0.1401 0.1401 2.0918 2.0918 3.3112 3.3112 3.7587 3.7587 6.3218 6.3218 6.5208 6.5208 9.1295 9.1295 10.2601 10.2601 10.9686 10.9686 11.0401 11.0401 k = 0.4933 0.5218 0.0139 ( 8514 PWs) bands (ev): -13.5967 -13.5967 -13.4924 -13.4924 -12.7498 -12.7498 -7.6633 -7.6633 -2.4492 -2.4492 -2.4279 -2.4279 -1.3420 -1.3420 -0.7035 -0.7035 -0.1258 -0.1258 0.1447 0.1447 2.0921 2.0921 3.3065 3.3065 3.7592 3.7592 6.3222 6.3222 6.5219 6.5219 9.1203 9.1203 10.2600 10.2600 10.9633 10.9633 11.0371 11.0371 k = 0.5000 0.5153-0.0000 ( 8506 PWs) bands (ev): -13.5971 -13.5971 -13.4927 -13.4927 -12.7493 -12.7493 -7.6634 -7.6634 -2.4401 -2.4401 -2.4365 -2.4365 -1.3423 -1.3423 -0.7022 -0.7022 -0.1259 -0.1259 0.1462 0.1462 2.0922 2.0922 3.3049 3.3049 3.7593 3.7593 6.3223 6.3223 6.5222 6.5222 9.1172 9.1172 10.2600 10.2600 10.9616 10.9616 11.0360 11.0360 k = 0.5000 0.5153-0.0000 ( 8506 PWs) bands (ev): -13.5971 -13.5971 -13.4927 -13.4927 -12.7493 -12.7493 -7.6634 -7.6634 -2.4401 -2.4401 -2.4365 -2.4365 -1.3423 -1.3423 -0.7022 -0.7022 -0.1259 -0.1259 0.1462 0.1462 2.0922 2.0922 3.3049 3.3049 3.7593 3.7593 6.3223 6.3223 6.5222 6.5222 9.1172 9.1172 10.2600 10.2600 10.9616 10.9616 11.0360 11.0360 k = 0.4881 0.5031-0.0000 ( 8504 PWs) bands (ev): -13.5984 -13.5984 -13.4921 -13.4921 -12.7485 -12.7485 -7.6633 -7.6633 -2.4426 -2.4426 -2.4330 -2.4330 -1.3421 -1.3421 -0.7024 -0.7024 -0.1281 -0.1281 0.1458 0.1458 2.0922 2.0922 3.3049 3.3049 3.7590 3.7590 6.3231 6.3231 6.5218 6.5218 9.1191 9.1191 10.2595 10.2595 10.9574 10.9574 11.0428 11.0428 k = 0.4762 0.4908-0.0000 ( 8522 PWs) bands (ev): -13.6021 -13.6021 -13.4903 -13.4903 -12.7462 -12.7462 -7.6627 -7.6627 -2.4457 -2.4457 -2.4270 -2.4270 -1.3414 -1.3414 -0.7031 -0.7031 -0.1345 -0.1345 0.1445 0.1445 2.0922 2.0922 3.3049 3.3049 3.7582 3.7582 6.3252 6.3252 6.5205 6.5205 9.1248 9.1248 10.2582 10.2582 10.9457 10.9457 11.0621 11.0621 k = 0.4643 0.4785-0.0000 ( 8516 PWs) bands (ev): -13.6082 -13.6082 -13.4874 -13.4874 -12.7424 -12.7424 -7.6619 -7.6619 -2.4484 -2.4484 -2.4193 -2.4193 -1.3402 -1.3402 -0.7043 -0.7043 -0.1450 -0.1450 0.1424 0.1424 2.0920 2.0920 3.3049 3.3049 3.7568 3.7568 6.3288 6.3288 6.5185 6.5185 9.1344 9.1344 10.2558 10.2558 10.9277 10.9277 11.0929 11.0929 k = 0.4524 0.4663-0.0000 ( 8518 PWs) bands (ev): -13.6164 -13.6164 -13.4836 -13.4836 -12.7371 -12.7371 -7.6607 -7.6607 -2.4511 -2.4511 -2.4099 -2.4099 -1.3386 -1.3386 -0.7060 -0.7060 -0.1595 -0.1595 0.1394 0.1394 2.0918 2.0918 3.3049 3.3049 3.7548 3.7548 6.3337 6.3337 6.5156 6.5156 9.1476 9.1476 10.2524 10.2524 10.9038 10.9038 11.1348 11.1348 k = 0.4405 0.4540-0.0000 ( 8518 PWs) bands (ev): -13.6264 -13.6264 -13.4790 -13.4790 -12.7306 -12.7306 -7.6591 -7.6591 -2.4537 -2.4537 -2.3987 -2.3987 -1.3364 -1.3364 -0.7082 -0.7082 -0.1778 -0.1778 0.1356 0.1356 2.0915 2.0915 3.3050 3.3050 3.7522 3.7522 6.3401 6.3401 6.5119 6.5119 9.1646 9.1646 10.2477 10.2477 10.8743 10.8743 11.1875 11.1876 k = 0.4286 0.4417-0.0000 ( 8522 PWs) bands (ev): -13.6381 -13.6381 -13.4737 -13.4737 -12.7229 -12.7229 -7.6573 -7.6573 -2.4564 -2.4564 -2.3856 -2.3856 -1.3339 -1.3339 -0.7110 -0.7110 -0.1995 -0.1995 0.1310 0.1310 2.0911 2.0911 3.3051 3.3051 3.7490 3.7490 6.3478 6.3478 6.5074 6.5074 9.1851 9.1851 10.2415 10.2415 10.8396 10.8396 11.2511 11.2511 k = 0.4167 0.4294-0.0000 ( 8522 PWs) bands (ev): -13.6513 -13.6513 -13.4678 -13.4678 -12.7142 -12.7142 -7.6551 -7.6551 -2.4593 -2.4593 -2.3707 -2.3707 -1.3308 -1.3308 -0.7144 -0.7144 -0.2241 -0.2241 0.1257 0.1257 2.0905 2.0905 3.3054 3.3054 3.7451 3.7451 6.3569 6.3569 6.5022 6.5022 9.2091 9.2091 10.2335 10.2335 10.7999 10.7999 11.3251 11.3251 k = 0.4048 0.4172-0.0000 ( 8512 PWs) bands (ev): -13.6657 -13.6657 -13.4612 -13.4612 -12.7046 -12.7046 -7.6527 -7.6527 -2.4626 -2.4626 -2.3539 -2.3539 -1.3273 -1.3273 -0.7185 -0.7185 -0.2514 -0.2514 0.1197 0.1197 2.0897 2.0897 3.3059 3.3059 3.7405 3.7405 6.3673 6.3673 6.4964 6.4964 9.2366 9.2366 10.2235 10.2235 10.7558 10.7558 11.4091 11.4091 k = 0.3929 0.4049-0.0000 ( 8516 PWs) bands (ev): -13.6812 -13.6812 -13.4541 -13.4541 -12.6943 -12.6943 -7.6499 -7.6499 -2.4662 -2.4662 -2.3354 -2.3354 -1.3233 -1.3233 -0.7235 -0.7235 -0.2807 -0.2807 0.1130 0.1130 2.0888 2.0888 3.3065 3.3065 3.7353 3.7353 6.3790 6.3790 6.4899 6.4899 9.2672 9.2672 10.2112 10.2112 10.7077 10.7077 11.5025 11.5025 k = 0.3810 0.3926-0.0000 ( 8504 PWs) bands (ev): -13.6977 -13.6977 -13.4464 -13.4464 -12.6834 -12.6834 -7.6468 -7.6468 -2.4702 -2.4702 -2.3152 -2.3152 -1.3189 -1.3189 -0.7296 -0.7296 -0.3115 -0.3115 0.1056 0.1056 2.0875 2.0875 3.3073 3.3073 3.7294 3.7294 6.3918 6.3918 6.4830 6.4830 9.3009 9.3009 10.1963 10.1963 10.6562 10.6562 11.6047 11.6048 k = 0.3690 0.3804-0.0000 ( 8502 PWs) bands (ev): -13.7149 -13.7149 -13.4382 -13.4382 -12.6720 -12.6720 -7.6435 -7.6435 -2.4746 -2.4746 -2.2936 -2.2936 -1.3141 -1.3141 -0.7370 -0.7370 -0.3429 -0.3429 0.0978 0.0978 2.0860 2.0860 3.3084 3.3084 3.7227 3.7227 6.4058 6.4058 6.4756 6.4756 9.3375 9.3375 10.1784 10.1784 10.6018 10.6018 11.7044 11.7048 k = 0.3571 0.3681-0.0000 ( 8496 PWs) bands (ev): -13.7327 -13.7327 -13.4294 -13.4294 -12.6604 -12.6604 -7.6400 -7.6400 -2.4794 -2.4794 -2.2706 -2.2706 -1.3090 -1.3090 -0.7460 -0.7460 -0.3742 -0.3742 0.0894 0.0894 2.0843 2.0843 3.3098 3.3098 3.7153 3.7153 6.4204 6.4204 6.4682 6.4682 9.3767 9.3767 10.1573 10.1573 10.5451 10.5451 11.7186 11.8323 k = 0.3452 0.3558-0.0000 ( 8480 PWs) bands (ev): -13.7511 -13.7511 -13.4202 -13.4202 -12.6486 -12.6486 -7.6362 -7.6362 -2.4848 -2.4848 -2.2464 -2.2464 -1.3035 -1.3035 -0.7571 -0.7571 -0.4045 -0.4045 0.0805 0.0805 2.0822 2.0822 3.3116 3.3116 3.7071 3.7071 6.4342 6.4342 6.4623 6.4623 9.4183 9.4183 10.1328 10.1328 10.4868 10.4868 11.7319 11.7319 k = 0.3333 0.3436-0.0000 ( 8492 PWs) bands (ev): -13.7698 -13.7698 -13.4105 -13.4105 -12.6368 -12.6368 -7.6323 -7.6323 -2.4906 -2.4906 -2.2212 -2.2212 -1.2978 -1.2978 -0.7707 -0.7707 -0.4327 -0.4327 0.0713 0.0713 2.0798 2.0798 3.3137 3.3137 3.6981 3.6981 6.4401 6.4401 6.4651 6.4651 9.4618 9.4618 10.1047 10.1047 10.4273 10.4273 11.7459 11.7459 k = 0.3214 0.3313-0.0000 ( 8500 PWs) bands (ev): -13.7888 -13.7888 -13.4004 -13.4004 -12.6250 -12.6250 -7.6281 -7.6281 -2.4970 -2.4970 -2.1953 -2.1953 -1.2921 -1.2921 -0.7871 -0.7871 -0.4581 -0.4581 0.0617 0.0617 2.0772 2.0772 3.3162 3.3162 3.6883 3.6883 6.4347 6.4347 6.4799 6.4799 9.5070 9.5070 10.0728 10.0728 10.3673 10.3673 11.7604 11.7604 k = 0.3095 0.3190-0.0000 ( 8504 PWs) bands (ev): -13.8078 -13.8078 -13.3899 -13.3899 -12.6134 -12.6134 -7.6238 -7.6238 -2.5039 -2.5039 -2.1687 -2.1687 -1.2864 -1.2864 -0.8064 -0.8064 -0.4797 -0.4797 0.0519 0.0519 2.0742 2.0742 3.3191 3.3191 3.6778 3.6778 6.4261 6.4261 6.4986 6.4986 9.5532 9.5532 10.0373 10.0373 10.3076 10.3076 11.7754 11.7754 k = 0.2976 0.3067-0.0000 ( 8522 PWs) bands (ev): -13.8270 -13.8270 -13.3790 -13.3790 -12.6020 -12.6020 -7.6193 -7.6193 -2.5113 -2.5113 -2.1418 -2.1418 -1.2810 -1.2810 -0.8286 -0.8286 -0.4973 -0.4973 0.0419 0.0419 2.0708 2.0708 3.3225 3.3225 3.6666 3.6666 6.4165 6.4165 6.5189 6.5189 9.5995 9.5995 9.9981 9.9981 10.2491 10.2491 11.7907 11.7908 k = 0.2857 0.2945-0.0000 ( 8522 PWs) bands (ev): -13.8460 -13.8460 -13.3678 -13.3678 -12.5909 -12.5909 -7.6147 -7.6147 -2.5192 -2.5192 -2.1147 -2.1147 -1.2763 -1.2763 -0.8530 -0.8530 -0.5105 -0.5105 0.0318 0.0318 2.0672 2.0672 3.3263 3.3263 3.6547 3.6547 6.4065 6.4065 6.5404 6.5404 9.6448 9.6448 9.9556 9.9556 10.1931 10.1931 11.8064 11.8064 k = 0.2738 0.2822-0.0000 ( 8520 PWs) bands (ev): -13.8648 -13.8648 -13.3564 -13.3564 -12.5802 -12.5802 -7.6101 -7.6101 -2.5277 -2.5277 -2.0877 -2.0877 -1.2727 -1.2727 -0.8787 -0.8787 -0.5197 -0.5197 0.0217 0.0217 2.0634 2.0634 3.3306 3.3306 3.6422 3.6422 6.3964 6.3964 6.5628 6.5628 9.6870 9.6870 9.9099 9.9099 10.1414 10.1414 11.8223 11.8224 k = 0.2619 0.2699-0.0000 ( 8518 PWs) bands (ev): -13.8834 -13.8834 -13.3447 -13.3447 -12.5700 -12.5700 -7.6053 -7.6053 -2.5366 -2.5366 -2.0610 -2.0610 -1.2707 -1.2707 -0.9043 -0.9043 -0.5251 -0.5251 0.0115 0.0115 2.0592 2.0592 3.3354 3.3354 3.6291 3.6291 6.3860 6.3860 6.5860 6.5860 9.7227 9.7227 9.8616 9.8616 10.0974 10.0974 11.8384 11.8384 k = 0.2500 0.2577-0.0000 ( 8516 PWs) bands (ev): -13.9017 -13.9017 -13.3329 -13.3329 -12.5602 -12.5602 -7.6006 -7.6006 -2.5460 -2.5460 -2.0348 -2.0348 -1.2712 -1.2712 -0.9286 -0.9286 -0.5273 -0.5273 0.0015 0.0015 2.0548 2.0548 3.3405 3.3405 3.6156 3.6156 6.3757 6.3757 6.6099 6.6099 9.7462 9.7462 9.8111 9.8111 10.0665 10.0665 11.8545 11.8545 k = 0.2381 0.2454-0.0000 ( 8518 PWs) bands (ev): -13.9196 -13.9196 -13.3209 -13.3209 -12.5509 -12.5509 -7.5958 -7.5958 -2.5558 -2.5558 -2.0093 -2.0093 -1.2747 -1.2747 -0.9500 -0.9500 -0.5267 -0.5267 -0.0083 -0.0083 2.0503 2.0503 3.3461 3.3461 3.6017 3.6017 6.3654 6.3654 6.6343 6.6343 9.7479 9.7479 9.7618 9.7618 10.0549 10.0549 11.8705 11.8705 k = 0.2262 0.2331-0.0000 ( 8522 PWs) bands (ev): -13.9369 -13.9369 -13.3089 -13.3089 -12.5421 -12.5421 -7.5910 -7.5910 -2.5659 -2.5659 -1.9847 -1.9847 -1.2822 -1.2822 -0.9673 -0.9673 -0.5237 -0.5237 -0.0178 -0.0178 2.0455 2.0455 3.3519 3.3519 3.5875 3.5875 6.3552 6.3552 6.6593 6.6593 9.7026 9.7026 9.7375 9.7375 10.0640 10.0640 11.8863 11.8863 k = 0.2143 0.2209-0.0000 ( 8524 PWs) bands (ev): -13.9538 -13.9538 -13.2969 -13.2969 -12.5339 -12.5339 -7.5863 -7.5863 -2.5764 -2.5764 -1.9612 -1.9612 -1.2938 -1.2938 -0.9797 -0.9797 -0.5187 -0.5187 -0.0270 -0.0270 2.0406 2.0406 3.3580 3.3580 3.5732 3.5732 6.3452 6.3452 6.6846 6.6846 9.6480 9.6480 9.7061 9.7061 10.0881 10.0881 11.9009 11.9050 k = 0.2024 0.2086-0.0000 ( 8516 PWs) bands (ev): -13.9700 -13.9700 -13.2850 -13.2850 -12.5263 -12.5263 -7.5816 -7.5816 -2.5872 -2.5872 -1.9389 -1.9389 -1.3095 -1.3095 -0.9870 -0.9870 -0.5120 -0.5120 -0.0358 -0.0358 2.0355 2.0355 3.3643 3.3643 3.5590 3.5590 6.3354 6.3354 6.7101 6.7101 9.5926 9.5926 9.6664 9.6664 10.1192 10.1192 11.7780 11.7780 k = 0.1905 0.1963-0.0000 ( 8528 PWs) bands (ev): -13.9856 -13.9856 -13.2733 -13.2733 -12.5193 -12.5193 -7.5771 -7.5771 -2.5981 -2.5981 -1.9178 -1.9178 -1.3288 -1.3288 -0.9897 -0.9897 -0.5038 -0.5038 -0.0440 -0.0440 2.0304 2.0304 3.3705 3.3705 3.5451 3.5451 6.3258 6.3258 6.7357 6.7357 9.5372 9.5372 9.6229 9.6229 10.1516 10.1516 11.6475 11.6475 k = 0.1786 0.1840-0.0000 ( 8522 PWs) bands (ev): -14.0004 -14.0004 -13.2617 -13.2617 -12.5128 -12.5128 -7.5726 -7.5726 -2.6091 -2.6091 -1.8981 -1.8981 -1.3506 -1.3506 -0.9883 -0.9883 -0.4946 -0.4946 -0.0517 -0.0517 2.0253 2.0253 3.3765 3.3765 3.5318 3.5318 6.3166 6.3166 6.7613 6.7613 9.4823 9.4823 9.5782 9.5782 10.1810 10.1810 11.5267 11.5267 k = 0.1667 0.1718-0.0000 ( 8524 PWs) bands (ev): -14.0145 -14.0145 -13.2504 -13.2504 -12.5069 -12.5069 -7.5683 -7.5683 -2.6201 -2.6201 -1.8799 -1.8799 -1.3739 -1.3739 -0.9839 -0.9839 -0.4845 -0.4845 -0.0586 -0.0586 2.0201 2.0201 3.3820 3.3820 3.5194 3.5194 6.3077 6.3077 6.7867 6.7867 9.4284 9.4284 9.5338 9.5338 10.2041 10.2041 11.4185 11.4185 k = 0.1548 0.1595-0.0000 ( 8522 PWs) bands (ev): -14.0279 -14.0279 -13.2395 -13.2395 -12.5016 -12.5016 -7.5642 -7.5642 -2.6310 -2.6310 -1.8630 -1.8630 -1.3980 -1.3980 -0.9772 -0.9772 -0.4739 -0.4739 -0.0648 -0.0648 2.0151 2.0151 3.3866 3.3866 3.5083 3.5083 6.2993 6.2993 6.8118 6.8118 9.3758 9.3758 9.4906 9.4906 10.2178 10.2178 11.3258 11.3258 k = 0.1429 0.1472-0.0000 ( 8522 PWs) bands (ev): -14.0403 -14.0403 -13.2291 -13.2291 -12.4968 -12.4968 -7.5603 -7.5603 -2.6417 -2.6417 -1.8476 -1.8476 -1.4220 -1.4220 -0.9690 -0.9690 -0.4631 -0.4631 -0.0702 -0.0702 2.0101 2.0101 3.3899 3.3899 3.4991 3.4991 6.2913 6.2913 6.8363 6.8363 9.3250 9.3250 9.4492 9.4492 10.2200 10.2200 11.2510 11.2510 k = 0.1310 0.1350-0.0000 ( 8540 PWs) bands (ev): -14.0519 -14.0519 -13.2191 -13.2191 -12.4926 -12.4926 -7.5566 -7.5566 -2.6521 -2.6521 -1.8335 -1.8335 -1.4454 -1.4454 -0.9599 -0.9599 -0.4524 -0.4524 -0.0747 -0.0747 2.0053 2.0053 3.3912 3.3912 3.4923 3.4923 6.2838 6.2838 6.8600 6.8600 9.2764 9.2764 9.4099 9.4099 10.2093 10.2093 11.1954 11.1954 k = 0.1190 0.1227-0.0000 ( 8532 PWs) bands (ev): -14.0626 -14.0626 -13.2097 -13.2097 -12.4888 -12.4888 -7.5531 -7.5531 -2.6620 -2.6620 -1.8207 -1.8207 -1.4678 -1.4678 -0.9504 -0.9504 -0.4420 -0.4420 -0.0783 -0.0783 2.0006 2.0006 3.3905 3.3905 3.4882 3.4882 6.2769 6.2769 6.8828 6.8828 9.2304 9.2304 9.3730 9.3730 10.1862 10.1862 11.1584 11.1584 k = 0.1071 0.1104-0.0000 ( 8533 PWs) bands (ev): -14.0724 -14.0724 -13.2009 -13.2009 -12.4855 -12.4855 -7.5499 -7.5499 -2.6715 -2.6715 -1.8093 -1.8093 -1.4889 -1.4889 -0.9408 -0.9408 -0.4321 -0.4321 -0.0810 -0.0810 1.9963 1.9963 3.3876 3.3876 3.4867 3.4867 6.2705 6.2705 6.9045 6.9045 9.1874 9.1874 9.3388 9.3388 10.1529 10.1529 11.1379 11.1379 k = 0.0952 0.0982-0.0000 ( 8535 PWs) bands (ev): -14.0812 -14.0812 -13.1929 -13.1929 -12.4827 -12.4827 -7.5470 -7.5470 -2.6802 -2.6802 -1.7991 -1.7991 -1.5084 -1.5084 -0.9315 -0.9315 -0.4230 -0.4230 -0.0829 -0.0829 1.9922 1.9922 3.3831 3.3831 3.4874 3.4874 6.2647 6.2647 6.9247 6.9247 9.1477 9.1477 9.3075 9.3075 10.1129 10.1129 11.1304 11.1304 k = 0.0833 0.0859-0.0000 ( 8535 PWs) bands (ev): -14.0890 -14.0890 -13.1856 -13.1856 -12.4803 -12.4803 -7.5444 -7.5444 -2.6883 -2.6883 -1.7900 -1.7900 -1.5261 -1.5261 -0.9228 -0.9228 -0.4149 -0.4149 -0.0840 -0.0840 1.9884 1.9884 3.3776 3.3776 3.4896 3.4896 6.2595 6.2595 6.9433 6.9433 9.1117 9.1117 9.2793 9.2793 10.0699 10.0699 11.1321 11.1321 k = 0.0714 0.0736-0.0000 ( 8531 PWs) bands (ev): -14.0959 -14.0959 -13.1791 -13.1791 -12.4782 -12.4782 -7.5421 -7.5421 -2.6955 -2.6955 -1.7821 -1.7821 -1.5418 -1.5418 -0.9148 -0.9148 -0.4078 -0.4078 -0.0844 -0.0844 1.9851 1.9851 3.3719 3.3719 3.4926 3.4926 6.2550 6.2550 6.9601 6.9601 9.0798 9.0798 9.2544 9.2544 10.0272 10.0272 11.1394 11.1394 k = 0.0595 0.0613-0.0000 ( 8541 PWs) bands (ev): -14.1017 -14.1017 -13.1736 -13.1736 -12.4766 -12.4766 -7.5401 -7.5401 -2.7017 -2.7017 -1.7753 -1.7753 -1.5555 -1.5555 -0.9077 -0.9077 -0.4019 -0.4019 -0.0844 -0.0844 1.9822 1.9822 3.3663 3.3663 3.4959 3.4959 6.2511 6.2511 6.9747 6.9747 9.0521 9.0521 9.2329 9.2329 9.9875 9.9875 11.1496 11.1496 k = 0.0476 0.0491-0.0000 ( 8549 PWs) bands (ev): -14.1064 -14.1064 -13.1690 -13.1690 -12.4753 -12.4753 -7.5385 -7.5385 -2.7069 -2.7069 -1.7696 -1.7696 -1.5669 -1.5669 -0.9017 -0.9017 -0.3971 -0.3971 -0.0840 -0.0840 1.9798 1.9798 3.3614 3.3614 3.4990 3.4990 6.2479 6.2479 6.9870 6.9870 9.0291 9.0291 9.2150 9.2150 9.9528 9.9528 11.1605 11.1605 k = 0.0357 0.0368-0.0000 ( 8527 PWs) bands (ev): -14.1101 -14.1101 -13.1653 -13.1653 -12.4743 -12.4743 -7.5372 -7.5372 -2.7111 -2.7111 -1.7651 -1.7651 -1.5760 -1.5760 -0.8970 -0.8970 -0.3934 -0.3934 -0.0835 -0.0835 1.9778 1.9778 3.3573 3.3573 3.5017 3.5017 6.2454 6.2454 6.9969 6.9969 9.0108 9.0108 9.2009 9.2009 9.9245 9.9245 11.1705 11.1705 k = 0.0238 0.0245-0.0000 ( 8527 PWs) bands (ev): -14.1128 -14.1128 -13.1627 -13.1627 -12.4736 -12.4736 -7.5363 -7.5363 -2.7141 -2.7141 -1.7618 -1.7618 -1.5826 -1.5826 -0.8935 -0.8935 -0.3907 -0.3907 -0.0830 -0.0830 1.9764 1.9764 3.3543 3.3543 3.5038 3.5038 6.2436 6.2436 7.0040 7.0040 8.9977 8.9977 9.1908 9.1908 9.9038 9.9038 11.1783 11.1783 k = 0.0119 0.0123-0.0000 ( 8527 PWs) bands (ev): -14.1144 -14.1144 -13.1611 -13.1611 -12.4732 -12.4732 -7.5357 -7.5357 -2.7159 -2.7159 -1.7598 -1.7598 -1.5866 -1.5866 -0.8914 -0.8914 -0.3892 -0.3892 -0.0826 -0.0826 1.9756 1.9756 3.3524 3.3524 3.5051 3.5051 6.2425 6.2425 7.0083 7.0083 8.9897 8.9897 9.1846 9.1846 9.8910 9.8910 11.1833 11.1833 k = 0.0000 0.0000 0.0000 ( 8527 PWs) bands (ev): -14.1149 -14.1149 -13.1606 -13.1606 -12.4730 -12.4730 -7.5356 -7.5356 -2.7165 -2.7165 -1.7591 -1.7591 -1.5880 -1.5880 -0.8907 -0.8907 -0.3887 -0.3887 -0.0825 -0.0825 1.9753 1.9753 3.3518 3.3518 3.5055 3.5055 6.2422 6.2422 7.0098 7.0098 8.9871 8.9871 9.1825 9.1825 9.8868 9.8868 11.1851 11.1851 k = 0.0000 0.0000 0.0000 ( 8527 PWs) bands (ev): -14.1149 -14.1149 -13.1606 -13.1606 -12.4730 -12.4730 -7.5356 -7.5356 -2.7165 -2.7165 -1.7591 -1.7591 -1.5880 -1.5880 -0.8907 -0.8907 -0.3887 -0.3887 -0.0825 -0.0825 1.9753 1.9753 3.3518 3.3518 3.5055 3.5055 6.2422 6.2422 7.0098 7.0098 8.9871 8.9871 9.1825 9.1825 9.8868 9.8868 11.1851 11.1851 k = 0.0101-0.0098 0.0094 ( 8523 PWs) bands (ev): -14.1145 -14.1145 -13.1610 -13.1610 -12.4733 -12.4733 -7.5355 -7.5355 -2.7156 -2.7156 -1.7598 -1.7598 -1.5871 -1.5871 -0.8901 -0.8901 -0.3889 -0.3889 -0.0850 -0.0850 1.9760 1.9760 3.3522 3.3522 3.5058 3.5058 6.2428 6.2428 7.0087 7.0087 8.9780 8.9780 9.1971 9.1971 9.8890 9.8890 11.1862 11.1862 k = 0.0201-0.0195 0.0189 ( 8523 PWs) bands (ev): -14.1131 -14.1131 -13.1620 -13.1620 -12.4742 -12.4742 -7.5354 -7.5354 -2.7131 -2.7131 -1.7620 -1.7620 -1.5844 -1.5844 -0.8882 -0.8882 -0.3897 -0.3897 -0.0925 -0.0925 1.9781 1.9781 3.3532 3.3532 3.5068 3.5068 6.2446 6.2446 7.0056 7.0056 8.9566 8.9566 9.2346 9.2346 9.8959 9.8959 11.1897 11.1897 k = 0.0302-0.0293 0.0283 ( 8525 PWs) bands (ev): -14.1108 -14.1108 -13.1638 -13.1638 -12.4757 -12.4757 -7.5351 -7.5351 -2.7090 -2.7090 -1.7657 -1.7657 -1.5800 -1.5800 -0.8852 -0.8852 -0.3910 -0.3910 -0.1048 -0.1048 1.9815 1.9815 3.3550 3.3550 3.5083 3.5083 6.2475 6.2475 7.0004 7.0004 8.9319 8.9319 9.2861 9.2861 9.9076 9.9076 11.1954 11.1954 k = 0.0403-0.0391 0.0377 ( 8515 PWs) bands (ev): -14.1076 -14.1076 -13.1663 -13.1663 -12.4777 -12.4777 -7.5348 -7.5348 -2.7032 -2.7032 -1.7708 -1.7708 -1.5738 -1.5738 -0.8809 -0.8809 -0.3929 -0.3929 -0.1214 -0.1214 1.9861 1.9861 3.3575 3.3575 3.5104 3.5104 6.2516 6.2516 6.9931 6.9931 8.9085 8.9085 9.3464 9.3464 9.9241 9.9241 11.2034 11.2034 k = 0.0503-0.0488 0.0471 ( 8511 PWs) bands (ev): -14.1035 -14.1035 -13.1694 -13.1694 -12.4803 -12.4803 -7.5344 -7.5344 -2.6959 -2.6959 -1.7773 -1.7773 -1.5660 -1.5660 -0.8754 -0.8754 -0.3956 -0.3956 -0.1420 -0.1420 1.9916 1.9916 3.3606 3.3606 3.5130 3.5130 6.2568 6.2568 6.9839 6.9839 8.8887 8.8887 9.4128 9.4128 9.9457 9.9457 11.2136 11.2136 k = 0.0604-0.0586 0.0566 ( 8525 PWs) bands (ev): -14.0985 -14.0985 -13.1732 -13.1732 -12.4835 -12.4835 -7.5340 -7.5340 -2.6871 -2.6871 -1.7853 -1.7853 -1.5565 -1.5565 -0.8688 -0.8688 -0.3993 -0.3993 -0.1658 -0.1658 1.9978 1.9978 3.3645 3.3645 3.5162 3.5162 6.2630 6.2630 6.9727 6.9727 8.8732 8.8732 9.4836 9.4836 9.9730 9.9730 11.2260 11.2260 k = 0.0705-0.0684 0.0660 ( 8521 PWs) bands (ev): -14.0926 -14.0926 -13.1777 -13.1777 -12.4872 -12.4872 -7.5335 -7.5335 -2.6768 -2.6768 -1.7946 -1.7946 -1.5454 -1.5454 -0.8609 -0.8609 -0.4043 -0.4043 -0.1920 -0.1920 2.0045 2.0045 3.3689 3.3689 3.5199 3.5199 6.2702 6.2702 6.9597 6.9597 8.8626 8.8626 9.5571 9.5571 10.0067 10.0067 11.2406 11.2406 k = 0.0805-0.0781 0.0754 ( 8509 PWs) bands (ev): -14.0859 -14.0859 -13.1827 -13.1827 -12.4914 -12.4914 -7.5331 -7.5331 -2.6653 -2.6653 -1.8053 -1.8053 -1.5327 -1.5327 -0.8519 -0.8519 -0.4114 -0.4114 -0.2193 -0.2193 2.0114 2.0114 3.3741 3.3741 3.5240 3.5240 6.2782 6.2782 6.9449 6.9449 8.8570 8.8570 9.6318 9.6318 10.0476 10.0476 11.2571 11.2571 k = 0.0906-0.0879 0.0849 ( 8517 PWs) bands (ev): -14.0783 -14.0783 -13.1884 -13.1884 -12.4961 -12.4961 -7.5326 -7.5326 -2.6525 -2.6525 -1.8174 -1.8174 -1.5185 -1.5185 -0.8418 -0.8418 -0.4216 -0.4216 -0.2462 -0.2462 2.0183 2.0183 3.3798 3.3798 3.5286 3.5286 6.2870 6.2870 6.9284 6.9284 8.8564 8.8564 9.7055 9.7055 10.0970 10.0970 11.2757 11.2757 k = 0.1007-0.0977 0.0943 ( 8517 PWs) bands (ev): -14.0699 -14.0699 -13.1947 -13.1947 -12.5013 -12.5013 -7.5322 -7.5322 -2.6386 -2.6386 -1.8309 -1.8309 -1.5028 -1.5028 -0.8306 -0.8306 -0.4361 -0.4361 -0.2709 -0.2709 2.0251 2.0251 3.3861 3.3861 3.5335 3.5335 6.2965 6.2965 6.9103 6.9103 8.8606 8.8606 9.7762 9.7762 10.1563 10.1563 11.2962 11.2962 k = 0.1107-0.1075 0.1037 ( 8529 PWs) bands (ev): -14.0607 -14.0607 -13.2015 -13.2015 -12.5070 -12.5070 -7.5318 -7.5318 -2.6237 -2.6237 -1.8457 -1.8457 -1.4856 -1.4856 -0.8184 -0.8184 -0.4563 -0.4563 -0.2914 -0.2914 2.0314 2.0314 3.3929 3.3929 3.5387 3.5387 6.3065 6.3065 6.8907 6.8907 8.8696 8.8696 9.8418 9.8418 10.2267 10.2267 11.3185 11.3185 k = 0.1208-0.1172 0.1131 ( 8507 PWs) bands (ev): -14.0507 -14.0507 -13.2088 -13.2088 -12.5131 -12.5131 -7.5316 -7.5316 -2.6081 -2.6081 -1.8619 -1.8619 -1.4670 -1.4670 -0.8050 -0.8050 -0.4827 -0.4827 -0.3067 -0.3067 2.0373 2.0373 3.4003 3.4003 3.5442 3.5442 6.3170 6.3170 6.8697 6.8697 8.8829 8.8829 9.9009 9.9009 10.3083 10.3083 11.3426 11.3426 k = 0.1309-0.1270 0.1226 ( 8505 PWs) bands (ev): -14.0400 -14.0400 -13.2166 -13.2166 -12.5196 -12.5196 -7.5314 -7.5314 -2.5917 -2.5917 -1.8794 -1.8794 -1.4471 -1.4471 -0.7907 -0.7907 -0.5146 -0.5146 -0.3171 -0.3171 2.0426 2.0426 3.4081 3.4081 3.5498 3.5498 6.3278 6.3278 6.8475 6.8475 8.9004 8.9004 9.9528 9.9528 10.4006 10.4006 11.3684 11.3684 k = 0.1410-0.1368 0.1320 ( 8507 PWs) bands (ev): -14.0286 -14.0286 -13.2249 -13.2249 -12.5265 -12.5265 -7.5315 -7.5315 -2.5748 -2.5748 -1.8981 -1.8981 -1.4259 -1.4259 -0.7754 -0.7754 -0.5505 -0.5505 -0.3234 -0.3234 2.0471 2.0471 3.4164 3.4164 3.5555 3.5555 6.3389 6.3389 6.8242 6.8242 8.9219 8.9219 9.9972 9.9972 10.5022 10.5022 11.3957 11.3957 k = 0.1510-0.1465 0.1414 ( 8509 PWs) bands (ev): -14.0166 -14.0166 -13.2336 -13.2336 -12.5337 -12.5337 -7.5317 -7.5317 -2.5576 -2.5576 -1.9180 -1.9180 -1.4034 -1.4034 -0.7592 -0.7592 -0.5889 -0.5889 -0.3267 -0.3267 2.0510 2.0510 3.4250 3.4250 3.5613 3.5613 6.3501 6.3501 6.7999 6.7999 8.9468 8.9468 10.0337 10.0337 10.6113 10.6113 11.4006 11.4006 k = 0.1611-0.1563 0.1509 ( 8513 PWs) bands (ev): -14.0039 -14.0039 -13.2426 -13.2426 -12.5412 -12.5412 -7.5321 -7.5321 -2.5402 -2.5402 -1.9390 -1.9390 -1.3797 -1.3797 -0.7424 -0.7424 -0.6284 -0.6284 -0.3277 -0.3277 2.0542 2.0542 3.4340 3.4340 3.5671 3.5671 6.3614 6.3614 6.7748 6.7748 8.9751 8.9751 10.0615 10.0615 10.7261 10.7261 11.3524 11.3524 k = 0.1712-0.1661 0.1603 ( 8517 PWs) bands (ev): -13.9906 -13.9906 -13.2519 -13.2519 -12.5490 -12.5490 -7.5329 -7.5329 -2.5229 -2.5229 -1.9610 -1.9610 -1.3549 -1.3549 -0.7262 -0.7262 -0.6671 -0.6671 -0.3270 -0.3270 2.0567 2.0567 3.4432 3.4432 3.5728 3.5728 6.3726 6.3726 6.7490 6.7490 9.0062 9.0062 10.0795 10.0795 10.8445 10.8445 11.3182 11.3182 k = 0.1812-0.1758 0.1697 ( 8517 PWs) bands (ev): -13.9768 -13.9768 -13.2616 -13.2616 -12.5570 -12.5570 -7.5339 -7.5339 -2.5058 -2.5058 -1.9838 -1.9838 -1.3292 -1.3292 -0.7239 -0.7239 -0.6909 -0.6909 -0.3248 -0.3248 2.0585 2.0585 3.4526 3.4526 3.5783 3.5783 6.3836 6.3836 6.7227 6.7227 9.0399 9.0399 10.0866 10.0866 10.9629 10.9629 11.3023 11.3023 k = 0.1913-0.1856 0.1792 ( 8515 PWs) bands (ev): -13.9624 -13.9624 -13.2715 -13.2715 -12.5652 -12.5652 -7.5352 -7.5352 -2.4891 -2.4891 -2.0074 -2.0074 -1.3025 -1.3025 -0.7565 -0.7565 -0.6784 -0.6784 -0.3213 -0.3213 2.0598 2.0598 3.4622 3.4622 3.5836 3.5836 6.3945 6.3945 6.6961 6.6961 9.0757 9.0757 10.0822 10.0822 11.0733 11.0733 11.3131 11.3131 k = 0.2014-0.1954 0.1886 ( 8539 PWs) bands (ev): -13.9476 -13.9476 -13.2816 -13.2816 -12.5736 -12.5736 -7.5368 -7.5368 -2.4730 -2.4730 -2.0316 -2.0316 -1.2750 -1.2750 -0.7949 -0.7949 -0.6583 -0.6583 -0.3168 -0.3168 2.0606 2.0606 3.4717 3.4717 3.5886 3.5886 6.4050 6.4050 6.6693 6.6693 9.1135 9.1135 10.0665 10.0665 11.1597 11.1597 11.3656 11.3656 k = 0.2114-0.2051 0.1980 ( 8539 PWs) bands (ev): -13.9325 -13.9325 -13.2919 -13.2919 -12.5822 -12.5822 -7.5388 -7.5388 -2.4578 -2.4578 -2.0561 -2.0561 -1.2469 -1.2469 -0.8332 -0.8332 -0.6364 -0.6364 -0.3114 -0.3114 2.0609 2.0609 3.4811 3.4811 3.5934 3.5934 6.4151 6.4151 6.6426 6.6426 9.1527 9.1527 10.0408 10.0408 11.2159 11.2159 11.4638 11.4638 k = 0.2215-0.2149 0.2074 ( 8539 PWs) bands (ev): -13.9169 -13.9169 -13.3023 -13.3023 -12.5908 -12.5908 -7.5412 -7.5412 -2.4435 -2.4435 -2.0808 -2.0808 -1.2182 -1.2182 -0.8704 -0.8704 -0.6131 -0.6131 -0.3050 -0.3050 2.0610 2.0610 3.4902 3.4902 3.5979 3.5979 6.4249 6.4249 6.6160 6.6160 9.1930 9.1930 10.0068 10.0068 11.2589 11.2589 11.5852 11.5852 k = 0.2316-0.2247 0.2169 ( 8531 PWs) bands (ev): -13.9011 -13.9011 -13.3127 -13.3127 -12.5995 -12.5995 -7.5440 -7.5440 -2.4304 -2.4304 -2.1055 -2.1055 -1.1892 -1.1892 -0.9064 -0.9064 -0.5887 -0.5887 -0.2978 -0.2978 2.0609 2.0609 3.4987 3.4987 3.6022 3.6022 6.4341 6.4341 6.5898 6.5898 9.2340 9.2340 9.9667 9.9667 11.3006 11.3006 11.6827 11.6827 k = 0.2416-0.2344 0.2263 ( 8533 PWs) bands (ev): -13.8850 -13.8850 -13.3233 -13.3233 -12.6083 -12.6083 -7.5472 -7.5472 -2.4187 -2.4187 -2.1299 -2.1299 -1.1600 -1.1600 -0.9408 -0.9408 -0.5632 -0.5632 -0.2898 -0.2898 2.0606 2.0606 3.5065 3.5065 3.6064 3.6064 6.4429 6.4429 6.5642 6.5642 9.2751 9.2751 9.9228 9.9228 11.3431 11.3431 11.7261 11.7261 k = 0.2517-0.2442 0.2357 ( 8537 PWs) bands (ev): -13.8688 -13.8688 -13.3337 -13.3337 -12.6170 -12.6170 -7.5507 -7.5507 -2.4086 -2.4086 -2.1538 -2.1538 -1.1309 -1.1309 -0.9736 -0.9736 -0.5366 -0.5366 -0.2811 -0.2811 2.0604 2.0604 3.5131 3.5131 3.6107 3.6107 6.4510 6.4510 6.5394 6.5394 9.3156 9.3156 9.8774 9.8774 11.3855 11.3855 11.7621 11.7621 k = 0.2618-0.2540 0.2452 ( 8531 PWs) bands (ev): -13.8524 -13.8524 -13.3442 -13.3442 -12.6257 -12.6257 -7.5547 -7.5547 -2.4002 -2.4002 -2.1769 -2.1769 -1.1023 -1.1023 -1.0044 -1.0044 -0.5091 -0.5091 -0.2718 -0.2718 2.0601 2.0601 3.5183 3.5183 3.6154 3.6154 6.4585 6.4585 6.5156 6.5156 9.3544 9.3544 9.8327 9.8327 11.4257 11.4257 11.7950 11.7950 k = 0.2718-0.2637 0.2546 ( 8539 PWs) bands (ev): -13.8361 -13.8361 -13.3545 -13.3545 -12.6343 -12.6343 -7.5590 -7.5590 -2.3938 -2.3938 -2.1988 -2.1988 -1.0759 -1.0759 -1.0315 -1.0315 -0.4805 -0.4805 -0.2617 -0.2617 2.0600 2.0600 3.5217 3.5217 3.6205 3.6205 6.4648 6.4648 6.4934 6.4934 9.3899 9.3899 9.7915 9.7915 11.4613 11.4613 11.8241 11.8241 k = 0.2819-0.2735 0.2640 ( 8543 PWs) bands (ev): -13.8197 -13.8197 -13.3648 -13.3648 -12.6428 -12.6428 -7.5637 -7.5637 -2.3895 -2.3895 -2.2194 -2.2194 -1.0712 -1.0712 -1.0358 -1.0358 -0.4511 -0.4511 -0.2511 -0.2511 2.0600 2.0600 3.5229 3.5229 3.6265 3.6265 6.4645 6.4645 6.4785 6.4785 9.4194 9.4194 9.7570 9.7570 11.4901 11.4901 11.8475 11.8475 k = 0.2920-0.2833 0.2734 ( 8549 PWs) bands (ev): -13.8034 -13.8034 -13.3748 -13.3748 -12.6512 -12.6512 -7.5688 -7.5688 -2.3875 -2.3875 -2.2383 -2.2383 -1.0936 -1.0936 -1.0119 -1.0119 -0.4210 -0.4210 -0.2397 -0.2397 2.0603 2.0603 3.5218 3.5218 3.6332 3.6332 6.4479 6.4479 6.4807 6.4807 9.4388 9.4388 9.7340 9.7340 11.5106 11.5106 11.8625 11.8625 k = 0.3020-0.2931 0.2829 ( 8549 PWs) bands (ev): -13.7872 -13.7872 -13.3847 -13.3847 -12.6594 -12.6594 -7.5741 -7.5741 -2.3879 -2.3879 -2.2553 -2.2553 -1.1177 -1.1177 -0.9854 -0.9854 -0.3905 -0.3905 -0.2276 -0.2276 2.0608 2.0608 3.5185 3.5185 3.6406 3.6406 6.4295 6.4295 6.4857 6.4857 9.4440 9.4440 9.7270 9.7270 11.5216 11.5216 11.8660 11.8660 k = 0.3121-0.3028 0.2923 ( 8551 PWs) bands (ev): -13.7713 -13.7713 -13.3943 -13.3943 -12.6674 -12.6674 -7.5797 -7.5797 -2.3907 -2.3907 -2.2701 -2.2701 -1.1409 -1.1409 -0.9593 -0.9593 -0.3598 -0.3598 -0.2147 -0.2147 2.0615 2.0615 3.5129 3.5129 3.6487 3.6487 6.4123 6.4123 6.4905 6.4905 9.4341 9.4341 9.7370 9.7370 11.5229 11.5229 11.8550 11.8550 k = 0.3222-0.3126 0.3017 ( 8559 PWs) bands (ev): -13.7557 -13.7557 -13.4036 -13.4036 -12.6752 -12.6752 -7.5856 -7.5856 -2.3957 -2.3957 -2.2830 -2.2830 -1.1627 -1.1627 -0.9339 -0.9339 -0.3295 -0.3295 -0.2005 -0.2005 2.0625 2.0625 3.5053 3.5053 3.6573 3.6573 6.3966 6.3966 6.4949 6.4949 9.4131 9.4131 9.7602 9.7602 11.5150 11.5150 11.8276 11.8276 k = 0.3322-0.3224 0.3112 ( 8547 PWs) bands (ev): -13.7404 -13.7404 -13.4126 -13.4126 -12.6827 -12.6827 -7.5916 -7.5916 -2.4024 -2.4024 -2.2941 -2.2941 -1.1831 -1.1831 -0.9095 -0.9095 -0.3002 -0.3002 -0.1848 -0.1848 2.0639 2.0639 3.4958 3.4958 3.6661 3.6661 6.3825 6.3825 6.4989 6.4989 9.3861 9.3861 9.7916 9.7916 11.4989 11.4989 11.7842 11.7842 k = 0.3423-0.3321 0.3206 ( 8535 PWs) bands (ev): -13.7256 -13.7256 -13.4213 -13.4213 -12.6899 -12.6899 -7.5978 -7.5978 -2.4103 -2.4103 -2.3040 -2.3040 -1.2021 -1.2021 -0.8863 -0.8863 -0.2729 -0.2729 -0.1668 -0.1668 2.0654 2.0654 3.4847 3.4847 3.6750 3.6750 6.3700 6.3700 6.5025 6.5025 9.3566 9.3566 9.8276 9.8276 11.4759 11.4759 11.7276 11.7276 k = 0.3524-0.3419 0.3300 ( 8536 PWs) bands (ev): -13.7113 -13.7113 -13.4295 -13.4295 -12.6968 -12.6968 -7.6041 -7.6041 -2.4187 -2.4187 -2.3130 -2.3130 -1.2199 -1.2199 -0.8642 -0.8642 -0.2485 -0.2485 -0.1461 -0.1461 2.0672 2.0672 3.4721 3.4721 3.6839 3.6839 6.3592 6.3592 6.5057 6.5057 9.3269 9.3269 9.8659 9.8659 11.4475 11.4475 11.6616 11.6616 k = 0.3624-0.3517 0.3394 ( 8524 PWs) bands (ev): -13.6975 -13.6975 -13.4374 -13.4374 -12.7033 -12.7033 -7.6103 -7.6103 -2.4271 -2.4271 -2.3216 -2.3216 -1.2363 -1.2363 -0.8434 -0.8434 -0.2276 -0.2276 -0.1223 -0.1223 2.0692 2.0692 3.4584 3.4584 3.6926 3.6926 6.3500 6.3500 6.5085 6.5085 9.2982 9.2982 9.9051 9.9051 11.4149 11.4149 11.5903 11.5903 k = 0.3725-0.3614 0.3489 ( 8508 PWs) bands (ev): -13.6844 -13.6844 -13.4449 -13.4449 -12.7095 -12.7095 -7.6165 -7.6165 -2.4349 -2.4349 -2.3300 -2.3300 -1.2514 -1.2514 -0.8239 -0.8239 -0.2100 -0.2100 -0.0960 -0.0960 2.0714 2.0714 3.4438 3.4438 3.7011 3.7011 6.3424 6.3424 6.5109 6.5109 9.2712 9.2712 9.9444 9.9444 11.3794 11.3794 11.5167 11.5167 k = 0.3826-0.3712 0.3583 ( 8516 PWs) bands (ev): -13.6720 -13.6720 -13.4518 -13.4518 -12.7153 -12.7153 -7.6226 -7.6226 -2.4420 -2.4420 -2.3386 -2.3386 -1.2653 -1.2653 -0.8058 -0.8058 -0.1952 -0.1952 -0.0680 -0.0680 2.0736 2.0736 3.4285 3.4285 3.7092 3.7092 6.3363 6.3363 6.5130 6.5130 9.2463 9.2463 9.9832 9.9832 11.3419 11.3419 11.4433 11.4433 k = 0.3927-0.3810 0.3677 ( 8522 PWs) bands (ev): -13.6604 -13.6604 -13.4583 -13.4583 -12.7207 -12.7207 -7.6284 -7.6284 -2.4481 -2.4481 -2.3472 -2.3472 -1.2780 -1.2780 -0.7890 -0.7890 -0.1827 -0.1827 -0.0394 -0.0394 2.0760 2.0760 3.4129 3.4129 3.7168 3.7168 6.3314 6.3314 6.5148 6.5148 9.2237 9.2237 10.0209 10.0209 11.3036 11.3036 11.3721 11.3721 k = 0.4027-0.3907 0.3772 ( 8524 PWs) bands (ev): -13.6495 -13.6495 -13.4643 -13.4643 -12.7257 -12.7257 -7.6341 -7.6341 -2.4530 -2.4530 -2.3561 -2.3561 -1.2896 -1.2896 -0.7737 -0.7737 -0.1719 -0.1719 -0.0110 -0.0110 2.0783 2.0783 3.3973 3.3973 3.7240 3.7240 6.3278 6.3278 6.5164 6.5164 9.2034 9.2034 10.0573 10.0573 11.2651 11.2651 11.3045 11.3045 k = 0.4128-0.4005 0.3866 ( 8518 PWs) bands (ev): -13.6396 -13.6396 -13.4698 -13.4698 -12.7302 -12.7302 -7.6394 -7.6394 -2.4567 -2.4567 -2.3651 -2.3651 -1.2999 -1.2999 -0.7598 -0.7598 -0.1625 -0.1625 0.0164 0.0164 2.0806 2.0806 3.3820 3.3820 3.7306 3.7306 6.3252 6.3252 6.5177 6.5177 9.1855 9.1855 10.0919 10.0919 11.2266 11.2266 11.2420 11.2420 k = 0.4229-0.4103 0.3960 ( 8518 PWs) bands (ev): -13.6306 -13.6306 -13.4747 -13.4747 -12.7343 -12.7343 -7.6443 -7.6443 -2.4591 -2.4591 -2.3743 -2.3743 -1.3091 -1.3091 -0.7474 -0.7474 -0.1544 -0.1544 0.0422 0.0422 2.0829 2.0829 3.3672 3.3672 3.7367 3.7367 6.3234 6.3234 6.5188 6.5188 9.1698 9.1698 10.1244 10.1244 11.1808 11.1808 11.1936 11.1936 k = 0.4329-0.4200 0.4055 ( 8518 PWs) bands (ev): -13.6226 -13.6226 -13.4790 -13.4790 -12.7379 -12.7379 -7.6487 -7.6487 -2.4603 -2.4603 -2.3835 -2.3835 -1.3172 -1.3172 -0.7364 -0.7364 -0.1474 -0.1474 0.0660 0.0660 2.0850 2.0850 3.3534 3.3534 3.7421 3.7421 6.3224 6.3224 6.5197 6.5197 9.1564 9.1564 10.1545 10.1545 11.1296 11.1296 11.1586 11.1586 k = 0.4329-0.4200 0.4055 ( 8518 PWs) bands (ev): -13.6226 -13.6226 -13.4790 -13.4790 -12.7379 -12.7379 -7.6487 -7.6487 -2.4603 -2.4603 -2.3835 -2.3835 -1.3172 -1.3172 -0.7364 -0.7364 -0.1474 -0.1474 0.0660 0.0660 2.0850 2.0850 3.3534 3.3534 3.7421 3.7421 6.3224 6.3224 6.5197 6.5197 9.1564 9.1564 10.1545 10.1545 11.1296 11.1296 11.1586 11.1586 k = 0.4353-0.4045 0.3993 ( 8526 PWs) bands (ev): -13.6281 -13.6281 -13.4762 -13.4762 -12.7352 -12.7352 -7.6458 -7.6458 -2.4595 -2.4595 -2.3771 -2.3771 -1.3120 -1.3120 -0.7435 -0.7435 -0.1529 -0.1529 0.0505 0.0505 2.0837 2.0837 3.3622 3.3622 3.7385 3.7385 6.3233 6.3233 6.5189 6.5189 9.1659 9.1659 10.1358 10.1358 11.1593 11.1593 11.1844 11.1844 k = 0.4377-0.3890 0.3932 ( 8519 PWs) bands (ev): -13.6345 -13.6345 -13.4733 -13.4733 -12.7315 -12.7315 -7.6425 -7.6425 -2.4578 -2.4578 -2.3701 -2.3701 -1.3060 -1.3060 -0.7513 -0.7513 -0.1611 -0.1611 0.0333 0.0333 2.0824 2.0824 3.3712 3.3712 3.7345 3.7345 6.3253 6.3253 6.5177 6.5177 9.1785 9.1785 10.1172 10.1172 11.1857 11.1857 11.2176 11.2176 k = 0.4401-0.3734 0.3871 ( 8520 PWs) bands (ev): -13.6418 -13.6418 -13.4704 -13.4704 -12.7269 -12.7269 -7.6389 -7.6389 -2.4551 -2.4551 -2.3625 -2.3625 -1.2992 -1.2992 -0.7598 -0.7598 -0.1717 -0.1717 0.0144 0.0144 2.0812 2.0812 3.3804 3.3804 3.7300 3.7300 6.3283 6.3283 6.5160 6.5160 9.1941 9.1941 10.0994 10.0994 11.2109 11.2109 11.2553 11.2553 k = 0.4425-0.3579 0.3810 ( 8524 PWs) bands (ev): -13.6496 -13.6496 -13.4677 -13.4677 -12.7213 -12.7213 -7.6349 -7.6349 -2.4515 -2.4515 -2.3543 -2.3543 -1.2916 -1.2916 -0.7690 -0.7690 -0.1846 -0.1846 -0.0061 -0.0061 2.0800 2.0800 3.3896 3.3896 3.7252 3.7252 6.3322 6.3322 6.5138 6.5138 9.2128 9.2128 10.0826 10.0826 11.2353 11.2353 11.2963 11.2963 k = 0.4449-0.3423 0.3749 ( 8523 PWs) bands (ev): -13.6579 -13.6579 -13.4653 -13.4653 -12.7150 -12.7150 -7.6307 -7.6307 -2.4470 -2.4470 -2.3455 -2.3455 -1.2832 -1.2832 -0.7788 -0.7788 -0.1996 -0.1996 -0.0282 -0.0282 2.0790 2.0790 3.3986 3.3986 3.7200 3.7200 6.3371 6.3371 6.5113 6.5113 9.2345 9.2345 10.0671 10.0671 11.2582 11.2582 11.3403 11.3403 k = 0.4473-0.3268 0.3687 ( 8522 PWs) bands (ev): -13.6664 -13.6664 -13.4632 -13.4632 -12.7079 -12.7079 -7.6263 -7.6263 -2.4416 -2.4416 -2.3362 -2.3362 -1.2741 -1.2741 -0.7890 -0.7890 -0.2167 -0.2167 -0.0518 -0.0518 2.0781 2.0781 3.4073 3.4073 3.7145 3.7145 6.3430 6.3430 6.5084 6.5084 9.2591 9.2591 10.0531 10.0531 11.2792 11.2792 11.3870 11.3870 k = 0.4497-0.3113 0.3626 ( 8521 PWs) bands (ev): -13.6752 -13.6752 -13.4614 -13.4614 -12.7002 -12.7002 -7.6216 -7.6216 -2.4353 -2.4353 -2.3265 -2.3265 -1.2641 -1.2641 -0.7997 -0.7997 -0.2357 -0.2357 -0.0767 -0.0767 2.0773 2.0773 3.4157 3.4157 3.7089 3.7089 6.3497 6.3497 6.5053 6.5053 9.2866 9.2866 10.0406 10.0406 11.2977 11.2977 11.4363 11.4363 k = 0.4521-0.2957 0.3565 ( 8527 PWs) bands (ev): -13.6840 -13.6840 -13.4599 -13.4599 -12.6920 -12.6920 -7.6168 -7.6168 -2.4283 -2.4283 -2.3164 -2.3164 -1.2533 -1.2533 -0.8106 -0.8106 -0.2564 -0.2564 -0.1030 -0.1030 2.0767 2.0767 3.4237 3.4237 3.7031 3.7031 6.3573 6.3573 6.5018 6.5018 9.3169 9.3169 10.0297 10.0297 11.3136 11.3136 11.4879 11.4879 k = 0.4545-0.2802 0.3504 ( 8527 PWs) bands (ev): -13.6929 -13.6929 -13.4588 -13.4588 -12.6833 -12.6833 -7.6119 -7.6119 -2.4206 -2.4206 -2.3059 -2.3059 -1.2418 -1.2418 -0.8217 -0.8217 -0.2787 -0.2787 -0.1303 -0.1303 2.0761 2.0761 3.4311 3.4311 3.6973 3.6973 6.3657 6.3657 6.4982 6.4982 9.3498 9.3498 10.0202 10.0202 11.3264 11.3264 11.5413 11.5413 k = 0.4569-0.2646 0.3443 ( 8516 PWs) bands (ev): -13.7017 -13.7017 -13.4580 -13.4580 -12.6744 -12.6744 -7.6069 -7.6069 -2.4122 -2.4122 -2.2951 -2.2951 -1.2294 -1.2294 -0.8329 -0.8329 -0.3025 -0.3025 -0.1585 -0.1585 2.0756 2.0756 3.4380 3.4380 3.6914 3.6914 6.3748 6.3748 6.4944 6.4944 9.3850 9.3850 10.0124 10.0124 11.3360 11.3360 11.5963 11.5963 k = 0.4593-0.2491 0.3381 ( 8516 PWs) bands (ev): -13.7103 -13.7103 -13.4575 -13.4575 -12.6652 -12.6652 -7.6018 -7.6018 -2.4033 -2.4033 -2.2841 -2.2841 -1.2162 -1.2162 -0.8439 -0.8439 -0.3276 -0.3276 -0.1875 -0.1875 2.0753 2.0753 3.4443 3.4443 3.6856 3.6856 6.3844 6.3844 6.4905 6.4905 9.4222 9.4222 10.0061 10.0061 11.3419 11.3419 11.6524 11.6524 k = 0.4617-0.2335 0.3320 ( 8515 PWs) bands (ev): -13.7187 -13.7187 -13.4572 -13.4572 -12.6560 -12.6560 -7.5968 -7.5968 -2.3938 -2.3938 -2.2731 -2.2731 -1.2023 -1.2023 -0.8547 -0.8547 -0.3540 -0.3540 -0.2169 -0.2169 2.0749 2.0749 3.4499 3.4499 3.6799 3.6799 6.3946 6.3946 6.4866 6.4866 9.4611 9.4611 10.0016 10.0016 11.3442 11.3442 11.7093 11.7093 k = 0.4641-0.2180 0.3259 ( 8517 PWs) bands (ev): -13.7269 -13.7269 -13.4572 -13.4572 -12.6467 -12.6467 -7.5918 -7.5918 -2.3839 -2.3839 -2.2621 -2.2621 -1.1875 -1.1875 -0.8650 -0.8650 -0.3815 -0.3815 -0.2467 -0.2467 2.0747 2.0747 3.4549 3.4549 3.6743 3.6743 6.4052 6.4052 6.4827 6.4827 9.5008 9.5008 9.9993 9.9993 11.3423 11.3423 11.7665 11.7665 k = 0.4665-0.2025 0.3198 ( 8518 PWs) bands (ev): -13.7348 -13.7348 -13.4574 -13.4574 -12.6376 -12.6376 -7.5869 -7.5869 -2.3735 -2.3735 -2.2513 -2.2513 -1.1721 -1.1721 -0.8747 -0.8747 -0.4099 -0.4099 -0.2765 -0.2765 2.0744 2.0744 3.4593 3.4593 3.6690 3.6690 6.4159 6.4159 6.4789 6.4789 9.5405 9.5405 9.9999 9.9999 11.3360 11.3360 11.8234 11.8234 k = 0.4689-0.1869 0.3137 ( 8519 PWs) bands (ev): -13.7423 -13.7423 -13.4577 -13.4577 -12.6286 -12.6286 -7.5821 -7.5821 -2.3629 -2.3629 -2.2409 -2.2409 -1.1559 -1.1559 -0.8835 -0.8835 -0.4392 -0.4392 -0.3061 -0.3061 2.0742 2.0742 3.4630 3.4630 3.6639 3.6639 6.4266 6.4266 6.4754 6.4754 9.5789 9.5789 10.0043 10.0043 11.3250 11.3250 11.8794 11.8794 k = 0.4713-0.1714 0.3076 ( 8519 PWs) bands (ev): -13.7495 -13.7495 -13.4581 -13.4581 -12.6200 -12.6200 -7.5775 -7.5775 -2.3520 -2.3520 -2.2310 -2.2310 -1.1391 -1.1391 -0.8914 -0.8914 -0.4692 -0.4692 -0.3354 -0.3354 2.0740 2.0740 3.4662 3.4662 3.6591 3.6591 6.4369 6.4369 6.4724 6.4724 9.6146 9.6146 10.0141 10.0141 11.3088 11.3088 11.9338 11.9338 k = 0.4736-0.1558 0.3014 ( 8517 PWs) bands (ev): -13.7562 -13.7562 -13.4586 -13.4586 -12.6117 -12.6117 -7.5731 -7.5731 -2.3409 -2.3409 -2.2218 -2.2218 -1.1217 -1.1217 -0.8981 -0.8981 -0.4996 -0.4996 -0.3642 -0.3642 2.0737 2.0737 3.4688 3.4688 3.6546 3.6546 6.4459 6.4459 6.4707 6.4707 9.6456 9.6456 10.0308 10.0308 11.2870 11.2870 11.9857 11.9857 k = 0.4760-0.1403 0.2953 ( 8515 PWs) bands (ev): -13.7624 -13.7624 -13.4591 -13.4591 -12.6039 -12.6039 -7.5689 -7.5689 -2.3297 -2.3297 -2.2134 -2.2134 -1.1038 -1.1038 -0.9036 -0.9036 -0.5302 -0.5302 -0.3922 -0.3922 2.0735 2.0735 3.4709 3.4709 3.6505 3.6505 6.4517 6.4517 6.4720 6.4720 9.6705 9.6705 10.0559 10.0559 11.2593 11.2593 12.0340 12.0340 k = 0.4784-0.1248 0.2892 ( 8516 PWs) bands (ev): -13.7682 -13.7682 -13.4597 -13.4597 -12.5966 -12.5966 -7.5651 -7.5651 -2.3185 -2.3185 -2.2060 -2.2060 -1.0855 -1.0855 -0.9076 -0.9076 -0.5609 -0.5609 -0.4191 -0.4191 2.0733 2.0733 3.4726 3.4726 3.6467 3.6467 6.4530 6.4530 6.4778 6.4778 9.6886 9.6886 10.0900 10.0900 11.2256 11.2256 12.0779 12.0779 k = 0.4808-0.1092 0.2831 ( 8519 PWs) bands (ev): -13.7734 -13.7734 -13.4603 -13.4603 -12.5899 -12.5899 -7.5615 -7.5615 -2.3075 -2.3075 -2.1997 -2.1997 -1.0669 -1.0669 -0.9101 -0.9101 -0.5913 -0.5913 -0.4449 -0.4449 2.0730 2.0730 3.4739 3.4739 3.6433 3.6433 6.4517 6.4517 6.4857 6.4857 9.7003 9.7003 10.1328 10.1328 11.1858 11.1858 12.1171 12.1171 k = 0.4832-0.0937 0.2770 ( 8519 PWs) bands (ev): -13.7780 -13.7780 -13.4609 -13.4609 -12.5838 -12.5838 -7.5583 -7.5583 -2.2968 -2.2968 -2.1945 -2.1945 -1.0482 -1.0482 -0.9112 -0.9112 -0.6211 -0.6211 -0.4691 -0.4691 2.0728 2.0728 3.4749 3.4749 3.6403 3.6403 6.4498 6.4498 6.4939 6.4939 9.7066 9.7066 10.1829 10.1829 11.1404 11.1404 12.1515 12.1515 k = 0.4856-0.0781 0.2708 ( 8529 PWs) bands (ev): -13.7821 -13.7821 -13.4614 -13.4614 -12.5785 -12.5785 -7.5554 -7.5554 -2.2865 -2.2865 -2.1906 -2.1906 -1.0297 -1.0297 -0.9108 -0.9108 -0.6501 -0.6501 -0.4914 -0.4914 2.0726 2.0726 3.4756 3.4756 3.6377 3.6377 6.4477 6.4477 6.5016 6.5016 9.7091 9.7091 10.2386 10.2386 11.0900 11.0900 12.1820 12.1820 k = 0.4880-0.0626 0.2647 ( 8527 PWs) bands (ev): -13.7856 -13.7856 -13.4619 -13.4619 -12.5739 -12.5739 -7.5530 -7.5530 -2.2769 -2.2769 -2.1879 -2.1879 -1.0116 -1.0116 -0.9090 -0.9090 -0.6777 -0.6777 -0.5115 -0.5115 2.0724 2.0724 3.4761 3.4761 3.6355 3.6355 6.4458 6.4458 6.5085 6.5085 9.7092 9.7092 10.2983 10.2983 11.0354 11.0354 12.2090 12.2090 k = 0.4904-0.0471 0.2586 ( 8528 PWs) bands (ev): -13.7885 -13.7885 -13.4623 -13.4623 -12.5700 -12.5700 -7.5510 -7.5510 -2.2683 -2.2683 -2.1862 -2.1862 -0.9947 -0.9947 -0.9061 -0.9061 -0.7034 -0.7034 -0.5290 -0.5290 2.0723 2.0723 3.4764 3.4764 3.6337 3.6337 6.4442 6.4442 6.5144 6.5144 9.7079 9.7079 10.3601 10.3601 10.9781 10.9781 12.2329 12.2329 k = 0.4928-0.0315 0.2525 ( 8533 PWs) bands (ev): -13.7907 -13.7907 -13.4626 -13.4626 -12.5670 -12.5670 -7.5494 -7.5494 -2.2609 -2.2609 -2.1854 -2.1854 -0.9796 -0.9796 -0.9023 -0.9023 -0.7264 -0.7264 -0.5433 -0.5433 2.0721 2.0721 3.4766 3.4766 3.6323 3.6323 6.4428 6.4428 6.5191 6.5191 9.7061 9.7061 10.4217 10.4217 10.9201 10.9201 12.2534 12.2534 k = 0.4952-0.0160 0.2464 ( 8531 PWs) bands (ev): -13.7923 -13.7923 -13.4629 -13.4629 -12.5649 -12.5649 -7.5482 -7.5482 -2.2552 -2.2552 -2.1852 -2.1852 -0.9676 -0.9676 -0.8980 -0.8980 -0.7452 -0.7452 -0.5539 -0.5539 2.0720 2.0720 3.4767 3.4767 3.6313 3.6313 6.4419 6.4419 6.5226 6.5226 9.7044 9.7044 10.4794 10.4794 10.8649 10.8649 12.2695 12.2695 k = 0.4976-0.0004 0.2403 ( 8534 PWs) bands (ev): -13.7933 -13.7933 -13.4630 -13.4630 -12.5636 -12.5636 -7.5475 -7.5475 -2.2516 -2.2516 -2.1853 -2.1853 -0.9598 -0.9598 -0.8944 -0.8944 -0.7580 -0.7580 -0.5605 -0.5605 2.0720 2.0720 3.4768 3.4768 3.6307 3.6307 6.4413 6.4413 6.5247 6.5247 9.7033 9.7033 10.5253 10.5253 10.8205 10.8205 12.2800 12.2800 k = 0.5000 0.0151 0.2341 ( 8534 PWs) bands (ev): -13.7936 -13.7936 -13.4631 -13.4631 -12.5631 -12.5631 -7.5473 -7.5473 -2.2503 -2.2503 -2.1854 -2.1854 -0.9571 -0.9571 -0.8929 -0.8929 -0.7626 -0.7626 -0.5628 -0.5628 2.0719 2.0719 3.4768 3.4768 3.6305 3.6305 6.4411 6.4411 6.5254 6.5254 9.7029 9.7029 10.5444 10.5444 10.8020 10.8020 12.2837 12.2837 k = 0.5000 0.0151 0.2341 ( 8534 PWs) bands (ev): -13.7936 -13.7936 -13.4631 -13.4631 -12.5631 -12.5631 -7.5473 -7.5473 -2.2503 -2.2503 -2.1854 -2.1854 -0.9571 -0.9571 -0.8929 -0.8929 -0.7626 -0.7626 -0.5628 -0.5628 2.0719 2.0719 3.4768 3.4768 3.6305 3.6305 6.4411 6.4411 6.5254 6.5254 9.7029 9.7029 10.5444 10.5444 10.8020 10.8020 12.2837 12.2837 k = 0.4932 0.0217 0.2481 ( 8538 PWs) bands (ev): -13.7932 -13.7932 -13.4629 -13.4629 -12.5636 -12.5636 -7.5472 -7.5472 -2.2508 -2.2508 -2.1862 -2.1862 -0.9612 -0.9612 -0.8898 -0.8898 -0.7642 -0.7642 -0.5608 -0.5608 2.0720 2.0720 3.4778 3.4778 3.6308 3.6308 6.4408 6.4408 6.5248 6.5248 9.7032 9.7032 10.5446 10.5446 10.8056 10.8056 12.2722 12.2722 k = 0.4865 0.0282 0.2621 ( 8538 PWs) bands (ev): -13.7917 -13.7917 -13.4626 -13.4626 -12.5651 -12.5651 -7.5470 -7.5470 -2.2524 -2.2524 -2.1884 -2.1884 -0.9716 -0.9716 -0.8830 -0.8830 -0.7682 -0.7682 -0.5553 -0.5553 2.0721 2.0721 3.4808 3.4808 3.6317 3.6317 6.4399 6.4399 6.5230 6.5230 9.7042 9.7042 10.5452 10.5452 10.8165 10.8165 12.2399 12.2399 k = 0.4797 0.0348 0.2762 ( 8534 PWs) bands (ev): -13.7893 -13.7893 -13.4620 -13.4620 -12.5676 -12.5676 -7.5467 -7.5467 -2.2550 -2.2550 -2.1922 -2.1922 -0.9850 -0.9850 -0.8770 -0.8770 -0.7724 -0.7724 -0.5470 -0.5470 2.0722 2.0722 3.4856 3.4856 3.6332 3.6332 6.4385 6.4385 6.5200 6.5200 9.7060 9.7060 10.5462 10.5462 10.8345 10.8345 12.1912 12.1912 k = 0.4730 0.0413 0.2902 ( 8530 PWs) bands (ev): -13.7860 -13.7860 -13.4612 -13.4612 -12.5711 -12.5711 -7.5463 -7.5463 -2.2586 -2.2586 -2.1973 -2.1973 -0.9997 -0.9997 -0.8756 -0.8756 -0.7737 -0.7737 -0.5368 -0.5368 2.0725 2.0725 3.4923 3.4923 3.6354 3.6354 6.4365 6.4365 6.5159 6.5159 9.7085 9.7085 10.5476 10.5476 10.8594 10.8594 12.1314 12.1314 k = 0.4662 0.0479 0.3042 ( 8528 PWs) bands (ev): -13.7817 -13.7817 -13.4602 -13.4602 -12.5756 -12.5756 -7.5457 -7.5457 -2.2635 -2.2635 -2.2037 -2.2037 -1.0149 -1.0149 -0.8811 -0.8811 -0.7699 -0.7699 -0.5256 -0.5256 2.0727 2.0727 3.5007 3.5007 3.6382 3.6382 6.4341 6.4341 6.5106 6.5106 9.7118 9.7118 10.5494 10.5494 10.8908 10.8908 12.0650 12.0650 k = 0.4595 0.0544 0.3182 ( 8538 PWs) bands (ev): -13.7764 -13.7764 -13.4590 -13.4590 -12.5810 -12.5810 -7.5451 -7.5451 -2.2696 -2.2696 -2.2112 -2.2112 -1.0302 -1.0302 -0.8933 -0.8933 -0.7610 -0.7610 -0.5139 -0.5139 2.0731 2.0731 3.5106 3.5106 3.6417 3.6417 6.4311 6.4311 6.5042 6.5042 9.7160 9.7160 10.5514 10.5514 10.9282 10.9282 11.9953 11.9953 k = 0.4527 0.0610 0.3322 ( 8526 PWs) bands (ev): -13.7703 -13.7703 -13.4576 -13.4576 -12.5874 -12.5874 -7.5443 -7.5443 -2.2770 -2.2770 -2.2197 -2.2197 -1.0452 -1.0452 -0.9100 -0.9100 -0.7487 -0.7487 -0.5022 -0.5022 2.0736 2.0736 3.5218 3.5218 3.6460 3.6460 6.4278 6.4278 6.4967 6.4967 9.7211 9.7211 10.5536 10.5536 10.9709 10.9709 11.9250 11.9250 k = 0.4459 0.0676 0.3462 ( 8522 PWs) bands (ev): -13.7632 -13.7632 -13.4559 -13.4559 -12.5948 -12.5948 -7.5434 -7.5434 -2.2860 -2.2860 -2.2287 -2.2287 -1.0599 -1.0599 -0.9297 -0.9297 -0.7344 -0.7344 -0.4909 -0.4909 2.0741 2.0741 3.5342 3.5342 3.6510 3.6510 6.4241 6.4241 6.4883 6.4883 9.7272 9.7272 10.5560 10.5560 11.0179 11.0179 11.8565 11.8565 k = 0.4392 0.0741 0.3602 ( 8520 PWs) bands (ev): -13.7552 -13.7552 -13.4541 -13.4541 -12.6030 -12.6030 -7.5425 -7.5425 -2.2965 -2.2965 -2.2382 -2.2382 -1.0742 -1.0742 -0.9509 -0.9509 -0.7192 -0.7192 -0.4801 -0.4801 2.0747 2.0747 3.5475 3.5475 3.6567 3.6567 6.4200 6.4200 6.4788 6.4788 9.7344 9.7344 10.5584 10.5584 11.0675 11.0675 11.7922 11.7922 k = 0.4324 0.0807 0.3742 ( 8512 PWs) bands (ev): -13.7464 -13.7464 -13.4522 -13.4522 -12.6122 -12.6122 -7.5414 -7.5414 -2.3088 -2.3088 -2.2479 -2.2479 -1.0881 -1.0881 -0.9730 -0.9730 -0.7035 -0.7035 -0.4699 -0.4699 2.0754 2.0754 3.5616 3.5616 3.6633 3.6633 6.4157 6.4157 6.4685 6.4685 9.7428 9.7428 10.5608 10.5608 11.1169 11.1169 11.7349 11.7349 k = 0.4257 0.0872 0.3882 ( 8510 PWs) bands (ev): -13.7366 -13.7366 -13.4500 -13.4500 -12.6223 -12.6223 -7.5403 -7.5403 -2.3228 -2.3228 -2.2576 -2.2576 -1.1016 -1.1016 -0.9953 -0.9953 -0.6878 -0.6878 -0.4605 -0.4605 2.0761 2.0761 3.5761 3.5761 3.6706 3.6706 6.4111 6.4111 6.4574 6.4574 9.7523 9.7523 10.5630 10.5630 11.1620 11.1620 11.6892 11.6892 k = 0.4189 0.0938 0.4022 ( 8512 PWs) bands (ev): -13.7261 -13.7261 -13.4478 -13.4478 -12.6332 -12.6332 -7.5391 -7.5391 -2.3384 -2.3384 -2.2672 -2.2672 -1.1148 -1.1148 -1.0176 -1.0176 -0.6723 -0.6723 -0.4519 -0.4519 2.0769 2.0769 3.5908 3.5908 3.6789 3.6789 6.4063 6.4063 6.4457 6.4457 9.7631 9.7631 10.5649 10.5649 11.1959 11.1959 11.6615 11.6615 k = 0.4122 0.1003 0.4162 ( 8520 PWs) bands (ev): -13.7148 -13.7148 -13.4454 -13.4454 -12.6449 -12.6449 -7.5378 -7.5378 -2.3556 -2.3556 -2.2766 -2.2766 -1.1277 -1.1277 -1.0392 -1.0392 -0.6571 -0.6571 -0.4442 -0.4442 2.0778 2.0778 3.6055 3.6055 3.6880 3.6880 6.4010 6.4010 6.4337 6.4337 9.7750 9.7750 10.5664 10.5664 11.2111 11.2111 11.6586 11.6586 k = 0.4054 0.1069 0.4302 ( 8516 PWs) bands (ev): -13.7026 -13.7026 -13.4429 -13.4429 -12.6575 -12.6575 -7.5364 -7.5364 -2.3740 -2.3740 -2.2859 -2.2859 -1.1407 -1.1407 -1.0599 -1.0599 -0.6423 -0.6423 -0.4372 -0.4372 2.0788 2.0788 3.6199 3.6199 3.6981 3.6981 6.3950 6.3950 6.4218 6.4218 9.7882 9.7882 10.5674 10.5674 11.2044 11.2044 11.6787 11.6787 k = 0.3986 0.1134 0.4442 ( 8518 PWs) bands (ev): -13.6898 -13.6898 -13.4403 -13.4403 -12.6708 -12.6708 -7.5350 -7.5350 -2.3936 -2.3936 -2.2950 -2.2950 -1.1538 -1.1538 -1.0794 -1.0794 -0.6279 -0.6279 -0.4311 -0.4311 2.0798 2.0798 3.6337 3.6337 3.7092 3.7092 6.3875 6.3875 6.4109 6.4109 9.8026 9.8026 10.5676 10.5676 11.1798 11.1798 11.6379 11.6379 k = 0.3919 0.1200 0.4582 ( 8524 PWs) bands (ev): -13.6762 -13.6762 -13.4376 -13.4376 -12.6849 -12.6849 -7.5336 -7.5336 -2.4141 -2.4141 -2.3040 -2.3040 -1.1675 -1.1675 -1.0971 -1.0971 -0.6140 -0.6140 -0.4257 -0.4257 2.0809 2.0809 3.6466 3.6466 3.7212 3.7212 6.3777 6.3777 6.4021 6.4021 9.8182 9.8182 10.5670 10.5670 11.1443 11.1443 11.5666 11.5666 k = 0.3851 0.1266 0.4722 ( 8524 PWs) bands (ev): -13.6619 -13.6619 -13.4349 -13.4349 -12.6996 -12.6996 -7.5321 -7.5321 -2.4353 -2.4353 -2.3127 -2.3127 -1.1819 -1.1819 -1.1127 -1.1127 -0.6007 -0.6007 -0.4211 -0.4211 2.0821 2.0821 3.6586 3.6586 3.7343 3.7343 6.3654 6.3654 6.3955 6.3955 9.8348 9.8348 10.5654 10.5654 11.1034 11.1034 11.4967 11.4967 k = 0.3784 0.1331 0.4862 ( 8518 PWs) bands (ev): -13.6471 -13.6471 -13.4322 -13.4322 -12.7150 -12.7150 -7.5307 -7.5307 -2.4570 -2.4570 -2.3212 -2.3212 -1.1972 -1.1972 -1.1262 -1.1262 -0.5879 -0.5879 -0.4171 -0.4171 2.0833 2.0833 3.6694 3.6694 3.7483 3.7483 6.3516 6.3516 6.3905 6.3905 9.8523 9.8523 10.5627 10.5627 11.0606 11.0606 11.4297 11.4297 k = 0.3716 0.1397 0.5003 ( 8530 PWs) bands (ev): -13.6316 -13.6316 -13.4294 -13.4294 -12.7309 -12.7309 -7.5292 -7.5292 -2.4789 -2.4789 -2.3294 -2.3294 -1.2133 -1.2133 -1.1376 -1.1376 -0.5757 -0.5757 -0.4138 -0.4138 2.0845 2.0845 3.6791 3.6791 3.7631 3.7631 6.3370 6.3370 6.3864 6.3864 9.8706 9.8706 10.5587 10.5587 11.0176 11.0176 11.3661 11.3661 k = 0.3649 0.1462 0.5143 ( 8526 PWs) bands (ev): -13.6156 -13.6156 -13.4266 -13.4266 -12.7474 -12.7474 -7.5277 -7.5277 -2.5010 -2.5010 -2.3373 -2.3373 -1.2299 -1.2299 -1.1472 -1.1472 -0.5641 -0.5641 -0.4110 -0.4110 2.0858 2.0858 3.6876 3.6876 3.7784 3.7784 6.3221 6.3221 6.3829 6.3829 9.8895 9.8895 10.5534 10.5534 10.9758 10.9758 11.3064 11.3064 k = 0.3581 0.1528 0.5283 ( 8518 PWs) bands (ev): -13.5992 -13.5992 -13.4239 -13.4239 -12.7643 -12.7643 -7.5262 -7.5262 -2.5229 -2.5229 -2.3449 -2.3449 -1.2466 -1.2466 -1.1552 -1.1552 -0.5530 -0.5530 -0.4088 -0.4088 2.0870 2.0870 3.6951 3.6951 3.7942 3.7942 6.3070 6.3070 6.3800 6.3800 9.9088 9.9088 10.5467 10.5467 10.9357 10.9357 11.2507 11.2507 k = 0.3514 0.1593 0.5423 ( 8518 PWs) bands (ev): -13.5824 -13.5824 -13.4212 -13.4212 -12.7816 -12.7816 -7.5248 -7.5248 -2.5446 -2.5446 -2.3520 -2.3520 -1.2633 -1.2633 -1.1619 -1.1619 -0.5425 -0.5425 -0.4071 -0.4071 2.0883 2.0883 3.7014 3.7014 3.8101 3.8101 6.2921 6.2921 6.3774 6.3774 9.9282 9.9282 10.5386 10.5386 10.8976 10.8976 11.1992 11.1992 k = 0.3446 0.1659 0.5563 ( 8514 PWs) bands (ev): -13.5652 -13.5652 -13.4186 -13.4186 -12.7993 -12.7993 -7.5234 -7.5234 -2.5658 -2.5658 -2.3588 -2.3588 -1.2796 -1.2796 -1.1675 -1.1675 -0.5327 -0.5327 -0.4058 -0.4058 2.0896 2.0896 3.7069 3.7069 3.8261 3.8261 6.2774 6.2774 6.3752 6.3752 9.9477 9.9477 10.5293 10.5293 10.8620 10.8620 11.1522 11.1522 k = 0.3378 0.1724 0.5703 ( 8524 PWs) bands (ev): -13.5479 -13.5479 -13.4161 -13.4161 -12.8171 -12.8171 -7.5220 -7.5220 -2.5863 -2.5863 -2.3650 -2.3650 -1.2955 -1.2955 -1.1723 -1.1723 -0.5233 -0.5233 -0.4048 -0.4048 2.0908 2.0908 3.7114 3.7114 3.8418 3.8418 6.2631 6.2631 6.3734 6.3734 9.9667 9.9667 10.5189 10.5189 10.8288 10.8288 11.1095 11.1095 k = 0.3311 0.1790 0.5843 ( 8518 PWs) bands (ev): -13.5304 -13.5304 -13.4136 -13.4136 -12.8350 -12.8350 -7.5207 -7.5207 -2.6061 -2.6061 -2.3708 -2.3708 -1.3107 -1.3107 -1.1763 -1.1763 -0.5146 -0.5146 -0.4042 -0.4042 2.0920 2.0920 3.7151 3.7151 3.8572 3.8572 6.2494 6.2494 6.3718 6.3718 9.9851 9.9851 10.5078 10.5078 10.7982 10.7982 11.0711 11.0711 k = 0.3243 0.1856 0.5983 ( 8520 PWs) bands (ev): -13.5129 -13.5129 -13.4113 -13.4113 -12.8530 -12.8530 -7.5195 -7.5195 -2.6249 -2.6249 -2.3761 -2.3761 -1.3251 -1.3251 -1.1797 -1.1797 -0.5065 -0.5065 -0.4039 -0.4039 2.0932 2.0932 3.7181 3.7181 3.8720 3.8720 6.2363 6.2363 6.3705 6.3705 10.0026 10.0026 10.4963 10.4963 10.7701 10.7701 11.0370 11.0370 k = 0.3176 0.1921 0.6123 ( 8522 PWs) bands (ev): -13.4956 -13.4956 -13.4091 -13.4091 -12.8707 -12.8707 -7.5183 -7.5183 -2.6425 -2.6425 -2.3809 -2.3809 -1.3387 -1.3387 -1.1825 -1.1825 -0.4989 -0.4989 -0.4038 -0.4038 2.0943 2.0943 3.7204 3.7204 3.8861 3.8861 6.2240 6.2240 6.3695 6.3695 10.0188 10.0188 10.4848 10.4848 10.7447 10.7447 11.0067 11.0067 k = 0.3108 0.1987 0.6263 ( 8520 PWs) bands (ev): -13.4785 -13.4785 -13.4071 -13.4071 -12.8881 -12.8881 -7.5173 -7.5173 -2.6589 -2.6589 -2.3852 -2.3852 -1.3513 -1.3513 -1.1849 -1.1849 -0.4920 -0.4920 -0.4039 -0.4039 2.0953 2.0953 3.7221 3.7221 3.8994 3.8994 6.2125 6.2125 6.3687 6.3687 10.0335 10.0335 10.4739 10.4739 10.7218 10.7218 10.9802 10.9802 k = 0.3041 0.2052 0.6403 ( 8520 PWs) bands (ev): -13.4620 -13.4620 -13.4053 -13.4053 -12.9050 -12.9050 -7.5163 -7.5163 -2.6739 -2.6739 -2.3890 -2.3890 -1.3628 -1.3628 -1.1868 -1.1868 -0.4856 -0.4856 -0.4041 -0.4041 2.0963 2.0963 3.7234 3.7234 3.9117 3.9117 6.2020 6.2020 6.3681 6.3681 10.0464 10.0464 10.4639 10.4639 10.7015 10.7015 10.9570 10.9570 k = 0.2973 0.2118 0.6543 ( 8522 PWs) bands (ev): -13.4462 -13.4462 -13.4036 -13.4036 -12.9212 -12.9212 -7.5154 -7.5154 -2.6875 -2.6875 -2.3923 -2.3923 -1.3732 -1.3732 -1.1884 -1.1884 -0.4799 -0.4799 -0.4046 -0.4046 2.0971 2.0971 3.7243 3.7243 3.9229 3.9229 6.1925 6.1925 6.3676 6.3676 10.0574 10.0574 10.4552 10.4552 10.6837 10.6837 10.9371 10.9371 k = 0.2905 0.2183 0.6683 ( 8522 PWs) bands (ev): -13.4314 -13.4314 -13.4021 -13.4021 -12.9362 -12.9362 -7.5146 -7.5146 -2.6994 -2.6994 -2.3951 -2.3951 -1.3824 -1.3824 -1.1897 -1.1897 -0.4749 -0.4749 -0.4050 -0.4050 2.0979 2.0979 3.7249 3.7249 3.9328 3.9328 6.1842 6.1842 6.3673 6.3673 10.0664 10.0664 10.4481 10.4481 10.6684 10.6684 10.9200 10.9200 k = 0.2838 0.2249 0.6823 ( 8532 PWs) bands (ev): -13.4180 -13.4180 -13.4009 -13.4009 -12.9499 -12.9499 -7.5139 -7.5139 -2.7097 -2.7097 -2.3975 -2.3975 -1.3903 -1.3903 -1.1908 -1.1908 -0.4705 -0.4705 -0.4056 -0.4056 2.0986 2.0986 3.7253 3.7253 3.9414 3.9414 6.1770 6.1770 6.3670 6.3670 10.0735 10.0735 10.4426 10.4426 10.6555 10.6555 10.9057 10.9057 k = 0.2770 0.2314 0.6963 ( 8536 PWs) bands (ev): -13.4062 -13.4062 -13.3998 -13.3998 -12.9619 -12.9619 -7.5134 -7.5134 -2.7181 -2.7181 -2.3994 -2.3994 -1.3969 -1.3969 -1.1915 -1.1915 -0.4668 -0.4668 -0.4061 -0.4061 2.0991 2.0991 3.7255 3.7255 3.9485 3.9485 6.1710 6.1710 6.3669 6.3669 10.0788 10.0788 10.4386 10.4386 10.6450 10.6450 10.8941 10.8941 k = 0.2703 0.2380 0.7103 ( 8530 PWs) bands (ev): -13.3990 -13.3990 -13.3965 -13.3965 -12.9718 -12.9718 -7.5129 -7.5129 -2.7248 -2.7248 -2.4009 -2.4009 -1.4020 -1.4020 -1.1921 -1.1921 -0.4639 -0.4639 -0.4066 -0.4066 2.0996 2.0996 3.7256 3.7256 3.9542 3.9542 6.1664 6.1664 6.3668 6.3668 10.0825 10.0825 10.4360 10.4360 10.6369 10.6369 10.8850 10.8850 k = 0.2635 0.2446 0.7244 ( 8530 PWs) bands (ev): -13.3984 -13.3984 -13.3892 -13.3892 -12.9792 -12.9792 -7.5126 -7.5126 -2.7296 -2.7296 -2.4019 -2.4019 -1.4057 -1.4057 -1.1925 -1.1925 -0.4617 -0.4617 -0.4070 -0.4070 2.0999 2.0999 3.7256 3.7256 3.9583 3.9583 6.1630 6.1630 6.3667 6.3667 10.0850 10.0850 10.4343 10.4343 10.6311 10.6311 10.8786 10.8786 k = 0.2568 0.2511 0.7384 ( 8530 PWs) bands (ev): -13.3980 -13.3980 -13.3847 -13.3847 -12.9838 -12.9838 -7.5124 -7.5124 -2.7325 -2.7325 -2.4025 -2.4025 -1.4080 -1.4080 -1.1928 -1.1928 -0.4604 -0.4604 -0.4073 -0.4073 2.1001 2.1001 3.7256 3.7256 3.9607 3.9607 6.1610 6.1610 6.3667 6.3667 10.0863 10.0863 10.4334 10.4334 10.6276 10.6276 10.8747 10.8747 k = 0.2500 0.2577 0.7524 ( 8540 PWs) bands (ev): -13.3979 -13.3979 -13.3831 -13.3831 -12.9854 -12.9854 -7.5123 -7.5123 -2.7335 -2.7335 -2.4027 -2.4027 -1.4087 -1.4087 -1.1929 -1.1929 -0.4600 -0.4600 -0.4074 -0.4074 2.1001 2.1001 3.7256 3.7256 3.9615 3.9615 6.1603 6.1603 6.3666 6.3666 10.0867 10.0867 10.4332 10.4332 10.6265 10.6265 10.8734 10.8734 k = 0.2656-0.2577 0.7524 ( 8482 PWs) bands (ev): -13.4588 -13.4588 -13.3609 -13.3609 -12.9626 -12.9626 -7.5904 -7.5904 -2.7118 -2.7118 -2.3136 -2.3136 -1.4608 -1.4608 -1.0982 -1.0982 -0.4428 -0.4428 -0.0788 -0.0788 2.0329 2.0329 3.7500 3.7500 3.8338 3.8338 6.3042 6.3042 6.3640 6.3640 9.7969 9.7969 10.2665 10.2665 11.4639 11.4639 11.5836 11.5836 k = 0.2723-0.2642 0.7385 ( 8485 PWs) bands (ev): -13.4645 -13.4645 -13.3686 -13.3686 -12.9526 -12.9526 -7.5940 -7.5940 -2.7042 -2.7042 -2.3168 -2.3168 -1.4366 -1.4366 -1.1011 -1.1011 -0.4123 -0.4123 -0.0789 -0.0789 2.0360 2.0360 3.7400 3.7400 3.8223 3.8223 6.2996 6.2996 6.3722 6.3722 9.7994 9.7994 10.2675 10.2675 11.4572 11.4572 11.5462 11.5462 k = 0.2790-0.2707 0.7246 ( 8489 PWs) bands (ev): -13.4714 -13.4714 -13.3761 -13.3761 -12.9415 -12.9415 -7.5975 -7.5975 -2.6961 -2.6961 -2.3195 -2.3195 -1.4127 -1.4127 -1.1019 -1.1019 -0.3824 -0.3824 -0.0792 -0.0792 2.0391 2.0391 3.7286 3.7286 3.8109 3.8109 6.2958 6.2958 6.3807 6.3807 9.7990 9.7990 10.2672 10.2672 11.4467 11.4467 11.5111 11.5111 k = 0.2857-0.2772 0.7107 ( 8494 PWs) bands (ev): -13.4793 -13.4793 -13.3836 -13.3836 -12.9296 -12.9296 -7.6010 -7.6010 -2.6874 -2.6874 -2.3220 -2.3220 -1.3897 -1.3897 -1.1004 -1.1004 -0.3533 -0.3533 -0.0796 -0.0796 2.0422 2.0422 3.7158 3.7158 3.7998 3.7998 6.2929 6.2929 6.3892 6.3892 9.7951 9.7951 10.2657 10.2657 11.4327 11.4327 11.4787 11.4787 k = 0.2923-0.2836 0.6969 ( 8493 PWs) bands (ev): -13.4879 -13.4879 -13.3909 -13.3909 -12.9170 -12.9170 -7.6045 -7.6045 -2.6783 -2.6783 -2.3241 -2.3241 -1.3682 -1.3682 -1.0961 -1.0961 -0.3250 -0.3250 -0.0801 -0.0801 2.0453 2.0453 3.7015 3.7015 3.7893 3.7893 6.2908 6.2908 6.3979 6.3979 9.7872 9.7872 10.2628 10.2628 11.4152 11.4152 11.4496 11.4496 k = 0.2990-0.2901 0.6830 ( 8491 PWs) bands (ev): -13.4970 -13.4970 -13.3981 -13.3981 -12.9041 -12.9041 -7.6080 -7.6080 -2.6687 -2.6687 -2.3262 -2.3262 -1.3487 -1.3487 -1.0886 -1.0886 -0.2977 -0.2977 -0.0806 -0.0806 2.0483 2.0483 3.6857 3.6857 3.7797 3.7797 6.2894 6.2894 6.4066 6.4066 9.7746 9.7746 10.2586 10.2586 11.3943 11.3943 11.4242 11.4242 k = 0.3057-0.2966 0.6691 ( 8493 PWs) bands (ev): -13.5065 -13.5065 -13.4051 -13.4051 -12.8909 -12.8909 -7.6114 -7.6114 -2.6585 -2.6585 -2.3281 -2.3281 -1.3321 -1.3321 -1.0777 -1.0777 -0.2716 -0.2716 -0.0809 -0.0809 2.0514 2.0514 3.6683 3.6683 3.7710 3.7710 6.2888 6.2888 6.4153 6.4153 9.7570 9.7570 10.2533 10.2533 11.3708 11.3708 11.4020 11.4020 k = 0.3124-0.3031 0.6552 ( 8497 PWs) bands (ev): -13.5161 -13.5161 -13.4120 -13.4120 -12.8777 -12.8777 -7.6147 -7.6147 -2.6478 -2.6478 -2.3301 -2.3301 -1.3185 -1.3185 -1.0630 -1.0630 -0.2468 -0.2468 -0.0807 -0.0807 2.0544 2.0544 3.6495 3.6495 3.7634 3.7634 6.2888 6.2888 6.4240 6.4240 9.7343 9.7343 10.2471 10.2471 11.3468 11.3468 11.3813 11.3813 k = 0.3191-0.3096 0.6414 ( 8496 PWs) bands (ev): -13.5258 -13.5258 -13.4186 -13.4186 -12.8646 -12.8646 -7.6180 -7.6180 -2.6366 -2.6366 -2.3320 -2.3320 -1.3081 -1.3081 -1.0450 -1.0450 -0.2237 -0.2237 -0.0799 -0.0799 2.0573 2.0573 3.6296 3.6296 3.7568 3.7568 6.2894 6.2894 6.4326 6.4326 9.7065 9.7065 10.2400 10.2400 11.3232 11.3233 11.3614 11.3614 k = 0.3258-0.3161 0.6275 ( 8500 PWs) bands (ev): -13.5354 -13.5354 -13.4249 -13.4249 -12.8518 -12.8518 -7.6211 -7.6211 -2.6249 -2.6249 -2.3341 -2.3341 -1.3007 -1.3007 -1.0239 -1.0239 -0.2028 -0.2028 -0.0780 -0.0780 2.0601 2.0601 3.6086 3.6086 3.7512 3.7512 6.2906 6.2906 6.4410 6.4410 9.6739 9.6739 10.2325 10.2325 11.3008 11.3008 11.3418 11.3418 k = 0.3325-0.3226 0.6136 ( 8498 PWs) bands (ev): -13.5447 -13.5447 -13.4310 -13.4310 -12.8393 -12.8393 -7.6242 -7.6242 -2.6129 -2.6129 -2.3362 -2.3362 -1.2960 -1.2960 -1.0005 -1.0005 -0.1846 -0.1846 -0.0743 -0.0743 2.0628 2.0628 3.5870 3.5870 3.7466 3.7466 6.2922 6.2922 6.4492 6.4492 9.6370 9.6370 10.2248 10.2248 11.2798 11.2798 11.3227 11.3227 k = 0.3392-0.3291 0.5997 ( 8496 PWs) bands (ev): -13.5538 -13.5538 -13.4369 -13.4369 -12.8272 -12.8272 -7.6271 -7.6271 -2.6005 -2.6005 -2.3386 -2.3386 -1.2934 -1.2934 -0.9756 -0.9756 -0.1698 -0.1698 -0.0683 -0.0683 2.0655 2.0655 3.5648 3.5648 3.7429 3.7429 6.2942 6.2942 6.4572 6.4572 9.5966 9.5966 10.2170 10.2170 11.2601 11.2601 11.3040 11.3040 k = 0.3459-0.3356 0.5858 ( 8494 PWs) bands (ev): -13.5626 -13.5626 -13.4424 -13.4424 -12.8157 -12.8157 -7.6299 -7.6299 -2.5879 -2.5879 -2.3411 -2.3411 -1.2925 -1.2925 -0.9498 -0.9498 -0.1588 -0.1588 -0.0596 -0.0596 2.0680 2.0680 3.5424 3.5424 3.7401 3.7401 6.2966 6.2966 6.4649 6.4649 9.5536 9.5536 10.2094 10.2094 11.2418 11.2418 11.2860 11.2860 k = 0.3526-0.3421 0.5720 ( 8508 PWs) bands (ev): -13.5709 -13.5709 -13.4476 -13.4476 -12.8048 -12.8048 -7.6325 -7.6325 -2.5751 -2.5751 -2.3438 -2.3438 -1.2929 -1.2929 -0.9237 -0.9237 -0.1514 -0.1514 -0.0483 -0.0483 2.0704 2.0704 3.5200 3.5200 3.7382 3.7382 6.2991 6.2991 6.4723 6.4723 9.5089 9.5089 10.2020 10.2020 11.2250 11.2250 11.2687 11.2687 k = 0.3593-0.3486 0.5581 ( 8502 PWs) bands (ev): -13.5788 -13.5788 -13.4524 -13.4524 -12.7946 -12.7946 -7.6350 -7.6350 -2.5622 -2.5622 -2.3467 -2.3467 -1.2942 -1.2942 -0.8979 -0.8979 -0.1470 -0.1470 -0.0353 -0.0353 2.0726 2.0726 3.4979 3.4979 3.7369 3.7369 6.3018 6.3018 6.4793 6.4793 9.4635 9.4635 10.1950 10.1950 11.2096 11.2096 11.2524 11.2524 k = 0.3660-0.3551 0.5442 ( 8512 PWs) bands (ev): -13.5861 -13.5861 -13.4569 -13.4569 -12.7851 -12.7851 -7.6372 -7.6372 -2.5493 -2.5493 -2.3499 -2.3499 -1.2963 -1.2963 -0.8730 -0.8730 -0.1446 -0.1446 -0.0213 -0.0213 2.0747 2.0747 3.4764 3.4764 3.7363 3.7363 6.3046 6.3046 6.4859 6.4859 9.4185 9.4185 10.1884 10.1884 11.1956 11.1956 11.2370 11.2370 k = 0.3727-0.3616 0.5303 ( 8506 PWs) bands (ev): -13.5928 -13.5928 -13.4610 -13.4610 -12.7764 -12.7764 -7.6394 -7.6394 -2.5366 -2.5366 -2.3533 -2.3533 -1.2989 -1.2989 -0.8493 -0.8493 -0.1436 -0.1436 -0.0071 -0.0071 2.0766 2.0766 3.4557 3.4557 3.7362 3.7362 6.3074 6.3074 6.4920 6.4920 9.3748 9.3748 10.1822 10.1822 11.1829 11.1829 11.2228 11.2228 k = 0.3794-0.3681 0.5165 ( 8498 PWs) bands (ev): -13.5989 -13.5989 -13.4647 -13.4647 -12.7685 -12.7685 -7.6413 -7.6413 -2.5241 -2.5241 -2.3570 -2.3570 -1.3017 -1.3017 -0.8272 -0.8272 -0.1435 -0.1435 0.0066 0.0066 2.0783 2.0783 3.4363 3.4363 3.7365 3.7365 6.3102 6.3102 6.4976 6.4976 9.3332 9.3332 10.1766 10.1766 11.1716 11.1716 11.2099 11.2099 k = 0.3861-0.3746 0.5026 ( 8510 PWs) bands (ev): -13.6043 -13.6043 -13.4680 -13.4680 -12.7614 -12.7614 -7.6430 -7.6430 -2.5121 -2.5121 -2.3609 -2.3609 -1.3047 -1.3047 -0.8069 -0.8069 -0.1438 -0.1438 0.0194 0.0194 2.0798 2.0798 3.4183 3.4183 3.7372 3.7372 6.3127 6.3127 6.5026 6.5026 9.2947 9.2947 10.1716 10.1716 11.1617 11.1617 11.1982 11.1982 k = 0.3928-0.3811 0.4887 ( 8516 PWs) bands (ev): -13.6091 -13.6091 -13.4709 -13.4709 -12.7553 -12.7553 -7.6445 -7.6445 -2.5007 -2.5007 -2.3650 -2.3650 -1.3075 -1.3075 -0.7889 -0.7889 -0.1445 -0.1445 0.0311 0.0311 2.0812 2.0812 3.4020 3.4020 3.7381 3.7381 6.3151 6.3151 6.5070 6.5070 9.2599 9.2599 10.1672 10.1672 11.1531 11.1532 11.1879 11.1879 k = 0.3995-0.3876 0.4748 ( 8518 PWs) bands (ev): -13.6132 -13.6132 -13.4733 -13.4733 -12.7500 -12.7500 -7.6458 -7.6458 -2.4901 -2.4901 -2.3691 -2.3691 -1.3102 -1.3102 -0.7732 -0.7732 -0.1452 -0.1452 0.0414 0.0414 2.0823 2.0823 3.3877 3.3877 3.7390 3.7390 6.3172 6.3172 6.5108 6.5108 9.2293 9.2293 10.1633 10.1633 11.1459 11.1459 11.1791 11.1791 k = 0.4061-0.3941 0.4610 ( 8514 PWs) bands (ev): -13.6166 -13.6166 -13.4754 -13.4754 -12.7457 -12.7457 -7.6468 -7.6468 -2.4805 -2.4805 -2.3733 -2.3733 -1.3126 -1.3126 -0.7602 -0.7602 -0.1459 -0.1459 0.0500 0.0500 2.0833 2.0833 3.3757 3.3757 3.7400 3.7400 6.3190 6.3190 6.5140 6.5140 9.2037 9.2037 10.1602 10.1602 11.1400 11.1400 11.1718 11.1718 k = 0.4128-0.4006 0.4471 ( 8511 PWs) bands (ev): -13.6192 -13.6192 -13.4770 -13.4770 -12.7423 -12.7423 -7.6476 -7.6476 -2.4723 -2.4723 -2.3771 -2.3771 -1.3146 -1.3146 -0.7499 -0.7499 -0.1465 -0.1465 0.0569 0.0569 2.0840 2.0840 3.3661 3.3661 3.7408 3.7408 6.3205 6.3205 6.5165 6.5165 9.1832 9.1832 10.1577 10.1577 11.1355 11.1355 11.1661 11.1661 k = 0.4195-0.4071 0.4332 ( 8515 PWs) bands (ev): -13.6211 -13.6211 -13.4781 -13.4781 -12.7399 -12.7399 -7.6482 -7.6482 -2.4659 -2.4659 -2.3804 -2.3804 -1.3160 -1.3160 -0.7424 -0.7424 -0.1470 -0.1470 0.0619 0.0619 2.0845 2.0845 3.3591 3.3591 3.7415 3.7415 6.3215 6.3215 6.5183 6.5183 9.1684 9.1684 10.1559 10.1559 11.1322 11.1322 11.1619 11.1619 k = 0.4262-0.4135 0.4193 ( 8522 PWs) bands (ev): -13.6222 -13.6222 -13.4788 -13.4788 -12.7384 -12.7384 -7.6486 -7.6486 -2.4617 -2.4617 -2.3827 -2.3827 -1.3169 -1.3169 -0.7379 -0.7379 -0.1473 -0.1473 0.0649 0.0649 2.0848 2.0848 3.3549 3.3549 3.7419 3.7419 6.3222 6.3222 6.5194 6.5194 9.1594 9.1594 10.1548 10.1548 11.1303 11.1303 11.1594 11.1594 k = 0.4329-0.4200 0.4055 ( 8518 PWs) bands (ev): -13.6226 -13.6226 -13.4790 -13.4790 -12.7379 -12.7379 -7.6487 -7.6487 -2.4603 -2.4603 -2.3835 -2.3835 -1.3172 -1.3172 -0.7364 -0.7364 -0.1474 -0.1474 0.0660 0.0660 2.0850 2.0850 3.3534 3.3534 3.7421 3.7421 6.3224 6.3224 6.5197 6.5197 9.1564 9.1564 10.1545 10.1545 11.1296 11.1296 11.1586 11.1586 k = 0.5671 0.4503 0.0628 ( 8518 PWs) bands (ev): -13.6226 -13.6226 -13.4790 -13.4790 -12.7379 -12.7379 -7.6487 -7.6487 -2.4603 -2.4603 -2.3835 -2.3835 -1.3172 -1.3172 -0.7364 -0.7364 -0.1474 -0.1474 0.0660 0.0660 2.0850 2.0850 3.3534 3.3534 3.7421 3.7421 6.3224 6.3224 6.5197 6.5197 9.1564 9.1564 10.1545 10.1545 11.1296 11.1296 11.1586 11.1586 k = 0.5575 0.4596 0.0538 ( 8522 PWs) bands (ev): -13.6159 -13.6159 -13.4826 -13.4826 -12.7409 -12.7409 -7.6525 -7.6525 -2.4602 -2.4602 -2.3921 -2.3921 -1.3239 -1.3239 -0.7274 -0.7274 -0.1417 -0.1417 0.0863 0.0863 2.0868 2.0868 3.3414 3.3414 3.7466 3.7466 6.3219 6.3219 6.5204 6.5204 9.1457 9.1457 10.1804 10.1804 11.0861 11.0861 11.1287 11.1287 k = 0.5479 0.4689 0.0449 ( 8518 PWs) bands (ev): -13.6102 -13.6102 -13.4857 -13.4857 -12.7435 -12.7435 -7.6557 -7.6557 -2.4590 -2.4590 -2.4007 -2.4007 -1.3295 -1.3295 -0.7197 -0.7197 -0.1368 -0.1368 0.1040 0.1040 2.0884 2.0884 3.3308 3.3308 3.7504 3.7504 6.3217 6.3217 6.5210 6.5210 9.1367 9.1367 10.2034 10.2034 11.0487 11.0487 11.1021 11.1021 k = 0.5383 0.4781 0.0359 ( 8508 PWs) bands (ev): -13.6055 -13.6055 -13.4882 -13.4882 -12.7455 -12.7455 -7.6585 -7.6585 -2.4567 -2.4567 -2.4090 -2.4090 -1.3341 -1.3341 -0.7134 -0.7134 -0.1329 -0.1329 0.1189 0.1189 2.0897 2.0897 3.3217 3.3217 3.7536 3.7536 6.3218 6.3218 6.5215 6.5215 9.1296 9.1296 10.2230 10.2230 11.0176 11.0176 11.0793 11.0793 k = 0.5287 0.4874 0.0269 ( 8512 PWs) bands (ev): -13.6019 -13.6019 -13.4901 -13.4901 -12.7472 -12.7472 -7.6606 -7.6606 -2.4535 -2.4535 -2.4170 -2.4170 -1.3377 -1.3377 -0.7085 -0.7085 -0.1299 -0.1299 0.1307 0.1307 2.0908 2.0908 3.3145 3.3145 3.7561 3.7561 6.3220 6.3220 6.5218 6.5218 9.1241 9.1241 10.2388 10.2388 10.9933 10.9933 11.0608 11.0608 k = 0.5192 0.4967 0.0179 ( 8504 PWs) bands (ev): -13.5992 -13.5992 -13.4915 -13.4915 -12.7484 -12.7484 -7.6622 -7.6622 -2.4493 -2.4493 -2.4246 -2.4246 -1.3403 -1.3403 -0.7050 -0.7050 -0.1277 -0.1277 0.1393 0.1393 2.0916 2.0916 3.3092 3.3092 3.7579 3.7579 6.3222 6.3222 6.5220 6.5220 9.1203 9.1203 10.2504 10.2504 10.9757 10.9757 11.0472 11.0472 k = 0.5096 0.5060 0.0090 ( 8506 PWs) bands (ev): -13.5976 -13.5976 -13.4924 -13.4924 -12.7491 -12.7491 -7.6631 -7.6631 -2.4444 -2.4444 -2.4315 -2.4315 -1.3418 -1.3418 -0.7029 -0.7029 -0.1264 -0.1264 0.1445 0.1445 2.0921 2.0921 3.3060 3.3060 3.7590 3.7590 6.3223 6.3223 6.5222 6.5222 9.1180 9.1180 10.2576 10.2576 10.9651 10.9651 11.0389 11.0389 k = 0.5000 0.5153-0.0000 ( 8506 PWs) bands (ev): -13.5971 -13.5971 -13.4927 -13.4927 -12.7493 -12.7493 -7.6634 -7.6634 -2.4401 -2.4401 -2.4365 -2.4365 -1.3423 -1.3423 -0.7022 -0.7022 -0.1259 -0.1259 0.1462 0.1462 2.0922 2.0922 3.3049 3.3049 3.7593 3.7593 6.3223 6.3223 6.5222 6.5222 9.1172 9.1172 10.2600 10.2600 10.9616 10.9616 11.0360 11.0360 Writing output data file Cs2O2.save init_run : 0.35s CPU 0.52s WALL ( 1 calls) electrons : 296.74s CPU 300.96s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 296.73s CPU 300.95s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.18s CPU 0.18s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.13s CPU 0.14s WALL ( 369 calls) cegterg : 275.88s CPU 278.62s WALL ( 845 calls) Called by sum_band: Called by *egterg: h_psi : 194.24s CPU 196.35s WALL ( 13901 calls) s_psi : 4.85s CPU 4.97s WALL ( 13901 calls) g_psi : 0.69s CPU 0.56s WALL ( 12687 calls) cdiaghg : 58.55s CPU 59.42s WALL ( 13056 calls) cegterg:over : 10.25s CPU 10.22s WALL ( 12687 calls) cegterg:upda : 10.89s CPU 10.93s WALL ( 12687 calls) cegterg:last : 4.59s CPU 4.63s WALL ( 1953 calls) cdiaghg:chol : 3.14s CPU 3.51s WALL ( 13056 calls) cdiaghg:inve : 1.85s CPU 1.69s WALL ( 13056 calls) cdiaghg:para : 3.33s CPU 3.41s WALL ( 26112 calls) Called by h_psi: h_psi:vloc : 170.38s CPU 172.33s WALL ( 13901 calls) h_psi:vnl : 23.40s CPU 23.55s WALL ( 13901 calls) add_vuspsi : 14.08s CPU 14.07s WALL ( 13901 calls) General routines calbec : 9.27s CPU 9.44s WALL ( 13901 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 161.53s CPU 163.34s WALL ( 902184 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.25s CPU 0.38s WALL ( 738 calls) Parallel routines fft_scatter : 54.31s CPU 55.14s WALL ( 902207 calls) PWSCF : 5m17.01s CPU 5m42.66s WALL This run was terminated on: 17:39:13 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=