Program PWSCF v.5.1.1 starts on 20Jun2016 at 2:28:22 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./LiPN2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 56 56 15 1472 1472 215 Max 57 57 16 1475 1475 220 Sum 2697 2697 755 70699 70699 10427 bravais-lattice index = 14 lattice parameter (alat) = 9.0970 a.u. unit-cell volume = 502.4892 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 411.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.096954 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.549974 celldm(5)= -0.549974 celldm(6)= 0.099948 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.099948 0.994993 0.000000 ) a(3) = ( -0.549974 -0.497496 0.670840 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.100451 0.745334 ) b(2) = ( 0.000000 1.005033 0.745334 ) b(3) = ( 0.000000 0.000000 1.490669 ) PseudoPot. # 1 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 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 Li read from file: /home/autes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /home/autes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential N 5.00 14.00670 N( 1.00) Li 3.00 6.94100 Li( 1.00) P 5.00 30.97380 P( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( -0.2500000 ) ( -1 -1 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.0499739 ) ( 0.0000000 1.0000000 0.0000000 ) ( -0.4974963 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3354199 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 358 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 2) = ( 0.0000000 0.0000000 0.0152109), wk = 0.0027933 k( 3) = ( 0.0000000 0.0000000 0.0304218), wk = 0.0027933 k( 4) = ( 0.0000000 0.0000000 0.0456327), wk = 0.0027933 k( 5) = ( 0.0000000 0.0000000 0.0608436), wk = 0.0027933 k( 6) = ( 0.0000000 0.0000000 0.0760545), wk = 0.0027933 k( 7) = ( 0.0000000 0.0000000 0.0912654), wk = 0.0027933 k( 8) = ( 0.0000000 0.0000000 0.1064763), wk = 0.0027933 k( 9) = ( 0.0000000 0.0000000 0.1216872), wk = 0.0027933 k( 10) = ( 0.0000000 0.0000000 0.1368981), wk = 0.0027933 k( 11) = ( 0.0000000 0.0000000 0.1521091), wk = 0.0027933 k( 12) = ( 0.0000000 0.0000000 0.1673200), wk = 0.0027933 k( 13) = ( 0.0000000 0.0000000 0.1825309), wk = 0.0027933 k( 14) = ( 0.0000000 0.0000000 0.1977418), wk = 0.0027933 k( 15) = ( 0.0000000 0.0000000 0.2129527), wk = 0.0027933 k( 16) = ( 0.0000000 0.0000000 0.2281636), wk = 0.0027933 k( 17) = ( 0.0000000 0.0000000 0.2433745), wk = 0.0027933 k( 18) = ( 0.0000000 0.0000000 0.2585854), wk = 0.0027933 k( 19) = ( 0.0000000 0.0000000 0.2737963), wk = 0.0027933 k( 20) = ( 0.0000000 0.0000000 0.2890072), wk = 0.0027933 k( 21) = ( 0.0000000 0.0000000 0.3042181), wk = 0.0027933 k( 22) = ( 0.0000000 0.0000000 0.3194290), wk = 0.0027933 k( 23) = ( 0.0000000 0.0000000 0.3346399), wk = 0.0027933 k( 24) = ( 0.0000000 0.0000000 0.3498508), wk = 0.0027933 k( 25) = ( 0.0000000 0.0000000 0.3650617), wk = 0.0027933 k( 26) = ( 0.0000000 0.0000000 0.3802726), wk = 0.0027933 k( 27) = ( 0.0000000 0.0000000 0.3954836), wk = 0.0027933 k( 28) = ( 0.0000000 0.0000000 0.4106945), wk = 0.0027933 k( 29) = ( 0.0000000 0.0000000 0.4259054), wk = 0.0027933 k( 30) = ( 0.0000000 0.0000000 0.4411163), wk = 0.0027933 k( 31) = ( 0.0000000 0.0000000 0.4563272), wk = 0.0027933 k( 32) = ( 0.0000000 0.0000000 0.4715381), wk = 0.0027933 k( 33) = ( 0.0000000 0.0000000 0.4867490), wk = 0.0027933 k( 34) = ( 0.0000000 0.0000000 0.5019599), wk = 0.0027933 k( 35) = ( 0.0000000 0.0000000 0.5171708), wk = 0.0027933 k( 36) = ( 0.0000000 0.0000000 0.5323817), wk = 0.0027933 k( 37) = ( 0.0000000 0.0000000 0.5475926), wk = 0.0027933 k( 38) = ( 0.0000000 0.0000000 0.5628035), wk = 0.0027933 k( 39) = ( 0.0000000 0.0000000 0.5780144), wk = 0.0027933 k( 40) = ( 0.0000000 0.0000000 0.5932253), wk = 0.0027933 k( 41) = ( 0.0000000 0.0000000 0.6084362), wk = 0.0027933 k( 42) = ( 0.0000000 0.0000000 0.6236471), wk = 0.0027933 k( 43) = ( 0.0000000 0.0000000 0.6388581), wk = 0.0027933 k( 44) = ( 0.0000000 0.0000000 0.6540690), wk = 0.0027933 k( 45) = ( 0.0000000 0.0000000 0.6692799), wk = 0.0027933 k( 46) = ( 0.0000000 0.0000000 0.6844908), wk = 0.0027933 k( 47) = ( 0.0000000 0.0000000 0.6997017), wk = 0.0027933 k( 48) = ( 0.0000000 0.0000000 0.7149126), wk = 0.0027933 k( 49) = ( 0.0000000 0.0000000 0.7301235), wk = 0.0027933 k( 50) = ( 0.0000000 0.0000000 0.7453344), wk = 0.0027933 k( 51) = ( 0.0000000 0.0000000 0.7453344), wk = 0.0027933 k( 52) = ( -0.0102284 0.0113073 0.7453344), wk = 0.0027933 k( 53) = ( -0.0204567 0.0226145 0.7453344), wk = 0.0027933 k( 54) = ( -0.0306850 0.0339218 0.7453344), wk = 0.0027933 k( 55) = ( -0.0409134 0.0452291 0.7453344), wk = 0.0027933 k( 56) = ( -0.0511417 0.0565364 0.7453344), wk = 0.0027933 k( 57) = ( -0.0613701 0.0678436 0.7453344), wk = 0.0027933 k( 58) = ( -0.0715984 0.0791509 0.7453344), wk = 0.0027933 k( 59) = ( -0.0818268 0.0904582 0.7453344), wk = 0.0027933 k( 60) = ( -0.0920552 0.1017654 0.7453344), wk = 0.0027933 k( 61) = ( -0.1022835 0.1130727 0.7453344), wk = 0.0027933 k( 62) = ( -0.1125119 0.1243800 0.7453344), wk = 0.0027933 k( 63) = ( -0.1227402 0.1356873 0.7453344), wk = 0.0027933 k( 64) = ( -0.1329686 0.1469945 0.7453344), wk = 0.0027933 k( 65) = ( -0.1431969 0.1583018 0.7453344), wk = 0.0027933 k( 66) = ( -0.1534253 0.1696091 0.7453344), wk = 0.0027933 k( 67) = ( -0.1636536 0.1809163 0.7453344), wk = 0.0027933 k( 68) = ( -0.1738820 0.1922236 0.7453344), wk = 0.0027933 k( 69) = ( -0.1841103 0.2035309 0.7453344), wk = 0.0027933 k( 70) = ( -0.1943387 0.2148382 0.7453344), wk = 0.0027933 k( 71) = ( -0.2045670 0.2261454 0.7453344), wk = 0.0027933 k( 72) = ( -0.2045670 0.2261454 0.7453344), wk = 0.0027933 k( 73) = ( -0.2116011 0.2339215 0.7348488), wk = 0.0027933 k( 74) = ( -0.2186353 0.2416976 0.7243633), wk = 0.0027933 k( 75) = ( -0.2256694 0.2494737 0.7138778), wk = 0.0027933 k( 76) = ( -0.2327035 0.2572498 0.7033922), wk = 0.0027933 k( 77) = ( -0.2397376 0.2650259 0.6929067), wk = 0.0027933 k( 78) = ( -0.2467717 0.2728020 0.6824211), wk = 0.0027933 k( 79) = ( -0.2538058 0.2805781 0.6719356), wk = 0.0027933 k( 80) = ( -0.2608400 0.2883542 0.6614501), wk = 0.0027933 k( 81) = ( -0.2678741 0.2961303 0.6509645), wk = 0.0027933 k( 82) = ( -0.2749082 0.3039064 0.6404790), wk = 0.0027933 k( 83) = ( -0.2819423 0.3116825 0.6299934), wk = 0.0027933 k( 84) = ( -0.2889764 0.3194586 0.6195079), wk = 0.0027933 k( 85) = ( -0.2960106 0.3272347 0.6090224), wk = 0.0027933 k( 86) = ( -0.3030447 0.3350108 0.5985368), wk = 0.0027933 k( 87) = ( -0.3100788 0.3427869 0.5880513), wk = 0.0027933 k( 88) = ( -0.3171129 0.3505630 0.5775657), wk = 0.0027933 k( 89) = ( -0.3241470 0.3583391 0.5670802), wk = 0.0027933 k( 90) = ( -0.3311811 0.3661152 0.5565946), wk = 0.0027933 k( 91) = ( -0.3382153 0.3738913 0.5461091), wk = 0.0027933 k( 92) = ( -0.3452494 0.3816674 0.5356236), wk = 0.0027933 k( 93) = ( -0.3522835 0.3894436 0.5251380), wk = 0.0027933 k( 94) = ( -0.3522835 0.3894436 0.5251380), wk = 0.0027933 k( 95) = ( -0.3450940 0.3814957 0.5144209), wk = 0.0027933 k( 96) = ( -0.3379046 0.3735479 0.5037038), wk = 0.0027933 k( 97) = ( -0.3307151 0.3656001 0.4929867), wk = 0.0027933 k( 98) = ( -0.3235257 0.3576522 0.4822696), wk = 0.0027933 k( 99) = ( -0.3163362 0.3497044 0.4715525), wk = 0.0027933 k( 100) = ( -0.3091468 0.3417566 0.4608354), wk = 0.0027933 k( 101) = ( -0.3019573 0.3338088 0.4501183), wk = 0.0027933 k( 102) = ( -0.2947678 0.3258609 0.4394012), wk = 0.0027933 k( 103) = ( -0.2875784 0.3179131 0.4286841), wk = 0.0027933 k( 104) = ( -0.2803889 0.3099653 0.4179670), wk = 0.0027933 k( 105) = ( -0.2731995 0.3020174 0.4072499), wk = 0.0027933 k( 106) = ( -0.2660100 0.2940696 0.3965328), wk = 0.0027933 k( 107) = ( -0.2588205 0.2861218 0.3858157), wk = 0.0027933 k( 108) = ( -0.2516311 0.2781740 0.3750986), wk = 0.0027933 k( 109) = ( -0.2444416 0.2702261 0.3643815), wk = 0.0027933 k( 110) = ( -0.2372522 0.2622783 0.3536644), wk = 0.0027933 k( 111) = ( -0.2300627 0.2543305 0.3429473), wk = 0.0027933 k( 112) = ( -0.2228732 0.2463827 0.3322302), wk = 0.0027933 k( 113) = ( -0.2156838 0.2384348 0.3215131), wk = 0.0027933 k( 114) = ( -0.2084943 0.2304870 0.3107960), wk = 0.0027933 k( 115) = ( -0.2013049 0.2225392 0.3000789), wk = 0.0027933 k( 116) = ( -0.1941154 0.2145913 0.2893618), wk = 0.0027933 k( 117) = ( -0.1869259 0.2066435 0.2786447), wk = 0.0027933 k( 118) = ( -0.1797365 0.1986957 0.2679276), wk = 0.0027933 k( 119) = ( -0.1725470 0.1907479 0.2572105), wk = 0.0027933 k( 120) = ( -0.1653576 0.1828000 0.2464934), wk = 0.0027933 k( 121) = ( -0.1581681 0.1748522 0.2357762), wk = 0.0027933 k( 122) = ( -0.1509786 0.1669044 0.2250592), wk = 0.0027933 k( 123) = ( -0.1437892 0.1589566 0.2143421), wk = 0.0027933 k( 124) = ( -0.1365997 0.1510087 0.2036250), wk = 0.0027933 k( 125) = ( -0.1294103 0.1430609 0.1929078), wk = 0.0027933 k( 126) = ( -0.1222208 0.1351131 0.1821907), wk = 0.0027933 k( 127) = ( -0.1150314 0.1271652 0.1714736), wk = 0.0027933 k( 128) = ( -0.1078419 0.1192174 0.1607565), wk = 0.0027933 k( 129) = ( -0.1006524 0.1112696 0.1500394), wk = 0.0027933 k( 130) = ( -0.0934630 0.1033218 0.1393223), wk = 0.0027933 k( 131) = ( -0.0862735 0.0953739 0.1286052), wk = 0.0027933 k( 132) = ( -0.0790841 0.0874261 0.1178881), wk = 0.0027933 k( 133) = ( -0.0718946 0.0794783 0.1071710), wk = 0.0027933 k( 134) = ( -0.0647051 0.0715304 0.0964539), wk = 0.0027933 k( 135) = ( -0.0575157 0.0635826 0.0857368), wk = 0.0027933 k( 136) = ( -0.0503262 0.0556348 0.0750197), wk = 0.0027933 k( 137) = ( -0.0431368 0.0476870 0.0643026), wk = 0.0027933 k( 138) = ( -0.0359473 0.0397391 0.0535855), wk = 0.0027933 k( 139) = ( -0.0287578 0.0317913 0.0428684), wk = 0.0027933 k( 140) = ( -0.0215684 0.0238435 0.0321513), wk = 0.0027933 k( 141) = ( -0.0143789 0.0158957 0.0214342), wk = 0.0027933 k( 142) = ( -0.0071895 0.0079478 0.0107171), wk = 0.0027933 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 145) = ( 0.0113636 0.0102793 -0.0000000), wk = 0.0027933 k( 146) = ( 0.0227273 0.0205587 -0.0000000), wk = 0.0027933 k( 147) = ( 0.0340909 0.0308380 -0.0000000), wk = 0.0027933 k( 148) = ( 0.0454546 0.0411174 0.0000000), wk = 0.0027933 k( 149) = ( 0.0568182 0.0513967 -0.0000000), wk = 0.0027933 k( 150) = ( 0.0681818 0.0616760 -0.0000000), wk = 0.0027933 k( 151) = ( 0.0795455 0.0719554 -0.0000000), wk = 0.0027933 k( 152) = ( 0.0909091 0.0822347 0.0000000), wk = 0.0027933 k( 153) = ( 0.1022727 0.0925140 -0.0000000), wk = 0.0027933 k( 154) = ( 0.1136364 0.1027934 -0.0000000), wk = 0.0027933 k( 155) = ( 0.1250000 0.1130727 -0.0000000), wk = 0.0027933 k( 156) = ( 0.1363636 0.1233521 -0.0000000), wk = 0.0027933 k( 157) = ( 0.1477273 0.1336314 -0.0000000), wk = 0.0027933 k( 158) = ( 0.1590909 0.1439107 -0.0000000), wk = 0.0027933 k( 159) = ( 0.1704546 0.1541901 -0.0000000), wk = 0.0027933 k( 160) = ( 0.1818182 0.1644694 0.0000000), wk = 0.0027933 k( 161) = ( 0.1931818 0.1747487 0.0000000), wk = 0.0027933 k( 162) = ( 0.2045454 0.1850281 -0.0000000), wk = 0.0027933 k( 163) = ( 0.2159091 0.1953074 -0.0000000), wk = 0.0027933 k( 164) = ( 0.2272727 0.2055868 -0.0000000), wk = 0.0027933 k( 165) = ( 0.2386364 0.2158661 -0.0000000), wk = 0.0027933 k( 166) = ( 0.2500000 0.2261454 -0.0000000), wk = 0.0027933 k( 167) = ( 0.2613636 0.2364248 -0.0000000), wk = 0.0027933 k( 168) = ( 0.2727273 0.2467041 -0.0000000), wk = 0.0027933 k( 169) = ( 0.2840909 0.2569834 -0.0000000), wk = 0.0027933 k( 170) = ( 0.2954545 0.2672628 -0.0000000), wk = 0.0027933 k( 171) = ( 0.3068182 0.2775421 -0.0000000), wk = 0.0027933 k( 172) = ( 0.3181818 0.2878215 -0.0000000), wk = 0.0027933 k( 173) = ( 0.3295455 0.2981008 -0.0000000), wk = 0.0027933 k( 174) = ( 0.3409091 0.3083801 0.0000000), wk = 0.0027933 k( 175) = ( 0.3522727 0.3186595 -0.0000000), wk = 0.0027933 k( 176) = ( 0.3636364 0.3289388 0.0000000), wk = 0.0027933 k( 177) = ( 0.3750000 0.3392181 0.0000000), wk = 0.0027933 k( 178) = ( 0.3863636 0.3494975 0.0000000), wk = 0.0027933 k( 179) = ( 0.3977273 0.3597768 -0.0000000), wk = 0.0027933 k( 180) = ( 0.4090909 0.3700562 -0.0000000), wk = 0.0027933 k( 181) = ( 0.4204545 0.3803355 -0.0000000), wk = 0.0027933 k( 182) = ( 0.4318182 0.3906148 -0.0000000), wk = 0.0027933 k( 183) = ( 0.4431818 0.4008942 -0.0000000), wk = 0.0027933 k( 184) = ( 0.4545455 0.4111735 -0.0000000), wk = 0.0027933 k( 185) = ( 0.4659091 0.4214528 -0.0000000), wk = 0.0027933 k( 186) = ( 0.4772727 0.4317322 0.0000000), wk = 0.0027933 k( 187) = ( 0.4886364 0.4420115 -0.0000000), wk = 0.0027933 k( 188) = ( 0.5000000 0.4522909 -0.0000000), wk = 0.0027933 k( 189) = ( 0.5000000 0.4522909 -0.0000000), wk = 0.0027933 k( 190) = ( 0.4929659 0.4600670 0.0104855), wk = 0.0027933 k( 191) = ( 0.4859318 0.4678431 0.0209711), wk = 0.0027933 k( 192) = ( 0.4788976 0.4756192 0.0314566), wk = 0.0027933 k( 193) = ( 0.4718635 0.4833952 0.0419422), wk = 0.0027933 k( 194) = ( 0.4648294 0.4911714 0.0524277), wk = 0.0027933 k( 195) = ( 0.4577953 0.4989475 0.0629132), wk = 0.0027933 k( 196) = ( 0.4507612 0.5067236 0.0733988), wk = 0.0027933 k( 197) = ( 0.4437271 0.5144997 0.0838843), wk = 0.0027933 k( 198) = ( 0.4366929 0.5222758 0.0943699), wk = 0.0027933 k( 199) = ( 0.4296588 0.5300519 0.1048554), wk = 0.0027933 k( 200) = ( 0.4226247 0.5378280 0.1153410), wk = 0.0027933 k( 201) = ( 0.4155906 0.5456041 0.1258265), wk = 0.0027933 k( 202) = ( 0.4085565 0.5533802 0.1363120), wk = 0.0027933 k( 203) = ( 0.4015223 0.5611563 0.1467976), wk = 0.0027933 k( 204) = ( 0.3944882 0.5689324 0.1572831), wk = 0.0027933 k( 205) = ( 0.3874541 0.5767085 0.1677687), wk = 0.0027933 k( 206) = ( 0.3804200 0.5844846 0.1782542), wk = 0.0027933 k( 207) = ( 0.3733859 0.5922607 0.1887397), wk = 0.0027933 k( 208) = ( 0.3663517 0.6000368 0.1992253), wk = 0.0027933 k( 209) = ( 0.3593176 0.6078129 0.2097108), wk = 0.0027933 k( 210) = ( 0.3522835 0.6155890 0.2201964), wk = 0.0027933 k( 211) = ( 0.3522835 0.6155890 0.2201964), wk = 0.0027933 k( 212) = ( 0.3392360 0.6114011 0.2258434), wk = 0.0027933 k( 213) = ( 0.3261884 0.6072132 0.2314905), wk = 0.0027933 k( 214) = ( 0.3131409 0.6030253 0.2371376), wk = 0.0027933 k( 215) = ( 0.3000934 0.5988375 0.2427846), wk = 0.0027933 k( 216) = ( 0.2870458 0.5946496 0.2484317), wk = 0.0027933 k( 217) = ( 0.2739983 0.5904617 0.2540788), wk = 0.0027933 k( 218) = ( 0.2609508 0.5862738 0.2597258), wk = 0.0027933 k( 219) = ( 0.2479032 0.5820859 0.2653729), wk = 0.0027933 k( 220) = ( 0.2348557 0.5778981 0.2710200), wk = 0.0027933 k( 221) = ( 0.2218081 0.5737102 0.2766670), wk = 0.0027933 k( 222) = ( 0.2087606 0.5695223 0.2823141), wk = 0.0027933 k( 223) = ( 0.1957131 0.5653344 0.2879612), wk = 0.0027933 k( 224) = ( 0.1826655 0.5611466 0.2936082), wk = 0.0027933 k( 225) = ( 0.1696180 0.5569587 0.2992553), wk = 0.0027933 k( 226) = ( 0.1565704 0.5527708 0.3049024), wk = 0.0027933 k( 227) = ( 0.1435229 0.5485829 0.3105494), wk = 0.0027933 k( 228) = ( 0.1304754 0.5443950 0.3161965), wk = 0.0027933 k( 229) = ( 0.1174278 0.5402072 0.3218436), wk = 0.0027933 k( 230) = ( 0.1043803 0.5360193 0.3274907), wk = 0.0027933 k( 231) = ( 0.0913328 0.5318314 0.3331377), wk = 0.0027933 k( 232) = ( 0.0782852 0.5276435 0.3387848), wk = 0.0027933 k( 233) = ( 0.0652377 0.5234557 0.3444319), wk = 0.0027933 k( 234) = ( 0.0521901 0.5192678 0.3500789), wk = 0.0027933 k( 235) = ( 0.0391426 0.5150799 0.3557260), wk = 0.0027933 k( 236) = ( 0.0260951 0.5108920 0.3613731), wk = 0.0027933 k( 237) = ( 0.0130475 0.5067041 0.3670201), wk = 0.0027933 k( 238) = ( 0.0000000 0.5025163 0.3726672), wk = 0.0027933 k( 239) = ( 0.0000000 0.5025163 0.3726672), wk = 0.0027933 k( 240) = ( 0.0071429 0.4946199 0.3833148), wk = 0.0027933 k( 241) = ( 0.0142857 0.4867236 0.3939625), wk = 0.0027933 k( 242) = ( 0.0214286 0.4788273 0.4046101), wk = 0.0027933 k( 243) = ( 0.0285714 0.4709310 0.4152577), wk = 0.0027933 k( 244) = ( 0.0357143 0.4630347 0.4259054), wk = 0.0027933 k( 245) = ( 0.0428571 0.4551384 0.4365530), wk = 0.0027933 k( 246) = ( 0.0500000 0.4472421 0.4472006), wk = 0.0027933 k( 247) = ( 0.0571429 0.4393458 0.4578483), wk = 0.0027933 k( 248) = ( 0.0642857 0.4314495 0.4684959), wk = 0.0027933 k( 249) = ( 0.0714286 0.4235532 0.4791435), wk = 0.0027933 k( 250) = ( 0.0785714 0.4156569 0.4897912), wk = 0.0027933 k( 251) = ( 0.0857143 0.4077605 0.5004388), wk = 0.0027933 k( 252) = ( 0.0928571 0.3998642 0.5110864), wk = 0.0027933 k( 253) = ( 0.1000000 0.3919679 0.5217341), wk = 0.0027933 k( 254) = ( 0.1071429 0.3840716 0.5323817), wk = 0.0027933 k( 255) = ( 0.1142857 0.3761753 0.5430293), wk = 0.0027933 k( 256) = ( 0.1214286 0.3682790 0.5536770), wk = 0.0027933 k( 257) = ( 0.1285714 0.3603827 0.5643246), wk = 0.0027933 k( 258) = ( 0.1357143 0.3524864 0.5749723), wk = 0.0027933 k( 259) = ( 0.1428571 0.3445901 0.5856199), wk = 0.0027933 k( 260) = ( 0.1500000 0.3366938 0.5962675), wk = 0.0027933 k( 261) = ( 0.1571429 0.3287974 0.6069152), wk = 0.0027933 k( 262) = ( 0.1642857 0.3209011 0.6175628), wk = 0.0027933 k( 263) = ( 0.1714286 0.3130048 0.6282104), wk = 0.0027933 k( 264) = ( 0.1785714 0.3051085 0.6388581), wk = 0.0027933 k( 265) = ( 0.1857143 0.2972122 0.6495057), wk = 0.0027933 k( 266) = ( 0.1928571 0.2893159 0.6601533), wk = 0.0027933 k( 267) = ( 0.2000000 0.2814196 0.6708010), wk = 0.0027933 k( 268) = ( 0.2071429 0.2735233 0.6814486), wk = 0.0027933 k( 269) = ( 0.2142857 0.2656270 0.6920962), wk = 0.0027933 k( 270) = ( 0.2214286 0.2577307 0.7027439), wk = 0.0027933 k( 271) = ( 0.2285714 0.2498344 0.7133915), wk = 0.0027933 k( 272) = ( 0.2357143 0.2419380 0.7240391), wk = 0.0027933 k( 273) = ( 0.2428571 0.2340417 0.7346868), wk = 0.0027933 k( 274) = ( 0.2500000 0.2261454 0.7453344), wk = 0.0027933 k( 275) = ( 0.2500000 0.2261454 0.7453344), wk = 0.0027933 k( 276) = ( 0.2583333 0.2336836 0.7351697), wk = 0.0027933 k( 277) = ( 0.2666667 0.2412218 0.7250049), wk = 0.0027933 k( 278) = ( 0.2750000 0.2487600 0.7148402), wk = 0.0027933 k( 279) = ( 0.2833333 0.2562981 0.7046755), wk = 0.0027933 k( 280) = ( 0.2916667 0.2638363 0.6945108), wk = 0.0027933 k( 281) = ( 0.3000000 0.2713745 0.6843461), wk = 0.0027933 k( 282) = ( 0.3083333 0.2789127 0.6741813), wk = 0.0027933 k( 283) = ( 0.3166667 0.2864509 0.6640166), wk = 0.0027933 k( 284) = ( 0.3250000 0.2939891 0.6538519), wk = 0.0027933 k( 285) = ( 0.3333333 0.3015272 0.6436872), wk = 0.0027933 k( 286) = ( 0.3416667 0.3090654 0.6335225), wk = 0.0027933 k( 287) = ( 0.3500000 0.3166036 0.6233577), wk = 0.0027933 k( 288) = ( 0.3583333 0.3241418 0.6131930), wk = 0.0027933 k( 289) = ( 0.3666667 0.3316800 0.6030283), wk = 0.0027933 k( 290) = ( 0.3750000 0.3392181 0.5928636), wk = 0.0027933 k( 291) = ( 0.3833333 0.3467563 0.5826988), wk = 0.0027933 k( 292) = ( 0.3916667 0.3542945 0.5725341), wk = 0.0027933 k( 293) = ( 0.4000000 0.3618327 0.5623694), wk = 0.0027933 k( 294) = ( 0.4083333 0.3693709 0.5522047), wk = 0.0027933 k( 295) = ( 0.4166667 0.3769090 0.5420399), wk = 0.0027933 k( 296) = ( 0.4250000 0.3844472 0.5318752), wk = 0.0027933 k( 297) = ( 0.4333333 0.3919854 0.5217105), wk = 0.0027933 k( 298) = ( 0.4416667 0.3995236 0.5115458), wk = 0.0027933 k( 299) = ( 0.4500000 0.4070618 0.5013811), wk = 0.0027933 k( 300) = ( 0.4583333 0.4145999 0.4912163), wk = 0.0027933 k( 301) = ( 0.4666667 0.4221381 0.4810516), wk = 0.0027933 k( 302) = ( 0.4750000 0.4296763 0.4708869), wk = 0.0027933 k( 303) = ( 0.4833333 0.4372145 0.4607222), wk = 0.0027933 k( 304) = ( 0.4916667 0.4447527 0.4505575), wk = 0.0027933 k( 305) = ( 0.5000000 0.4522909 0.4403927), wk = 0.0027933 k( 306) = ( 0.5000000 0.4522909 0.4403927), wk = 0.0027933 k( 307) = ( 0.5000000 0.4522909 0.4252068), wk = 0.0027933 k( 308) = ( 0.5000000 0.4522909 0.4100208), wk = 0.0027933 k( 309) = ( 0.5000000 0.4522909 0.3948349), wk = 0.0027933 k( 310) = ( 0.5000000 0.4522909 0.3796489), wk = 0.0027933 k( 311) = ( 0.5000000 0.4522909 0.3644630), wk = 0.0027933 k( 312) = ( 0.5000000 0.4522909 0.3492770), wk = 0.0027933 k( 313) = ( 0.5000000 0.4522909 0.3340910), wk = 0.0027933 k( 314) = ( 0.5000000 0.4522909 0.3189051), wk = 0.0027933 k( 315) = ( 0.5000000 0.4522909 0.3037191), wk = 0.0027933 k( 316) = ( 0.5000000 0.4522909 0.2885332), wk = 0.0027933 k( 317) = ( 0.5000000 0.4522909 0.2733472), wk = 0.0027933 k( 318) = ( 0.5000000 0.4522909 0.2581612), wk = 0.0027933 k( 319) = ( 0.5000000 0.4522909 0.2429753), wk = 0.0027933 k( 320) = ( 0.5000000 0.4522909 0.2277893), wk = 0.0027933 k( 321) = ( 0.5000000 0.4522909 0.2126034), wk = 0.0027933 k( 322) = ( 0.5000000 0.4522909 0.1974174), wk = 0.0027933 k( 323) = ( 0.5000000 0.4522909 0.1822315), wk = 0.0027933 k( 324) = ( 0.5000000 0.4522909 0.1670455), wk = 0.0027933 k( 325) = ( 0.5000000 0.4522909 0.1518596), wk = 0.0027933 k( 326) = ( 0.5000000 0.4522909 0.1366736), wk = 0.0027933 k( 327) = ( 0.5000000 0.4522909 0.1214877), wk = 0.0027933 k( 328) = ( 0.5000000 0.4522909 0.1063017), wk = 0.0027933 k( 329) = ( 0.5000000 0.4522909 0.0911157), wk = 0.0027933 k( 330) = ( 0.5000000 0.4522909 0.0759298), wk = 0.0027933 k( 331) = ( 0.5000000 0.4522909 0.0607438), wk = 0.0027933 k( 332) = ( 0.5000000 0.4522909 0.0455579), wk = 0.0027933 k( 333) = ( 0.5000000 0.4522909 0.0303719), wk = 0.0027933 k( 334) = ( 0.5000000 0.4522909 0.0151859), wk = 0.0027933 k( 335) = ( 0.5000000 0.4522909 -0.0000000), wk = 0.0027933 k( 336) = ( 0.0000000 0.0000000 0.7453344), wk = 0.0027933 k( 337) = ( 0.0113636 0.0102793 0.7453344), wk = 0.0027933 k( 338) = ( 0.0227273 0.0205587 0.7453344), wk = 0.0027933 k( 339) = ( 0.0340909 0.0308380 0.7453344), wk = 0.0027933 k( 340) = ( 0.0454546 0.0411174 0.7453344), wk = 0.0027933 k( 341) = ( 0.0568182 0.0513967 0.7453344), wk = 0.0027933 k( 342) = ( 0.0681818 0.0616760 0.7453344), wk = 0.0027933 k( 343) = ( 0.0795455 0.0719554 0.7453344), wk = 0.0027933 k( 344) = ( 0.0909091 0.0822347 0.7453344), wk = 0.0027933 k( 345) = ( 0.1022727 0.0925140 0.7453344), wk = 0.0027933 k( 346) = ( 0.1136364 0.1027934 0.7453344), wk = 0.0027933 k( 347) = ( 0.1250000 0.1130727 0.7453344), wk = 0.0027933 k( 348) = ( 0.1363636 0.1233521 0.7453344), wk = 0.0027933 k( 349) = ( 0.1477273 0.1336314 0.7453344), wk = 0.0027933 k( 350) = ( 0.1590909 0.1439107 0.7453344), wk = 0.0027933 k( 351) = ( 0.1704546 0.1541901 0.7453344), wk = 0.0027933 k( 352) = ( 0.1818182 0.1644694 0.7453344), wk = 0.0027933 k( 353) = ( 0.1931818 0.1747487 0.7453344), wk = 0.0027933 k( 354) = ( 0.2045454 0.1850281 0.7453344), wk = 0.0027933 k( 355) = ( 0.2159091 0.1953074 0.7453344), wk = 0.0027933 k( 356) = ( 0.2272727 0.2055868 0.7453344), wk = 0.0027933 k( 357) = ( 0.2386364 0.2158661 0.7453344), wk = 0.0027933 k( 358) = ( 0.2500000 0.2261454 0.7453344), wk = 0.0027933 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 2) = ( 0.0000000 0.0000000 0.0102041), wk = 0.0027933 k( 3) = ( 0.0000000 0.0000000 0.0204082), wk = 0.0027933 k( 4) = ( 0.0000000 0.0000000 0.0306122), wk = 0.0027933 k( 5) = ( 0.0000000 0.0000000 0.0408163), wk = 0.0027933 k( 6) = ( 0.0000000 0.0000000 0.0510204), wk = 0.0027933 k( 7) = ( 0.0000000 0.0000000 0.0612245), wk = 0.0027933 k( 8) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0027933 k( 9) = ( 0.0000000 0.0000000 0.0816327), wk = 0.0027933 k( 10) = ( 0.0000000 0.0000000 0.0918367), wk = 0.0027933 k( 11) = ( 0.0000000 0.0000000 0.1020408), wk = 0.0027933 k( 12) = ( 0.0000000 0.0000000 0.1122449), wk = 0.0027933 k( 13) = ( 0.0000000 0.0000000 0.1224490), wk = 0.0027933 k( 14) = ( 0.0000000 0.0000000 0.1326531), wk = 0.0027933 k( 15) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0027933 k( 16) = ( 0.0000000 0.0000000 0.1530612), wk = 0.0027933 k( 17) = ( 0.0000000 0.0000000 0.1632653), wk = 0.0027933 k( 18) = ( 0.0000000 0.0000000 0.1734694), wk = 0.0027933 k( 19) = ( 0.0000000 0.0000000 0.1836735), wk = 0.0027933 k( 20) = ( 0.0000000 0.0000000 0.1938776), wk = 0.0027933 k( 21) = ( 0.0000000 0.0000000 0.2040816), wk = 0.0027933 k( 22) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0027933 k( 23) = ( 0.0000000 0.0000000 0.2244898), wk = 0.0027933 k( 24) = ( 0.0000000 0.0000000 0.2346939), wk = 0.0027933 k( 25) = ( 0.0000000 0.0000000 0.2448980), wk = 0.0027933 k( 26) = ( 0.0000000 0.0000000 0.2551020), wk = 0.0027933 k( 27) = ( 0.0000000 0.0000000 0.2653061), wk = 0.0027933 k( 28) = ( 0.0000000 0.0000000 0.2755102), wk = 0.0027933 k( 29) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0027933 k( 30) = ( 0.0000000 0.0000000 0.2959184), wk = 0.0027933 k( 31) = ( 0.0000000 0.0000000 0.3061224), wk = 0.0027933 k( 32) = ( 0.0000000 0.0000000 0.3163265), wk = 0.0027933 k( 33) = ( 0.0000000 0.0000000 0.3265306), wk = 0.0027933 k( 34) = ( 0.0000000 0.0000000 0.3367347), wk = 0.0027933 k( 35) = ( 0.0000000 0.0000000 0.3469388), wk = 0.0027933 k( 36) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0027933 k( 37) = ( 0.0000000 0.0000000 0.3673469), wk = 0.0027933 k( 38) = ( 0.0000000 0.0000000 0.3775510), wk = 0.0027933 k( 39) = ( 0.0000000 0.0000000 0.3877551), wk = 0.0027933 k( 40) = ( 0.0000000 0.0000000 0.3979592), wk = 0.0027933 k( 41) = ( 0.0000000 0.0000000 0.4081633), wk = 0.0027933 k( 42) = ( 0.0000000 0.0000000 0.4183674), wk = 0.0027933 k( 43) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0027933 k( 44) = ( 0.0000000 0.0000000 0.4387755), wk = 0.0027933 k( 45) = ( 0.0000000 0.0000000 0.4489796), wk = 0.0027933 k( 46) = ( 0.0000000 0.0000000 0.4591837), wk = 0.0027933 k( 47) = ( 0.0000000 0.0000000 0.4693878), wk = 0.0027933 k( 48) = ( 0.0000000 0.0000000 0.4795918), wk = 0.0027933 k( 49) = ( 0.0000000 0.0000000 0.4897959), wk = 0.0027933 k( 50) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 51) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 52) = ( -0.0102284 0.0102284 0.5000000), wk = 0.0027933 k( 53) = ( -0.0204567 0.0204567 0.5000000), wk = 0.0027933 k( 54) = ( -0.0306850 0.0306850 0.5000000), wk = 0.0027933 k( 55) = ( -0.0409134 0.0409134 0.5000000), wk = 0.0027933 k( 56) = ( -0.0511417 0.0511417 0.5000000), wk = 0.0027933 k( 57) = ( -0.0613701 0.0613701 0.5000000), wk = 0.0027933 k( 58) = ( -0.0715984 0.0715984 0.5000000), wk = 0.0027933 k( 59) = ( -0.0818268 0.0818268 0.5000000), wk = 0.0027933 k( 60) = ( -0.0920552 0.0920552 0.5000000), wk = 0.0027933 k( 61) = ( -0.1022835 0.1022835 0.5000000), wk = 0.0027933 k( 62) = ( -0.1125119 0.1125119 0.5000000), wk = 0.0027933 k( 63) = ( -0.1227402 0.1227402 0.5000000), wk = 0.0027933 k( 64) = ( -0.1329686 0.1329686 0.5000000), wk = 0.0027933 k( 65) = ( -0.1431969 0.1431969 0.5000000), wk = 0.0027933 k( 66) = ( -0.1534253 0.1534253 0.5000000), wk = 0.0027933 k( 67) = ( -0.1636536 0.1636536 0.5000000), wk = 0.0027933 k( 68) = ( -0.1738820 0.1738820 0.5000000), wk = 0.0027933 k( 69) = ( -0.1841103 0.1841103 0.5000000), wk = 0.0027933 k( 70) = ( -0.1943387 0.1943387 0.5000000), wk = 0.0027933 k( 71) = ( -0.2045670 0.2045670 0.5000000), wk = 0.0027933 k( 72) = ( -0.2045670 0.2045670 0.5000000), wk = 0.0027933 k( 73) = ( -0.2116011 0.2116011 0.4929659), wk = 0.0027933 k( 74) = ( -0.2186353 0.2186352 0.4859318), wk = 0.0027933 k( 75) = ( -0.2256694 0.2256694 0.4788976), wk = 0.0027933 k( 76) = ( -0.2327035 0.2327035 0.4718635), wk = 0.0027933 k( 77) = ( -0.2397376 0.2397376 0.4648294), wk = 0.0027933 k( 78) = ( -0.2467717 0.2467717 0.4577953), wk = 0.0027933 k( 79) = ( -0.2538058 0.2538058 0.4507612), wk = 0.0027933 k( 80) = ( -0.2608400 0.2608400 0.4437271), wk = 0.0027933 k( 81) = ( -0.2678741 0.2678741 0.4366929), wk = 0.0027933 k( 82) = ( -0.2749082 0.2749082 0.4296588), wk = 0.0027933 k( 83) = ( -0.2819423 0.2819423 0.4226247), wk = 0.0027933 k( 84) = ( -0.2889764 0.2889764 0.4155906), wk = 0.0027933 k( 85) = ( -0.2960106 0.2960106 0.4085565), wk = 0.0027933 k( 86) = ( -0.3030447 0.3030447 0.4015223), wk = 0.0027933 k( 87) = ( -0.3100788 0.3100788 0.3944882), wk = 0.0027933 k( 88) = ( -0.3171129 0.3171129 0.3874541), wk = 0.0027933 k( 89) = ( -0.3241470 0.3241470 0.3804200), wk = 0.0027933 k( 90) = ( -0.3311811 0.3311811 0.3733859), wk = 0.0027933 k( 91) = ( -0.3382153 0.3382153 0.3663517), wk = 0.0027933 k( 92) = ( -0.3452494 0.3452494 0.3593176), wk = 0.0027933 k( 93) = ( -0.3522835 0.3522835 0.3522835), wk = 0.0027933 k( 94) = ( -0.3522835 0.3522835 0.3522835), wk = 0.0027933 k( 95) = ( -0.3450940 0.3450940 0.3450941), wk = 0.0027933 k( 96) = ( -0.3379046 0.3379046 0.3379046), wk = 0.0027933 k( 97) = ( -0.3307151 0.3307151 0.3307151), wk = 0.0027933 k( 98) = ( -0.3235257 0.3235257 0.3235257), wk = 0.0027933 k( 99) = ( -0.3163362 0.3163362 0.3163362), wk = 0.0027933 k( 100) = ( -0.3091468 0.3091467 0.3091468), wk = 0.0027933 k( 101) = ( -0.3019573 0.3019573 0.3019573), wk = 0.0027933 k( 102) = ( -0.2947678 0.2947678 0.2947678), wk = 0.0027933 k( 103) = ( -0.2875784 0.2875784 0.2875784), wk = 0.0027933 k( 104) = ( -0.2803889 0.2803889 0.2803889), wk = 0.0027933 k( 105) = ( -0.2731995 0.2731994 0.2731995), wk = 0.0027933 k( 106) = ( -0.2660100 0.2660100 0.2660100), wk = 0.0027933 k( 107) = ( -0.2588205 0.2588205 0.2588205), wk = 0.0027933 k( 108) = ( -0.2516311 0.2516311 0.2516311), wk = 0.0027933 k( 109) = ( -0.2444416 0.2444416 0.2444416), wk = 0.0027933 k( 110) = ( -0.2372522 0.2372522 0.2372522), wk = 0.0027933 k( 111) = ( -0.2300627 0.2300627 0.2300627), wk = 0.0027933 k( 112) = ( -0.2228732 0.2228732 0.2228732), wk = 0.0027933 k( 113) = ( -0.2156838 0.2156838 0.2156838), wk = 0.0027933 k( 114) = ( -0.2084943 0.2084943 0.2084943), wk = 0.0027933 k( 115) = ( -0.2013049 0.2013049 0.2013049), wk = 0.0027933 k( 116) = ( -0.1941154 0.1941154 0.1941154), wk = 0.0027933 k( 117) = ( -0.1869259 0.1869259 0.1869259), wk = 0.0027933 k( 118) = ( -0.1797365 0.1797365 0.1797365), wk = 0.0027933 k( 119) = ( -0.1725470 0.1725470 0.1725470), wk = 0.0027933 k( 120) = ( -0.1653576 0.1653576 0.1653576), wk = 0.0027933 k( 121) = ( -0.1581681 0.1581681 0.1581681), wk = 0.0027933 k( 122) = ( -0.1509786 0.1509786 0.1509786), wk = 0.0027933 k( 123) = ( -0.1437892 0.1437892 0.1437892), wk = 0.0027933 k( 124) = ( -0.1365997 0.1365997 0.1365997), wk = 0.0027933 k( 125) = ( -0.1294103 0.1294103 0.1294103), wk = 0.0027933 k( 126) = ( -0.1222208 0.1222208 0.1222208), wk = 0.0027933 k( 127) = ( -0.1150314 0.1150313 0.1150314), wk = 0.0027933 k( 128) = ( -0.1078419 0.1078419 0.1078419), wk = 0.0027933 k( 129) = ( -0.1006524 0.1006524 0.1006524), wk = 0.0027933 k( 130) = ( -0.0934630 0.0934630 0.0934630), wk = 0.0027933 k( 131) = ( -0.0862735 0.0862735 0.0862735), wk = 0.0027933 k( 132) = ( -0.0790841 0.0790840 0.0790841), wk = 0.0027933 k( 133) = ( -0.0718946 0.0718946 0.0718946), wk = 0.0027933 k( 134) = ( -0.0647051 0.0647051 0.0647051), wk = 0.0027933 k( 135) = ( -0.0575157 0.0575157 0.0575157), wk = 0.0027933 k( 136) = ( -0.0503262 0.0503262 0.0503262), wk = 0.0027933 k( 137) = ( -0.0431368 0.0431368 0.0431368), wk = 0.0027933 k( 138) = ( -0.0359473 0.0359473 0.0359473), wk = 0.0027933 k( 139) = ( -0.0287578 0.0287578 0.0287578), wk = 0.0027933 k( 140) = ( -0.0215684 0.0215684 0.0215684), wk = 0.0027933 k( 141) = ( -0.0143789 0.0143789 0.0143789), wk = 0.0027933 k( 142) = ( -0.0071895 0.0071895 0.0071895), wk = 0.0027933 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 145) = ( 0.0113636 0.0113636 -0.0113636), wk = 0.0027933 k( 146) = ( 0.0227273 0.0227273 -0.0227273), wk = 0.0027933 k( 147) = ( 0.0340909 0.0340909 -0.0340909), wk = 0.0027933 k( 148) = ( 0.0454546 0.0454545 -0.0454545), wk = 0.0027933 k( 149) = ( 0.0568182 0.0568182 -0.0568182), wk = 0.0027933 k( 150) = ( 0.0681818 0.0681818 -0.0681818), wk = 0.0027933 k( 151) = ( 0.0795455 0.0795454 -0.0795455), wk = 0.0027933 k( 152) = ( 0.0909091 0.0909091 -0.0909091), wk = 0.0027933 k( 153) = ( 0.1022727 0.1022727 -0.1022727), wk = 0.0027933 k( 154) = ( 0.1136364 0.1136364 -0.1136364), wk = 0.0027933 k( 155) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0027933 k( 156) = ( 0.1363636 0.1363636 -0.1363636), wk = 0.0027933 k( 157) = ( 0.1477273 0.1477273 -0.1477273), wk = 0.0027933 k( 158) = ( 0.1590909 0.1590909 -0.1590909), wk = 0.0027933 k( 159) = ( 0.1704546 0.1704545 -0.1704546), wk = 0.0027933 k( 160) = ( 0.1818182 0.1818182 -0.1818182), wk = 0.0027933 k( 161) = ( 0.1931818 0.1931818 -0.1931818), wk = 0.0027933 k( 162) = ( 0.2045454 0.2045454 -0.2045454), wk = 0.0027933 k( 163) = ( 0.2159091 0.2159091 -0.2159091), wk = 0.0027933 k( 164) = ( 0.2272727 0.2272727 -0.2272727), wk = 0.0027933 k( 165) = ( 0.2386364 0.2386364 -0.2386364), wk = 0.0027933 k( 166) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0027933 k( 167) = ( 0.2613636 0.2613636 -0.2613636), wk = 0.0027933 k( 168) = ( 0.2727273 0.2727273 -0.2727273), wk = 0.0027933 k( 169) = ( 0.2840909 0.2840909 -0.2840909), wk = 0.0027933 k( 170) = ( 0.2954545 0.2954545 -0.2954545), wk = 0.0027933 k( 171) = ( 0.3068182 0.3068182 -0.3068182), wk = 0.0027933 k( 172) = ( 0.3181818 0.3181818 -0.3181818), wk = 0.0027933 k( 173) = ( 0.3295455 0.3295454 -0.3295455), wk = 0.0027933 k( 174) = ( 0.3409091 0.3409091 -0.3409091), wk = 0.0027933 k( 175) = ( 0.3522727 0.3522727 -0.3522727), wk = 0.0027933 k( 176) = ( 0.3636364 0.3636364 -0.3636364), wk = 0.0027933 k( 177) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0027933 k( 178) = ( 0.3863636 0.3863636 -0.3863636), wk = 0.0027933 k( 179) = ( 0.3977273 0.3977273 -0.3977273), wk = 0.0027933 k( 180) = ( 0.4090909 0.4090909 -0.4090909), wk = 0.0027933 k( 181) = ( 0.4204545 0.4204545 -0.4204545), wk = 0.0027933 k( 182) = ( 0.4318182 0.4318182 -0.4318182), wk = 0.0027933 k( 183) = ( 0.4431818 0.4431818 -0.4431818), wk = 0.0027933 k( 184) = ( 0.4545455 0.4545455 -0.4545455), wk = 0.0027933 k( 185) = ( 0.4659091 0.4659091 -0.4659091), wk = 0.0027933 k( 186) = ( 0.4772727 0.4772727 -0.4772727), wk = 0.0027933 k( 187) = ( 0.4886364 0.4886364 -0.4886364), wk = 0.0027933 k( 188) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027933 k( 189) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027933 k( 190) = ( 0.4929659 0.5070341 -0.4929659), wk = 0.0027933 k( 191) = ( 0.4859318 0.5140682 -0.4859318), wk = 0.0027933 k( 192) = ( 0.4788976 0.5211024 -0.4788976), wk = 0.0027933 k( 193) = ( 0.4718635 0.5281365 -0.4718635), wk = 0.0027933 k( 194) = ( 0.4648294 0.5351706 -0.4648294), wk = 0.0027933 k( 195) = ( 0.4577953 0.5422047 -0.4577953), wk = 0.0027933 k( 196) = ( 0.4507612 0.5492388 -0.4507612), wk = 0.0027933 k( 197) = ( 0.4437271 0.5562729 -0.4437270), wk = 0.0027933 k( 198) = ( 0.4366929 0.5633071 -0.4366929), wk = 0.0027933 k( 199) = ( 0.4296588 0.5703412 -0.4296588), wk = 0.0027933 k( 200) = ( 0.4226247 0.5773753 -0.4226247), wk = 0.0027933 k( 201) = ( 0.4155906 0.5844094 -0.4155906), wk = 0.0027933 k( 202) = ( 0.4085565 0.5914435 -0.4085565), wk = 0.0027933 k( 203) = ( 0.4015223 0.5984777 -0.4015223), wk = 0.0027933 k( 204) = ( 0.3944882 0.6055118 -0.3944882), wk = 0.0027933 k( 205) = ( 0.3874541 0.6125459 -0.3874541), wk = 0.0027933 k( 206) = ( 0.3804200 0.6195800 -0.3804200), wk = 0.0027933 k( 207) = ( 0.3733859 0.6266141 -0.3733859), wk = 0.0027933 k( 208) = ( 0.3663517 0.6336483 -0.3663517), wk = 0.0027933 k( 209) = ( 0.3593176 0.6406824 -0.3593176), wk = 0.0027933 k( 210) = ( 0.3522835 0.6477165 -0.3522835), wk = 0.0027933 k( 211) = ( 0.3522835 0.6477165 -0.3522835), wk = 0.0027933 k( 212) = ( 0.3392360 0.6422455 -0.3392360), wk = 0.0027933 k( 213) = ( 0.3261884 0.6367745 -0.3261884), wk = 0.0027933 k( 214) = ( 0.3131409 0.6313036 -0.3131409), wk = 0.0027933 k( 215) = ( 0.3000934 0.6258326 -0.3000934), wk = 0.0027933 k( 216) = ( 0.2870458 0.6203616 -0.2870458), wk = 0.0027933 k( 217) = ( 0.2739983 0.6148906 -0.2739983), wk = 0.0027933 k( 218) = ( 0.2609508 0.6094196 -0.2609508), wk = 0.0027933 k( 219) = ( 0.2479032 0.6039486 -0.2479032), wk = 0.0027933 k( 220) = ( 0.2348557 0.5984777 -0.2348557), wk = 0.0027933 k( 221) = ( 0.2218081 0.5930067 -0.2218081), wk = 0.0027933 k( 222) = ( 0.2087606 0.5875357 -0.2087606), wk = 0.0027933 k( 223) = ( 0.1957131 0.5820647 -0.1957131), wk = 0.0027933 k( 224) = ( 0.1826655 0.5765937 -0.1826655), wk = 0.0027933 k( 225) = ( 0.1696180 0.5711228 -0.1696180), wk = 0.0027933 k( 226) = ( 0.1565704 0.5656518 -0.1565704), wk = 0.0027933 k( 227) = ( 0.1435229 0.5601808 -0.1435229), wk = 0.0027933 k( 228) = ( 0.1304754 0.5547098 -0.1304754), wk = 0.0027933 k( 229) = ( 0.1174278 0.5492388 -0.1174278), wk = 0.0027933 k( 230) = ( 0.1043803 0.5437678 -0.1043803), wk = 0.0027933 k( 231) = ( 0.0913328 0.5382969 -0.0913328), wk = 0.0027933 k( 232) = ( 0.0782852 0.5328259 -0.0782852), wk = 0.0027933 k( 233) = ( 0.0652377 0.5273549 -0.0652377), wk = 0.0027933 k( 234) = ( 0.0521901 0.5218839 -0.0521901), wk = 0.0027933 k( 235) = ( 0.0391426 0.5164129 -0.0391426), wk = 0.0027933 k( 236) = ( 0.0260951 0.5109420 -0.0260951), wk = 0.0027933 k( 237) = ( 0.0130475 0.5054710 -0.0130475), wk = 0.0027933 k( 238) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027933 k( 239) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027933 k( 240) = ( 0.0071429 0.4928571 0.0071429), wk = 0.0027933 k( 241) = ( 0.0142857 0.4857143 0.0142857), wk = 0.0027933 k( 242) = ( 0.0214286 0.4785714 0.0214286), wk = 0.0027933 k( 243) = ( 0.0285714 0.4714286 0.0285714), wk = 0.0027933 k( 244) = ( 0.0357143 0.4642857 0.0357143), wk = 0.0027933 k( 245) = ( 0.0428571 0.4571429 0.0428571), wk = 0.0027933 k( 246) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0027933 k( 247) = ( 0.0571429 0.4428571 0.0571429), wk = 0.0027933 k( 248) = ( 0.0642857 0.4357143 0.0642857), wk = 0.0027933 k( 249) = ( 0.0714286 0.4285714 0.0714286), wk = 0.0027933 k( 250) = ( 0.0785714 0.4214286 0.0785714), wk = 0.0027933 k( 251) = ( 0.0857143 0.4142857 0.0857143), wk = 0.0027933 k( 252) = ( 0.0928571 0.4071429 0.0928571), wk = 0.0027933 k( 253) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0027933 k( 254) = ( 0.1071429 0.3928571 0.1071429), wk = 0.0027933 k( 255) = ( 0.1142857 0.3857143 0.1142857), wk = 0.0027933 k( 256) = ( 0.1214286 0.3785714 0.1214286), wk = 0.0027933 k( 257) = ( 0.1285714 0.3714286 0.1285714), wk = 0.0027933 k( 258) = ( 0.1357143 0.3642857 0.1357143), wk = 0.0027933 k( 259) = ( 0.1428571 0.3571429 0.1428571), wk = 0.0027933 k( 260) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0027933 k( 261) = ( 0.1571429 0.3428571 0.1571429), wk = 0.0027933 k( 262) = ( 0.1642857 0.3357143 0.1642857), wk = 0.0027933 k( 263) = ( 0.1714286 0.3285714 0.1714286), wk = 0.0027933 k( 264) = ( 0.1785714 0.3214286 0.1785714), wk = 0.0027933 k( 265) = ( 0.1857143 0.3142857 0.1857143), wk = 0.0027933 k( 266) = ( 0.1928571 0.3071429 0.1928571), wk = 0.0027933 k( 267) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0027933 k( 268) = ( 0.2071429 0.2928571 0.2071429), wk = 0.0027933 k( 269) = ( 0.2142857 0.2857143 0.2142857), wk = 0.0027933 k( 270) = ( 0.2214286 0.2785714 0.2214286), wk = 0.0027933 k( 271) = ( 0.2285714 0.2714286 0.2285714), wk = 0.0027933 k( 272) = ( 0.2357143 0.2642857 0.2357143), wk = 0.0027933 k( 273) = ( 0.2428571 0.2571429 0.2428571), wk = 0.0027933 k( 274) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027933 k( 275) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027933 k( 276) = ( 0.2583333 0.2583333 0.2348478), wk = 0.0027933 k( 277) = ( 0.2666667 0.2666667 0.2196955), wk = 0.0027933 k( 278) = ( 0.2750000 0.2750000 0.2045433), wk = 0.0027933 k( 279) = ( 0.2833333 0.2833333 0.1893911), wk = 0.0027933 k( 280) = ( 0.2916667 0.2916667 0.1742388), wk = 0.0027933 k( 281) = ( 0.3000000 0.3000000 0.1590866), wk = 0.0027933 k( 282) = ( 0.3083333 0.3083333 0.1439344), wk = 0.0027933 k( 283) = ( 0.3166667 0.3166667 0.1287821), wk = 0.0027933 k( 284) = ( 0.3250000 0.3250000 0.1136299), wk = 0.0027933 k( 285) = ( 0.3333333 0.3333333 0.0984777), wk = 0.0027933 k( 286) = ( 0.3416667 0.3416667 0.0833254), wk = 0.0027933 k( 287) = ( 0.3500000 0.3500000 0.0681732), wk = 0.0027933 k( 288) = ( 0.3583333 0.3583333 0.0530210), wk = 0.0027933 k( 289) = ( 0.3666667 0.3666667 0.0378687), wk = 0.0027933 k( 290) = ( 0.3750000 0.3750000 0.0227165), wk = 0.0027933 k( 291) = ( 0.3833333 0.3833333 0.0075643), wk = 0.0027933 k( 292) = ( 0.3916667 0.3916667 -0.0075880), wk = 0.0027933 k( 293) = ( 0.4000000 0.4000000 -0.0227402), wk = 0.0027933 k( 294) = ( 0.4083333 0.4083333 -0.0378924), wk = 0.0027933 k( 295) = ( 0.4166667 0.4166667 -0.0530447), wk = 0.0027933 k( 296) = ( 0.4250000 0.4250000 -0.0681969), wk = 0.0027933 k( 297) = ( 0.4333333 0.4333333 -0.0833491), wk = 0.0027933 k( 298) = ( 0.4416667 0.4416667 -0.0985014), wk = 0.0027933 k( 299) = ( 0.4500000 0.4500000 -0.1136536), wk = 0.0027933 k( 300) = ( 0.4583333 0.4583333 -0.1288058), wk = 0.0027933 k( 301) = ( 0.4666667 0.4666667 -0.1439581), wk = 0.0027933 k( 302) = ( 0.4750000 0.4750000 -0.1591103), wk = 0.0027933 k( 303) = ( 0.4833333 0.4833333 -0.1742626), wk = 0.0027933 k( 304) = ( 0.4916667 0.4916667 -0.1894148), wk = 0.0027933 k( 305) = ( 0.5000000 0.5000000 -0.2045670), wk = 0.0027933 k( 306) = ( 0.5000000 0.5000000 -0.2045670), wk = 0.0027933 k( 307) = ( 0.5000000 0.5000000 -0.2147544), wk = 0.0027933 k( 308) = ( 0.5000000 0.5000000 -0.2249417), wk = 0.0027933 k( 309) = ( 0.5000000 0.5000000 -0.2351290), wk = 0.0027933 k( 310) = ( 0.5000000 0.5000000 -0.2453164), wk = 0.0027933 k( 311) = ( 0.5000000 0.5000000 -0.2555037), wk = 0.0027933 k( 312) = ( 0.5000000 0.5000000 -0.2656911), wk = 0.0027933 k( 313) = ( 0.5000000 0.5000000 -0.2758784), wk = 0.0027933 k( 314) = ( 0.5000000 0.5000000 -0.2860658), wk = 0.0027933 k( 315) = ( 0.5000000 0.5000000 -0.2962531), wk = 0.0027933 k( 316) = ( 0.5000000 0.5000000 -0.3064405), wk = 0.0027933 k( 317) = ( 0.5000000 0.5000000 -0.3166278), wk = 0.0027933 k( 318) = ( 0.5000000 0.5000000 -0.3268151), wk = 0.0027933 k( 319) = ( 0.5000000 0.5000000 -0.3370025), wk = 0.0027933 k( 320) = ( 0.5000000 0.5000000 -0.3471898), wk = 0.0027933 k( 321) = ( 0.5000000 0.5000000 -0.3573772), wk = 0.0027933 k( 322) = ( 0.5000000 0.5000000 -0.3675645), wk = 0.0027933 k( 323) = ( 0.5000000 0.5000000 -0.3777519), wk = 0.0027933 k( 324) = ( 0.5000000 0.5000000 -0.3879392), wk = 0.0027933 k( 325) = ( 0.5000000 0.5000000 -0.3981266), wk = 0.0027933 k( 326) = ( 0.5000000 0.5000000 -0.4083139), wk = 0.0027933 k( 327) = ( 0.5000000 0.5000000 -0.4185012), wk = 0.0027933 k( 328) = ( 0.5000000 0.5000000 -0.4286886), wk = 0.0027933 k( 329) = ( 0.5000000 0.5000000 -0.4388759), wk = 0.0027933 k( 330) = ( 0.5000000 0.5000000 -0.4490633), wk = 0.0027933 k( 331) = ( 0.5000000 0.5000000 -0.4592506), wk = 0.0027933 k( 332) = ( 0.5000000 0.5000000 -0.4694380), wk = 0.0027933 k( 333) = ( 0.5000000 0.5000000 -0.4796253), wk = 0.0027933 k( 334) = ( 0.5000000 0.5000000 -0.4898127), wk = 0.0027933 k( 335) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027933 k( 336) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 337) = ( 0.0113636 0.0113636 0.4886364), wk = 0.0027933 k( 338) = ( 0.0227273 0.0227273 0.4772727), wk = 0.0027933 k( 339) = ( 0.0340909 0.0340909 0.4659091), wk = 0.0027933 k( 340) = ( 0.0454546 0.0454545 0.4545455), wk = 0.0027933 k( 341) = ( 0.0568182 0.0568182 0.4431818), wk = 0.0027933 k( 342) = ( 0.0681818 0.0681818 0.4318182), wk = 0.0027933 k( 343) = ( 0.0795455 0.0795454 0.4204545), wk = 0.0027933 k( 344) = ( 0.0909091 0.0909091 0.4090909), wk = 0.0027933 k( 345) = ( 0.1022727 0.1022727 0.3977273), wk = 0.0027933 k( 346) = ( 0.1136364 0.1136364 0.3863636), wk = 0.0027933 k( 347) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0027933 k( 348) = ( 0.1363636 0.1363636 0.3636364), wk = 0.0027933 k( 349) = ( 0.1477273 0.1477273 0.3522727), wk = 0.0027933 k( 350) = ( 0.1590909 0.1590909 0.3409091), wk = 0.0027933 k( 351) = ( 0.1704546 0.1704545 0.3295455), wk = 0.0027933 k( 352) = ( 0.1818182 0.1818182 0.3181818), wk = 0.0027933 k( 353) = ( 0.1931818 0.1931818 0.3068182), wk = 0.0027933 k( 354) = ( 0.2045454 0.2045454 0.2954545), wk = 0.0027933 k( 355) = ( 0.2159091 0.2159091 0.2840909), wk = 0.0027933 k( 356) = ( 0.2272727 0.2272727 0.2727273), wk = 0.0027933 k( 357) = ( 0.2386364 0.2386364 0.2613636), wk = 0.0027933 k( 358) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027933 Dense grid: 70699 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.26 Mb ( 390, 44) NL pseudopotentials 0.45 Mb ( 195, 152) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1475) G-vector shells 0.01 Mb ( 679) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.05 Mb ( 390, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.20 Mb ( 152, 2, 44) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./LiPN2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.2 secs Computing kpt #: 2 total cpu time spent up to now is 44.8 secs Computing kpt #: 3 total cpu time spent up to now is 47.4 secs Computing kpt #: 4 total cpu time spent up to now is 50.0 secs Computing kpt #: 5 total cpu time spent up to now is 52.3 secs Computing kpt #: 6 total cpu time spent up to now is 54.7 secs Computing kpt #: 7 total cpu time spent up to now is 57.0 secs Computing kpt #: 8 total cpu time spent up to now is 59.3 secs Computing kpt #: 9 total cpu time spent up to now is 61.6 secs Computing kpt #: 10 total cpu time spent up to now is 63.8 secs Computing kpt #: 11 total cpu time spent up to now is 66.7 secs Computing kpt #: 12 total cpu time spent up to now is 70.6 secs Computing kpt #: 13 total cpu time spent up to now is 73.4 secs Computing kpt #: 14 total cpu time spent up to now is 75.6 secs Computing kpt #: 15 total cpu time spent up to now is 77.8 secs Computing kpt #: 16 total cpu time spent up to now is 80.2 secs Computing kpt #: 17 total cpu time spent up to now is 82.4 secs Computing kpt #: 18 total cpu time spent up to now is 84.6 secs Computing kpt #: 19 total cpu time spent up to now is 86.8 secs Computing kpt #: 20 total cpu time spent up to now is 89.1 secs Computing kpt #: 21 total cpu time spent up to now is 91.5 secs Computing kpt #: 22 total cpu time spent up to now is 93.7 secs Computing kpt #: 23 total cpu time spent up to now is 96.0 secs Computing kpt #: 24 total cpu time spent up to now is 98.3 secs Computing kpt #: 25 total cpu time spent up to now is 100.6 secs Computing kpt #: 26 total cpu time spent up to now is 102.9 secs Computing kpt #: 27 total cpu time spent up to now is 105.1 secs Computing kpt #: 28 total cpu time spent up to now is 107.4 secs Computing kpt 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spent up to now is 146.1 secs Computing kpt #: 45 total cpu time spent up to now is 148.6 secs Computing kpt #: 46 total cpu time spent up to now is 151.0 secs Computing kpt #: 47 total cpu time spent up to now is 153.4 secs Computing kpt #: 48 total cpu time spent up to now is 155.9 secs Computing kpt #: 49 total cpu time spent up to now is 158.2 secs Computing kpt #: 50 total cpu time spent up to now is 160.6 secs Computing kpt #: 51 total cpu time spent up to now is 163.0 secs Computing kpt #: 52 total cpu time spent up to now is 165.3 secs Computing kpt #: 53 total cpu time spent up to now is 167.8 secs Computing kpt #: 54 total cpu time spent up to now is 170.1 secs Computing kpt #: 55 total cpu time spent up to now is 172.5 secs Computing kpt #: 56 total cpu time spent up to now is 174.8 secs Computing kpt #: 57 total cpu time spent up to now is 177.0 secs Computing kpt #: 58 total cpu time spent up to now is 179.3 secs Computing kpt #: 59 total cpu time spent up to now is 181.6 secs Computing kpt #: 60 total cpu time spent up to now is 183.9 secs Computing kpt #: 61 total cpu time spent up to now is 186.2 secs Computing kpt #: 62 total cpu time spent up to now is 188.6 secs Computing kpt #: 63 total cpu time spent up to now is 191.1 secs Computing kpt #: 64 total cpu time spent up to now is 193.4 secs Computing kpt #: 65 total cpu time spent up to now is 195.7 secs Computing kpt #: 66 total cpu time spent up to now is 198.0 secs Computing kpt #: 67 total cpu time spent up to now is 200.3 secs Computing kpt #: 68 total cpu time spent up to now is 202.7 secs Computing kpt #: 69 total cpu time spent up to now is 205.1 secs Computing kpt #: 70 total cpu time spent up to now is 207.5 secs Computing kpt #: 71 total cpu time spent up to now is 209.9 secs Computing kpt #: 72 total cpu time spent up to now is 212.2 secs Computing kpt #: 73 total cpu time spent up to now is 214.6 secs Computing kpt #: 74 total cpu time spent up to now is 217.0 secs Computing kpt #: 75 total cpu time spent up to now is 219.4 secs Computing kpt #: 76 total cpu time spent up to now is 221.8 secs Computing kpt #: 77 total cpu time spent up to now is 224.3 secs Computing kpt #: 78 total cpu time spent up to now is 226.8 secs Computing kpt #: 79 total cpu time spent up to now is 229.4 secs Computing kpt #: 80 total cpu time spent up to now is 231.8 secs Computing kpt #: 81 total cpu time spent up to now is 234.3 secs Computing kpt #: 82 total cpu time spent up to now is 236.8 secs Computing kpt #: 83 total cpu time spent up to now is 239.3 secs Computing kpt #: 84 total cpu time spent up to now is 241.8 secs Computing kpt #: 85 total cpu time spent up to now is 244.3 secs Computing kpt #: 86 total cpu time spent up to now is 246.8 secs Computing kpt #: 87 total cpu time spent up to now is 249.3 secs Computing kpt #: 88 total cpu time spent up to now is 251.8 secs Computing kpt #: 89 total cpu time spent up to now is 254.3 secs Computing kpt #: 90 total cpu time spent up to now is 256.9 secs Computing kpt #: 91 total cpu time spent up to now is 259.4 secs Computing kpt #: 92 total cpu time spent up to now is 261.8 secs Computing kpt #: 93 total cpu time spent up to now is 264.2 secs Computing kpt #: 94 total cpu time spent up to now is 266.6 secs Computing kpt #: 95 total cpu time spent up to now is 269.4 secs Computing kpt #: 96 total cpu time spent up to now is 272.0 secs Computing kpt #: 97 total cpu time spent up to now is 274.6 secs Computing kpt #: 98 total cpu time spent up to now is 277.3 secs Computing kpt #: 99 total cpu time spent up to now is 280.4 secs Computing kpt #: 100 total cpu time spent up to now is 283.4 secs Computing kpt #: 101 total cpu time spent up to now is 286.6 secs Computing kpt #: 102 total cpu time spent up to now is 289.2 secs Computing kpt #: 103 total cpu time spent up to now is 291.9 secs Computing kpt #: 104 total cpu time spent up to now is 294.4 secs Computing kpt #: 105 total cpu time spent up to now is 296.8 secs Computing kpt #: 106 total cpu time spent up to now is 299.3 secs Computing kpt #: 107 total cpu time spent up to now is 301.9 secs Computing kpt #: 108 total cpu time spent up to now is 304.3 secs Computing kpt #: 109 total cpu time spent up to now is 306.7 secs Computing kpt #: 110 total cpu time spent up to now is 309.3 secs Computing kpt #: 111 total cpu time spent up to now is 311.9 secs Computing kpt #: 112 total cpu time spent up to now is 314.4 secs Computing kpt #: 113 total cpu time spent up to now is 316.9 secs Computing kpt #: 114 total cpu time spent up to now is 319.4 secs Computing kpt #: 115 total cpu time spent up to now is 321.8 secs Computing kpt #: 116 total cpu time spent up to now is 324.3 secs Computing kpt #: 117 total cpu time spent up to now is 326.6 secs Computing kpt #: 118 total cpu time spent up to now is 329.1 secs Computing kpt #: 119 total cpu time spent up to now is 331.5 secs Computing kpt #: 120 total cpu time spent up to now is 333.8 secs Computing kpt #: 121 total cpu time spent up to now is 336.2 secs Computing kpt #: 122 total cpu time spent up to now is 338.5 secs Computing kpt #: 123 total cpu time spent up to now is 340.9 secs Computing kpt #: 124 total cpu time spent up to now is 343.2 secs Computing kpt #: 125 total cpu time spent up to now is 345.5 secs Computing kpt #: 126 total cpu time spent up to now is 347.9 secs Computing kpt #: 127 total cpu time spent up to now is 350.4 secs Computing kpt #: 128 total cpu time spent up to now is 352.7 secs Computing kpt #: 129 total cpu time spent up to now is 355.2 secs Computing kpt #: 130 total cpu time spent up to now is 357.7 secs Computing kpt #: 131 total cpu time spent up to now is 360.2 secs Computing kpt #: 132 total cpu time spent up to now is 362.8 secs Computing kpt #: 133 total cpu time spent up to now is 366.2 secs Computing kpt #: 134 total cpu time spent up to now is 370.5 secs Computing kpt #: 135 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 375.5 secs Computing kpt #: 136 total cpu time spent up to now is 378.4 secs Computing kpt #: 137 total cpu time spent up to now is 381.2 secs Computing kpt #: 138 total cpu time spent up to now is 383.9 secs Computing kpt #: 139 total cpu time spent up to now is 386.5 secs Computing kpt #: 140 total cpu time spent up to now is 389.1 secs Computing kpt #: 141 total cpu time spent up to now is 391.6 secs Computing kpt #: 142 total cpu time spent up to now is 394.3 secs Computing kpt #: 143 total cpu time spent up to now is 396.8 secs Computing kpt #: 144 total cpu time spent up to now is 399.3 secs Computing kpt #: 145 total cpu time spent up to now is 401.7 secs Computing kpt #: 146 total cpu time spent up to now is 404.1 secs Computing kpt #: 147 total cpu time spent up to now is 406.4 secs Computing kpt #: 148 total cpu time spent up to now is 408.7 secs Computing kpt #: 149 total cpu time spent up to now is 411.0 secs Computing kpt #: 150 total cpu time spent up to now is 413.3 secs Computing kpt #: 151 total cpu time spent up to now is 415.6 secs Computing kpt #: 152 total cpu time spent up to now is 417.9 secs Computing kpt #: 153 total cpu time spent up to now is 420.2 secs Computing kpt #: 154 total cpu time spent up to now is 422.4 secs Computing kpt #: 155 total cpu time spent up to now is 424.6 secs Computing kpt #: 156 total cpu time spent up to now is 426.8 secs Computing kpt #: 157 total cpu time spent up to now is 428.9 secs Computing kpt #: 158 total cpu time spent up to now is 431.0 secs Computing kpt #: 159 total cpu time spent up to now is 433.0 secs Computing kpt #: 160 total cpu time spent up to now is 435.0 secs Computing kpt #: 161 total cpu time spent up to now is 437.1 secs Computing kpt #: 162 total cpu time spent up to now is 439.1 secs Computing kpt #: 163 total cpu time spent up to now is 441.3 secs Computing kpt #: 164 total cpu time spent up to now is 443.6 secs Computing kpt #: 165 total cpu time spent up to now is 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Computing kpt #: 181 total cpu time spent up to now is 482.1 secs Computing kpt #: 182 total cpu time spent up to now is 484.4 secs Computing kpt #: 183 total cpu time spent up to now is 486.6 secs Computing kpt #: 184 total cpu time spent up to now is 488.9 secs Computing kpt #: 185 total cpu time spent up to now is 491.1 secs Computing kpt #: 186 total cpu time spent up to now is 493.3 secs Computing kpt #: 187 total cpu time spent up to now is 495.5 secs Computing kpt #: 188 total cpu time spent up to now is 497.5 secs Computing kpt #: 189 total cpu time spent up to now is 499.6 secs Computing kpt #: 190 total cpu time spent up to now is 501.6 secs Computing kpt #: 191 total cpu time spent up to now is 503.6 secs Computing kpt #: 192 total cpu time spent up to now is 505.6 secs Computing kpt #: 193 total cpu time spent up to now is 507.6 secs Computing kpt #: 194 total cpu time spent up to now is 509.7 secs Computing kpt #: 195 total cpu time spent up to now is 511.7 secs Computing kpt #: 196 total cpu time spent up to now is 514.0 secs Computing kpt #: 197 total cpu time spent up to now is 516.3 secs Computing kpt #: 198 total cpu time spent up to now is 518.5 secs Computing kpt #: 199 total cpu time spent up to now is 520.8 secs Computing kpt #: 200 total cpu time spent up to now is 523.1 secs Computing kpt #: 201 total cpu time spent up to now is 525.3 secs Computing kpt #: 202 total cpu time spent up to now is 527.6 secs Computing kpt #: 203 total cpu time spent up to now is 529.8 secs Computing kpt #: 204 total cpu time spent up to now is 532.2 secs Computing kpt #: 205 total cpu time spent up to now is 534.6 secs Computing kpt #: 206 total cpu time spent up to now is 536.8 secs Computing kpt #: 207 total cpu time spent up to now is 539.2 secs Computing kpt #: 208 total cpu time spent up to now is 541.6 secs Computing kpt #: 209 total cpu time spent up to now is 543.9 secs Computing kpt #: 210 total cpu time spent up to now is 546.4 secs Computing kpt #: 211 total cpu time spent up to now is 548.8 secs Computing kpt #: 212 total cpu time spent up to now is 551.4 secs Computing kpt #: 213 total cpu time spent up to now is 553.9 secs Computing kpt #: 214 total cpu time spent up to now is 556.4 secs Computing kpt #: 215 total cpu time spent up to now is 558.9 secs Computing kpt #: 216 total cpu time spent up to now is 561.3 secs Computing kpt #: 217 total cpu time spent up to now is 563.8 secs Computing kpt #: 218 total cpu time spent up to now is 566.2 secs Computing kpt #: 219 total cpu time spent up to now is 568.9 secs Computing kpt #: 220 total cpu time spent up to now is 571.3 secs Computing kpt #: 221 total cpu time spent up to now is 573.6 secs Computing kpt #: 222 total cpu time spent up to now is 575.9 secs Computing kpt #: 223 total cpu time spent up to now is 578.2 secs Computing kpt #: 224 total cpu time spent up to now is 580.6 secs Computing kpt #: 225 total cpu time spent up to now is 582.9 secs Computing kpt #: 226 total cpu time spent up to now is 585.3 secs Computing kpt #: 227 total cpu time spent up to now is 587.6 secs Computing kpt #: 228 total cpu time spent up to now is 589.9 secs Computing kpt #: 229 total cpu time spent up to now is 592.4 secs Computing kpt #: 230 total cpu time spent up to now is 594.8 secs Computing kpt #: 231 total cpu time spent up to now is 597.2 secs Computing kpt #: 232 total cpu time spent up to now is 599.6 secs Computing kpt #: 233 total cpu time spent up to now is 602.1 secs Computing kpt #: 234 total cpu time spent up to now is 604.6 secs Computing kpt #: 235 total cpu time spent up to now is 607.0 secs Computing kpt #: 236 total cpu time spent up to now is 609.4 secs Computing kpt #: 237 total cpu time spent up to now is 611.9 secs Computing kpt #: 238 total cpu time spent up to now is 614.3 secs Computing kpt #: 239 total cpu time spent up to now is 616.7 secs Computing kpt #: 240 total cpu time spent up to now is 619.2 secs Computing kpt #: 241 total cpu time spent up to now is 621.7 secs Computing kpt #: 242 total cpu time spent up to now is 624.1 secs Computing kpt #: 243 total cpu time spent up to now is 626.5 secs Computing kpt #: 244 total cpu time spent up to now is 629.0 secs Computing kpt #: 245 total cpu time spent up to now is 631.4 secs Computing kpt #: 246 total cpu time spent up to now is 633.8 secs Computing kpt #: 247 total cpu time spent up to now is 636.2 secs Computing kpt #: 248 total cpu time spent up to now is 638.5 secs Computing kpt #: 249 total cpu time spent up to now is 640.9 secs Computing kpt #: 250 total cpu time spent up to now is 643.3 secs Computing kpt #: 251 total cpu time spent up to now is 645.6 secs Computing kpt #: 252 total cpu time spent up to now is 647.9 secs Computing kpt #: 253 total cpu time spent up to now is 650.2 secs Computing kpt #: 254 total cpu time spent up to now is 652.6 secs Computing kpt #: 255 total cpu time spent up to now is 655.0 secs Computing kpt #: 256 total cpu time spent up to now is 657.3 secs Computing kpt #: 257 total cpu time spent up to now is 659.6 secs Computing kpt #: 258 total cpu time spent up to now is 661.9 secs Computing kpt #: 259 total cpu time spent up to now is 664.1 secs Computing kpt #: 260 total cpu time spent up to now is 667.4 secs Computing kpt #: 261 total cpu time spent up to now is 671.4 secs Computing kpt #: 262 total cpu time spent up to now is 673.9 secs Computing kpt #: 263 total cpu time spent up to now is 676.2 secs Computing kpt #: 264 total cpu time spent up to now is 678.5 secs Computing kpt #: 265 total cpu time spent up to now is 680.8 secs Computing kpt #: 266 total cpu time spent up to now is 683.1 secs Computing kpt #: 267 total cpu time spent up to now is 685.5 secs Computing kpt #: 268 total cpu time spent up to now is 687.7 secs Computing kpt #: 269 total cpu time spent up to now is 690.0 secs Computing kpt #: 270 total cpu time spent up to now is 692.2 secs Computing kpt #: 271 total cpu time spent up to now is 694.4 secs Computing kpt #: 272 total cpu time spent up to now is 696.7 secs Computing kpt #: 273 total cpu time spent up to now is 699.0 secs Computing kpt #: 274 total cpu time spent up to now is 701.2 secs Computing kpt #: 275 total cpu time spent up to now is 703.4 secs Computing kpt #: 276 total cpu time spent up to now is 705.7 secs Computing kpt #: 277 total cpu time spent up to now is 708.0 secs Computing kpt #: 278 total cpu time spent up to now is 710.2 secs Computing kpt #: 279 total cpu time spent up to now is 712.5 secs Computing kpt #: 280 total cpu time spent up to now is 714.8 secs Computing kpt #: 281 total cpu time spent up to now is 717.0 secs Computing kpt #: 282 total cpu time spent up to now is 719.4 secs Computing kpt #: 283 total cpu time spent up to now is 721.7 secs Computing kpt #: 284 total cpu time spent up to now is 724.0 secs Computing kpt #: 285 total cpu time spent up to now is 726.3 secs Computing kpt #: 286 total cpu time spent up to now is 728.5 secs Computing kpt #: 287 total cpu time spent up to now is 730.8 secs Computing kpt #: 288 total cpu time spent up to now is 733.1 secs Computing kpt #: 289 total cpu time spent up to now is 735.5 secs Computing kpt #: 290 total cpu time spent up to now is 737.7 secs Computing kpt #: 291 total cpu time spent up to now is 740.0 secs Computing kpt #: 292 total cpu time spent up to now is 742.3 secs Computing kpt #: 293 total cpu time spent up to now is 744.6 secs Computing kpt #: 294 total cpu time spent up to now is 746.9 secs Computing kpt #: 295 total cpu time spent up to now is 749.3 secs Computing kpt #: 296 total cpu time spent up to now is 751.6 secs Computing kpt #: 297 total cpu time spent up to now is 753.9 secs Computing kpt #: 298 total cpu time spent up to now is 756.3 secs Computing kpt #: 299 total cpu time spent up to now is 758.7 secs Computing kpt #: 300 total cpu time spent up to now is 761.1 secs Computing kpt #: 301 total cpu time spent up to now is 763.5 secs Computing kpt #: 302 total cpu time spent up to now is 765.8 secs Computing kpt #: 303 total cpu time spent up to now is 768.4 secs Computing kpt #: 304 total cpu time spent up to now is 770.8 secs Computing kpt #: 305 total cpu time spent up to now is 773.1 secs Computing kpt #: 306 total cpu time spent up to now is 775.5 secs Computing kpt #: 307 total cpu time spent up to now is 777.9 secs Computing kpt #: 308 total cpu time spent up to now is 780.3 secs Computing kpt #: 309 total cpu time spent up to now is 782.7 secs Computing kpt #: 310 total cpu time spent up to now is 785.1 secs Computing kpt #: 311 total cpu time spent up to now is 787.5 secs Computing kpt #: 312 total cpu time spent up to now is 789.9 secs Computing kpt #: 313 total cpu time spent up to now is 792.3 secs Computing kpt #: 314 total cpu time spent up to now is 794.6 secs Computing kpt #: 315 total cpu time spent up to now is 797.0 secs Computing kpt #: 316 total cpu time spent up to now is 799.3 secs Computing kpt #: 317 total cpu time spent up to now is 801.5 secs Computing kpt #: 318 total cpu time spent up to now is 803.8 secs Computing kpt #: 319 total cpu time spent up to now is 806.0 secs Computing kpt #: 320 total cpu time spent up to now is 808.3 secs Computing kpt #: 321 total cpu time spent up to now is 810.6 secs Computing kpt #: 322 total cpu time spent up to now is 812.9 secs Computing kpt #: 323 total cpu time spent up to now is 815.1 secs Computing kpt #: 324 total cpu time spent up to now is 817.4 secs Computing kpt #: 325 total cpu time spent up to now is 819.6 secs Computing kpt #: 326 total cpu time spent up to now is 821.9 secs Computing kpt #: 327 total cpu time spent up to now is 824.1 secs Computing kpt #: 328 total cpu time spent up to now is 826.3 secs Computing kpt #: 329 total cpu time spent up to now is 828.3 secs Computing kpt #: 330 total cpu time spent up to now is 830.4 secs Computing kpt #: 331 total cpu time spent up to now is 832.4 secs Computing kpt #: 332 total cpu time spent up to now is 834.4 secs Computing kpt #: 333 total cpu time spent up to now is 836.4 secs Computing kpt #: 334 total cpu time spent up to now is 838.4 secs Computing kpt #: 335 total cpu time spent up to now is 840.7 secs Computing kpt #: 336 total cpu time spent up to now is 843.0 secs Computing kpt #: 337 total cpu time spent up to now is 845.3 secs Computing kpt #: 338 total cpu time spent up to now is 847.7 secs Computing kpt #: 339 total cpu time spent up to now is 850.0 secs Computing kpt #: 340 total cpu time spent up to now is 852.3 secs Computing kpt #: 341 total cpu time spent up to now is 854.7 secs Computing kpt #: 342 total cpu time spent up to now is 857.0 secs Computing kpt #: 343 total cpu time spent up to now is 859.4 secs Computing kpt #: 344 total cpu time spent up to now is 861.7 secs Computing kpt #: 345 total cpu time spent up to now is 864.1 secs Computing kpt #: 346 total cpu time spent up to now is 866.4 secs Computing kpt #: 347 total cpu time spent up to now is 868.7 secs Computing kpt #: 348 total cpu time spent up to now is 871.1 secs Computing kpt #: 349 total cpu time spent up to now is 873.3 secs Computing kpt #: 350 total cpu time spent up to now is 875.6 secs Computing kpt #: 351 total cpu time spent up to now is 877.9 secs Computing kpt #: 352 total cpu time spent up to now is 880.3 secs Computing kpt #: 353 total cpu time spent up to now is 882.7 secs Computing kpt #: 354 total cpu time spent up to now is 884.9 secs Computing kpt #: 355 total cpu time spent up to now is 887.1 secs Computing kpt #: 356 total cpu time spent up to now is 889.4 secs Computing kpt #: 357 total cpu time spent up to now is 891.6 secs Computing kpt #: 358 total cpu time spent up to now is 893.9 secs ethr = 2.78E-11, avg # of iterations = 25.6 total cpu time spent up to now is 894.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8849 PWs) bands (ev): -36.9059 -36.9059 -36.8818 -36.8818 -12.4032 -12.4032 -7.6708 -7.6708 -7.6599 -7.6599 -7.4817 -7.4817 -5.7235 -5.7235 -0.6409 -0.6409 -0.6188 -0.6188 -0.0473 -0.0473 3.0781 3.0781 4.1137 4.1137 4.5375 4.5375 5.2963 5.2963 5.3061 5.3061 5.6998 5.6998 6.1361 6.1361 6.1373 6.1373 10.9128 10.9128 13.4628 13.4628 15.6168 15.6168 15.6497 15.6497 k = 0.0000 0.0000 0.0152 ( 8851 PWs) bands (ev): -36.9059 -36.9059 -36.8818 -36.8818 -12.4025 -12.4025 -7.6738 -7.6733 -7.6619 -7.6618 -7.4822 -7.4815 -5.7190 -5.7190 -0.6422 -0.6405 -0.6191 -0.6190 -0.0461 -0.0452 3.0766 3.0769 4.1142 4.1142 4.5385 4.5386 5.2955 5.2955 5.3054 5.3054 5.6985 5.6987 6.1362 6.1366 6.1381 6.1381 10.9155 10.9158 13.4647 13.4647 15.6116 15.6117 15.6446 15.6448 k = 0.0000 0.0000 0.0304 ( 8855 PWs) bands (ev): -36.9059 -36.9059 -36.8819 -36.8819 -12.4003 -12.4003 -7.6851 -7.6839 -7.6649 -7.6645 -7.4832 -7.4818 -5.7058 -5.7057 -0.6452 -0.6418 -0.6192 -0.6189 -0.0414 -0.0398 3.0725 3.0730 4.1156 4.1157 4.5417 4.5419 5.2925 5.2926 5.3038 5.3039 5.6948 5.6952 6.1360 6.1366 6.1415 6.1417 10.9240 10.9246 13.4705 13.4705 15.5949 15.5955 15.6301 15.6313 k = 0.0000 0.0000 0.0456 ( 8857 PWs) bands (ev): -36.9059 -36.9059 -36.8819 -36.8819 -12.3968 -12.3968 -7.7059 -7.7043 -7.6671 -7.6665 -7.4846 -7.4827 -5.6840 -5.6839 -0.6515 -0.6467 -0.6170 -0.6168 -0.0335 -0.0311 3.0657 3.0665 4.1181 4.1182 4.5470 4.5473 5.2865 5.2865 5.3024 5.3024 5.6888 5.6893 6.1355 6.1364 6.1474 6.1477 10.9381 10.9391 13.4800 13.4801 15.5655 15.5671 15.6081 15.6110 k = 0.0000 0.0000 0.0608 ( 8869 PWs) bands (ev): -36.9058 -36.9058 -36.8819 -36.8819 -12.3918 -12.3918 -7.7347 -7.7329 -7.6693 -7.6685 -7.4866 -7.4843 -5.6543 -5.6542 -0.6616 -0.6558 -0.6119 -0.6118 -0.0226 -0.0196 3.0563 3.0574 4.1216 4.1218 4.5543 4.5547 5.2769 5.2771 5.3013 5.3013 5.6804 5.6811 6.1351 6.1361 6.1556 6.1561 10.9580 10.9592 13.4932 13.4933 15.5248 15.5274 15.5788 15.5834 k = 0.0000 0.0000 0.0761 ( 8865 PWs) bands (ev): -36.9058 -36.9058 -36.8820 -36.8820 -12.3854 -12.3854 -7.7704 -7.7686 -7.6717 -7.6709 -7.4893 -7.4868 -5.6174 -5.6172 -0.6750 -0.6685 -0.6045 -0.6038 -0.0089 -0.0054 3.0444 3.0457 4.1264 4.1266 4.5636 4.5641 5.2642 5.2644 5.3002 5.3002 5.6697 5.6705 6.1348 6.1361 6.1660 6.1667 10.9833 10.9848 13.5099 13.5100 15.4757 15.4791 15.5413 15.5474 k = 0.0000 0.0000 0.0913 ( 8863 PWs) bands (ev): -36.9057 -36.9057 -36.8821 -36.8821 -12.3776 -12.3776 -7.8124 -7.8104 -7.6746 -7.6736 -7.4928 -7.4901 -5.5738 -5.5735 -0.6912 -0.6841 -0.5948 -0.5937 0.0073 0.0112 3.0301 3.0316 4.1325 4.1327 4.5746 4.5752 5.2483 5.2486 5.2989 5.2989 5.6569 5.6577 6.1349 6.1364 6.1785 6.1793 11.0142 11.0160 13.5300 13.5301 15.4209 15.4248 15.4959 15.5031 k = 0.0000 0.0000 0.1065 ( 8871 PWs) bands (ev): -36.9056 -36.9056 -36.8821 -36.8821 -12.3684 -12.3684 -7.8596 -7.8578 -7.6779 -7.6767 -7.4970 -7.4942 -5.5244 -5.5241 -0.7097 -0.7021 -0.5830 -0.5814 0.0258 0.0300 3.0134 3.0151 4.1401 4.1403 4.5872 4.5879 5.2294 5.2298 5.2973 5.2973 5.6419 5.6428 6.1356 6.1372 6.1931 6.1940 11.0503 11.0524 13.5532 13.5533 15.3624 15.3666 15.4433 15.4513 k = 0.0000 0.0000 0.1217 ( 8871 PWs) bands (ev): -36.9055 -36.9055 -36.8822 -36.8822 -12.3578 -12.3578 -7.9116 -7.9098 -7.6816 -7.6803 -7.5020 -7.4991 -5.4698 -5.4695 -0.7302 -0.7222 -0.5693 -0.5673 0.0462 0.0505 2.9944 2.9964 4.1492 4.1495 4.6010 4.6018 5.2077 5.2082 5.2952 5.2952 5.6250 5.6258 6.1370 6.1388 6.2095 6.2106 11.0916 11.0940 13.5792 13.5795 15.3017 15.3062 15.3853 15.3938 k = 0.0000 0.0000 0.1369 ( 8865 PWs) bands (ev): -36.9054 -36.9054 -36.8823 -36.8823 -12.3458 -12.3457 -7.9676 -7.9658 -7.6857 -7.6843 -7.5077 -7.5047 -5.4108 -5.4104 -0.7525 -0.7441 -0.5538 -0.5513 0.0683 0.0727 2.9735 2.9756 4.1600 4.1604 4.6157 4.6166 5.1833 5.1840 5.2925 5.2926 5.6062 5.6069 6.1394 6.1412 6.2275 6.2288 11.1379 11.1405 13.6079 13.6082 15.2401 15.2449 15.3233 15.3322 k = 0.0000 0.0000 0.1521 ( 8869 PWs) bands (ev): -36.9053 -36.9053 -36.8824 -36.8824 -12.3323 -12.3323 -8.0270 -8.0253 -7.6902 -7.6887 -7.5140 -7.5111 -5.3479 -5.3475 -0.7763 -0.7677 -0.5364 -0.5335 0.0919 0.0964 2.9507 2.9530 4.1726 4.1729 4.6307 4.6318 5.1566 5.1574 5.2893 5.2894 5.5857 5.5864 6.1427 6.1446 6.2471 6.2484 11.1890 11.1919 13.6387 13.6391 15.1785 15.1834 15.2588 15.2678 k = 0.0000 0.0000 0.1673 ( 8873 PWs) bands (ev): -36.9052 -36.9052 -36.8826 -36.8826 -12.3175 -12.3174 -8.0893 -8.0878 -7.6951 -7.6934 -7.5211 -7.5181 -5.2817 -5.2812 -0.8016 -0.7927 -0.5172 -0.5139 0.1168 0.1212 2.9263 2.9287 4.1868 4.1872 4.6454 4.6466 5.1280 5.1291 5.2853 5.2855 5.5640 5.5644 6.1472 6.1491 6.2680 6.2695 11.2447 11.2478 13.6715 13.6720 15.1176 15.1226 15.1929 15.2019 k = 0.0000 0.0000 0.1825 ( 8873 PWs) bands (ev): -36.9050 -36.9050 -36.8827 -36.8827 -12.3012 -12.3012 -8.1541 -8.1527 -7.7004 -7.6985 -7.5287 -7.5257 -5.2127 -5.2121 -0.8280 -0.8191 -0.4963 -0.4926 0.1429 0.1471 2.9005 2.9031 4.2028 4.2033 4.6589 4.6602 5.0983 5.0997 5.2807 5.2809 5.5412 5.5414 6.1528 6.1547 6.2900 6.2916 11.3046 11.3080 13.7057 13.7063 15.0580 15.0631 15.1266 15.1356 k = 0.0000 0.0000 0.1977 ( 8877 PWs) bands (ev): -36.9049 -36.9049 -36.8829 -36.8829 -12.2836 -12.2835 -8.2211 -8.2197 -7.7059 -7.7040 -7.5369 -7.5338 -5.1412 -5.1406 -0.8556 -0.8466 -0.4737 -0.4696 0.1700 0.1740 2.8735 2.8762 4.2205 4.2211 4.6697 4.6712 5.0685 5.0702 5.2754 5.2756 5.5177 5.5178 6.1596 6.1614 6.3129 6.3146 11.3687 11.3723 13.7409 13.7415 15.0002 15.0054 15.0608 15.0697 k = 0.0000 0.0000 0.2130 ( 8878 PWs) bands (ev): -36.9047 -36.9047 -36.8830 -36.8830 -12.2645 -12.2645 -8.2897 -8.2885 -7.7118 -7.7097 -7.5457 -7.5426 -5.0676 -5.0670 -0.8843 -0.8752 -0.4496 -0.4451 0.1979 0.2017 2.8458 2.8486 4.2399 4.2405 4.6763 4.6779 5.0398 5.0418 5.2694 5.2697 5.4941 5.4945 6.1674 6.1692 6.3366 6.3384 11.4366 11.4405 13.7765 13.7772 14.9447 14.9499 14.9963 15.0050 k = 0.0000 0.0000 0.2282 ( 8874 PWs) bands (ev): -36.9045 -36.9045 -36.8832 -36.8832 -12.2441 -12.2440 -8.3599 -8.3587 -7.7179 -7.7157 -7.5549 -7.5517 -4.9923 -4.9917 -0.9139 -0.9048 -0.4238 -0.4190 0.2265 0.2300 2.8174 2.8203 4.2607 4.2614 4.6766 4.6784 5.0137 5.0161 5.2628 5.2632 5.4712 5.4720 6.1763 6.1780 6.3608 6.3626 11.5080 11.5121 13.8118 13.8127 14.8920 14.8970 14.9337 14.9420 k = 0.0000 0.0000 0.2434 ( 8878 PWs) bands (ev): -36.9043 -36.9043 -36.8834 -36.8834 -12.2223 -12.2222 -8.4313 -8.4301 -7.7243 -7.7220 -7.5645 -7.5614 -4.9156 -4.9149 -0.9444 -0.9353 -0.3966 -0.3913 0.2557 0.2589 2.7888 2.7918 4.2829 4.2837 4.6687 4.6705 4.9915 4.9943 5.2557 5.2561 5.4500 5.4513 6.1861 6.1878 6.3852 6.3872 11.5826 11.5869 13.8462 13.8471 14.8426 14.8472 14.8738 14.8815 k = 0.0000 0.0000 0.2586 ( 8868 PWs) bands (ev): -36.9041 -36.9041 -36.8835 -36.8835 -12.1991 -12.1990 -8.5036 -8.5026 -7.7309 -7.7284 -7.5746 -7.5714 -4.8376 -4.8368 -0.9758 -0.9668 -0.3679 -0.3623 0.2854 0.2882 2.7602 2.7632 4.3063 4.3072 4.6513 4.6531 4.9734 4.9764 5.2482 5.2487 5.4319 5.4337 6.1968 6.1983 6.4098 6.4119 11.6600 11.6645 13.8786 13.8796 14.7969 14.8000 14.8181 14.8241 k = 0.0000 0.0000 0.2738 ( 8882 PWs) bands (ev): -36.9039 -36.9039 -36.8838 -36.8838 -12.1745 -12.1745 -8.5768 -8.5758 -7.7376 -7.7351 -7.5850 -7.5817 -4.7586 -4.7578 -1.0080 -0.9991 -0.3379 -0.3319 0.3154 0.3178 2.7319 2.7349 4.3307 4.3316 4.6246 4.6262 4.9581 4.9614 5.2405 5.2410 5.4183 5.4206 6.2080 6.2094 6.4344 6.4366 11.7400 11.7447 13.9079 13.9089 14.7530 14.7547 14.7705 14.7714 k = 0.0000 0.0000 0.2890 ( 8870 PWs) bands (ev): -36.9037 -36.9037 -36.8840 -36.8840 -12.1486 -12.1485 -8.6507 -8.6497 -7.7445 -7.7418 -7.5957 -7.5924 -4.6787 -4.6779 -1.0409 -1.0322 -0.3066 -0.3002 0.3456 0.3477 2.7041 2.7072 4.3557 4.3567 4.5898 4.5911 4.9433 4.9466 5.2327 5.2333 5.4106 5.4135 6.2198 6.2211 6.4587 6.4610 11.8222 11.8271 13.9328 13.9339 14.7047 14.7116 14.7292 14.7337 k = 0.0000 0.0000 0.3042 ( 8862 PWs) bands (ev): -36.9035 -36.9035 -36.8842 -36.8842 -12.1213 -12.1213 -8.7250 -8.7241 -7.7515 -7.7487 -7.6066 -7.6033 -4.5983 -4.5974 -1.0747 -1.0661 -0.2741 -0.2674 0.3760 0.3776 2.6771 2.6802 4.3810 4.3821 4.5486 4.5496 4.9262 4.9295 5.2251 5.2258 5.4101 5.4134 6.2319 6.2330 6.4827 6.4850 11.9062 11.9112 13.9519 13.9530 14.6585 14.6663 14.7004 14.7059 k = 0.0000 0.0000 0.3194 ( 8866 PWs) bands (ev): -36.9032 -36.9032 -36.8844 -36.8844 -12.0927 -12.0926 -8.7998 -8.7989 -7.7586 -7.7557 -7.6178 -7.6145 -4.5173 -4.5165 -1.1092 -1.1007 -0.2405 -0.2334 0.4063 0.4075 2.6512 2.6543 4.4063 4.4075 4.5026 4.5034 4.9050 4.9081 5.2180 5.2188 5.4174 5.4211 6.2442 6.2451 6.5060 6.5085 11.9915 11.9968 13.9639 13.9648 14.6159 14.6238 14.6814 14.6870 k = 0.0000 0.0000 0.3346 ( 8870 PWs) bands (ev): -36.9030 -36.9030 -36.8847 -36.8847 -12.0627 -12.0626 -8.8748 -8.8740 -7.7657 -7.7627 -7.6291 -7.6258 -4.4360 -4.4351 -1.1444 -1.1361 -0.2059 -0.1985 0.4364 0.4372 2.6267 2.6297 4.4311 4.4323 4.4533 4.4538 4.8787 4.8815 5.2118 5.2126 5.4323 5.4363 6.2565 6.2572 6.5287 6.5312 12.0779 12.0832 13.9676 13.9682 14.5775 14.5853 14.6722 14.6775 k = 0.0000 0.0000 0.3499 ( 8868 PWs) bands (ev): -36.9027 -36.9027 -36.8849 -36.8849 -12.0314 -12.0313 -8.9500 -8.9492 -7.7728 -7.7697 -7.6406 -7.6372 -4.3544 -4.3536 -1.1804 -1.1723 -0.1704 -0.1626 0.4663 0.4665 2.6037 2.6067 4.4016 4.4018 4.4549 4.4562 4.8473 4.8497 5.2069 5.2078 5.4541 5.4582 6.2686 6.2691 6.5505 6.5531 12.1647 12.1702 13.9625 13.9630 14.5438 14.5514 14.6726 14.6775 k = 0.0000 0.0000 0.3651 ( 8880 PWs) bands (ev): -36.9024 -36.9024 -36.8852 -36.8852 -11.9988 -11.9987 -9.0253 -9.0246 -7.7799 -7.7767 -7.6522 -7.6487 -4.2728 -4.2719 -1.2171 -1.2092 -0.1340 -0.1259 0.4954 0.4957 2.5825 2.5855 4.3482 4.3484 4.4770 4.4783 4.8114 4.8133 5.2038 5.2048 5.4817 5.4860 6.2803 6.2806 6.5713 6.5741 12.2517 12.2573 13.9491 13.9492 14.5150 14.5223 14.6820 14.6866 k = 0.0000 0.0000 0.3803 ( 8880 PWs) bands (ev): -36.9022 -36.9022 -36.8854 -36.8854 -11.9648 -11.9647 -9.1006 -9.0999 -7.7869 -7.7837 -7.6638 -7.6602 -4.1911 -4.1902 -1.2545 -1.2468 -0.0970 -0.0885 0.5238 0.5245 2.5633 2.5663 4.2937 4.2942 4.4969 4.4982 4.7715 4.7730 5.2032 5.2041 5.5141 5.5185 6.2915 6.2916 6.5911 6.5938 12.3382 12.3440 13.9281 13.9283 14.4913 14.4984 14.6995 14.7035 k = 0.0000 0.0000 0.3955 ( 8868 PWs) bands (ev): -36.9019 -36.9019 -36.8857 -36.8857 -11.9295 -11.9294 -9.1758 -9.1752 -7.7938 -7.7905 -7.6753 -7.6718 -4.1095 -4.1086 -1.2926 -1.2852 -0.0594 -0.0506 0.5513 0.5526 2.5464 2.5493 4.2387 4.2395 4.5138 4.5151 4.7287 4.7296 5.2056 5.2065 5.5503 5.5548 6.3019 6.3020 6.6096 6.6124 12.4239 12.4297 13.9009 13.9013 14.4728 14.4796 14.7234 14.7270 k = 0.0000 0.0000 0.4107 ( 8860 PWs) bands (ev): -36.9016 -36.9016 -36.8860 -36.8860 -11.8930 -11.8929 -9.2510 -9.2504 -7.8006 -7.7972 -7.6869 -7.6833 -4.0281 -4.0272 -1.3315 -1.3243 -0.0214 -0.0122 0.5780 0.5797 2.5318 2.5347 4.1836 4.1847 4.5272 4.5285 4.6835 4.6838 5.2116 5.2124 5.5894 5.5940 6.3113 6.3117 6.6267 6.6296 12.5082 12.5141 13.8691 13.8698 14.4596 14.4662 14.7524 14.7553 k = 0.0000 0.0000 0.4259 ( 8864 PWs) bands (ev): -36.9013 -36.9013 -36.8863 -36.8863 -11.8551 -11.8550 -9.3259 -9.3254 -7.8072 -7.8038 -7.6983 -7.6947 -3.9470 -3.9461 -1.3711 -1.3641 0.0170 0.0264 0.6036 0.6058 2.5199 2.5227 4.1286 4.1300 4.5365 4.5377 4.6364 4.6366 5.2216 5.2224 5.6307 5.6354 6.3197 6.3203 6.6424 6.6454 12.5906 12.5965 13.8342 13.8350 14.4517 14.4582 14.7849 14.7873 k = 0.0000 0.0000 0.4411 ( 8864 PWs) bands (ev): -36.9010 -36.9010 -36.8866 -36.8866 -11.8160 -11.8159 -9.4007 -9.4002 -7.8137 -7.8102 -7.7096 -7.7060 -3.8662 -3.8653 -1.4115 -1.4048 0.0555 0.0653 0.6279 0.6307 2.5107 2.5135 4.0739 4.0757 4.5413 4.5425 4.5879 4.5889 5.2359 5.2367 5.6736 5.6784 6.3269 6.3278 6.6566 6.6597 12.6706 12.6766 13.7973 13.7982 14.4490 14.4554 14.8200 14.8217 k = 0.0000 0.0000 0.4563 ( 8864 PWs) bands (ev): -36.9006 -36.9006 -36.8869 -36.8869 -11.7756 -11.7755 -9.4751 -9.4747 -7.8199 -7.8163 -7.7208 -7.7171 -3.7858 -3.7850 -1.4526 -1.4462 0.0941 0.1042 0.6509 0.6542 2.5045 2.5072 4.0197 4.0218 4.5369 4.5388 4.5429 4.5453 5.2548 5.2554 5.7176 5.7226 6.3328 6.3341 6.6692 6.6723 12.7477 12.7537 13.7595 13.7605 14.4515 14.4578 14.8568 14.8576 k = 0.0000 0.0000 0.4715 ( 8880 PWs) bands (ev): -36.9003 -36.9003 -36.8872 -36.8872 -11.7339 -11.7338 -9.5493 -9.5488 -7.8258 -7.8222 -7.7317 -7.7280 -3.7059 -3.7051 -1.4946 -1.4884 0.1326 0.1430 0.6723 0.6761 2.5013 2.5039 3.9659 3.9685 4.4902 4.4916 4.5382 4.5382 5.2780 5.2785 5.7623 5.7675 6.3374 6.3390 6.6801 6.6833 12.8216 12.8275 13.7215 13.7226 14.4588 14.4651 14.8944 14.8947 k = 0.0000 0.0000 0.4867 ( 8884 PWs) bands (ev): -36.9000 -36.9000 -36.8875 -36.8875 -11.6910 -11.6909 -9.6230 -9.6226 -7.8315 -7.8278 -7.7424 -7.7387 -3.6266 -3.6259 -1.5374 -1.5315 0.1710 0.1816 0.6920 0.6963 2.5013 2.5039 3.9127 3.9157 4.4421 4.4442 4.5295 4.5295 5.3053 5.3057 5.8072 5.8126 6.3405 6.3425 6.6892 6.6924 12.8917 12.8976 13.6842 13.6852 14.4706 14.4768 14.9317 14.9332 k = 0.0000 0.0000 0.5020 ( 8888 PWs) bands (ev): -36.8996 -36.8996 -36.8879 -36.8879 -11.6469 -11.6468 -9.6964 -9.6960 -7.8368 -7.8331 -7.7529 -7.7491 -3.5480 -3.5473 -1.5810 -1.5754 0.2090 0.2199 0.7098 0.7147 2.5046 2.5071 3.8599 3.8633 4.3952 4.3980 4.5168 4.5171 5.3363 5.3365 5.8521 5.8576 6.3422 6.3445 6.6965 6.6998 12.9578 12.9635 13.6480 13.6491 14.4863 14.4927 14.9692 14.9721 k = 0.0000 0.0000 0.5172 ( 8888 PWs) bands (ev): -36.8993 -36.8993 -36.8882 -36.8882 -11.6016 -11.6014 -9.7693 -9.7689 -7.8418 -7.8381 -7.7630 -7.7592 -3.4700 -3.4694 -1.6255 -1.6202 0.2465 0.2577 0.7257 0.7311 2.5113 2.5138 3.8075 3.8112 4.3503 4.3537 4.5007 4.5012 5.3704 5.3705 5.8963 5.9021 6.3425 6.3451 6.7019 6.7052 13.0195 13.0250 13.6135 13.6145 14.5055 14.5121 15.0066 15.0112 k = 0.0000 0.0000 0.5324 ( 8890 PWs) bands (ev): -36.8990 -36.8990 -36.8885 -36.8885 -11.5550 -11.5549 -9.8417 -9.8414 -7.8465 -7.8427 -7.7728 -7.7689 -3.3928 -3.3922 -1.6710 -1.6659 0.2834 0.2948 0.7394 0.7453 2.5214 2.5238 3.7552 3.7592 4.3078 4.3117 4.4817 4.4825 5.4072 5.4073 5.9395 5.9457 6.3414 6.3445 6.7054 6.7087 13.0765 13.0818 13.5810 13.5820 14.5275 14.5344 15.0436 15.0503 k = 0.0000 0.0000 0.5476 ( 8886 PWs) bands (ev): -36.8986 -36.8986 -36.8889 -36.8889 -11.5073 -11.5072 -9.9136 -9.9133 -7.8507 -7.8469 -7.7822 -7.7783 -3.3164 -3.3159 -1.7173 -1.7125 0.3197 0.3313 0.7509 0.7573 2.5350 2.5374 3.7028 3.7072 4.2683 4.2727 4.4602 4.4613 5.4461 5.4463 5.9811 5.9876 6.3393 6.3429 6.7070 6.7102 13.1288 13.1337 13.5509 13.5518 14.5517 14.5589 15.0799 15.0889 k = 0.0000 0.0000 0.5628 ( 8894 PWs) bands (ev): -36.8982 -36.8982 -36.8892 -36.8892 -11.4584 -11.4583 -9.9850 -9.9847 -7.8545 -7.8507 -7.7912 -7.7873 -3.2408 -3.2404 -1.7646 -1.7601 0.3551 0.3669 0.7601 0.7670 2.5521 2.5545 3.6502 3.6549 4.2324 4.2372 4.4367 4.4381 5.4867 5.4870 6.0204 6.0272 6.3367 6.3407 6.7065 6.7098 13.1761 13.1807 13.5234 13.5243 14.5776 14.5852 15.1145 15.1262 k = 0.0000 0.0000 0.5780 ( 8890 PWs) bands (ev): -36.8979 -36.8979 -36.8896 -36.8896 -11.4084 -11.4082 -10.0558 -10.0554 -7.8579 -7.8540 -7.7998 -7.7959 -3.1662 -3.1659 -1.8129 -1.8087 0.3897 0.4016 0.7670 0.7744 2.5726 2.5750 3.5972 3.6021 4.2004 4.2056 4.4117 4.4134 5.5286 5.5290 6.0562 6.0634 6.3344 6.3388 6.7040 6.7072 13.2184 13.2226 13.4987 13.4995 14.6046 14.6128 15.1463 15.1610 k = 0.0000 0.0000 0.5932 ( 8888 PWs) bands (ev): -36.8975 -36.8975 -36.8900 -36.8900 -11.3572 -11.3571 -10.1259 -10.1256 -7.8609 -7.8569 -7.8080 -7.8041 -3.0925 -3.0923 -1.8623 -1.8583 0.4232 0.4352 0.7714 0.7793 2.5966 2.5991 3.5437 3.5488 4.1728 4.1783 4.3856 4.3876 5.5714 5.5719 6.0871 6.0945 6.3338 6.3386 6.6994 6.7027 13.2556 13.2594 13.4769 13.4777 14.6325 14.6413 15.1733 15.1909 k = 0.0000 0.0000 0.6084 ( 8896 PWs) bands (ev): -36.8971 -36.8971 -36.8903 -36.8903 -11.3049 -11.3048 -10.1954 -10.1951 -7.8633 -7.8594 -7.8157 -7.8118 -3.0199 -3.0198 -1.9126 -1.9090 0.4557 0.4678 0.7734 0.7817 2.6240 2.6265 3.4897 3.4948 4.1499 4.1556 4.3588 4.3610 5.6148 5.6153 6.1111 6.1184 6.3369 6.3417 6.6928 6.6960 13.2878 13.2912 13.4580 13.4588 14.6613 14.6708 15.1929 15.2132 k = 0.0000 0.0000 0.6236 ( 8904 PWs) bands (ev): -36.8968 -36.8968 -36.8907 -36.8907 -11.2515 -11.2514 -10.2642 -10.2640 -7.8653 -7.8613 -7.8230 -7.8190 -2.9483 -2.9482 -1.9641 -1.9607 0.4870 0.4991 0.7730 0.7817 2.6546 2.6572 3.4351 3.4402 4.1317 4.1375 4.3316 4.3342 5.6584 5.6589 6.1261 6.1329 6.3459 6.3502 6.6841 6.6873 13.3151 13.3180 13.4422 13.4429 14.6910 14.7012 15.2028 15.2249 k = 0.0000 0.0000 0.6389 ( 8900 PWs) bands (ev): -36.8964 -36.8964 -36.8911 -36.8911 -11.1970 -11.1969 -10.3323 -10.3321 -7.8668 -7.8628 -7.8297 -7.8257 -2.8778 -2.8777 -2.0167 -2.0136 0.5171 0.5293 0.7701 0.7793 2.6884 2.6910 3.3800 3.3850 4.1183 4.1241 4.3045 4.3073 5.7019 5.7024 6.1311 6.1368 6.3617 6.3650 6.6734 6.6764 13.3376 13.3401 13.4291 13.4299 14.7219 14.7329 15.2019 15.2245 k = 0.0000 0.0000 0.6541 ( 8900 PWs) bands (ev): -36.8960 -36.8960 -36.8914 -36.8914 -11.1415 -11.1413 -10.3997 -10.3995 -7.8677 -7.8637 -7.8359 -7.8319 -2.8085 -2.8082 -2.0704 -2.0675 0.5459 0.5580 0.7649 0.7745 2.7252 2.7280 3.3246 3.3295 4.1096 4.1154 4.2777 4.2808 5.7451 5.7456 6.1265 6.1310 6.3833 6.3855 6.6606 6.6636 13.3556 13.3576 13.4189 13.4195 14.7542 14.7661 15.1902 15.2126 k = 0.0000 0.0000 0.6693 ( 8904 PWs) bands (ev): -36.8956 -36.8956 -36.8918 -36.8918 -11.0849 -11.0847 -10.4663 -10.4661 -7.8681 -7.8641 -7.8416 -7.8376 -2.7404 -2.7399 -2.1253 -2.1227 0.5733 0.5854 0.7574 0.7673 2.7649 2.7677 3.2691 3.2739 4.1054 4.1112 4.2517 4.2550 5.7876 5.7881 6.1140 6.1174 6.4087 6.4099 6.6458 6.6486 13.3695 13.3711 13.4111 13.4117 14.7884 14.8010 15.1691 15.1907 k = 0.0000 0.0000 0.6845 ( 8900 PWs) bands (ev): -36.8953 -36.8953 -36.8922 -36.8922 -11.0273 -11.0271 -10.5321 -10.5319 -7.8680 -7.8639 -7.8468 -7.8427 -2.6734 -2.6728 -2.1813 -2.1790 0.5994 0.6114 0.7476 0.7579 2.8072 2.8102 3.2137 3.2183 4.1056 4.1112 4.2267 4.2303 5.8292 5.8296 6.0954 6.0979 6.4362 6.4365 6.6289 6.6317 13.3797 13.3810 13.4055 13.4061 14.8244 14.8379 15.1404 15.1611 k = 0.0000 0.0000 0.6997 ( 8892 PWs) bands (ev): -36.8949 -36.8949 -36.8926 -36.8926 -10.9687 -10.9685 -10.5971 -10.5969 -7.8673 -7.8632 -7.8514 -7.8473 -2.6076 -2.6068 -2.2386 -2.2364 0.6239 0.6358 0.7357 0.7463 2.8520 2.8551 3.1587 3.1631 4.1099 4.1153 4.2030 4.2070 5.8698 5.8700 6.0721 6.0738 6.4639 6.4643 6.6102 6.6127 13.3869 13.3878 13.4017 13.4022 14.8624 14.8767 15.1061 15.1257 k = 0.0000 0.0000 0.7149 ( 8890 PWs) bands (ev): -36.8945 -36.8945 -36.8930 -36.8930 -10.9091 -10.9089 -10.6613 -10.6611 -7.8660 -7.8620 -7.8554 -7.8514 -2.5431 -2.5420 -2.2970 -2.2951 0.6469 0.6587 0.7217 0.7326 2.8990 2.9023 3.1043 3.1085 4.1179 4.1232 4.1812 4.1854 5.9089 5.9090 6.0449 6.0461 6.4912 6.4922 6.5896 6.5919 13.3916 13.3922 13.3993 13.3997 14.9022 14.9173 15.0678 15.0865 k = 0.0000 0.0000 0.7301 ( 8874 PWs) bands (ev): -36.8941 -36.8941 -36.8933 -36.8933 -10.8485 -10.8483 -10.7246 -10.7244 -7.8642 -7.8602 -7.8589 -7.8549 -2.4797 -2.4785 -2.3567 -2.3550 0.6683 0.6798 0.7057 0.7169 2.9480 2.9515 3.0509 3.0549 4.1294 4.1344 4.1614 4.1659 5.9463 5.9464 6.0145 6.0153 6.5178 6.5192 6.5672 6.5693 13.3945 13.3949 13.3978 13.3980 14.9433 14.9593 15.0271 15.0448 k = 0.0000 0.0000 0.7453 ( 8864 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7870 -10.7870 -10.7868 -10.7868 -7.8619 -7.8619 -7.8578 -7.8578 -2.4176 -2.4176 -2.4162 -2.4162 0.6879 0.6879 0.6993 0.6993 2.9987 2.9987 3.0025 3.0025 4.1440 4.1440 4.1488 4.1488 5.9815 5.9815 5.9819 5.9819 6.5432 6.5432 6.5450 6.5450 13.3965 13.3965 13.3965 13.3965 14.9852 14.9852 15.0021 15.0021 k = 0.0000 0.0000 0.7453 ( 8864 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7870 -10.7870 -10.7868 -10.7868 -7.8619 -7.8619 -7.8578 -7.8578 -2.4176 -2.4176 -2.4162 -2.4162 0.6879 0.6879 0.6993 0.6993 2.9987 2.9987 3.0025 3.0025 4.1440 4.1440 4.1488 4.1488 5.9815 5.9815 5.9819 5.9819 6.5432 6.5432 6.5450 6.5450 13.3965 13.3965 13.3965 13.3965 14.9852 14.9852 15.0021 15.0021 k =-0.0102 0.0113 0.7453 ( 8868 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7871 -10.7871 -10.7869 -10.7869 -7.8619 -7.8619 -7.8579 -7.8579 -2.4168 -2.4168 -2.4152 -2.4152 0.6874 0.6874 0.6988 0.6988 2.9982 2.9982 3.0020 3.0020 4.1437 4.1437 4.1485 4.1485 5.9825 5.9825 5.9829 5.9829 6.5422 6.5422 6.5440 6.5440 13.3961 13.3961 13.3963 13.3963 14.9835 14.9835 15.0003 15.0003 k =-0.0205 0.0226 0.7453 ( 8872 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7873 -10.7873 -10.7870 -10.7870 -7.8622 -7.8622 -7.8580 -7.8580 -2.4142 -2.4142 -2.4123 -2.4123 0.6860 0.6860 0.6974 0.6974 2.9967 2.9967 3.0006 3.0006 4.1429 4.1429 4.1476 4.1476 5.9854 5.9854 5.9858 5.9858 6.5392 6.5392 6.5410 6.5410 13.3953 13.3953 13.3957 13.3957 14.9782 14.9782 14.9951 14.9951 k =-0.0307 0.0339 0.7453 ( 8876 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7876 -10.7876 -10.7872 -10.7872 -7.8625 -7.8625 -7.8583 -7.8583 -2.4100 -2.4100 -2.4076 -2.4076 0.6835 0.6835 0.6950 0.6950 2.9943 2.9943 2.9982 2.9982 4.1414 4.1414 4.1461 4.1461 5.9900 5.9900 5.9905 5.9905 6.5344 6.5344 6.5362 6.5362 13.3939 13.3939 13.3944 13.3944 14.9699 14.9699 14.9868 14.9868 k =-0.0409 0.0452 0.7453 ( 8884 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7880 -10.7880 -10.7875 -10.7875 -7.8630 -7.8630 -7.8587 -7.8587 -2.4040 -2.4040 -2.4010 -2.4010 0.6802 0.6802 0.6917 0.6917 2.9910 2.9910 2.9950 2.9950 4.1395 4.1395 4.1442 4.1442 5.9963 5.9963 5.9969 5.9969 6.5277 6.5277 6.5295 6.5295 13.3918 13.3918 13.3925 13.3925 14.9590 14.9590 14.9759 14.9759 k =-0.0511 0.0565 0.7453 ( 8884 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7886 -10.7886 -10.7879 -10.7879 -7.8636 -7.8636 -7.8592 -7.8592 -2.3964 -2.3964 -2.3928 -2.3928 0.6759 0.6759 0.6875 0.6875 2.9869 2.9869 2.9909 2.9909 4.1371 4.1371 4.1418 4.1418 6.0040 6.0040 6.0047 6.0047 6.5192 6.5192 6.5212 6.5212 13.3887 13.3887 13.3896 13.3896 14.9462 14.9462 14.9631 14.9631 k =-0.0614 0.0678 0.7453 ( 8880 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7892 -10.7892 -10.7884 -10.7884 -7.8643 -7.8643 -7.8598 -7.8598 -2.3871 -2.3871 -2.3829 -2.3829 0.6707 0.6707 0.6825 0.6825 2.9820 2.9820 2.9861 2.9861 4.1344 4.1344 4.1390 4.1390 6.0128 6.0128 6.0136 6.0136 6.5093 6.5093 6.5113 6.5113 13.3846 13.3846 13.3856 13.3856 14.9323 14.9323 14.9491 14.9491 k =-0.0716 0.0792 0.7453 ( 8884 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7899 -10.7899 -10.7890 -10.7890 -7.8651 -7.8651 -7.8605 -7.8605 -2.3762 -2.3762 -2.3714 -2.3714 0.6646 0.6646 0.6765 0.6765 2.9765 2.9765 2.9807 2.9807 4.1313 4.1313 4.1359 4.1359 6.0222 6.0222 6.0232 6.0232 6.4981 6.4981 6.5003 6.5003 13.3792 13.3792 13.3803 13.3803 14.9181 14.9181 14.9348 14.9348 k =-0.0818 0.0905 0.7453 ( 8884 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7907 -10.7907 -10.7898 -10.7898 -7.8660 -7.8660 -7.8612 -7.8612 -2.3637 -2.3637 -2.3584 -2.3584 0.6578 0.6578 0.6698 0.6698 2.9705 2.9705 2.9748 2.9748 4.1281 4.1281 4.1326 4.1326 6.0317 6.0317 6.0330 6.0330 6.4859 6.4859 6.4884 6.4884 13.3721 13.3721 13.3733 13.3733 14.9044 14.9044 14.9211 14.9211 k =-0.0921 0.1018 0.7453 ( 8888 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7917 -10.7917 -10.7906 -10.7906 -7.8670 -7.8670 -7.8621 -7.8621 -2.3499 -2.3499 -2.3439 -2.3439 0.6501 0.6501 0.6623 0.6623 2.9641 2.9641 2.9685 2.9685 4.1247 4.1247 4.1291 4.1291 6.0408 6.0408 6.0424 6.0424 6.4733 6.4733 6.4762 6.4762 13.3632 13.3632 13.3645 13.3645 14.8923 14.8923 14.9089 14.9089 k =-0.1023 0.1131 0.7453 ( 8886 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7927 -10.7927 -10.7915 -10.7915 -7.8680 -7.8680 -7.8629 -7.8629 -2.3347 -2.3347 -2.3281 -2.3281 0.6417 0.6417 0.6541 0.6541 2.9575 2.9575 2.9620 2.9620 4.1213 4.1213 4.1256 4.1256 6.0486 6.0486 6.0506 6.0506 6.4608 6.4608 6.4642 6.4642 13.3523 13.3523 13.3536 13.3536 14.8825 14.8825 14.8989 14.8989 k =-0.1125 0.1244 0.7453 ( 8894 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7938 -10.7938 -10.7925 -10.7925 -7.8691 -7.8691 -7.8639 -7.8639 -2.3182 -2.3182 -2.3111 -2.3111 0.6327 0.6327 0.6452 0.6452 2.9508 2.9508 2.9553 2.9553 4.1179 4.1179 4.1221 4.1221 6.0542 6.0542 6.0566 6.0566 6.4492 6.4492 6.4531 6.4531 13.3391 13.3391 13.3405 13.3405 14.8756 14.8756 14.8918 14.8918 k =-0.1227 0.1357 0.7453 ( 8902 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7950 -10.7950 -10.7936 -10.7936 -7.8702 -7.8702 -7.8648 -7.8648 -2.3006 -2.3006 -2.2929 -2.2929 0.6230 0.6230 0.6358 0.6358 2.9441 2.9441 2.9487 2.9487 4.1147 4.1147 4.1188 4.1188 6.0566 6.0566 6.0594 6.0594 6.4394 6.4394 6.4439 6.4439 13.3236 13.3236 13.3250 13.3250 14.8724 14.8724 14.8884 14.8884 k =-0.1330 0.1470 0.7453 ( 8898 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7962 -10.7962 -10.7948 -10.7948 -7.8713 -7.8713 -7.8658 -7.8658 -2.2821 -2.2821 -2.2738 -2.2738 0.6129 0.6129 0.6259 0.6259 2.9376 2.9376 2.9423 2.9423 4.1117 4.1117 4.1156 4.1156 6.0547 6.0547 6.0579 6.0579 6.4324 6.4324 6.4375 6.4375 13.3057 13.3057 13.3072 13.3072 14.8732 14.8732 14.8889 14.8889 k =-0.1432 0.1583 0.7453 ( 8884 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7976 -10.7976 -10.7960 -10.7960 -7.8723 -7.8723 -7.8667 -7.8667 -2.2626 -2.2626 -2.2538 -2.2538 0.6024 0.6024 0.6156 0.6156 2.9314 2.9314 2.9363 2.9363 4.1089 4.1089 4.1126 4.1126 6.0476 6.0476 6.0512 6.0512 6.4289 6.4289 6.4345 6.4345 13.2855 13.2855 13.2871 13.2871 14.8783 14.8783 14.8937 14.8937 k =-0.1534 0.1696 0.7453 ( 8888 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7990 -10.7990 -10.7974 -10.7974 -7.8734 -7.8734 -7.8677 -7.8677 -2.2424 -2.2424 -2.2331 -2.2331 0.5915 0.5915 0.6049 0.6049 2.9258 2.9258 2.9307 2.9307 4.1064 4.1064 4.1100 4.1100 6.0348 6.0348 6.0385 6.0385 6.4294 6.4294 6.4354 6.4354 13.2632 13.2632 13.2650 13.2650 14.8880 14.8880 14.9030 14.9030 k =-0.1637 0.1809 0.7453 ( 8886 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.8005 -10.8005 -10.7988 -10.7988 -7.8744 -7.8744 -7.8686 -7.8686 -2.2216 -2.2216 -2.2118 -2.2118 0.5805 0.5805 0.5941 0.5941 2.9208 2.9208 2.9258 2.9258 4.1043 4.1043 4.1077 4.1077 6.0161 6.0161 6.0199 6.0199 6.4340 6.4340 6.4402 6.4402 13.2391 13.2391 13.2410 13.2410 14.9021 14.9021 14.9167 14.9167 k =-0.1739 0.1922 0.7453 ( 8884 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.8020 -10.8020 -10.8003 -10.8003 -7.8754 -7.8754 -7.8694 -7.8694 -2.2004 -2.2004 -2.1901 -2.1901 0.5693 0.5693 0.5831 0.5831 2.9167 2.9167 2.9217 2.9217 4.1025 4.1025 4.1057 4.1057 5.9917 5.9917 5.9953 5.9953 6.4423 6.4423 6.4486 6.4486 13.2135 13.2135 13.2156 13.2156 14.9204 14.9204 14.9345 14.9345 k =-0.1841 0.2035 0.7453 ( 8890 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.8037 -10.8037 -10.8019 -10.8019 -7.8763 -7.8763 -7.8703 -7.8703 -2.1789 -2.1789 -2.1682 -2.1682 0.5582 0.5582 0.5722 0.5722 2.9134 2.9134 2.9184 2.9184 4.1012 4.1012 4.1042 4.1042 5.9621 5.9621 5.9655 5.9655 6.4537 6.4537 6.4600 6.4600 13.1867 13.1867 13.1890 13.1890 14.9426 14.9426 14.9562 14.9562 k =-0.1943 0.2148 0.7453 ( 8886 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.8053 -10.8053 -10.8035 -10.8035 -7.8771 -7.8771 -7.8710 -7.8710 -2.1572 -2.1572 -2.1461 -2.1461 0.5472 0.5472 0.5614 0.5614 2.9112 2.9112 2.9163 2.9163 4.1003 4.1003 4.1031 4.1031 5.9278 5.9278 5.9310 5.9310 6.4676 6.4676 6.4738 6.4738 13.1592 13.1592 13.1617 13.1617 14.9680 14.9680 14.9810 14.9810 k =-0.2046 0.2261 0.7453 ( 8890 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.8070 -10.8070 -10.8052 -10.8052 -7.8778 -7.8778 -7.8717 -7.8717 -2.1355 -2.1355 -2.1241 -2.1241 0.5365 0.5365 0.5508 0.5508 2.9102 2.9102 2.9153 2.9153 4.0998 4.0998 4.1024 4.1024 5.8895 5.8895 5.8923 5.8923 6.4832 6.4832 6.4893 6.4893 13.1315 13.1315 13.1341 13.1341 14.9960 14.9960 15.0082 15.0082 k =-0.2046 0.2261 0.7453 ( 8890 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.8070 -10.8070 -10.8052 -10.8052 -7.8778 -7.8778 -7.8717 -7.8717 -2.1355 -2.1355 -2.1241 -2.1241 0.5365 0.5365 0.5508 0.5508 2.9102 2.9102 2.9153 2.9153 4.0998 4.0998 4.1024 4.1024 5.8895 5.8895 5.8923 5.8923 6.4832 6.4832 6.4893 6.4893 13.1315 13.1315 13.1341 13.1341 14.9960 14.9960 15.0082 15.0082 k =-0.2116 0.2339 0.7348 ( 8882 PWs) bands (ev): -36.8939 -36.8939 -36.8935 -36.8935 -10.8399 -10.8394 -10.7750 -10.7744 -7.8817 -7.8781 -7.8721 -7.8683 -2.1614 -2.1551 -2.0751 -2.0687 0.5185 0.5267 0.5457 0.5537 2.8862 2.8893 2.9365 2.9399 4.0820 4.0837 4.1195 4.1209 5.8474 5.8499 5.8744 5.8770 6.4880 6.4925 6.5022 6.5067 13.0692 13.0720 13.1558 13.1581 15.0140 15.0183 15.0278 15.0327 k =-0.2186 0.2417 0.7244 ( 8875 PWs) bands (ev): -36.8941 -36.8941 -36.8933 -36.8933 -10.8720 -10.8714 -10.7447 -10.7440 -7.8859 -7.8820 -7.8683 -7.8640 -2.1896 -2.1832 -2.0184 -2.0118 0.4983 0.5072 0.5491 0.5576 2.8629 2.8658 2.9622 2.9658 4.0641 4.0659 4.1410 4.1421 5.8039 5.8061 5.8574 5.8599 6.4923 6.4970 6.5192 6.5237 13.0047 13.0080 13.1824 13.1845 15.0348 15.0395 15.0544 15.0598 k =-0.2257 0.2495 0.7139 ( 8877 PWs) bands (ev): -36.8943 -36.8943 -36.8931 -36.8931 -10.9025 -10.9020 -10.7155 -10.7149 -7.8900 -7.8862 -7.8637 -7.8592 -2.2179 -2.2114 -1.9625 -1.9557 0.4771 0.4862 0.5528 0.5613 2.8412 2.8438 2.9884 2.9920 4.0465 4.0484 4.1646 4.1654 5.7593 5.7613 5.8390 5.8413 6.4967 6.5014 6.5352 6.5395 12.9392 12.9428 13.2111 13.2131 15.0571 15.0624 15.0842 15.0893 k =-0.2327 0.2572 0.7034 ( 8873 PWs) bands (ev): -36.8945 -36.8945 -36.8930 -36.8930 -10.9315 -10.9311 -10.6876 -10.6869 -7.8939 -7.8903 -7.8587 -7.8541 -2.2461 -2.2396 -1.9076 -1.9007 0.4553 0.4644 0.5564 0.5649 2.8209 2.8232 3.0149 3.0186 4.0293 4.0312 4.1902 4.1908 5.7141 5.7159 5.8192 5.8214 6.5010 6.5056 6.5498 6.5539 12.8733 12.8772 13.2417 13.2436 15.0805 15.0868 15.1159 15.1208 k =-0.2397 0.2650 0.6929 ( 8873 PWs) bands (ev): -36.8947 -36.8947 -36.8928 -36.8928 -10.9590 -10.9585 -10.6609 -10.6602 -7.8978 -7.8942 -7.8533 -7.8485 -2.2740 -2.2674 -1.8539 -1.8468 0.4328 0.4420 0.5599 0.5682 2.8020 2.8042 3.0417 3.0454 4.0123 4.0144 4.2175 4.2180 5.6686 5.6702 5.7983 5.8005 6.5052 6.5098 6.5629 6.5669 12.8078 12.8120 13.2740 13.2757 15.1045 15.1119 15.1485 15.1535 k =-0.2468 0.2728 0.6824 ( 8866 PWs) bands (ev): -36.8949 -36.8949 -36.8926 -36.8926 -10.9849 -10.9845 -10.6356 -10.6349 -7.9014 -7.8980 -7.8476 -7.8427 -2.3014 -2.2948 -1.8014 -1.7942 0.4098 0.4191 0.5632 0.5714 2.7846 2.7865 3.0686 3.0725 3.9956 3.9978 4.2463 4.2468 5.6232 5.6245 5.7766 5.7787 6.5093 6.5138 6.5746 6.5783 12.7434 12.7479 13.3075 13.3091 15.1288 15.1370 15.1812 15.1863 k =-0.2538 0.2806 0.6719 ( 8871 PWs) bands (ev): -36.8950 -36.8950 -36.8925 -36.8925 -11.0092 -11.0088 -10.6118 -10.6110 -7.9049 -7.9016 -7.8417 -7.8368 -2.3282 -2.3217 -1.7504 -1.7430 0.3865 0.3959 0.5664 0.5745 2.7685 2.7702 3.0957 3.0996 3.9791 3.9814 4.2765 4.2770 5.5781 5.5792 5.7543 5.7564 6.5133 6.5178 6.5847 6.5882 12.6807 12.6855 13.3421 13.3435 15.1528 15.1614 15.2130 15.2182 k =-0.2608 0.2884 0.6615 ( 8868 PWs) bands (ev): -36.8952 -36.8952 -36.8923 -36.8923 -11.0320 -11.0315 -10.5893 -10.5886 -7.9082 -7.9050 -7.8357 -7.8306 -2.3543 -2.3477 -1.7011 -1.6936 0.3630 0.3724 0.5695 0.5775 2.7537 2.7552 3.1228 3.1268 3.9628 3.9652 4.3079 4.3085 5.5334 5.5344 5.7317 5.7338 6.5171 6.5216 6.5933 6.5966 12.6203 12.6252 13.3773 13.3786 15.1758 15.1843 15.2429 15.2483 k =-0.2679 0.2961 0.6510 ( 8863 PWs) bands (ev): -36.8953 -36.8953 -36.8922 -36.8922 -11.0530 -11.0526 -10.5684 -10.5676 -7.9113 -7.9083 -7.8297 -7.8245 -2.3793 -2.3728 -1.6536 -1.6461 0.3396 0.3490 0.5725 0.5803 2.7402 2.7415 3.1497 3.1538 3.9467 3.9492 4.3402 4.3410 5.4895 5.4904 5.7090 5.7111 6.5208 6.5252 6.6005 6.6036 12.5626 12.5677 13.4129 13.4140 15.1968 15.2047 15.2702 15.2760 k =-0.2749 0.3039 0.6405 ( 8867 PWs) bands (ev): -36.8955 -36.8955 -36.8920 -36.8920 -11.0725 -11.0721 -10.5490 -10.5482 -7.9142 -7.9113 -7.8237 -7.8184 -2.4033 -2.3967 -1.6083 -1.6006 0.3163 0.3258 0.5754 0.5830 2.7280 2.7291 3.1764 3.1805 3.9309 3.9334 4.3732 4.3741 5.4464 5.4473 5.6865 5.6887 6.5243 6.5286 6.6065 6.6094 12.5081 12.5133 13.4483 13.4493 15.2142 15.2209 15.2942 15.3008 k =-0.2819 0.3117 0.6300 ( 8861 PWs) bands (ev): -36.8956 -36.8956 -36.8919 -36.8919 -11.0903 -11.0899 -10.5312 -10.5304 -7.9168 -7.9140 -7.8178 -7.8125 -2.4258 -2.4193 -1.5654 -1.5576 0.2936 0.3031 0.5781 0.5856 2.7170 2.7179 3.2026 3.2067 3.9152 3.9179 4.4066 4.4076 5.4045 5.4055 5.6646 5.6667 6.5276 6.5318 6.6114 6.6140 12.4571 12.4624 13.4832 13.4841 15.2256 15.2306 15.3150 15.3227 k =-0.2890 0.3195 0.6195 ( 8861 PWs) bands (ev): -36.8957 -36.8957 -36.8918 -36.8918 -11.1064 -11.1061 -10.5150 -10.5142 -7.9193 -7.9166 -7.8122 -7.8067 -2.4469 -2.4404 -1.5251 -1.5173 0.2716 0.2812 0.5807 0.5881 2.7071 2.7079 3.2281 3.2322 3.8998 3.9026 4.4401 4.4412 5.3639 5.3650 5.6434 5.6457 6.5306 6.5348 6.6152 6.6176 12.4099 12.4154 13.5170 13.5178 15.2280 15.2312 15.3325 15.3418 k =-0.2960 0.3272 0.6090 ( 8859 PWs) bands (ev): -36.8958 -36.8958 -36.8917 -36.8917 -11.1209 -11.1206 -10.5005 -10.4997 -7.9215 -7.9189 -7.8068 -7.8013 -2.4662 -2.4597 -1.4877 -1.4799 0.2507 0.2603 0.5832 0.5904 2.6984 2.6991 3.2527 3.2567 3.8849 3.8876 4.4734 4.4745 5.3250 5.3261 5.6234 5.6257 6.5334 6.5375 6.6182 6.6204 12.3670 12.3725 13.5494 13.5501 15.2206 15.2226 15.3475 15.3585 k =-0.3030 0.3350 0.5985 ( 8865 PWs) bands (ev): -36.8959 -36.8959 -36.8916 -36.8916 -11.1337 -11.1334 -10.4876 -10.4868 -7.9234 -7.9209 -7.8019 -7.7963 -2.4837 -2.4773 -1.4537 -1.4458 0.2311 0.2407 0.5854 0.5925 2.6907 2.6913 3.2760 3.2799 3.8705 3.8732 4.5059 4.5071 5.2879 5.2891 5.6049 5.6072 6.5360 6.5400 6.6204 6.6224 12.3285 12.3341 13.5798 13.5804 15.2062 15.2076 15.3610 15.3731 k =-0.3101 0.3428 0.5881 ( 8861 PWs) bands (ev): -36.8959 -36.8959 -36.8916 -36.8916 -11.1448 -11.1445 -10.4764 -10.4756 -7.9251 -7.9227 -7.7974 -7.7918 -2.4993 -2.4928 -1.4233 -1.4153 0.2132 0.2228 0.5875 0.5944 2.6841 2.6847 3.2976 3.3015 3.8569 3.8596 4.5372 4.5384 5.2532 5.2544 5.5881 5.5905 6.5382 6.5421 6.6221 6.6239 12.2947 12.3004 13.6076 13.6081 15.1887 15.1899 15.3737 15.3842 k =-0.3171 0.3506 0.5776 ( 8860 PWs) bands (ev): -36.8960 -36.8960 -36.8915 -36.8915 -11.1542 -11.1539 -10.4669 -10.4661 -7.9266 -7.9243 -7.7935 -7.7878 -2.5126 -2.5062 -1.3968 -1.3888 0.1974 0.2070 0.5892 0.5960 2.6786 2.6791 3.3173 3.3210 3.8443 3.8470 4.5665 4.5676 5.2214 5.2225 5.5733 5.5757 6.5401 6.5440 6.6233 6.6249 12.2657 12.2715 13.6323 13.6327 15.1710 15.1722 15.3852 15.3920 k =-0.3241 0.3583 0.5671 ( 8862 PWs) bands (ev): -36.8961 -36.8961 -36.8914 -36.8914 -11.1619 -11.1616 -10.4591 -10.4583 -7.9278 -7.9255 -7.7902 -7.7844 -2.5237 -2.5173 -1.3745 -1.3666 0.1839 0.1935 0.5907 0.5974 2.6741 2.6746 3.3345 3.3379 3.8332 3.8357 4.5930 4.5940 5.1931 5.1942 5.5608 5.5633 6.5417 6.5455 6.6241 6.6255 12.2418 12.2476 13.6535 13.6538 15.1548 15.1561 15.3948 15.3989 k =-0.3312 0.3661 0.5566 ( 8854 PWs) bands (ev): -36.8961 -36.8961 -36.8914 -36.8914 -11.1679 -11.1676 -10.4531 -10.4522 -7.9287 -7.9265 -7.7876 -7.7818 -2.5325 -2.5261 -1.3569 -1.3490 0.1730 0.1826 0.5919 0.5985 2.6707 2.6711 3.3486 3.3518 3.8240 3.8263 4.6156 4.6165 5.1693 5.1702 5.5509 5.5533 6.5429 6.5467 6.6246 6.6259 12.2231 12.2289 13.6705 13.6707 15.1413 15.1426 15.4015 15.4055 k =-0.3382 0.3739 0.5461 ( 8862 PWs) bands (ev): -36.8961 -36.8961 -36.8914 -36.8914 -11.1722 -11.1719 -10.4487 -10.4479 -7.9294 -7.9272 -7.7856 -7.7798 -2.5388 -2.5324 -1.3441 -1.3362 0.1651 0.1746 0.5928 0.5993 2.6682 2.6686 3.3592 3.3622 3.8170 3.8192 4.6332 4.6338 5.1512 5.1519 5.5436 5.5461 6.5438 6.5475 6.6249 6.6261 12.2096 12.2155 13.6830 13.6832 15.1312 15.1326 15.4056 15.4111 k =-0.3452 0.3817 0.5356 ( 8862 PWs) bands (ev): -36.8961 -36.8961 -36.8914 -36.8914 -11.1748 -11.1745 -10.4461 -10.4453 -7.9298 -7.9276 -7.7845 -7.7787 -2.5426 -2.5362 -1.3363 -1.3284 0.1602 0.1698 0.5933 0.5998 2.6667 2.6671 3.3657 3.3686 3.8126 3.8147 4.6444 4.6448 5.1398 5.1402 5.5392 5.5417 6.5443 6.5480 6.6251 6.6262 12.2015 12.2074 13.6907 13.6908 15.1250 15.1264 15.4079 15.4143 k =-0.3523 0.3894 0.5251 ( 8864 PWs) bands (ev): -36.8961 -36.8961 -36.8914 -36.8914 -11.1756 -11.1753 -10.4453 -10.4444 -7.9299 -7.9278 -7.7841 -7.7783 -2.5439 -2.5375 -1.3337 -1.3258 0.1586 0.1681 0.5935 0.6000 2.6662 2.6666 3.3680 3.3708 3.8111 3.8131 4.6483 4.6485 5.1359 5.1361 5.5377 5.5402 6.5445 6.5482 6.6252 6.6263 12.1988 12.2047 13.6933 13.6933 15.1229 15.1243 15.4086 15.4151 k =-0.3523 0.3894 0.5251 ( 8864 PWs) bands (ev): -36.8961 -36.8961 -36.8914 -36.8914 -11.1756 -11.1753 -10.4453 -10.4444 -7.9299 -7.9278 -7.7841 -7.7783 -2.5439 -2.5375 -1.3337 -1.3258 0.1586 0.1681 0.5935 0.6000 2.6662 2.6666 3.3680 3.3708 3.8111 3.8131 4.6483 4.6485 5.1359 5.1361 5.5377 5.5402 6.5445 6.5482 6.6252 6.6263 12.1988 12.2047 13.6933 13.6933 15.1229 15.1243 15.4086 15.4151 k =-0.3451 0.3815 0.5144 ( 8860 PWs) bands (ev): -36.8964 -36.8964 -36.8911 -36.8911 -11.2061 -11.2058 -10.4062 -10.4053 -7.9308 -7.9285 -7.7766 -7.7705 -2.6039 -2.5976 -1.2983 -1.2901 0.1290 0.1388 0.5981 0.6045 2.6467 2.6470 3.3524 3.3551 3.8427 3.8448 4.6571 4.6574 5.1692 5.1695 5.6051 5.6076 6.5096 6.5134 6.6115 6.6126 12.1730 12.1791 13.7330 13.7330 15.1691 15.1724 15.4231 15.4347 k =-0.3379 0.3735 0.5037 ( 8858 PWs) bands (ev): -36.8966 -36.8966 -36.8909 -36.8909 -11.2375 -11.2372 -10.3653 -10.3644 -7.9311 -7.9286 -7.7689 -7.7625 -2.6656 -2.6593 -1.2637 -1.2552 0.0988 0.1089 0.6023 0.6085 2.6296 2.6298 3.3407 3.3432 3.8749 3.8771 4.6666 4.6671 5.1986 5.1991 5.6723 5.6748 6.4720 6.4759 6.5974 6.5986 12.1518 12.1580 13.7699 13.7699 15.1889 15.1951 15.4635 15.4724 k =-0.3307 0.3656 0.4930 ( 8854 PWs) bands (ev): -36.8968 -36.8968 -36.8907 -36.8907 -11.2697 -11.2695 -10.3228 -10.3218 -7.9307 -7.9280 -7.7611 -7.7544 -2.7287 -2.7225 -1.2300 -1.2214 0.0682 0.0786 0.6060 0.6121 2.6148 2.6149 3.3331 3.3355 3.9077 3.9100 4.6769 4.6776 5.2245 5.2251 5.7389 5.7414 6.4317 6.4356 6.5829 6.5842 12.1353 12.1416 13.8029 13.8030 15.1884 15.1969 15.5309 15.5377 k =-0.3235 0.3577 0.4823 ( 8866 PWs) bands (ev): -36.8971 -36.8971 -36.8904 -36.8904 -11.3027 -11.3024 -10.2786 -10.2775 -7.9297 -7.9268 -7.7531 -7.7461 -2.7931 -2.7870 -1.1976 -1.1887 0.0373 0.0479 0.6092 0.6151 2.6021 2.6022 3.3300 3.3321 3.9410 3.9433 4.6881 4.6889 5.2468 5.2476 5.8044 5.8070 6.3889 6.3929 6.5681 6.5695 12.1236 12.1300 13.8310 13.8311 15.1792 15.1890 15.6136 15.6192 k =-0.3163 0.3497 0.4716 ( 8864 PWs) bands (ev): -36.8973 -36.8973 -36.8902 -36.8902 -11.3363 -11.3361 -10.2327 -10.2316 -7.9280 -7.9249 -7.7449 -7.7377 -2.8588 -2.8528 -1.1664 -1.1573 0.0062 0.0170 0.6118 0.6174 2.5912 2.5915 3.3314 3.3334 3.9745 3.9769 4.7000 4.7010 5.2659 5.2668 5.8685 5.8712 6.3438 6.3478 6.5530 6.5544 12.1169 12.1235 13.8530 13.8532 15.1679 15.1785 15.7047 15.7098 k =-0.3091 0.3418 0.4608 ( 8860 PWs) bands (ev): -36.8976 -36.8976 -36.8899 -36.8899 -11.3705 -11.3703 -10.1852 -10.1841 -7.9257 -7.9223 -7.7366 -7.7291 -2.9257 -2.9198 -1.1365 -1.1273 -0.0251 -0.0140 0.6138 0.6192 2.5821 2.5826 3.3377 3.3394 4.0082 4.0107 4.7128 4.7140 5.2817 5.2827 5.9308 5.9335 6.2965 6.3006 6.5376 6.5391 12.1153 12.1221 13.8676 13.8679 15.1577 15.1687 15.8006 15.8059 k =-0.3020 0.3338 0.4501 ( 8870 PWs) bands (ev): -36.8978 -36.8978 -36.8897 -36.8897 -11.4052 -11.4050 -10.1361 -10.1349 -7.9227 -7.9191 -7.7283 -7.7205 -2.9937 -2.9879 -1.1081 -1.0987 -0.0564 -0.0452 0.6150 0.6201 2.5746 2.5752 3.3489 3.3503 4.0418 4.0445 4.7263 4.7278 5.2944 5.2955 5.9910 5.9937 6.2475 6.2516 6.5220 6.5236 12.1190 12.1259 13.8734 13.8739 15.1498 15.1610 15.7629 15.7715 k =-0.2948 0.3259 0.4394 ( 8876 PWs) bands (ev): -36.8981 -36.8981 -36.8894 -36.8894 -11.4403 -11.4401 -10.0854 -10.0842 -7.9191 -7.9152 -7.7198 -7.7117 -3.0626 -3.0570 -1.0812 -1.0717 -0.0877 -0.0763 0.6155 0.6203 2.5685 2.5694 3.3650 3.3663 4.0752 4.0780 4.7407 4.7425 5.3040 5.3053 6.0487 6.0515 6.1968 6.2010 6.5062 6.5079 12.1280 12.1350 13.8690 13.8698 15.1448 15.1561 15.6612 15.6693 k =-0.2876 0.3179 0.4287 ( 8880 PWs) bands (ev): -36.8984 -36.8984 -36.8892 -36.8892 -11.4757 -11.4756 -10.0332 -10.0319 -7.9149 -7.9108 -7.7113 -7.7030 -3.1326 -3.1271 -1.0558 -1.0462 -0.1188 -0.1072 0.6152 0.6197 2.5638 2.5648 3.3862 3.3872 4.1082 4.1111 4.7560 4.7580 5.3106 5.3120 6.1038 6.1066 6.1451 6.1492 6.4903 6.4920 12.1423 12.1495 13.8532 13.8543 15.1429 15.1543 15.5654 15.5728 k =-0.2804 0.3100 0.4180 ( 8874 PWs) bands (ev): -36.8986 -36.8986 -36.8889 -36.8889 -11.5114 -11.5113 -9.9794 -9.9782 -7.9101 -7.9057 -7.7028 -7.6942 -3.2033 -3.1980 -1.0318 -1.0222 -0.1497 -0.1379 0.6140 0.6181 2.5603 2.5616 3.4123 3.4131 4.1404 4.1435 4.7721 4.7745 5.3144 5.3159 6.0922 6.0965 6.1561 6.1588 6.4741 6.4760 12.1621 12.1694 13.8250 13.8265 15.1442 15.1556 15.4783 15.4849 k =-0.2732 0.3020 0.4072 ( 8874 PWs) bands (ev): -36.8989 -36.8989 -36.8886 -36.8886 -11.5472 -11.5471 -9.9242 -9.9229 -7.9047 -7.9001 -7.6942 -7.6854 -3.2749 -3.2698 -1.0094 -0.9997 -0.1802 -0.1684 0.6118 0.6156 2.5580 2.5595 3.4432 3.4438 4.1717 4.1749 4.7892 4.7919 5.3153 5.3169 6.0390 6.0433 6.2050 6.2078 6.4579 6.4598 12.1872 12.1947 13.7839 13.7858 15.1485 15.1599 15.4008 15.4065 k =-0.2660 0.2941 0.3965 ( 8868 PWs) bands (ev): -36.8992 -36.8992 -36.8884 -36.8884 -11.5831 -11.5830 -9.8675 -9.8662 -7.8988 -7.8940 -7.6857 -7.6766 -3.3473 -3.3423 -0.9883 -0.9786 -0.2103 -0.1984 0.6086 0.6121 2.5569 2.5586 3.4787 3.4792 4.2018 4.2052 4.8073 4.8103 5.3135 5.3152 5.9858 5.9900 6.2506 6.2535 6.4417 6.4436 12.2178 12.2254 13.7299 13.7323 15.1558 15.1671 15.3330 15.3378 k =-0.2588 0.2861 0.3858 ( 8872 PWs) bands (ev): -36.8994 -36.8994 -36.8881 -36.8881 -11.6190 -11.6189 -9.8094 -9.8080 -7.8924 -7.8873 -7.6771 -7.6678 -3.4203 -3.4155 -0.9686 -0.9589 -0.2400 -0.2279 0.6044 0.6074 2.5570 2.5589 3.5186 3.5189 4.2303 4.2338 4.8264 4.8298 5.3091 5.3109 5.9328 5.9371 6.2927 6.2956 6.4254 6.4274 12.2537 12.2615 13.6636 13.6665 15.1658 15.1770 15.2744 15.2782 k =-0.2516 0.2782 0.3751 ( 8868 PWs) bands (ev): -36.8997 -36.8997 -36.8878 -36.8878 -11.6548 -11.6547 -9.7499 -9.7485 -7.8856 -7.8803 -7.6686 -7.6590 -3.4939 -3.4893 -0.9501 -0.9405 -0.2690 -0.2569 0.5990 0.6017 2.5583 2.5604 3.5627 3.5629 4.2569 4.2606 4.8467 4.8504 5.3021 5.3040 5.8807 5.8850 6.3311 6.3340 6.4091 6.4113 12.2950 12.3028 13.5862 13.5895 15.1779 15.1895 15.2244 15.2268 k =-0.2444 0.2702 0.3644 ( 8864 PWs) bands (ev): -36.9000 -36.9000 -36.8876 -36.8876 -11.6904 -11.6903 -9.6891 -9.6877 -7.8784 -7.8728 -7.6601 -7.6503 -3.5681 -3.5637 -0.9328 -0.9232 -0.2974 -0.2852 0.5925 0.5948 2.5608 2.5631 3.6106 3.6106 4.2813 4.2851 4.8681 4.8722 5.2928 5.2947 5.8297 5.8340 6.3656 6.3684 6.3930 6.3953 12.3414 12.3494 13.4992 13.5028 15.1773 15.1821 15.1964 15.2044 k =-0.2373 0.2623 0.3537 ( 8868 PWs) bands (ev): -36.9003 -36.9003 -36.8873 -36.8873 -11.7257 -11.7257 -9.6270 -9.6256 -7.8708 -7.8650 -7.6517 -7.6417 -3.6428 -3.6386 -0.9166 -0.9071 -0.3251 -0.3128 0.5848 0.5866 2.5646 2.5671 3.6619 3.6619 4.3032 4.3071 4.8908 4.8952 5.2812 5.2831 5.7803 5.7847 6.3766 6.3787 6.3966 6.3997 12.3928 12.4010 13.4042 13.4081 15.1410 15.1433 15.2117 15.2213 k =-0.2301 0.2543 0.3429 ( 8858 PWs) bands (ev): -36.9005 -36.9005 -36.8870 -36.8870 -11.7608 -11.7607 -9.5637 -9.5623 -7.8628 -7.8568 -7.6434 -7.6332 -3.7180 -3.7140 -0.9014 -0.8919 -0.3520 -0.3396 0.5758 0.5772 2.5698 2.5724 3.7163 3.7164 4.3222 4.3261 4.9149 4.9196 5.2674 5.2694 5.7330 5.7373 6.3608 6.3631 6.4232 6.4261 12.4491 12.4575 13.3029 13.3070 15.1075 15.1087 15.2305 15.2402 k =-0.2229 0.2464 0.3322 ( 8866 PWs) bands (ev): -36.9008 -36.9008 -36.8868 -36.8868 -11.7954 -11.7954 -9.4992 -9.4977 -7.8546 -7.8484 -7.6352 -7.6248 -3.7936 -3.7898 -0.8870 -0.8776 -0.3779 -0.3656 0.5654 0.5664 2.5762 2.5790 3.7735 3.7737 4.3380 4.3420 4.9403 4.9453 5.2516 5.2537 5.6880 5.6924 6.3451 6.3475 6.4458 6.4487 12.5100 12.5186 13.1968 13.2010 15.0768 15.0774 15.2512 15.2607 k =-0.2157 0.2384 0.3215 ( 8860 PWs) bands (ev): -36.9011 -36.9011 -36.8865 -36.8865 -11.8296 -11.8296 -9.4336 -9.4321 -7.8462 -7.8398 -7.6271 -7.6166 -3.8696 -3.8660 -0.8733 -0.8641 -0.4030 -0.3906 0.5538 0.5543 2.5841 2.5870 3.8332 3.8334 4.3504 4.3544 4.9671 4.9724 5.2340 5.2361 5.6458 5.6503 6.3297 6.3321 6.4644 6.4673 12.5750 12.5840 13.0876 13.0916 15.0480 15.0480 15.2734 15.2828 k =-0.2085 0.2305 0.3108 ( 8864 PWs) bands (ev): -36.9013 -36.9013 -36.8862 -36.8862 -11.8633 -11.8632 -9.3669 -9.3654 -7.8376 -7.8310 -7.6191 -7.6084 -3.9459 -3.9425 -0.8604 -0.8513 -0.4270 -0.4146 0.5408 0.5409 2.5933 2.5963 3.8948 3.8950 4.3593 4.3632 4.9952 5.0008 5.2148 5.2169 5.6067 5.6111 6.3145 6.3171 6.4789 6.4819 12.6434 12.6531 12.9769 12.9803 15.0195 15.0200 15.2970 15.3061 k =-0.2013 0.2225 0.3001 ( 8864 PWs) bands (ev): -36.9016 -36.9016 -36.8860 -36.8860 -11.8963 -11.8963 -9.2993 -9.2977 -7.8289 -7.8220 -7.6112 -7.6004 -4.0225 -4.0193 -0.8480 -0.8391 -0.4500 -0.4376 0.5260 0.5264 2.6039 2.6070 3.9581 3.9583 4.3646 4.3685 5.0246 5.0303 5.1941 5.1962 5.5707 5.5753 6.2998 6.3024 6.4895 6.4925 12.7115 12.7234 12.8688 12.8702 14.9908 14.9916 15.3217 15.3305 k =-0.1941 0.2146 0.2894 ( 8860 PWs) bands (ev): -36.9019 -36.9019 -36.8857 -36.8857 -11.9287 -11.9287 -9.2306 -9.2290 -7.8200 -7.8130 -7.6035 -7.5926 -4.0993 -4.0963 -0.8361 -0.8273 -0.4718 -0.4595 0.5098 0.5106 2.6159 2.6191 4.0226 4.0228 4.3664 4.3701 5.0551 5.0610 5.1721 5.1742 5.5382 5.5428 6.2854 6.2882 6.4963 6.4992 12.7243 12.7376 12.8192 12.8192 14.9605 14.9614 15.3298 15.3325 k =-0.1869 0.2066 0.2786 ( 8854 PWs) bands (ev): -36.9021 -36.9021 -36.8855 -36.8855 -11.9604 -11.9604 -9.1611 -9.1595 -7.8111 -7.8040 -7.5959 -7.5850 -4.1763 -4.1735 -0.8247 -0.8160 -0.4925 -0.4802 0.4923 0.4935 2.6293 2.6325 4.0878 4.0881 4.3649 4.3684 5.0865 5.0926 5.1492 5.1512 5.5090 5.5137 6.2716 6.2744 6.4993 6.5022 12.6247 12.6327 12.8851 12.8903 14.9275 14.9283 15.2837 15.2860 k =-0.1797 0.1987 0.2679 ( 8852 PWs) bands (ev): -36.9024 -36.9024 -36.8852 -36.8852 -11.9914 -11.9914 -9.0909 -9.0892 -7.8022 -7.7950 -7.5885 -7.5776 -4.2534 -4.2508 -0.8135 -0.8051 -0.5119 -0.4997 0.4734 0.4750 2.6440 2.6473 4.1535 4.1538 4.3602 4.3634 5.1179 5.1241 5.1262 5.1282 5.4832 5.4880 6.2583 6.2612 6.4987 6.5015 12.5143 12.5212 12.9652 12.9714 14.8909 14.8914 15.2478 15.2497 k =-0.1725 0.1907 0.2572 ( 8854 PWs) bands (ev): -36.9026 -36.9026 -36.8850 -36.8850 -12.0215 -12.0215 -9.0199 -9.0183 -7.7934 -7.7860 -7.5813 -7.5703 -4.3305 -4.3281 -0.8027 -0.7944 -0.5301 -0.5180 0.4531 0.4552 2.6600 2.6633 4.2191 4.2193 4.3526 4.3557 5.1008 5.1029 5.1517 5.1581 5.4606 5.4655 6.2456 6.2485 6.4947 6.4975 12.4039 12.4103 13.0484 13.0549 14.8511 14.8511 15.2226 15.2239 k =-0.1654 0.1828 0.2465 ( 8866 PWs) bands (ev): -36.9029 -36.9029 -36.8848 -36.8848 -12.0507 -12.0507 -8.9484 -8.9467 -7.7846 -7.7771 -7.5743 -7.5633 -4.4076 -4.4054 -0.7921 -0.7840 -0.5470 -0.5350 0.4317 0.4342 2.6773 2.6806 4.2840 4.2843 4.3427 4.3455 5.0765 5.0784 5.1846 5.1913 5.4411 5.4462 6.2336 6.2365 6.4875 6.4903 12.2949 12.3010 13.1328 13.1394 14.8084 14.8090 15.2075 15.2082 k =-0.1582 0.1749 0.2358 ( 8866 PWs) bands (ev): -36.9031 -36.9031 -36.8845 -36.8845 -12.0791 -12.0790 -8.8763 -8.8746 -7.7759 -7.7684 -7.5674 -7.5565 -4.4847 -4.4827 -0.7817 -0.7738 -0.5626 -0.5507 0.4091 0.4120 2.6957 2.6990 4.3306 4.3333 4.3480 4.3480 5.0524 5.0543 5.2176 5.2246 5.4244 5.4299 6.2222 6.2252 6.4774 6.4801 12.1881 12.1939 13.2172 13.2237 14.7654 14.7667 15.2015 15.2017 k =-0.1510 0.1669 0.2251 ( 8860 PWs) bands (ev): -36.9033 -36.9033 -36.8843 -36.8843 -12.1064 -12.1064 -8.8039 -8.8022 -7.7673 -7.7598 -7.5608 -7.5500 -4.5615 -4.5597 -0.7715 -0.7638 -0.5768 -0.5651 0.3853 0.3887 2.7151 2.7184 4.3172 4.3196 4.4098 4.4098 5.0292 5.0309 5.2500 5.2576 5.4105 5.4164 6.2115 6.2146 6.4646 6.4673 12.0839 12.0895 13.3000 13.3062 14.7244 14.7264 15.2033 15.2035 k =-0.1438 0.1590 0.2143 ( 8868 PWs) bands (ev): -36.9036 -36.9036 -36.8841 -36.8841 -12.1328 -12.1328 -8.7312 -8.7295 -7.7590 -7.7515 -7.5543 -7.5436 -4.6381 -4.6365 -0.7615 -0.7539 -0.5896 -0.5781 0.3606 0.3643 2.7356 2.7388 4.3026 4.3047 4.4688 4.4688 5.0076 5.0092 5.2813 5.2898 5.3992 5.4061 6.2016 6.2047 6.4494 6.4520 11.9827 11.9881 13.3794 13.3852 14.6879 14.6907 15.2118 15.2125 k =-0.1366 0.1510 0.2036 ( 8862 PWs) bands (ev): -36.9038 -36.9038 -36.8839 -36.8839 -12.1581 -12.1581 -8.6584 -8.6567 -7.7508 -7.7434 -7.5481 -7.5376 -4.7143 -4.7129 -0.7517 -0.7442 -0.6010 -0.5898 0.3351 0.3391 2.7568 2.7601 4.2872 4.2891 4.5237 4.5238 4.9887 4.9902 5.3100 5.3198 5.3916 5.3997 6.1925 6.1956 6.4321 6.4347 11.8849 11.8900 13.4532 13.4586 14.6587 14.6623 15.2266 15.2276 k =-0.1294 0.1431 0.1929 ( 8866 PWs) bands (ev): -36.9040 -36.9040 -36.8837 -36.8837 -12.1823 -12.1823 -8.5857 -8.5840 -7.7430 -7.7356 -7.5421 -7.5318 -4.7901 -4.7888 -0.7420 -0.7347 -0.6110 -0.6001 0.3088 0.3131 2.7788 2.7820 4.2715 4.2732 4.5729 4.5731 4.9742 4.9756 5.3326 5.3433 5.3913 5.4004 6.1842 6.1873 6.4131 6.4156 11.7907 11.7956 13.5191 13.5238 14.6395 14.6441 15.2469 15.2482 k =-0.1222 0.1351 0.1822 ( 8878 PWs) bands (ev): -36.9042 -36.9042 -36.8835 -36.8835 -12.2054 -12.2054 -8.5132 -8.5115 -7.7353 -7.7281 -7.5363 -7.5263 -4.8651 -4.8640 -0.7325 -0.7253 -0.6196 -0.6091 0.2819 0.2866 2.8014 2.8045 4.2557 4.2572 4.6139 4.6143 4.9662 4.9673 5.3441 5.3520 5.4063 5.4125 6.1767 6.1798 6.3926 6.3950 11.7003 11.7050 13.5742 13.5781 14.6334 14.6389 15.2721 15.2737 k =-0.1150 0.1272 0.1715 ( 8874 PWs) bands (ev): -36.9044 -36.9044 -36.8833 -36.8833 -12.2274 -12.2274 -8.4411 -8.4395 -7.7280 -7.7210 -7.5308 -7.5210 -4.9394 -4.9384 -0.7233 -0.7162 -0.6268 -0.6167 0.2547 0.2596 2.8243 2.8274 4.2402 4.2416 4.6443 4.6448 4.9672 4.9681 5.3459 5.3505 5.4317 5.4345 6.1700 6.1730 6.3711 6.3734 11.6140 11.6185 13.6162 13.6193 14.6427 14.6491 15.3020 15.3037 k =-0.1078 0.1192 0.1608 ( 8878 PWs) bands (ev): -36.9046 -36.9046 -36.8831 -36.8831 -12.2482 -12.2481 -8.3697 -8.3680 -7.7210 -7.7142 -7.5255 -7.5161 -5.0127 -5.0119 -0.7144 -0.7073 -0.6326 -0.6230 0.2272 0.2323 2.8475 2.8505 4.2252 4.2264 4.6623 4.6631 4.9787 4.9793 5.3435 5.3462 5.4595 5.4605 6.1640 6.1670 6.3489 6.3511 11.5321 11.5363 13.6439 13.6462 14.6686 14.6759 15.3358 15.3377 k =-0.1007 0.1113 0.1500 ( 8886 PWs) bands (ev): -36.9047 -36.9047 -36.8830 -36.8830 -12.2677 -12.2677 -8.2991 -8.2975 -7.7144 -7.7078 -7.5205 -7.5115 -5.0848 -5.0841 -0.7058 -0.6987 -0.6370 -0.6281 0.1997 0.2050 2.8707 2.8736 4.2108 4.2119 4.6685 4.6694 5.0001 5.0005 5.3398 5.3414 5.4872 5.4872 6.1588 6.1617 6.3263 6.3284 11.4546 11.4586 13.6576 13.6591 14.7108 14.7188 15.3734 15.3753 k =-0.0935 0.1033 0.1393 ( 8896 PWs) bands (ev): -36.9049 -36.9049 -36.8828 -36.8828 -12.2861 -12.2860 -8.2298 -8.2283 -7.7081 -7.7018 -7.5157 -7.5071 -5.1553 -5.1548 -0.6977 -0.6905 -0.6400 -0.6319 0.1724 0.1778 2.8938 2.8965 4.1973 4.1982 4.6655 4.6665 5.0288 5.0289 5.3356 5.3366 5.5136 5.5141 6.1543 6.1572 6.3038 6.3058 11.3818 11.3855 13.6589 13.6599 14.7675 14.7759 15.4142 15.4161 k =-0.0863 0.0954 0.1286 ( 8896 PWs) bands (ev): -36.9051 -36.9051 -36.8827 -36.8827 -12.3031 -12.3031 -8.1620 -8.1605 -7.7022 -7.6962 -7.5112 -7.5031 -5.2242 -5.2238 -0.6900 -0.6826 -0.6417 -0.6345 0.1455 0.1510 2.9165 2.9191 4.1847 4.1854 4.6565 4.6574 5.0613 5.0614 5.3314 5.3320 5.5389 5.5398 6.1505 6.1532 6.2816 6.2835 11.3138 11.3173 13.6505 13.6511 14.8357 14.8444 15.4577 15.4596 k =-0.0791 0.0874 0.1179 ( 8890 PWs) bands (ev): -36.9052 -36.9052 -36.8826 -36.8826 -12.3189 -12.3189 -8.0962 -8.0947 -7.6967 -7.6910 -7.5070 -7.4994 -5.2908 -5.2905 -0.6829 -0.6753 -0.6422 -0.6359 0.1193 0.1248 2.9386 2.9410 4.1731 4.1737 4.6439 4.6449 5.0952 5.0952 5.3272 5.3277 5.5630 5.5640 6.1473 6.1499 6.2602 6.2619 11.2508 11.2540 13.6352 13.6356 14.9125 14.9213 15.5034 15.5052 k =-0.0719 0.0795 0.1072 ( 8898 PWs) bands (ev): -36.9053 -36.9053 -36.8824 -36.8824 -12.3334 -12.3334 -8.0327 -8.0313 -7.6916 -7.6863 -7.5031 -7.4960 -5.3550 -5.3548 -0.6765 -0.6685 -0.6414 -0.6363 0.0940 0.0994 2.9598 2.9621 4.1625 4.1630 4.6296 4.6305 5.1285 5.1286 5.3233 5.3236 5.5855 5.5866 6.1446 6.1471 6.2398 6.2414 11.1929 11.1958 13.6155 13.6157 14.9949 15.0036 15.5508 15.5524 k =-0.0647 0.0715 0.0965 ( 8892 PWs) bands (ev): -36.9054 -36.9054 -36.8823 -36.8823 -12.3465 -12.3465 -7.9721 -7.9707 -7.6869 -7.6821 -7.4994 -7.4930 -5.4161 -5.4160 -0.6707 -0.6624 -0.6396 -0.6358 0.0699 0.0752 2.9800 2.9821 4.1530 4.1534 4.6149 4.6157 5.1601 5.1602 5.3195 5.3197 5.6063 5.6074 6.1425 6.1447 6.2208 6.2223 11.1402 11.1429 13.5934 13.5935 15.0806 15.0889 15.5989 15.6004 k =-0.0575 0.0636 0.0857 ( 8890 PWs) bands (ev): -36.9055 -36.9055 -36.8822 -36.8822 -12.3583 -12.3583 -7.9149 -7.9137 -7.6826 -7.6783 -7.4961 -7.4903 -5.4736 -5.4736 -0.6655 -0.6570 -0.6370 -0.6343 0.0473 0.0523 2.9988 3.0008 4.1445 4.1449 4.6004 4.6011 5.1892 5.1893 5.3161 5.3162 5.6252 5.6263 6.1407 6.1428 6.2034 6.2047 11.0928 11.0952 13.5706 13.5706 15.1672 15.1751 15.6437 15.6471 k =-0.0503 0.0556 0.0750 ( 8882 PWs) bands (ev): -36.9056 -36.9056 -36.8821 -36.8821 -12.3688 -12.3688 -7.8618 -7.8607 -7.6788 -7.6750 -7.4931 -7.4880 -5.5270 -5.5270 -0.6608 -0.6525 -0.6339 -0.6322 0.0265 0.0312 3.0162 3.0179 4.1372 4.1375 4.5867 4.5874 5.2153 5.2154 5.3129 5.3130 5.6422 5.6433 6.1394 6.1413 6.1878 6.1889 11.0508 11.0529 13.5482 13.5482 15.2528 15.2601 15.6431 15.6503 k =-0.0431 0.0477 0.0643 ( 8870 PWs) bands (ev): -36.9057 -36.9057 -36.8821 -36.8821 -12.3779 -12.3779 -7.8135 -7.8125 -7.6754 -7.6721 -7.4904 -7.4860 -5.5755 -5.5755 -0.6566 -0.6488 -0.6306 -0.6296 0.0077 0.0119 3.0317 3.0332 4.1308 4.1311 4.5743 4.5749 5.2380 5.2381 5.3101 5.3101 5.6571 5.6581 6.1384 6.1400 6.1742 6.1751 11.0142 11.0160 13.5273 13.5273 15.3355 15.3420 15.6400 15.6464 k =-0.0359 0.0397 0.0536 ( 8866 PWs) bands (ev): -36.9058 -36.9058 -36.8820 -36.8820 -12.3856 -12.3856 -7.7708 -7.7700 -7.6724 -7.6697 -7.4881 -7.4844 -5.6185 -5.6184 -0.6527 -0.6457 -0.6274 -0.6269 -0.0088 -0.0050 3.0453 3.0466 4.1255 4.1257 4.5634 4.5639 5.2571 5.2573 5.3077 5.3077 5.6699 5.6708 6.1376 6.1391 6.1626 6.1634 10.9832 10.9847 13.5085 13.5086 15.4130 15.4187 15.6378 15.6433 k =-0.0288 0.0318 0.0429 ( 8869 PWs) bands (ev): -36.9058 -36.9058 -36.8819 -36.8819 -12.3919 -12.3919 -7.7344 -7.7338 -7.6698 -7.6676 -7.4861 -7.4831 -5.6550 -5.6549 -0.6493 -0.6434 -0.6245 -0.6242 -0.0226 -0.0195 3.0568 3.0578 4.1212 4.1214 4.5542 4.5546 5.2726 5.2727 5.3058 5.3058 5.6805 5.6812 6.1371 6.1383 6.1532 6.1538 10.9578 10.9590 13.4926 13.4926 15.4830 15.4877 15.6365 15.6410 k =-0.0216 0.0238 0.0322 ( 8865 PWs) bands (ev): -36.9059 -36.9059 -36.8819 -36.8819 -12.3968 -12.3968 -7.7053 -7.7050 -7.6675 -7.6660 -7.4844 -7.4822 -5.6844 -5.6843 -0.6463 -0.6417 -0.6221 -0.6220 -0.0336 -0.0311 3.0659 3.0667 4.1179 4.1180 4.5469 4.5472 5.2843 5.2844 5.3047 5.3047 5.6888 5.6894 6.1368 6.1377 6.1459 6.1464 10.9380 10.9389 13.4798 13.4798 15.5423 15.5458 15.6365 15.6398 k =-0.0144 0.0159 0.0214 ( 8855 PWs) bands (ev): -36.9059 -36.9059 -36.8819 -36.8819 -12.4004 -12.4003 -7.6845 -7.6845 -7.6651 -7.6643 -7.4832 -7.4816 -5.7059 -5.7058 -0.6439 -0.6408 -0.6203 -0.6202 -0.0414 -0.0398 3.0725 3.0731 4.1156 4.1157 4.5417 4.5419 5.2919 5.2919 5.3045 5.3045 5.6948 5.6952 6.1365 6.1372 6.1409 6.1411 10.9239 10.9245 13.4704 13.4704 15.5866 15.5887 15.6389 15.6408 k =-0.0072 0.0079 0.0107 ( 8851 PWs) bands (ev): -36.9059 -36.9059 -36.8818 -36.8818 -12.4025 -12.4025 -7.6736 -7.6734 -7.6619 -7.6617 -7.4822 -7.4815 -5.7191 -5.7190 -0.6421 -0.6405 -0.6192 -0.6191 -0.0461 -0.0452 3.0766 3.0769 4.1142 4.1142 4.5385 4.5386 5.2954 5.2954 5.3054 5.3054 5.6985 5.6987 6.1363 6.1367 6.1380 6.1380 10.9155 10.9158 13.4647 13.4647 15.6108 15.6113 15.6453 15.6457 k = 0.0000 0.0000 0.0000 ( 8849 PWs) bands (ev): -36.9059 -36.9059 -36.8818 -36.8818 -12.4032 -12.4032 -7.6708 -7.6708 -7.6599 -7.6599 -7.4817 -7.4817 -5.7235 -5.7235 -0.6409 -0.6409 -0.6188 -0.6188 -0.0473 -0.0473 3.0781 3.0781 4.1137 4.1137 4.5375 4.5375 5.2963 5.2963 5.3061 5.3061 5.6998 5.6998 6.1361 6.1361 6.1373 6.1373 10.9128 10.9128 13.4628 13.4628 15.6168 15.6168 15.6497 15.6497 k = 0.0000 0.0000 0.0000 ( 8849 PWs) bands (ev): -36.9059 -36.9059 -36.8818 -36.8818 -12.4032 -12.4032 -7.6708 -7.6708 -7.6599 -7.6599 -7.4817 -7.4817 -5.7235 -5.7235 -0.6409 -0.6409 -0.6188 -0.6188 -0.0473 -0.0473 3.0781 3.0781 4.1137 4.1137 4.5375 4.5375 5.2963 5.2963 5.3061 5.3061 5.6998 5.6998 6.1361 6.1361 6.1373 6.1373 10.9128 10.9128 13.4628 13.4628 15.6168 15.6168 15.6497 15.6497 k = 0.0114 0.0103-0.0000 ( 8849 PWs) bands (ev): -36.9059 -36.9059 -36.8818 -36.8818 -12.4023 -12.4023 -7.6711 -7.6711 -7.6601 -7.6601 -7.4886 -7.4886 -5.7162 -5.7162 -0.6397 -0.6397 -0.6176 -0.6176 -0.0484 -0.0484 3.0788 3.0788 4.1125 4.1125 4.5384 4.5384 5.2956 5.2956 5.3054 5.3054 5.6972 5.6972 6.1359 6.1359 6.1372 6.1372 10.9168 10.9168 13.4646 13.4646 15.5922 15.5922 15.6224 15.6224 k = 0.0227 0.0206-0.0000 ( 8857 PWs) bands (ev): -36.9059 -36.9059 -36.8819 -36.8819 -12.3998 -12.3998 -7.6719 -7.6719 -7.6610 -7.6610 -7.5089 -7.5089 -5.6946 -5.6946 -0.6362 -0.6362 -0.6141 -0.6141 -0.0517 -0.0517 3.0809 3.0809 4.1087 4.1087 4.5413 4.5413 5.2935 5.2935 5.3033 5.3033 5.6895 5.6895 6.1354 6.1354 6.1369 6.1369 10.9289 10.9289 13.4701 13.4701 15.5344 15.5344 15.5608 15.5608 k = 0.0341 0.0308-0.0000 ( 8857 PWs) bands (ev): -36.9059 -36.9059 -36.8819 -36.8819 -12.3957 -12.3957 -7.6733 -7.6733 -7.6623 -7.6623 -7.5417 -7.5417 -5.6596 -5.6596 -0.6303 -0.6303 -0.6083 -0.6083 -0.0572 -0.0572 3.0845 3.0845 4.1025 4.1025 4.5461 4.5461 5.2900 5.2900 5.2999 5.2999 5.6766 5.6766 6.1346 6.1346 6.1365 6.1365 10.9490 10.9490 13.4790 13.4790 15.4630 15.4630 15.4867 15.4867 k = 0.0455 0.0411 0.0000 ( 8869 PWs) bands (ev): -36.9058 -36.9058 -36.8820 -36.8820 -12.3899 -12.3899 -7.6753 -7.6753 -7.6643 -7.6643 -7.5856 -7.5856 -5.6127 -5.6127 -0.6222 -0.6222 -0.6002 -0.6002 -0.0649 -0.0649 3.0894 3.0894 4.0939 4.0939 4.5527 4.5527 5.2850 5.2850 5.2948 5.2948 5.6588 5.6588 6.1338 6.1338 6.1361 6.1361 10.9769 10.9769 13.4912 13.4912 15.3861 15.3861 15.4079 15.4079 k = 0.0568 0.0514-0.0000 ( 8853 PWs) bands (ev): -36.9057 -36.9057 -36.8820 -36.8820 -12.3824 -12.3824 -7.6783 -7.6783 -7.6667 -7.6667 -7.6386 -7.6386 -5.5554 -5.5554 -0.6117 -0.6117 -0.5898 -0.5898 -0.0747 -0.0747 3.0957 3.0957 4.0831 4.0831 4.5611 4.5611 5.2782 5.2782 5.2881 5.2881 5.6360 5.6360 6.1331 6.1331 6.1358 6.1358 11.0126 11.0126 13.5064 13.5064 15.3070 15.3070 15.3274 15.3274 k = 0.0682 0.0617-0.0000 ( 8853 PWs) bands (ev): -36.9057 -36.9057 -36.8821 -36.8821 -12.3732 -12.3732 -7.7032 -7.7032 -7.6783 -7.6783 -7.6696 -7.6696 -5.4892 -5.4892 -0.5989 -0.5989 -0.5772 -0.5772 -0.0866 -0.0866 3.1032 3.1032 4.0704 4.0704 4.5712 4.5712 5.2696 5.2696 5.2795 5.2795 5.6085 5.6085 6.1328 6.1328 6.1358 6.1358 11.0559 11.0559 13.5243 13.5243 15.2269 15.2269 15.2463 15.2463 k = 0.0795 0.0720-0.0000 ( 8861 PWs) bands (ev): -36.9056 -36.9056 -36.8822 -36.8822 -12.3624 -12.3624 -7.7701 -7.7701 -7.6829 -7.6829 -7.6731 -7.6731 -5.4157 -5.4157 -0.5839 -0.5839 -0.5623 -0.5623 -0.1006 -0.1006 3.1120 3.1120 4.0558 4.0558 4.5829 4.5829 5.2589 5.2589 5.2688 5.2688 5.5765 5.5765 6.1330 6.1330 6.1364 6.1364 11.1065 11.1065 13.5444 13.5444 15.1467 15.1467 15.1651 15.1651 k = 0.0909 0.0822 0.0000 ( 8877 PWs) bands (ev): -36.9054 -36.9054 -36.8823 -36.8823 -12.3499 -12.3499 -7.8435 -7.8435 -7.6869 -7.6869 -7.6770 -7.6770 -5.3361 -5.3361 -0.5668 -0.5668 -0.5453 -0.5453 -0.1166 -0.1166 3.1218 3.1218 4.0398 4.0398 4.5960 4.5960 5.2460 5.2460 5.2558 5.2558 5.5400 5.5400 6.1342 6.1342 6.1379 6.1379 11.1641 11.1641 13.5662 13.5662 15.0665 15.0665 15.0842 15.0842 k = 0.1023 0.0925-0.0000 ( 8885 PWs) bands (ev): -36.9053 -36.9053 -36.8825 -36.8825 -12.3358 -12.3358 -7.9212 -7.9212 -7.6913 -7.6913 -7.6814 -7.6814 -5.2514 -5.2514 -0.5475 -0.5475 -0.5262 -0.5262 -0.1346 -0.1346 3.1328 3.1328 4.0226 4.0226 4.6104 4.6104 5.2306 5.2306 5.2403 5.2403 5.4995 5.4995 6.1364 6.1364 6.1405 6.1405 11.2287 11.2287 13.5892 13.5892 14.9868 14.9868 15.0038 15.0038 k = 0.1136 0.1028-0.0000 ( 8886 PWs) bands (ev): -36.9052 -36.9052 -36.8826 -36.8826 -12.3201 -12.3201 -8.0025 -8.0025 -7.6960 -7.6960 -7.6862 -7.6862 -5.1626 -5.1626 -0.5261 -0.5261 -0.5051 -0.5051 -0.1546 -0.1546 3.1446 3.1446 4.0044 4.0044 4.6260 4.6260 5.2125 5.2125 5.2221 5.2221 5.4550 5.4550 6.1401 6.1401 6.1445 6.1445 11.2997 11.2997 13.6126 13.6126 14.9074 14.9074 14.9239 14.9239 k = 0.1250 0.1131-0.0000 ( 8886 PWs) bands (ev): -36.9050 -36.9050 -36.8828 -36.8828 -12.3026 -12.3026 -8.0863 -8.0863 -7.7010 -7.7010 -7.6914 -7.6914 -5.0703 -5.0703 -0.5028 -0.5028 -0.4819 -0.4819 -0.1765 -0.1765 3.1572 3.1572 3.9858 3.9858 4.6425 4.6425 5.1917 5.1917 5.2011 5.2011 5.4069 5.4069 6.1454 6.1454 6.1500 6.1500 11.3769 11.3769 13.6359 13.6359 14.8287 14.8287 14.8446 14.8446 k = 0.1364 0.1234-0.0000 ( 8878 PWs) bands (ev): -36.9048 -36.9048 -36.8829 -36.8829 -12.2836 -12.2836 -8.1723 -8.1723 -7.7064 -7.7064 -7.6970 -7.6970 -4.9753 -4.9753 -0.4775 -0.4775 -0.4568 -0.4568 -0.2003 -0.2003 3.1703 3.1703 3.9670 3.9670 4.6599 4.6599 5.1679 5.1679 5.1772 5.1772 5.3554 5.3554 6.1525 6.1525 6.1573 6.1573 11.4601 11.4601 13.6583 13.6583 14.7505 14.7505 14.7659 14.7659 k = 0.1477 0.1336-0.0000 ( 8882 PWs) bands (ev): -36.9046 -36.9046 -36.8831 -36.8831 -12.2629 -12.2629 -8.2599 -8.2599 -7.7122 -7.7122 -7.7029 -7.7029 -4.8780 -4.8780 -0.4504 -0.4504 -0.4299 -0.4299 -0.2258 -0.2258 3.1838 3.1838 3.9486 3.9486 4.6779 4.6779 5.1412 5.1412 5.1503 5.1503 5.3009 5.3009 6.1615 6.1615 6.1665 6.1665 11.5488 11.5488 13.6791 13.6791 14.6730 14.6730 14.6879 14.6879 k = 0.1591 0.1439-0.0000 ( 8874 PWs) bands (ev): -36.9044 -36.9044 -36.8833 -36.8833 -12.2405 -12.2405 -8.3487 -8.3487 -7.7182 -7.7182 -7.7091 -7.7091 -4.7789 -4.7789 -0.4216 -0.4216 -0.4013 -0.4013 -0.2531 -0.2531 3.1974 3.1974 3.9310 3.9310 4.6962 4.6962 5.1116 5.1116 5.1204 5.1204 5.2435 5.2435 6.1726 6.1726 6.1777 6.1777 11.6426 11.6426 13.6977 13.6977 14.5961 14.5961 14.6107 14.6107 k = 0.1705 0.1542-0.0000 ( 8882 PWs) bands (ev): -36.9042 -36.9042 -36.8835 -36.8835 -12.2165 -12.2165 -8.4383 -8.4383 -7.7245 -7.7245 -7.7156 -7.7156 -4.6782 -4.6782 -0.3913 -0.3913 -0.3710 -0.3710 -0.2818 -0.2818 3.2108 3.2108 3.9146 3.9146 4.7148 4.7148 5.0791 5.0791 5.0876 5.0876 5.1836 5.1836 6.1857 6.1857 6.1909 6.1909 11.7413 11.7413 13.7134 13.7134 14.5200 14.5200 14.5342 14.5342 k = 0.1818 0.1645 0.0000 ( 8878 PWs) bands (ev): -36.9040 -36.9040 -36.8837 -36.8837 -12.1909 -12.1909 -8.5285 -8.5285 -7.7310 -7.7310 -7.7223 -7.7223 -4.5763 -4.5763 -0.3603 -0.3603 -0.3392 -0.3392 -0.3113 -0.3113 3.2237 3.2237 3.9000 3.9000 4.7334 4.7334 5.0437 5.0437 5.0520 5.0520 5.1215 5.1215 6.2009 6.2009 6.2061 6.2061 11.8444 11.8444 13.7260 13.7260 14.4446 14.4446 14.4584 14.4584 k = 0.1932 0.1747 0.0000 ( 8878 PWs) bands (ev): -36.9037 -36.9037 -36.8840 -36.8840 -12.1637 -12.1637 -8.6191 -8.6191 -7.7376 -7.7376 -7.7292 -7.7292 -4.4735 -4.4735 -0.3503 -0.3503 -0.3205 -0.3205 -0.3056 -0.3056 3.2358 3.2358 3.8878 3.8878 4.7517 4.7517 5.0055 5.0055 5.0138 5.0138 5.0576 5.0576 6.2180 6.2180 6.2232 6.2232 11.9516 11.9516 13.7351 13.7351 14.3700 14.3700 14.3834 14.3834 k = 0.2045 0.1850-0.0000 ( 8874 PWs) bands (ev): -36.9035 -36.9035 -36.8842 -36.8842 -12.1348 -12.1348 -8.7099 -8.7099 -7.7445 -7.7445 -7.7363 -7.7363 -4.3700 -4.3700 -0.3816 -0.3816 -0.2883 -0.2883 -0.2710 -0.2710 3.2467 3.2467 3.8785 3.8785 4.7695 4.7695 4.9644 4.9644 4.9730 4.9730 4.9926 4.9926 6.2371 6.2371 6.2422 6.2422 12.0625 12.0625 13.7408 13.7408 14.2962 14.2962 14.3093 14.3093 k = 0.2159 0.1953-0.0000 ( 8886 PWs) bands (ev): -36.9032 -36.9032 -36.8845 -36.8845 -12.1044 -12.1044 -8.8007 -8.8007 -7.7514 -7.7514 -7.7435 -7.7435 -4.2659 -4.2659 -0.4169 -0.4169 -0.2525 -0.2525 -0.2352 -0.2352 3.2561 3.2561 3.8726 3.8726 4.7865 4.7865 4.9170 4.9170 4.9300 4.9300 4.9305 4.9305 6.2579 6.2579 6.2630 6.2630 12.1766 12.1766 13.7432 13.7432 14.2232 14.2232 14.2360 14.2360 k = 0.2273 0.2056-0.0000 ( 8886 PWs) bands (ev): -36.9029 -36.9029 -36.8848 -36.8848 -12.0723 -12.0723 -8.8914 -8.8914 -7.7584 -7.7584 -7.7508 -7.7508 -4.1615 -4.1615 -0.4540 -0.4540 -0.2153 -0.2153 -0.1982 -0.1982 3.2636 3.2636 3.8704 3.8704 4.8018 4.8018 4.8547 4.8547 4.8808 4.8808 4.8852 4.8852 6.2803 6.2803 6.2853 6.2853 12.2935 12.2935 13.7430 13.7430 14.1513 14.1513 14.1637 14.1637 k = 0.2386 0.2159-0.0000 ( 8894 PWs) bands (ev): -36.9026 -36.9026 -36.8850 -36.8850 -12.0386 -12.0386 -8.9818 -8.9818 -7.7655 -7.7655 -7.7581 -7.7581 -4.0568 -4.0568 -0.4929 -0.4929 -0.1771 -0.1771 -0.1603 -0.1603 3.2692 3.2692 3.8724 3.8724 4.7818 4.7818 4.8214 4.8214 4.8338 4.8338 4.8386 4.8386 6.3041 6.3041 6.3091 6.3091 12.4129 12.4129 13.7405 13.7405 14.0803 14.0803 14.0924 14.0924 k = 0.2500 0.2261-0.0000 ( 8894 PWs) bands (ev): -36.9023 -36.9023 -36.8853 -36.8853 -12.0034 -12.0034 -9.0719 -9.0719 -7.7726 -7.7726 -7.7654 -7.7654 -3.9521 -3.9521 -0.5333 -0.5333 -0.1380 -0.1380 -0.1217 -0.1217 3.2729 3.2729 3.8787 3.8787 4.7138 4.7138 4.7857 4.7857 4.7903 4.7903 4.8339 4.8339 6.3292 6.3292 6.3341 6.3341 12.5343 12.5343 13.7365 13.7365 14.0105 14.0105 14.0223 14.0223 k = 0.2614 0.2364-0.0000 ( 8886 PWs) bands (ev): -36.9020 -36.9020 -36.8856 -36.8856 -11.9665 -11.9665 -9.1615 -9.1615 -7.7796 -7.7796 -7.7727 -7.7727 -3.8475 -3.8475 -0.5754 -0.5754 -0.0982 -0.0982 -0.0823 -0.0823 3.2746 3.2746 3.8893 3.8893 4.6440 4.6440 4.7367 4.7367 4.7410 4.7410 4.8461 4.8461 6.3554 6.3554 6.3602 6.3602 12.6572 12.6572 13.7319 13.7319 13.9419 13.9419 13.9533 13.9533 k = 0.2727 0.2467-0.0000 ( 8870 PWs) bands (ev): -36.9017 -36.9017 -36.8859 -36.8859 -11.9281 -11.9281 -9.2506 -9.2506 -7.7865 -7.7865 -7.7800 -7.7800 -3.7432 -3.7432 -0.6190 -0.6190 -0.0580 -0.0580 -0.0426 -0.0426 3.2746 3.2746 3.9041 3.9041 4.5738 4.5738 4.6869 4.6869 4.6908 4.6908 4.8569 4.8569 6.3825 6.3825 6.3871 6.3871 12.7810 12.7810 13.7274 13.7274 13.8746 13.8746 13.8857 13.8857 k = 0.2841 0.2570-0.0000 ( 8870 PWs) bands (ev): -36.9014 -36.9014 -36.8863 -36.8863 -11.8881 -11.8881 -9.3391 -9.3391 -7.7934 -7.7934 -7.7871 -7.7871 -3.6391 -3.6391 -0.6642 -0.6642 -0.0174 -0.0174 -0.0025 -0.0025 3.2733 3.2733 3.9229 3.9229 4.5036 4.5036 4.6365 4.6365 4.6401 4.6401 4.8659 4.8659 6.4102 6.4102 6.4146 6.4146 12.9054 12.9054 13.7236 13.7236 13.8089 13.8089 13.8196 13.8196 k = 0.2955 0.2673-0.0000 ( 8870 PWs) bands (ev): -36.9010 -36.9010 -36.8866 -36.8866 -11.8465 -11.8465 -9.4269 -9.4269 -7.8001 -7.8001 -7.7941 -7.7941 -3.5355 -3.5355 -0.7110 -0.7110 0.0233 0.0233 0.0376 0.0376 3.2711 3.2711 3.9453 3.9453 4.4337 4.4337 4.5859 4.5859 4.5891 4.5891 4.8729 4.8729 6.4383 6.4383 6.4426 6.4426 13.0297 13.0297 13.7213 13.7213 13.7449 13.7449 13.7551 13.7551 k = 0.3068 0.2775-0.0000 ( 8854 PWs) bands (ev): -36.9007 -36.9007 -36.8869 -36.8869 -11.8034 -11.8034 -9.5140 -9.5140 -7.8066 -7.8066 -7.8010 -7.8010 -3.4324 -3.4324 -0.7594 -0.7594 0.0639 0.0639 0.0777 0.0777 3.2685 3.2685 3.9709 3.9709 4.3645 4.3645 4.5353 4.5353 4.5382 4.5382 4.8778 4.8778 6.4667 6.4667 6.4708 6.4708 13.1533 13.1533 13.6823 13.6823 13.6923 13.6923 13.7217 13.7217 k = 0.3182 0.2878-0.0000 ( 8854 PWs) bands (ev): -36.9003 -36.9003 -36.8873 -36.8873 -11.7588 -11.7588 -9.6004 -9.6004 -7.8130 -7.8130 -7.8076 -7.8076 -3.3299 -3.3299 -0.8095 -0.8095 0.1042 0.1042 0.1174 0.1174 3.2657 3.2657 3.9994 3.9994 4.2960 4.2960 4.4850 4.4850 4.4877 4.4877 4.8804 4.8804 6.4950 6.4950 6.4990 6.4990 13.2755 13.2755 13.6220 13.6220 13.6316 13.6316 13.7242 13.7242 k = 0.3295 0.2981-0.0000 ( 8862 PWs) bands (ev): -36.8999 -36.8999 -36.8877 -36.8877 -11.7126 -11.7126 -9.6859 -9.6859 -7.8191 -7.8191 -7.8141 -7.8141 -3.2283 -3.2283 -0.8612 -0.8612 0.1440 0.1440 0.1566 0.1566 3.2634 3.2634 4.0303 4.0303 4.2286 4.2286 4.4355 4.4355 4.4379 4.4379 4.8807 4.8807 6.5232 6.5232 6.5270 6.5270 13.3954 13.3954 13.5640 13.5640 13.5730 13.5730 13.7299 13.7299 k = 0.3409 0.3084 0.0000 ( 8866 PWs) bands (ev): -36.8996 -36.8996 -36.8880 -36.8880 -11.6649 -11.6649 -9.7705 -9.7705 -7.8249 -7.8249 -7.8202 -7.8202 -3.1274 -3.1274 -0.9145 -0.9145 0.1831 0.1831 0.1950 0.1950 3.2619 3.2619 4.0634 4.0634 4.1623 4.1623 4.3870 4.3870 4.3891 4.3891 4.8785 4.8785 6.5509 6.5509 6.5545 6.5545 13.5041 13.5041 13.5144 13.5144 13.5190 13.5190 13.7390 13.7390 k = 0.3523 0.3187-0.0000 ( 8866 PWs) bands (ev): -36.8992 -36.8992 -36.8884 -36.8884 -11.6157 -11.6157 -9.8542 -9.8542 -7.8305 -7.8305 -7.8261 -7.8261 -3.0275 -3.0275 -0.9696 -0.9696 0.2211 0.2211 0.2323 0.2323 3.2614 3.2614 4.0970 4.0970 4.0987 4.0987 4.3398 4.3398 4.3416 4.3416 4.8738 4.8738 6.5779 6.5779 6.5813 6.5813 13.4547 13.4547 13.4631 13.4631 13.6260 13.6260 13.7518 13.7518 k = 0.3636 0.3289 0.0000 ( 8854 PWs) bands (ev): -36.8988 -36.8988 -36.8888 -36.8888 -11.5649 -11.5649 -9.9370 -9.9370 -7.8357 -7.8357 -7.8317 -7.8317 -2.9287 -2.9287 -1.0263 -1.0263 0.2579 0.2579 0.2684 0.2684 3.2624 3.2624 4.0343 4.0343 4.1344 4.1344 4.2942 4.2942 4.2959 4.2959 4.8666 4.8666 6.6041 6.6041 6.6073 6.6073 13.4045 13.4045 13.4122 13.4122 13.7338 13.7338 13.7685 13.7685 k = 0.3750 0.3392 0.0000 ( 8838 PWs) bands (ev): -36.8984 -36.8984 -36.8892 -36.8892 -11.5127 -11.5127 -10.0187 -10.0187 -7.8406 -7.8406 -7.8369 -7.8369 -2.8309 -2.8309 -1.0849 -1.0849 0.2932 0.2932 0.3030 0.3030 3.2651 3.2651 3.9729 3.9729 4.1717 4.1717 4.2508 4.2508 4.2522 4.2522 4.8567 4.8567 6.6291 6.6291 6.6321 6.6321 13.3572 13.3572 13.3643 13.3643 13.7891 13.7891 13.8352 13.8352 k = 0.3864 0.3495 0.0000 ( 8834 PWs) bands (ev): -36.8980 -36.8980 -36.8896 -36.8896 -11.4591 -11.4591 -10.0995 -10.0995 -7.8452 -7.8452 -7.8418 -7.8418 -2.7343 -2.7343 -1.1452 -1.1452 0.3266 0.3266 0.3357 0.3357 3.2697 3.2697 3.9134 3.9134 4.2062 4.2062 4.2104 4.2104 4.2138 4.2138 4.8443 4.8443 6.6529 6.6529 6.6557 6.6557 13.3131 13.3131 13.3197 13.3197 13.8135 13.8135 13.9287 13.9287 k = 0.3977 0.3598-0.0000 ( 8814 PWs) bands (ev): -36.8975 -36.8975 -36.8900 -36.8900 -11.4039 -11.4039 -10.1791 -10.1791 -7.8493 -7.8493 -7.8463 -7.8463 -2.6390 -2.6390 -1.2073 -1.2073 0.3581 0.3581 0.3663 0.3663 3.2764 3.2764 3.8561 3.8561 4.1708 4.1708 4.1720 4.1720 4.2494 4.2494 4.8293 4.8293 6.6751 6.6751 6.6776 6.6776 13.2725 13.2725 13.2785 13.2785 13.8418 13.8418 14.0128 14.0128 k = 0.4091 0.3701-0.0000 ( 8818 PWs) bands (ev): -36.8971 -36.8971 -36.8904 -36.8904 -11.3473 -11.3473 -10.2577 -10.2577 -7.8531 -7.8531 -7.8503 -7.8503 -2.5451 -2.5451 -1.2713 -1.2713 0.3872 0.3872 0.3946 0.3946 3.2854 3.2854 3.8009 3.8009 4.1353 4.1353 4.1364 4.1364 4.2887 4.2887 4.8119 4.8119 6.6956 6.6956 6.6979 6.6979 13.2355 13.2355 13.2409 13.2409 13.8735 13.8735 14.0857 14.0857 k = 0.4205 0.3803-0.0000 ( 8818 PWs) bands (ev): -36.8967 -36.8967 -36.8908 -36.8908 -11.2893 -11.2893 -10.3352 -10.3352 -7.8564 -7.8564 -7.8540 -7.8540 -2.4526 -2.4526 -1.3371 -1.3371 0.4137 0.4137 0.4202 0.4202 3.2968 3.2968 3.7481 3.7481 4.1031 4.1031 4.1040 4.1040 4.3283 4.3283 4.7920 4.7920 6.7142 6.7142 6.7162 6.7162 13.2024 13.2024 13.2072 13.2072 13.9085 13.9085 14.1458 14.1458 k = 0.4318 0.3906-0.0000 ( 8818 PWs) bands (ev): -36.8963 -36.8963 -36.8912 -36.8912 -11.2298 -11.2298 -10.4115 -10.4115 -7.8593 -7.8593 -7.8572 -7.8572 -2.3616 -2.3616 -1.4048 -1.4048 0.4373 0.4373 0.4430 0.4430 3.3108 3.3108 3.6978 3.6978 4.0745 4.0745 4.0753 4.0753 4.3678 4.3678 4.7697 4.7697 6.7307 6.7307 6.7325 6.7325 13.1734 13.1734 13.1775 13.1775 13.9462 13.9462 14.1920 14.1920 k = 0.4432 0.4009-0.0000 ( 8794 PWs) bands (ev): -36.8959 -36.8959 -36.8916 -36.8916 -11.1690 -11.1690 -10.4867 -10.4867 -7.8617 -7.8617 -7.8600 -7.8600 -2.2722 -2.2722 -1.4743 -1.4743 0.4579 0.4579 0.4626 0.4626 3.3274 3.3274 3.6501 3.6501 4.0498 4.0498 4.0505 4.0505 4.4071 4.4071 4.7452 4.7452 6.7450 6.7450 6.7465 6.7465 13.1486 13.1486 13.1520 13.1520 13.9861 13.9861 14.2233 14.2233 k = 0.4545 0.4112-0.0000 ( 8802 PWs) bands (ev): -36.8955 -36.8955 -36.8920 -36.8920 -11.1067 -11.1067 -10.5607 -10.5607 -7.8637 -7.8637 -7.8623 -7.8623 -2.1844 -2.1844 -1.5458 -1.5458 0.4751 0.4751 0.4789 0.4789 3.3468 3.3468 3.6051 3.6051 4.0293 4.0293 4.0298 4.0298 4.4460 4.4460 4.7185 4.7185 6.7569 6.7569 6.7581 6.7581 13.1281 13.1281 13.1309 13.1309 14.0274 14.0274 14.2398 14.2398 k = 0.4659 0.4215-0.0000 ( 8802 PWs) bands (ev): -36.8950 -36.8950 -36.8925 -36.8925 -11.0431 -11.0431 -10.6334 -10.6334 -7.8652 -7.8652 -7.8642 -7.8642 -2.0983 -2.0983 -1.6191 -1.6191 0.4888 0.4888 0.4917 0.4917 3.3690 3.3690 3.5628 3.5628 4.0130 4.0130 4.0134 4.0134 4.4842 4.4842 4.6898 4.6898 6.7663 6.7663 6.7672 6.7672 13.1121 13.1121 13.1142 13.1142 14.0691 14.0691 14.2423 14.2423 k = 0.4773 0.4317 0.0000 ( 8818 PWs) bands (ev): -36.8946 -36.8946 -36.8929 -36.8929 -10.9781 -10.9781 -10.7049 -10.7049 -7.8662 -7.8662 -7.8656 -7.8656 -2.0139 -2.0139 -1.6944 -1.6944 0.4989 0.4989 0.5008 0.5008 3.3941 3.3941 3.5233 3.5233 4.0014 4.0014 4.0016 4.0016 4.5216 4.5216 4.6593 4.6593 6.7732 6.7732 6.7738 6.7738 13.1007 13.1007 13.1021 13.1021 14.1099 14.1099 14.2323 14.2323 k = 0.4886 0.4420-0.0000 ( 8826 PWs) bands (ev): -36.8942 -36.8942 -36.8933 -36.8933 -10.9117 -10.9117 -10.7751 -10.7751 -7.8668 -7.8668 -7.8665 -7.8665 -1.9313 -1.9313 -1.7715 -1.7715 0.5052 0.5052 0.5061 0.5061 3.4220 3.4220 3.4866 3.4866 3.9943 3.9943 3.9944 3.9944 4.5580 4.5580 4.6270 4.6270 6.7774 6.7774 6.7777 6.7777 13.0940 13.0940 13.0947 13.0947 14.1486 14.1486 14.2118 14.2118 k = 0.5000 0.4523-0.0000 ( 8826 PWs) bands (ev): -36.8938 -36.8938 -36.8938 -36.8938 -10.8441 -10.8441 -10.8441 -10.8441 -7.8669 -7.8669 -7.8669 -7.8669 -1.8504 -1.8504 -1.8504 -1.8504 0.5076 0.5076 0.5076 0.5076 3.4529 3.4529 3.4529 3.4529 3.9920 3.9920 3.9920 3.9920 4.5932 4.5932 4.5932 4.5932 6.7789 6.7789 6.7789 6.7789 13.0920 13.0920 13.0920 13.0920 14.1832 14.1832 14.1832 14.1832 k = 0.5000 0.4523-0.0000 ( 8826 PWs) bands (ev): -36.8938 -36.8938 -36.8938 -36.8938 -10.8441 -10.8441 -10.8441 -10.8441 -7.8669 -7.8669 -7.8669 -7.8669 -1.8504 -1.8504 -1.8504 -1.8504 0.5076 0.5076 0.5076 0.5076 3.4529 3.4529 3.4529 3.4529 3.9920 3.9920 3.9920 3.9920 4.5932 4.5932 4.5932 4.5932 6.7789 6.7789 6.7789 6.7789 13.0920 13.0920 13.0920 13.0920 14.1832 14.1832 14.1832 14.1832 k = 0.4930 0.4601 0.0105 ( 8838 PWs) bands (ev): -36.8938 -36.8938 -36.8937 -36.8937 -10.8449 -10.8449 -10.8432 -10.8432 -7.8672 -7.8672 -7.8667 -7.8665 -1.8526 -1.8520 -1.8490 -1.8486 0.5063 0.5069 0.5077 0.5083 3.4442 3.4443 3.4537 3.4539 3.9870 3.9877 4.0018 4.0020 4.5932 4.5932 4.5979 4.5984 6.7784 6.7785 6.7786 6.7789 13.0857 13.0864 13.0937 13.0937 14.1857 14.1857 14.1890 14.1899 k = 0.4859 0.4678 0.0210 ( 8838 PWs) bands (ev): -36.8938 -36.8938 -36.8937 -36.8937 -10.8473 -10.8473 -10.8405 -10.8404 -7.8682 -7.8681 -7.8662 -7.8657 -1.8582 -1.8571 -1.8445 -1.8437 0.5034 0.5045 0.5084 0.5096 3.4200 3.4202 3.4564 3.4566 3.9734 3.9746 4.0297 4.0301 4.5932 4.5933 4.6118 4.6128 6.7772 6.7773 6.7780 6.7785 13.0679 13.0692 13.0989 13.0989 14.1931 14.1931 14.2069 14.2085 k = 0.4789 0.4756 0.0315 ( 8838 PWs) bands (ev): -36.8938 -36.8938 -36.8937 -36.8937 -10.8513 -10.8512 -10.8359 -10.8358 -7.8697 -7.8695 -7.8653 -7.8645 -1.8675 -1.8658 -1.8368 -1.8356 0.4987 0.5004 0.5097 0.5115 3.3844 3.3847 3.4608 3.4612 3.9522 3.9539 4.0717 4.0723 4.5933 4.5934 4.6340 4.6354 6.7753 6.7754 6.7771 6.7778 13.0398 13.0418 13.1074 13.1074 14.2054 14.2055 14.2357 14.2381 k = 0.4719 0.4834 0.0419 ( 8840 PWs) bands (ev): -36.8938 -36.8938 -36.8937 -36.8937 -10.8569 -10.8568 -10.8295 -10.8293 -7.8717 -7.8715 -7.8640 -7.8629 -1.8802 -1.8781 -1.8261 -1.8244 0.4922 0.4945 0.5116 0.5140 3.3413 3.3416 3.4671 3.4676 3.9250 3.9271 4.1237 4.1244 4.5935 4.5936 4.6628 4.6645 6.7726 6.7728 6.7757 6.7767 13.0032 13.0057 13.1193 13.1193 14.2227 14.2228 14.2737 14.2768 k = 0.4648 0.4912 0.0524 ( 8832 PWs) bands (ev): -36.8939 -36.8939 -36.8936 -36.8936 -10.8640 -10.8639 -10.8212 -10.8210 -7.8743 -7.8740 -7.8622 -7.8608 -1.8964 -1.8938 -1.8124 -1.8103 0.4841 0.4868 0.5141 0.5170 3.2939 3.2942 3.4751 3.4757 3.8934 3.8957 4.1825 4.1833 4.5937 4.5939 4.6969 4.6988 6.7691 6.7694 6.7738 6.7750 12.9598 12.9627 13.1345 13.1345 14.2448 14.2450 14.3194 14.3230 k = 0.4578 0.4989 0.0629 ( 8830 PWs) bands (ev): -36.8940 -36.8940 -36.8935 -36.8935 -10.8727 -10.8726 -10.8112 -10.8109 -7.8773 -7.8770 -7.8600 -7.8584 -1.9160 -1.9129 -1.7959 -1.7934 0.4742 0.4775 0.5171 0.5206 3.2443 3.2445 3.4849 3.4856 3.8585 3.8611 4.2460 4.2468 4.5941 4.5943 4.7349 4.7370 6.7649 6.7652 6.7713 6.7727 12.9114 12.9147 13.1529 13.1530 14.2717 14.2719 14.3711 14.3752 k = 0.4508 0.5067 0.0734 ( 8838 PWs) bands (ev): -36.8940 -36.8940 -36.8935 -36.8935 -10.8830 -10.8828 -10.7993 -10.7990 -7.8807 -7.8804 -7.8574 -7.8555 -1.9389 -1.9354 -1.7766 -1.7737 0.4627 0.4665 0.5207 0.5247 3.1939 3.1940 3.4964 3.4972 3.8216 3.8244 4.3125 4.3134 4.5947 4.5949 4.7760 4.7781 6.7600 6.7603 6.7680 6.7696 12.8594 12.8630 13.1745 13.1745 14.3033 14.3035 14.4275 14.4319 k = 0.4437 0.5145 0.0839 ( 8834 PWs) bands (ev): -36.8941 -36.8941 -36.8934 -36.8934 -10.8948 -10.8946 -10.7856 -10.7852 -7.8845 -7.8841 -7.8544 -7.8522 -1.9650 -1.9610 -1.7548 -1.7514 0.4495 0.4538 0.5247 0.5292 3.1436 3.1437 3.5096 3.5105 3.7833 3.7862 4.3811 4.3820 4.5955 4.5958 4.8194 4.8216 6.7543 6.7547 6.7638 6.7656 12.8051 12.8089 13.1990 13.1991 14.3394 14.3397 14.4876 14.4923 k = 0.4367 0.5223 0.0944 ( 8832 PWs) bands (ev): -36.8942 -36.8942 -36.8933 -36.8933 -10.9082 -10.9079 -10.7700 -10.7697 -7.8885 -7.8880 -7.8510 -7.8485 -1.9942 -1.9899 -1.7305 -1.7268 0.4348 0.4396 0.5292 0.5340 3.0942 3.0942 3.5244 3.5254 3.7445 3.7475 4.4507 4.4516 4.5966 4.5968 4.8646 4.8668 6.7479 6.7484 6.7584 6.7605 12.7496 12.7536 13.2265 13.2265 14.3801 14.3804 14.5504 14.5554 k = 0.4297 0.5301 0.1049 ( 8840 PWs) bands (ev): -36.8943 -36.8943 -36.8932 -36.8932 -10.9230 -10.9228 -10.7527 -10.7523 -7.8927 -7.8921 -7.8473 -7.8445 -2.0265 -2.0217 -1.7041 -1.7000 0.4186 0.4239 0.5340 0.5392 3.0461 3.0461 3.5408 3.5420 3.7055 3.7086 4.5207 4.5216 4.5980 4.5983 4.9113 4.9136 6.7409 6.7415 6.7518 6.7540 12.6936 12.6978 13.2566 13.2566 14.4251 14.4254 14.6154 14.6207 k = 0.4226 0.5378 0.1153 ( 8836 PWs) bands (ev): -36.8944 -36.8944 -36.8931 -36.8931 -10.9393 -10.9391 -10.7336 -10.7331 -7.8971 -7.8964 -7.8431 -7.8401 -2.0615 -2.0565 -1.6756 -1.6711 0.4009 0.4066 0.5391 0.5446 2.9996 2.9997 3.5588 3.5600 3.6669 3.6701 4.5904 4.5913 4.5998 4.6001 4.9595 4.9617 6.7332 6.7338 6.7437 6.7461 12.6380 12.6423 13.2893 13.2893 14.4744 14.4747 14.6822 14.6877 k = 0.4156 0.5456 0.1258 ( 8836 PWs) bands (ev): -36.8946 -36.8946 -36.8929 -36.8929 -10.9571 -10.9568 -10.7126 -10.7121 -7.9014 -7.9006 -7.8386 -7.8353 -2.0994 -2.0941 -1.6454 -1.6405 0.3818 0.3880 0.5444 0.5503 2.9552 2.9553 3.5783 3.5796 3.6291 3.6322 4.6020 4.6023 4.6591 4.6600 5.0090 5.0112 6.7248 6.7255 6.7340 6.7365 12.5832 12.5877 13.3243 13.3243 14.5276 14.5280 14.7504 14.7560 k = 0.4086 0.5534 0.1363 ( 8836 PWs) bands (ev): -36.8947 -36.8947 -36.8928 -36.8928 -10.9763 -10.9760 -10.6899 -10.6894 -7.9057 -7.9048 -7.8338 -7.8302 -2.1399 -2.1343 -1.6137 -1.6084 0.3613 0.3679 0.5499 0.5560 2.9129 2.9131 3.5918 3.5954 3.5993 3.6011 4.6047 4.6050 4.7262 4.7270 5.0600 5.0622 6.7158 6.7166 6.7225 6.7251 12.5299 12.5346 13.3614 13.3614 14.5848 14.5852 14.8198 14.8256 k = 0.4015 0.5612 0.1468 ( 8834 PWs) bands (ev): -36.8949 -36.8949 -36.8926 -36.8926 -10.9969 -10.9966 -10.6654 -10.6649 -7.9099 -7.9089 -7.8286 -7.8247 -2.1828 -2.1771 -1.5807 -1.5750 0.3396 0.3466 0.5556 0.5618 2.8729 2.8732 3.5566 3.5599 3.6216 3.6231 4.6080 4.6082 4.7909 4.7916 5.1127 5.1149 6.7059 6.7070 6.7092 6.7117 12.4784 12.4833 13.4003 13.4003 14.6456 14.6460 14.8903 14.8962 k = 0.3945 0.5689 0.1573 ( 8846 PWs) bands (ev): -36.8950 -36.8950 -36.8925 -36.8925 -11.0188 -11.0185 -10.6392 -10.6386 -7.9139 -7.9127 -7.8231 -7.8189 -2.2282 -2.2223 -1.5466 -1.5405 0.3167 0.3241 0.5613 0.5677 2.8355 2.8358 3.5228 3.5260 3.6453 3.6469 4.6118 4.6120 4.8525 4.8531 5.1674 5.1696 6.6923 6.6953 6.6969 6.6977 12.4292 12.4342 13.4407 13.4407 14.7098 14.7102 14.9617 14.9678 k = 0.3875 0.5767 0.1678 ( 8854 PWs) bands (ev): -36.8952 -36.8952 -36.8923 -36.8923 -11.0420 -11.0417 -10.6112 -10.6105 -7.9176 -7.9163 -7.8172 -7.8128 -2.2759 -2.2698 -1.5117 -1.5053 0.2926 0.3005 0.5670 0.5735 2.8006 2.8010 3.4908 3.4940 3.6702 3.6719 4.6162 4.6163 4.9104 4.9109 5.2242 5.2265 6.6743 6.6776 6.6859 6.6867 12.3826 12.3877 13.4823 13.4824 14.7769 14.7774 15.0341 15.0402 k = 0.3804 0.5845 0.1783 ( 8854 PWs) bands (ev): -36.8954 -36.8954 -36.8921 -36.8921 -11.0664 -11.0662 -10.5814 -10.5807 -7.9210 -7.9195 -7.8111 -7.8064 -2.3256 -2.3195 -1.4762 -1.4695 0.2675 0.2758 0.5726 0.5792 2.7684 2.7688 3.4609 3.4641 3.6963 3.6980 4.6212 4.6213 4.9643 4.9646 5.2833 5.2857 6.6537 6.6571 6.6747 6.6755 12.3389 12.3442 13.5248 13.5248 14.8467 14.8471 15.1074 15.1136 k = 0.3734 0.5923 0.1887 ( 8866 PWs) bands (ev): -36.8955 -36.8955 -36.8920 -36.8920 -11.0921 -11.0918 -10.5499 -10.5492 -7.9239 -7.9223 -7.8047 -7.7998 -2.3774 -2.3712 -1.4405 -1.4334 0.2415 0.2501 0.5781 0.5848 2.7389 2.7393 3.4334 3.4365 3.7235 3.7253 4.6270 4.6270 5.0137 5.0140 5.3446 5.3470 6.6305 6.6339 6.6630 6.6639 12.2985 12.3039 13.5676 13.5676 14.9182 14.9187 15.1815 15.1878 k = 0.3664 0.6000 0.1992 ( 8862 PWs) bands (ev): -36.8957 -36.8957 -36.8918 -36.8918 -11.1189 -11.1186 -10.5167 -10.5160 -7.9264 -7.9247 -7.7981 -7.7928 -2.4311 -2.4248 -1.4046 -1.3973 0.2146 0.2235 0.5835 0.5901 2.7121 2.7125 3.4086 3.4116 3.7518 3.7537 4.6334 4.6334 5.0587 5.0589 5.4077 5.4101 6.6045 6.6081 6.6508 6.6518 12.2615 12.2670 13.6104 13.6104 14.9902 14.9907 15.2565 15.2628 k = 0.3593 0.6078 0.2097 ( 8868 PWs) bands (ev): -36.8959 -36.8959 -36.8916 -36.8916 -11.1467 -11.1465 -10.4818 -10.4810 -7.9284 -7.9265 -7.7912 -7.7857 -2.4867 -2.4803 -1.3690 -1.3613 0.1869 0.1962 0.5886 0.5952 2.6879 2.6882 3.3867 3.3896 3.7810 3.7830 4.6405 4.6406 5.0994 5.0995 5.4723 5.4747 6.5759 6.5795 6.6382 6.6392 12.2282 12.2339 13.6525 13.6525 15.0602 15.0609 15.3323 15.3386 k = 0.3523 0.6156 0.2202 ( 8864 PWs) bands (ev): -36.8961 -36.8961 -36.8914 -36.8914 -11.1756 -11.1753 -10.4453 -10.4444 -7.9299 -7.9278 -7.7841 -7.7783 -2.5439 -2.5375 -1.3337 -1.3258 0.1586 0.1681 0.5935 0.6000 2.6662 2.6666 3.3680 3.3708 3.8111 3.8131 4.6483 4.6485 5.1359 5.1361 5.5377 5.5402 6.5445 6.5482 6.6252 6.6263 12.1988 12.2047 13.6933 13.6933 15.1229 15.1243 15.4086 15.4151 k = 0.3523 0.6156 0.2202 ( 8864 PWs) bands (ev): -36.8961 -36.8961 -36.8914 -36.8914 -11.1756 -11.1753 -10.4453 -10.4444 -7.9299 -7.9278 -7.7841 -7.7783 -2.5439 -2.5375 -1.3337 -1.3258 0.1586 0.1681 0.5935 0.6000 2.6662 2.6666 3.3680 3.3708 3.8111 3.8131 4.6483 4.6485 5.1359 5.1361 5.5377 5.5402 6.5445 6.5482 6.6252 6.6263 12.1988 12.2047 13.6933 13.6933 15.1229 15.1243 15.4086 15.4151 k = 0.3392 0.6114 0.2258 ( 8859 PWs) bands (ev): -36.8963 -36.8963 -36.8912 -36.8912 -11.1936 -11.1934 -10.4224 -10.4215 -7.9301 -7.9279 -7.7801 -7.7741 -2.5788 -2.5725 -1.3121 -1.3040 0.1424 0.1521 0.5950 0.6015 2.6568 2.6571 3.3602 3.3630 3.8274 3.8294 4.6503 4.6512 5.1551 5.1557 5.5737 5.5762 6.5266 6.5303 6.6175 6.6187 12.1867 12.1927 13.7149 13.7154 15.1466 15.1489 15.3761 15.3863 k = 0.3262 0.6072 0.2315 ( 8862 PWs) bands (ev): -36.8964 -36.8964 -36.8911 -36.8911 -11.2152 -11.2150 -10.3949 -10.3940 -7.9295 -7.9271 -7.7759 -7.7697 -2.6206 -2.6143 -1.2855 -1.2772 0.1250 0.1349 0.5947 0.6012 2.6503 2.6507 3.3552 3.3579 3.8434 3.8454 4.6483 4.6499 5.1757 5.1768 5.6104 5.6129 6.5083 6.5120 6.6090 6.6103 12.1800 12.1860 13.7369 13.7379 15.1550 15.1588 15.3466 15.3553 k = 0.3131 0.6030 0.2371 ( 8864 PWs) bands (ev): -36.8966 -36.8966 -36.8909 -36.8909 -11.2394 -11.2392 -10.3640 -10.3631 -7.9281 -7.9254 -7.7716 -7.7652 -2.6679 -2.6617 -1.2549 -1.2464 0.1066 0.1167 0.5926 0.5990 2.6468 2.6471 3.3527 3.3553 3.8590 3.8611 4.6428 4.6452 5.1971 5.1989 5.6470 5.6496 6.4901 6.4938 6.5997 6.6012 12.1786 12.1847 13.7595 13.7609 15.1456 15.1515 15.3267 15.3331 k = 0.3001 0.5988 0.2428 ( 8864 PWs) bands (ev): -36.8968 -36.8968 -36.8907 -36.8907 -11.2653 -11.2651 -10.3306 -10.3297 -7.9257 -7.9228 -7.7671 -7.7605 -2.7198 -2.7137 -1.2212 -1.2125 0.0874 0.0977 0.5888 0.5952 2.6460 2.6463 3.3524 3.3550 3.8743 3.8765 4.6345 4.6376 5.2191 5.2214 5.6826 5.6852 6.4726 6.4762 6.5901 6.5918 12.1825 12.1886 13.7824 13.7843 15.1211 15.1288 15.3136 15.3179 k = 0.2870 0.5946 0.2484 ( 8862 PWs) bands (ev): -36.8970 -36.8970 -36.8905 -36.8905 -11.2922 -11.2919 -10.2956 -10.2947 -7.9224 -7.9192 -7.7625 -7.7556 -2.7753 -2.7692 -1.1852 -1.1763 0.0676 0.0781 0.5833 0.5896 2.6478 2.6481 3.3540 3.3566 3.8892 3.8914 4.6240 4.6278 5.2410 5.2439 5.7162 5.7187 6.4563 6.4599 6.5805 6.5825 12.1915 12.1976 13.8057 13.8080 15.0871 15.0961 15.3017 15.3043 k = 0.2740 0.5905 0.2541 ( 8862 PWs) bands (ev): -36.8972 -36.8972 -36.8903 -36.8903 -11.3195 -11.3192 -10.2597 -10.2588 -7.9182 -7.9147 -7.7578 -7.7507 -2.8334 -2.8275 -1.1477 -1.1385 0.0476 0.0584 0.5762 0.5825 2.6522 2.6525 3.3572 3.3599 3.9036 3.9059 4.6120 4.6166 5.2624 5.2658 5.7464 5.7489 6.4420 6.4455 6.5713 6.5737 12.2056 12.2117 13.8293 13.8320 15.0482 15.0579 15.2867 15.2882 k = 0.2610 0.5863 0.2597 ( 8861 PWs) bands (ev): -36.8974 -36.8974 -36.8901 -36.8901 -11.3468 -11.3465 -10.2234 -10.2225 -7.9131 -7.9092 -7.7531 -7.7457 -2.8934 -2.8876 -1.1092 -1.0999 0.0277 0.0387 0.5675 0.5739 2.6590 2.6593 3.3618 3.3644 3.9173 3.9197 4.5995 4.6047 5.2828 5.2867 5.7722 5.7746 6.4301 6.4337 6.5633 6.5660 12.2246 12.2307 13.8533 13.8563 15.0071 15.0172 15.2667 15.2676 k = 0.2479 0.5821 0.2654 ( 8867 PWs) bands (ev): -36.8976 -36.8976 -36.8899 -36.8899 -11.3737 -11.3735 -10.1872 -10.1862 -7.9070 -7.9028 -7.7484 -7.7407 -2.9546 -2.9490 -1.0704 -1.0608 0.0081 0.0194 0.5575 0.5638 2.6680 2.6683 3.3673 3.3700 3.9302 3.9327 4.5871 4.5929 5.3018 5.3062 5.7922 5.7945 6.4211 6.4246 6.5573 6.5605 12.2483 12.2543 13.8775 13.8807 14.9653 14.9756 15.2411 15.2421 k = 0.2349 0.5779 0.2710 ( 8862 PWs) bands (ev): -36.8978 -36.8978 -36.8897 -36.8897 -11.4001 -11.3998 -10.1514 -10.1505 -7.9001 -7.8955 -7.7437 -7.7357 -3.0164 -3.0109 -1.0317 -1.0219 -0.0108 0.0008 0.5460 0.5523 2.6791 2.6794 3.3734 3.3762 3.9418 3.9444 4.5757 4.5822 5.3191 5.3239 5.8055 5.8076 6.4148 6.4183 6.5544 6.5580 12.2765 12.2825 13.9018 13.9052 14.9236 14.9339 15.2104 15.2119 k = 0.2218 0.5737 0.2767 ( 8861 PWs) bands (ev): -36.8980 -36.8980 -36.8895 -36.8895 -11.4256 -11.4254 -10.1164 -10.1155 -7.8923 -7.8873 -7.7390 -7.7307 -3.0781 -3.0729 -0.9936 -0.9836 -0.0286 -0.0168 0.5331 0.5395 2.6922 2.6925 3.3799 3.3828 3.9519 3.9546 4.5663 4.5733 5.3342 5.3394 5.8116 5.8135 6.4104 6.4140 6.5559 6.5598 12.3090 12.3149 13.9260 13.9296 14.8823 14.8925 15.1757 15.1776 k = 0.2088 0.5695 0.2823 ( 8861 PWs) bands (ev): -36.8982 -36.8982 -36.8893 -36.8893 -11.4502 -11.4500 -10.0825 -10.0816 -7.8838 -7.8784 -7.7345 -7.7258 -3.1394 -3.1343 -0.9565 -0.9463 -0.0449 -0.0329 0.5190 0.5254 2.7070 2.7074 3.3864 3.3895 3.9600 3.9627 4.5598 4.5672 5.3468 5.3524 5.8103 5.8121 6.4070 6.4105 6.5629 6.5670 12.3455 12.3513 13.9500 13.9536 14.8420 14.8519 15.1379 15.1401 k = 0.1957 0.5653 0.2880 ( 8863 PWs) bands (ev): -36.8983 -36.8983 -36.8892 -36.8892 -11.4736 -11.4734 -10.0498 -10.0489 -7.8746 -7.8687 -7.7300 -7.7210 -3.1996 -3.1948 -0.9208 -0.9105 -0.0594 -0.0472 0.5037 0.5101 2.7235 2.7239 3.3927 3.3959 3.9656 3.9683 4.5569 4.5648 5.3567 5.3627 5.8024 5.8041 6.4035 6.4069 6.5760 6.5800 12.3857 12.3914 13.9733 13.9768 14.8026 14.8122 15.0983 15.1007 k = 0.1827 0.5611 0.2936 ( 8858 PWs) bands (ev): -36.8985 -36.8985 -36.8890 -36.8890 -11.4959 -11.4957 -10.0186 -10.0177 -7.8648 -7.8584 -7.7257 -7.7164 -3.2584 -3.2538 -0.8870 -0.8765 -0.0718 -0.0594 0.4872 0.4936 2.7413 2.7418 3.3986 3.4019 3.9684 3.9710 4.5586 4.5667 5.3635 5.3699 5.7889 5.7905 6.3994 6.4026 6.5947 6.5985 12.4294 12.4350 13.9954 13.9988 14.7644 14.7735 15.0579 15.0604 k = 0.1696 0.5570 0.2993 ( 8859 PWs) bands (ev): -36.8987 -36.8987 -36.8888 -36.8888 -11.5168 -11.5167 -9.9891 -9.9882 -7.8545 -7.8476 -7.7216 -7.7120 -3.3153 -3.3109 -0.8552 -0.8448 -0.0815 -0.0690 0.4696 0.4760 2.7604 2.7609 3.4038 3.4072 3.9681 3.9706 4.5652 4.5735 5.3669 5.3736 5.7710 5.7726 6.3947 6.3975 6.6180 6.6215 12.4762 12.4817 14.0158 14.0190 14.7274 14.7359 15.0181 15.0208 k = 0.1566 0.5528 0.3049 ( 8873 PWs) bands (ev): -36.8988 -36.8988 -36.8887 -36.8887 -11.5365 -11.5363 -9.9613 -9.9605 -7.8438 -7.8365 -7.7178 -7.7078 -3.3698 -3.3657 -0.8260 -0.8157 -0.0884 -0.0759 0.4510 0.4574 2.7804 2.7810 3.4082 3.4117 3.9647 3.9671 4.5772 4.5855 5.3666 5.3736 5.7501 5.7518 6.3895 6.3919 6.6445 6.6476 12.5257 12.5311 14.0334 14.0364 14.6917 14.6992 14.9803 14.9831 k = 0.1435 0.5486 0.3105 ( 8875 PWs) bands (ev): -36.8990 -36.8990 -36.8885 -36.8885 -11.5547 -11.5545 -9.9355 -9.9347 -7.8330 -7.8253 -7.7141 -7.7038 -3.4217 -3.4179 -0.7995 -0.7894 -0.0921 -0.0796 0.4316 0.4379 2.8012 2.8019 3.4117 3.4152 3.9586 3.9608 4.5945 4.6028 5.3621 5.3693 5.7276 5.7293 6.3842 6.3863 6.6728 6.6755 12.5776 12.5829 14.0473 14.0502 14.6572 14.6635 14.9459 14.9490 k = 0.1305 0.5444 0.3162 ( 8877 PWs) bands (ev): -36.8991 -36.8991 -36.8884 -36.8884 -11.5714 -11.5713 -9.9116 -9.9109 -7.8221 -7.8140 -7.7107 -7.7002 -3.4705 -3.4670 -0.7760 -0.7663 -0.0924 -0.0802 0.4113 0.4175 2.8225 2.8232 3.4141 3.4177 3.9501 3.9520 4.6168 4.6250 5.3530 5.3605 5.7048 5.7065 6.3791 6.3809 6.7016 6.7041 12.6313 12.6365 14.0563 14.0592 14.6240 14.6290 14.9165 14.9200 k = 0.1174 0.5402 0.3218 ( 8878 PWs) bands (ev): -36.8992 -36.8992 -36.8883 -36.8883 -11.5866 -11.5865 -9.8899 -9.8892 -7.8114 -7.8029 -7.7076 -7.6970 -3.5159 -3.5127 -0.7556 -0.7464 -0.0894 -0.0775 0.3904 0.3966 2.8439 2.8446 3.4154 3.4190 3.9398 3.9415 4.6437 4.6518 5.3390 5.3466 5.6829 5.6846 6.3743 6.3758 6.7301 6.7322 12.6864 12.6915 14.0590 14.0623 14.5924 14.5961 14.8934 14.8975 k = 0.1044 0.5360 0.3275 ( 8877 PWs) bands (ev): -36.8994 -36.8994 -36.8882 -36.8882 -11.6003 -11.6002 -9.8703 -9.8696 -7.8009 -7.7923 -7.7048 -7.6941 -3.5575 -3.5546 -0.7383 -0.7298 -0.0830 -0.0717 0.3691 0.3752 2.8650 2.8658 3.4157 3.4191 3.9284 3.9299 4.6748 4.6826 5.3199 5.3276 5.6628 5.6644 6.3700 6.3713 6.7573 6.7592 12.7421 12.7471 14.0548 14.0586 14.5628 14.5653 14.8774 14.8823 k = 0.0913 0.5318 0.3331 ( 8863 PWs) bands (ev): -36.8994 -36.8994 -36.8881 -36.8881 -11.6125 -11.6124 -9.8529 -9.8523 -7.7910 -7.7823 -7.7022 -7.6917 -3.5951 -3.5925 -0.7239 -0.7162 -0.0738 -0.0631 0.3476 0.3536 2.8856 2.8864 3.4149 3.4182 3.9166 3.9180 4.7093 4.7170 5.2958 5.3034 5.6452 5.6466 6.3662 6.3673 6.7827 6.7843 12.7976 12.8024 14.0433 14.0477 14.5357 14.5376 14.8689 14.8745 k = 0.0783 0.5276 0.3388 ( 8871 PWs) bands (ev): -36.8995 -36.8995 -36.8880 -36.8880 -11.6230 -11.6230 -9.8377 -9.8372 -7.7817 -7.7732 -7.6999 -7.6898 -3.6282 -3.6260 -0.7123 -0.7055 -0.0621 -0.0522 0.3264 0.3320 2.9051 2.9059 3.4133 3.4163 3.9050 3.9063 4.7467 4.7541 5.2669 5.2745 5.6303 5.6316 6.3630 6.3639 6.8056 6.8069 12.8519 12.8565 14.0251 14.0298 14.5117 14.5137 14.8674 14.8735 k = 0.0652 0.5235 0.3444 ( 8876 PWs) bands (ev): -36.8996 -36.8996 -36.8879 -36.8879 -11.6320 -11.6319 -9.8249 -9.8245 -7.7733 -7.7652 -7.6978 -7.6884 -3.6568 -3.6548 -0.7031 -0.6974 -0.0487 -0.0398 0.3057 0.3111 2.9230 2.9238 3.4110 3.4137 3.8943 3.8954 4.7863 4.7935 5.2341 5.2415 5.6183 5.6193 6.3604 6.3611 6.8256 6.8268 12.9037 12.9079 14.0018 14.0065 14.4916 14.4937 14.8719 14.8781 k = 0.0522 0.5193 0.3501 ( 8877 PWs) bands (ev): -36.8997 -36.8997 -36.8879 -36.8879 -11.6394 -11.6393 -9.8143 -9.8140 -7.7658 -7.7586 -7.6958 -7.6876 -3.6804 -3.6788 -0.6960 -0.6914 -0.0345 -0.0268 0.2865 0.2914 2.9389 2.9395 3.4083 3.4107 3.8850 3.8859 4.8274 4.8344 5.1981 5.2052 5.6089 5.6097 6.3583 6.3589 6.8425 6.8434 12.9511 12.9549 13.9758 13.9802 14.4755 14.4775 14.8805 14.8865 k = 0.0391 0.5151 0.3557 ( 8878 PWs) bands (ev): -36.8997 -36.8997 -36.8878 -36.8878 -11.6451 -11.6450 -9.8061 -9.8058 -7.7595 -7.7536 -7.6940 -7.6872 -3.6989 -3.6978 -0.6908 -0.6873 -0.0206 -0.0144 0.2695 0.2737 2.9520 2.9526 3.4057 3.4076 3.8773 3.8780 4.8690 4.8758 5.1602 5.1670 5.6019 5.6025 6.3568 6.3572 6.8559 6.8566 12.9922 12.9953 13.9503 13.9541 14.4634 14.4651 14.8913 14.8965 k = 0.0261 0.5109 0.3614 ( 8880 PWs) bands (ev): -36.8997 -36.8997 -36.8878 -36.8878 -11.6492 -11.6492 -9.8002 -9.8000 -7.7545 -7.7502 -7.6923 -7.6875 -3.7122 -3.7115 -0.6871 -0.6848 -0.0086 -0.0041 0.2561 0.2592 2.9619 2.9623 3.4036 3.4049 3.8717 3.8722 4.9097 4.9158 5.1224 5.1286 5.5971 5.5975 6.3557 6.3560 6.8657 6.8661 13.0245 13.0267 13.9288 13.9316 14.4550 14.4563 14.9019 14.9058 k = 0.0130 0.5067 0.3670 ( 8874 PWs) bands (ev): -36.8998 -36.8998 -36.8878 -36.8878 -11.6516 -11.6516 -9.7966 -9.7965 -7.7509 -7.7487 -7.6907 -7.6882 -3.7202 -3.7198 -0.6848 -0.6836 0.0000 0.0024 0.2476 0.2493 2.9682 2.9684 3.4023 3.4030 3.8683 3.8685 4.9454 4.9499 5.0896 5.0942 5.5944 5.5945 6.3551 6.3553 6.8716 6.8718 13.0454 13.0466 13.9146 13.9160 14.4502 14.4509 14.9099 14.9120 k = 0.0000 0.5025 0.3727 ( 8884 PWs) bands (ev): -36.8998 -36.8998 -36.8878 -36.8878 -11.6524 -11.6524 -9.7954 -9.7954 -7.7490 -7.7490 -7.6893 -7.6893 -3.7227 -3.7227 -0.6836 -0.6836 0.0039 0.0039 0.2452 0.2452 2.9703 2.9703 3.4021 3.4021 3.8672 3.8672 4.9640 4.9640 5.0760 5.0760 5.5935 5.5935 6.3550 6.3550 6.8737 6.8737 13.0531 13.0531 13.9101 13.9101 14.4489 14.4489 14.9136 14.9136 k = 0.0000 0.5025 0.3727 ( 8884 PWs) bands (ev): -36.8998 -36.8998 -36.8878 -36.8878 -11.6524 -11.6524 -9.7954 -9.7954 -7.7490 -7.7490 -7.6893 -7.6893 -3.7227 -3.7227 -0.6836 -0.6836 0.0039 0.0039 0.2452 0.2452 2.9703 2.9703 3.4021 3.4021 3.8672 3.8672 4.9640 4.9640 5.0760 5.0760 5.5935 5.5935 6.3550 6.3550 6.8737 6.8737 13.0531 13.0531 13.9101 13.9101 14.4489 14.4489 14.9136 14.9136 k = 0.0071 0.4946 0.3833 ( 8876 PWs) bands (ev): -36.8998 -36.8998 -36.8878 -36.8878 -11.6517 -11.6516 -9.7964 -9.7963 -7.7497 -7.7494 -7.6895 -7.6894 -3.7211 -3.7209 -0.6873 -0.6863 0.0050 0.0065 0.2459 0.2461 2.9689 2.9691 3.4013 3.4015 3.8678 3.8684 4.9656 4.9662 5.0766 5.0768 5.5942 5.5943 6.3543 6.3545 6.8729 6.8730 13.0543 13.0543 13.9096 13.9096 14.4470 14.4476 14.9123 14.9128 k = 0.0143 0.4867 0.3940 ( 8874 PWs) bands (ev): -36.8997 -36.8997 -36.8878 -36.8878 -11.6493 -11.6493 -9.7992 -9.7992 -7.7517 -7.7511 -7.6902 -7.6900 -3.7161 -3.7156 -0.6972 -0.6953 0.0097 0.0126 0.2483 0.2487 2.9649 2.9653 3.3992 3.3995 3.8699 3.8711 4.9710 4.9721 5.0787 5.0790 5.5963 5.5964 6.3524 6.3529 6.8707 6.8709 13.0579 13.0580 13.9083 13.9083 14.4419 14.4431 14.9091 14.9100 k = 0.0214 0.4788 0.4046 ( 8874 PWs) bands (ev): -36.8997 -36.8997 -36.8878 -36.8878 -11.6453 -11.6453 -9.8040 -9.8039 -7.7549 -7.7540 -7.6913 -7.6911 -3.7076 -3.7068 -0.7130 -0.7103 0.0176 0.0219 0.2522 0.2528 2.9585 2.9590 3.3957 3.3961 3.8737 3.8754 4.9801 4.9818 5.0821 5.0825 5.5997 5.6000 6.3495 6.3503 6.8670 6.8673 13.0640 13.0642 13.9062 13.9062 14.4338 14.4355 14.9038 14.9052 k = 0.0286 0.4709 0.4153 ( 8878 PWs) bands (ev): -36.8997 -36.8997 -36.8879 -36.8879 -11.6397 -11.6397 -9.8107 -9.8106 -7.7591 -7.7581 -7.6928 -7.6925 -3.6957 -3.6948 -0.7342 -0.7308 0.0284 0.0338 0.2577 0.2585 2.9498 2.9505 3.3909 3.3915 3.8788 3.8810 4.9928 4.9951 5.0868 5.0874 5.6045 5.6048 6.3455 6.3466 6.8619 6.8623 13.0725 13.0727 13.9035 13.9036 14.4227 14.4251 14.8966 14.8985 k = 0.0357 0.4630 0.4259 ( 8874 PWs) bands (ev): -36.8996 -36.8996 -36.8879 -36.8879 -11.6326 -11.6325 -9.8193 -9.8191 -7.7645 -7.7631 -7.6948 -7.6944 -3.6806 -3.6794 -0.7602 -0.7563 0.0415 0.0480 0.2647 0.2657 2.9393 2.9401 3.3850 3.3857 3.8852 3.8879 5.0090 5.0118 5.0926 5.0933 5.6104 5.6108 6.3406 6.3419 6.8553 6.8559 13.0833 13.0836 13.9005 13.9006 14.4090 14.4118 14.8875 14.8899 k = 0.0429 0.4551 0.4366 ( 8876 PWs) bands (ev): -36.8995 -36.8995 -36.8880 -36.8880 -11.6239 -11.6238 -9.8298 -9.8296 -7.7707 -7.7691 -7.6971 -7.6966 -3.6623 -3.6609 -0.7905 -0.7861 0.0564 0.0638 0.2730 0.2742 2.9274 2.9282 3.3780 3.3788 3.8927 3.8958 5.0286 5.0318 5.0995 5.1003 5.6172 5.6178 6.3348 6.3364 6.8475 6.8481 13.0964 13.0967 13.8975 13.8977 14.3927 14.3961 14.8766 14.8795 k = 0.0500 0.4472 0.4472 ( 8872 PWs) bands (ev): -36.8995 -36.8995 -36.8881 -36.8881 -11.6136 -11.6135 -9.8422 -9.8420 -7.7778 -7.7760 -7.6999 -7.6993 -3.6409 -3.6392 -0.8245 -0.8198 0.0726 0.0808 0.2826 0.2840 2.9143 2.9153 3.3700 3.3709 3.9012 3.9046 5.0512 5.0550 5.1072 5.1082 5.6249 5.6256 6.3283 6.3302 6.8382 6.8390 13.1115 13.1119 13.8948 13.8949 14.3742 14.3781 14.8640 14.8675 k = 0.0571 0.4393 0.4578 ( 8876 PWs) bands (ev): -36.8994 -36.8994 -36.8881 -36.8881 -11.6018 -11.6017 -9.8565 -9.8563 -7.7855 -7.7835 -7.7030 -7.7024 -3.6165 -3.6147 -0.8617 -0.8568 0.0896 0.0985 0.2932 0.2949 2.9005 2.9016 3.3611 3.3621 3.9104 3.9141 5.0768 5.0809 5.1156 5.1166 5.6332 5.6340 6.3212 6.3234 6.8277 6.8285 13.1287 13.1291 13.8926 13.8928 14.3536 14.3580 14.8498 14.8538 k = 0.0643 0.4314 0.4685 ( 8874 PWs) bands (ev): -36.8993 -36.8993 -36.8882 -36.8882 -11.5884 -11.5883 -9.8728 -9.8725 -7.7938 -7.7916 -7.7065 -7.7058 -3.5893 -3.5873 -0.9017 -0.8967 0.1071 0.1166 0.3048 0.3068 2.8866 2.8878 3.3515 3.3526 3.9202 3.9242 5.1048 5.1093 5.1246 5.1258 5.6417 5.6427 6.3138 6.3163 6.8159 6.8168 13.1476 13.1482 13.8913 13.8914 14.3313 14.3362 14.8342 14.8388 k = 0.0714 0.4236 0.4791 ( 8876 PWs) bands (ev): -36.8992 -36.8992 -36.8884 -36.8884 -11.5735 -11.5733 -9.8909 -9.8906 -7.8025 -7.8001 -7.7104 -7.7096 -3.5594 -3.5573 -0.9441 -0.9391 0.1248 0.1348 0.3172 0.3194 2.8728 2.8740 3.3412 3.3424 3.9307 3.9348 5.1304 5.1328 5.1387 5.1423 5.6503 5.6515 6.3064 6.3092 6.8029 6.8040 13.1683 13.1690 13.8911 13.8912 14.3074 14.3127 14.8173 14.8225 k = 0.0786 0.4157 0.4898 ( 8874 PWs) bands (ev): -36.8990 -36.8990 -36.8885 -36.8885 -11.5570 -11.5569 -9.9109 -9.9106 -7.8114 -7.8088 -7.7147 -7.7138 -3.5270 -3.5247 -0.9887 -0.9837 0.1424 0.1528 0.3301 0.3326 2.8595 2.8609 3.3305 3.3317 3.9416 3.9459 5.1408 5.1423 5.1698 5.1747 5.6587 5.6600 6.2992 6.3023 6.7888 6.7900 13.1904 13.1912 13.8923 13.8924 14.2821 14.2879 14.7995 14.8053 k = 0.0857 0.4078 0.5004 ( 8876 PWs) bands (ev): -36.8989 -36.8989 -36.8886 -36.8886 -11.5391 -11.5390 -9.9327 -9.9325 -7.8204 -7.8177 -7.7193 -7.7183 -3.4922 -3.4898 -1.0352 -1.0302 0.1598 0.1706 0.3434 0.3462 2.8472 2.8486 3.3193 3.3206 3.9530 3.9574 5.1491 5.1507 5.2044 5.2096 5.6665 5.6680 6.2925 6.2959 6.7737 6.7749 13.2137 13.2147 13.8949 13.8950 14.2557 14.2619 14.7809 14.7873 k = 0.0929 0.3999 0.5111 ( 8880 PWs) bands (ev): -36.8988 -36.8988 -36.8887 -36.8887 -11.5197 -11.5195 -9.9564 -9.9561 -7.8293 -7.8265 -7.7242 -7.7231 -3.4551 -3.4526 -1.0833 -1.0784 0.1769 0.1879 0.3569 0.3600 2.8362 2.8376 3.3079 3.3092 3.9649 3.9694 5.1564 5.1580 5.2407 5.2462 5.6735 5.6752 6.2866 6.2904 6.7575 6.7588 13.2381 13.2392 13.8992 13.8992 14.2285 14.2351 14.7618 14.7688 k = 0.1000 0.3920 0.5217 ( 8880 PWs) bands (ev): -36.8986 -36.8986 -36.8889 -36.8889 -11.4988 -11.4987 -9.9819 -9.9816 -7.8381 -7.8351 -7.7295 -7.7283 -3.4160 -3.4134 -1.1328 -1.1280 0.1934 0.2048 0.3704 0.3738 2.8267 2.8282 3.2962 3.2976 3.9773 3.9818 5.1624 5.1640 5.2783 5.2840 5.6796 5.6814 6.2820 6.2860 6.7405 6.7419 13.2632 13.2645 13.9050 13.9052 14.2006 14.2077 14.7424 14.7500 k = 0.1071 0.3841 0.5324 ( 8878 PWs) bands (ev): -36.8984 -36.8984 -36.8891 -36.8891 -11.4765 -11.4764 -10.0091 -10.0088 -7.8465 -7.8435 -7.7350 -7.7338 -3.3749 -3.3723 -1.1836 -1.1790 0.2095 0.2211 0.3836 0.3874 2.8190 2.8206 3.2845 3.2859 3.9903 3.9948 5.1666 5.1681 5.3169 5.3227 5.6846 5.6865 6.2788 6.2831 6.7226 6.7241 13.2889 13.2903 13.9123 13.9126 14.1726 14.1802 14.7230 14.7313 k = 0.1143 0.3762 0.5430 ( 8868 PWs) bands (ev): -36.8983 -36.8983 -36.8892 -36.8892 -11.4528 -11.4526 -10.0380 -10.0378 -7.8545 -7.8514 -7.7409 -7.7396 -3.3321 -3.3294 -1.2355 -1.2311 0.2249 0.2367 0.3963 0.4005 2.8134 2.8149 3.2727 3.2741 4.0040 4.0084 5.1685 5.1700 5.3561 5.3621 5.6887 5.6907 6.2773 6.2818 6.7040 6.7056 13.3147 13.3163 13.9206 13.9212 14.1449 14.1531 14.7039 14.7128 k = 0.1214 0.3683 0.5537 ( 8868 PWs) bands (ev): -36.8981 -36.8981 -36.8894 -36.8894 -11.4277 -11.4275 -10.0685 -10.0683 -7.8620 -7.8588 -7.7470 -7.7456 -3.2876 -3.2849 -1.2885 -1.2843 0.2398 0.2518 0.4085 0.4129 2.8099 2.8115 3.2608 3.2623 4.0185 4.0228 5.1676 5.1691 5.3957 5.4018 5.6920 5.6940 6.2776 6.2823 6.6848 6.6864 13.3404 13.3422 13.9294 13.9304 14.1184 14.1272 14.6853 14.6948 k = 0.1286 0.3604 0.5643 ( 8870 PWs) bands (ev): -36.8979 -36.8979 -36.8896 -36.8896 -11.4013 -11.4011 -10.1006 -10.1004 -7.8689 -7.8657 -7.7533 -7.7519 -3.2415 -3.2388 -1.3423 -1.3383 0.2541 0.2662 0.4198 0.4246 2.8086 2.8103 3.2490 3.2505 4.0339 4.0381 5.1633 5.1647 5.4353 5.4414 5.6948 5.6968 6.2798 6.2846 6.6651 6.6668 13.3657 13.3677 13.9371 13.9386 14.0947 14.1042 14.6675 14.6775 k = 0.1357 0.3525 0.5750 ( 8868 PWs) bands (ev): -36.8977 -36.8977 -36.8898 -36.8898 -11.3735 -11.3733 -10.1342 -10.1339 -7.8751 -7.8718 -7.7599 -7.7584 -3.1941 -3.1914 -1.3969 -1.3932 0.2679 0.2800 0.4301 0.4353 2.8098 2.8114 3.2373 3.2388 4.0503 4.0544 5.1551 5.1565 5.4745 5.4808 5.6977 5.6995 6.2836 6.2885 6.6450 6.6468 13.3903 13.3925 13.9414 13.9433 14.0765 14.0867 14.6505 14.6611 k = 0.1429 0.3446 0.5856 ( 8874 PWs) bands (ev): -36.8975 -36.8975 -36.8900 -36.8900 -11.3444 -11.3442 -10.1691 -10.1689 -7.8806 -7.8772 -7.7667 -7.7651 -3.1453 -3.1427 -1.4522 -1.4487 0.2811 0.2933 0.4393 0.4449 2.8133 2.8149 3.2256 3.2271 4.0680 4.0719 5.1427 5.1439 5.5132 5.5196 5.7009 5.7026 6.2890 6.2938 6.6247 6.6265 13.4140 13.4163 13.9388 13.9406 14.0678 14.0779 14.6345 14.6457 k = 0.1500 0.3367 0.5963 ( 8882 PWs) bands (ev): -36.8973 -36.8973 -36.8902 -36.8902 -11.3141 -11.3139 -10.2053 -10.2051 -7.8853 -7.8819 -7.7736 -7.7720 -3.0954 -3.0929 -1.5081 -1.5049 0.2937 0.3060 0.4474 0.4533 2.8190 2.8207 3.2140 3.2154 4.0869 4.0907 5.1256 5.1267 5.5510 5.5574 5.7051 5.7065 6.2956 6.3004 6.6042 6.6061 13.4365 13.4390 13.9276 13.9284 14.0706 14.0800 14.6197 14.6313 k = 0.1571 0.3288 0.6069 ( 8876 PWs) bands (ev): -36.8970 -36.8970 -36.8904 -36.8904 -11.2826 -11.2824 -10.2427 -10.2425 -7.8892 -7.8858 -7.7807 -7.7790 -3.0445 -3.0420 -1.5646 -1.5615 0.3059 0.3182 0.4541 0.4604 2.8270 2.8286 3.2024 3.2038 4.1074 4.1109 5.1039 5.1048 5.5876 5.5940 5.7105 5.7116 6.3032 6.3079 6.5838 6.5857 13.4577 13.4603 13.9090 13.9093 14.0828 14.0913 14.6059 14.6179 k = 0.1643 0.3209 0.6176 ( 8876 PWs) bands (ev): -36.8968 -36.8968 -36.8906 -36.8906 -11.2499 -11.2497 -10.2811 -10.2810 -7.8922 -7.8888 -7.7879 -7.7861 -2.9925 -2.9901 -1.6215 -1.6187 0.3176 0.3300 0.4595 0.4661 2.8371 2.8386 3.1909 3.1922 4.1295 4.1329 5.0775 5.0783 5.6226 5.6290 5.7172 5.7180 6.3114 6.3159 6.5636 6.5655 13.4774 13.4801 13.8856 13.8867 14.1011 14.1089 14.5931 14.6054 k = 0.1714 0.3130 0.6282 ( 8870 PWs) bands (ev): -36.8966 -36.8966 -36.8909 -36.8909 -11.2161 -11.2159 -10.3205 -10.3204 -7.8945 -7.8911 -7.7952 -7.7933 -2.9397 -2.9374 -1.6787 -1.6762 0.3289 0.3413 0.4636 0.4705 2.8490 2.8504 3.1792 3.1805 4.1534 4.1566 5.0468 5.0474 5.6558 5.6622 5.7253 5.7257 6.3199 6.3243 6.5438 6.5457 13.4956 13.4983 13.8605 13.8621 14.1232 14.1306 14.5810 14.5936 k = 0.1786 0.3051 0.6389 ( 8866 PWs) bands (ev): -36.8963 -36.8963 -36.8911 -36.8911 -11.1812 -11.1810 -10.3608 -10.3607 -7.8959 -7.8925 -7.8025 -7.8006 -2.8861 -2.8839 -1.7364 -1.7341 0.3398 0.3522 0.4663 0.4735 2.8625 2.8639 3.1675 3.1688 4.1793 4.1822 5.0120 5.0124 5.6869 5.6932 5.7348 5.7348 6.3285 6.3327 6.5246 6.5265 13.5123 13.5149 13.8350 13.8370 14.1478 14.1550 14.5696 14.5823 k = 0.1857 0.2972 0.6495 ( 8870 PWs) bands (ev): -36.8961 -36.8961 -36.8914 -36.8914 -11.1452 -11.1450 -10.4018 -10.4017 -7.8965 -7.8931 -7.8099 -7.8079 -2.8317 -2.8297 -1.7942 -1.7923 0.3504 0.3627 0.4677 0.4752 2.8774 2.8787 3.1557 3.1569 4.2071 4.2099 4.9736 4.9740 5.7155 5.7216 5.7450 5.7454 6.3369 6.3408 6.5062 6.5080 13.5275 13.5301 13.8099 13.8120 14.1740 14.1812 14.5584 14.5712 k = 0.1929 0.2893 0.6602 ( 8870 PWs) bands (ev): -36.8958 -36.8958 -36.8916 -36.8916 -11.1083 -11.1081 -10.4434 -10.4434 -7.8963 -7.8929 -7.8172 -7.8151 -2.7767 -2.7748 -1.8524 -1.8506 0.3606 0.3729 0.4679 0.4756 2.8934 2.8946 3.1436 3.1447 4.2372 4.2397 4.9322 4.9325 5.7412 5.7468 5.7560 5.7573 6.3450 6.3486 6.4887 6.4904 13.5415 13.5439 13.7856 13.7876 14.2013 14.2086 14.5471 14.5598 k = 0.2000 0.2814 0.6708 ( 8870 PWs) bands (ev): -36.8956 -36.8956 -36.8919 -36.8919 -11.0705 -11.0703 -10.4856 -10.4855 -7.8954 -7.8920 -7.8244 -7.8223 -2.7211 -2.7194 -1.9106 -1.9092 0.3704 0.3828 0.4669 0.4748 2.9103 2.9113 3.1313 3.1323 4.2694 4.2717 4.8884 4.8885 5.7636 5.7662 5.7680 5.7724 6.3525 6.3559 6.4723 6.4739 13.5544 13.5566 13.7623 13.7643 14.2293 14.2368 14.5353 14.5479 k = 0.2071 0.2735 0.6814 ( 8864 PWs) bands (ev): -36.8953 -36.8953 -36.8921 -36.8921 -11.0318 -11.0316 -10.5281 -10.5281 -7.8937 -7.8903 -7.8315 -7.8294 -2.6650 -2.6634 -1.9690 -1.9678 0.3800 0.3924 0.4648 0.4729 2.9277 2.9286 3.1187 3.1196 4.3039 4.3060 4.8426 4.8426 5.7784 5.7794 5.7843 5.7907 6.3596 6.3627 6.4573 6.4587 13.5665 13.5684 13.7403 13.7421 14.2575 14.2653 14.5227 14.5350 k = 0.2143 0.2656 0.6921 ( 8868 PWs) bands (ev): -36.8950 -36.8950 -36.8924 -36.8924 -10.9924 -10.9922 -10.5709 -10.5709 -7.8914 -7.8880 -7.8385 -7.8363 -2.6084 -2.6070 -2.0275 -2.0266 0.3891 0.4016 0.4617 0.4699 2.9454 2.9461 3.1056 3.1064 4.3407 4.3425 4.7952 4.7954 5.7899 5.7913 5.8003 5.8064 6.3662 6.3689 6.4437 6.4449 13.5780 13.5797 13.7198 13.7214 14.2856 14.2938 14.5089 14.5209 k = 0.2214 0.2577 0.7027 ( 8868 PWs) bands (ev): -36.8948 -36.8948 -36.8926 -36.8926 -10.9522 -10.9520 -10.6139 -10.6139 -7.8884 -7.8850 -7.8452 -7.8431 -2.5513 -2.5502 -2.0860 -2.0853 0.3979 0.4105 0.4578 0.4660 2.9632 2.9638 3.0921 3.0927 4.3796 4.3812 4.7470 4.7473 5.8006 5.8024 5.8128 5.8187 6.3723 6.3747 6.4317 6.4326 13.5892 13.5906 13.7007 13.7020 14.3134 14.3220 14.4938 14.5054 k = 0.2286 0.2498 0.7134 ( 8870 PWs) bands (ev): -36.8945 -36.8945 -36.8929 -36.8929 -10.9113 -10.9111 -10.6570 -10.6569 -7.8849 -7.8814 -7.8517 -7.8496 -2.4940 -2.4930 -2.1444 -2.1440 0.4062 0.4191 0.4532 0.4612 2.9809 2.9813 3.0780 3.0786 4.4206 4.4220 4.6984 4.6988 5.8102 5.8123 5.8218 5.8274 6.3782 6.3801 6.4211 6.4217 13.6004 13.6015 13.6831 13.6841 14.3404 14.3496 14.4770 14.4881 k = 0.2357 0.2419 0.7240 ( 8866 PWs) bands (ev): -36.8943 -36.8943 -36.8932 -36.8932 -10.8699 -10.8697 -10.7000 -10.6999 -7.8809 -7.8773 -7.8578 -7.8558 -2.4363 -2.4356 -2.2028 -2.2026 0.4138 0.4273 0.4482 0.4556 2.9983 2.9985 3.0635 3.0639 4.4635 4.4647 4.6498 4.6504 5.8183 5.8207 5.8273 5.8327 6.3840 6.3855 6.4120 6.4123 13.6119 13.6125 13.6670 13.6677 14.3664 14.3762 14.4587 14.4691 k = 0.2429 0.2340 0.7347 ( 8854 PWs) bands (ev): -36.8940 -36.8940 -36.8934 -36.8934 -10.8280 -10.8278 -10.7429 -10.7428 -7.8769 -7.8727 -7.8631 -7.8616 -2.3785 -2.3780 -2.2610 -2.2609 0.4200 0.4351 0.4435 0.4495 3.0150 3.0150 3.0486 3.0488 4.5081 4.5090 4.6018 4.6025 5.8244 5.8267 5.8295 5.8349 6.3898 6.3910 6.4041 6.4042 13.6235 13.6238 13.6527 13.6530 14.3907 14.4016 14.4391 14.4484 k = 0.2500 0.2261 0.7453 ( 8844 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7865 -10.7865 -10.7847 -10.7845 -7.8745 -7.8689 -7.8659 -7.8659 -2.3264 -2.3264 -2.3133 -2.3127 0.4228 0.4413 0.4413 0.4438 3.0273 3.0276 3.0368 3.0368 4.5508 4.5508 4.5578 4.5595 5.8274 5.8292 5.8292 5.8352 6.3946 6.3959 6.3986 6.3986 13.6320 13.6320 13.6435 13.6435 14.4077 14.4237 14.4237 14.4279 k = 0.2500 0.2261 0.7453 ( 8844 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7865 -10.7865 -10.7847 -10.7845 -7.8745 -7.8689 -7.8659 -7.8659 -2.3264 -2.3264 -2.3133 -2.3127 0.4228 0.4413 0.4413 0.4438 3.0273 3.0276 3.0368 3.0368 4.5508 4.5508 4.5578 4.5595 5.8274 5.8292 5.8292 5.8352 6.3946 6.3959 6.3986 6.3986 13.6320 13.6320 13.6435 13.6435 14.4077 14.4237 14.4237 14.4279 k = 0.2583 0.2337 0.7352 ( 8852 PWs) bands (ev): -36.8939 -36.8939 -36.8935 -36.8935 -10.8135 -10.8133 -10.7576 -10.7575 -7.8757 -7.8712 -7.8643 -7.8634 -2.3595 -2.3590 -2.2807 -2.2805 0.4223 0.4384 0.4430 0.4476 3.0191 3.0191 3.0448 3.0448 4.5207 4.5215 4.5859 4.5866 5.8273 5.8291 5.8293 5.8353 6.3929 6.3940 6.4014 6.4016 13.6244 13.6252 13.6489 13.6489 14.4014 14.4124 14.4341 14.4415 k = 0.2667 0.2412 0.7250 ( 8866 PWs) bands (ev): -36.8941 -36.8941 -36.8934 -36.8934 -10.8396 -10.8394 -10.7312 -10.7311 -7.8783 -7.8745 -7.8611 -7.8596 -2.3974 -2.3967 -2.2440 -2.2439 0.4218 0.4364 0.4469 0.4529 3.0052 3.0054 3.0577 3.0577 4.4839 4.4847 4.6161 4.6166 5.8269 5.8293 5.8302 5.8355 6.3924 6.3937 6.4050 6.4050 13.6086 13.6101 13.6593 13.6594 14.3963 14.4053 14.4493 14.4570 k = 0.2750 0.2488 0.7148 ( 8866 PWs) bands (ev): -36.8942 -36.8942 -36.8932 -36.8932 -10.8639 -10.8637 -10.7063 -10.7063 -7.8811 -7.8777 -7.8571 -7.8554 -2.4342 -2.4333 -2.2088 -2.2088 0.4224 0.4361 0.4521 0.4586 2.9892 2.9897 3.0723 3.0723 4.4437 4.4446 4.6444 4.6448 5.8243 5.8279 5.8342 5.8381 6.3940 6.3955 6.4080 6.4083 13.5881 13.5902 13.6717 13.6721 14.3962 14.4037 14.4646 14.4721 k = 0.2833 0.2563 0.7047 ( 8866 PWs) bands (ev): -36.8944 -36.8944 -36.8931 -36.8931 -10.8865 -10.8863 -10.6832 -10.6832 -7.8839 -7.8807 -7.8529 -7.8512 -2.4695 -2.4684 -2.1755 -2.1753 0.4242 0.4373 0.4581 0.4647 2.9719 2.9726 3.0881 3.0883 4.4008 4.4017 4.6701 4.6704 5.8210 5.8250 5.8403 5.8435 6.3974 6.3990 6.4106 6.4110 13.5639 13.5666 13.6859 13.6864 14.4009 14.4071 14.4792 14.4861 k = 0.2917 0.2638 0.6945 ( 8877 PWs) bands (ev): -36.8945 -36.8945 -36.8929 -36.8929 -10.9072 -10.9071 -10.6619 -10.6618 -7.8865 -7.8835 -7.8486 -7.8469 -2.5029 -2.5016 -2.1441 -2.1437 0.4273 0.4401 0.4647 0.4712 2.9536 2.9544 3.1050 3.1052 4.3555 4.3564 4.6924 4.6926 5.8179 5.8221 5.8481 5.8508 6.4021 6.4038 6.4127 6.4134 13.5369 13.5402 13.7014 13.7022 14.4095 14.4146 14.4924 14.4988 k = 0.3000 0.2714 0.6843 ( 8877 PWs) bands (ev): -36.8946 -36.8946 -36.8928 -36.8928 -10.9262 -10.9260 -10.6424 -10.6424 -7.8890 -7.8861 -7.8442 -7.8427 -2.5341 -2.5326 -2.1146 -2.1140 0.4316 0.4442 0.4719 0.4782 2.9346 2.9356 3.1228 3.1230 4.3083 4.3092 4.7106 4.7107 5.8160 5.8202 5.8573 5.8596 6.4076 6.4093 6.4146 6.4154 13.5081 13.5118 13.7180 13.7190 14.4215 14.4257 14.5041 14.5099 k = 0.3083 0.2789 0.6742 ( 8883 PWs) bands (ev): -36.8947 -36.8947 -36.8927 -36.8927 -10.9433 -10.9431 -10.6248 -10.6248 -7.8913 -7.8884 -7.8400 -7.8386 -2.5626 -2.5609 -2.0872 -2.0864 0.4371 0.4494 0.4795 0.4855 2.9155 2.9166 3.1411 3.1415 4.2598 4.2607 4.7241 4.7243 5.8159 5.8199 5.8675 5.8694 6.4131 6.4140 6.4173 6.4176 13.4783 13.4823 13.7352 13.7363 14.4360 14.4394 14.5141 14.5192 k = 0.3167 0.2865 0.6640 ( 8876 PWs) bands (ev): -36.8948 -36.8948 -36.8926 -36.8926 -10.9585 -10.9583 -10.6093 -10.6092 -7.8934 -7.8906 -7.8360 -7.8347 -2.5881 -2.5863 -2.0619 -2.0609 0.4436 0.4557 0.4875 0.4931 2.8964 2.8976 3.1598 3.1603 4.2104 4.2112 4.7326 4.7328 5.8182 5.8220 5.8783 5.8799 6.4159 6.4167 6.4215 6.4227 13.4480 13.4522 13.7523 13.7536 14.4524 14.4551 14.5223 14.5268 k = 0.3250 0.2940 0.6539 ( 8872 PWs) bands (ev): -36.8949 -36.8949 -36.8925 -36.8925 -10.9719 -10.9717 -10.5958 -10.5957 -7.8953 -7.8925 -7.8323 -7.8312 -2.6105 -2.6084 -2.0388 -2.0376 0.4508 0.4628 0.4957 0.5009 2.8776 2.8788 3.1786 3.1792 4.1607 4.1615 4.7357 4.7360 5.8233 5.8269 5.8895 5.8907 6.4168 6.4182 6.4269 6.4285 13.4180 13.4223 13.7685 13.7700 14.4700 14.4724 14.5291 14.5328 k = 0.3333 0.3015 0.6437 ( 8882 PWs) bands (ev): -36.8950 -36.8950 -36.8924 -36.8924 -10.9834 -10.9831 -10.5844 -10.5842 -7.8969 -7.8942 -7.8290 -7.8280 -2.6293 -2.6271 -2.0181 -2.0166 0.4587 0.4705 0.5042 0.5089 2.8595 2.8608 3.1971 3.1979 4.1114 4.1121 4.7335 4.7339 5.8313 5.8347 5.9007 5.9016 6.4175 6.4193 6.4321 6.4338 13.3886 13.3930 13.7827 13.7845 14.4885 14.4906 14.5352 14.5380 k = 0.3417 0.3091 0.6335 ( 8878 PWs) bands (ev): -36.8951 -36.8951 -36.8924 -36.8924 -10.9929 -10.9927 -10.5751 -10.5749 -7.8983 -7.8957 -7.8262 -7.8254 -2.6444 -2.6420 -1.9997 -1.9979 0.4671 0.4787 0.5128 0.5169 2.8423 2.8435 3.2150 3.2159 4.0631 4.0637 4.7260 4.7265 5.8424 5.8454 5.9117 5.9123 6.4182 6.4203 6.4365 6.4383 13.3603 13.3647 13.7939 13.7959 14.5072 14.5093 14.5413 14.5431 k = 0.3500 0.3166 0.6234 ( 8881 PWs) bands (ev): -36.8951 -36.8951 -36.8923 -36.8923 -11.0006 -11.0004 -10.5679 -10.5677 -7.8994 -7.8968 -7.8239 -7.8232 -2.6555 -2.6529 -1.9837 -1.9817 0.4758 0.4872 0.5214 0.5249 2.8263 2.8275 3.2317 3.2328 4.0166 4.0171 4.7135 4.7141 5.8561 5.8589 5.9221 5.9223 6.4189 6.4213 6.4400 6.4418 13.3334 13.3377 13.8008 13.8030 14.5255 14.5281 14.5490 14.5495 k = 0.3583 0.3241 0.6132 ( 8887 PWs) bands (ev): -36.8951 -36.8951 -36.8923 -36.8923 -11.0064 -11.0061 -10.5630 -10.5628 -7.9003 -7.8978 -7.8222 -7.8217 -2.6625 -2.6596 -1.9701 -1.9678 0.4846 0.4958 0.5298 0.5328 2.8117 2.8128 3.2465 3.2478 3.9728 3.9731 4.6963 4.6970 5.8724 5.8749 5.9316 5.9317 6.4199 6.4225 6.4422 6.4441 13.3080 13.3123 13.8021 13.8045 14.5422 14.5454 14.5596 14.5605 k = 0.3667 0.3317 0.6030 ( 8883 PWs) bands (ev): -36.8952 -36.8952 -36.8923 -36.8923 -11.0102 -11.0099 -10.5602 -10.5600 -7.9009 -7.8985 -7.8211 -7.8208 -2.6651 -2.6621 -1.9591 -1.9565 0.4933 0.5044 0.5380 0.5403 2.7987 2.7997 3.2586 3.2602 3.9328 3.9329 4.6750 4.6758 5.8906 5.8929 5.9399 5.9403 6.4211 6.4240 6.4432 6.4450 13.2844 13.2885 13.7968 13.7994 14.5573 14.5603 14.5753 14.5767 k = 0.3750 0.3392 0.5929 ( 8881 PWs) bands (ev): -36.8952 -36.8952 -36.8923 -36.8923 -11.0121 -11.0118 -10.5597 -10.5594 -7.9013 -7.8989 -7.8208 -7.8206 -2.6633 -2.6601 -1.9506 -1.9478 0.5018 0.5128 0.5458 0.5474 2.7876 2.7885 3.2670 3.2689 3.8975 3.8977 4.6501 4.6509 5.9103 5.9124 5.9470 5.9477 6.4227 6.4258 6.4427 6.4446 13.2626 13.2665 13.7841 13.7868 14.5736 14.5759 14.5946 14.5957 k = 0.3833 0.3468 0.5827 ( 8875 PWs) bands (ev): -36.8952 -36.8952 -36.8923 -36.8923 -11.0121 -11.0118 -10.5614 -10.5610 -7.9014 -7.8990 -7.8211 -7.8211 -2.6570 -2.6535 -1.9447 -1.9416 0.5101 0.5208 0.5531 0.5540 2.7785 2.7792 3.2707 3.2729 3.8684 3.8687 4.6219 4.6228 5.9310 5.9328 5.9528 5.9537 6.4248 6.4279 6.4410 6.4429 13.2428 13.2464 13.7637 13.7665 14.5931 14.5948 14.6152 14.6162 k = 0.3917 0.3543 0.5725 ( 8885 PWs) bands (ev): -36.8952 -36.8952 -36.8923 -36.8923 -11.0101 -11.0097 -10.5653 -10.5649 -7.9012 -7.8989 -7.8223 -7.8221 -2.6461 -2.6424 -1.9414 -1.9380 0.5178 0.5283 0.5597 0.5599 2.7716 2.7722 3.2686 3.2710 3.8465 3.8472 4.5910 4.5920 5.9516 5.9528 5.9580 5.9586 6.4272 6.4301 6.4384 6.4399 13.2248 13.2281 13.7358 13.7386 14.6163 14.6177 14.6369 14.6378 k = 0.4000 0.3618 0.5624 ( 8876 PWs) bands (ev): -36.8951 -36.8951 -36.8923 -36.8923 -11.0061 -11.0058 -10.5714 -10.5710 -7.9008 -7.8985 -7.8241 -7.8237 -2.6306 -2.6268 -1.9407 -1.9370 0.5250 0.5353 0.5650 0.5655 2.7671 2.7675 3.2601 3.2628 3.8329 3.8338 4.5579 4.5590 5.9592 5.9607 5.9731 5.9749 6.4302 6.4308 6.4358 6.4366 13.2087 13.2117 13.7011 13.7039 14.6426 14.6440 14.6599 14.6610 k = 0.4083 0.3694 0.5522 ( 8880 PWs) bands (ev): -36.8951 -36.8951 -36.8924 -36.8924 -11.0003 -10.9999 -10.5797 -10.5793 -7.9001 -7.8978 -7.8266 -7.8261 -2.6106 -2.6066 -1.9426 -1.9386 0.5314 0.5415 0.5692 0.5705 2.7651 2.7653 3.2452 3.2481 3.8278 3.8288 4.5230 4.5240 5.9605 5.9622 5.9925 5.9942 6.4272 6.4305 6.4340 6.4387 13.1945 13.1972 13.6606 13.6634 14.6703 14.6721 14.6856 14.6872 k = 0.4167 0.3769 0.5420 ( 8884 PWs) bands (ev): -36.8950 -36.8950 -36.8924 -36.8924 -10.9924 -10.9920 -10.5902 -10.5898 -7.8992 -7.8969 -7.8297 -7.8290 -2.5861 -2.5819 -1.9471 -1.9428 0.5371 0.5470 0.5724 0.5744 2.7656 2.7657 3.2243 3.2272 3.8307 3.8318 4.4866 4.4876 5.9602 5.9621 6.0100 6.0118 6.4221 6.4255 6.4377 6.4424 13.1820 13.1844 13.6154 13.6181 14.6971 14.6992 14.7161 14.7179 k = 0.4250 0.3844 0.5319 ( 8878 PWs) bands (ev): -36.8949 -36.8949 -36.8925 -36.8925 -10.9826 -10.9822 -10.6029 -10.6024 -7.8979 -7.8957 -7.8333 -7.8324 -2.5573 -2.5529 -1.9542 -1.9497 0.5418 0.5515 0.5747 0.5773 2.7686 2.7690 3.1984 3.2014 3.8408 3.8420 4.4490 4.4501 5.9584 5.9605 6.0245 6.0264 6.4171 6.4207 6.4419 6.4466 13.1713 13.1733 13.5666 13.5693 14.7231 14.7253 14.7507 14.7526 k = 0.4333 0.3920 0.5217 ( 8876 PWs) bands (ev): -36.8949 -36.8949 -36.8926 -36.8926 -10.9708 -10.9704 -10.6177 -10.6172 -7.8965 -7.8943 -7.8373 -7.8363 -2.5242 -2.5196 -1.9639 -1.9591 0.5456 0.5550 0.5758 0.5790 2.7743 2.7749 3.1687 3.1717 3.8570 3.8582 4.4106 4.4117 5.9552 5.9574 6.0350 6.0369 6.4133 6.4170 6.4465 6.4511 13.1621 13.1637 13.5155 13.5180 14.7494 14.7517 14.7872 14.7893 k = 0.4417 0.3995 0.5115 ( 8882 PWs) bands (ev): -36.8948 -36.8948 -36.8927 -36.8927 -10.9571 -10.9567 -10.6345 -10.6340 -7.8947 -7.8926 -7.8417 -7.8405 -2.4871 -2.4823 -1.9762 -1.9712 0.5484 0.5575 0.5758 0.5796 2.7827 2.7835 3.1365 3.1394 3.8782 3.8793 4.3717 4.3727 5.9507 5.9529 6.0402 6.0422 6.4115 6.4154 6.4512 6.4559 13.1545 13.1557 13.4631 13.4655 14.7767 14.7792 14.8243 14.8266 k = 0.4500 0.4071 0.5014 ( 8874 PWs) bands (ev): -36.8946 -36.8946 -36.8928 -36.8928 -10.9414 -10.9410 -10.6534 -10.6529 -7.8928 -7.8907 -7.8464 -7.8451 -2.4461 -2.4411 -1.9911 -1.9859 0.5502 0.5588 0.5747 0.5790 2.7938 2.7949 3.1027 3.1057 3.9034 3.9045 4.3324 4.3334 5.9450 5.9472 6.0391 6.0412 6.4126 6.4167 6.4561 6.4607 13.1482 13.1490 13.4104 13.4128 14.8051 14.8080 14.8607 14.8633 k = 0.4583 0.4146 0.4912 ( 8868 PWs) bands (ev): -36.8945 -36.8945 -36.8929 -36.8929 -10.9238 -10.9233 -10.6743 -10.6738 -7.8906 -7.8885 -7.8513 -7.8499 -2.4015 -2.3963 -2.0085 -2.0031 0.5508 0.5588 0.5726 0.5771 2.8075 2.8088 3.0685 3.0713 3.9317 3.9327 4.2930 4.2940 5.9381 5.9403 6.0310 6.0331 6.4172 6.4214 6.4611 6.4656 13.1432 13.1436 13.3584 13.3606 14.8348 14.8380 14.8954 14.8982 k = 0.4667 0.4221 0.4811 ( 8869 PWs) bands (ev): -36.8944 -36.8944 -36.8931 -36.8931 -10.9042 -10.9037 -10.6972 -10.6966 -7.8881 -7.8861 -7.8562 -7.8547 -2.3534 -2.3480 -2.0284 -2.0228 0.5503 0.5575 0.5696 0.5740 2.8237 2.8253 3.0344 3.0372 3.9625 3.9635 4.2537 4.2546 5.9302 5.9324 6.0156 6.0178 6.4254 6.4296 6.4660 6.4705 13.1393 13.1393 13.3077 13.3098 14.8659 14.8694 14.9271 14.9302 k = 0.4750 0.4297 0.4709 ( 8871 PWs) bands (ev): -36.8942 -36.8942 -36.8932 -36.8932 -10.8826 -10.8821 -10.7219 -10.7213 -7.8855 -7.8835 -7.8611 -7.8595 -2.3023 -2.2967 -2.0509 -2.0451 0.5486 0.5546 0.5658 0.5698 2.8424 2.8442 3.0012 3.0039 3.9952 3.9961 4.2146 4.2155 5.9213 5.9235 5.9932 5.9954 6.4368 6.4410 6.4709 6.4753 13.1361 13.1365 13.2592 13.2612 14.8982 14.9019 14.9547 14.9582 k = 0.4833 0.4372 0.4607 ( 8878 PWs) bands (ev): -36.8941 -36.8941 -36.8934 -36.8934 -10.8591 -10.8586 -10.7483 -10.7478 -7.8827 -7.8808 -7.8659 -7.8642 -2.2483 -2.2426 -2.0757 -2.0698 0.5458 0.5501 0.5614 0.5645 2.8633 2.8653 2.9694 2.9719 4.0293 4.0302 4.1760 4.1769 5.9116 5.9138 5.9644 5.9665 6.4509 6.4550 6.4756 6.4799 13.1339 13.1347 13.2134 13.2152 14.9313 14.9353 14.9770 14.9808 k = 0.4917 0.4448 0.4506 ( 8884 PWs) bands (ev): -36.8939 -36.8939 -36.8936 -36.8936 -10.8337 -10.8332 -10.7765 -10.7760 -7.8799 -7.8783 -7.8700 -7.8686 -2.1919 -2.1860 -2.1029 -2.0969 0.5418 0.5440 0.5565 0.5581 2.8864 2.8886 2.9394 2.9419 4.0646 4.0654 4.1380 4.1388 5.9011 5.9032 5.9298 5.9318 6.4667 6.4706 6.4805 6.4844 13.1325 13.1337 13.1709 13.1726 14.9648 14.9688 14.9932 14.9971 k = 0.5000 0.4523 0.4404 ( 8890 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.8070 -10.8070 -10.8052 -10.8052 -7.8778 -7.8778 -7.8717 -7.8717 -2.1355 -2.1355 -2.1241 -2.1241 0.5365 0.5365 0.5508 0.5508 2.9102 2.9102 2.9153 2.9153 4.0998 4.0998 4.1024 4.1024 5.8895 5.8895 5.8923 5.8923 6.4832 6.4832 6.4893 6.4893 13.1315 13.1315 13.1341 13.1341 14.9960 14.9960 15.0082 15.0082 k = 0.5000 0.4523 0.4404 ( 8890 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.8070 -10.8070 -10.8052 -10.8052 -7.8778 -7.8778 -7.8717 -7.8717 -2.1355 -2.1355 -2.1241 -2.1241 0.5365 0.5365 0.5508 0.5508 2.9102 2.9102 2.9153 2.9153 4.0998 4.0998 4.1024 4.1024 5.8895 5.8895 5.8923 5.8923 6.4832 6.4832 6.4893 6.4893 13.1315 13.1315 13.1341 13.1341 14.9960 14.9960 15.0082 15.0082 k = 0.5000 0.4523 0.4252 ( 8882 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.8088 -10.8088 -10.8069 -10.8069 -7.8784 -7.8784 -7.8723 -7.8723 -2.1141 -2.1141 -2.1023 -2.1023 0.5263 0.5263 0.5406 0.5406 2.9105 2.9105 2.9156 2.9156 4.0998 4.0998 4.1021 4.1021 5.8477 5.8477 5.8503 5.8503 6.5000 6.5000 6.5060 6.5060 13.1040 13.1040 13.1069 13.1069 15.0252 15.0252 15.0366 15.0366 k = 0.5000 0.4523 0.4100 ( 8872 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.8105 -10.8105 -10.8086 -10.8086 -7.8790 -7.8790 -7.8728 -7.8728 -2.0930 -2.0930 -2.0810 -2.0810 0.5165 0.5165 0.5310 0.5310 2.9121 2.9121 2.9172 2.9172 4.1001 4.1001 4.1022 4.1022 5.8029 5.8029 5.8052 5.8052 6.5176 6.5176 6.5234 6.5234 13.0771 13.0771 13.0801 13.0801 15.0543 15.0543 15.0648 15.0648 k = 0.5000 0.4523 0.3948 ( 8878 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.8123 -10.8123 -10.8104 -10.8104 -7.8794 -7.8794 -7.8732 -7.8732 -2.0724 -2.0724 -2.0601 -2.0601 0.5073 0.5073 0.5219 0.5219 2.9153 2.9153 2.9204 2.9204 4.1009 4.1009 4.1027 4.1027 5.7553 5.7553 5.7573 5.7573 6.5356 6.5356 6.5412 6.5412 13.0512 13.0512 13.0544 13.0544 15.0815 15.0815 15.0909 15.0909 k = 0.5000 0.4523 0.3796 ( 8878 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.8142 -10.8142 -10.8122 -10.8122 -7.8796 -7.8796 -7.8735 -7.8735 -2.0524 -2.0524 -2.0399 -2.0399 0.4989 0.4989 0.5135 0.5135 2.9200 2.9200 2.9251 2.9251 4.1020 4.1020 4.1035 4.1035 5.7053 5.7053 5.7071 5.7071 6.5536 6.5536 6.5591 6.5591 13.0266 13.0266 13.0300 13.0300 15.1042 15.1042 15.1123 15.1123 k = 0.5000 0.4523 0.3645 ( 8874 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.8160 -10.8160 -10.8141 -10.8141 -7.8798 -7.8798 -7.8738 -7.8738 -2.0330 -2.0330 -2.0204 -2.0204 0.4913 0.4913 0.5058 0.5058 2.9263 2.9263 2.9314 2.9314 4.1034 4.1034 4.1047 4.1047 5.6531 5.6531 5.6547 5.6547 6.5714 6.5714 6.5767 6.5767 13.0037 13.0037 13.0072 13.0072 15.1196 15.1196 15.1264 15.1264 k = 0.5000 0.4523 0.3493 ( 8874 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.8178 -10.8178 -10.8159 -10.8159 -7.8799 -7.8799 -7.8739 -7.8739 -2.0145 -2.0145 -2.0018 -2.0018 0.4846 0.4846 0.4990 0.4990 2.9344 2.9344 2.9395 2.9395 4.1050 4.1050 4.1061 4.1061 5.5991 5.5991 5.6006 5.6006 6.5890 6.5890 6.5941 6.5941 12.9828 12.9828 12.9864 12.9864 15.1246 15.1246 15.1305 15.1305 k = 0.5000 0.4523 0.3341 ( 8870 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.8197 -10.8197 -10.8178 -10.8178 -7.8798 -7.8798 -7.8739 -7.8739 -1.9969 -1.9969 -1.9842 -1.9842 0.4788 0.4788 0.4931 0.4931 2.9443 2.9443 2.9493 2.9493 4.1069 4.1069 4.1078 4.1078 5.5434 5.5434 5.5450 5.5450 6.6060 6.6060 6.6109 6.6109 12.9641 12.9641 12.9678 12.9678 15.1174 15.1174 15.1230 15.1230 k = 0.5000 0.4523 0.3189 ( 8870 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.8215 -10.8215 -10.8196 -10.8196 -7.8796 -7.8796 -7.8738 -7.8738 -1.9804 -1.9804 -1.9677 -1.9677 0.4740 0.4740 0.4882 0.4882 2.9560 2.9560 2.9610 2.9610 4.1087 4.1087 4.1096 4.1096 5.4864 5.4864 5.4880 5.4880 6.6223 6.6223 6.6271 6.6271 12.9479 12.9479 12.9517 12.9517 15.0982 15.0982 15.1037 15.1037 k = 0.5000 0.4523 0.3037 ( 8870 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.8233 -10.8233 -10.8215 -10.8215 -7.8793 -7.8793 -7.8737 -7.8737 -1.9649 -1.9649 -1.9523 -1.9523 0.4703 0.4703 0.4842 0.4842 2.9695 2.9695 2.9745 2.9745 4.1106 4.1106 4.1116 4.1116 5.4282 5.4282 5.4300 5.4300 6.6380 6.6380 6.6426 6.6426 12.9343 12.9343 12.9381 12.9381 15.0683 15.0683 15.0739 15.0739 k = 0.5000 0.4523 0.2885 ( 8874 PWs) bands (ev): -36.8938 -36.8938 -36.8938 -36.8938 -10.8251 -10.8251 -10.8233 -10.8233 -7.8789 -7.8789 -7.8734 -7.8734 -1.9505 -1.9505 -1.9381 -1.9381 0.4675 0.4675 0.4812 0.4812 2.9850 2.9850 2.9900 2.9900 4.1123 4.1123 4.1136 4.1136 5.3691 5.3691 5.3712 5.3712 6.6529 6.6529 6.6573 6.6573 12.9235 12.9235 12.9274 12.9274 15.0300 15.0300 15.0357 15.0357 k = 0.5000 0.4523 0.2733 ( 8870 PWs) bands (ev): -36.8938 -36.8938 -36.8938 -36.8938 -10.8268 -10.8268 -10.8251 -10.8251 -7.8785 -7.8785 -7.8731 -7.8731 -1.9373 -1.9373 -1.9251 -1.9251 0.4658 0.4658 0.4791 0.4791 3.0024 3.0024 3.0073 3.0073 4.1138 4.1138 4.1155 4.1155 5.3095 5.3095 5.3118 5.3118 6.6669 6.6669 6.6711 6.6711 12.9156 12.9156 12.9195 12.9195 14.9853 14.9853 14.9910 14.9910 k = 0.5000 0.4523 0.2582 ( 8874 PWs) bands (ev): -36.8938 -36.8938 -36.8938 -36.8938 -10.8285 -10.8285 -10.8268 -10.8268 -7.8779 -7.8779 -7.8727 -7.8727 -1.9252 -1.9252 -1.9133 -1.9133 0.4651 0.4651 0.4780 0.4780 3.0217 3.0217 3.0266 3.0266 4.1150 4.1150 4.1170 4.1170 5.2495 5.2495 5.2522 5.2522 6.6801 6.6801 6.6841 6.6841 12.9107 12.9107 12.9146 12.9146 14.9358 14.9358 14.9414 14.9414 k = 0.5000 0.4523 0.2430 ( 8862 PWs) bands (ev): -36.8938 -36.8938 -36.8938 -36.8938 -10.8301 -10.8301 -10.8285 -10.8285 -7.8773 -7.8773 -7.8723 -7.8723 -1.9143 -1.9143 -1.9028 -1.9028 0.4652 0.4652 0.4777 0.4777 3.0430 3.0430 3.0478 3.0478 4.1158 4.1158 4.1182 4.1182 5.1896 5.1896 5.1926 5.1926 6.6923 6.6923 6.6961 6.6961 12.9088 12.9088 12.9127 12.9127 14.8827 14.8827 14.8883 14.8883 k = 0.5000 0.4523 0.2278 ( 8852 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.8317 -10.8317 -10.8302 -10.8302 -7.8765 -7.8765 -7.8718 -7.8718 -1.9045 -1.9045 -1.8934 -1.8934 0.4662 0.4662 0.4782 0.4782 3.0661 3.0661 3.0709 3.0709 4.1159 4.1159 4.1187 4.1187 5.1300 5.1300 5.1333 5.1333 6.7037 6.7037 6.7073 6.7073 12.9098 12.9098 12.9137 12.9137 14.8272 14.8272 14.8326 14.8326 k = 0.5000 0.4523 0.2126 ( 8846 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.8332 -10.8332 -10.8318 -10.8318 -7.8758 -7.8758 -7.8713 -7.8713 -1.8958 -1.8958 -1.8852 -1.8852 0.4680 0.4680 0.4794 0.4794 3.0910 3.0910 3.0958 3.0958 4.1152 4.1152 4.1185 4.1185 5.0711 5.0711 5.0748 5.0748 6.7141 6.7141 6.7175 6.7175 12.9138 12.9138 12.9177 12.9177 14.7699 14.7699 14.7752 14.7752 k = 0.5000 0.4523 0.1974 ( 8838 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.8347 -10.8347 -10.8333 -10.8333 -7.8750 -7.8750 -7.8708 -7.8708 -1.8882 -1.8882 -1.8781 -1.8781 0.4704 0.4704 0.4812 0.4812 3.1177 3.1177 3.1224 3.1224 4.1135 4.1135 4.1173 4.1173 5.0135 5.0135 5.0174 5.0174 6.7237 6.7237 6.7269 6.7269 12.9206 12.9206 12.9244 12.9244 14.7117 14.7117 14.7168 14.7168 k = 0.5000 0.4523 0.1822 ( 8848 PWs) bands (ev): -36.8938 -36.8938 -36.8938 -36.8938 -10.8360 -10.8360 -10.8347 -10.8347 -7.8742 -7.8742 -7.8702 -7.8702 -1.8815 -1.8815 -1.8720 -1.8720 0.4733 0.4733 0.4835 0.4835 3.1459 3.1459 3.1506 3.1506 4.1105 4.1105 4.1148 4.1148 4.9574 4.9574 4.9617 4.9617 6.7324 6.7324 6.7353 6.7353 12.9301 12.9301 12.9338 12.9338 14.6531 14.6531 14.6580 14.6580 k = 0.5000 0.4523 0.1670 ( 8852 PWs) bands (ev): -36.8938 -36.8938 -36.8938 -36.8938 -10.8373 -10.8373 -10.8361 -10.8361 -7.8734 -7.8734 -7.8697 -7.8697 -1.8758 -1.8758 -1.8669 -1.8669 0.4767 0.4767 0.4861 0.4861 3.1756 3.1756 3.1802 3.1802 4.1061 4.1061 4.1108 4.1108 4.9035 4.9035 4.9080 4.9080 6.7402 6.7402 6.7429 6.7429 12.9420 12.9420 12.9456 12.9456 14.5947 14.5947 14.5994 14.5994 k = 0.5000 0.4523 0.1519 ( 8842 PWs) bands (ev): -36.8938 -36.8938 -36.8938 -36.8938 -10.8385 -10.8385 -10.8374 -10.8374 -7.8725 -7.8725 -7.8691 -7.8691 -1.8708 -1.8708 -1.8626 -1.8626 0.4803 0.4803 0.4890 0.4890 3.2065 3.2065 3.2110 3.2110 4.1000 4.1000 4.1051 4.1051 4.8523 4.8523 4.8570 4.8570 6.7472 6.7472 6.7497 6.7497 12.9560 12.9560 12.9595 12.9595 14.5372 14.5372 14.5416 14.5416 k = 0.5000 0.4523 0.1367 ( 8834 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.8396 -10.8396 -10.8385 -10.8385 -7.8717 -7.8717 -7.8686 -7.8686 -1.8666 -1.8666 -1.8592 -1.8592 0.4840 0.4840 0.4920 0.4920 3.2384 3.2384 3.2427 3.2427 4.0920 4.0920 4.0975 4.0975 4.8045 4.8045 4.8093 4.8093 6.7534 6.7534 6.7557 6.7557 12.9718 12.9718 12.9751 12.9751 14.4812 14.4812 14.4854 14.4854 k = 0.5000 0.4523 0.1215 ( 8834 PWs) bands (ev): -36.8938 -36.8938 -36.8938 -36.8938 -10.8405 -10.8405 -10.8396 -10.8396 -7.8709 -7.8709 -7.8682 -7.8682 -1.8631 -1.8631 -1.8564 -1.8564 0.4879 0.4879 0.4950 0.4950 3.2707 3.2707 3.2749 3.2749 4.0821 4.0821 4.0877 4.0877 4.7605 4.7605 4.7653 4.7653 6.7589 6.7589 6.7609 6.7609 12.9889 12.9889 12.9921 12.9921 14.4275 14.4275 14.4314 14.4314 k = 0.5000 0.4523 0.1063 ( 8838 PWs) bands (ev): -36.8938 -36.8938 -36.8938 -36.8938 -10.8414 -10.8414 -10.8406 -10.8406 -7.8702 -7.8702 -7.8677 -7.8677 -1.8602 -1.8602 -1.8542 -1.8542 0.4916 0.4916 0.4979 0.4979 3.3031 3.3031 3.3071 3.3071 4.0701 4.0701 4.0759 4.0759 4.7210 4.7210 4.7257 4.7257 6.7636 6.7636 6.7654 6.7654 13.0068 13.0068 13.0097 13.0097 14.3768 14.3768 14.3804 14.3804 k = 0.5000 0.4523 0.0911 ( 8834 PWs) bands (ev): -36.8938 -36.8938 -36.8938 -36.8938 -10.8422 -10.8422 -10.8415 -10.8415 -7.8695 -7.8695 -7.8674 -7.8674 -1.8577 -1.8577 -1.8526 -1.8526 0.4951 0.4951 0.5006 0.5006 3.3349 3.3349 3.3387 3.3387 4.0565 4.0565 4.0621 4.0621 4.6865 4.6865 4.6909 4.6909 6.7677 6.7677 6.7692 6.7692 13.0249 13.0249 13.0275 13.0275 14.3300 14.3300 14.3332 14.3332 k = 0.5000 0.4523 0.0759 ( 8830 PWs) bands (ev): -36.8938 -36.8938 -36.8938 -36.8938 -10.8428 -10.8428 -10.8422 -10.8422 -7.8689 -7.8689 -7.8671 -7.8671 -1.8557 -1.8557 -1.8514 -1.8514 0.4983 0.4983 0.5029 0.5029 3.3652 3.3652 3.3687 3.3687 4.0417 4.0417 4.0470 4.0470 4.6573 4.6573 4.6613 4.6613 6.7710 6.7710 6.7723 6.7723 13.0423 13.0423 13.0446 13.0446 14.2880 14.2880 14.2908 14.2908 k = 0.5000 0.4523 0.0607 ( 8830 PWs) bands (ev): -36.8938 -36.8938 -36.8938 -36.8938 -10.8433 -10.8433 -10.8428 -10.8428 -7.8683 -7.8683 -7.8669 -7.8669 -1.8541 -1.8541 -1.8506 -1.8506 0.5012 0.5012 0.5049 0.5049 3.3930 3.3930 3.3961 3.3961 4.0267 4.0267 4.0314 4.0314 4.6336 4.6336 4.6370 4.6370 6.7738 6.7738 6.7748 6.7748 13.0583 13.0583 13.0603 13.0603 14.2518 14.2518 14.2542 14.2542 k = 0.5000 0.4523 0.0456 ( 8832 PWs) bands (ev): -36.8938 -36.8938 -36.8938 -36.8938 -10.8437 -10.8437 -10.8433 -10.8433 -7.8678 -7.8678 -7.8667 -7.8667 -1.8528 -1.8528 -1.8502 -1.8502 0.5036 0.5036 0.5064 0.5064 3.4171 3.4171 3.4196 3.4196 4.0128 4.0128 4.0166 4.0166 4.6154 4.6154 4.6181 4.6181 6.7759 6.7759 6.7767 6.7767 13.0721 13.0721 13.0736 13.0736 14.2224 14.2224 14.2242 14.2242 k = 0.5000 0.4523 0.0304 ( 8834 PWs) bands (ev): -36.8938 -36.8938 -36.8938 -36.8938 -10.8440 -10.8440 -10.8437 -10.8437 -7.8674 -7.8674 -7.8667 -7.8667 -1.8518 -1.8518 -1.8500 -1.8500 0.5055 0.5055 0.5074 0.5074 3.4360 3.4360 3.4378 3.4378 4.0014 4.0014 4.0041 4.0041 4.6027 4.6027 4.6046 4.6046 6.7775 6.7775 6.7780 6.7780 13.0827 13.0827 13.0837 13.0837 14.2007 14.2007 14.2019 14.2019 k = 0.5000 0.4523 0.0152 ( 8838 PWs) bands (ev): -36.8938 -36.8938 -36.8938 -36.8938 -10.8441 -10.8441 -10.8440 -10.8440 -7.8671 -7.8671 -7.8667 -7.8667 -1.8510 -1.8510 -1.8501 -1.8501 0.5068 0.5068 0.5078 0.5078 3.4483 3.4483 3.4492 3.4492 3.9941 3.9941 3.9955 3.9955 4.5953 4.5953 4.5963 4.5963 6.7784 6.7784 6.7787 6.7787 13.0895 13.0895 13.0900 13.0900 14.1875 14.1875 14.1881 14.1881 k = 0.5000 0.4523-0.0000 ( 8826 PWs) bands (ev): -36.8938 -36.8938 -36.8938 -36.8938 -10.8441 -10.8441 -10.8441 -10.8441 -7.8669 -7.8669 -7.8669 -7.8669 -1.8504 -1.8504 -1.8504 -1.8504 0.5076 0.5076 0.5076 0.5076 3.4529 3.4529 3.4529 3.4529 3.9920 3.9920 3.9920 3.9920 4.5932 4.5932 4.5932 4.5932 6.7789 6.7789 6.7789 6.7789 13.0920 13.0920 13.0920 13.0920 14.1832 14.1832 14.1832 14.1832 k = 0.0000 0.0000 0.7453 ( 8864 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7870 -10.7870 -10.7868 -10.7868 -7.8619 -7.8619 -7.8578 -7.8578 -2.4176 -2.4176 -2.4162 -2.4162 0.6879 0.6879 0.6993 0.6993 2.9987 2.9987 3.0025 3.0025 4.1440 4.1440 4.1488 4.1488 5.9815 5.9815 5.9819 5.9819 6.5432 6.5432 6.5450 6.5450 13.3965 13.3965 13.3965 13.3965 14.9852 14.9852 15.0021 15.0021 k = 0.0114 0.0103 0.7453 ( 8868 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7871 -10.7869 -10.7869 -10.7867 -7.8622 -7.8616 -7.8580 -7.8577 -2.4176 -2.4166 -2.4161 -2.4153 0.6859 0.6871 0.6978 0.6980 2.9986 2.9992 3.0021 3.0032 4.1456 4.1462 4.1503 4.1510 5.9810 5.9810 5.9813 5.9816 6.5423 6.5425 6.5441 6.5443 13.3969 13.3972 13.3973 13.3977 14.9828 14.9831 14.9997 15.0000 k = 0.0227 0.0206 0.7453 ( 8878 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7871 -10.7869 -10.7869 -10.7867 -7.8626 -7.8615 -7.8583 -7.8577 -2.4166 -2.4151 -2.4148 -2.4135 0.6813 0.6837 0.6936 0.6941 2.9989 3.0002 3.0022 3.0043 4.1509 4.1522 4.1555 4.1569 5.9794 5.9795 5.9795 5.9802 6.5400 6.5404 6.5418 6.5422 13.3987 13.3994 13.3996 13.4003 14.9759 14.9764 14.9928 14.9933 k = 0.0341 0.0308 0.7453 ( 8890 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7871 -10.7870 -10.7868 -10.7866 -7.8631 -7.8614 -7.8586 -7.8578 -2.4148 -2.4133 -2.4120 -2.4107 0.6740 0.6777 0.6869 0.6876 2.9997 3.0015 3.0027 3.0058 4.1598 4.1617 4.1644 4.1664 5.9768 5.9768 5.9768 5.9778 6.5362 6.5368 6.5379 6.5385 13.4021 13.4033 13.4035 13.4045 14.9644 14.9651 14.9814 14.9822 k = 0.0455 0.0411 0.7453 ( 8886 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7872 -10.7870 -10.7867 -10.7864 -7.8637 -7.8615 -7.8591 -7.8580 -2.4120 -2.4105 -2.4083 -2.4072 0.6643 0.6692 0.6777 0.6786 3.0008 3.0032 3.0035 3.0076 4.1722 4.1748 4.1767 4.1793 5.9731 5.9731 5.9732 5.9744 6.5311 6.5318 6.5327 6.5335 13.4071 13.4086 13.4090 13.4103 14.9483 14.9492 14.9655 14.9665 k = 0.0568 0.0514 0.7453 ( 8886 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7872 -10.7870 -10.7865 -10.7863 -7.8643 -7.8616 -7.8596 -7.8583 -2.4085 -2.4070 -2.4039 -2.4028 0.6524 0.6585 0.6662 0.6674 3.0022 3.0046 3.0052 3.0097 4.1880 4.1911 4.1923 4.1955 5.9683 5.9683 5.9684 5.9700 6.5247 6.5255 6.5261 6.5272 13.4135 13.4155 13.4160 13.4175 14.9278 14.9287 14.9451 14.9463 k = 0.0682 0.0617 0.7453 ( 8886 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7871 -10.7870 -10.7864 -10.7862 -7.8650 -7.8617 -7.8602 -7.8586 -2.4042 -2.4027 -2.3987 -2.3977 0.6386 0.6458 0.6529 0.6542 3.0039 3.0060 3.0074 3.0119 4.2068 4.2104 4.2109 4.2147 5.9625 5.9626 5.9627 5.9645 6.5171 6.5181 6.5185 6.5198 13.4215 13.4239 13.4246 13.4263 14.9031 14.9039 14.9204 14.9217 k = 0.0795 0.0720 0.7453 ( 8876 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7871 -10.7870 -10.7863 -10.7860 -7.8657 -7.8620 -7.8609 -7.8590 -2.3992 -2.3977 -2.3928 -2.3920 0.6231 0.6314 0.6378 0.6393 3.0058 3.0077 3.0098 3.0143 4.2283 4.2322 4.2325 4.2366 5.9558 5.9558 5.9560 5.9581 6.5085 6.5097 6.5097 6.5113 13.4310 13.4338 13.4347 13.4366 14.8744 14.8751 14.8916 14.8930 k = 0.0909 0.0822 0.7453 ( 8892 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7871 -10.7870 -10.7861 -10.7859 -7.8665 -7.8623 -7.8616 -7.8595 -2.3937 -2.3922 -2.3864 -2.3857 0.6062 0.6156 0.6214 0.6230 3.0078 3.0094 3.0124 3.0167 4.2523 4.2559 4.2568 4.2608 5.9480 5.9481 5.9483 5.9508 6.4992 6.5002 6.5005 6.5020 13.4420 13.4451 13.4463 13.4483 14.8421 14.8425 14.8592 14.8606 k = 0.1023 0.0925 0.7453 ( 8898 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7871 -10.7869 -10.7860 -10.7857 -7.8673 -7.8626 -7.8623 -7.8600 -2.3877 -2.3862 -2.3796 -2.3790 0.5884 0.5988 0.6040 0.6058 3.0099 3.0113 3.0150 3.0192 4.2781 4.2815 4.2831 4.2869 5.9394 5.9395 5.9397 5.9426 6.4892 6.4901 6.4907 6.4921 13.4544 13.4579 13.4594 13.4615 14.8068 14.8069 14.8237 14.8250 k = 0.1136 0.1028 0.7453 ( 8914 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7870 -10.7869 -10.7858 -10.7856 -7.8682 -7.8630 -7.8630 -7.8606 -2.3813 -2.3800 -2.3725 -2.3720 0.5699 0.5813 0.5860 0.5878 3.0121 3.0133 3.0176 3.0216 4.3055 4.3086 4.3109 4.3145 5.9299 5.9301 5.9303 5.9335 6.4788 6.4795 6.4805 6.4818 13.4681 13.4719 13.4738 13.4759 14.7686 14.7692 14.7857 14.7869 k = 0.1250 0.1131 0.7453 ( 8908 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7870 -10.7868 -10.7857 -10.7854 -7.8690 -7.8638 -7.8634 -7.8612 -2.3748 -2.3735 -2.3652 -2.3648 0.5512 0.5636 0.5678 0.5696 3.0142 3.0152 3.0202 3.0240 4.3340 4.3368 4.3396 4.3430 5.9197 5.9200 5.9202 5.9238 6.4683 6.4687 6.4701 6.4712 13.4831 13.4872 13.4895 13.4916 14.7286 14.7299 14.7459 14.7470 k = 0.1364 0.1234 0.7453 ( 8892 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7869 -10.7868 -10.7855 -10.7853 -7.8698 -7.8645 -7.8638 -7.8617 -2.3681 -2.3669 -2.3578 -2.3576 0.5326 0.5459 0.5496 0.5515 3.0162 3.0171 3.0227 3.0262 4.3629 4.3654 4.3688 4.3720 5.9089 5.9093 5.9095 5.9134 6.4577 6.4580 6.4597 6.4607 13.4991 13.5034 13.5063 13.5083 14.6875 14.6897 14.7051 14.7061 k = 0.1477 0.1336 0.7453 ( 8884 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7868 -10.7868 -10.7854 -10.7852 -7.8706 -7.8652 -7.8642 -7.8623 -2.3615 -2.3604 -2.3506 -2.3505 0.5146 0.5286 0.5319 0.5338 3.0182 3.0189 3.0250 3.0283 4.3917 4.3940 4.3979 4.4009 5.8976 5.8983 5.8984 5.9027 6.4475 6.4475 6.4496 6.4505 13.5160 13.5205 13.5240 13.5259 14.6462 14.6493 14.6640 14.6648 k = 0.1591 0.1439 0.7453 ( 8872 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7868 -10.7867 -10.7853 -10.7850 -7.8713 -7.8659 -7.8646 -7.8629 -2.3552 -2.3542 -2.3437 -2.3436 0.4973 0.5121 0.5150 0.5169 3.0200 3.0206 3.0272 3.0301 4.4199 4.4219 4.4263 4.4291 5.8862 5.8870 5.8871 5.8918 6.4375 6.4377 6.4399 6.4407 13.5334 13.5380 13.5422 13.5439 14.6055 14.6097 14.6235 14.6241 k = 0.1705 0.1542 0.7453 ( 8876 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7867 -10.7867 -10.7852 -10.7849 -7.8720 -7.8666 -7.8649 -7.8635 -2.3492 -2.3483 -2.3373 -2.3371 0.4812 0.4968 0.4992 0.5012 3.0217 3.0222 3.0292 3.0318 4.4468 4.4485 4.4534 4.4560 5.8750 5.8759 5.8760 5.8809 6.4282 6.4286 6.4309 6.4316 13.5510 13.5555 13.5605 13.5621 14.5661 14.5716 14.5845 14.5848 k = 0.1818 0.1645 0.7453 ( 8876 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7867 -10.7866 -10.7850 -10.7848 -7.8726 -7.8672 -7.8652 -7.8640 -2.3436 -2.3428 -2.3314 -2.3311 0.4666 0.4828 0.4848 0.4868 3.0231 3.0236 3.0310 3.0333 4.4718 4.4733 4.4786 4.4810 5.8641 5.8652 5.8653 5.8705 6.4197 6.4204 6.4228 6.4234 13.5683 13.5727 13.5786 13.5799 14.5290 14.5359 14.5477 14.5478 k = 0.1932 0.1747 0.7453 ( 8860 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7866 -10.7866 -10.7850 -10.7847 -7.8732 -7.8677 -7.8655 -7.8645 -2.3387 -2.3380 -2.3261 -2.3257 0.4537 0.4705 0.4722 0.4742 3.0244 3.0248 3.0326 3.0345 4.4943 4.4955 4.5013 4.5035 5.8540 5.8553 5.8553 5.8608 6.4123 6.4131 6.4156 6.4161 13.5849 13.5889 13.5958 13.5968 14.4952 14.5036 14.5139 14.5143 k = 0.2045 0.1850 0.7453 ( 8866 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7866 -10.7865 -10.7849 -10.7846 -7.8736 -7.8681 -7.8657 -7.8649 -2.3344 -2.3339 -2.3217 -2.3212 0.4429 0.4601 0.4614 0.4635 3.0254 3.0258 3.0340 3.0355 4.5137 4.5146 4.5208 4.5228 5.8450 5.8465 5.8465 5.8522 6.4061 6.4071 6.4096 6.4100 13.5999 13.6035 13.6114 13.6121 14.4656 14.4755 14.4842 14.4850 k = 0.2159 0.1953 0.7453 ( 8862 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7865 -10.7865 -10.7848 -10.7845 -7.8740 -7.8684 -7.8659 -7.8652 -2.3310 -2.3306 -2.3181 -2.3176 0.4342 0.4519 0.4529 0.4550 3.0263 3.0266 3.0351 3.0362 4.5295 4.5302 4.5366 4.5385 5.8376 5.8392 5.8392 5.8451 6.4011 6.4022 6.4048 6.4051 13.6128 13.6157 13.6247 13.6251 14.4412 14.4528 14.4594 14.4609 k = 0.2273 0.2056 0.7453 ( 8858 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7865 -10.7865 -10.7848 -10.7845 -7.8743 -7.8687 -7.8659 -7.8655 -2.3285 -2.3282 -2.3154 -2.3149 0.4279 0.4459 0.4466 0.4488 3.0269 3.0271 3.0359 3.0367 4.5411 4.5416 4.5483 4.5500 5.8320 5.8337 5.8337 5.8397 6.3975 6.3987 6.4014 6.4015 13.6229 13.6249 13.6349 13.6351 14.4229 14.4361 14.4406 14.4429 k = 0.2386 0.2159 0.7453 ( 8856 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7865 -10.7865 -10.7847 -10.7845 -7.8744 -7.8688 -7.8660 -7.8657 -2.3270 -2.3268 -2.3139 -2.3133 0.4240 0.4424 0.4427 0.4451 3.0272 3.0275 3.0365 3.0369 4.5483 4.5485 4.5554 4.5571 5.8286 5.8303 5.8303 5.8364 6.3953 6.3966 6.3993 6.3994 13.6294 13.6305 13.6413 13.6413 14.4116 14.4262 14.4285 14.4317 k = 0.2500 0.2261 0.7453 ( 8844 PWs) bands (ev): -36.8937 -36.8937 -36.8937 -36.8937 -10.7865 -10.7865 -10.7847 -10.7845 -7.8745 -7.8689 -7.8659 -7.8659 -2.3264 -2.3264 -2.3133 -2.3127 0.4228 0.4413 0.4413 0.4438 3.0273 3.0276 3.0368 3.0368 4.5508 4.5508 4.5578 4.5595 5.8274 5.8292 5.8292 5.8352 6.3946 6.3959 6.3986 6.3986 13.6320 13.6320 13.6435 13.6435 14.4077 14.4237 14.4237 14.4279 Writing output data file LiPN2.save init_run : 3.74s CPU 12.97s WALL ( 1 calls) electrons : 848.84s CPU 856.90s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.34s CPU 1.34s WALL ( 1 calls) Called by electrons: c_bands : 848.81s CPU 856.65s WALL ( 1 calls) v_of_rho : 0.23s CPU 0.94s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.22s CPU 0.62s WALL ( 1 calls) newd : 0.47s CPU 0.53s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.17s WALL ( 358 calls) cegterg : 774.11s CPU 779.14s WALL ( 707 calls) Called by sum_band: Called by *egterg: h_psi : 542.86s CPU 550.18s WALL ( 10234 calls) s_psi : 31.96s CPU 32.24s WALL ( 10234 calls) g_psi : 1.13s CPU 1.28s WALL ( 9169 calls) cdiaghg : 142.53s CPU 141.08s WALL ( 9527 calls) cegterg:over : 55.80s CPU 52.90s WALL ( 9169 calls) cegterg:upda : 17.63s CPU 20.69s WALL ( 9169 calls) cegterg:last : 13.59s CPU 14.35s WALL ( 1862 calls) Called by h_psi: h_psi:vloc : 469.60s CPU 475.07s WALL ( 10234 calls) h_psi:vnl : 72.73s CPU 73.96s WALL ( 10234 calls) add_vuspsi : 24.27s CPU 27.96s WALL ( 10234 calls) General routines calbec : 48.41s CPU 45.87s WALL ( 10234 calls) fft : 0.22s CPU 1.21s WALL ( 15 calls) fftw : 449.10s CPU 453.98s WALL ( 1041332 calls) davcio : 0.04s CPU 1.80s WALL ( 716 calls) Parallel routines fft_scatter : 260.16s CPU 260.11s WALL ( 1041347 calls) PWSCF : 15m22.63s CPU 18m 3.42s WALL This run was terminated on: 2:46:25 20Jun2016 =------------------------------------------------------------------------------= JOB DONE. 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