Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:37:47 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CrSb2.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 66 66 18 2190 2190 324 Max 67 67 19 2193 2193 328 Sum 2399 2399 671 78883 78883 11745 bravais-lattice index = 14 lattice parameter (alat) = 10.2319 a.u. unit-cell volume = 816.6657 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.231932 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.281353 celldm(5)= -0.281353 celldm(6)= -0.437294 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.437294 0.899318 0.000000 ) a(3) = ( -0.281353 -0.449659 0.847731 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.486251 0.589810 ) b(2) = ( 0.000000 1.111953 0.589810 ) b(3) = ( 0.000000 0.000000 1.179620 ) PseudoPot. # 1 for Cr read from file: /users/gautes/Pseudo/Cr.rel-pbe-oncvpsp.UPF MD5 check sum: 05b5af6f30ea3763d55f309fcccb1da3 Pseudo is Norm-conserving, Zval = 14.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1638 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 PseudoPot. # 2 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 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 1243 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 Cr 14.00 51.99610 Cr( 1.00) Sb 5.00 121.76000 Sb( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 1 1 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.2813528 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.4496592 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( -1 -1 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) f =( 0.2813528 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.4496592 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 310 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 2) = ( 0.0000000 0.0000000 0.0168517), wk = 0.0032258 k( 3) = ( 0.0000000 0.0000000 0.0337034), wk = 0.0032258 k( 4) = ( 0.0000000 0.0000000 0.0505551), wk = 0.0032258 k( 5) = ( 0.0000000 0.0000000 0.0674069), wk = 0.0032258 k( 6) = ( 0.0000000 0.0000000 0.0842586), wk = 0.0032258 k( 7) = ( 0.0000000 0.0000000 0.1011103), wk = 0.0032258 k( 8) = ( 0.0000000 0.0000000 0.1179620), wk = 0.0032258 k( 9) = ( 0.0000000 0.0000000 0.1348137), wk = 0.0032258 k( 10) = ( 0.0000000 0.0000000 0.1516654), wk = 0.0032258 k( 11) = ( 0.0000000 0.0000000 0.1685171), wk = 0.0032258 k( 12) = ( 0.0000000 0.0000000 0.1853689), wk = 0.0032258 k( 13) = ( 0.0000000 0.0000000 0.2022206), wk = 0.0032258 k( 14) = ( 0.0000000 0.0000000 0.2190723), wk = 0.0032258 k( 15) = ( 0.0000000 0.0000000 0.2359240), wk = 0.0032258 k( 16) = ( 0.0000000 0.0000000 0.2527757), wk = 0.0032258 k( 17) = ( 0.0000000 0.0000000 0.2696274), wk = 0.0032258 k( 18) = ( 0.0000000 0.0000000 0.2864791), wk = 0.0032258 k( 19) = ( 0.0000000 0.0000000 0.3033309), wk = 0.0032258 k( 20) = ( 0.0000000 0.0000000 0.3201826), wk = 0.0032258 k( 21) = ( 0.0000000 0.0000000 0.3370343), wk = 0.0032258 k( 22) = ( 0.0000000 0.0000000 0.3538860), wk = 0.0032258 k( 23) = ( 0.0000000 0.0000000 0.3707377), wk = 0.0032258 k( 24) = ( 0.0000000 0.0000000 0.3875894), wk = 0.0032258 k( 25) = ( 0.0000000 0.0000000 0.4044411), wk = 0.0032258 k( 26) = ( 0.0000000 0.0000000 0.4212929), wk = 0.0032258 k( 27) = ( 0.0000000 0.0000000 0.4381446), wk = 0.0032258 k( 28) = ( 0.0000000 0.0000000 0.4549963), wk = 0.0032258 k( 29) = ( 0.0000000 0.0000000 0.4718480), wk = 0.0032258 k( 30) = ( 0.0000000 0.0000000 0.4886997), wk = 0.0032258 k( 31) = ( 0.0000000 0.0000000 0.5055514), wk = 0.0032258 k( 32) = ( 0.0000000 0.0000000 0.5224031), wk = 0.0032258 k( 33) = ( 0.0000000 0.0000000 0.5392549), wk = 0.0032258 k( 34) = ( 0.0000000 0.0000000 0.5561066), wk = 0.0032258 k( 35) = ( 0.0000000 0.0000000 0.5729583), wk = 0.0032258 k( 36) = ( 0.0000000 0.0000000 0.5898100), wk = 0.0032258 k( 37) = ( 0.0000000 0.0000000 0.5898100), wk = 0.0032258 k( 38) = ( -0.0142857 0.0089386 0.5898100), wk = 0.0032258 k( 39) = ( -0.0285714 0.0178772 0.5898100), wk = 0.0032258 k( 40) = ( -0.0428571 0.0268158 0.5898100), wk = 0.0032258 k( 41) = ( -0.0571429 0.0357544 0.5898100), wk = 0.0032258 k( 42) = ( -0.0714286 0.0446930 0.5898100), wk = 0.0032258 k( 43) = ( -0.0857143 0.0536316 0.5898100), wk = 0.0032258 k( 44) = ( -0.1000000 0.0625702 0.5898100), wk = 0.0032258 k( 45) = ( -0.1142857 0.0715088 0.5898100), wk = 0.0032258 k( 46) = ( -0.1285714 0.0804474 0.5898100), wk = 0.0032258 k( 47) = ( -0.1428571 0.0893860 0.5898100), wk = 0.0032258 k( 48) = ( -0.1571429 0.0983246 0.5898100), wk = 0.0032258 k( 49) = ( -0.1714286 0.1072633 0.5898100), wk = 0.0032258 k( 50) = ( -0.1857143 0.1162019 0.5898100), wk = 0.0032258 k( 51) = ( -0.2000000 0.1251405 0.5898100), wk = 0.0032258 k( 52) = ( -0.2142857 0.1340791 0.5898100), wk = 0.0032258 k( 53) = ( -0.2285714 0.1430177 0.5898100), wk = 0.0032258 k( 54) = ( -0.2428571 0.1519563 0.5898100), wk = 0.0032258 k( 55) = ( -0.2571429 0.1608949 0.5898100), wk = 0.0032258 k( 56) = ( -0.2714286 0.1698335 0.5898100), wk = 0.0032258 k( 57) = ( -0.2857143 0.1787721 0.5898100), wk = 0.0032258 k( 58) = ( -0.3000000 0.1877107 0.5898100), wk = 0.0032258 k( 59) = ( -0.3142857 0.1966493 0.5898100), wk = 0.0032258 k( 60) = ( -0.3285714 0.2055879 0.5898100), wk = 0.0032258 k( 61) = ( -0.3428571 0.2145265 0.5898100), wk = 0.0032258 k( 62) = ( -0.3571429 0.2234651 0.5898100), wk = 0.0032258 k( 63) = ( -0.3714286 0.2324037 0.5898100), wk = 0.0032258 k( 64) = ( -0.3857143 0.2413423 0.5898100), wk = 0.0032258 k( 65) = ( -0.4000000 0.2502809 0.5898100), wk = 0.0032258 k( 66) = ( -0.4142857 0.2592195 0.5898100), wk = 0.0032258 k( 67) = ( -0.4285714 0.2681581 0.5898100), wk = 0.0032258 k( 68) = ( -0.4428571 0.2770967 0.5898100), wk = 0.0032258 k( 69) = ( -0.4571429 0.2860353 0.5898100), wk = 0.0032258 k( 70) = ( -0.4714286 0.2949739 0.5898100), wk = 0.0032258 k( 71) = ( -0.4857143 0.3039125 0.5898100), wk = 0.0032258 k( 72) = ( -0.5000000 0.3128512 0.5898100), wk = 0.0032258 k( 73) = ( -0.5000000 0.3128512 0.5898100), wk = 0.0032258 k( 74) = ( -0.4897959 0.3064664 0.5777731), wk = 0.0032258 k( 75) = ( -0.4795918 0.3000817 0.5657361), wk = 0.0032258 k( 76) = ( -0.4693878 0.2936970 0.5536992), wk = 0.0032258 k( 77) = ( -0.4591837 0.2873123 0.5416622), wk = 0.0032258 k( 78) = ( -0.4489796 0.2809276 0.5296253), wk = 0.0032258 k( 79) = ( -0.4387755 0.2745428 0.5175884), wk = 0.0032258 k( 80) = ( -0.4285714 0.2681581 0.5055514), wk = 0.0032258 k( 81) = ( -0.4183674 0.2617734 0.4935145), wk = 0.0032258 k( 82) = ( -0.4081633 0.2553887 0.4814776), wk = 0.0032258 k( 83) = ( -0.3979592 0.2490040 0.4694406), wk = 0.0032258 k( 84) = ( -0.3877551 0.2426193 0.4574037), wk = 0.0032258 k( 85) = ( -0.3775510 0.2362345 0.4453667), wk = 0.0032258 k( 86) = ( -0.3673469 0.2298498 0.4333298), wk = 0.0032258 k( 87) = ( -0.3571429 0.2234651 0.4212929), wk = 0.0032258 k( 88) = ( -0.3469388 0.2170804 0.4092559), wk = 0.0032258 k( 89) = ( -0.3367347 0.2106957 0.3972190), wk = 0.0032258 k( 90) = ( -0.3265306 0.2043110 0.3851820), wk = 0.0032258 k( 91) = ( -0.3163265 0.1979262 0.3731451), wk = 0.0032258 k( 92) = ( -0.3061224 0.1915415 0.3611082), wk = 0.0032258 k( 93) = ( -0.2959184 0.1851568 0.3490712), wk = 0.0032258 k( 94) = ( -0.2857143 0.1787721 0.3370343), wk = 0.0032258 k( 95) = ( -0.2755102 0.1723874 0.3249973), wk = 0.0032258 k( 96) = ( -0.2653061 0.1660026 0.3129604), wk = 0.0032258 k( 97) = ( -0.2551020 0.1596179 0.3009235), wk = 0.0032258 k( 98) = ( -0.2448980 0.1532332 0.2888865), wk = 0.0032258 k( 99) = ( -0.2346939 0.1468485 0.2768496), wk = 0.0032258 k( 100) = ( -0.2244898 0.1404638 0.2648127), wk = 0.0032258 k( 101) = ( -0.2142857 0.1340791 0.2527757), wk = 0.0032258 k( 102) = ( -0.2040816 0.1276943 0.2407388), wk = 0.0032258 k( 103) = ( -0.1938776 0.1213096 0.2287018), wk = 0.0032258 k( 104) = ( -0.1836735 0.1149249 0.2166649), wk = 0.0032258 k( 105) = ( -0.1734694 0.1085402 0.2046280), wk = 0.0032258 k( 106) = ( -0.1632653 0.1021555 0.1925910), wk = 0.0032258 k( 107) = ( -0.1530612 0.0957708 0.1805541), wk = 0.0032258 k( 108) = ( -0.1428571 0.0893860 0.1685171), wk = 0.0032258 k( 109) = ( -0.1326531 0.0830013 0.1564802), wk = 0.0032258 k( 110) = ( -0.1224490 0.0766166 0.1444433), wk = 0.0032258 k( 111) = ( -0.1122449 0.0702319 0.1324063), wk = 0.0032258 k( 112) = ( -0.1020408 0.0638472 0.1203694), wk = 0.0032258 k( 113) = ( -0.0918367 0.0574625 0.1083324), wk = 0.0032258 k( 114) = ( -0.0816327 0.0510777 0.0962955), wk = 0.0032258 k( 115) = ( -0.0714286 0.0446930 0.0842586), wk = 0.0032258 k( 116) = ( -0.0612245 0.0383083 0.0722216), wk = 0.0032258 k( 117) = ( -0.0510204 0.0319236 0.0601847), wk = 0.0032258 k( 118) = ( -0.0408163 0.0255389 0.0481478), wk = 0.0032258 k( 119) = ( -0.0306122 0.0191541 0.0361108), wk = 0.0032258 k( 120) = ( -0.0204082 0.0127694 0.0240739), wk = 0.0032258 k( 121) = ( -0.0102041 0.0063847 0.0120369), wk = 0.0032258 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 124) = ( 0.0090970 0.0145388 -0.0000000), wk = 0.0032258 k( 125) = ( 0.0181940 0.0290776 -0.0000000), wk = 0.0032258 k( 126) = ( 0.0272909 0.0436165 -0.0000000), wk = 0.0032258 k( 127) = ( 0.0363879 0.0581553 -0.0000000), wk = 0.0032258 k( 128) = ( 0.0454849 0.0726941 -0.0000000), wk = 0.0032258 k( 129) = ( 0.0545818 0.0872329 -0.0000000), wk = 0.0032258 k( 130) = ( 0.0636788 0.1017717 -0.0000000), wk = 0.0032258 k( 131) = ( 0.0727758 0.1163106 -0.0000000), wk = 0.0032258 k( 132) = ( 0.0818728 0.1308494 -0.0000000), wk = 0.0032258 k( 133) = ( 0.0909697 0.1453882 -0.0000000), wk = 0.0032258 k( 134) = ( 0.1000667 0.1599270 -0.0000000), wk = 0.0032258 k( 135) = ( 0.1091637 0.1744658 -0.0000000), wk = 0.0032258 k( 136) = ( 0.1182606 0.1890047 -0.0000000), wk = 0.0032258 k( 137) = ( 0.1273576 0.2035435 -0.0000000), wk = 0.0032258 k( 138) = ( 0.1364546 0.2180823 -0.0000000), wk = 0.0032258 k( 139) = ( 0.1455516 0.2326211 -0.0000000), wk = 0.0032258 k( 140) = ( 0.1546485 0.2471599 -0.0000000), wk = 0.0032258 k( 141) = ( 0.1637455 0.2616988 -0.0000000), wk = 0.0032258 k( 142) = ( 0.1728425 0.2762376 -0.0000000), wk = 0.0032258 k( 143) = ( 0.1819395 0.2907764 -0.0000000), wk = 0.0032258 k( 144) = ( 0.1910364 0.3053152 -0.0000000), wk = 0.0032258 k( 145) = ( 0.2001334 0.3198540 -0.0000000), wk = 0.0032258 k( 146) = ( 0.2092304 0.3343929 -0.0000000), wk = 0.0032258 k( 147) = ( 0.2183274 0.3489317 -0.0000000), wk = 0.0032258 k( 148) = ( 0.2274243 0.3634705 -0.0000000), wk = 0.0032258 k( 149) = ( 0.2365213 0.3780093 -0.0000000), wk = 0.0032258 k( 150) = ( 0.2456183 0.3925481 -0.0000000), wk = 0.0032258 k( 151) = ( 0.2547153 0.4070870 -0.0000000), wk = 0.0032258 k( 152) = ( 0.2638122 0.4216258 -0.0000000), wk = 0.0032258 k( 153) = ( 0.2729092 0.4361646 -0.0000000), wk = 0.0032258 k( 154) = ( 0.2820062 0.4507034 -0.0000000), wk = 0.0032258 k( 155) = ( 0.2911031 0.4652422 -0.0000000), wk = 0.0032258 k( 156) = ( 0.3002001 0.4797811 -0.0000000), wk = 0.0032258 k( 157) = ( 0.3092971 0.4943199 -0.0000000), wk = 0.0032258 k( 158) = ( 0.3183941 0.5088587 -0.0000000), wk = 0.0032258 k( 159) = ( 0.3274910 0.5233975 -0.0000000), wk = 0.0032258 k( 160) = ( 0.3365880 0.5379363 -0.0000000), wk = 0.0032258 k( 161) = ( 0.3456850 0.5524752 -0.0000000), wk = 0.0032258 k( 162) = ( 0.3547820 0.5670140 -0.0000000), wk = 0.0032258 k( 163) = ( 0.3638789 0.5815528 -0.0000000), wk = 0.0032258 k( 164) = ( 0.3729759 0.5960916 -0.0000000), wk = 0.0032258 k( 165) = ( 0.3820729 0.6106304 -0.0000000), wk = 0.0032258 k( 166) = ( 0.3911698 0.6251693 -0.0000000), wk = 0.0032258 k( 167) = ( 0.4002668 0.6397081 -0.0000000), wk = 0.0032258 k( 168) = ( 0.4093638 0.6542469 -0.0000000), wk = 0.0032258 k( 169) = ( 0.4184608 0.6687857 -0.0000000), wk = 0.0032258 k( 170) = ( 0.4275577 0.6833245 -0.0000000), wk = 0.0032258 k( 171) = ( 0.4366547 0.6978634 -0.0000000), wk = 0.0032258 k( 172) = ( 0.4457517 0.7124022 -0.0000000), wk = 0.0032258 k( 173) = ( 0.4457517 0.7124022 -0.0000000), wk = 0.0032258 k( 174) = ( 0.4409772 0.7047717 0.0143856), wk = 0.0032258 k( 175) = ( 0.4362028 0.6971411 0.0287712), wk = 0.0032258 k( 176) = ( 0.4314284 0.6895106 0.0431568), wk = 0.0032258 k( 177) = ( 0.4266540 0.6818801 0.0575424), wk = 0.0032258 k( 178) = ( 0.4218795 0.6742496 0.0719280), wk = 0.0032258 k( 179) = ( 0.4171051 0.6666191 0.0863137), wk = 0.0032258 k( 180) = ( 0.4123307 0.6589886 0.1006993), wk = 0.0032258 k( 181) = ( 0.4075562 0.6513580 0.1150849), wk = 0.0032258 k( 182) = ( 0.4027818 0.6437275 0.1294705), wk = 0.0032258 k( 183) = ( 0.3980074 0.6360970 0.1438561), wk = 0.0032258 k( 184) = ( 0.3932329 0.6284665 0.1582417), wk = 0.0032258 k( 185) = ( 0.3884585 0.6208360 0.1726273), wk = 0.0032258 k( 186) = ( 0.3836841 0.6132055 0.1870129), wk = 0.0032258 k( 187) = ( 0.3789096 0.6055750 0.2013985), wk = 0.0032258 k( 188) = ( 0.3741352 0.5979444 0.2157841), wk = 0.0032258 k( 189) = ( 0.3693608 0.5903139 0.2301698), wk = 0.0032258 k( 190) = ( 0.3645864 0.5826834 0.2445554), wk = 0.0032258 k( 191) = ( 0.3598119 0.5750529 0.2589410), wk = 0.0032258 k( 192) = ( 0.3550375 0.5674224 0.2733266), wk = 0.0032258 k( 193) = ( 0.3502631 0.5597919 0.2877122), wk = 0.0032258 k( 194) = ( 0.3454886 0.5521614 0.3020978), wk = 0.0032258 k( 195) = ( 0.3407142 0.5445308 0.3164834), wk = 0.0032258 k( 196) = ( 0.3359398 0.5369003 0.3308690), wk = 0.0032258 k( 197) = ( 0.3311653 0.5292698 0.3452546), wk = 0.0032258 k( 198) = ( 0.3263909 0.5216393 0.3596402), wk = 0.0032258 k( 199) = ( 0.3216165 0.5140088 0.3740259), wk = 0.0032258 k( 200) = ( 0.3168420 0.5063783 0.3884115), wk = 0.0032258 k( 201) = ( 0.3120676 0.4987477 0.4027971), wk = 0.0032258 k( 202) = ( 0.3072932 0.4911172 0.4171827), wk = 0.0032258 k( 203) = ( 0.3025187 0.4834867 0.4315683), wk = 0.0032258 k( 204) = ( 0.2977443 0.4758562 0.4459539), wk = 0.0032258 k( 205) = ( 0.2929699 0.4682257 0.4603395), wk = 0.0032258 k( 206) = ( 0.2881955 0.4605952 0.4747251), wk = 0.0032258 k( 207) = ( 0.2834210 0.4529646 0.4891107), wk = 0.0032258 k( 208) = ( 0.2786466 0.4453341 0.5034963), wk = 0.0032258 k( 209) = ( 0.2738722 0.4377036 0.5178820), wk = 0.0032258 k( 210) = ( 0.2690977 0.4300731 0.5322676), wk = 0.0032258 k( 211) = ( 0.2643233 0.4224426 0.5466532), wk = 0.0032258 k( 212) = ( 0.2595489 0.4148121 0.5610388), wk = 0.0032258 k( 213) = ( 0.2547744 0.4071815 0.5754244), wk = 0.0032258 k( 214) = ( 0.2500000 0.3995510 0.5898100), wk = 0.0032258 k( 215) = ( 0.2500000 0.3995510 0.5898100), wk = 0.0032258 k( 216) = ( 0.2400000 0.4058081 0.5780138), wk = 0.0032258 k( 217) = ( 0.2300000 0.4120651 0.5662176), wk = 0.0032258 k( 218) = ( 0.2200000 0.4183221 0.5544214), wk = 0.0032258 k( 219) = ( 0.2100000 0.4245791 0.5426252), wk = 0.0032258 k( 220) = ( 0.2000000 0.4308361 0.5308290), wk = 0.0032258 k( 221) = ( 0.1900000 0.4370932 0.5190328), wk = 0.0032258 k( 222) = ( 0.1800000 0.4433502 0.5072366), wk = 0.0032258 k( 223) = ( 0.1700000 0.4496072 0.4954404), wk = 0.0032258 k( 224) = ( 0.1600000 0.4558642 0.4836442), wk = 0.0032258 k( 225) = ( 0.1500000 0.4621213 0.4718480), wk = 0.0032258 k( 226) = ( 0.1400000 0.4683783 0.4600518), wk = 0.0032258 k( 227) = ( 0.1300000 0.4746353 0.4482556), wk = 0.0032258 k( 228) = ( 0.1200000 0.4808923 0.4364594), wk = 0.0032258 k( 229) = ( 0.1100000 0.4871494 0.4246632), wk = 0.0032258 k( 230) = ( 0.1000000 0.4934064 0.4128670), wk = 0.0032258 k( 231) = ( 0.0900000 0.4996634 0.4010708), wk = 0.0032258 k( 232) = ( 0.0800000 0.5059204 0.3892746), wk = 0.0032258 k( 233) = ( 0.0700000 0.5121774 0.3774784), wk = 0.0032258 k( 234) = ( 0.0600000 0.5184345 0.3656822), wk = 0.0032258 k( 235) = ( 0.0500000 0.5246915 0.3538860), wk = 0.0032258 k( 236) = ( 0.0400000 0.5309485 0.3420898), wk = 0.0032258 k( 237) = ( 0.0300000 0.5372055 0.3302936), wk = 0.0032258 k( 238) = ( 0.0200000 0.5434626 0.3184974), wk = 0.0032258 k( 239) = ( 0.0100000 0.5497196 0.3067012), wk = 0.0032258 k( 240) = ( 0.0000000 0.5559766 0.2949050), wk = 0.0032258 k( 241) = ( 0.0000000 0.5559766 0.2949050), wk = 0.0032258 k( 242) = ( -0.0135076 0.5512364 0.3038415), wk = 0.0032258 k( 243) = ( -0.0270153 0.5464963 0.3127780), wk = 0.0032258 k( 244) = ( -0.0405229 0.5417561 0.3217145), wk = 0.0032258 k( 245) = ( -0.0540305 0.5370159 0.3306511), wk = 0.0032258 k( 246) = ( -0.0675381 0.5322758 0.3395876), wk = 0.0032258 k( 247) = ( -0.0810458 0.5275356 0.3485241), wk = 0.0032258 k( 248) = ( -0.0945534 0.5227954 0.3574606), wk = 0.0032258 k( 249) = ( -0.1080610 0.5180553 0.3663971), wk = 0.0032258 k( 250) = ( -0.1215686 0.5133151 0.3753336), wk = 0.0032258 k( 251) = ( -0.1350763 0.5085749 0.3842702), wk = 0.0032258 k( 252) = ( -0.1485839 0.5038347 0.3932067), wk = 0.0032258 k( 253) = ( -0.1620915 0.4990946 0.4021432), wk = 0.0032258 k( 254) = ( -0.1755992 0.4943544 0.4110797), wk = 0.0032258 k( 255) = ( -0.1891068 0.4896142 0.4200162), wk = 0.0032258 k( 256) = ( -0.2026144 0.4848741 0.4289527), wk = 0.0032258 k( 257) = ( -0.2161220 0.4801339 0.4378892), wk = 0.0032258 k( 258) = ( -0.2296297 0.4753937 0.4468258), wk = 0.0032258 k( 259) = ( -0.2431373 0.4706536 0.4557623), wk = 0.0032258 k( 260) = ( -0.2566449 0.4659134 0.4646988), wk = 0.0032258 k( 261) = ( -0.2701525 0.4611732 0.4736353), wk = 0.0032258 k( 262) = ( -0.2836602 0.4564331 0.4825718), wk = 0.0032258 k( 263) = ( -0.2971678 0.4516929 0.4915083), wk = 0.0032258 k( 264) = ( -0.3106754 0.4469527 0.5004449), wk = 0.0032258 k( 265) = ( -0.3241830 0.4422126 0.5093814), wk = 0.0032258 k( 266) = ( -0.3376907 0.4374724 0.5183179), wk = 0.0032258 k( 267) = ( -0.3511983 0.4327322 0.5272544), wk = 0.0032258 k( 268) = ( -0.3647059 0.4279920 0.5361909), wk = 0.0032258 k( 269) = ( -0.3782136 0.4232519 0.5451274), wk = 0.0032258 k( 270) = ( -0.3917212 0.4185117 0.5540639), wk = 0.0032258 k( 271) = ( -0.4052288 0.4137715 0.5630005), wk = 0.0032258 k( 272) = ( -0.4187364 0.4090314 0.5719370), wk = 0.0032258 k( 273) = ( -0.4322441 0.4042912 0.5808735), wk = 0.0032258 k( 274) = ( -0.4457517 0.3995510 0.5898100), wk = 0.0032258 k( 275) = ( -0.4457517 0.3995510 0.5898100), wk = 0.0032258 k( 276) = ( -0.4547931 0.3851011 0.5898100), wk = 0.0032258 k( 277) = ( -0.4638345 0.3706511 0.5898100), wk = 0.0032258 k( 278) = ( -0.4728758 0.3562011 0.5898100), wk = 0.0032258 k( 279) = ( -0.4819172 0.3417511 0.5898100), wk = 0.0032258 k( 280) = ( -0.4909586 0.3273011 0.5898100), wk = 0.0032258 k( 281) = ( -0.5000000 0.3128512 0.5898100), wk = 0.0032258 k( 282) = ( 0.0000000 0.0000000 0.5898100), wk = 0.0032258 k( 283) = ( 0.0089286 0.0142697 0.5898100), wk = 0.0032258 k( 284) = ( 0.0178571 0.0285394 0.5898100), wk = 0.0032258 k( 285) = ( 0.0267857 0.0428090 0.5898100), wk = 0.0032258 k( 286) = ( 0.0357143 0.0570787 0.5898100), wk = 0.0032258 k( 287) = ( 0.0446429 0.0713484 0.5898100), wk = 0.0032258 k( 288) = ( 0.0535714 0.0856181 0.5898100), wk = 0.0032258 k( 289) = ( 0.0625000 0.0998878 0.5898100), wk = 0.0032258 k( 290) = ( 0.0714286 0.1141574 0.5898100), wk = 0.0032258 k( 291) = ( 0.0803571 0.1284271 0.5898100), wk = 0.0032258 k( 292) = ( 0.0892857 0.1426968 0.5898100), wk = 0.0032258 k( 293) = ( 0.0982143 0.1569665 0.5898100), wk = 0.0032258 k( 294) = ( 0.1071429 0.1712362 0.5898100), wk = 0.0032258 k( 295) = ( 0.1160714 0.1855058 0.5898100), wk = 0.0032258 k( 296) = ( 0.1250000 0.1997755 0.5898100), wk = 0.0032258 k( 297) = ( 0.1339286 0.2140452 0.5898100), wk = 0.0032258 k( 298) = ( 0.1428571 0.2283149 0.5898100), wk = 0.0032258 k( 299) = ( 0.1517857 0.2425845 0.5898100), wk = 0.0032258 k( 300) = ( 0.1607143 0.2568542 0.5898100), wk = 0.0032258 k( 301) = ( 0.1696429 0.2711239 0.5898100), wk = 0.0032258 k( 302) = ( 0.1785714 0.2853936 0.5898100), wk = 0.0032258 k( 303) = ( 0.1875000 0.2996633 0.5898100), wk = 0.0032258 k( 304) = ( 0.1964286 0.3139330 0.5898100), wk = 0.0032258 k( 305) = ( 0.2053571 0.3282026 0.5898100), wk = 0.0032258 k( 306) = ( 0.2142857 0.3424723 0.5898100), wk = 0.0032258 k( 307) = ( 0.2232143 0.3567420 0.5898100), wk = 0.0032258 k( 308) = ( 0.2321429 0.3710117 0.5898100), wk = 0.0032258 k( 309) = ( 0.2410714 0.3852814 0.5898100), wk = 0.0032258 k( 310) = ( 0.2500000 0.3995510 0.5898100), wk = 0.0032258 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 2) = ( 0.0000000 0.0000000 0.0142857), wk = 0.0032258 k( 3) = ( 0.0000000 0.0000000 0.0285714), wk = 0.0032258 k( 4) = ( 0.0000000 0.0000000 0.0428571), wk = 0.0032258 k( 5) = ( 0.0000000 0.0000000 0.0571429), wk = 0.0032258 k( 6) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0032258 k( 7) = ( 0.0000000 0.0000000 0.0857143), wk = 0.0032258 k( 8) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0032258 k( 9) = ( 0.0000000 0.0000000 0.1142857), wk = 0.0032258 k( 10) = ( 0.0000000 0.0000000 0.1285714), wk = 0.0032258 k( 11) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0032258 k( 12) = ( 0.0000000 0.0000000 0.1571429), wk = 0.0032258 k( 13) = ( 0.0000000 0.0000000 0.1714286), wk = 0.0032258 k( 14) = ( 0.0000000 0.0000000 0.1857143), wk = 0.0032258 k( 15) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0032258 k( 16) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0032258 k( 17) = ( 0.0000000 0.0000000 0.2285714), wk = 0.0032258 k( 18) = ( 0.0000000 0.0000000 0.2428571), wk = 0.0032258 k( 19) = ( 0.0000000 0.0000000 0.2571429), wk = 0.0032258 k( 20) = ( 0.0000000 0.0000000 0.2714286), wk = 0.0032258 k( 21) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0032258 k( 22) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0032258 k( 23) = ( 0.0000000 0.0000000 0.3142857), wk = 0.0032258 k( 24) = ( 0.0000000 0.0000000 0.3285714), wk = 0.0032258 k( 25) = ( 0.0000000 0.0000000 0.3428571), wk = 0.0032258 k( 26) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0032258 k( 27) = ( 0.0000000 0.0000000 0.3714286), wk = 0.0032258 k( 28) = ( 0.0000000 0.0000000 0.3857143), wk = 0.0032258 k( 29) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0032258 k( 30) = ( 0.0000000 0.0000000 0.4142857), wk = 0.0032258 k( 31) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0032258 k( 32) = ( 0.0000000 0.0000000 0.4428571), wk = 0.0032258 k( 33) = ( 0.0000000 0.0000000 0.4571429), wk = 0.0032258 k( 34) = ( 0.0000000 0.0000000 0.4714286), wk = 0.0032258 k( 35) = ( 0.0000000 0.0000000 0.4857143), wk = 0.0032258 k( 36) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032258 k( 37) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032258 k( 38) = ( -0.0142857 0.0142857 0.5000000), wk = 0.0032258 k( 39) = ( -0.0285714 0.0285714 0.5000000), wk = 0.0032258 k( 40) = ( -0.0428571 0.0428571 0.5000000), wk = 0.0032258 k( 41) = ( -0.0571429 0.0571429 0.5000000), wk = 0.0032258 k( 42) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0032258 k( 43) = ( -0.0857143 0.0857143 0.5000000), wk = 0.0032258 k( 44) = ( -0.1000000 0.1000000 0.5000000), wk = 0.0032258 k( 45) = ( -0.1142857 0.1142857 0.5000000), wk = 0.0032258 k( 46) = ( -0.1285714 0.1285714 0.5000000), wk = 0.0032258 k( 47) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0032258 k( 48) = ( -0.1571429 0.1571429 0.5000000), wk = 0.0032258 k( 49) = ( -0.1714286 0.1714286 0.5000000), wk = 0.0032258 k( 50) = ( -0.1857143 0.1857143 0.5000000), wk = 0.0032258 k( 51) = ( -0.2000000 0.2000000 0.5000000), wk = 0.0032258 k( 52) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0032258 k( 53) = ( -0.2285714 0.2285714 0.5000000), wk = 0.0032258 k( 54) = ( -0.2428571 0.2428571 0.5000000), wk = 0.0032258 k( 55) = ( -0.2571429 0.2571429 0.5000000), wk = 0.0032258 k( 56) = ( -0.2714286 0.2714286 0.5000000), wk = 0.0032258 k( 57) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0032258 k( 58) = ( -0.3000000 0.3000000 0.5000000), wk = 0.0032258 k( 59) = ( -0.3142857 0.3142857 0.5000000), wk = 0.0032258 k( 60) = ( -0.3285714 0.3285714 0.5000000), wk = 0.0032258 k( 61) = ( -0.3428571 0.3428571 0.5000000), wk = 0.0032258 k( 62) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0032258 k( 63) = ( -0.3714286 0.3714286 0.5000000), wk = 0.0032258 k( 64) = ( -0.3857143 0.3857143 0.5000000), wk = 0.0032258 k( 65) = ( -0.4000000 0.4000000 0.5000000), wk = 0.0032258 k( 66) = ( -0.4142857 0.4142857 0.5000000), wk = 0.0032258 k( 67) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0032258 k( 68) = ( -0.4428571 0.4428571 0.5000000), wk = 0.0032258 k( 69) = ( -0.4571429 0.4571429 0.5000000), wk = 0.0032258 k( 70) = ( -0.4714286 0.4714286 0.5000000), wk = 0.0032258 k( 71) = ( -0.4857143 0.4857143 0.5000000), wk = 0.0032258 k( 72) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0032258 k( 73) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0032258 k( 74) = ( -0.4897959 0.4897959 0.4897959), wk = 0.0032258 k( 75) = ( -0.4795918 0.4795918 0.4795918), wk = 0.0032258 k( 76) = ( -0.4693878 0.4693878 0.4693878), wk = 0.0032258 k( 77) = ( -0.4591837 0.4591837 0.4591837), wk = 0.0032258 k( 78) = ( -0.4489796 0.4489796 0.4489796), wk = 0.0032258 k( 79) = ( -0.4387755 0.4387755 0.4387755), wk = 0.0032258 k( 80) = ( -0.4285714 0.4285714 0.4285714), wk = 0.0032258 k( 81) = ( -0.4183674 0.4183674 0.4183674), wk = 0.0032258 k( 82) = ( -0.4081633 0.4081633 0.4081633), wk = 0.0032258 k( 83) = ( -0.3979592 0.3979592 0.3979592), wk = 0.0032258 k( 84) = ( -0.3877551 0.3877551 0.3877551), wk = 0.0032258 k( 85) = ( -0.3775510 0.3775510 0.3775510), wk = 0.0032258 k( 86) = ( -0.3673469 0.3673469 0.3673469), wk = 0.0032258 k( 87) = ( -0.3571429 0.3571429 0.3571429), wk = 0.0032258 k( 88) = ( -0.3469388 0.3469388 0.3469388), wk = 0.0032258 k( 89) = ( -0.3367347 0.3367347 0.3367347), wk = 0.0032258 k( 90) = ( -0.3265306 0.3265306 0.3265306), wk = 0.0032258 k( 91) = ( -0.3163265 0.3163265 0.3163265), wk = 0.0032258 k( 92) = ( -0.3061224 0.3061224 0.3061224), wk = 0.0032258 k( 93) = ( -0.2959184 0.2959184 0.2959184), wk = 0.0032258 k( 94) = ( -0.2857143 0.2857143 0.2857143), wk = 0.0032258 k( 95) = ( -0.2755102 0.2755102 0.2755102), wk = 0.0032258 k( 96) = ( -0.2653061 0.2653061 0.2653061), wk = 0.0032258 k( 97) = ( -0.2551020 0.2551020 0.2551020), wk = 0.0032258 k( 98) = ( -0.2448980 0.2448980 0.2448980), wk = 0.0032258 k( 99) = ( -0.2346939 0.2346939 0.2346939), wk = 0.0032258 k( 100) = ( -0.2244898 0.2244898 0.2244898), wk = 0.0032258 k( 101) = ( -0.2142857 0.2142857 0.2142857), wk = 0.0032258 k( 102) = ( -0.2040816 0.2040816 0.2040816), wk = 0.0032258 k( 103) = ( -0.1938776 0.1938776 0.1938776), wk = 0.0032258 k( 104) = ( -0.1836735 0.1836735 0.1836735), wk = 0.0032258 k( 105) = ( -0.1734694 0.1734694 0.1734694), wk = 0.0032258 k( 106) = ( -0.1632653 0.1632653 0.1632653), wk = 0.0032258 k( 107) = ( -0.1530612 0.1530612 0.1530612), wk = 0.0032258 k( 108) = ( -0.1428571 0.1428571 0.1428571), wk = 0.0032258 k( 109) = ( -0.1326531 0.1326531 0.1326531), wk = 0.0032258 k( 110) = ( -0.1224490 0.1224490 0.1224490), wk = 0.0032258 k( 111) = ( -0.1122449 0.1122449 0.1122449), wk = 0.0032258 k( 112) = ( -0.1020408 0.1020408 0.1020408), wk = 0.0032258 k( 113) = ( -0.0918367 0.0918367 0.0918367), wk = 0.0032258 k( 114) = ( -0.0816327 0.0816327 0.0816326), wk = 0.0032258 k( 115) = ( -0.0714286 0.0714286 0.0714286), wk = 0.0032258 k( 116) = ( -0.0612245 0.0612245 0.0612245), wk = 0.0032258 k( 117) = ( -0.0510204 0.0510204 0.0510204), wk = 0.0032258 k( 118) = ( -0.0408163 0.0408163 0.0408163), wk = 0.0032258 k( 119) = ( -0.0306122 0.0306122 0.0306122), wk = 0.0032258 k( 120) = ( -0.0204082 0.0204082 0.0204082), wk = 0.0032258 k( 121) = ( -0.0102041 0.0102041 0.0102041), wk = 0.0032258 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032258 k( 124) = ( 0.0090970 0.0090970 -0.0090970), wk = 0.0032258 k( 125) = ( 0.0181940 0.0181940 -0.0181940), wk = 0.0032258 k( 126) = ( 0.0272909 0.0272909 -0.0272909), wk = 0.0032258 k( 127) = ( 0.0363879 0.0363879 -0.0363879), wk = 0.0032258 k( 128) = ( 0.0454849 0.0454849 -0.0454849), wk = 0.0032258 k( 129) = ( 0.0545818 0.0545818 -0.0545818), wk = 0.0032258 k( 130) = ( 0.0636788 0.0636788 -0.0636788), wk = 0.0032258 k( 131) = ( 0.0727758 0.0727758 -0.0727758), wk = 0.0032258 k( 132) = ( 0.0818728 0.0818728 -0.0818728), wk = 0.0032258 k( 133) = ( 0.0909697 0.0909697 -0.0909697), wk = 0.0032258 k( 134) = ( 0.1000667 0.1000667 -0.1000667), wk = 0.0032258 k( 135) = ( 0.1091637 0.1091637 -0.1091637), wk = 0.0032258 k( 136) = ( 0.1182606 0.1182607 -0.1182606), wk = 0.0032258 k( 137) = ( 0.1273576 0.1273576 -0.1273576), wk = 0.0032258 k( 138) = ( 0.1364546 0.1364546 -0.1364546), wk = 0.0032258 k( 139) = ( 0.1455516 0.1455516 -0.1455516), wk = 0.0032258 k( 140) = ( 0.1546485 0.1546485 -0.1546485), wk = 0.0032258 k( 141) = ( 0.1637455 0.1637455 -0.1637455), wk = 0.0032258 k( 142) = ( 0.1728425 0.1728425 -0.1728425), wk = 0.0032258 k( 143) = ( 0.1819395 0.1819395 -0.1819395), wk = 0.0032258 k( 144) = ( 0.1910364 0.1910364 -0.1910364), wk = 0.0032258 k( 145) = ( 0.2001334 0.2001334 -0.2001334), wk = 0.0032258 k( 146) = ( 0.2092304 0.2092304 -0.2092304), wk = 0.0032258 k( 147) = ( 0.2183274 0.2183274 -0.2183274), wk = 0.0032258 k( 148) = ( 0.2274243 0.2274243 -0.2274243), wk = 0.0032258 k( 149) = ( 0.2365213 0.2365213 -0.2365213), wk = 0.0032258 k( 150) = ( 0.2456183 0.2456183 -0.2456183), wk = 0.0032258 k( 151) = ( 0.2547153 0.2547153 -0.2547153), wk = 0.0032258 k( 152) = ( 0.2638122 0.2638122 -0.2638122), wk = 0.0032258 k( 153) = ( 0.2729092 0.2729092 -0.2729092), wk = 0.0032258 k( 154) = ( 0.2820062 0.2820062 -0.2820062), wk = 0.0032258 k( 155) = ( 0.2911031 0.2911031 -0.2911031), wk = 0.0032258 k( 156) = ( 0.3002001 0.3002001 -0.3002001), wk = 0.0032258 k( 157) = ( 0.3092971 0.3092971 -0.3092971), wk = 0.0032258 k( 158) = ( 0.3183941 0.3183941 -0.3183941), wk = 0.0032258 k( 159) = ( 0.3274910 0.3274910 -0.3274910), wk = 0.0032258 k( 160) = ( 0.3365880 0.3365880 -0.3365880), wk = 0.0032258 k( 161) = ( 0.3456850 0.3456850 -0.3456850), wk = 0.0032258 k( 162) = ( 0.3547820 0.3547820 -0.3547819), wk = 0.0032258 k( 163) = ( 0.3638789 0.3638789 -0.3638789), wk = 0.0032258 k( 164) = ( 0.3729759 0.3729759 -0.3729759), wk = 0.0032258 k( 165) = ( 0.3820729 0.3820729 -0.3820729), wk = 0.0032258 k( 166) = ( 0.3911698 0.3911698 -0.3911698), wk = 0.0032258 k( 167) = ( 0.4002668 0.4002668 -0.4002668), wk = 0.0032258 k( 168) = ( 0.4093638 0.4093638 -0.4093638), wk = 0.0032258 k( 169) = ( 0.4184608 0.4184608 -0.4184608), wk = 0.0032258 k( 170) = ( 0.4275577 0.4275577 -0.4275577), wk = 0.0032258 k( 171) = ( 0.4366547 0.4366547 -0.4366547), wk = 0.0032258 k( 172) = ( 0.4457517 0.4457517 -0.4457517), wk = 0.0032258 k( 173) = ( 0.4457517 0.4457517 -0.4457517), wk = 0.0032258 k( 174) = ( 0.4409772 0.4409773 -0.4287821), wk = 0.0032258 k( 175) = ( 0.4362028 0.4362028 -0.4118126), wk = 0.0032258 k( 176) = ( 0.4314284 0.4314284 -0.3948430), wk = 0.0032258 k( 177) = ( 0.4266540 0.4266540 -0.3778735), wk = 0.0032258 k( 178) = ( 0.4218795 0.4218795 -0.3609039), wk = 0.0032258 k( 179) = ( 0.4171051 0.4171051 -0.3439344), wk = 0.0032258 k( 180) = ( 0.4123307 0.4123307 -0.3269648), wk = 0.0032258 k( 181) = ( 0.4075562 0.4075562 -0.3099953), wk = 0.0032258 k( 182) = ( 0.4027818 0.4027818 -0.2930257), wk = 0.0032258 k( 183) = ( 0.3980074 0.3980074 -0.2760562), wk = 0.0032258 k( 184) = ( 0.3932329 0.3932329 -0.2590866), wk = 0.0032258 k( 185) = ( 0.3884585 0.3884585 -0.2421170), wk = 0.0032258 k( 186) = ( 0.3836841 0.3836841 -0.2251475), wk = 0.0032258 k( 187) = ( 0.3789096 0.3789097 -0.2081779), wk = 0.0032258 k( 188) = ( 0.3741352 0.3741352 -0.1912084), wk = 0.0032258 k( 189) = ( 0.3693608 0.3693608 -0.1742388), wk = 0.0032258 k( 190) = ( 0.3645864 0.3645864 -0.1572693), wk = 0.0032258 k( 191) = ( 0.3598119 0.3598119 -0.1402997), wk = 0.0032258 k( 192) = ( 0.3550375 0.3550375 -0.1233302), wk = 0.0032258 k( 193) = ( 0.3502631 0.3502631 -0.1063606), wk = 0.0032258 k( 194) = ( 0.3454886 0.3454886 -0.0893911), wk = 0.0032258 k( 195) = ( 0.3407142 0.3407142 -0.0724215), wk = 0.0032258 k( 196) = ( 0.3359398 0.3359398 -0.0554520), wk = 0.0032258 k( 197) = ( 0.3311653 0.3311653 -0.0384824), wk = 0.0032258 k( 198) = ( 0.3263909 0.3263909 -0.0215129), wk = 0.0032258 k( 199) = ( 0.3216165 0.3216165 -0.0045433), wk = 0.0032258 k( 200) = ( 0.3168420 0.3168420 0.0124262), wk = 0.0032258 k( 201) = ( 0.3120676 0.3120676 0.0293958), wk = 0.0032258 k( 202) = ( 0.3072932 0.3072932 0.0463654), wk = 0.0032258 k( 203) = ( 0.3025187 0.3025187 0.0633349), wk = 0.0032258 k( 204) = ( 0.2977443 0.2977443 0.0803045), wk = 0.0032258 k( 205) = ( 0.2929699 0.2929699 0.0972740), wk = 0.0032258 k( 206) = ( 0.2881955 0.2881955 0.1142436), wk = 0.0032258 k( 207) = ( 0.2834210 0.2834210 0.1312131), wk = 0.0032258 k( 208) = ( 0.2786466 0.2786466 0.1481827), wk = 0.0032258 k( 209) = ( 0.2738722 0.2738722 0.1651522), wk = 0.0032258 k( 210) = ( 0.2690977 0.2690977 0.1821218), wk = 0.0032258 k( 211) = ( 0.2643233 0.2643233 0.1990913), wk = 0.0032258 k( 212) = ( 0.2595489 0.2595489 0.2160609), wk = 0.0032258 k( 213) = ( 0.2547744 0.2547744 0.2330304), wk = 0.0032258 k( 214) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032258 k( 215) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032258 k( 216) = ( 0.2400000 0.2600000 0.2400000), wk = 0.0032258 k( 217) = ( 0.2300000 0.2700000 0.2300000), wk = 0.0032258 k( 218) = ( 0.2200000 0.2800000 0.2200000), wk = 0.0032258 k( 219) = ( 0.2100000 0.2900000 0.2100000), wk = 0.0032258 k( 220) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0032258 k( 221) = ( 0.1900000 0.3100000 0.1900000), wk = 0.0032258 k( 222) = ( 0.1800000 0.3200000 0.1800000), wk = 0.0032258 k( 223) = ( 0.1700000 0.3300000 0.1700000), wk = 0.0032258 k( 224) = ( 0.1600000 0.3400000 0.1600000), wk = 0.0032258 k( 225) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0032258 k( 226) = ( 0.1400000 0.3600000 0.1400000), wk = 0.0032258 k( 227) = ( 0.1300000 0.3700000 0.1300000), wk = 0.0032258 k( 228) = ( 0.1200000 0.3800000 0.1200000), wk = 0.0032258 k( 229) = ( 0.1100000 0.3900000 0.1100000), wk = 0.0032258 k( 230) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0032258 k( 231) = ( 0.0900000 0.4100000 0.0900000), wk = 0.0032258 k( 232) = ( 0.0800000 0.4200000 0.0800000), wk = 0.0032258 k( 233) = ( 0.0700000 0.4300000 0.0700000), wk = 0.0032258 k( 234) = ( 0.0600000 0.4400000 0.0600000), wk = 0.0032258 k( 235) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0032258 k( 236) = ( 0.0400000 0.4600000 0.0400000), wk = 0.0032258 k( 237) = ( 0.0300000 0.4700000 0.0300000), wk = 0.0032258 k( 238) = ( 0.0200000 0.4800000 0.0200000), wk = 0.0032258 k( 239) = ( 0.0100000 0.4900000 0.0100000), wk = 0.0032258 k( 240) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032258 k( 241) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032258 k( 242) = ( -0.0135076 0.5016439 0.0135076), wk = 0.0032258 k( 243) = ( -0.0270153 0.5032878 0.0270153), wk = 0.0032258 k( 244) = ( -0.0405229 0.5049317 0.0405229), wk = 0.0032258 k( 245) = ( -0.0540305 0.5065755 0.0540305), wk = 0.0032258 k( 246) = ( -0.0675381 0.5082194 0.0675381), wk = 0.0032258 k( 247) = ( -0.0810458 0.5098633 0.0810458), wk = 0.0032258 k( 248) = ( -0.0945534 0.5115072 0.0945534), wk = 0.0032258 k( 249) = ( -0.1080610 0.5131511 0.1080610), wk = 0.0032258 k( 250) = ( -0.1215686 0.5147950 0.1215686), wk = 0.0032258 k( 251) = ( -0.1350763 0.5164389 0.1350763), wk = 0.0032258 k( 252) = ( -0.1485839 0.5180828 0.1485839), wk = 0.0032258 k( 253) = ( -0.1620915 0.5197267 0.1620915), wk = 0.0032258 k( 254) = ( -0.1755992 0.5213705 0.1755992), wk = 0.0032258 k( 255) = ( -0.1891068 0.5230144 0.1891068), wk = 0.0032258 k( 256) = ( -0.2026144 0.5246583 0.2026144), wk = 0.0032258 k( 257) = ( -0.2161220 0.5263022 0.2161220), wk = 0.0032258 k( 258) = ( -0.2296297 0.5279461 0.2296297), wk = 0.0032258 k( 259) = ( -0.2431373 0.5295900 0.2431373), wk = 0.0032258 k( 260) = ( -0.2566449 0.5312339 0.2566449), wk = 0.0032258 k( 261) = ( -0.2701525 0.5328778 0.2701525), wk = 0.0032258 k( 262) = ( -0.2836602 0.5345216 0.2836602), wk = 0.0032258 k( 263) = ( -0.2971678 0.5361655 0.2971678), wk = 0.0032258 k( 264) = ( -0.3106754 0.5378094 0.3106754), wk = 0.0032258 k( 265) = ( -0.3241830 0.5394533 0.3241830), wk = 0.0032258 k( 266) = ( -0.3376907 0.5410972 0.3376907), wk = 0.0032258 k( 267) = ( -0.3511983 0.5427411 0.3511983), wk = 0.0032258 k( 268) = ( -0.3647059 0.5443850 0.3647059), wk = 0.0032258 k( 269) = ( -0.3782136 0.5460289 0.3782136), wk = 0.0032258 k( 270) = ( -0.3917212 0.5476728 0.3917212), wk = 0.0032258 k( 271) = ( -0.4052288 0.5493166 0.4052288), wk = 0.0032258 k( 272) = ( -0.4187364 0.5509605 0.4187364), wk = 0.0032258 k( 273) = ( -0.4322441 0.5526044 0.4322441), wk = 0.0032258 k( 274) = ( -0.4457517 0.5542483 0.4457517), wk = 0.0032258 k( 275) = ( -0.4457517 0.5542483 0.4457517), wk = 0.0032258 k( 276) = ( -0.4547931 0.5452069 0.4547931), wk = 0.0032258 k( 277) = ( -0.4638345 0.5361655 0.4638345), wk = 0.0032258 k( 278) = ( -0.4728758 0.5271242 0.4728758), wk = 0.0032258 k( 279) = ( -0.4819172 0.5180828 0.4819172), wk = 0.0032258 k( 280) = ( -0.4909586 0.5090414 0.4909586), wk = 0.0032258 k( 281) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0032258 k( 282) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032258 k( 283) = ( 0.0089286 0.0089286 0.4910714), wk = 0.0032258 k( 284) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0032258 k( 285) = ( 0.0267857 0.0267857 0.4732143), wk = 0.0032258 k( 286) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0032258 k( 287) = ( 0.0446429 0.0446429 0.4553571), wk = 0.0032258 k( 288) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0032258 k( 289) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0032258 k( 290) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0032258 k( 291) = ( 0.0803571 0.0803571 0.4196429), wk = 0.0032258 k( 292) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0032258 k( 293) = ( 0.0982143 0.0982143 0.4017857), wk = 0.0032258 k( 294) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0032258 k( 295) = ( 0.1160714 0.1160714 0.3839286), wk = 0.0032258 k( 296) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0032258 k( 297) = ( 0.1339286 0.1339286 0.3660714), wk = 0.0032258 k( 298) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0032258 k( 299) = ( 0.1517857 0.1517857 0.3482143), wk = 0.0032258 k( 300) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0032258 k( 301) = ( 0.1696429 0.1696429 0.3303571), wk = 0.0032258 k( 302) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0032258 k( 303) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0032258 k( 304) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0032258 k( 305) = ( 0.2053571 0.2053571 0.2946429), wk = 0.0032258 k( 306) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0032258 k( 307) = ( 0.2232143 0.2232143 0.2767857), wk = 0.0032258 k( 308) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0032258 k( 309) = ( 0.2410714 0.2410714 0.2589286), wk = 0.0032258 k( 310) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032258 Dense grid: 78883 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.50 Mb ( 562, 58) NL pseudopotentials 0.87 Mb ( 281, 204) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2193) G-vector shells 0.01 Mb ( 1015) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.99 Mb ( 562, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.36 Mb ( 204, 2, 58) The potential is recalculated from file : ./CrSb2.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 3.6 secs Computing kpt #: 3 total cpu time spent up to now is 4.5 secs Computing kpt #: 4 total cpu time spent up to now is 5.4 secs Computing kpt #: 5 total cpu time spent up to now is 6.3 secs Computing kpt #: 6 total cpu time spent up to now is 7.3 secs Computing kpt #: 7 total cpu time spent up to now is 8.2 secs Computing kpt #: 8 total cpu time spent up to now is 9.1 secs Computing kpt #: 9 total cpu time spent up to now is 10.0 secs Computing kpt #: 10 total cpu time spent up to now is 11.0 secs Computing kpt #: 11 total cpu time spent up to now is 12.2 secs Computing kpt #: 12 total cpu time spent up to now is 13.1 secs Computing kpt #: 13 total cpu time spent up to now is 14.6 secs Computing kpt #: 14 total cpu time spent up to now is 16.0 secs Computing kpt #: 15 total cpu time spent up to now is 17.4 secs Computing kpt #: 16 total cpu time spent up to now is 18.9 secs Computing kpt #: 17 total cpu time spent up to now is 20.3 secs Computing kpt #: 18 total cpu time spent up to now is 21.8 secs Computing kpt #: 19 total cpu time spent up to now is 23.3 secs Computing kpt #: 20 total cpu time spent up to now is 24.8 secs Computing kpt #: 21 total cpu time spent up to now is 26.3 secs Computing kpt #: 22 total cpu time spent up to now is 27.6 secs Computing kpt #: 23 total cpu time spent up to now is 29.0 secs Computing kpt #: 24 total cpu time spent up to now is 30.4 secs Computing kpt #: 25 total cpu time spent up to now is 31.3 secs Computing kpt #: 26 total cpu time spent up to now is 32.3 secs Computing kpt #: 27 total cpu time spent up to now is 33.2 secs Computing kpt #: 28 total cpu time spent up to now is 34.1 secs Computing kpt #: 29 total cpu time spent up to now is 35.0 secs Computing kpt #: 30 total cpu time spent up to now is 35.9 secs Computing kpt #: 31 total cpu time spent up to now is 36.7 secs Computing kpt #: 32 total cpu time spent up to now is 37.6 secs Computing kpt #: 33 total cpu time spent up to now is 38.5 secs Computing kpt #: 34 total cpu time spent up to now is 39.3 secs Computing kpt #: 35 total cpu time spent up to now is 40.2 secs Computing kpt #: 36 total cpu time spent up to now is 41.0 secs Computing kpt #: 37 total cpu time spent up to now is 41.8 secs Computing kpt #: 38 total cpu time spent up to now is 42.7 secs Computing kpt #: 39 total cpu time spent up to now is 43.6 secs Computing kpt #: 40 total cpu time spent up to now is 44.5 secs Computing kpt #: 41 total cpu time spent up to now is 45.4 secs Computing kpt #: 42 total cpu time spent up to now is 46.3 secs Computing kpt #: 43 total cpu time spent up to now is 47.2 secs Computing kpt #: 44 total cpu time spent up to now is 48.1 secs Computing kpt #: 45 total cpu time spent up to now is 49.0 secs Computing kpt #: 46 total cpu time spent up to now is 49.9 secs Computing kpt #: 47 total cpu time spent up to now is 50.8 secs Computing kpt #: 48 total cpu time spent up to now is 51.7 secs Computing kpt #: 49 total cpu time spent up to now is 52.6 secs Computing kpt #: 50 total cpu time spent up to now is 53.5 secs Computing kpt #: 51 total cpu time spent up to now is 54.4 secs Computing kpt #: 52 total cpu time spent up to now is 55.3 secs Computing kpt #: 53 total cpu time spent up to now is 56.2 secs Computing kpt #: 54 total cpu time spent up to now is 57.1 secs Computing kpt #: 55 total cpu time spent up to now is 58.0 secs Computing kpt #: 56 total cpu time spent up to now is 58.9 secs Computing kpt #: 57 total cpu time spent up to now is 60.1 secs Computing kpt #: 58 total cpu time spent up to now is 61.3 secs Computing kpt #: 59 total cpu time spent up to now is 62.5 secs Computing kpt #: 60 total cpu time spent up to now is 63.6 secs Computing kpt #: 61 total cpu time spent up to now is 64.5 secs Computing kpt #: 62 total cpu time spent up to now is 65.6 secs Computing kpt #: 63 total cpu time spent up to now is 66.7 secs Computing kpt #: 64 total cpu time spent up to now is 67.8 secs Computing kpt #: 65 total cpu time spent up to now is 68.9 secs Computing kpt #: 66 total cpu time spent up to now is 70.0 secs Computing kpt #: 67 total cpu time spent up to now is 71.1 secs Computing kpt #: 68 total cpu time spent up to now is 72.4 secs Computing kpt #: 69 total cpu time spent up to now is 73.6 secs Computing kpt #: 70 total cpu time spent up to now is 74.8 secs Computing kpt #: 71 total cpu time spent up to now is 75.9 secs Computing kpt #: 72 total cpu time spent up to now is 76.9 secs Computing kpt #: 73 total cpu time spent up to now is 77.8 secs Computing kpt #: 74 total cpu time spent up to now is 78.8 secs Computing kpt #: 75 total cpu time spent up to now is 80.2 secs Computing kpt #: 76 total cpu time spent up to now is 81.3 secs Computing kpt #: 77 total cpu time spent up to now is 82.6 secs Computing kpt #: 78 total cpu time spent up to now is 83.7 secs Computing kpt #: 79 total cpu time spent up to now is 84.9 secs Computing kpt #: 80 total cpu time spent up to now is 86.2 secs Computing kpt #: 81 total cpu time spent up to now is 87.7 secs Computing kpt #: 82 total cpu time spent up to now is 89.0 secs Computing kpt #: 83 total cpu time spent up to now is 90.4 secs Computing kpt #: 84 total cpu time spent up to now is 91.6 secs Computing kpt #: 85 total cpu time spent up to now is 92.5 secs Computing kpt #: 86 total cpu time spent up to now is 93.5 secs Computing kpt #: 87 total cpu time spent up to now is 94.4 secs Computing kpt #: 88 total cpu time spent up to now is 95.9 secs Computing kpt #: 89 total cpu time spent up to now is 97.4 secs Computing kpt #: 90 total cpu time spent up to now is 98.8 secs Computing kpt #: 91 total cpu time spent up to now is 100.2 secs Computing kpt #: 92 total cpu time spent up to now is 101.2 secs Computing kpt #: 93 total cpu time spent up to now is 102.1 secs Computing kpt #: 94 total cpu time spent up to now is 103.0 secs Computing kpt #: 95 total cpu time spent up to now is 103.9 secs Computing kpt #: 96 total cpu time spent up to now is 104.8 secs Computing kpt #: 97 total cpu time spent up to now is 106.1 secs Computing kpt #: 98 total cpu time spent up to now is 107.5 secs Computing kpt #: 99 total cpu time spent up to now is 108.7 secs Computing kpt #: 100 total cpu time spent up to now is 110.1 secs Computing kpt #: 101 total cpu time spent up to now is 111.6 secs Computing kpt #: 102 total cpu time spent up to now is 113.0 secs Computing kpt #: 103 total cpu time spent up to now is 114.2 secs Computing kpt #: 104 total cpu time spent up to now is 115.6 secs Computing kpt #: 105 total cpu time spent up to now is 116.9 secs Computing kpt #: 106 total cpu time spent up to now is 118.3 secs Computing kpt #: 107 total cpu time spent up to now is 119.6 secs Computing kpt #: 108 total cpu time spent up to now is 120.9 secs Computing kpt #: 109 total cpu time spent up to now is 122.2 secs Computing kpt #: 110 total cpu time spent up to now is 123.5 secs Computing kpt #: 111 total cpu time spent up to now is 125.0 secs Computing kpt #: 112 total cpu time spent up to now is 126.1 secs Computing kpt #: 113 total cpu time spent up to now is 127.6 secs Computing kpt #: 114 total cpu time spent up to now is 129.0 secs Computing kpt #: 115 total cpu time spent up to now is 129.9 secs Computing kpt #: 116 total cpu time spent up to now is 130.9 secs Computing kpt #: 117 total cpu time spent up to now is 131.8 secs Computing kpt #: 118 total cpu time spent up to now is 132.7 secs Computing kpt #: 119 total cpu time spent up to now is 133.6 secs Computing kpt #: 120 total cpu time spent up to now is 134.5 secs Computing kpt #: 121 total cpu time spent up to now is 135.4 secs Computing kpt #: 122 total cpu time spent up to now is 136.4 secs Computing kpt #: 123 total cpu time spent up to now is 137.3 secs Computing kpt #: 124 total cpu time spent up to now is 138.2 secs Computing kpt #: 125 total cpu time spent up to now is 139.2 secs Computing kpt #: 126 total cpu time spent up to now is 140.2 secs Computing kpt #: 127 total cpu time spent up to now is 141.2 secs Computing kpt #: 128 total cpu time spent up to now is 142.1 secs Computing kpt #: 129 total cpu time spent up to now is 143.2 secs Computing kpt #: 130 total cpu time spent up to now is 144.2 secs Computing kpt #: 131 total cpu time spent up to now is 145.3 secs Computing kpt #: 132 total cpu time spent up to now is 146.4 secs Computing kpt #: 133 total cpu time spent up to now is 147.3 secs Computing kpt #: 134 total cpu time spent up to now is 148.4 secs Computing kpt #: 135 total cpu time spent up to now is 149.7 secs Computing kpt #: 136 total cpu time spent up to now is 151.0 secs Computing kpt #: 137 total cpu time spent up to now is 152.4 secs Computing kpt #: 138 total cpu time spent up to now is 153.7 secs Computing kpt #: 139 total cpu time spent up to now is 155.0 secs Computing kpt #: 140 total cpu time spent up to now is 156.3 secs Computing kpt #: 141 total cpu time spent up to now is 157.5 secs Computing kpt #: 142 total cpu time spent up to now is 158.4 secs Computing kpt #: 143 total cpu time spent up to now is 159.4 secs Computing kpt #: 144 total cpu time spent up to now is 160.3 secs Computing kpt #: 145 total cpu time spent up to now is 161.2 secs Computing kpt #: 146 total cpu time spent up to now is 162.0 secs Computing kpt #: 147 total cpu time spent up to now is 162.9 secs Computing kpt #: 148 total cpu time spent up to now is 163.8 secs Computing kpt #: 149 total cpu time spent up to now is 164.6 secs Computing kpt #: 150 total cpu time spent up to now is 165.5 secs Computing kpt #: 151 total cpu time spent up to now is 166.3 secs Computing kpt #: 152 total cpu time spent up to now is 167.2 secs Computing kpt #: 153 total cpu time spent up to now is 168.0 secs Computing kpt #: 154 total cpu time spent up to now is 168.8 secs Computing kpt #: 155 total cpu time spent up to now is 169.6 secs Computing kpt #: 156 total cpu time spent up to now is 170.4 secs Computing kpt #: 157 total cpu time spent up to now is 171.2 secs Computing kpt #: 158 total cpu time spent up to now is 172.0 secs Computing kpt #: 159 total cpu time spent up to now is 172.8 secs Computing kpt #: 160 total cpu time spent up to now is 173.6 secs Computing kpt #: 161 total cpu time spent up to now is 174.4 secs Computing kpt #: 162 total cpu time spent up to now is 175.3 secs Computing kpt #: 163 total cpu time spent up to now is 176.1 secs Computing kpt #: 164 total cpu time spent up to now is 177.0 secs Computing kpt #: 165 total cpu time spent up to now is 177.9 secs Computing kpt #: 166 total cpu time spent up to now is 178.8 secs Computing kpt #: 167 total cpu time spent up to now is 179.8 secs Computing kpt #: 168 total cpu time spent up to now is 180.9 secs Computing kpt #: 169 total cpu time spent up to now is 181.9 secs Computing kpt #: 170 total cpu time spent up to now is 182.8 secs Computing kpt #: 171 total cpu time spent up to now is 183.8 secs Computing kpt #: 172 total cpu time spent up to now is 185.0 secs Computing kpt #: 173 total cpu time spent up to now is 186.1 secs Computing kpt #: 174 total cpu time spent up to now is 187.1 secs Computing kpt #: 175 total cpu time spent up to now is 188.0 secs Computing kpt #: 176 total cpu time spent up to now is 189.0 secs Computing kpt #: 177 total cpu time spent up to now is 189.9 secs Computing kpt #: 178 total cpu time spent up to now is 190.9 secs Computing kpt #: 179 total cpu time spent up to now is 191.9 secs Computing kpt #: 180 total cpu time spent up to now is 192.8 secs Computing kpt #: 181 total cpu time spent up to now is 193.7 secs Computing kpt #: 182 total cpu time spent up to now is 194.6 secs Computing kpt #: 183 total cpu time spent up to now is 195.6 secs Computing kpt #: 184 total cpu time spent up to now is 196.5 secs Computing kpt #: 185 total cpu time spent up to now is 197.4 secs Computing kpt #: 186 total cpu time spent up to now is 198.4 secs Computing kpt #: 187 total cpu time spent up to now is 199.3 secs Computing kpt #: 188 total cpu time spent up to now is 200.3 secs Computing kpt #: 189 total cpu time spent up to now is 201.2 secs Computing kpt #: 190 total cpu time spent up to now is 202.2 secs Computing kpt #: 191 total cpu time spent up to now is 203.1 secs Computing kpt #: 192 total cpu time spent up to now is 204.0 secs Computing kpt #: 193 total cpu time spent up to now is 204.9 secs Computing kpt #: 194 total cpu time spent up to now is 205.8 secs Computing kpt #: 195 total cpu time spent up to now is 206.9 secs Computing kpt #: 196 total cpu time spent up to now is 207.9 secs Computing kpt #: 197 total cpu time spent up to now is 209.0 secs Computing kpt #: 198 total cpu time spent up to now is 210.2 secs Computing kpt #: 199 total cpu time spent up to now is 211.4 secs Computing kpt #: 200 total cpu time spent up to now is 212.6 secs Computing kpt #: 201 total cpu time spent up to now is 214.0 secs Computing kpt #: 202 total cpu time spent up to now is 215.5 secs Computing kpt #: 203 total cpu time spent up to now is 217.1 secs Computing kpt #: 204 total cpu time spent up to now is 218.3 secs Computing kpt #: 205 total cpu time spent up to now is 220.6 secs Computing kpt #: 206 total cpu time spent up to now is 222.6 secs Computing kpt #: 207 total cpu time spent up to now is 224.4 secs Computing kpt #: 208 total cpu time spent up to now is 226.5 secs Computing kpt #: 209 total cpu time spent up to now is 228.6 secs Computing kpt #: 210 total cpu time spent up to now is 230.4 secs Computing kpt #: 211 total cpu time spent up to now is 231.6 secs Computing kpt #: 212 total cpu time spent up to now is 233.7 secs Computing kpt #: 213 total cpu time spent up to now is 235.0 secs Computing kpt #: 214 total cpu time spent up to now is 236.5 secs Computing kpt #: 215 total cpu time spent up to now is 238.4 secs Computing kpt #: 216 total cpu time spent up to now is 239.6 secs Computing kpt #: 217 total cpu time spent up to now is 240.8 secs Computing kpt #: 218 total cpu time spent up to now is 242.0 secs Computing kpt #: 219 total cpu time spent up to now is 243.2 secs Computing kpt #: 220 total cpu time spent up to now is 244.4 secs Computing kpt #: 221 total cpu time spent up to now is 246.1 secs Computing kpt #: 222 total cpu time spent up to now is 247.9 secs Computing kpt #: 223 total cpu time spent up to now is 249.2 secs Computing kpt #: 224 total cpu time spent up to now is 250.3 secs Computing kpt #: 225 total cpu time spent up to now is 251.5 secs Computing kpt #: 226 total cpu time spent up to now is 252.7 secs Computing kpt #: 227 total cpu time spent up to now is 253.9 secs Computing kpt #: 228 total cpu time spent up to now is 255.1 secs Computing kpt #: 229 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 257.7 secs Computing kpt #: 230 total cpu time spent up to now is 259.9 secs Computing kpt #: 231 total cpu time spent up to now is 261.8 secs Computing kpt #: 232 total cpu time spent up to now is 264.0 secs Computing kpt #: 233 total cpu time spent up to now is 266.2 secs Computing kpt #: 234 total cpu time spent up to now is 267.8 secs Computing kpt #: 235 total cpu time spent up to now is 269.6 secs Computing kpt #: 236 total cpu time spent up to now is 271.7 secs Computing kpt #: 237 total cpu time spent up to now is 273.3 secs Computing kpt #: 238 total cpu time spent up to now is 274.9 secs Computing kpt #: 239 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 277.4 secs Computing kpt #: 240 total cpu time spent up to now is 278.5 secs Computing kpt #: 241 total cpu time spent up to now is 279.6 secs Computing kpt #: 242 total cpu time spent up to now is 281.0 secs Computing kpt #: 243 total cpu time spent up to now is 282.2 secs Computing kpt #: 244 total cpu time spent up to now is 283.4 secs Computing kpt #: 245 total cpu time spent up to now is 284.5 secs Computing kpt #: 246 total cpu time spent up to now is 285.6 secs Computing kpt #: 247 total cpu time spent up to now is 286.7 secs Computing kpt #: 248 total cpu time spent up to now is 287.8 secs Computing kpt #: 249 total cpu time spent up to now is 289.0 secs Computing kpt #: 250 total cpu time spent up to now is 290.3 secs Computing kpt #: 251 total cpu time spent up to now is 291.6 secs Computing kpt #: 252 total cpu time spent up to now is 292.8 secs Computing kpt #: 253 total cpu time spent up to now is 294.1 secs Computing kpt #: 254 total cpu time spent up to now is 295.5 secs Computing kpt #: 255 total cpu time spent up to now is 296.5 secs Computing kpt #: 256 total cpu time spent up to now is 297.4 secs Computing kpt #: 257 total cpu time spent up to now is 298.4 secs Computing kpt #: 258 total cpu time spent up to now is 299.3 secs Computing kpt #: 259 total cpu time spent up to now is 300.2 secs Computing kpt #: 260 total cpu time spent up to now is 301.1 secs Computing kpt #: 261 total cpu time spent up to now is 302.1 secs Computing kpt #: 262 total cpu time spent up to now is 303.0 secs Computing kpt #: 263 total cpu time spent up to now is 303.8 secs Computing kpt #: 264 total cpu time spent up to now is 304.7 secs Computing kpt #: 265 total cpu time spent up to now is 305.6 secs Computing kpt #: 266 total cpu time spent up to now is 306.5 secs Computing kpt #: 267 total cpu time spent up to now is 307.4 secs Computing kpt #: 268 total cpu time spent up to now is 308.4 secs Computing kpt #: 269 total cpu time spent up to now is 309.3 secs Computing kpt #: 270 total cpu time spent up to now is 310.3 secs Computing kpt #: 271 total cpu time spent up to now is 311.2 secs Computing kpt #: 272 total cpu time spent up to now is 312.2 secs Computing kpt #: 273 total cpu time spent up to now is 313.2 secs Computing kpt #: 274 total cpu time spent up to now is 314.1 secs Computing kpt #: 275 total cpu time spent up to now is 315.2 secs Computing kpt #: 276 total cpu time spent up to now is 316.3 secs Computing kpt #: 277 total cpu time spent up to now is 317.4 secs Computing kpt #: 278 total cpu time spent up to now is 318.3 secs Computing kpt #: 279 total cpu time spent up to now is 319.3 secs Computing kpt #: 280 total cpu time spent up to now is 320.2 secs Computing kpt #: 281 total cpu time spent up to now is 321.2 secs Computing kpt #: 282 total cpu time spent up to now is 322.0 secs Computing kpt #: 283 total cpu time spent up to now is 322.8 secs Computing kpt #: 284 total cpu time spent up to now is 323.7 secs Computing kpt #: 285 total cpu time spent up to now is 324.6 secs Computing kpt #: 286 total cpu time spent up to now is 325.5 secs Computing kpt #: 287 total cpu time spent up to now is 326.4 secs Computing kpt #: 288 total cpu time spent up to now is 327.3 secs Computing kpt #: 289 total cpu time spent up to now is 328.2 secs Computing kpt #: 290 total cpu time spent up to now is 329.1 secs Computing kpt #: 291 total cpu time spent up to now is 330.1 secs Computing kpt #: 292 total cpu time spent up to now is 331.0 secs Computing kpt #: 293 total cpu time spent up to now is 331.9 secs Computing kpt #: 294 total cpu time spent up to now is 332.9 secs Computing kpt #: 295 total cpu time spent up to now is 333.8 secs Computing kpt #: 296 total cpu time spent up to now is 334.7 secs Computing kpt #: 297 total cpu time spent up to now is 335.6 secs Computing kpt #: 298 total cpu time spent up to now is 336.6 secs Computing kpt #: 299 total cpu time spent up to now is 337.5 secs Computing kpt #: 300 total cpu time spent up to now is 338.6 secs Computing kpt #: 301 total cpu time spent up to now is 339.7 secs Computing kpt #: 302 total cpu time spent up to now is 341.0 secs Computing kpt #: 303 total cpu time spent up to now is 342.4 secs Computing kpt #: 304 total cpu time spent up to now is 344.2 secs Computing kpt #: 305 total cpu time spent up to now is 346.0 secs Computing kpt #: 306 total cpu time spent up to now is 347.6 secs Computing kpt #: 307 total cpu time spent up to now is 349.4 secs Computing kpt #: 308 total cpu time spent up to now is 351.2 secs Computing kpt #: 309 total cpu time spent up to now is 352.7 secs Computing kpt #: 310 total cpu time spent up to now is 354.2 secs ethr = 2.08E-08, avg # of iterations = 27.9 total cpu time spent up to now is 354.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9903 PWs) bands (ev): -59.8679 -59.8679 -59.8556 -59.8556 -31.9723 -31.9723 -31.9267 -31.9267 -31.0392 -31.0392 -30.9606 -30.9606 -30.9437 -30.9437 -30.9395 -30.9395 -1.9019 -1.9019 2.5410 2.5410 3.4050 3.4050 3.4064 3.4064 6.2674 6.2674 6.7311 6.7311 6.9816 6.9816 7.4142 7.4142 7.8110 7.8110 7.8751 7.8751 7.8879 7.8879 8.2110 8.2110 9.4046 9.4046 9.8036 9.8036 10.7338 10.7338 11.0064 11.0064 11.6049 11.6049 11.6375 11.6375 11.7812 11.7812 11.8118 11.8118 12.1926 12.1926 k = 0.0000 0.0000 0.0169 ( 9895 PWs) bands (ev): -59.8679 -59.8679 -59.8550 -59.8550 -31.9722 -31.9722 -31.9267 -31.9267 -31.0391 -31.0391 -30.9606 -30.9606 -30.9436 -30.9436 -30.9395 -30.9395 -1.9005 -1.9005 2.5388 2.5388 3.4010 3.4010 3.4059 3.4059 6.2708 6.2708 6.7262 6.7262 6.9712 6.9712 7.4305 7.4305 7.7719 7.7719 7.8816 7.8816 7.9253 7.9253 8.2123 8.2123 9.4034 9.4034 9.8028 9.8028 10.7394 10.7394 11.0077 11.0077 11.6046 11.6046 11.6373 11.6373 11.7823 11.7823 11.8133 11.8133 12.1958 12.1958 k = 0.0000 0.0000 0.0337 ( 9897 PWs) bands (ev): -59.8687 -59.8687 -59.8543 -59.8543 -31.9721 -31.9721 -31.9268 -31.9268 -31.0390 -31.0390 -30.9607 -30.9607 -30.9435 -30.9435 -30.9396 -30.9396 -1.8962 -1.8962 2.5323 2.5323 3.3875 3.3875 3.4059 3.4059 6.2806 6.2806 6.7110 6.7110 6.9475 6.9475 7.4660 7.4660 7.7234 7.7234 7.8809 7.8809 7.9937 7.9937 8.2172 8.2172 9.3989 9.3989 9.7998 9.7998 10.7540 10.7540 11.0111 11.0111 11.6018 11.6018 11.6347 11.6347 11.7831 11.7831 11.8164 11.8164 12.2013 12.2013 k = 0.0000 0.0000 0.0506 ( 9913 PWs) bands (ev): -59.8699 -59.8699 -59.8543 -59.8543 -31.9720 -31.9720 -31.9270 -31.9270 -31.0389 -31.0389 -30.9610 -30.9610 -30.9436 -30.9436 -30.9398 -30.9398 -1.8891 -1.8891 2.5215 2.5215 3.3649 3.3649 3.4062 3.4062 6.2966 6.2966 6.6861 6.6861 6.9233 6.9233 7.4863 7.4863 7.7028 7.7028 7.8849 7.8849 8.0626 8.0626 8.2284 8.2284 9.3905 9.3905 9.7949 9.7949 10.7755 10.7755 11.0162 11.0162 11.5964 11.5964 11.6298 11.6298 11.7809 11.7809 11.8248 11.8248 12.2056 12.2056 k = 0.0000 0.0000 0.0674 ( 9913 PWs) bands (ev): -59.8699 -59.8699 -59.8543 -59.8543 -31.9720 -31.9720 -31.9270 -31.9270 -31.0389 -31.0389 -30.9609 -30.9609 -30.9436 -30.9436 -30.9399 -30.9399 -1.8792 -1.8792 2.5064 2.5064 3.3337 3.3337 3.4064 3.4064 6.3175 6.3175 6.6549 6.6549 6.9054 6.9054 7.4645 7.4645 7.7157 7.7157 7.9073 7.9073 8.1237 8.1237 8.2529 8.2529 9.3825 9.3825 9.7889 9.7889 10.8047 10.8047 11.0259 11.0259 11.5928 11.5928 11.6272 11.6272 11.7741 11.7741 11.8360 11.8360 12.2123 12.2123 k = 0.0000 0.0000 0.0843 ( 9909 PWs) bands (ev): -59.8696 -59.8696 -59.8543 -59.8543 -31.9720 -31.9720 -31.9269 -31.9269 -31.0389 -31.0389 -30.9609 -30.9609 -30.9436 -30.9436 -30.9398 -30.9398 -1.8664 -1.8664 2.4872 2.4872 3.2942 3.2942 3.4067 3.4067 6.3413 6.3413 6.6240 6.6240 6.8942 6.8942 7.4165 7.4165 7.7247 7.7247 7.9621 7.9621 8.1698 8.1698 8.3002 8.3002 9.3723 9.3723 9.7814 9.7814 10.8355 10.8355 11.0421 11.0421 11.5892 11.5892 11.6259 11.6259 11.7647 11.7647 11.8506 11.8506 12.2236 12.2236 k = 0.0000 0.0000 0.1011 ( 9915 PWs) bands (ev): -59.8698 -59.8698 -59.8547 -59.8547 -31.9721 -31.9721 -31.9269 -31.9269 -31.0389 -31.0389 -30.9609 -30.9609 -30.9437 -30.9437 -30.9399 -30.9399 -1.8507 -1.8507 2.4639 2.4639 3.2471 3.2471 3.4071 3.4071 6.3637 6.3637 6.6018 6.6018 6.8880 6.8880 7.3600 7.3600 7.7141 7.7141 8.0359 8.0359 8.2117 8.2117 8.3672 8.3672 9.3587 9.3587 9.7714 9.7714 10.8642 10.8642 11.0685 11.0685 11.5824 11.5824 11.6243 11.6243 11.7519 11.7519 11.8697 11.8697 12.2360 12.2360 k = 0.0000 0.0000 0.1180 ( 9921 PWs) bands (ev): -59.8703 -59.8703 -59.8547 -59.8547 -31.9720 -31.9720 -31.9270 -31.9270 -31.0389 -31.0389 -30.9610 -30.9610 -30.9437 -30.9437 -30.9399 -30.9399 -1.8323 -1.8323 2.4365 2.4365 3.1930 3.1930 3.4075 3.4075 6.3788 6.3788 6.5971 6.5971 6.8847 6.8847 7.3023 7.3023 7.6907 7.6907 8.0960 8.0960 8.2765 8.2765 8.4441 8.4441 9.3428 9.3428 9.7585 9.7585 10.8889 10.8889 11.1108 11.1108 11.5754 11.5754 11.6224 11.6224 11.7361 11.7361 11.8896 11.8896 12.2515 12.2515 k = 0.0000 0.0000 0.1348 ( 9929 PWs) bands (ev): -59.8706 -59.8706 -59.8550 -59.8550 -31.9721 -31.9721 -31.9271 -31.9271 -31.0389 -31.0389 -30.9611 -30.9611 -30.9437 -30.9437 -30.9400 -30.9400 -1.8111 -1.8111 2.4049 2.4049 3.1328 3.1328 3.4080 3.4080 6.3825 6.3825 6.6159 6.6159 6.8827 6.8827 7.2463 7.2463 7.6599 7.6599 8.1285 8.1285 8.3745 8.3745 8.5252 8.5252 9.3244 9.3244 9.7433 9.7433 10.9058 10.9058 11.1652 11.1652 11.5669 11.5669 11.6212 11.6212 11.7186 11.7186 11.9138 11.9138 12.2693 12.2693 k = 0.0000 0.0000 0.1517 ( 9933 PWs) bands (ev): -59.8709 -59.8709 -59.8550 -59.8550 -31.9721 -31.9721 -31.9271 -31.9271 -31.0389 -31.0389 -30.9612 -30.9612 -30.9437 -30.9437 -30.9400 -30.9400 -1.7870 -1.7870 2.3690 2.3690 3.0677 3.0677 3.4085 3.4085 6.3780 6.3780 6.6552 6.6552 6.8803 6.8803 7.1943 7.1943 7.6245 7.6245 8.1454 8.1454 8.4904 8.4904 8.6086 8.6086 9.3047 9.3047 9.7249 9.7249 10.9171 10.9171 11.2315 11.2315 11.5576 11.5576 11.6216 11.6216 11.7002 11.7002 11.9419 11.9419 12.2904 12.2904 k = 0.0000 0.0000 0.1685 ( 9925 PWs) bands (ev): -59.8706 -59.8706 -59.8547 -59.8547 -31.9720 -31.9720 -31.9271 -31.9271 -31.0389 -31.0389 -30.9612 -30.9612 -30.9436 -30.9436 -30.9399 -30.9399 -1.7602 -1.7602 2.3287 2.3287 2.9989 2.9989 3.4091 3.4091 6.3713 6.3713 6.7088 6.7088 6.8757 6.8757 7.1486 7.1486 7.5864 7.5864 8.1561 8.1561 8.6124 8.6124 8.6935 8.6935 9.2833 9.2833 9.7043 9.7043 10.9246 10.9246 11.3068 11.3068 11.5506 11.5506 11.6233 11.6233 11.6813 11.6813 11.9723 11.9723 12.3161 12.3161 k = 0.0000 0.0000 0.1854 ( 9921 PWs) bands (ev): -59.8709 -59.8709 -59.8541 -59.8541 -31.9719 -31.9719 -31.9271 -31.9271 -31.0387 -31.0387 -30.9613 -30.9613 -30.9435 -30.9435 -30.9399 -30.9399 -1.7307 -1.7307 2.2835 2.2835 2.9277 2.9277 3.4098 3.4098 6.3668 6.3668 6.7705 6.7705 6.8671 6.8671 7.1121 7.1121 7.5469 7.5469 8.1649 8.1649 8.7334 8.7334 8.7799 8.7799 9.2599 9.2599 9.6792 9.6792 10.9311 10.9311 11.3876 11.3876 11.5396 11.5396 11.6259 11.6259 11.6617 11.6617 12.0072 12.0072 12.3432 12.3432 k = 0.0000 0.0000 0.2022 ( 9921 PWs) bands (ev): -59.8708 -59.8708 -59.8541 -59.8541 -31.9719 -31.9719 -31.9272 -31.9272 -31.0387 -31.0387 -30.9613 -30.9613 -30.9435 -30.9435 -30.9399 -30.9399 -1.6984 -1.6984 2.2331 2.2331 2.8558 2.8558 3.4104 3.4104 6.3667 6.3667 6.8249 6.8249 6.8639 6.8639 7.0878 7.0878 7.5072 7.5072 8.1721 8.1721 8.8419 8.8419 8.8753 8.8753 9.2371 9.2371 9.6507 9.6507 10.9343 10.9343 11.4694 11.4694 11.5292 11.5292 11.6318 11.6318 11.6437 11.6437 12.0403 12.0403 12.3728 12.3728 k = 0.0000 0.0000 0.2191 ( 9913 PWs) bands (ev): -59.8708 -59.8708 -59.8534 -59.8534 -31.9718 -31.9718 -31.9272 -31.9272 -31.0386 -31.0386 -30.9613 -30.9613 -30.9433 -30.9433 -30.9400 -30.9400 -1.6635 -1.6635 2.1768 2.1768 2.7846 2.7846 3.4111 3.4111 6.3717 6.3717 6.8149 6.8149 6.9182 6.9182 7.0783 7.0783 7.4692 7.4692 8.1791 8.1791 8.9275 8.9275 8.9858 8.9858 9.2156 9.2156 9.6175 9.6175 10.9378 10.9378 11.5111 11.5111 11.5505 11.5505 11.6255 11.6255 11.6532 11.6532 12.0750 12.0750 12.4053 12.4053 k = 0.0000 0.0000 0.2359 ( 9925 PWs) bands (ev): -59.8705 -59.8705 -59.8547 -59.8547 -31.9719 -31.9719 -31.9271 -31.9271 -31.0388 -31.0388 -30.9613 -30.9613 -30.9436 -30.9436 -30.9399 -30.9399 -1.6259 -1.6259 2.1142 2.1142 2.7156 2.7156 3.4117 3.4117 6.3821 6.3821 6.7835 6.7835 6.9800 6.9800 7.0872 7.0872 7.4350 7.4350 8.1852 8.1852 8.9975 8.9975 9.0956 9.0956 9.2015 9.2015 9.5808 9.5808 10.9367 10.9367 11.5020 11.5020 11.5883 11.5883 11.6093 11.6093 11.7078 11.7078 12.1064 12.1064 12.4392 12.4392 k = 0.0000 0.0000 0.2528 ( 9911 PWs) bands (ev): -59.8701 -59.8701 -59.8541 -59.8541 -31.9718 -31.9718 -31.9271 -31.9271 -31.0387 -31.0387 -30.9612 -30.9612 -30.9434 -30.9434 -30.9399 -30.9399 -1.5857 -1.5857 2.0450 2.0450 2.6501 2.6501 3.4124 3.4124 6.3980 6.3980 6.7469 6.7469 7.0220 7.0220 7.1206 7.1206 7.4104 7.4104 8.1919 8.1919 9.0426 9.0426 9.1964 9.1964 9.2124 9.2124 9.5401 9.5401 10.9378 10.9378 11.4901 11.4901 11.5957 11.5957 11.6029 11.6029 11.7938 11.7938 12.1399 12.1399 12.4793 12.4793 k = 0.0000 0.0000 0.2696 ( 9899 PWs) bands (ev): -59.8701 -59.8701 -59.8532 -59.8532 -31.9717 -31.9717 -31.9271 -31.9271 -31.0385 -31.0385 -30.9612 -30.9612 -30.9432 -30.9432 -30.9399 -30.9399 -1.5430 -1.5430 1.9692 1.9692 2.5890 2.5890 3.4131 3.4131 6.4188 6.4188 6.7083 6.7083 7.0448 7.0448 7.1625 7.1625 7.4069 7.4069 8.1990 8.1990 9.0488 9.0488 9.2493 9.2493 9.2968 9.2968 9.4971 9.4971 10.9398 10.9398 11.4754 11.4754 11.5867 11.5867 11.6077 11.6077 11.8898 11.8898 12.1726 12.1726 12.5211 12.5211 k = 0.0000 0.0000 0.2865 ( 9899 PWs) bands (ev): -59.8704 -59.8704 -59.8529 -59.8529 -31.9716 -31.9716 -31.9271 -31.9271 -31.0384 -31.0384 -30.9613 -30.9613 -30.9432 -30.9432 -30.9399 -30.9399 -1.4978 -1.4978 1.8871 1.8871 2.5328 2.5328 3.4138 3.4138 6.4441 6.4441 6.6698 6.6698 7.0611 7.0611 7.1825 7.1825 7.4399 7.4399 8.2056 8.2056 9.0303 9.0303 9.3104 9.3104 9.3764 9.3764 9.4584 9.4584 10.9401 10.9401 11.4611 11.4611 11.5783 11.5783 11.6084 11.6084 11.9876 11.9876 12.2016 12.2016 12.5659 12.5659 k = 0.0000 0.0000 0.3033 ( 9895 PWs) bands (ev): -59.8698 -59.8698 -59.8532 -59.8532 -31.9717 -31.9717 -31.9271 -31.9271 -31.0384 -31.0384 -30.9612 -30.9612 -30.9432 -30.9432 -30.9398 -30.9398 -1.4501 -1.4501 1.7996 1.7996 2.4815 2.4815 3.4144 3.4144 6.4725 6.4725 6.6333 6.6333 7.0750 7.0750 7.1773 7.1773 7.5073 7.5073 8.2119 8.2119 9.0021 9.0021 9.3489 9.3489 9.4126 9.4126 9.4799 9.4799 10.9398 10.9398 11.4479 11.4479 11.5711 11.5711 11.6113 11.6113 12.0842 12.0842 12.2278 12.2278 12.6129 12.6129 k = 0.0000 0.0000 0.3202 ( 9899 PWs) bands (ev): -59.8695 -59.8695 -59.8538 -59.8538 -31.9717 -31.9717 -31.9270 -31.9270 -31.0385 -31.0385 -30.9611 -30.9611 -30.9433 -30.9433 -30.9398 -30.9398 -1.4002 -1.4002 1.7074 1.7074 2.4349 2.4349 3.4150 3.4150 6.5003 6.5003 6.6029 6.6029 7.0842 7.0842 7.1636 7.1636 7.5931 7.5931 8.2183 8.2183 8.9693 8.9693 9.3124 9.3124 9.4707 9.4707 9.5433 9.5433 10.9383 10.9383 11.4333 11.4333 11.5640 11.5640 11.6128 11.6128 12.1781 12.1781 12.2513 12.2513 12.6631 12.6631 k = 0.0000 0.0000 0.3370 ( 9887 PWs) bands (ev): -59.8692 -59.8692 -59.8532 -59.8532 -31.9716 -31.9716 -31.9270 -31.9270 -31.0384 -31.0384 -30.9612 -30.9612 -30.9432 -30.9432 -30.9397 -30.9397 -1.3480 -1.3480 1.6118 1.6118 2.3927 2.3927 3.4156 3.4156 6.5133 6.5133 6.5926 6.5926 7.0819 7.0819 7.1579 7.1579 7.6870 7.6870 8.2251 8.2251 8.9334 8.9334 9.2569 9.2569 9.5407 9.5407 9.6028 9.6028 10.9386 10.9386 11.4193 11.4193 11.5600 11.5600 11.6146 11.6146 12.2593 12.2593 12.2843 12.2843 12.7175 12.7175 k = 0.0000 0.0000 0.3539 ( 9881 PWs) bands (ev): -59.8690 -59.8690 -59.8529 -59.8529 -31.9716 -31.9716 -31.9270 -31.9270 -31.0383 -31.0383 -30.9611 -30.9611 -30.9431 -30.9431 -30.9397 -30.9397 -1.2938 -1.2938 1.5135 1.5135 2.3545 2.3545 3.4162 3.4162 6.4977 6.4977 6.6161 6.6161 7.0660 7.0660 7.1662 7.1662 7.7834 7.7834 8.2318 8.2318 8.8957 8.8957 9.1975 9.1975 9.6104 9.6104 9.6550 9.6550 10.9386 10.9386 11.4033 11.4033 11.5549 11.5549 11.6170 11.6170 12.2801 12.2801 12.3700 12.3700 12.7745 12.7745 k = 0.0000 0.0000 0.3707 ( 9863 PWs) bands (ev): -59.8683 -59.8683 -59.8523 -59.8523 -31.9715 -31.9715 -31.9269 -31.9269 -31.0383 -31.0383 -30.9610 -30.9610 -30.9428 -30.9428 -30.9396 -30.9396 -1.2376 -1.2376 1.4138 1.4138 2.3200 2.3200 3.4167 3.4167 6.4707 6.4707 6.6553 6.6553 7.0447 7.0447 7.1827 7.1827 7.8785 7.8785 8.2385 8.2385 8.8563 8.8563 9.1392 9.1392 9.6787 9.6787 9.7013 9.7013 10.9404 10.9404 11.3889 11.3889 11.5498 11.5498 11.6180 11.6180 12.2918 12.2918 12.4579 12.4579 12.8352 12.8352 k = 0.0000 0.0000 0.3876 ( 9873 PWs) bands (ev): -59.8691 -59.8691 -59.8523 -59.8523 -31.9715 -31.9715 -31.9270 -31.9270 -31.0383 -31.0383 -30.9611 -30.9611 -30.9428 -30.9428 -30.9398 -30.9398 -1.1797 -1.1797 1.3134 1.3134 2.2887 2.2887 3.4172 3.4172 6.4424 6.4424 6.6987 6.6987 7.0243 7.0243 7.2023 7.2023 7.9683 7.9683 8.2464 8.2464 8.8141 8.8141 9.0847 9.0847 9.7365 9.7365 9.7442 9.7442 10.9401 10.9401 11.3721 11.3721 11.5427 11.5427 11.6181 11.6181 12.2960 12.2960 12.5404 12.5404 12.8964 12.8965 k = 0.0000 0.0000 0.4044 ( 9873 PWs) bands (ev): -59.8691 -59.8691 -59.8523 -59.8523 -31.9714 -31.9714 -31.9270 -31.9270 -31.0383 -31.0383 -30.9612 -30.9612 -30.9428 -30.9428 -30.9398 -30.9398 -1.1204 -1.1204 1.2134 1.2134 2.2605 2.2605 3.4176 3.4176 6.4152 6.4152 6.7418 6.7418 7.0092 7.0092 7.2236 7.2236 8.0477 8.0477 8.2564 8.2564 8.7700 8.7700 9.0388 9.0388 9.7693 9.7693 9.8046 9.8046 10.9398 10.9398 11.3572 11.3572 11.5340 11.5340 11.6184 11.6184 12.2970 12.2970 12.6177 12.6177 12.9596 12.9596 k = 0.0000 0.0000 0.4213 ( 9876 PWs) bands (ev): -59.8697 -59.8697 -59.8519 -59.8519 -31.9714 -31.9714 -31.9271 -31.9271 -31.0382 -31.0382 -30.9613 -30.9613 -30.9427 -30.9427 -30.9398 -30.9398 -1.0599 -1.0599 1.1143 1.1143 2.2351 2.2351 3.4180 3.4180 6.3897 6.3897 6.7793 6.7793 7.0046 7.0046 7.2454 7.2454 8.1097 8.1097 8.2702 8.2702 8.7240 8.7240 9.0058 9.0058 9.7952 9.7952 9.8627 9.8627 10.9399 10.9399 11.3409 11.3409 11.5227 11.5227 11.6186 11.6186 12.2939 12.2939 12.6900 12.6900 12.9202 12.9202 k = 0.0000 0.0000 0.4381 ( 9868 PWs) bands (ev): -59.8691 -59.8691 -59.8519 -59.8519 -31.9714 -31.9714 -31.9270 -31.9270 -31.0382 -31.0382 -30.9613 -30.9613 -30.9426 -30.9426 -30.9397 -30.9397 -0.9987 -0.9987 1.0173 1.0173 2.2124 2.2124 3.4184 3.4184 6.3663 6.3663 6.8049 6.8049 7.0167 7.0167 7.2675 7.2675 8.1480 8.1480 8.2883 8.2883 8.6784 8.6784 8.9906 8.9906 9.8179 9.8179 9.9159 9.9159 10.9397 10.9397 11.3283 11.3283 11.5092 11.5092 11.6201 11.6201 12.2906 12.2906 12.7551 12.7551 12.8715 12.8715 k = 0.0000 0.0000 0.4550 ( 9858 PWs) bands (ev): -59.8683 -59.8683 -59.8519 -59.8519 -31.9714 -31.9714 -31.9269 -31.9269 -31.0382 -31.0382 -30.9611 -30.9611 -30.9426 -30.9426 -30.9396 -30.9396 -0.9374 -0.9374 0.9232 0.9232 2.1922 2.1922 3.4187 3.4187 6.3451 6.3451 6.8155 6.8155 7.0483 7.0483 7.2893 7.2893 8.1630 8.1630 8.3043 8.3043 8.6362 8.6362 8.9958 8.9958 9.8366 9.8366 9.9647 9.9647 10.9387 10.9387 11.3155 11.3155 11.4931 11.4931 11.6208 11.6208 12.2869 12.2869 12.8125 12.8125 12.8210 12.8210 k = 0.0000 0.0000 0.4718 ( 9864 PWs) bands (ev): -59.8685 -59.8685 -59.8522 -59.8522 -31.9714 -31.9714 -31.9270 -31.9270 -31.0382 -31.0382 -30.9612 -30.9612 -30.9427 -30.9427 -30.9396 -30.9396 -0.8767 -0.8767 0.8330 0.8330 2.1746 2.1746 3.4190 3.4190 6.3263 6.3263 6.8145 6.8145 7.0952 7.0952 7.3102 7.3102 8.1586 8.1586 8.3098 8.3098 8.6001 8.6001 9.0202 9.0202 9.8513 9.8513 10.0086 10.0086 10.9374 10.9374 11.3013 11.3013 11.4736 11.4736 11.6226 11.6226 12.2800 12.2800 12.7667 12.7667 12.8635 12.8635 k = 0.0000 0.0000 0.4887 ( 9852 PWs) bands (ev): -59.8679 -59.8679 -59.8519 -59.8519 -31.9713 -31.9713 -31.9269 -31.9269 -31.0382 -31.0382 -30.9611 -30.9611 -30.9426 -30.9426 -30.9395 -30.9395 -0.8176 -0.8176 0.7479 0.7479 2.1594 2.1594 3.4193 3.4193 6.3100 6.3100 6.8081 6.8081 7.1512 7.1512 7.3300 7.3300 8.1380 8.1380 8.3063 8.3063 8.5719 8.5719 9.0609 9.0609 9.8629 9.8629 10.0474 10.0474 10.9381 10.9381 11.2882 11.2882 11.4530 11.4530 11.6247 11.6247 12.2753 12.2753 12.7166 12.7166 12.9086 12.9086 k = 0.0000 0.0000 0.5056 ( 9844 PWs) bands (ev): -59.8682 -59.8682 -59.8509 -59.8509 -31.9712 -31.9712 -31.9269 -31.9269 -31.0380 -31.0380 -30.9612 -30.9612 -30.9425 -30.9425 -30.9395 -30.9395 -0.7614 -0.7614 0.6694 0.6694 2.1467 2.1467 3.4195 3.4195 6.2961 6.2961 6.8000 6.8000 7.2113 7.2113 7.3481 7.3481 8.1022 8.1022 8.2994 8.2994 8.5501 8.5501 9.1106 9.1106 9.8702 9.8702 10.0822 10.0822 10.9393 10.9393 11.2743 11.2743 11.4313 11.4313 11.6250 11.6250 12.2688 12.2688 12.6707 12.6707 12.9495 12.9495 k = 0.0000 0.0000 0.5224 ( 9842 PWs) bands (ev): -59.8678 -59.8678 -59.8512 -59.8512 -31.9712 -31.9712 -31.9269 -31.9269 -31.0380 -31.0380 -30.9611 -30.9611 -30.9426 -30.9426 -30.9395 -30.9395 -0.7099 -0.7099 0.5995 0.5995 2.1362 2.1362 3.4196 3.4196 6.2847 6.2847 6.7919 6.7919 7.2720 7.2720 7.3645 7.3645 8.0560 8.0560 8.2931 8.2931 8.5332 8.5332 9.1622 9.1622 9.8762 9.8762 10.1091 10.1091 10.9372 10.9372 11.2608 11.2608 11.4111 11.4111 11.6264 11.6264 12.2649 12.2649 12.6312 12.6312 12.9789 12.9789 k = 0.0000 0.0000 0.5393 ( 9848 PWs) bands (ev): -59.8679 -59.8679 -59.8515 -59.8515 -31.9713 -31.9713 -31.9269 -31.9269 -31.0380 -31.0380 -30.9611 -30.9611 -30.9426 -30.9426 -30.9395 -30.9395 -0.6655 -0.6655 0.5406 0.5406 2.1281 2.1281 3.4198 3.4198 6.2758 6.2758 6.7849 6.7849 7.3281 7.3281 7.3798 7.3798 8.0050 8.0050 8.2875 8.2875 8.5203 8.5203 9.2094 9.2094 9.8795 9.8795 10.1305 10.1305 10.9367 10.9367 11.2484 11.2484 11.3927 11.3927 11.6265 11.6265 12.2611 12.2611 12.5990 12.5990 13.0021 13.0021 k = 0.0000 0.0000 0.5561 ( 9852 PWs) bands (ev): -59.8682 -59.8682 -59.8515 -59.8515 -31.9712 -31.9712 -31.9269 -31.9269 -31.0380 -31.0380 -30.9612 -30.9612 -30.9426 -30.9426 -30.9395 -30.9395 -0.6307 -0.6307 0.4954 0.4954 2.1224 2.1224 3.4199 3.4199 6.2694 6.2694 6.7797 6.7797 7.3681 7.3681 7.4004 7.4004 7.9572 7.9572 8.2841 8.2841 8.5110 8.5110 9.2472 9.2472 9.8821 9.8821 10.1464 10.1464 10.9360 10.9360 11.2382 11.2382 11.3786 11.3786 11.6252 11.6252 12.2569 12.2569 12.5757 12.5757 13.0191 13.0191 k = 0.0000 0.0000 0.5730 ( 9880 PWs) bands (ev): -59.8695 -59.8695 -59.8524 -59.8524 -31.9714 -31.9714 -31.9271 -31.9271 -31.0381 -31.0381 -30.9614 -30.9614 -30.9429 -30.9429 -30.9398 -30.9398 -0.6083 -0.6083 0.4667 0.4667 2.1189 2.1189 3.4199 3.4199 6.2656 6.2656 6.7763 6.7763 7.3824 7.3824 7.4284 7.4284 7.9218 7.9218 8.2816 8.2816 8.5055 8.5055 9.2715 9.2715 9.8818 9.8818 10.1542 10.1542 10.9340 10.9340 11.2277 11.2277 11.3677 11.3677 11.6233 11.6233 12.2544 12.2544 12.5614 12.5614 13.0253 13.0253 k = 0.0000 0.0000 0.5898 ( 9868 PWs) bands (ev): -59.8692 -59.8692 -59.8518 -59.8518 -31.9713 -31.9713 -31.9271 -31.9271 -31.0380 -31.0380 -30.9613 -30.9613 -30.9427 -30.9427 -30.9398 -30.9398 -0.6006 -0.6006 0.4569 0.4569 2.1178 2.1178 3.4199 3.4199 6.2643 6.2643 6.7752 6.7752 7.3859 7.3859 7.4407 7.4407 7.9087 7.9087 8.2817 8.2817 8.5036 8.5036 9.2802 9.2802 9.8823 9.8823 10.1583 10.1583 10.9351 10.9351 11.2255 11.2255 11.3649 11.3649 11.6238 11.6238 12.2552 12.2552 12.5573 12.5573 13.0293 13.0293 k = 0.0000 0.0000 0.5898 ( 9868 PWs) bands (ev): -59.8692 -59.8692 -59.8518 -59.8518 -31.9713 -31.9713 -31.9271 -31.9271 -31.0380 -31.0380 -30.9613 -30.9613 -30.9427 -30.9427 -30.9398 -30.9398 -0.6006 -0.6006 0.4569 0.4569 2.1178 2.1178 3.4199 3.4199 6.2643 6.2643 6.7752 6.7752 7.3859 7.3859 7.4407 7.4407 7.9087 7.9087 8.2817 8.2817 8.5036 8.5036 9.2802 9.2802 9.8823 9.8823 10.1583 10.1583 10.9351 10.9351 11.2255 11.2255 11.3649 11.3649 11.6238 11.6238 12.2552 12.2552 12.5573 12.5573 13.0293 13.0293 k =-0.0143 0.0089 0.5898 ( 9872 PWs) bands (ev): -59.8695 -59.8695 -59.8518 -59.8518 -31.9713 -31.9713 -31.9271 -31.9271 -31.0380 -31.0380 -30.9614 -30.9614 -30.9427 -30.9427 -30.9397 -30.9397 -0.5992 -0.5992 0.4580 0.4580 2.1155 2.1155 3.4197 3.4197 6.2493 6.2493 6.7868 6.7868 7.2828 7.2828 7.5523 7.5523 7.8844 7.8844 8.2808 8.2808 8.5249 8.5249 9.2820 9.2820 9.8836 9.8836 10.1584 10.1584 10.9348 10.9348 11.2274 11.2274 11.3663 11.3663 11.6242 11.6242 12.2495 12.2495 12.5502 12.5502 13.0289 13.0289 k =-0.0286 0.0179 0.5898 ( 9860 PWs) bands (ev): -59.8692 -59.8692 -59.8512 -59.8512 -31.9712 -31.9712 -31.9271 -31.9271 -31.0379 -31.0379 -30.9614 -30.9614 -30.9426 -30.9426 -30.9397 -30.9397 -0.5950 -0.5950 0.4614 0.4614 2.1087 2.1087 3.4190 3.4190 6.2090 6.2090 6.8123 6.8123 7.1741 7.1741 7.6880 7.6880 7.8262 7.8262 8.2791 8.2791 8.5804 8.5804 9.2876 9.2876 9.8844 9.8844 10.1632 10.1632 10.9305 10.9305 11.2344 11.2344 11.3730 11.3730 11.6245 11.6245 12.2378 12.2378 12.5320 12.5320 13.0283 13.0283 k =-0.0429 0.0268 0.5898 ( 9868 PWs) bands (ev): -59.8698 -59.8698 -59.8512 -59.8512 -31.9712 -31.9712 -31.9272 -31.9272 -31.0379 -31.0379 -30.9615 -30.9615 -30.9426 -30.9426 -30.9398 -30.9398 -0.5881 -0.5881 0.4671 0.4671 2.0976 2.0976 3.4172 3.4172 6.1520 6.1520 6.8239 6.8239 7.1030 7.1030 7.7149 7.7149 7.8549 7.8549 8.2769 8.2769 8.6552 8.6552 9.2967 9.2967 9.8857 9.8857 10.1677 10.1677 10.9225 10.9225 11.2443 11.2443 11.3835 11.3835 11.6200 11.6200 12.2120 12.2120 12.5076 12.5076 13.0263 13.0263 k =-0.0571 0.0358 0.5898 ( 9864 PWs) bands (ev): -59.8695 -59.8695 -59.8512 -59.8512 -31.9712 -31.9712 -31.9271 -31.9271 -31.0379 -31.0379 -30.9614 -30.9614 -30.9426 -30.9426 -30.9398 -30.9398 -0.5783 -0.5783 0.4751 0.4751 2.0826 2.0826 3.4139 3.4139 6.0856 6.0856 6.7860 6.7860 7.1000 7.1000 7.6178 7.6178 7.9925 7.9925 8.2776 8.2776 8.7392 8.7392 9.3094 9.3094 9.8869 9.8869 10.1739 10.1739 10.9128 10.9128 11.2588 11.2588 11.3999 11.3999 11.6165 11.6165 12.1726 12.1726 12.4857 12.4857 13.0249 13.0249 k =-0.0714 0.0447 0.5898 ( 9868 PWs) bands (ev): -59.8695 -59.8695 -59.8515 -59.8515 -31.9712 -31.9712 -31.9271 -31.9271 -31.0380 -31.0380 -30.9615 -30.9615 -30.9426 -30.9426 -30.9397 -30.9397 -0.5658 -0.5658 0.4852 0.4852 2.0639 2.0639 3.4080 3.4080 6.0143 6.0143 6.7106 6.7106 7.1492 7.1492 7.5071 7.5071 8.1175 8.1175 8.2962 8.2962 8.8256 8.8256 9.3256 9.3256 9.8892 9.8892 10.1825 10.1825 10.9004 10.9004 11.2756 11.2756 11.4202 11.4202 11.6133 11.6133 12.1147 12.1147 12.4706 12.4706 13.0214 13.0214 k =-0.0857 0.0536 0.5898 ( 9876 PWs) bands (ev): -59.8695 -59.8695 -59.8521 -59.8521 -31.9713 -31.9713 -31.9271 -31.9271 -31.0381 -31.0381 -30.9615 -30.9615 -30.9427 -30.9427 -30.9397 -30.9397 -0.5506 -0.5506 0.4976 0.4976 2.0420 2.0420 3.3987 3.3987 5.9407 5.9407 6.6270 6.6270 7.2166 7.2166 7.3944 7.3944 8.1799 8.1799 8.3772 8.3772 8.9112 8.9112 9.3464 9.3464 9.8922 9.8922 10.1911 10.1911 10.8877 10.8877 11.2924 11.2924 11.4442 11.4442 11.6109 11.6109 12.0434 12.0434 12.4664 12.4664 13.0156 13.0156 k =-0.1000 0.0626 0.5898 ( 9866 PWs) bands (ev): -59.8694 -59.8694 -59.8515 -59.8515 -31.9712 -31.9712 -31.9271 -31.9271 -31.0380 -31.0380 -30.9615 -30.9615 -30.9426 -30.9426 -30.9397 -30.9397 -0.5325 -0.5325 0.5121 0.5121 2.0175 2.0175 3.3848 3.3848 5.8666 5.8666 6.5475 6.5475 7.2354 7.2354 7.3367 7.3367 8.1879 8.1879 8.5121 8.5121 8.9951 8.9951 9.3716 9.3716 9.8954 9.8954 10.2029 10.2029 10.8764 10.8764 11.3101 11.3101 11.4735 11.4735 11.6063 11.6063 11.9625 11.9625 12.4710 12.4710 13.0133 13.0133 k =-0.1143 0.0715 0.5898 ( 9856 PWs) bands (ev): -59.8692 -59.8692 -59.8509 -59.8509 -31.9711 -31.9711 -31.9271 -31.9271 -31.0379 -31.0379 -30.9615 -30.9615 -30.9425 -30.9425 -30.9396 -30.9396 -0.5117 -0.5117 0.5286 0.5286 1.9907 1.9907 3.3653 3.3653 5.7928 5.7928 6.4770 6.4770 7.1293 7.1293 7.4059 7.4059 8.1802 8.1802 8.6604 8.6604 9.0758 9.0758 9.4009 9.4009 9.8986 9.8986 10.2169 10.2169 10.8655 10.8655 11.3279 11.3279 11.5060 11.5060 11.6021 11.6021 11.8759 11.8759 12.4819 12.4819 13.0104 13.0104 k =-0.1286 0.0804 0.5898 ( 9860 PWs) bands (ev): -59.8695 -59.8695 -59.8509 -59.8509 -31.9711 -31.9711 -31.9272 -31.9272 -31.0378 -31.0378 -30.9615 -30.9615 -30.9424 -30.9424 -30.9397 -30.9397 -0.4881 -0.4881 0.5472 0.5472 1.9622 1.9622 3.3392 3.3392 5.7200 5.7200 6.4175 6.4175 7.0068 7.0068 7.4918 7.4918 8.1669 8.1669 8.8100 8.8100 9.1523 9.1523 9.4336 9.4336 9.9015 9.9015 10.2320 10.2320 10.8554 10.8554 11.3448 11.3448 11.5370 11.5370 11.5952 11.5952 11.7902 11.7902 12.4993 12.4993 13.0065 13.0065 k =-0.1429 0.0894 0.5898 ( 9864 PWs) bands (ev): -59.8695 -59.8695 -59.8512 -59.8512 -31.9711 -31.9711 -31.9272 -31.9272 -31.0379 -31.0379 -30.9615 -30.9615 -30.9424 -30.9424 -30.9397 -30.9397 -0.4617 -0.4617 0.5678 0.5678 1.9322 1.9322 3.3058 3.3058 5.6486 5.6486 6.3704 6.3704 6.8819 6.8819 7.5799 7.5799 8.1511 8.1511 8.9562 8.9562 9.2258 9.2258 9.4702 9.4702 9.9058 9.9058 10.2474 10.2474 10.8482 10.8482 11.3618 11.3618 11.5510 11.5510 11.5884 11.5884 11.7244 11.7244 12.5228 12.5228 13.0007 13.0007 k =-0.1571 0.0983 0.5898 ( 9860 PWs) bands (ev): -59.8692 -59.8692 -59.8512 -59.8512 -31.9711 -31.9711 -31.9271 -31.9271 -31.0379 -31.0379 -30.9615 -30.9615 -30.9424 -30.9424 -30.9397 -30.9397 -0.4326 -0.4326 0.5903 0.5903 1.9013 1.9013 3.2647 3.2647 5.5789 5.5789 6.3364 6.3364 6.7569 6.7569 7.6675 7.6675 8.1340 8.1340 9.0943 9.0943 9.2993 9.2993 9.5109 9.5109 9.9103 9.9103 10.2653 10.2653 10.8435 10.8435 11.3773 11.3773 11.5132 11.5132 11.5817 11.5817 11.7156 11.7156 12.5526 12.5526 12.9985 12.9985 k =-0.1714 0.1073 0.5898 ( 9866 PWs) bands (ev): -59.8690 -59.8690 -59.8518 -59.8518 -31.9712 -31.9712 -31.9271 -31.9271 -31.0380 -31.0380 -30.9615 -30.9615 -30.9424 -30.9424 -30.9397 -30.9397 -0.4008 -0.4008 0.6145 0.6145 1.8698 1.8698 3.2154 3.2154 5.5112 5.5112 6.3152 6.3152 6.6320 6.6320 7.7521 7.7521 8.1177 8.1177 9.2173 9.2173 9.3758 9.3758 9.5540 9.5540 9.9164 9.9164 10.2845 10.2845 10.8403 10.8403 11.3838 11.3838 11.4453 11.4453 11.5736 11.5736 11.7515 11.7515 12.5889 12.5889 12.9933 12.9933 k =-0.1857 0.1162 0.5898 ( 9866 PWs) bands (ev): -59.8693 -59.8693 -59.8515 -59.8515 -31.9711 -31.9711 -31.9272 -31.9272 -31.0380 -31.0380 -30.9616 -30.9616 -30.9424 -30.9424 -30.9397 -30.9397 -0.3662 -0.3662 0.6404 0.6404 1.8381 1.8381 3.1582 3.1582 5.4458 5.4458 6.3063 6.3063 6.5094 6.5094 7.8312 7.8312 8.1052 8.1052 9.3163 9.3163 9.4643 9.4643 9.6005 9.6005 9.9214 9.9214 10.3063 10.3063 10.8400 10.8400 11.3288 11.3288 11.4286 11.4286 11.5642 11.5642 11.8041 11.8041 12.6319 12.6319 12.9903 12.9903 k =-0.2000 0.1251 0.5898 ( 9872 PWs) bands (ev): -59.8701 -59.8701 -59.8512 -59.8512 -31.9711 -31.9711 -31.9273 -31.9273 -31.0379 -31.0379 -30.9618 -30.9618 -30.9423 -30.9423 -30.9398 -30.9398 -0.3289 -0.3289 0.6679 0.6679 1.8064 1.8064 3.0933 3.0933 5.3826 5.3826 6.3036 6.3036 6.3947 6.3947 7.8986 7.8986 8.1017 8.1017 9.3912 9.3912 9.5608 9.5608 9.6497 9.6497 9.9261 9.9261 10.3300 10.3300 10.8434 10.8434 11.2438 11.2438 11.4409 11.4409 11.5541 11.5541 11.8643 11.8643 12.6801 12.6801 12.9869 12.9869 k =-0.2143 0.1341 0.5898 ( 9860 PWs) bands (ev): -59.8691 -59.8691 -59.8512 -59.8512 -31.9711 -31.9711 -31.9272 -31.9272 -31.0379 -31.0379 -30.9616 -30.9616 -30.9423 -30.9423 -30.9397 -30.9397 -0.2889 -0.2889 0.6968 0.6968 1.7750 1.7750 3.0213 3.0213 5.3219 5.3219 6.2468 6.2468 6.3481 6.3481 7.9423 7.9423 8.1187 8.1187 9.4522 9.4522 9.6501 9.6501 9.7057 9.7057 9.9347 9.9347 10.3553 10.3553 10.8501 10.8501 11.1620 11.1620 11.4579 11.4579 11.5466 11.5466 11.9293 11.9293 12.7401 12.7401 12.9836 12.9836 k =-0.2286 0.1430 0.5898 ( 9864 PWs) bands (ev): -59.8691 -59.8691 -59.8515 -59.8515 -31.9711 -31.9711 -31.9272 -31.9272 -31.0379 -31.0379 -30.9616 -30.9616 -30.9424 -30.9424 -30.9397 -30.9397 -0.2461 -0.2461 0.7270 0.7270 1.7441 1.7441 2.9428 2.9428 5.2637 5.2637 6.1350 6.1350 6.3700 6.3700 7.9555 7.9555 8.1623 8.1623 9.5049 9.5049 9.7152 9.7152 9.7732 9.7732 9.9411 9.9411 10.3819 10.3819 10.8601 10.8601 11.0876 11.0876 11.4752 11.4752 11.5375 11.5375 11.9971 11.9971 12.8059 12.8059 12.9813 12.9813 k =-0.2429 0.1520 0.5898 ( 9868 PWs) bands (ev): -59.8691 -59.8691 -59.8518 -59.8518 -31.9711 -31.9711 -31.9272 -31.9272 -31.0379 -31.0379 -30.9616 -30.9616 -30.9424 -30.9424 -30.9397 -30.9397 -0.2007 -0.2007 0.7582 0.7582 1.7140 1.7140 2.8587 2.8587 5.2081 5.2081 6.0201 6.0201 6.4078 6.4078 7.9492 7.9492 8.2215 8.2215 9.5523 9.5523 9.7659 9.7659 9.8367 9.8367 9.9488 9.9488 10.4091 10.4091 10.8754 10.8754 11.0259 11.0259 11.4918 11.4918 11.5286 11.5286 12.0671 12.0671 12.8766 12.8766 12.9826 12.9826 k =-0.2571 0.1609 0.5898 ( 9870 PWs) bands (ev): -59.8689 -59.8689 -59.8521 -59.8521 -31.9712 -31.9712 -31.9272 -31.9272 -31.0380 -31.0380 -30.9616 -30.9616 -30.9424 -30.9424 -30.9397 -30.9397 -0.1526 -0.1526 0.7904 0.7904 1.6847 1.6847 2.7697 2.7697 5.1553 5.1553 5.9071 5.9071 6.4560 6.4560 7.9351 7.9351 8.2845 8.2845 9.5933 9.5933 9.8099 9.8099 9.8818 9.8818 9.9608 9.9608 10.4381 10.4381 10.8934 10.8934 10.9811 10.9811 11.4985 11.4985 11.5329 11.5329 12.1384 12.1384 12.9331 12.9331 13.0073 13.0073 k =-0.2714 0.1698 0.5898 ( 9866 PWs) bands (ev): -59.8686 -59.8686 -59.8521 -59.8521 -31.9711 -31.9711 -31.9271 -31.9271 -31.0380 -31.0380 -30.9616 -30.9616 -30.9423 -30.9423 -30.9396 -30.9396 -0.1019 -0.1019 0.8233 0.8233 1.6564 1.6564 2.6767 2.6767 5.1052 5.1052 5.7968 5.7968 6.5131 6.5131 7.9179 7.9179 8.3466 8.3466 9.6251 9.6251 9.8472 9.8472 9.9080 9.9080 9.9772 9.9772 10.4689 10.4689 10.9124 10.9124 10.9588 10.9588 11.4932 11.4932 11.5539 11.5539 12.2100 12.2100 12.9471 12.9471 13.0831 13.0831 k =-0.2857 0.1788 0.5898 ( 9854 PWs) bands (ev): -59.8676 -59.8676 -59.8521 -59.8521 -31.9711 -31.9711 -31.9270 -31.9270 -31.0380 -31.0380 -30.9614 -30.9614 -30.9423 -30.9423 -30.9395 -30.9395 -0.0485 -0.0485 0.8567 0.8567 1.6294 1.6294 2.5804 2.5804 5.0579 5.0579 5.6900 5.6900 6.5777 6.5777 7.8996 7.8996 8.4053 8.4053 9.6431 9.6431 9.8755 9.8755 9.9293 9.9293 9.9941 9.9941 10.5005 10.5005 10.9250 10.9250 10.9649 10.9649 11.4843 11.4843 11.5828 11.5828 12.2820 12.2820 12.9458 12.9458 13.1275 13.1275 k =-0.3000 0.1877 0.5898 ( 9842 PWs) bands (ev): -59.8670 -59.8670 -59.8518 -59.8518 -31.9711 -31.9711 -31.9269 -31.9269 -31.0379 -31.0379 -30.9613 -30.9613 -30.9423 -30.9423 -30.9394 -30.9394 0.0076 0.0076 0.8903 0.8903 1.6036 1.6036 2.4817 2.4817 5.0135 5.0135 5.5872 5.5872 6.6490 6.6490 7.8811 7.8811 8.4600 8.4600 9.6393 9.6393 9.8895 9.8895 9.9574 9.9574 10.0137 10.0137 10.5328 10.5328 10.9367 10.9367 10.9897 10.9897 11.4731 11.4731 11.6149 11.6149 12.3530 12.3530 12.9453 12.9453 13.0605 13.0605 k =-0.3143 0.1966 0.5898 ( 9854 PWs) bands (ev): -59.8673 -59.8673 -59.8524 -59.8524 -31.9711 -31.9711 -31.9270 -31.9270 -31.0380 -31.0380 -30.9614 -30.9614 -30.9423 -30.9423 -30.9394 -30.9394 0.0661 0.0661 0.9239 0.9239 1.5793 1.5793 2.3810 2.3810 4.9719 4.9719 5.4887 5.4887 6.7259 6.7259 7.8627 7.8627 8.5098 8.5098 9.6092 9.6092 9.8998 9.8998 9.9836 9.9836 10.0424 10.0424 10.5644 10.5644 10.9533 10.9533 11.0193 11.0193 11.4577 11.4577 11.6506 11.6506 12.4223 12.4223 12.9351 12.9351 12.9956 12.9956 k =-0.3286 0.2056 0.5898 ( 9850 PWs) bands (ev): -59.8673 -59.8673 -59.8521 -59.8521 -31.9711 -31.9711 -31.9270 -31.9270 -31.0379 -31.0379 -30.9615 -30.9615 -30.9422 -30.9422 -30.9394 -30.9394 0.1273 0.1273 0.9570 0.9570 1.5564 1.5564 2.2791 2.2791 4.9333 4.9333 5.3949 5.3949 6.8079 6.8079 7.8453 7.8453 8.5549 8.5549 9.5554 9.5554 9.9110 9.9110 10.0033 10.0033 10.0838 10.0838 10.5983 10.5983 10.9746 10.9746 11.0518 11.0518 11.4432 11.4432 11.6938 11.6938 12.4897 12.4897 12.9244 12.9244 12.9370 12.9370 k =-0.3429 0.2145 0.5898 ( 9844 PWs) bands (ev): -59.8671 -59.8671 -59.8518 -59.8518 -31.9710 -31.9710 -31.9270 -31.9270 -31.0379 -31.0379 -30.9614 -30.9614 -30.9421 -30.9421 -30.9394 -30.9394 0.1909 0.1909 0.9896 0.9896 1.5351 1.5351 2.1766 2.1766 4.8977 4.8977 5.3063 5.3063 6.8939 6.8939 7.8289 7.8289 8.5947 8.5947 9.4843 9.4843 9.9230 9.9230 10.0199 10.0199 10.1329 10.1329 10.6339 10.6339 10.9995 10.9995 11.0837 11.0837 11.4271 11.4271 11.7422 11.7422 12.5542 12.5542 12.8758 12.8758 12.9197 12.9197 k =-0.3571 0.2235 0.5898 ( 9848 PWs) bands (ev): -59.8674 -59.8674 -59.8518 -59.8518 -31.9710 -31.9710 -31.9270 -31.9270 -31.0379 -31.0379 -30.9615 -30.9615 -30.9421 -30.9421 -30.9394 -30.9394 0.2570 0.2570 1.0210 1.0210 1.5154 1.5154 2.0737 2.0737 4.8651 4.8651 5.2233 5.2233 6.9829 6.9829 7.8136 7.8136 8.6298 8.6298 9.4012 9.4012 9.9324 9.9324 10.0356 10.0356 10.1853 10.1853 10.6688 10.6688 11.0225 11.0225 11.1139 11.1139 11.4107 11.4107 11.7974 11.7974 12.6144 12.6144 12.8232 12.8232 12.9079 12.9079 k =-0.3714 0.2324 0.5898 ( 9848 PWs) bands (ev): -59.8671 -59.8671 -59.8521 -59.8521 -31.9710 -31.9710 -31.9270 -31.9270 -31.0379 -31.0379 -30.9614 -30.9614 -30.9421 -30.9421 -30.9394 -30.9394 0.3254 0.3254 1.0512 1.0512 1.4974 1.4974 1.9712 1.9712 4.8355 4.8355 5.1465 5.1465 7.0738 7.0738 7.8002 7.8002 8.6603 8.6603 9.3107 9.3107 9.9418 9.9418 10.0523 10.0523 10.2391 10.2391 10.7021 10.7021 11.0462 11.0462 11.1418 11.1418 11.3922 11.3922 11.8594 11.8594 12.6684 12.6684 12.7770 12.7770 12.8935 12.8935 k =-0.3857 0.2413 0.5898 ( 9844 PWs) bands (ev): -59.8668 -59.8668 -59.8521 -59.8521 -31.9710 -31.9710 -31.9270 -31.9270 -31.0379 -31.0379 -30.9614 -30.9614 -30.9421 -30.9421 -30.9394 -30.9394 0.3961 0.3961 1.0795 1.0795 1.4811 1.4811 1.8693 1.8693 4.8089 4.8089 5.0762 5.0762 7.1661 7.1661 7.7873 7.7873 8.6865 8.6865 9.2160 9.2160 9.9494 9.9494 10.0682 10.0682 10.2934 10.2934 10.7378 10.7378 11.0684 11.0684 11.1666 11.1666 11.3734 11.3734 11.9279 11.9279 12.6967 12.6967 12.7547 12.7547 12.8775 12.8775 k =-0.4000 0.2503 0.5898 ( 9842 PWs) bands (ev): -59.8662 -59.8662 -59.8525 -59.8525 -31.9711 -31.9711 -31.9269 -31.9269 -31.0380 -31.0380 -30.9613 -30.9613 -30.9422 -30.9422 -30.9393 -30.9393 0.4689 0.4689 1.1057 1.1057 1.4664 1.4664 1.7685 1.7685 4.7855 4.7855 5.0128 5.0128 7.2585 7.2585 7.7766 7.7766 8.7082 8.7082 9.1197 9.1197 9.9556 9.9556 10.0837 10.0837 10.3465 10.3465 10.7704 10.7704 11.0874 11.0874 11.1882 11.1882 11.3558 11.3558 12.0015 12.0015 12.6738 12.6738 12.7825 12.7825 12.8579 12.8579 k =-0.4143 0.2592 0.5898 ( 9846 PWs) bands (ev): -59.8662 -59.8662 -59.8528 -59.8528 -31.9711 -31.9711 -31.9269 -31.9269 -31.0380 -31.0380 -30.9612 -30.9612 -30.9422 -30.9422 -30.9394 -30.9394 0.5437 0.5437 1.1294 1.1294 1.4534 1.4534 1.6694 1.6694 4.7651 4.7651 4.9568 4.9568 7.3493 7.3493 7.7679 7.7679 8.7264 8.7264 9.0238 9.0238 9.9591 9.9591 10.0973 10.0973 10.3970 10.3970 10.8016 10.8016 11.1035 11.1035 11.2063 11.2063 11.3356 11.3356 12.0796 12.0796 12.6408 12.6408 12.8115 12.8115 12.8407 12.8407 k =-0.4286 0.2682 0.5898 ( 9850 PWs) bands (ev): -59.8665 -59.8665 -59.8528 -59.8528 -31.9711 -31.9711 -31.9269 -31.9269 -31.0380 -31.0380 -30.9613 -30.9613 -30.9422 -30.9422 -30.9394 -30.9394 0.6200 0.6200 1.1502 1.1502 1.4414 1.4414 1.5732 1.5732 4.7479 4.7479 4.9085 4.9085 7.4362 7.4362 7.7621 7.7621 8.7408 8.7408 8.9310 8.9310 9.9621 9.9621 10.1081 10.1081 10.4434 10.4434 10.8323 10.8323 11.1153 11.1153 11.2212 11.2212 11.3161 11.3161 12.1612 12.1612 12.6111 12.6111 12.7981 12.7981 12.8557 12.8557 k =-0.4429 0.2771 0.5898 ( 9862 PWs) bands (ev): -59.8668 -59.8668 -59.8534 -59.8534 -31.9712 -31.9712 -31.9270 -31.9270 -31.0380 -31.0380 -30.9614 -30.9614 -30.9424 -30.9424 -30.9395 -30.9395 0.6972 0.6972 1.1677 1.1677 1.4267 1.4267 1.4842 1.4842 4.7338 4.7338 4.8684 4.8684 7.5158 7.5158 7.7595 7.7595 8.7501 8.7501 8.8451 8.8451 9.9646 9.9646 10.1171 10.1171 10.4843 10.4843 10.8593 10.8593 11.1246 11.1246 11.2328 11.2328 11.2973 11.2973 12.2430 12.2430 12.5859 12.5859 12.7642 12.7642 12.8742 12.8742 k =-0.4571 0.2860 0.5898 ( 9858 PWs) bands (ev): -59.8668 -59.8668 -59.8531 -59.8531 -31.9711 -31.9711 -31.9270 -31.9270 -31.0380 -31.0380 -30.9614 -30.9614 -30.9423 -30.9423 -30.9395 -30.9395 0.7742 0.7742 1.1817 1.1817 1.3754 1.3754 1.4380 1.4380 4.7228 4.7228 4.8368 4.8368 7.5828 7.5828 7.7623 7.7623 8.7440 8.7440 8.7828 8.7828 9.9666 9.9666 10.1249 10.1249 10.5183 10.5183 10.8835 10.8835 11.1317 11.1317 11.2409 11.2409 11.2821 11.2821 12.3258 12.3258 12.5663 12.5663 12.7232 12.7232 12.8829 12.8829 k =-0.4714 0.2950 0.5898 ( 9858 PWs) bands (ev): -59.8668 -59.8668 -59.8530 -59.8530 -31.9711 -31.9711 -31.9270 -31.9270 -31.0380 -31.0380 -30.9614 -30.9614 -30.9423 -30.9423 -30.9395 -30.9395 0.8478 0.8478 1.1916 1.1916 1.2968 1.2968 1.4283 1.4283 4.7150 4.7150 4.8141 4.8141 7.6308 7.6308 7.7724 7.7724 8.6937 8.6937 8.7756 8.7756 9.9680 9.9680 10.1302 10.1302 10.5438 10.5438 10.9003 10.9003 11.1369 11.1369 11.2455 11.2455 11.2709 11.2709 12.4061 12.4061 12.5522 12.5522 12.6753 12.6753 12.8827 12.8827 k =-0.4857 0.3039 0.5898 ( 9858 PWs) bands (ev): -59.8668 -59.8668 -59.8531 -59.8531 -31.9711 -31.9711 -31.9270 -31.9270 -31.0380 -31.0380 -30.9614 -30.9614 -30.9423 -30.9423 -30.9395 -30.9395 0.9097 0.9097 1.1966 1.1966 1.2313 1.2313 1.4243 1.4243 4.7103 4.7103 4.8004 4.8004 7.6560 7.6560 7.7863 7.7863 8.6527 8.6527 8.7777 8.7777 9.9689 9.9689 10.1333 10.1333 10.5597 10.5597 10.9119 10.9119 11.1399 11.1399 11.2462 11.2462 11.2656 11.2656 12.4816 12.4816 12.5437 12.5437 12.6189 12.6189 12.8782 12.8782 k =-0.5000 0.3129 0.5898 ( 9852 PWs) bands (ev): -59.8665 -59.8665 -59.8529 -59.8529 -31.9711 -31.9711 -31.9270 -31.9270 -31.0379 -31.0379 -30.9613 -30.9613 -30.9423 -30.9423 -30.9395 -30.9395 0.9373 0.9373 1.1925 1.1925 1.2081 1.2081 1.4231 1.4231 4.7087 4.7087 4.7959 4.7959 7.6634 7.6634 7.7932 7.7932 8.6379 8.6379 8.7787 8.7787 9.9700 9.9700 10.1356 10.1356 10.5650 10.5650 10.9162 10.9162 11.1431 11.1431 11.2447 11.2447 11.2638 11.2638 12.5390 12.5390 12.5423 12.5423 12.5660 12.5660 12.8763 12.8763 k =-0.5000 0.3129 0.5898 ( 9852 PWs) bands (ev): -59.8665 -59.8665 -59.8529 -59.8529 -31.9711 -31.9711 -31.9270 -31.9270 -31.0379 -31.0379 -30.9613 -30.9613 -30.9423 -30.9423 -30.9395 -30.9395 0.9373 0.9373 1.1925 1.1925 1.2081 1.2081 1.4231 1.4231 4.7087 4.7087 4.7959 4.7959 7.6634 7.6634 7.7932 7.7932 8.6379 8.6379 8.7787 8.7787 9.9700 9.9700 10.1356 10.1356 10.5650 10.5650 10.9162 10.9162 11.1431 11.1431 11.2447 11.2447 11.2638 11.2638 12.5390 12.5390 12.5423 12.5423 12.5660 12.5660 12.8763 12.8763 k =-0.4898 0.3065 0.5778 ( 9854 PWs) bands (ev): -59.8670 -59.8670 -59.8526 -59.8526 -31.9711 -31.9711 -31.9270 -31.9270 -31.0379 -31.0379 -30.9614 -30.9614 -30.9422 -30.9422 -30.9395 -30.9395 0.9089 0.9089 1.1994 1.1994 1.2293 1.2293 1.4243 1.4243 4.7103 4.7103 4.8005 4.8005 7.6563 7.6563 7.7864 7.7864 8.6530 8.6530 8.7783 8.7783 9.9686 9.9686 10.1333 10.1333 10.5595 10.5595 10.9119 10.9119 11.1397 11.1397 11.2460 11.2460 11.2650 11.2650 12.4846 12.4846 12.5370 12.5370 12.6223 12.6223 12.8793 12.8793 k =-0.4796 0.3001 0.5657 ( 9862 PWs) bands (ev): -59.8670 -59.8670 -59.8532 -59.8532 -31.9711 -31.9711 -31.9270 -31.9270 -31.0380 -31.0380 -30.9614 -30.9614 -30.9424 -30.9424 -30.9395 -30.9395 0.8438 0.8438 1.2037 1.2037 1.2891 1.2891 1.4280 1.4280 4.7151 4.7151 4.8145 4.8145 7.6319 7.6319 7.7697 7.7697 8.6950 8.6950 8.7755 8.7755 9.9678 9.9678 10.1300 10.1300 10.5432 10.5432 10.8995 10.8995 11.1368 11.1368 11.2483 11.2483 11.2678 11.2678 12.4186 12.4186 12.5254 12.5254 12.6888 12.6888 12.8854 12.8854 k =-0.4694 0.2937 0.5537 ( 9856 PWs) bands (ev): -59.8668 -59.8668 -59.8529 -59.8529 -31.9711 -31.9711 -31.9270 -31.9270 -31.0380 -31.0380 -30.9614 -30.9614 -30.9423 -30.9423 -30.9395 -30.9395 0.7639 0.7639 1.2088 1.2088 1.3623 1.3623 1.4342 1.4342 4.7231 4.7231 4.8377 4.8377 7.5886 7.5886 7.7534 7.7534 8.7459 8.7459 8.7845 8.7845 9.9666 9.9666 10.1244 10.1244 10.5166 10.5166 10.8803 10.8803 11.1327 11.1327 11.2515 11.2515 11.2731 11.2731 12.3532 12.3532 12.5069 12.5069 12.7544 12.7544 12.8971 12.8971 k =-0.4592 0.2873 0.5417 ( 9872 PWs) bands (ev): -59.8671 -59.8671 -59.8539 -59.8539 -31.9713 -31.9713 -31.9270 -31.9270 -31.0381 -31.0381 -30.9614 -30.9614 -30.9424 -30.9424 -30.9395 -30.9395 0.6779 0.6779 1.2157 1.2157 1.4395 1.4395 1.4429 1.4429 4.7342 4.7342 4.8699 4.8699 7.5282 7.5282 7.7406 7.7406 8.7511 8.7511 8.8511 8.8511 9.9644 9.9644 10.1152 10.1152 10.4805 10.4805 10.8506 10.8506 11.1254 11.1254 11.2545 11.2545 11.2800 11.2800 12.2885 12.2885 12.4817 12.4817 12.8156 12.8156 12.9117 12.9117 k =-0.4490 0.2809 0.5296 ( 9872 PWs) bands (ev): -59.8671 -59.8671 -59.8539 -59.8539 -31.9713 -31.9713 -31.9270 -31.9270 -31.0381 -31.0381 -30.9614 -30.9614 -30.9425 -30.9425 -30.9395 -30.9395 0.5887 0.5887 1.2245 1.2245 1.4540 1.4540 1.5177 1.5177 4.7487 4.7487 4.9107 4.9107 7.4569 7.4569 7.7310 7.7310 8.7411 8.7411 8.9410 8.9410 9.9617 9.9617 10.1041 10.1041 10.4360 10.4360 10.8171 10.8171 11.1162 11.1162 11.2585 11.2585 11.2893 11.2893 12.2284 12.2284 12.4510 12.4510 12.8770 12.8770 12.9291 12.9291 k =-0.4388 0.2745 0.5176 ( 9856 PWs) bands (ev): -59.8662 -59.8662 -59.8536 -59.8536 -31.9712 -31.9712 -31.9269 -31.9269 -31.0381 -31.0381 -30.9613 -30.9613 -30.9424 -30.9424 -30.9393 -30.9393 0.4979 0.4979 1.2351 1.2351 1.4676 1.4676 1.5954 1.5954 4.7663 4.7663 4.9598 4.9598 7.3801 7.3801 7.7222 7.7222 8.7289 8.7289 9.0389 9.0389 9.9600 9.9600 10.0907 10.0907 10.3845 10.3845 10.7761 10.7761 11.1065 11.1065 11.2648 11.2648 11.3010 11.3010 12.1721 12.1721 12.4168 12.4168 12.9351 12.9351 12.9493 12.9493 k =-0.4286 0.2682 0.5056 ( 9858 PWs) bands (ev): -59.8660 -59.8660 -59.8539 -59.8539 -31.9713 -31.9713 -31.9269 -31.9269 -31.0381 -31.0381 -30.9612 -30.9612 -30.9425 -30.9425 -30.9393 -30.9393 0.4062 0.4062 1.2476 1.2476 1.4836 1.4836 1.6722 1.6722 4.7870 4.7870 5.0165 5.0165 7.3012 7.3012 7.7135 7.7135 8.7136 8.7136 9.1409 9.1409 9.9559 9.9559 10.0719 10.0719 10.3277 10.3277 10.7277 10.7277 11.0936 11.0936 11.2697 11.2697 11.3137 11.3137 12.1191 12.1191 12.3781 12.3781 12.9691 12.9691 12.9905 12.9905 k =-0.4184 0.2618 0.4935 ( 9866 PWs) bands (ev): -59.8666 -59.8666 -59.8540 -59.8540 -31.9713 -31.9713 -31.9269 -31.9269 -31.0382 -31.0382 -30.9614 -30.9614 -30.9425 -30.9425 -30.9393 -30.9393 0.3141 0.3141 1.2620 1.2620 1.5021 1.5021 1.7478 1.7478 4.8109 4.8109 5.0800 5.0800 7.2222 7.2222 7.7047 7.7047 8.6972 8.6972 9.2443 9.2443 9.9488 9.9488 10.0459 10.0459 10.2677 10.2677 10.6746 10.6746 11.0777 11.0777 11.2766 11.2766 11.3256 11.3256 12.0695 12.0695 12.3374 12.3374 12.9915 12.9915 13.0407 13.0407 k =-0.4082 0.2554 0.4815 ( 9870 PWs) bands (ev): -59.8672 -59.8672 -59.8537 -59.8537 -31.9713 -31.9713 -31.9270 -31.9270 -31.0382 -31.0382 -30.9615 -30.9615 -30.9424 -30.9424 -30.9394 -30.9394 0.2220 0.2220 1.2783 1.2783 1.5231 1.5231 1.8219 1.8219 4.8380 4.8380 5.1498 5.1498 7.1455 7.1455 7.6954 7.6954 8.6784 8.6784 9.3473 9.3473 9.9403 9.9403 10.0153 10.0153 10.2075 10.2075 10.6183 10.6183 11.0625 11.0625 11.2813 11.2813 11.3371 11.3371 12.0236 12.0236 12.2932 12.2932 13.0157 13.0157 13.0883 13.0883 k =-0.3980 0.2490 0.4694 ( 9874 PWs) bands (ev): -59.8682 -59.8682 -59.8531 -59.8531 -31.9712 -31.9712 -31.9272 -31.9272 -31.0380 -31.0380 -30.9616 -30.9616 -30.9424 -30.9424 -30.9396 -30.9396 0.1303 0.1303 1.2963 1.2963 1.5465 1.5465 1.8948 1.8948 4.8683 4.8683 5.2246 5.2246 7.0726 7.0726 7.6860 7.6860 8.6580 8.6580 9.4475 9.4475 9.9258 9.9258 9.9809 9.9809 10.1505 10.1505 10.5567 10.5567 11.0480 11.0480 11.2839 11.2839 11.3484 11.3484 11.9823 11.9823 12.2467 12.2467 13.0415 13.0415 13.1315 13.1315 k =-0.3878 0.2426 0.4574 ( 9866 PWs) bands (ev): -59.8679 -59.8679 -59.8528 -59.8528 -31.9712 -31.9712 -31.9271 -31.9271 -31.0380 -31.0380 -30.9615 -30.9615 -30.9423 -30.9423 -30.9396 -30.9396 0.0391 0.0391 1.3162 1.3162 1.5723 1.5723 1.9662 1.9662 4.9016 4.9016 5.3033 5.3033 7.0049 7.0049 7.6753 7.6753 8.6366 8.6366 9.5412 9.5412 9.8942 9.8942 9.9547 9.9547 10.0983 10.0983 10.4912 10.4912 11.0354 11.0354 11.2923 11.2923 11.3612 11.3612 11.9446 11.9446 12.2010 12.2010 13.0682 13.0682 13.1696 13.1696 k =-0.3776 0.2362 0.4454 ( 9866 PWs) bands (ev): -59.8679 -59.8679 -59.8528 -59.8528 -31.9712 -31.9712 -31.9271 -31.9271 -31.0380 -31.0380 -30.9615 -30.9615 -30.9424 -30.9424 -30.9396 -30.9396 -0.0513 -0.0513 1.3378 1.3378 1.6006 1.6006 2.0364 2.0364 4.9380 4.9380 5.3842 5.3842 6.9441 6.9441 7.6637 7.6637 8.6133 8.6133 9.6195 9.6195 9.8486 9.8486 9.9398 9.9398 10.0506 10.0506 10.4227 10.4227 11.0241 11.0241 11.3007 11.3007 11.3731 11.3731 11.9101 11.9101 12.1534 12.1534 13.0948 13.0948 13.2023 13.2023 k =-0.3673 0.2298 0.4333 ( 9872 PWs) bands (ev): -59.8682 -59.8682 -59.8530 -59.8530 -31.9712 -31.9712 -31.9271 -31.9271 -31.0381 -31.0381 -30.9616 -30.9616 -30.9424 -30.9424 -30.9396 -30.9396 -0.1407 -0.1407 1.3612 1.3612 1.6312 1.6312 2.1053 2.1053 4.9775 4.9775 5.4650 5.4650 6.8922 6.8922 7.6512 7.6512 8.5887 8.5887 9.6527 9.6527 9.8269 9.8269 9.9282 9.9282 10.0058 10.0058 10.3515 10.3515 11.0146 11.0146 11.3089 11.3089 11.3846 11.3846 11.8787 11.8787 12.1050 12.1050 13.1183 13.1183 13.2295 13.2295 k =-0.3571 0.2235 0.4213 ( 9868 PWs) bands (ev): -59.8685 -59.8685 -59.8524 -59.8524 -31.9711 -31.9711 -31.9272 -31.9272 -31.0380 -31.0380 -30.9616 -30.9616 -30.9423 -30.9423 -30.9396 -30.9396 -0.2289 -0.2289 1.3862 1.3862 1.6642 1.6642 2.1731 2.1731 5.0200 5.0200 5.5433 5.5433 6.8516 6.8516 7.6381 7.6381 8.5637 8.5637 9.6129 9.6129 9.8577 9.8577 9.9175 9.9175 9.9636 9.9636 10.2802 10.2802 11.0106 11.0106 11.3178 11.3178 11.3961 11.3961 11.8503 11.8503 12.0575 12.0575 13.1294 13.1294 13.2529 13.2529 k =-0.3469 0.2171 0.4093 ( 9880 PWs) bands (ev): -59.8692 -59.8692 -59.8527 -59.8527 -31.9712 -31.9712 -31.9272 -31.9272 -31.0380 -31.0380 -30.9617 -30.9617 -30.9424 -30.9424 -30.9397 -30.9397 -0.3158 -0.3158 1.4129 1.4129 1.6996 1.6996 2.2398 2.2398 5.0654 5.0654 5.6159 5.6159 6.8253 6.8253 7.6236 7.6236 8.5373 8.5373 9.5382 9.5382 9.8685 9.8685 9.9208 9.9208 9.9420 9.9420 10.2073 10.2073 11.0116 11.0116 11.3256 11.3256 11.4070 11.4070 11.8243 11.8243 12.0081 12.0081 13.1059 13.1059 13.2714 13.2714 k =-0.3367 0.2107 0.3972 ( 9882 PWs) bands (ev): -59.8687 -59.8687 -59.8533 -59.8533 -31.9713 -31.9713 -31.9272 -31.9272 -31.0382 -31.0382 -30.9616 -30.9616 -30.9426 -30.9426 -30.9396 -30.9396 -0.4011 -0.4011 1.4413 1.4413 1.7373 1.7373 2.3055 2.3055 5.1137 5.1137 5.6794 5.6794 6.8165 6.8165 7.6083 7.6083 8.5103 8.5103 9.4528 9.4528 9.8272 9.8272 9.9073 9.9073 9.9780 9.9780 10.1366 10.1366 11.0214 11.0214 11.3371 11.3371 11.4188 11.4188 11.8002 11.8002 11.9597 11.9597 13.0411 13.0411 13.2886 13.2886 k =-0.3265 0.2043 0.3852 ( 9872 PWs) bands (ev): -59.8682 -59.8682 -59.8530 -59.8530 -31.9713 -31.9713 -31.9271 -31.9271 -31.0381 -31.0381 -30.9615 -30.9615 -30.9425 -30.9425 -30.9395 -30.9395 -0.4849 -0.4849 1.4712 1.4712 1.7772 1.7772 2.3703 2.3703 5.1651 5.1651 5.7304 5.7304 6.8282 6.8282 7.5921 7.5921 8.4831 8.4831 9.3634 9.3634 9.7703 9.7703 9.8927 9.8927 9.9958 9.9958 10.0851 10.0851 11.0395 11.0395 11.3489 11.3489 11.4305 11.4305 11.7790 11.7790 11.9122 11.9122 12.9562 12.9562 13.2961 13.2961 k =-0.3163 0.1979 0.3731 ( 9862 PWs) bands (ev): -59.8681 -59.8681 -59.8524 -59.8524 -31.9712 -31.9712 -31.9270 -31.9270 -31.0381 -31.0381 -30.9614 -30.9614 -30.9424 -30.9424 -30.9396 -30.9396 -0.5670 -0.5670 1.5026 1.5026 1.8195 1.8195 2.4341 2.4341 5.2192 5.2192 5.7670 5.7670 6.8619 6.8619 7.5751 7.5751 8.4558 8.4558 9.2727 9.2727 9.7055 9.7055 9.8772 9.8772 9.9556 9.9556 10.0816 10.0816 11.0654 11.0654 11.3581 11.3581 11.4409 11.4409 11.7588 11.7588 11.8657 11.8657 12.8659 12.8659 13.2992 13.2992 k =-0.3061 0.1915 0.3611 ( 9862 PWs) bands (ev): -59.8684 -59.8684 -59.8521 -59.8521 -31.9712 -31.9712 -31.9271 -31.9271 -31.0380 -31.0380 -30.9615 -30.9615 -30.9424 -30.9424 -30.9395 -30.9395 -0.6472 -0.6472 1.5355 1.5355 1.8639 1.8639 2.4969 2.4969 5.2763 5.2763 5.7887 5.7887 6.9168 6.9168 7.5570 7.5570 8.4283 8.4283 9.1812 9.1812 9.6322 9.6322 9.8522 9.8522 9.8965 9.8965 10.0907 10.0907 11.0972 11.0972 11.3675 11.3675 11.4517 11.4517 11.7411 11.7411 11.8202 11.8202 12.7763 12.7763 13.2960 13.2960 k =-0.2959 0.1852 0.3491 ( 9856 PWs) bands (ev): -59.8682 -59.8682 -59.8518 -59.8518 -31.9712 -31.9712 -31.9270 -31.9270 -31.0381 -31.0381 -30.9614 -30.9614 -30.9424 -30.9424 -30.9395 -30.9395 -0.7255 -0.7255 1.5698 1.5698 1.9106 1.9106 2.5587 2.5587 5.3359 5.3359 5.7976 5.7976 6.9904 6.9904 7.5386 7.5386 8.4005 8.4005 9.0903 9.0903 9.5531 9.5531 9.7978 9.7978 9.8623 9.8623 10.0932 10.0932 11.1357 11.1357 11.3778 11.3778 11.4621 11.4621 11.7229 11.7229 11.7748 11.7748 12.6909 12.6909 13.2895 13.2895 k =-0.2857 0.1788 0.3370 ( 9864 PWs) bands (ev): -59.8686 -59.8686 -59.8521 -59.8521 -31.9713 -31.9713 -31.9271 -31.9271 -31.0381 -31.0381 -30.9614 -30.9614 -30.9425 -30.9425 -30.9396 -30.9396 -0.8017 -0.8017 1.6054 1.6054 1.9593 1.9593 2.6195 2.6195 5.3983 5.3983 5.7969 5.7969 7.0777 7.0777 7.5212 7.5212 8.3724 8.3724 9.0012 9.0012 9.4674 9.4674 9.7260 9.7260 9.8397 9.8397 10.0863 10.0863 11.1783 11.1783 11.3874 11.3874 11.4704 11.4704 11.7039 11.7039 11.7303 11.7303 12.6111 12.6111 13.2733 13.2733 k =-0.2755 0.1724 0.3250 ( 9872 PWs) bands (ev): -59.8687 -59.8687 -59.8526 -59.8526 -31.9713 -31.9713 -31.9271 -31.9271 -31.0382 -31.0382 -30.9614 -30.9614 -30.9426 -30.9426 -30.9396 -30.9396 -0.8758 -0.8758 1.6422 1.6422 2.0101 2.0101 2.6791 2.6791 5.4631 5.4631 5.7898 5.7898 7.1712 7.1712 7.5081 7.5081 8.3447 8.3447 8.9142 8.9142 9.3751 9.3751 9.6514 9.6514 9.8171 9.8171 10.0713 10.0713 11.2225 11.2225 11.3971 11.3971 11.4793 11.4793 11.6775 11.6775 11.6960 11.6960 12.5373 12.5373 13.2513 13.2513 k =-0.2653 0.1660 0.3130 ( 9867 PWs) bands (ev): -59.8686 -59.8686 -59.8523 -59.8523 -31.9713 -31.9713 -31.9270 -31.9270 -31.0382 -31.0382 -30.9614 -30.9614 -30.9426 -30.9426 -30.9396 -30.9396 -0.9478 -0.9478 1.6803 1.6803 2.0628 2.0628 2.7373 2.7373 5.5302 5.5302 5.7796 5.7796 7.2567 7.2567 7.5102 7.5102 8.3178 8.3178 8.8309 8.8309 9.2774 9.2774 9.5771 9.5771 9.7922 9.7922 10.0503 10.0503 11.2677 11.2677 11.4066 11.4066 11.4879 11.4879 11.6400 11.6400 11.6766 11.6766 12.4707 12.4707 13.2240 13.2240 k =-0.2551 0.1596 0.3009 ( 9859 PWs) bands (ev): -59.8680 -59.8680 -59.8522 -59.8522 -31.9713 -31.9713 -31.9269 -31.9269 -31.0382 -31.0382 -30.9612 -30.9612 -30.9426 -30.9426 -30.9395 -30.9395 -1.0174 -1.0174 1.7195 1.7195 2.1174 2.1174 2.7941 2.7941 5.5990 5.5990 5.7691 5.7691 7.3071 7.3071 7.5511 7.5511 8.2914 8.2914 8.7514 8.7514 9.1749 9.1749 9.5033 9.5033 9.7634 9.7634 10.0250 10.0250 11.3116 11.3116 11.4167 11.4167 11.4963 11.4963 11.6022 11.6022 11.6600 11.6600 12.4111 12.4111 13.1895 13.1895 k =-0.2449 0.1532 0.2889 ( 9867 PWs) bands (ev): -59.8683 -59.8683 -59.8525 -59.8525 -31.9714 -31.9714 -31.9270 -31.9270 -31.0382 -31.0382 -30.9612 -30.9612 -30.9428 -30.9428 -30.9395 -30.9395 -1.0847 -1.0847 1.7596 1.7596 2.1738 2.1738 2.8492 2.8492 5.6672 5.6672 5.7625 5.7625 7.3112 7.3112 7.6386 7.6386 8.2660 8.2660 8.6761 8.6761 9.0670 9.0670 9.4298 9.4298 9.7287 9.7287 9.9973 9.9973 11.3528 11.3528 11.4224 11.4224 11.5007 11.5007 11.5675 11.5675 11.6427 11.6427 12.3572 12.3572 13.1470 13.1470 k =-0.2347 0.1468 0.2768 ( 9867 PWs) bands (ev): -59.8687 -59.8687 -59.8521 -59.8521 -31.9714 -31.9714 -31.9270 -31.9270 -31.0382 -31.0382 -30.9613 -30.9613 -30.9427 -30.9427 -30.9396 -30.9396 -1.1497 -1.1497 1.8006 1.8006 2.2320 2.2320 2.9025 2.9025 5.7189 5.7189 5.7771 5.7771 7.2893 7.2893 7.7497 7.7497 8.2426 8.2426 8.6065 8.6065 8.9545 8.9545 9.3582 9.3582 9.6871 9.6871 9.9689 9.9689 11.3921 11.3921 11.4246 11.4246 11.5015 11.5015 11.5426 11.5426 11.6256 11.6256 12.3087 12.3087 13.1003 13.1003 k =-0.2245 0.1405 0.2648 ( 9855 PWs) bands (ev): -59.8684 -59.8684 -59.8514 -59.8514 -31.9713 -31.9713 -31.9269 -31.9269 -31.0381 -31.0381 -30.9612 -30.9612 -30.9427 -30.9427 -30.9395 -30.9395 -1.2122 -1.2122 1.8424 1.8424 2.2917 2.2917 2.9536 2.9536 5.7301 5.7301 5.8381 5.8381 7.2550 7.2550 7.8660 7.8660 8.2237 8.2237 8.5431 8.5431 8.8400 8.8400 9.2881 9.2881 9.6383 9.6383 9.9416 9.9416 11.4151 11.4151 11.4299 11.4299 11.4966 11.4966 11.5347 11.5347 11.6092 11.6092 12.2674 12.2674 13.0483 13.0483 k =-0.2143 0.1341 0.2528 ( 9873 PWs) bands (ev): -59.8693 -59.8693 -59.8519 -59.8519 -31.9714 -31.9714 -31.9271 -31.9271 -31.0382 -31.0382 -30.9614 -30.9614 -30.9428 -30.9428 -30.9396 -30.9396 -1.2722 -1.2722 1.8849 1.8849 2.3528 2.3528 3.0024 3.0024 5.7325 5.7325 5.9141 5.9141 7.2133 7.2133 7.9727 7.9727 8.2170 8.2170 8.4841 8.4841 8.7227 8.7227 9.2185 9.2185 9.5798 9.5798 9.9151 9.9151 11.3973 11.3973 11.4584 11.4584 11.4925 11.4925 11.5343 11.5343 11.5910 11.5910 12.2284 12.2284 12.9891 12.9891 k =-0.2041 0.1277 0.2407 ( 9859 PWs) bands (ev): -59.8680 -59.8680 -59.8520 -59.8520 -31.9714 -31.9714 -31.9269 -31.9269 -31.0382 -31.0382 -30.9611 -30.9611 -30.9429 -30.9429 -30.9395 -30.9395 -1.3296 -1.3296 1.9278 1.9278 2.4152 2.4152 3.0486 3.0486 5.7380 5.7380 5.9944 5.9944 7.1662 7.1662 8.0436 8.0436 8.2460 8.2460 8.4320 8.4320 8.6067 8.6067 9.1504 9.1504 9.5157 9.5157 9.8921 9.8921 11.3704 11.3704 11.4840 11.4840 11.4986 11.4986 11.5353 11.5353 11.5766 11.5766 12.1965 12.1965 12.9256 12.9256 k =-0.1939 0.1213 0.2287 ( 9861 PWs) bands (ev): -59.8681 -59.8681 -59.8520 -59.8520 -31.9714 -31.9714 -31.9269 -31.9269 -31.0382 -31.0382 -30.9611 -30.9611 -30.9429 -30.9429 -30.9395 -30.9395 -1.3845 -1.3845 1.9711 1.9711 2.4787 2.4787 3.0921 3.0921 5.7484 5.7484 6.0772 6.0772 7.1147 7.1147 8.0595 8.0595 8.3174 8.3174 8.3897 8.3897 8.4954 8.4954 9.0839 9.0839 9.4426 9.4426 9.8708 9.8708 11.3414 11.3414 11.4973 11.4973 11.5031 11.5031 11.5357 11.5357 11.5694 11.5694 12.1665 12.1665 12.8593 12.8594 k =-0.1837 0.1149 0.2167 ( 9873 PWs) bands (ev): -59.8687 -59.8687 -59.8523 -59.8523 -31.9715 -31.9715 -31.9269 -31.9269 -31.0383 -31.0383 -30.9612 -30.9612 -30.9430 -30.9430 -30.9396 -30.9396 -1.4368 -1.4368 2.0146 2.0146 2.5432 2.5432 3.1326 3.1326 5.7647 5.7647 6.1621 6.1621 7.0597 7.0597 8.0472 8.0472 8.3073 8.3073 8.3807 8.3807 8.4618 8.4618 9.0187 9.0187 9.3616 9.3616 9.8516 9.8516 11.3101 11.3101 11.4854 11.4854 11.5092 11.5092 11.5476 11.5476 11.5697 11.5697 12.1388 12.1388 12.7905 12.7905 k =-0.1735 0.1085 0.2046 ( 9873 PWs) bands (ev): -59.8684 -59.8684 -59.8526 -59.8526 -31.9716 -31.9716 -31.9269 -31.9269 -31.0383 -31.0383 -30.9611 -30.9611 -30.9431 -30.9431 -30.9395 -30.9395 -1.4864 -1.4864 2.0580 2.0580 2.6083 2.6083 3.1700 3.1700 5.7872 5.7872 6.2486 6.2486 7.0019 7.0019 8.0247 8.0247 8.2166 8.2166 8.3303 8.3303 8.5623 8.5623 8.9559 8.9559 9.2751 9.2751 9.8352 9.8352 11.2796 11.2796 11.4581 11.4581 11.5182 11.5182 11.5643 11.5643 11.5735 11.5735 12.1137 12.1137 12.7240 12.7240 k =-0.1633 0.1022 0.1926 ( 9889 PWs) bands (ev): -59.8690 -59.8690 -59.8533 -59.8533 -31.9717 -31.9717 -31.9270 -31.9270 -31.0385 -31.0385 -30.9612 -30.9612 -30.9432 -30.9432 -30.9396 -30.9396 -1.5333 -1.5333 2.1012 2.1012 2.6738 2.6738 3.2042 3.2042 5.8162 5.8162 6.3366 6.3366 6.9420 6.9420 7.9947 7.9947 8.1109 8.1109 8.2960 8.2960 8.6674 8.6674 8.8956 8.8956 9.1824 9.1824 9.8201 9.8201 11.2483 11.2483 11.4229 11.4229 11.5252 11.5252 11.5747 11.5747 11.5840 11.5840 12.0888 12.0888 12.6588 12.6588 k =-0.1531 0.0958 0.1806 ( 9903 PWs) bands (ev): -59.8698 -59.8698 -59.8536 -59.8536 -31.9718 -31.9718 -31.9271 -31.9271 -31.0386 -31.0386 -30.9612 -30.9612 -30.9433 -30.9433 -30.9398 -30.9398 -1.5776 -1.5776 2.1440 2.1440 2.7395 2.7395 3.2353 3.2353 5.8521 5.8521 6.4256 6.4256 6.8809 6.8809 7.9428 7.9428 8.0241 8.0241 8.2697 8.2697 8.7590 8.7590 8.8443 8.8443 9.0859 9.0859 9.8051 9.8051 11.2199 11.2199 11.3829 11.3829 11.5315 11.5315 11.5796 11.5796 11.6013 11.6013 12.0660 12.0660 12.5928 12.5928 k =-0.1429 0.0894 0.1685 ( 9915 PWs) bands (ev): -59.8708 -59.8708 -59.8536 -59.8536 -31.9718 -31.9718 -31.9272 -31.9272 -31.0386 -31.0386 -30.9614 -30.9614 -30.9433 -30.9433 -30.9399 -30.9399 -1.6190 -1.6190 2.1861 2.1861 2.8050 2.8050 3.2630 3.2630 5.8947 5.8947 6.5155 6.5155 6.8192 6.8192 7.8501 7.8501 7.9797 7.9797 8.2478 8.2478 8.7579 8.7579 8.8716 8.8716 8.9928 8.9928 9.7924 9.7924 11.1933 11.1933 11.3373 11.3373 11.5385 11.5385 11.5847 11.5847 11.6189 11.6189 12.0436 12.0436 12.5329 12.5329 k =-0.1327 0.0830 0.1565 ( 9917 PWs) bands (ev): -59.8706 -59.8706 -59.8539 -59.8539 -31.9718 -31.9718 -31.9271 -31.9271 -31.0386 -31.0386 -30.9613 -30.9613 -30.9434 -30.9434 -30.9399 -30.9399 -1.6577 -1.6577 2.2273 2.2273 2.8700 2.8700 3.2877 3.2877 5.9438 5.9438 6.6054 6.6054 6.7580 6.7580 7.7447 7.7447 7.9520 7.9520 8.2293 8.2293 8.7037 8.7037 8.8563 8.8563 8.9869 8.9869 9.7835 9.7835 11.1667 11.1667 11.2874 11.2874 11.5445 11.5445 11.5907 11.5907 11.6372 11.6372 12.0213 12.0213 12.4776 12.4776 k =-0.1224 0.0766 0.1444 ( 9917 PWs) bands (ev): -59.8703 -59.8703 -59.8542 -59.8542 -31.9719 -31.9719 -31.9271 -31.9271 -31.0387 -31.0387 -30.9612 -30.9612 -30.9435 -30.9435 -30.9399 -30.9399 -1.6937 -1.6937 2.2673 2.2673 2.9339 2.9339 3.3094 3.3094 5.9993 5.9993 6.6864 6.6864 6.7066 6.7066 7.6403 7.6403 7.9287 7.9287 8.2132 8.2132 8.6458 8.6458 8.7566 8.7566 9.0578 9.0578 9.7772 9.7772 11.1434 11.1434 11.2326 11.2326 11.5516 11.5516 11.5959 11.5959 11.6554 11.6554 11.9990 11.9990 12.4272 12.4272 k =-0.1122 0.0702 0.1324 ( 9909 PWs) bands (ev): -59.8700 -59.8700 -59.8539 -59.8539 -31.9719 -31.9719 -31.9270 -31.9270 -31.0387 -31.0387 -30.9612 -30.9612 -30.9434 -30.9434 -30.9398 -30.9398 -1.7268 -1.7268 2.3057 2.3057 2.9964 2.9964 3.3282 3.3282 6.0608 6.0608 6.6373 6.6373 6.7859 6.7859 7.5405 7.5405 7.9075 7.9075 8.1987 8.1987 8.5873 8.5873 8.6488 8.6488 9.1268 9.1268 9.7723 9.7723 11.1227 11.1227 11.1769 11.1769 11.5597 11.5597 11.6024 11.6024 11.6743 11.6743 11.9760 11.9760 12.3832 12.3832 k =-0.1020 0.0638 0.1204 ( 9913 PWs) bands (ev): -59.8697 -59.8697 -59.8545 -59.8545 -31.9720 -31.9720 -31.9270 -31.9270 -31.0389 -31.0389 -30.9610 -30.9610 -30.9435 -30.9435 -30.9398 -30.9398 -1.7570 -1.7570 2.3424 2.3424 3.0569 3.0569 3.3443 3.3443 6.1277 6.1277 6.5813 6.5813 6.8719 6.8719 7.4484 7.4484 7.8875 7.8875 8.1843 8.1843 8.5235 8.5235 8.5454 8.5454 9.1880 9.1880 9.7692 9.7692 11.1009 11.1009 11.1191 11.1191 11.5659 11.5659 11.6066 11.6066 11.6925 11.6925 11.9503 11.9503 12.3444 12.3444 k =-0.0918 0.0575 0.1083 ( 9923 PWs) bands (ev): -59.8705 -59.8705 -59.8545 -59.8545 -31.9720 -31.9720 -31.9271 -31.9271 -31.0389 -31.0389 -30.9612 -30.9612 -30.9436 -30.9436 -30.9399 -30.9399 -1.7845 -1.7845 2.3769 2.3769 3.1148 3.1148 3.3580 3.3580 6.1993 6.1993 6.5284 6.5284 6.9519 6.9519 7.3678 7.3678 7.8681 7.8681 8.1691 8.1691 8.4272 8.4272 8.4767 8.4767 9.2390 9.2390 9.7684 9.7684 11.0570 11.0570 11.0856 11.0856 11.5707 11.5707 11.6100 11.6100 11.7105 11.7105 11.9264 11.9264 12.3117 12.3117 k =-0.0816 0.0511 0.0963 ( 9923 PWs) bands (ev): -59.8705 -59.8705 -59.8545 -59.8545 -31.9720 -31.9720 -31.9271 -31.9271 -31.0389 -31.0389 -30.9611 -30.9611 -30.9436 -30.9436 -30.9399 -30.9399 -1.8091 -1.8091 2.4089 2.4089 3.1694 3.1694 3.3695 3.3695 6.2742 6.2742 6.4800 6.4800 7.0167 7.0167 7.3090 7.3090 7.8483 7.8483 8.1487 8.1487 8.3279 8.3279 8.4191 8.4191 9.2818 9.2818 9.7703 9.7703 11.0009 11.0009 11.0684 11.0684 11.5762 11.5762 11.6139 11.6139 11.7262 11.7262 11.9035 11.9035 12.2843 12.2843 k =-0.0714 0.0447 0.0843 ( 9923 PWs) bands (ev): -59.8699 -59.8699 -59.8551 -59.8551 -31.9721 -31.9721 -31.9270 -31.9270 -31.0390 -31.0390 -30.9610 -30.9610 -30.9437 -30.9437 -30.9399 -30.9399 -1.8308 -1.8308 2.4382 2.4382 3.2201 3.2201 3.3790 3.3790 6.3480 6.3480 6.4401 6.4401 7.0458 7.0458 7.2925 7.2925 7.8264 7.8264 8.1139 8.1139 8.2458 8.2458 8.3637 8.3637 9.3173 9.3173 9.7745 9.7745 10.9460 10.9460 11.0521 11.0521 11.5818 11.5818 11.6178 11.6178 11.7416 11.7416 11.8804 11.8804 12.2597 12.2597 k =-0.0612 0.0383 0.0722 ( 9917 PWs) bands (ev): -59.8699 -59.8699 -59.8546 -59.8546 -31.9721 -31.9721 -31.9270 -31.9270 -31.0389 -31.0389 -30.9610 -30.9610 -30.9437 -30.9437 -30.9398 -30.9398 -1.8497 -1.8497 2.4643 2.4643 3.2662 3.2662 3.3868 3.3868 6.3764 6.3764 6.4521 6.4521 7.0305 7.0305 7.3274 7.3274 7.7996 7.7996 8.0567 8.0567 8.1911 8.1911 8.3128 8.3128 9.3444 9.3444 9.7792 9.7792 10.8952 10.8952 11.0400 11.0400 11.5866 11.5866 11.6226 11.6226 11.7557 11.7557 11.8635 11.8635 12.2407 12.2407 k =-0.0510 0.0319 0.0602 ( 9913 PWs) bands (ev): -59.8696 -59.8696 -59.8546 -59.8546 -31.9721 -31.9721 -31.9269 -31.9269 -31.0389 -31.0389 -30.9609 -30.9609 -30.9437 -30.9437 -30.9398 -30.9398 -1.8656 -1.8656 2.4870 2.4870 3.3069 3.3069 3.3930 3.3930 6.3489 6.3489 6.5245 6.5245 6.9969 6.9969 7.3870 7.3870 7.7644 7.7644 7.9934 7.9934 8.1497 8.1497 8.2709 8.2709 9.3651 9.3651 9.7848 9.7848 10.8496 10.8496 11.0292 11.0292 11.5917 11.5917 11.6263 11.6263 11.7673 11.7673 11.8481 11.8481 12.2239 12.2239 k =-0.0408 0.0255 0.0481 ( 9907 PWs) bands (ev): -59.8695 -59.8695 -59.8543 -59.8543 -31.9720 -31.9720 -31.9269 -31.9269 -31.0389 -31.0389 -30.9609 -30.9609 -30.9436 -30.9436 -30.9397 -30.9397 -1.8787 -1.8787 2.5061 2.5061 3.3414 3.3414 3.3978 3.3978 6.3208 6.3208 6.5984 6.5984 6.9663 6.9663 7.4462 7.4462 7.7227 7.7227 7.9441 7.9441 8.1034 8.1034 8.2425 8.2425 9.3804 9.3804 9.7904 9.7904 10.8106 10.8106 11.0219 11.0219 11.5955 11.5955 11.6291 11.6291 11.7754 11.7754 11.8344 11.8344 12.2132 12.2132 k =-0.0306 0.0192 0.0361 ( 9911 PWs) bands (ev): -59.8692 -59.8692 -59.8550 -59.8550 -31.9721 -31.9721 -31.9268 -31.9268 -31.0390 -31.0390 -30.9608 -30.9608 -30.9437 -30.9437 -30.9397 -30.9397 -1.8889 -1.8889 2.5212 2.5212 3.3691 3.3691 3.4014 3.4014 6.2978 6.2978 6.6617 6.6617 6.9500 6.9500 7.4796 7.4796 7.6969 7.6969 7.9128 7.9128 8.0478 8.0478 8.2259 8.2259 9.3914 9.3914 9.7956 9.7956 10.7771 10.7771 11.0145 11.0145 11.5982 11.5982 11.6317 11.6317 11.7807 11.7807 11.8227 11.8227 12.2041 12.2041 k =-0.0204 0.0128 0.0241 ( 9909 PWs) bands (ev): -59.8690 -59.8690 -59.8549 -59.8549 -31.9721 -31.9721 -31.9268 -31.9268 -31.0391 -31.0391 -30.9608 -30.9608 -30.9437 -30.9437 -30.9396 -30.9396 -1.8961 -1.8961 2.5321 2.5321 3.3892 3.3892 3.4038 3.4038 6.2810 6.2810 6.7049 6.7049 6.9540 6.9540 7.4652 7.4652 7.7179 7.7179 7.8948 7.8948 7.9860 7.9860 8.2169 8.2169 9.3978 9.3978 9.7997 9.7997 10.7542 10.7542 11.0104 11.0104 11.6011 11.6011 11.6340 11.6340 11.7830 11.7830 11.8161 11.8161 12.1978 12.1978 k =-0.0102 0.0064 0.0120 ( 9891 PWs) bands (ev): -59.8679 -59.8679 -59.8546 -59.8546 -31.9721 -31.9721 -31.9267 -31.9267 -31.0390 -31.0390 -30.9606 -30.9606 -30.9436 -30.9436 -30.9395 -30.9395 -1.9005 -1.9005 2.5388 2.5388 3.4015 3.4015 3.4054 3.4054 6.2708 6.2708 6.7257 6.7257 6.9716 6.9716 7.4307 7.4307 7.7704 7.7704 7.8852 7.8852 7.9233 7.9233 8.2124 8.2124 9.4033 9.4033 9.8027 9.8027 10.7403 10.7403 11.0078 11.0078 11.6046 11.6046 11.6373 11.6373 11.7832 11.7832 11.8141 11.8141 12.1958 12.1958 k = 0.0000 0.0000 0.0000 ( 9903 PWs) bands (ev): -59.8679 -59.8679 -59.8556 -59.8556 -31.9723 -31.9723 -31.9267 -31.9267 -31.0392 -31.0392 -30.9606 -30.9606 -30.9437 -30.9437 -30.9395 -30.9395 -1.9019 -1.9019 2.5410 2.5410 3.4050 3.4050 3.4064 3.4064 6.2674 6.2674 6.7311 6.7311 6.9816 6.9816 7.4142 7.4142 7.8110 7.8110 7.8751 7.8751 7.8879 7.8879 8.2110 8.2110 9.4046 9.4046 9.8036 9.8036 10.7338 10.7338 11.0064 11.0064 11.6049 11.6049 11.6375 11.6375 11.7812 11.7812 11.8118 11.8118 12.1926 12.1926 k = 0.0000 0.0000 0.0000 ( 9903 PWs) bands (ev): -59.8679 -59.8679 -59.8556 -59.8556 -31.9723 -31.9723 -31.9267 -31.9267 -31.0392 -31.0392 -30.9606 -30.9606 -30.9437 -30.9437 -30.9395 -30.9395 -1.9019 -1.9019 2.5410 2.5410 3.4050 3.4050 3.4064 3.4064 6.2674 6.2674 6.7311 6.7311 6.9816 6.9816 7.4142 7.4142 7.8110 7.8110 7.8751 7.8751 7.8879 7.8879 8.2110 8.2110 9.4046 9.4046 9.8036 9.8036 10.7338 10.7338 11.0064 11.0064 11.6049 11.6049 11.6375 11.6375 11.7812 11.7812 11.8118 11.8118 12.1926 12.1926 k = 0.0091 0.0145-0.0000 ( 9887 PWs) bands (ev): -59.8679 -59.8679 -59.8543 -59.8543 -31.9720 -31.9720 -31.9267 -31.9267 -31.0388 -31.0388 -30.9606 -30.9606 -30.9437 -30.9437 -30.9396 -30.9396 -1.9004 -1.9004 2.5402 2.5402 3.4022 3.4022 3.4035 3.4035 6.2589 6.2589 6.7292 6.7292 6.9779 6.9779 7.4171 7.4171 7.8230 7.8230 7.8829 7.8829 7.8937 7.8937 8.2067 8.2067 9.4055 9.4055 9.8042 9.8042 10.7414 10.7414 11.0062 11.0062 11.6006 11.6006 11.6336 11.6336 11.7890 11.7890 11.8192 11.8192 12.1931 12.1931 k = 0.0182 0.0291-0.0000 ( 9903 PWs) bands (ev): -59.8691 -59.8691 -59.8544 -59.8544 -31.9719 -31.9719 -31.9270 -31.9270 -31.0386 -31.0386 -30.9607 -30.9607 -30.9437 -30.9437 -30.9401 -30.9401 -1.8960 -1.8960 2.5376 2.5376 3.3936 3.3936 3.3948 3.3948 6.2343 6.2343 6.7235 6.7235 6.9673 6.9673 7.4254 7.4254 7.8578 7.8578 7.9063 7.9063 7.9106 7.9106 8.1945 8.1945 9.4070 9.4070 9.8053 9.8053 10.7490 10.7490 11.0046 11.0046 11.5843 11.5843 11.6181 11.6181 11.8045 11.8045 11.8337 11.8337 12.1943 12.1943 k = 0.0273 0.0436-0.0000 ( 9895 PWs) bands (ev): -59.8691 -59.8691 -59.8538 -59.8538 -31.9716 -31.9716 -31.9271 -31.9271 -31.0381 -31.0381 -30.9606 -30.9606 -30.9437 -30.9437 -30.9405 -30.9405 -1.8884 -1.8884 2.5333 2.5333 3.3794 3.3794 3.3805 3.3805 6.1962 6.1962 6.7147 6.7147 6.9515 6.9515 7.4378 7.4378 7.9110 7.9110 7.9354 7.9354 7.9466 7.9466 8.1775 8.1775 9.4113 9.4113 9.8083 9.8083 10.7615 10.7615 11.0030 11.0030 11.5680 11.5680 11.6028 11.6028 11.8296 11.8296 11.8575 11.8575 12.1965 12.1965 k = 0.0364 0.0582-0.0000 ( 9895 PWs) bands (ev): -59.8696 -59.8696 -59.8533 -59.8533 -31.9712 -31.9712 -31.9274 -31.9274 -31.0375 -31.0375 -30.9607 -30.9607 -30.9437 -30.9437 -30.9411 -30.9411 -1.8779 -1.8779 2.5273 2.5273 3.3597 3.3597 3.3606 3.3606 6.1478 6.1478 6.7034 6.7034 6.9324 6.9324 7.4528 7.4528 7.9607 7.9607 7.9729 7.9729 8.0096 8.0096 8.1627 8.1627 9.4151 9.4151 9.8138 9.8138 10.7776 10.7776 10.9996 10.9996 11.5478 11.5478 11.5836 11.5836 11.8588 11.8588 11.8852 11.8852 12.2032 12.2032 k = 0.0455 0.0727-0.0000 ( 9887 PWs) bands (ev): -59.8694 -59.8694 -59.8528 -59.8528 -31.9707 -31.9707 -31.9277 -31.9277 -31.0367 -31.0367 -30.9606 -30.9606 -30.9437 -30.9437 -30.9419 -30.9419 -1.8644 -1.8644 2.5193 2.5193 3.3347 3.3347 3.3354 3.3354 6.0926 6.0926 6.6908 6.6908 6.9120 6.9120 7.4693 7.4693 7.9712 7.9712 8.0369 8.0369 8.0964 8.0964 8.1657 8.1657 9.4227 9.4227 9.8188 9.8188 10.7962 10.7962 10.9956 10.9956 11.5269 11.5269 11.5637 11.5637 11.8938 11.8938 11.9186 11.9186 12.2090 12.2090 k = 0.0546 0.0872-0.0000 ( 9903 PWs) bands (ev): -59.8699 -59.8699 -59.8536 -59.8536 -31.9704 -31.9704 -31.9281 -31.9281 -31.0361 -31.0361 -30.9605 -30.9605 -30.9439 -30.9439 -30.9430 -30.9430 -1.8480 -1.8480 2.5094 2.5094 3.3046 3.3046 3.3050 3.3050 6.0334 6.0334 6.6778 6.6778 6.8918 6.8918 7.4857 7.4857 7.9542 7.9542 8.1066 8.1066 8.1986 8.1986 8.1994 8.1994 9.4320 9.4320 9.8223 9.8223 10.8161 10.8161 10.9897 10.9897 11.5032 11.5032 11.5409 11.5409 11.9300 11.9300 11.9531 11.9531 12.2131 12.2131 k = 0.0637 0.1018-0.0000 ( 9887 PWs) bands (ev): -59.8704 -59.8704 -59.8519 -59.8519 -31.9695 -31.9695 -31.9286 -31.9286 -31.0346 -31.0346 -30.9604 -30.9604 -30.9442 -30.9442 -30.9440 -30.9440 -1.8285 -1.8285 2.4974 2.4974 3.2699 3.2699 3.2699 3.2699 5.9727 5.9727 6.6656 6.6656 6.8732 6.8732 7.5003 7.5003 7.9170 7.9170 8.1833 8.1833 8.2580 8.2580 8.3118 8.3118 9.4426 9.4426 9.8285 9.8285 10.8445 10.8445 10.9836 10.9836 11.4791 11.4791 11.5175 11.5175 11.9746 11.9746 11.9961 11.9961 12.2195 12.2195 k = 0.0728 0.1163-0.0000 ( 9883 PWs) bands (ev): -59.8699 -59.8699 -59.8521 -59.8521 -31.9689 -31.9689 -31.9290 -31.9290 -31.0335 -31.0335 -30.9602 -30.9602 -30.9453 -30.9453 -30.9442 -30.9442 -1.8060 -1.8060 2.4833 2.4833 3.2303 3.2303 3.2307 3.2307 5.9126 5.9126 6.6549 6.6549 6.8567 6.8567 7.5100 7.5100 7.8728 7.8728 8.2660 8.2660 8.3310 8.3310 8.4332 8.4332 9.4540 9.4540 9.8381 9.8381 10.8650 10.8650 10.9761 10.9761 11.4561 11.4561 11.4952 11.4952 12.0208 12.0208 12.0405 12.0405 12.2271 12.2271 k = 0.0819 0.1308-0.0000 ( 9899 PWs) bands (ev): -59.8691 -59.8691 -59.8542 -59.8542 -31.9685 -31.9685 -31.9294 -31.9294 -31.0326 -31.0326 -30.9599 -30.9599 -30.9466 -30.9466 -30.9448 -30.9448 -1.7806 -1.7806 2.4668 2.4668 3.1864 3.1864 3.1873 3.1873 5.8545 5.8545 6.6462 6.6462 6.8429 6.8429 7.5092 7.5092 7.8321 7.8321 8.3535 8.3535 8.4127 8.4127 8.5603 8.5603 9.4684 9.4684 9.8450 9.8450 10.8840 10.8840 10.9645 10.9645 11.4338 11.4338 11.4735 11.4735 12.0677 12.0677 12.0853 12.0853 12.2331 12.2331 k = 0.0910 0.1454-0.0000 ( 9899 PWs) bands (ev): -59.8689 -59.8689 -59.8544 -59.8544 -31.9678 -31.9678 -31.9300 -31.9300 -31.0313 -31.0313 -30.9597 -30.9597 -30.9481 -30.9481 -30.9451 -30.9451 -1.7521 -1.7521 2.4480 2.4480 3.1389 3.1389 3.1403 3.1403 5.7997 5.7997 6.6402 6.6402 6.8324 6.8324 7.4905 7.4905 7.8056 7.8056 8.4454 8.4454 8.5006 8.5006 8.6926 8.6926 9.4843 9.4843 9.8507 9.8507 10.9009 10.9009 10.9553 10.9553 11.4103 11.4103 11.4505 11.4505 12.1224 12.1224 12.1378 12.1378 12.2445 12.2445 k = 0.1001 0.1599-0.0000 ( 9883 PWs) bands (ev): -59.8683 -59.8683 -59.8537 -59.8537 -31.9668 -31.9668 -31.9306 -31.9306 -31.0297 -31.0297 -30.9593 -30.9593 -30.9498 -30.9498 -30.9452 -30.9452 -1.7208 -1.7208 2.4266 2.4266 3.0882 3.0882 3.0900 3.0900 5.7491 5.7491 6.6371 6.6371 6.8252 6.8252 7.4495 7.4495 7.7992 7.7992 8.5412 8.5412 8.5936 8.5936 8.8286 8.8286 9.5028 9.5028 9.8553 9.8553 10.9109 10.9109 10.9464 10.9464 11.3884 11.3884 11.4289 11.4289 12.1854 12.1854 12.1976 12.1976 12.2615 12.2615 k = 0.1092 0.1745-0.0000 ( 9883 PWs) bands (ev): -59.8680 -59.8680 -59.8541 -59.8541 -31.9660 -31.9660 -31.9313 -31.9313 -31.0281 -31.0281 -30.9590 -30.9590 -30.9516 -30.9516 -30.9455 -30.9455 -1.6864 -1.6864 2.4026 2.4026 3.0344 3.0344 3.0368 3.0368 5.7035 5.7035 6.6371 6.6371 6.8214 6.8214 7.3892 7.3892 7.8114 7.8114 8.6387 8.6387 8.6889 8.6889 8.9662 8.9662 9.5223 9.5223 9.8579 9.8579 10.9215 10.9215 10.9358 10.9358 11.3652 11.3652 11.4060 11.4060 12.2490 12.2490 12.2509 12.2509 12.2851 12.2851 k = 0.1183 0.1890-0.0000 ( 9883 PWs) bands (ev): -59.8680 -59.8680 -59.8541 -59.8541 -31.9650 -31.9650 -31.9320 -31.9320 -31.0263 -31.0263 -30.9586 -30.9586 -30.9536 -30.9536 -30.9458 -30.9458 -1.6492 -1.6492 2.3760 2.3760 2.9780 2.9780 2.9810 2.9810 5.6635 5.6635 6.6402 6.6402 6.8207 6.8207 7.3160 7.3160 7.8366 7.8366 8.7378 8.7378 8.7863 8.7863 9.1045 9.1045 9.5437 9.5437 9.8574 9.8574 10.9246 10.9246 10.9306 10.9306 11.3416 11.3416 11.3824 11.3824 12.2824 12.2824 12.3171 12.3171 12.3377 12.3377 k = 0.1274 0.2035-0.0000 ( 9887 PWs) bands (ev): -59.8671 -59.8671 -59.8554 -59.8554 -31.9641 -31.9641 -31.9327 -31.9327 -31.0246 -31.0246 -30.9582 -30.9582 -30.9556 -30.9556 -30.9463 -30.9463 -1.6090 -1.6090 2.3468 2.3468 2.9194 2.9194 2.9229 2.9229 5.6295 5.6295 6.6465 6.6465 6.8230 6.8230 7.2352 7.2352 7.8708 7.8708 8.8373 8.8373 8.8844 8.8844 9.2420 9.2420 9.5680 9.5680 9.8535 9.8535 10.9118 10.9118 10.9329 10.9329 11.3203 11.3203 11.3613 11.3613 12.3040 12.3040 12.3878 12.3878 12.4044 12.4044 k = 0.1365 0.2181-0.0000 ( 9891 PWs) bands (ev): -59.8671 -59.8671 -59.8558 -59.8558 -31.9631 -31.9631 -31.9336 -31.9336 -31.0227 -31.0227 -30.9579 -30.9579 -30.9578 -30.9578 -30.9467 -30.9467 -1.5659 -1.5659 2.3149 2.3149 2.8590 2.8590 2.8631 2.8631 5.6018 5.6018 6.6560 6.6560 6.8277 6.8277 7.1504 7.1504 7.9111 7.9111 8.9373 8.9373 8.9834 8.9834 9.3765 9.3765 9.5957 9.5957 9.8435 9.8435 10.8995 10.8995 10.9317 10.9317 11.2981 11.2981 11.3390 11.3390 12.3243 12.3243 12.4081 12.4081 12.4638 12.4638 k = 0.1456 0.2326-0.0000 ( 9875 PWs) bands (ev): -59.8655 -59.8655 -59.8562 -59.8562 -31.9620 -31.9620 -31.9343 -31.9343 -31.0206 -31.0206 -30.9600 -30.9600 -30.9572 -30.9572 -30.9471 -30.9471 -1.5198 -1.5198 2.2804 2.2804 2.7971 2.7971 2.8018 2.8018 5.5808 5.5808 6.6686 6.6686 6.8335 6.8335 7.0649 7.0649 7.9565 7.9565 9.0367 9.0367 9.0823 9.0823 9.5015 9.5015 9.6334 9.6334 9.8280 9.8280 10.8869 10.8869 10.9266 10.9266 11.2809 11.2809 11.3217 11.3217 12.3398 12.3398 12.4100 12.4100 12.5402 12.5402 k = 0.1546 0.2472-0.0000 ( 9891 PWs) bands (ev): -59.8663 -59.8663 -59.8566 -59.8566 -31.9609 -31.9609 -31.9354 -31.9354 -31.0185 -31.0185 -30.9626 -30.9626 -30.9569 -30.9569 -30.9474 -30.9474 -1.4709 -1.4709 2.2435 2.2435 2.7341 2.7341 2.7394 2.7394 5.5663 5.5663 6.6841 6.6841 6.8349 6.8349 6.9847 6.9847 8.0060 8.0060 9.1347 9.1347 9.1803 9.1803 9.5946 9.5946 9.7008 9.7008 9.8031 9.8031 10.8769 10.8769 10.9141 10.9141 11.2575 11.2575 11.2980 11.2980 12.3404 12.3404 12.4278 12.4278 12.5753 12.5753 k = 0.1637 0.2617-0.0000 ( 9891 PWs) bands (ev): -59.8660 -59.8660 -59.8570 -59.8570 -31.9597 -31.9597 -31.9364 -31.9364 -31.0162 -31.0162 -30.9651 -30.9651 -30.9565 -30.9565 -30.9480 -30.9480 -1.4192 -1.4192 2.2043 2.2043 2.6702 2.6702 2.6761 2.6761 5.5587 5.5587 6.7024 6.7024 6.8125 6.8125 6.9303 6.9303 8.0591 8.0591 9.2305 9.2305 9.2769 9.2769 9.6449 9.6449 9.7691 9.7691 9.8086 9.8086 10.8609 10.8609 10.9059 10.9059 11.2388 11.2388 11.2789 11.2789 12.3300 12.3300 12.4605 12.4605 12.4719 12.4719 k = 0.1728 0.2762-0.0000 ( 9883 PWs) bands (ev): -59.8649 -59.8649 -59.8574 -59.8574 -31.9586 -31.9586 -31.9373 -31.9373 -31.0138 -31.0138 -30.9676 -30.9676 -30.9558 -30.9558 -30.9485 -30.9485 -1.3646 -1.3646 2.1629 2.1629 2.6058 2.6058 2.6123 2.6123 5.5579 5.5579 6.7234 6.7234 6.7473 6.7473 6.9211 6.9211 8.1157 8.1157 9.3236 9.3236 9.3717 9.3717 9.6842 9.6842 9.7239 9.7239 9.9267 9.9267 10.8479 10.8479 10.8894 10.8894 11.2218 11.2218 11.2614 11.2614 12.3140 12.3140 12.3369 12.3369 12.5038 12.5038 k = 0.1819 0.2908-0.0000 ( 9887 PWs) bands (ev): -59.8648 -59.8648 -59.8579 -59.8579 -31.9573 -31.9573 -31.9384 -31.9384 -31.0114 -31.0114 -30.9703 -30.9703 -30.9554 -30.9554 -30.9489 -30.9489 -1.3072 -1.3072 2.1196 2.1196 2.5411 2.5411 2.5481 2.5481 5.5637 5.5637 6.6630 6.6630 6.7470 6.7470 6.9336 6.9336 8.1751 8.1751 9.4128 9.4128 9.4630 9.4630 9.6652 9.6652 9.7206 9.7206 10.0424 10.0424 10.8357 10.8357 10.8684 10.8684 11.2062 11.2062 11.2451 11.2451 12.2107 12.2107 12.2915 12.2915 12.5552 12.5552 k = 0.1910 0.3053-0.0000 ( 9895 PWs) bands (ev): -59.8650 -59.8650 -59.8583 -59.8583 -31.9561 -31.9561 -31.9396 -31.9396 -31.0089 -31.0089 -30.9731 -30.9731 -30.9550 -30.9550 -30.9494 -30.9494 -1.2470 -1.2470 2.0745 2.0745 2.4765 2.4765 2.4840 2.4840 5.5762 5.5762 6.5740 6.5740 6.7728 6.7728 6.9537 6.9537 8.2374 8.2374 9.4965 9.4965 9.5361 9.5361 9.6056 9.6056 9.7591 9.7591 10.1523 10.1523 10.8225 10.8225 10.8457 10.8457 11.1915 11.1915 11.2295 11.2295 12.0994 12.0994 12.2680 12.2680 12.6142 12.6142 k = 0.2001 0.3199-0.0000 ( 9895 PWs) bands (ev): -59.8646 -59.8646 -59.8588 -59.8588 -31.9548 -31.9548 -31.9407 -31.9407 -31.0063 -31.0063 -30.9758 -30.9758 -30.9545 -30.9545 -30.9499 -30.9499 -1.1840 -1.1840 2.0280 2.0280 2.4121 2.4121 2.4201 2.4201 5.5951 5.5951 6.4839 6.4839 6.8008 6.8008 6.9778 6.9778 8.3024 8.3024 9.4827 9.4827 9.5733 9.5733 9.6550 9.6550 9.8019 9.8019 10.2549 10.2549 10.8096 10.8096 10.8204 10.8204 11.1802 11.1802 11.2171 11.2171 12.0065 12.0065 12.2415 12.2415 12.6808 12.6808 k = 0.2092 0.3344-0.0000 ( 9887 PWs) bands (ev): -59.8635 -59.8635 -59.8592 -59.8592 -31.9536 -31.9536 -31.9418 -31.9418 -31.0037 -31.0037 -30.9784 -30.9784 -30.9540 -30.9540 -30.9504 -30.9504 -1.1183 -1.1183 1.9802 1.9802 2.3481 2.3481 2.3566 2.3566 5.6203 5.6203 6.3941 6.3941 6.8308 6.8308 7.0047 7.0047 8.3700 8.3700 9.3782 9.3782 9.6415 9.6415 9.7376 9.7376 9.8507 9.8507 10.3492 10.3492 10.7927 10.7927 10.7970 10.7970 11.1720 11.1720 11.2075 11.2075 11.9339 11.9339 12.2119 12.2119 12.7545 12.7545 k = 0.2183 0.3489-0.0000 ( 9883 PWs) bands (ev): -59.8630 -59.8630 -59.8594 -59.8594 -31.9522 -31.9522 -31.9430 -31.9430 -31.0009 -31.0009 -30.9812 -30.9812 -30.9534 -30.9534 -30.9509 -30.9509 -1.0499 -1.0499 1.9315 1.9315 2.2847 2.2847 2.2938 2.2938 5.6516 5.6516 6.3052 6.3052 6.8625 6.8625 7.0337 7.0337 8.4398 8.4398 9.2542 9.2542 9.7000 9.7000 9.8196 9.8196 9.9059 9.9059 10.4346 10.4346 10.7657 10.7657 10.7850 10.7850 11.1657 11.1657 11.1996 11.1996 11.8777 11.8777 12.1791 12.1791 12.8349 12.8349 k = 0.2274 0.3635-0.0000 ( 9891 PWs) bands (ev): -59.8631 -59.8631 -59.8599 -59.8599 -31.9510 -31.9510 -31.9443 -31.9443 -30.9981 -30.9981 -30.9841 -30.9841 -30.9531 -30.9531 -30.9514 -30.9514 -0.9788 -0.9788 1.8821 1.8821 2.2222 2.2222 2.2317 2.2317 5.6888 5.6888 6.2175 6.2175 6.8957 6.8957 7.0644 7.0644 8.5114 8.5114 9.1156 9.1156 9.7493 9.7493 9.8991 9.8991 9.9666 9.9666 10.5108 10.5108 10.7342 10.7342 10.7736 10.7736 11.1612 11.1612 11.1931 11.1931 11.8382 11.8382 12.1416 12.1416 12.9210 12.9210 k = 0.2365 0.3780-0.0000 ( 9883 PWs) bands (ev): -59.8626 -59.8626 -59.8597 -59.8597 -31.9496 -31.9496 -31.9455 -31.9455 -30.9952 -30.9952 -30.9869 -30.9869 -30.9526 -30.9526 -30.9517 -30.9517 -0.9051 -0.9051 1.8323 1.8323 2.1606 2.1606 2.1706 2.1706 5.7317 5.7317 6.1314 6.1314 6.9303 6.9303 7.0965 7.0965 8.5839 8.5839 8.9656 8.9656 9.7921 9.7921 9.9767 9.9767 10.0319 10.0319 10.5780 10.5780 10.7021 10.7021 10.7637 10.7637 11.1614 11.1614 11.1909 11.1909 11.8140 11.8140 12.1019 12.1019 13.0121 13.0121 k = 0.2456 0.3925-0.0000 ( 9867 PWs) bands (ev): -59.8615 -59.8615 -59.8595 -59.8595 -31.9482 -31.9482 -31.9467 -31.9467 -30.9922 -30.9922 -30.9896 -30.9896 -30.9525 -30.9525 -30.9517 -30.9517 -0.8289 -0.8289 1.7822 1.7822 2.1002 2.1002 2.1106 2.1106 5.7801 5.7801 6.0471 6.0471 6.9662 6.9662 7.1299 7.1299 8.6511 8.6511 8.8126 8.8126 9.8299 9.8299 10.0513 10.0513 10.0985 10.0985 10.6355 10.6355 10.6705 10.6705 10.7550 10.7550 11.1659 11.1659 11.1929 11.1929 11.8040 11.8040 12.0588 12.0588 13.1062 13.1062 k = 0.2547 0.4071-0.0000 ( 9863 PWs) bands (ev): -59.8613 -59.8613 -59.8593 -59.8593 -31.9480 -31.9480 -31.9468 -31.9468 -30.9925 -30.9925 -30.9893 -30.9893 -30.9528 -30.9528 -30.9513 -30.9513 -0.7501 -0.7501 1.7323 1.7323 2.0410 2.0410 2.0518 2.0518 5.8338 5.8338 5.9648 5.9648 7.0029 7.0029 7.1640 7.1640 8.6079 8.6079 8.7627 8.7627 9.8642 9.8642 10.1227 10.1227 10.1646 10.1646 10.6357 10.6357 10.6830 10.6830 10.7505 10.7505 11.1720 11.1720 11.1961 11.1961 11.8033 11.8033 12.0118 12.0118 13.2017 13.2017 k = 0.2638 0.4216-0.0000 ( 9867 PWs) bands (ev): -59.8605 -59.8605 -59.8604 -59.8604 -31.9492 -31.9492 -31.9457 -31.9457 -30.9952 -30.9952 -30.9867 -30.9867 -30.9533 -30.9533 -30.9508 -30.9508 -0.6690 -0.6690 1.6825 1.6825 1.9832 1.9832 1.9944 1.9944 5.8845 5.8845 5.8925 5.8925 7.0404 7.0404 7.1985 7.1985 8.4411 8.4411 8.8325 8.8325 9.8955 9.8955 10.1899 10.1899 10.2285 10.2285 10.5970 10.5970 10.7144 10.7144 10.7536 10.7536 11.1816 11.1816 11.2029 11.2029 11.8148 11.8148 11.9604 11.9604 13.2963 13.2963 k = 0.2729 0.4362-0.0000 ( 9839 PWs) bands (ev): -59.8599 -59.8599 -59.8588 -59.8588 -31.9503 -31.9503 -31.9443 -31.9443 -30.9977 -30.9977 -30.9837 -30.9837 -30.9536 -30.9536 -30.9501 -30.9501 -0.5854 -0.5854 1.6333 1.6333 1.9269 1.9269 1.9385 1.9385 5.8065 5.8065 5.9562 5.9562 7.0787 7.0787 7.2336 7.2336 8.2610 8.2610 8.9123 8.9123 9.9259 9.9259 10.2550 10.2550 10.2915 10.2915 10.5631 10.5631 10.7242 10.7242 10.7765 10.7765 11.1969 11.1969 11.2153 11.2153 11.8339 11.8339 11.9061 11.9061 13.3890 13.3890 k = 0.2820 0.4507-0.0000 ( 9840 PWs) bands (ev): -59.8604 -59.8604 -59.8584 -59.8584 -31.9516 -31.9516 -31.9431 -31.9431 -31.0006 -31.0006 -30.9809 -30.9809 -30.9541 -30.9541 -30.9495 -30.9495 -0.4996 -0.4996 1.5848 1.5848 1.8722 1.8722 1.8841 1.8841 5.7308 5.7308 6.0248 6.0248 7.1171 7.1171 7.2678 7.2678 8.0758 8.0758 8.9949 8.9949 9.9528 9.9528 10.3157 10.3157 10.3514 10.3514 10.5288 10.5288 10.7230 10.7230 10.8004 10.8004 11.2129 11.2129 11.2281 11.2281 11.8494 11.8494 11.8564 11.8564 13.4767 13.4767 k = 0.2911 0.4652-0.0000 ( 9844 PWs) bands (ev): -59.8608 -59.8608 -59.8583 -59.8583 -31.9529 -31.9529 -31.9419 -31.9419 -31.0031 -31.0031 -30.9781 -30.9781 -30.9546 -30.9546 -30.9492 -30.9492 -0.4116 -0.4116 1.5371 1.5371 1.8192 1.8192 1.8315 1.8315 5.6576 5.6576 6.0974 6.0974 7.1556 7.1556 7.3008 7.3008 7.8901 7.8901 9.0790 9.0790 9.9760 9.9760 10.3708 10.3708 10.4087 10.4087 10.4980 10.4980 10.7200 10.7200 10.8194 10.8194 11.2334 11.2334 11.2452 11.2452 11.7845 11.7845 11.8875 11.8875 13.5562 13.5562 k = 0.3002 0.4798-0.0000 ( 9832 PWs) bands (ev): -59.8600 -59.8600 -59.8582 -59.8582 -31.9542 -31.9542 -31.9406 -31.9406 -31.0059 -31.0059 -30.9752 -30.9752 -30.9549 -30.9549 -30.9487 -30.9487 -0.3216 -0.3216 1.4905 1.4905 1.7680 1.7680 1.7806 1.7806 5.5871 5.5871 6.1746 6.1746 7.1939 7.1939 7.3296 7.3296 7.7061 7.7061 9.1644 9.1644 9.9998 9.9998 10.4080 10.4080 10.4645 10.4645 10.4850 10.4850 10.7214 10.7214 10.8344 10.8344 11.2574 11.2574 11.2657 11.2657 11.7200 11.7200 11.9189 11.9189 13.6287 13.6287 k = 0.3093 0.4943-0.0000 ( 9836 PWs) bands (ev): -59.8610 -59.8610 -59.8574 -59.8574 -31.9554 -31.9554 -31.9395 -31.9395 -31.0083 -31.0083 -30.9726 -30.9726 -30.9554 -30.9554 -30.9482 -30.9482 -0.2296 -0.2296 1.4451 1.4451 1.7186 1.7186 1.7315 1.7315 5.5190 5.5190 6.2559 6.2559 7.2319 7.2319 7.3408 7.3408 7.5392 7.5392 9.2508 9.2508 10.0203 10.0203 10.3983 10.3983 10.5138 10.5138 10.5155 10.5155 10.7223 10.7223 10.8407 10.8407 11.2838 11.2838 11.2883 11.2883 11.6533 11.6533 11.9579 11.9579 13.6912 13.6912 k = 0.3184 0.5089-0.0000 ( 9844 PWs) bands (ev): -59.8620 -59.8620 -59.8570 -59.8570 -31.9566 -31.9566 -31.9385 -31.9385 -31.0108 -31.0108 -30.9701 -30.9701 -30.9559 -30.9559 -30.9477 -30.9477 -0.1358 -0.1358 1.4011 1.4011 1.6712 1.6712 1.6843 1.6843 5.4536 5.4536 6.3412 6.3412 7.2627 7.2627 7.2694 7.2694 7.4612 7.4612 9.3377 9.3377 10.0386 10.0386 10.3666 10.3666 10.5618 10.5618 10.5634 10.5634 10.7252 10.7252 10.8406 10.8406 11.3135 11.3135 11.3137 11.3137 11.5869 11.5869 11.9975 11.9975 13.7438 13.7438 k = 0.3275 0.5234-0.0000 ( 9832 PWs) bands (ev): -59.8624 -59.8624 -59.8557 -59.8557 -31.9577 -31.9577 -31.9375 -31.9375 -31.0132 -31.0132 -30.9674 -30.9674 -30.9564 -30.9564 -30.9470 -30.9470 -0.0404 -0.0404 1.3585 1.3585 1.6258 1.6258 1.6391 1.6391 5.3911 5.3911 6.4307 6.4307 7.0968 7.0968 7.3065 7.3065 7.4715 7.4715 9.4249 9.4249 10.0549 10.0549 10.3347 10.3347 10.6068 10.6068 10.6134 10.6134 10.7307 10.7307 10.8350 10.8350 11.3414 11.3414 11.3482 11.3482 11.5258 11.5258 12.0376 12.0376 13.7883 13.7883 k = 0.3366 0.5379-0.0000 ( 9828 PWs) bands (ev): -59.8634 -59.8634 -59.8543 -59.8543 -31.9588 -31.9588 -31.9365 -31.9365 -31.0153 -31.0153 -30.9649 -30.9649 -30.9570 -30.9570 -30.9464 -30.9464 0.0564 0.0564 1.3175 1.3175 1.5824 1.5824 1.5960 1.5960 5.3313 5.3313 6.5237 6.5237 6.9159 6.9159 7.3429 7.3429 7.4979 7.4979 9.5119 9.5119 10.0679 10.0679 10.3020 10.3020 10.6401 10.6401 10.6649 10.6649 10.7374 10.7374 10.8252 10.8252 11.3646 11.3646 11.3859 11.3859 11.4727 11.4727 12.0822 12.0822 13.8215 13.8215 k = 0.3457 0.5525-0.0000 ( 9832 PWs) bands (ev): -59.8634 -59.8634 -59.8546 -59.8546 -31.9600 -31.9600 -31.9355 -31.9355 -31.0176 -31.0176 -30.9624 -30.9624 -30.9574 -30.9574 -30.9461 -30.9461 0.1544 0.1544 1.2782 1.2782 1.5411 1.5411 1.5549 1.5549 5.2746 5.2746 6.6200 6.6200 6.7334 6.7334 7.3775 7.3775 7.5262 7.5262 9.5986 9.5986 10.0792 10.0792 10.2706 10.2706 10.6529 10.6529 10.7161 10.7161 10.7465 10.7465 10.8225 10.8225 11.3601 11.3601 11.4253 11.4253 11.4550 11.4550 12.1251 12.1251 13.8455 13.8455 k = 0.3548 0.5670-0.0000 ( 9816 PWs) bands (ev): -59.8625 -59.8625 -59.8542 -59.8542 -31.9611 -31.9611 -31.9344 -31.9344 -31.0198 -31.0198 -30.9596 -30.9596 -30.9577 -30.9577 -30.9457 -30.9457 0.2533 0.2533 1.2407 1.2407 1.5019 1.5019 1.5160 1.5160 5.2208 5.2208 6.5525 6.5525 6.7197 6.7197 7.4112 7.4112 7.5548 7.5548 9.6843 9.6843 10.0877 10.0877 10.2453 10.2453 10.6334 10.6334 10.7577 10.7577 10.7678 10.7678 10.8380 10.8380 11.3262 11.3262 11.4696 11.4696 11.4800 11.4800 12.1681 12.1681 13.8620 13.8620 k = 0.3639 0.5816-0.0000 ( 9800 PWs) bands (ev): -59.8622 -59.8622 -59.8532 -59.8532 -31.9621 -31.9621 -31.9334 -31.9334 -31.0218 -31.0218 -30.9580 -30.9580 -30.9572 -30.9572 -30.9451 -30.9451 0.3529 0.3529 1.2051 1.2051 1.4650 1.4650 1.4792 1.4792 5.1701 5.1701 6.3746 6.3746 6.8227 6.8227 7.4441 7.4441 7.5831 7.5831 9.7687 9.7687 10.0938 10.0938 10.2166 10.2166 10.5840 10.5840 10.7701 10.7701 10.8182 10.8182 10.8688 10.8688 11.2914 11.2914 11.5175 11.5175 11.5199 11.5199 12.2107 12.2107 13.8728 13.8728 k = 0.3730 0.5961-0.0000 ( 9820 PWs) bands (ev): -59.8638 -59.8638 -59.8532 -59.8532 -31.9632 -31.9632 -31.9328 -31.9328 -31.0238 -31.0238 -30.9585 -30.9585 -30.9554 -30.9554 -30.9448 -30.9448 0.4526 0.4526 1.1715 1.1715 1.4303 1.4303 1.4447 1.4447 5.1224 5.1224 6.2003 6.2003 6.9285 6.9285 7.4752 7.4752 7.6096 7.6096 9.8509 9.8509 10.0963 10.0963 10.1857 10.1857 10.5124 10.5124 10.7831 10.7831 10.8645 10.8645 10.9039 10.9039 11.2605 11.2605 11.5632 11.5632 11.5660 11.5660 12.2508 12.2508 13.8766 13.8766 k = 0.3821 0.6106-0.0000 ( 9824 PWs) bands (ev): -59.8641 -59.8641 -59.8532 -59.8532 -31.9642 -31.9642 -31.9320 -31.9320 -31.0257 -31.0257 -30.9588 -30.9588 -30.9533 -30.9533 -30.9444 -30.9444 0.5521 0.5521 1.1399 1.1399 1.3978 1.3978 1.4124 1.4124 5.0778 5.0778 6.0305 6.0305 7.0368 7.0368 7.5053 7.5053 7.6347 7.6347 9.9297 9.9297 10.0952 10.0952 10.1617 10.1617 10.4271 10.4271 10.7970 10.7970 10.9113 10.9113 10.9431 10.9431 11.2363 11.2363 11.6125 11.6125 11.6197 11.6197 12.2881 12.2881 13.8750 13.8750 k = 0.3912 0.6252-0.0000 ( 9824 PWs) bands (ev): -59.8644 -59.8644 -59.8529 -59.8529 -31.9651 -31.9651 -31.9312 -31.9312 -31.0274 -31.0274 -30.9592 -30.9592 -30.9513 -30.9513 -30.9441 -30.9441 0.6509 0.6509 1.1105 1.1105 1.3677 1.3677 1.3824 1.3824 5.0364 5.0364 5.8664 5.8664 7.1472 7.1472 7.5343 7.5343 7.6579 7.6579 10.0019 10.0019 10.0870 10.0870 10.1435 10.1435 10.3352 10.3352 10.8103 10.8103 10.9563 10.9563 10.9824 10.9824 11.2177 11.2177 11.6655 11.6655 11.6769 11.6769 12.3313 12.3313 13.8679 13.8679 k = 0.4003 0.6397-0.0000 ( 9832 PWs) bands (ev): -59.8647 -59.8647 -59.8533 -59.8533 -31.9661 -31.9661 -31.9306 -31.9306 -31.0291 -31.0291 -30.9595 -30.9595 -30.9495 -30.9495 -30.9438 -30.9438 0.7483 0.7483 1.0832 1.0832 1.3398 1.3398 1.3547 1.3547 4.9982 4.9982 5.7082 5.7082 7.2585 7.2585 7.5631 7.5631 7.6792 7.6792 10.0537 10.0537 10.0629 10.0629 10.1444 10.1444 10.2489 10.2489 10.8246 10.8246 10.9992 10.9992 11.0207 11.0207 11.2037 11.2037 11.7228 11.7228 11.7383 11.7383 12.3654 12.3654 13.8533 13.8533 k = 0.4094 0.6542-0.0000 ( 9840 PWs) bands (ev): -59.8649 -59.8649 -59.8536 -59.8536 -31.9670 -31.9670 -31.9299 -31.9299 -31.0308 -31.0308 -30.9598 -30.9598 -30.9478 -30.9478 -30.9435 -30.9435 0.8436 0.8436 1.0581 1.0581 1.3144 1.3144 1.3294 1.3294 4.9632 4.9632 5.5569 5.5569 7.3682 7.3682 7.5945 7.5945 7.6991 7.6991 10.0033 10.0033 10.0624 10.0624 10.1865 10.1865 10.1901 10.1901 10.8391 10.8391 11.0398 11.0398 11.0571 11.0571 11.1934 11.1934 11.7850 11.7850 11.8046 11.8046 12.3934 12.3934 13.8260 13.8260 k = 0.4185 0.6688-0.0000 ( 9848 PWs) bands (ev): -59.8651 -59.8651 -59.8540 -59.8540 -31.9679 -31.9679 -31.9294 -31.9294 -31.0322 -31.0322 -30.9601 -30.9601 -30.9462 -30.9462 -30.9434 -30.9434 0.9359 0.9359 1.0353 1.0353 1.2913 1.2913 1.3064 1.3064 4.9314 4.9314 5.4139 5.4139 7.4690 7.4690 7.6352 7.6352 7.7171 7.7171 9.9050 9.9050 10.0531 10.0531 10.1633 10.1633 10.2467 10.2467 10.8510 10.8510 11.0770 11.0770 11.0897 11.0897 11.1855 11.1855 11.8517 11.8517 11.8752 11.8752 12.4236 12.4236 13.7733 13.7733 k = 0.4276 0.6833-0.0000 ( 9852 PWs) bands (ev): -59.8650 -59.8650 -59.8544 -59.8544 -31.9686 -31.9686 -31.9288 -31.9288 -31.0335 -31.0335 -30.9603 -30.9603 -30.9447 -30.9447 -30.9433 -30.9433 1.0149 1.0149 1.0242 1.0242 1.2706 1.2706 1.2858 1.2858 4.9030 4.9030 5.2800 5.2800 7.5440 7.5440 7.7015 7.7015 7.7327 7.7327 9.7872 9.7872 10.0372 10.0372 10.1527 10.1527 10.3070 10.3070 10.8639 10.8639 11.1124 11.1124 11.1185 11.1185 11.1831 11.1831 11.9232 11.9232 11.9504 11.9504 12.4517 12.4517 13.6882 13.6882 k = 0.4367 0.6979-0.0000 ( 9836 PWs) bands (ev): -59.8640 -59.8640 -59.8542 -59.8542 -31.9692 -31.9692 -31.9282 -31.9282 -31.0346 -31.0346 -30.9603 -30.9603 -30.9433 -30.9433 -30.9430 -30.9430 0.9967 0.9967 1.1073 1.1073 1.2522 1.2522 1.2676 1.2676 4.8779 4.8779 5.1565 5.1565 7.5870 7.5870 7.7470 7.7470 7.8007 7.8007 9.6606 9.6606 10.0238 10.0238 10.1477 10.1477 10.3635 10.3635 10.8762 10.8762 11.1398 11.1398 11.1457 11.1457 11.1904 11.1904 12.0006 12.0006 12.0311 12.0311 12.4774 12.4774 13.5801 13.5801 k = 0.4458 0.7124-0.0000 ( 9844 PWs) bands (ev): -59.8648 -59.8648 -59.8541 -59.8541 -31.9697 -31.9697 -31.9279 -31.9279 -31.0355 -31.0355 -30.9606 -30.9606 -30.9428 -30.9428 -30.9422 -30.9422 0.9809 0.9809 1.1838 1.1838 1.2364 1.2364 1.2518 1.2518 4.8560 4.8560 5.0449 5.0449 7.6123 7.6123 7.7593 7.7593 7.9174 7.9174 9.5290 9.5290 10.0104 10.0104 10.1440 10.1440 10.4146 10.4146 10.8872 10.8872 11.1454 11.1454 11.1719 11.1719 11.2026 11.2026 12.0815 12.0815 12.1145 12.1145 12.5000 12.5000 13.4614 13.4614 k = 0.4458 0.7124-0.0000 ( 9844 PWs) bands (ev): -59.8648 -59.8648 -59.8541 -59.8541 -31.9697 -31.9697 -31.9279 -31.9279 -31.0355 -31.0355 -30.9606 -30.9606 -30.9428 -30.9428 -30.9422 -30.9422 0.9809 0.9809 1.1838 1.1838 1.2364 1.2364 1.2518 1.2518 4.8560 4.8560 5.0449 5.0449 7.6123 7.6123 7.7593 7.7593 7.9174 7.9174 9.5290 9.5290 10.0104 10.0104 10.1440 10.1440 10.4146 10.4146 10.8872 10.8872 11.1454 11.1454 11.1719 11.1719 11.2026 11.2026 12.0815 12.0815 12.1145 12.1145 12.5000 12.5000 13.4614 13.4614 k = 0.4410 0.7048 0.0144 ( 9848 PWs) bands (ev): -59.8654 -59.8654 -59.8537 -59.8537 -31.9694 -31.9694 -31.9282 -31.9282 -31.0350 -31.0350 -30.9607 -30.9607 -30.9429 -30.9429 -30.9428 -30.9428 0.9685 0.9685 1.1452 1.1452 1.2485 1.2485 1.2761 1.2761 4.8702 4.8702 5.1030 5.1030 7.5846 7.5846 7.7347 7.7347 7.8882 7.8882 9.5999 9.5999 10.0156 10.0156 10.1430 10.1430 10.3843 10.3843 10.8781 10.8781 11.1416 11.1416 11.1594 11.1594 11.1940 11.1940 12.0383 12.0383 12.0699 12.0699 12.4927 12.4927 13.5212 13.5212 k = 0.4362 0.6971 0.0288 ( 9854 PWs) bands (ev): -59.8658 -59.8658 -59.8538 -59.8538 -31.9691 -31.9691 -31.9285 -31.9285 -31.0345 -31.0345 -30.9607 -30.9607 -30.9436 -30.9436 -30.9429 -30.9429 0.9288 0.9288 1.1062 1.1062 1.2543 1.2543 1.3358 1.3358 4.8920 4.8920 5.1666 5.1666 7.5135 7.5135 7.7027 7.7027 7.9063 7.9063 9.6711 9.6711 10.0213 10.0213 10.1428 10.1428 10.3443 10.3443 10.8591 10.8591 11.1355 11.1355 11.1506 11.1506 11.1876 11.1876 11.9966 11.9966 12.0268 12.0268 12.4902 12.4902 13.5691 13.5691 k = 0.4314 0.6895 0.0432 ( 9852 PWs) bands (ev): -59.8654 -59.8654 -59.8540 -59.8540 -31.9688 -31.9688 -31.9286 -31.9286 -31.0340 -31.0340 -30.9605 -30.9605 -30.9442 -30.9442 -30.9431 -30.9431 0.8782 0.8782 1.0672 1.0672 1.2567 1.2567 1.4115 1.4115 4.9211 4.9211 5.2355 5.2355 7.4105 7.4105 7.6864 7.6864 7.9384 7.9384 9.7411 9.7411 10.0269 10.0269 10.1419 10.1419 10.2962 10.2962 10.8313 10.8313 11.1262 11.1262 11.1499 11.1499 11.1856 11.1856 11.9581 11.9581 11.9878 11.9878 12.4916 12.4916 13.6017 13.6017 k = 0.4267 0.6819 0.0575 ( 9847 PWs) bands (ev): -59.8650 -59.8650 -59.8540 -59.8540 -31.9685 -31.9685 -31.9288 -31.9288 -31.0334 -31.0334 -30.9603 -30.9603 -30.9448 -30.9448 -30.9432 -30.9432 0.8241 0.8241 1.0284 1.0284 1.2568 1.2568 1.4946 1.4946 4.9574 4.9574 5.3093 5.3093 7.2942 7.2942 7.6784 7.6784 7.9736 7.9736 9.8079 9.8079 10.0327 10.0327 10.1408 10.1408 10.2427 10.2427 10.7971 10.7971 11.1140 11.1140 11.1522 11.1522 11.1859 11.1859 11.9219 11.9219 11.9528 11.9528 12.4973 12.4973 13.6181 13.6181 k = 0.4219 0.6742 0.0719 ( 9850 PWs) bands (ev): -59.8654 -59.8654 -59.8539 -59.8539 -31.9681 -31.9681 -31.9292 -31.9292 -31.0327 -31.0327 -30.9603 -30.9603 -30.9456 -30.9456 -30.9433 -30.9433 0.7696 0.7696 0.9900 0.9900 1.2550 1.2550 1.5818 1.5818 5.0006 5.0006 5.3878 5.3878 7.1727 7.1727 7.6737 7.6737 8.0091 8.0091 9.8663 9.8663 10.0348 10.0348 10.1381 10.1381 10.1911 10.1911 10.7588 10.7588 11.0996 11.0996 11.1535 11.1535 11.1887 11.1887 11.8871 11.8871 11.9214 11.9214 12.5071 12.5071 13.6220 13.6220 k = 0.4171 0.6666 0.0863 ( 9852 PWs) bands (ev): -59.8656 -59.8656 -59.8539 -59.8539 -31.9677 -31.9677 -31.9295 -31.9295 -31.0320 -31.0320 -30.9602 -30.9602 -30.9464 -30.9464 -30.9434 -30.9434 0.7159 0.7159 0.9521 0.9521 1.2515 1.2515 1.6717 1.6717 5.0504 5.0504 5.4706 5.4706 7.0489 7.0489 7.6712 7.6712 8.0438 8.0438 9.9049 9.9049 10.0358 10.0358 10.1189 10.1189 10.1688 10.1688 10.7165 10.7165 11.0856 11.0856 11.1531 11.1531 11.1945 11.1945 11.8540 11.8540 11.8940 11.8940 12.5206 12.5206 13.6182 13.6182 k = 0.4123 0.6590 0.1007 ( 9852 PWs) bands (ev): -59.8656 -59.8656 -59.8538 -59.8538 -31.9673 -31.9673 -31.9298 -31.9298 -31.0313 -31.0313 -30.9601 -30.9601 -30.9473 -30.9473 -30.9436 -30.9436 0.6639 0.6639 0.9149 0.9149 1.2466 1.2466 1.7632 1.7632 5.1066 5.1066 5.5575 5.5575 6.9247 6.9247 7.6700 7.6700 8.0773 8.0773 9.9051 9.9051 10.0372 10.0372 10.0910 10.0910 10.1854 10.1854 10.6702 10.6702 11.0715 11.0715 11.1524 11.1524 11.2026 11.2026 11.8216 11.8216 11.8706 11.8706 12.5386 12.5386 13.6099 13.6099 k = 0.4076 0.6514 0.1151 ( 9856 PWs) bands (ev): -59.8663 -59.8663 -59.8535 -59.8535 -31.9669 -31.9669 -31.9302 -31.9302 -31.0304 -31.0304 -30.9601 -30.9601 -30.9482 -30.9482 -30.9437 -30.9437 0.6137 0.6137 0.8786 0.8786 1.2404 1.2404 1.8558 1.8558 5.1687 5.1687 5.6480 5.6480 6.8011 6.8011 7.6698 7.6698 8.1093 8.1093 9.8647 9.8647 10.0355 10.0355 10.0783 10.0783 10.2216 10.2216 10.6229 10.6229 11.0552 11.0552 11.1512 11.1512 11.2112 11.2112 11.7894 11.7894 11.8510 11.8510 12.5593 12.5593 13.5992 13.5992 k = 0.4028 0.6437 0.1295 ( 9859 PWs) bands (ev): -59.8663 -59.8663 -59.8537 -59.8537 -31.9665 -31.9665 -31.9306 -31.9306 -31.0297 -31.0297 -30.9599 -30.9599 -30.9492 -30.9492 -30.9439 -30.9439 0.5656 0.5656 0.8434 0.8434 1.2332 1.2332 1.9488 1.9488 5.2367 5.2367 5.7415 5.7415 6.6788 6.6788 7.6708 7.6708 8.1391 8.1391 9.8037 9.8037 10.0252 10.0252 10.0761 10.0761 10.2674 10.2674 10.5750 10.5750 11.0389 11.0389 11.1527 11.1527 11.2225 11.2225 11.7568 11.7568 11.8357 11.8357 12.5809 12.5809 13.5857 13.5857 k = 0.3980 0.6361 0.1439 ( 9859 PWs) bands (ev): -59.8659 -59.8659 -59.8542 -59.8542 -31.9661 -31.9661 -31.9309 -31.9309 -31.0289 -31.0289 -30.9597 -30.9597 -30.9500 -30.9500 -30.9441 -30.9441 0.5198 0.5198 0.8093 0.8093 1.2253 1.2253 2.0417 2.0417 5.3100 5.3100 5.8370 5.8370 6.5598 6.5598 7.6729 7.6729 8.1665 8.1665 9.7356 9.7356 10.0084 10.0084 10.0777 10.0777 10.3147 10.3147 10.5281 10.5281 11.0220 11.0220 11.1582 11.1582 11.2346 11.2346 11.7243 11.7243 11.8238 11.8238 12.6010 12.6010 13.5687 13.5687 k = 0.3932 0.6285 0.1582 ( 9863 PWs) bands (ev): -59.8660 -59.8660 -59.8543 -59.8543 -31.9656 -31.9656 -31.9313 -31.9313 -31.0281 -31.0281 -30.9596 -30.9596 -30.9510 -30.9510 -30.9443 -30.9443 0.4764 0.4764 0.7766 0.7766 1.2170 1.2170 2.1338 2.1338 5.3882 5.3882 5.9328 5.9328 6.4463 6.4463 7.6763 7.6763 8.1911 8.1911 9.6660 9.6660 9.9862 9.9862 10.0774 10.0774 10.3560 10.3560 10.4859 10.4859 11.0032 11.0032 11.1683 11.1683 11.2448 11.2448 11.6924 11.6924 11.8155 11.8155 12.6220 12.6220 13.5470 13.5470 k = 0.3885 0.6208 0.1726 ( 9866 PWs) bands (ev): -59.8664 -59.8664 -59.8543 -59.8543 -31.9651 -31.9651 -31.9317 -31.9317 -31.0272 -31.0272 -30.9594 -30.9594 -30.9521 -30.9521 -30.9445 -30.9445 0.4355 0.4355 0.7453 0.7453 1.2084 1.2084 2.2244 2.2244 5.4710 5.4710 6.0223 6.0223 6.3455 6.3455 7.6809 7.6809 8.2135 8.2135 9.5980 9.5980 9.9592 9.9592 10.0735 10.0735 10.3828 10.3828 10.4534 10.4534 10.9823 10.9823 11.1847 11.1847 11.2564 11.2564 11.6602 11.6602 11.8108 11.8108 12.6406 12.6406 13.5214 13.5214 k = 0.3837 0.6132 0.1870 ( 9866 PWs) bands (ev): -59.8667 -59.8667 -59.8540 -59.8540 -31.9646 -31.9646 -31.9321 -31.9321 -31.0262 -31.0262 -30.9593 -30.9593 -30.9532 -30.9532 -30.9446 -30.9446 0.3970 0.3970 0.7155 0.7155 1.1998 1.1998 2.3127 2.3127 5.5578 5.5578 6.0764 6.0764 6.2874 6.2874 7.6867 7.6867 8.2333 8.2333 9.5337 9.5337 9.9270 9.9270 10.0657 10.0657 10.3781 10.3781 10.4456 10.4456 10.9610 10.9610 11.2079 11.2079 11.2681 11.2681 11.6292 11.6292 11.8095 11.8095 12.6559 12.6559 13.4890 13.4890 k = 0.3789 0.6056 0.2014 ( 9866 PWs) bands (ev): -59.8667 -59.8667 -59.8540 -59.8540 -31.9641 -31.9641 -31.9326 -31.9326 -31.0253 -31.0253 -30.9592 -30.9592 -30.9543 -30.9543 -30.9448 -30.9448 0.3611 0.3611 0.6874 0.6874 1.1915 1.1915 2.3976 2.3976 5.6481 5.6481 6.0415 6.0415 6.3265 6.3265 7.6934 7.6934 8.2500 8.2500 9.4737 9.4737 9.8900 9.8900 10.0547 10.0547 10.3539 10.3539 10.4510 10.4510 10.9375 10.9375 11.2394 11.2394 11.2811 11.2811 11.5979 11.5979 11.8108 11.8108 12.6643 12.6643 13.4489 13.4489 k = 0.3741 0.5979 0.2158 ( 9859 PWs) bands (ev): -59.8661 -59.8661 -59.8541 -59.8541 -31.9636 -31.9636 -31.9329 -31.9329 -31.0243 -31.0243 -30.9589 -30.9589 -30.9553 -30.9553 -30.9450 -30.9450 0.3277 0.3277 0.6609 0.6609 1.1836 1.1836 2.4780 2.4780 5.7406 5.7406 5.9629 5.9629 6.4196 6.4196 7.7014 7.7014 8.2635 8.2635 9.4191 9.4191 9.8486 9.8486 10.0387 10.0387 10.3307 10.3307 10.4499 10.4499 10.9136 10.9136 11.2765 11.2765 11.2964 11.2964 11.5687 11.5687 11.8145 11.8145 12.6656 12.6656 13.4026 13.4026 k = 0.3694 0.5903 0.2302 ( 9857 PWs) bands (ev): -59.8656 -59.8656 -59.8544 -59.8544 -31.9631 -31.9631 -31.9333 -31.9333 -31.0234 -31.0234 -30.9587 -30.9587 -30.9564 -30.9564 -30.9452 -30.9452 0.2970 0.2970 0.6363 0.6363 1.1764 1.1764 2.5526 2.5526 5.8233 5.8233 5.8926 5.8926 6.5273 6.5273 7.7109 7.7109 8.2734 8.2734 9.3701 9.3701 9.8023 9.8023 10.0169 10.0169 10.3129 10.3129 10.4382 10.4382 10.8874 10.8874 11.3092 11.3092 11.3195 11.3195 11.5428 11.5428 11.8203 11.8203 12.6556 12.6556 13.3534 13.3534 k = 0.3646 0.5827 0.2446 ( 9861 PWs) bands (ev): -59.8656 -59.8656 -59.8548 -59.8548 -31.9626 -31.9626 -31.9337 -31.9337 -31.0224 -31.0224 -30.9585 -30.9585 -30.9575 -30.9575 -30.9455 -30.9455 0.2688 0.2688 0.6134 0.6134 1.1700 1.1700 2.6199 2.6199 5.7880 5.7880 5.9490 5.9490 6.6407 6.6407 7.7217 7.7217 8.2798 8.2798 9.3274 9.3274 9.7514 9.7514 9.9900 9.9900 10.3004 10.3004 10.4152 10.4152 10.8590 10.8590 11.3279 11.3279 11.3518 11.3518 11.5271 11.5271 11.8274 11.8274 12.6348 12.6348 13.3052 13.3052 k = 0.3598 0.5751 0.2589 ( 9861 PWs) bands (ev): -59.8653 -59.8653 -59.8551 -59.8551 -31.9620 -31.9620 -31.9341 -31.9341 -31.0214 -31.0214 -30.9588 -30.9588 -30.9581 -30.9581 -30.9457 -30.9457 0.2433 0.2433 0.5924 0.5924 1.1646 1.1646 2.6782 2.6782 5.7219 5.7219 6.0480 6.0480 6.7572 6.7572 7.7338 7.7338 8.2825 8.2825 9.2910 9.2910 9.6957 9.6957 9.9599 9.9599 10.2921 10.2921 10.3826 10.3826 10.8303 10.8303 11.3466 11.3466 11.3663 11.3663 11.5356 11.5356 11.8369 11.8369 12.6023 12.6023 13.2623 13.2623 k = 0.3550 0.5674 0.2733 ( 9862 PWs) bands (ev): -59.8649 -59.8649 -59.8555 -59.8555 -31.9615 -31.9615 -31.9346 -31.9346 -31.0203 -31.0203 -30.9599 -30.9599 -30.9579 -30.9579 -30.9460 -30.9460 0.2204 0.2204 0.5733 0.5733 1.1604 1.1604 2.7259 2.7259 5.6660 5.6660 6.1512 6.1512 6.8759 6.8759 7.7477 7.7477 8.2817 8.2817 9.2611 9.2611 9.6367 9.6367 9.9268 9.9268 10.2856 10.2856 10.3424 10.3424 10.8012 10.8012 11.3520 11.3520 11.3707 11.3707 11.5689 11.5689 11.8486 11.8486 12.5592 12.5592 13.2259 13.2259 k = 0.3503 0.5598 0.2877 ( 9864 PWs) bands (ev): -59.8652 -59.8652 -59.8554 -59.8554 -31.9609 -31.9609 -31.9351 -31.9351 -31.0192 -31.0192 -30.9612 -30.9612 -30.9578 -30.9578 -30.9462 -30.9462 0.2002 0.2002 0.5560 0.5560 1.1574 1.1574 2.7613 2.7613 5.6242 5.6242 6.2559 6.2559 6.9959 6.9959 7.7634 7.7634 8.2778 8.2778 9.2373 9.2373 9.5745 9.5745 9.8895 9.8895 10.2667 10.2667 10.3090 10.3090 10.7707 10.7707 11.3276 11.3276 11.3914 11.3914 11.6188 11.6188 11.8620 11.8620 12.5079 12.5079 13.1970 13.1970 k = 0.3455 0.5522 0.3021 ( 9870 PWs) bands (ev): -59.8650 -59.8650 -59.8561 -59.8561 -31.9604 -31.9604 -31.9356 -31.9356 -31.0182 -31.0182 -30.9625 -30.9625 -30.9576 -30.9576 -30.9465 -30.9465 0.1826 0.1826 0.5407 0.5407 1.1559 1.1559 2.7829 2.7829 5.5986 5.5986 6.3615 6.3615 7.1164 7.1164 7.7806 7.7806 8.2707 8.2707 9.2187 9.2187 9.5099 9.5099 9.8513 9.8513 10.2168 10.2168 10.3018 10.3018 10.7395 10.7395 11.2944 11.2944 11.4169 11.4169 11.6736 11.6736 11.8765 11.8765 12.4496 12.4496 13.1731 13.1731 k = 0.3407 0.5445 0.3165 ( 9865 PWs) bands (ev): -59.8643 -59.8643 -59.8564 -59.8564 -31.9598 -31.9598 -31.9360 -31.9360 -31.0170 -31.0170 -30.9637 -30.9637 -30.9572 -30.9572 -30.9468 -30.9468 0.1677 0.1677 0.5273 0.5273 1.1560 1.1560 2.7898 2.7898 5.5906 5.5906 6.4676 6.4676 7.2372 7.2372 7.7999 7.7999 8.2613 8.2613 9.2055 9.2055 9.4428 9.4428 9.8127 9.8127 10.1532 10.1532 10.3036 10.3036 10.7075 10.7075 11.2579 11.2579 11.4458 11.4458 11.7319 11.7319 11.8920 11.8920 12.3898 12.3898 13.1547 13.1547 k = 0.3359 0.5369 0.3309 ( 9869 PWs) bands (ev): -59.8641 -59.8641 -59.8569 -59.8569 -31.9593 -31.9593 -31.9365 -31.9365 -31.0159 -31.0159 -30.9650 -30.9650 -30.9569 -30.9569 -30.9471 -30.9471 0.1554 0.1554 0.5158 0.5158 1.1576 1.1576 2.7816 2.7816 5.6007 5.6007 6.5731 6.5731 7.3573 7.3573 7.8210 7.8210 8.2498 8.2498 9.1963 9.1963 9.3748 9.3748 9.7723 9.7723 10.0823 10.0823 10.3079 10.3079 10.6743 10.6743 11.2181 11.2181 11.4764 11.4764 11.7874 11.7874 11.9100 11.9100 12.3290 12.3290 13.1397 13.1397 k = 0.3312 0.5293 0.3453 ( 9869 PWs) bands (ev): -59.8639 -59.8639 -59.8571 -59.8571 -31.9587 -31.9587 -31.9371 -31.9371 -31.0146 -31.0146 -30.9663 -30.9663 -30.9567 -30.9567 -30.9473 -30.9473 0.1458 0.1458 0.5062 0.5062 1.1610 1.1610 2.7584 2.7584 5.6291 5.6291 6.6776 6.6776 7.4758 7.4758 7.8447 7.8447 8.2372 8.2372 9.1901 9.1901 9.3060 9.3060 9.7307 9.7307 10.0068 10.0068 10.3137 10.3137 10.6401 10.6401 11.1766 11.1766 11.5094 11.5094 11.8418 11.8418 11.9303 11.9303 12.2701 12.2701 13.1275 13.1275 k = 0.3264 0.5216 0.3596 ( 9866 PWs) bands (ev): -59.8637 -59.8637 -59.8571 -59.8571 -31.9580 -31.9580 -31.9376 -31.9376 -31.0134 -31.0134 -30.9677 -30.9677 -30.9564 -30.9564 -30.9476 -30.9476 0.1389 0.1389 0.4983 0.4983 1.1663 1.1663 2.7212 2.7212 5.6751 5.6751 6.7803 6.7803 7.5916 7.5916 7.8708 7.8708 8.2241 8.2241 9.1851 9.1851 9.2384 9.2384 9.6882 9.6882 9.9287 9.9287 10.3204 10.3204 10.6046 10.6046 11.1337 11.1337 11.5439 11.5439 11.8928 11.8928 11.9540 11.9540 12.2150 12.2150 13.1176 13.1176 k = 0.3216 0.5140 0.3740 ( 9866 PWs) bands (ev): -59.8639 -59.8639 -59.8569 -59.8569 -31.9573 -31.9573 -31.9382 -31.9382 -31.0120 -31.0120 -30.9691 -30.9691 -30.9562 -30.9562 -30.9478 -30.9478 0.1347 0.1347 0.4921 0.4921 1.1734 1.1734 2.6712 2.6712 5.7374 5.7374 6.8804 6.8804 7.7029 7.7029 7.9003 7.9003 8.2113 8.2113 9.1582 9.1582 9.1940 9.1940 9.6438 9.6438 9.8484 9.8484 10.3277 10.3277 10.5675 10.5675 11.0882 11.0882 11.5818 11.5818 11.9357 11.9357 11.9856 11.9856 12.1645 12.1645 13.1098 13.1098 k = 0.3168 0.5064 0.3884 ( 9865 PWs) bands (ev): -59.8634 -59.8634 -59.8573 -59.8573 -31.9567 -31.9567 -31.9387 -31.9387 -31.0107 -31.0107 -30.9705 -30.9705 -30.9559 -30.9559 -30.9481 -30.9481 0.1331 0.1331 0.4875 0.4875 1.1824 1.1824 2.6102 2.6102 5.8146 5.8146 6.9770 6.9770 7.8058 7.8058 7.9347 7.9347 8.1998 8.1998 9.0921 9.0921 9.1885 9.1885 9.6004 9.6004 9.7696 9.7696 10.3357 10.3357 10.5299 10.5299 11.0406 11.0406 11.6220 11.6220 11.9676 11.9676 12.0247 12.0247 12.1203 12.1203 13.1039 13.1039 k = 0.3121 0.4987 0.4028 ( 9862 PWs) bands (ev): -59.8629 -59.8629 -59.8576 -59.8576 -31.9561 -31.9561 -31.9392 -31.9392 -31.0094 -31.0094 -30.9718 -30.9718 -30.9556 -30.9556 -30.9484 -30.9484 0.1342 0.1342 0.4844 0.4844 1.1935 1.1935 2.5399 2.5399 5.9050 5.9050 7.0694 7.0694 7.8918 7.8918 7.9793 7.9793 8.1914 8.1914 9.0235 9.0235 9.1863 9.1863 9.5566 9.5566 9.6937 9.6937 10.3434 10.3434 10.4913 10.4913 10.9913 10.9913 11.6640 11.6640 11.9947 11.9947 12.0587 12.0587 12.0910 12.0910 13.0997 13.0997 k = 0.3073 0.4911 0.4172 ( 9867 PWs) bands (ev): -59.8629 -59.8629 -59.8579 -59.8579 -31.9555 -31.9555 -31.9399 -31.9399 -31.0081 -31.0081 -30.9733 -30.9733 -30.9554 -30.9554 -30.9487 -30.9487 0.1379 0.1379 0.4826 0.4826 1.2066 1.2066 2.4621 2.4621 6.0069 6.0069 7.1563 7.1563 7.9503 7.9503 8.0388 8.0388 8.1901 8.1901 8.9549 8.9549 9.1839 9.1839 9.5121 9.5121 9.6244 9.6244 10.3487 10.3487 10.4521 10.4521 10.9415 10.9415 11.7050 11.7050 12.0184 12.0184 12.0423 12.0423 12.1213 12.1213 13.0969 13.0969 k = 0.3025 0.4835 0.4316 ( 9861 PWs) bands (ev): -59.8627 -59.8627 -59.8577 -59.8577 -31.9547 -31.9547 -31.9404 -31.9404 -31.0067 -31.0067 -30.9747 -30.9747 -30.9551 -30.9551 -30.9489 -30.9489 0.1443 0.1443 0.4819 0.4819 1.2217 1.2217 2.3787 2.3787 6.1189 6.1189 7.2370 7.2370 7.9884 7.9884 8.0941 8.0941 8.2049 8.2049 8.8886 8.8886 9.1801 9.1801 9.4674 9.4674 9.5647 9.5647 10.3477 10.3477 10.4190 10.4190 10.8923 10.8923 11.7467 11.7467 12.0113 12.0113 12.0514 12.0514 12.1648 12.1648 13.0954 13.0954 k = 0.2977 0.4759 0.4460 ( 9865 PWs) bands (ev): -59.8626 -59.8626 -59.8581 -59.8581 -31.9541 -31.9541 -31.9411 -31.9411 -31.0053 -31.0053 -30.9762 -30.9762 -30.9548 -30.9548 -30.9492 -30.9492 0.1534 0.1534 0.4819 0.4819 1.2390 1.2390 2.2912 2.2912 6.2394 6.2394 7.3106 7.3106 8.0137 8.0137 8.1274 8.1274 8.2410 8.2410 8.8239 8.8239 9.1748 9.1748 9.4240 9.4240 9.5166 9.5166 10.3277 10.3277 10.4026 10.4026 10.8417 10.8417 11.7879 11.7879 11.9903 11.9903 12.0803 12.0803 12.2077 12.2077 13.0893 13.0893 k = 0.2930 0.4682 0.4603 ( 9867 PWs) bands (ev): -59.8621 -59.8621 -59.8588 -59.8588 -31.9535 -31.9535 -31.9416 -31.9416 -31.0040 -31.0040 -30.9776 -30.9776 -30.9545 -30.9545 -30.9496 -30.9496 0.1650 0.1650 0.4823 0.4823 1.2584 1.2584 2.2013 2.2013 6.3671 6.3671 7.3765 7.3765 8.0261 8.0261 8.1505 8.1505 8.2814 8.2814 8.7622 8.7622 9.1698 9.1698 9.3836 9.3836 9.4826 9.4826 10.2890 10.2890 10.4034 10.4034 10.7917 10.7917 11.8274 11.8274 11.9751 11.9751 12.1134 12.1134 12.2492 12.2492 13.0530 13.0530 k = 0.2882 0.4606 0.4747 ( 9873 PWs) bands (ev): -59.8626 -59.8626 -59.8588 -59.8588 -31.9528 -31.9528 -31.9423 -31.9423 -31.0026 -31.0026 -30.9792 -30.9792 -30.9543 -30.9543 -30.9498 -30.9498 0.1793 0.1793 0.4827 0.4827 1.2799 1.2799 2.1105 2.1105 6.5008 6.5008 7.4340 7.4340 8.0268 8.0268 8.1713 8.1713 8.3120 8.3120 8.7048 8.7048 9.1677 9.1677 9.3446 9.3446 9.4639 9.4639 10.2416 10.2416 10.4096 10.4096 10.7446 10.7446 11.8635 11.8635 11.9635 11.9635 12.1511 12.1511 12.2912 12.2912 12.9894 12.9894 k = 0.2834 0.4530 0.4891 ( 9873 PWs) bands (ev): -59.8622 -59.8622 -59.8592 -59.8592 -31.9522 -31.9522 -31.9429 -31.9429 -31.0012 -31.0012 -30.9806 -30.9806 -30.9541 -30.9541 -30.9501 -30.9501 0.1962 0.1962 0.4826 0.4826 1.3035 1.3035 2.0200 2.0200 6.6394 6.6394 7.4825 7.4825 8.0196 8.0196 8.1821 8.1821 8.3337 8.3337 8.6519 8.6519 9.1693 9.1693 9.3088 9.3088 9.4626 9.4626 10.1918 10.1918 10.4187 10.4187 10.6986 10.6986 11.8952 11.8952 11.9576 11.9576 12.1938 12.1938 12.3335 12.3335 12.9228 12.9228 k = 0.2786 0.4453 0.5035 ( 9871 PWs) bands (ev): -59.8620 -59.8620 -59.8593 -59.8593 -31.9515 -31.9515 -31.9436 -31.9436 -30.9998 -30.9998 -30.9821 -30.9821 -30.9538 -30.9538 -30.9504 -30.9504 0.2157 0.2157 0.4811 0.4811 1.3292 1.3292 1.9316 1.9316 6.7815 6.7815 7.5217 7.5217 8.0073 8.0073 8.1715 8.1715 8.3552 8.3552 8.6043 8.6043 9.1740 9.1740 9.2765 9.2765 9.4788 9.4788 10.1389 10.1389 10.4281 10.4281 10.6561 10.6561 11.9214 11.9214 11.9555 11.9555 12.2412 12.2412 12.3758 12.3758 12.8580 12.8580 k = 0.2739 0.4377 0.5179 ( 9865 PWs) bands (ev): -59.8614 -59.8614 -59.8594 -59.8594 -31.9508 -31.9508 -31.9441 -31.9441 -30.9983 -30.9983 -30.9835 -30.9835 -30.9534 -30.9534 -30.9506 -30.9506 0.2378 0.2378 0.4774 0.4774 1.3571 1.3571 1.8465 1.8465 6.9263 6.9263 7.5512 7.5512 7.9914 7.9914 8.1362 8.1362 8.3813 8.3813 8.5625 8.5625 9.1781 9.1781 9.2476 9.2476 9.5117 9.5117 10.0847 10.0847 10.4378 10.4378 10.6165 10.6165 11.9412 11.9412 11.9596 11.9596 12.2929 12.2929 12.4189 12.4189 12.7961 12.7961 k = 0.2691 0.4301 0.5323 ( 9862 PWs) bands (ev): -59.8612 -59.8612 -59.8594 -59.8594 -31.9501 -31.9501 -31.9448 -31.9448 -30.9969 -30.9969 -30.9850 -30.9850 -30.9531 -30.9531 -30.9509 -30.9509 0.2625 0.2625 0.4705 0.4705 1.3870 1.3870 1.7663 1.7663 7.0719 7.0719 7.5703 7.5703 7.9721 7.9721 8.0825 8.0825 8.4084 8.4084 8.5278 8.5278 9.1800 9.1800 9.2222 9.2222 9.5579 9.5579 10.0293 10.0293 10.4482 10.4482 10.5810 10.5810 11.9518 11.9518 11.9691 11.9691 12.3458 12.3458 12.4621 12.4621 12.7396 12.7396 k = 0.2643 0.4224 0.5467 ( 9862 PWs) bands (ev): -59.8610 -59.8610 -59.8596 -59.8596 -31.9494 -31.9494 -31.9454 -31.9454 -30.9954 -30.9954 -30.9865 -30.9865 -30.9528 -30.9528 -30.9512 -30.9512 0.2897 0.2897 0.4591 0.4591 1.4190 1.4190 1.6928 1.6928 7.2160 7.2160 7.5788 7.5788 7.9492 7.9492 8.0194 8.0194 8.4325 8.4325 8.5007 8.5007 9.1795 9.1795 9.2021 9.2021 9.6136 9.6136 9.9724 9.9724 10.4579 10.4579 10.5498 10.5498 11.9585 11.9585 11.9778 11.9778 12.4005 12.4005 12.5060 12.5060 12.6870 12.6870 k = 0.2595 0.4148 0.5610 ( 9872 PWs) bands (ev): -59.8612 -59.8612 -59.8602 -59.8602 -31.9488 -31.9488 -31.9462 -31.9462 -30.9940 -30.9940 -30.9881 -30.9881 -30.9526 -30.9526 -30.9515 -30.9515 0.3194 0.3194 0.4421 0.4421 1.4530 1.4530 1.6274 1.6274 7.3537 7.3537 7.5763 7.5763 7.9197 7.9197 7.9582 7.9582 8.4497 8.4497 8.4822 8.4822 9.1773 9.1773 9.1875 9.1875 9.6741 9.6741 9.9144 9.9144 10.4677 10.4677 10.5234 10.5234 11.9639 11.9639 11.9823 11.9823 12.4521 12.4521 12.5462 12.5462 12.6423 12.6423 k = 0.2548 0.4072 0.5754 ( 9874 PWs) bands (ev): -59.8612 -59.8612 -59.8603 -59.8603 -31.9481 -31.9481 -31.9469 -31.9469 -30.9925 -30.9925 -30.9896 -30.9896 -30.9524 -30.9524 -30.9518 -30.9518 0.3517 0.3517 0.4182 0.4182 1.4891 1.4891 1.5718 1.5718 7.4728 7.4728 7.5635 7.5635 7.8832 7.8832 7.9143 7.9143 8.4594 8.4594 8.4721 8.4721 9.1754 9.1754 9.1790 9.1790 9.7364 9.7364 9.8560 9.8560 10.4779 10.4779 10.5031 10.5031 11.9702 11.9702 11.9829 11.9829 12.4985 12.4985 12.5638 12.5638 12.6276 12.6276 k = 0.2500 0.3996 0.5898 ( 9872 PWs) bands (ev): -59.8607 -59.8607 -59.8607 -59.8607 -31.9475 -31.9475 -31.9475 -31.9475 -30.9910 -30.9910 -30.9910 -30.9910 -30.9521 -30.9521 -30.9521 -30.9521 0.3864 0.3864 0.3864 0.3864 1.5270 1.5270 1.5271 1.5271 7.5407 7.5407 7.5407 7.5407 7.8803 7.8803 7.8803 7.8803 8.4656 8.4656 8.4656 8.4656 9.1759 9.1759 9.1759 9.1759 9.7971 9.7971 9.7971 9.7971 10.4893 10.4893 10.4893 10.4893 11.9771 11.9771 11.9771 11.9771 12.5375 12.5375 12.5375 12.5376 12.6612 12.6612 k = 0.2500 0.3996 0.5898 ( 9872 PWs) bands (ev): -59.8607 -59.8607 -59.8607 -59.8607 -31.9475 -31.9475 -31.9475 -31.9475 -30.9910 -30.9910 -30.9910 -30.9910 -30.9521 -30.9521 -30.9521 -30.9521 0.3864 0.3864 0.3864 0.3864 1.5270 1.5270 1.5271 1.5271 7.5407 7.5407 7.5407 7.5407 7.8803 7.8803 7.8803 7.8803 8.4656 8.4656 8.4656 8.4656 9.1759 9.1759 9.1759 9.1759 9.7971 9.7971 9.7971 9.7971 10.4893 10.4893 10.4893 10.4893 11.9771 11.9771 11.9771 11.9771 12.5375 12.5375 12.5375 12.5375 12.6612 12.6612 k = 0.2400 0.4058 0.5780 ( 9874 PWs) bands (ev): -59.8608 -59.8608 -59.8608 -59.8608 -31.9475 -31.9475 -31.9475 -31.9475 -30.9910 -30.9910 -30.9910 -30.9910 -30.9521 -30.9521 -30.9521 -30.9521 0.3839 0.3839 0.3842 0.3842 1.5310 1.5310 1.5315 1.5315 7.5017 7.5017 7.5189 7.5189 7.8972 7.8972 7.9137 7.9137 8.4650 8.4650 8.4665 8.4665 9.1777 9.1777 9.1791 9.1791 9.7932 9.7932 9.7997 9.7997 10.4878 10.4878 10.4956 10.4956 11.9739 11.9739 11.9786 11.9786 12.5351 12.5351 12.5361 12.5361 12.6562 12.6562 k = 0.2300 0.4121 0.5662 ( 9872 PWs) bands (ev): -59.8607 -59.8607 -59.8607 -59.8607 -31.9475 -31.9475 -31.9475 -31.9475 -30.9910 -30.9910 -30.9910 -30.9910 -30.9520 -30.9520 -30.9520 -30.9520 0.3768 0.3768 0.3774 0.3774 1.5431 1.5431 1.5442 1.5442 7.4240 7.4240 7.4494 7.4494 7.9511 7.9511 7.9743 7.9743 8.4647 8.4647 8.4680 8.4680 9.1861 9.1861 9.1889 9.1889 9.7881 9.7881 9.8009 9.8009 10.4927 10.4927 10.5080 10.5080 11.9680 11.9680 11.9773 11.9773 12.5272 12.5272 12.5299 12.5299 12.6505 12.6505 k = 0.2200 0.4183 0.5544 ( 9872 PWs) bands (ev): -59.8607 -59.8607 -59.8607 -59.8607 -31.9475 -31.9475 -31.9475 -31.9475 -30.9910 -30.9910 -30.9910 -30.9910 -30.9521 -30.9521 -30.9521 -30.9521 0.3655 0.3655 0.3663 0.3663 1.5631 1.5631 1.5648 1.5648 7.3284 7.3284 7.3566 7.3566 8.0162 8.0162 8.0399 8.0399 8.4664 8.4664 8.4726 8.4726 9.1995 9.1995 9.2038 9.2038 9.7827 9.7827 9.8010 9.8010 10.5032 10.5032 10.5254 10.5254 11.9587 11.9587 11.9726 11.9726 12.5143 12.5143 12.5196 12.5196 12.6465 12.6465 k = 0.2100 0.4246 0.5426 ( 9858 PWs) bands (ev): -59.8601 -59.8601 -59.8601 -59.8601 -31.9474 -31.9474 -31.9474 -31.9474 -30.9909 -30.9909 -30.9909 -30.9909 -30.9520 -30.9520 -30.9520 -30.9520 0.3505 0.3505 0.3515 0.3515 1.5905 1.5905 1.5926 1.5926 7.2242 7.2242 7.2531 7.2531 8.0782 8.0782 8.0987 8.0987 8.4727 8.4727 8.4832 8.4832 9.2179 9.2179 9.2237 9.2237 9.7782 9.7782 9.8014 9.8014 10.5195 10.5195 10.5478 10.5478 11.9482 11.9482 11.9667 11.9667 12.4957 12.4957 12.5049 12.5049 12.6462 12.6462 k = 0.2000 0.4308 0.5308 ( 9852 PWs) bands (ev): -59.8599 -59.8599 -59.8599 -59.8599 -31.9474 -31.9474 -31.9474 -31.9474 -30.9909 -30.9909 -30.9909 -30.9909 -30.9519 -30.9519 -30.9519 -30.9519 0.3325 0.3325 0.3336 0.3336 1.6244 1.6244 1.6269 1.6269 7.1151 7.1151 7.1439 7.1439 8.1290 8.1290 8.1439 8.1439 8.4871 8.4871 8.5032 8.5032 9.2400 9.2400 9.2476 9.2476 9.7744 9.7744 9.8015 9.8015 10.5401 10.5401 10.5737 10.5737 11.9344 11.9344 11.9575 11.9575 12.4712 12.4712 12.4857 12.4857 12.6486 12.6486 k = 0.1900 0.4371 0.5190 ( 9864 PWs) bands (ev): -59.8604 -59.8604 -59.8604 -59.8604 -31.9474 -31.9474 -31.9474 -31.9474 -30.9910 -30.9910 -30.9910 -30.9910 -30.9520 -30.9520 -30.9520 -30.9520 0.3120 0.3120 0.3133 0.3133 1.6640 1.6640 1.6669 1.6669 7.0032 7.0032 7.0312 7.0312 8.1638 8.1638 8.1721 8.1721 8.5122 8.5122 8.5339 8.5339 9.2640 9.2640 9.2737 9.2737 9.7725 9.7725 9.8027 9.8027 10.5639 10.5639 10.6020 10.6020 11.9167 11.9167 11.9444 11.9444 12.4410 12.4410 12.4613 12.4613 12.6539 12.6539 k = 0.1800 0.4434 0.5072 ( 9870 PWs) bands (ev): -59.8606 -59.8606 -59.8606 -59.8606 -31.9475 -31.9475 -31.9475 -31.9475 -30.9910 -30.9910 -30.9910 -30.9910 -30.9521 -30.9521 -30.9521 -30.9521 0.2899 0.2899 0.2912 0.2912 1.7087 1.7087 1.7119 1.7119 6.8897 6.8897 6.9168 6.9168 8.1818 8.1818 8.1846 8.1846 8.5484 8.5484 8.5743 8.5743 9.2899 9.2899 9.3018 9.3018 9.7743 9.7743 9.8069 9.8069 10.5911 10.5911 10.6330 10.6330 11.8967 11.8967 11.9291 11.9291 12.4088 12.4088 12.4348 12.4348 12.6620 12.6620 k = 0.1700 0.4496 0.4954 ( 9860 PWs) bands (ev): -59.8602 -59.8602 -59.8602 -59.8602 -31.9474 -31.9474 -31.9474 -31.9474 -30.9909 -30.9909 -30.9909 -30.9909 -30.9520 -30.9520 -30.9520 -30.9520 0.2666 0.2666 0.2679 0.2679 1.7576 1.7576 1.7611 1.7611 6.7758 6.7758 6.8018 6.8018 8.1853 8.1853 8.1864 8.1864 8.5924 8.5924 8.6204 8.6204 9.3165 9.3165 9.3308 9.3308 9.7816 9.7816 9.8158 9.8158 10.6208 10.6208 10.6659 10.6659 11.8752 11.8752 11.9118 11.9118 12.3775 12.3775 12.4084 12.4084 12.6730 12.6730 k = 0.1600 0.4559 0.4836 ( 9860 PWs) bands (ev): -59.8602 -59.8602 -59.8602 -59.8602 -31.9474 -31.9474 -31.9474 -31.9474 -30.9909 -30.9909 -30.9909 -30.9909 -30.9520 -30.9520 -30.9520 -30.9520 0.2427 0.2427 0.2440 0.2440 1.8099 1.8099 1.8136 1.8136 6.6620 6.6620 6.6868 6.6868 8.1780 8.1780 8.1814 8.1814 8.6399 8.6399 8.6680 8.6680 9.3421 9.3421 9.3588 9.3588 9.7945 9.7945 9.8298 9.8298 10.6519 10.6519 10.6998 10.6998 11.8488 11.8488 11.8898 11.8898 12.3455 12.3455 12.3812 12.3812 12.6854 12.6854 k = 0.1500 0.4621 0.4718 ( 9856 PWs) bands (ev): -59.8600 -59.8600 -59.8600 -59.8600 -31.9474 -31.9474 -31.9474 -31.9474 -30.9909 -30.9909 -30.9909 -30.9909 -30.9520 -30.9520 -30.9520 -30.9520 0.2187 0.2187 0.2200 0.2200 1.8650 1.8650 1.8689 1.8689 6.5493 6.5493 6.5729 6.5729 8.1660 8.1660 8.1708 8.1708 8.6873 8.6873 8.7142 8.7142 9.3651 9.3651 9.3843 9.3843 9.8142 9.8142 9.8504 9.8504 10.6838 10.6838 10.7341 10.7341 11.8215 11.8215 11.8663 11.8663 12.3154 12.3154 12.3551 12.3551 12.6992 12.6992 k = 0.1400 0.4684 0.4601 ( 9858 PWs) bands (ev): -59.8601 -59.8601 -59.8601 -59.8601 -31.9474 -31.9474 -31.9474 -31.9474 -30.9909 -30.9909 -30.9909 -30.9909 -30.9520 -30.9520 -30.9520 -30.9520 0.1949 0.1949 0.1962 0.1962 1.9221 1.9221 1.9262 1.9262 6.4381 6.4381 6.4604 6.4604 8.1511 8.1511 8.1566 8.1566 8.7325 8.7325 8.7576 8.7576 9.3854 9.3854 9.4066 9.4066 9.8408 9.8408 9.8778 9.8778 10.7152 10.7152 10.7678 10.7678 11.7905 11.7905 11.8387 11.8387 12.2873 12.2873 12.3300 12.3300 12.7142 12.7142 k = 0.1300 0.4746 0.4483 ( 9858 PWs) bands (ev): -59.8601 -59.8601 -59.8601 -59.8601 -31.9474 -31.9474 -31.9474 -31.9474 -30.9909 -30.9909 -30.9909 -30.9909 -30.9520 -30.9520 -30.9520 -30.9520 0.1718 0.1718 0.1731 0.1731 1.9806 1.9806 1.9848 1.9848 6.3293 6.3293 6.3502 6.3502 8.1350 8.1350 8.1408 8.1408 8.7745 8.7745 8.7971 8.7971 9.4023 9.4023 9.4249 9.4249 9.8745 9.8745 9.9123 9.9123 10.7463 10.7463 10.8011 10.8011 11.7565 11.7565 11.8077 11.8077 12.2626 12.2626 12.3075 12.3075 12.7305 12.7305 k = 0.1200 0.4809 0.4365 ( 9858 PWs) bands (ev): -59.8601 -59.8601 -59.8601 -59.8601 -31.9474 -31.9474 -31.9474 -31.9474 -30.9909 -30.9909 -30.9909 -30.9909 -30.9520 -30.9520 -30.9520 -30.9520 0.1496 0.1496 0.1508 0.1508 2.0398 2.0398 2.0440 2.0440 6.2234 6.2234 6.2430 6.2430 8.1183 8.1183 8.1241 8.1241 8.8124 8.8124 8.8325 8.8325 9.4156 9.4156 9.4392 9.4392 9.9142 9.9142 9.9529 9.9529 10.7778 10.7778 10.8350 10.8350 11.7205 11.7205 11.7742 11.7742 12.2409 12.2409 12.2869 12.2869 12.7478 12.7478 k = 0.1100 0.4871 0.4247 ( 9852 PWs) bands (ev): -59.8599 -59.8599 -59.8599 -59.8599 -31.9474 -31.9474 -31.9474 -31.9474 -30.9909 -30.9909 -30.9909 -30.9909 -30.9520 -30.9520 -30.9520 -30.9520 0.1285 0.1285 0.1296 0.1296 2.0989 2.0989 2.1032 2.1032 6.1212 6.1212 6.1394 6.1394 8.1016 8.1016 8.1072 8.1072 8.8460 8.8460 8.8635 8.8635 9.4269 9.4269 9.4507 9.4507 9.9597 9.9597 9.9992 9.9992 10.8079 10.8079 10.8674 10.8674 11.6827 11.6827 11.7384 11.7384 12.2227 12.2227 12.2686 12.2686 12.7664 12.7665 k = 0.1000 0.4934 0.4129 ( 9850 PWs) bands (ev): -59.8598 -59.8598 -59.8598 -59.8598 -31.9473 -31.9473 -31.9473 -31.9473 -30.9909 -30.9909 -30.9909 -30.9909 -30.9519 -30.9519 -30.9519 -30.9519 0.1087 0.1087 0.1098 0.1098 2.1573 2.1573 2.1615 2.1615 6.0235 6.0235 6.0403 6.0403 8.0855 8.0855 8.0909 8.0909 8.8754 8.8754 8.8904 8.8904 9.4361 9.4361 9.4595 9.4595 10.0081 10.0081 10.0485 10.0485 10.8363 10.8363 10.8983 10.8983 11.6432 11.6432 11.7004 11.7004 12.2075 12.2075 12.2525 12.2525 12.7854 12.7855 k = 0.0900 0.4997 0.4011 ( 9854 PWs) bands (ev): -59.8600 -59.8600 -59.8600 -59.8600 -31.9474 -31.9474 -31.9474 -31.9474 -30.9909 -30.9909 -30.9909 -30.9909 -30.9520 -30.9520 -30.9520 -30.9520 0.0904 0.0904 0.0914 0.0914 2.2141 2.2141 2.2183 2.2183 5.9310 5.9310 5.9464 5.9464 8.0704 8.0704 8.0754 8.0754 8.9007 8.9007 8.9134 8.9134 9.4439 9.4439 9.4662 9.4662 10.0582 10.0582 10.0991 10.0991 10.8628 10.8628 10.9272 10.9272 11.6025 11.6025 11.6610 11.6610 12.1949 12.1949 12.2379 12.2379 12.8046 12.8047 k = 0.0800 0.5059 0.3893 ( 9848 PWs) bands (ev): -59.8597 -59.8597 -59.8597 -59.8597 -31.9473 -31.9473 -31.9473 -31.9473 -30.9908 -30.9908 -30.9908 -30.9908 -30.9519 -30.9519 -30.9519 -30.9519 0.0738 0.0738 0.0746 0.0746 2.2687 2.2687 2.2726 2.2726 5.8447 5.8447 5.8586 5.8586 8.0563 8.0563 8.0609 8.0609 8.9224 8.9224 8.9330 8.9330 9.4512 9.4512 9.4720 9.4720 10.1096 10.1096 10.1504 10.1504 10.8883 10.8883 10.9550 10.9550 11.5618 11.5618 11.6211 11.6211 12.1853 12.1853 12.2256 12.2256 12.8245 12.8246 k = 0.0700 0.5122 0.3775 ( 9848 PWs) bands (ev): -59.8597 -59.8597 -59.8597 -59.8597 -31.9473 -31.9473 -31.9473 -31.9473 -30.9908 -30.9908 -30.9908 -30.9908 -30.9519 -30.9519 -30.9519 -30.9519 0.0588 0.0588 0.0596 0.0596 2.3199 2.3199 2.3236 2.3236 5.7653 5.7653 5.7777 5.7777 8.0435 8.0435 8.0477 8.0477 8.9405 8.9405 8.9493 8.9493 9.4577 9.4577 9.4766 9.4766 10.1598 10.1598 10.2000 10.2000 10.9117 10.9117 10.9801 10.9801 11.5216 11.5216 11.5811 11.5811 12.1777 12.1777 12.2146 12.2146 12.8441 12.8442 k = 0.0600 0.5184 0.3657 ( 9844 PWs) bands (ev): -59.8595 -59.8595 -59.8595 -59.8595 -31.9473 -31.9473 -31.9473 -31.9473 -30.9908 -30.9908 -30.9908 -30.9908 -30.9519 -30.9519 -30.9519 -30.9519 0.0458 0.0458 0.0464 0.0464 2.3671 2.3671 2.3705 2.3705 5.6941 5.6941 5.7048 5.7048 8.0322 8.0322 8.0358 8.0358 8.9555 8.9555 8.9627 8.9627 9.4640 9.4640 9.4806 9.4806 10.2082 10.2082 10.2468 10.2468 10.9337 10.9337 11.0029 11.0029 11.4833 11.4833 11.5423 11.5423 12.1721 12.1721 12.2049 12.2049 12.8632 12.8633 k = 0.0500 0.5247 0.3539 ( 9850 PWs) bands (ev): -59.8598 -59.8598 -59.8598 -59.8598 -31.9473 -31.9473 -31.9473 -31.9473 -30.9908 -30.9908 -30.9908 -30.9908 -30.9519 -30.9519 -30.9519 -30.9519 0.0346 0.0346 0.0351 0.0351 2.4092 2.4092 2.4121 2.4121 5.6316 5.6316 5.6407 5.6407 8.0224 8.0224 8.0255 8.0255 8.9674 8.9674 8.9732 8.9732 9.4691 9.4691 9.4832 9.4832 10.2528 10.2528 10.2886 10.2886 10.9548 10.9548 11.0228 11.0228 11.4467 11.4467 11.5038 11.5038 12.1680 12.1680 12.1961 12.1961 12.8812 12.8812 k = 0.0400 0.5309 0.3421 ( 9856 PWs) bands (ev): -59.8600 -59.8600 -59.8600 -59.8600 -31.9474 -31.9474 -31.9474 -31.9474 -30.9908 -30.9908 -30.9908 -30.9908 -30.9520 -30.9520 -30.9520 -30.9520 0.0254 0.0254 0.0258 0.0258 2.4453 2.4453 2.4478 2.4478 5.5791 5.5791 5.5865 5.5865 8.0144 8.0144 8.0169 8.0169 8.9767 8.9767 8.9811 8.9811 9.4735 9.4735 9.4850 9.4850 10.2928 10.2928 10.3243 10.3243 10.9752 10.9752 11.0391 11.0391 11.4149 11.4149 11.4679 11.4679 12.1654 12.1654 12.1885 12.1885 12.8974 12.8975 k = 0.0300 0.5372 0.3303 ( 9858 PWs) bands (ev): -59.8601 -59.8601 -59.8601 -59.8601 -31.9474 -31.9474 -31.9474 -31.9474 -30.9909 -30.9909 -30.9909 -30.9909 -30.9520 -30.9520 -30.9520 -30.9520 0.0182 0.0182 0.0185 0.0185 2.4745 2.4745 2.4765 2.4765 5.5374 5.5374 5.5430 5.5430 8.0082 8.0082 8.0100 8.0100 8.9838 8.9838 8.9870 8.9870 9.4774 9.4774 9.4861 9.4861 10.3271 10.3271 10.3528 10.3528 10.9948 10.9948 11.0505 11.0505 11.3897 11.3897 11.4357 11.4357 12.1645 12.1645 12.1822 12.1822 12.9119 12.9119 k = 0.0200 0.5435 0.3185 ( 9846 PWs) bands (ev): -59.8596 -59.8596 -59.8596 -59.8596 -31.9473 -31.9473 -31.9473 -31.9473 -30.9908 -30.9908 -30.9908 -30.9908 -30.9519 -30.9519 -30.9519 -30.9519 0.0130 0.0130 0.0133 0.0133 2.4961 2.4961 2.4975 2.4975 5.5073 5.5073 5.5110 5.5110 8.0039 8.0039 8.0051 8.0051 8.9892 8.9892 8.9913 8.9913 9.4813 9.4813 9.4871 9.4871 10.3548 10.3548 10.3730 10.3730 11.0139 11.0139 11.0558 11.0558 11.3743 11.3743 11.4089 11.4089 12.1658 12.1658 12.1778 12.1778 12.9240 12.9240 k = 0.0100 0.5497 0.3067 ( 9846 PWs) bands (ev): -59.8596 -59.8596 -59.8596 -59.8596 -31.9473 -31.9473 -31.9473 -31.9473 -30.9908 -30.9908 -30.9908 -30.9908 -30.9520 -30.9520 -30.9520 -30.9520 0.0100 0.0100 0.0101 0.0101 2.5095 2.5095 2.5102 2.5102 5.4893 5.4893 5.4912 5.4912 8.0014 8.0014 8.0020 8.0020 8.9924 8.9924 8.9935 8.9935 9.4842 9.4842 9.4871 9.4871 10.3736 10.3736 10.3831 10.3831 11.0305 11.0305 11.0532 11.0532 11.3680 11.3680 11.3868 11.3868 12.1675 12.1675 12.1736 12.1736 12.9320 12.9342 k = 0.0000 0.5560 0.2949 ( 9848 PWs) bands (ev): -59.8597 -59.8597 -59.8597 -59.8597 -31.9473 -31.9473 -31.9473 -31.9473 -30.9908 -30.9908 -30.9908 -30.9908 -30.9520 -30.9520 -30.9520 -30.9520 0.0090 0.0090 0.0090 0.0090 2.5143 2.5143 2.5143 2.5143 5.4839 5.4839 5.4839 5.4839 8.0008 8.0008 8.0008 8.0008 8.9938 8.9938 8.9938 8.9938 9.4859 9.4859 9.4859 9.4859 10.3830 10.3830 10.3830 10.3830 11.0446 11.0446 11.0446 11.0446 11.3723 11.3723 11.3723 11.3723 12.1702 12.1702 12.1702 12.1702 12.9363 12.9363 k = 0.0000 0.5560 0.2949 ( 9848 PWs) bands (ev): -59.8597 -59.8597 -59.8597 -59.8597 -31.9473 -31.9473 -31.9473 -31.9473 -30.9908 -30.9908 -30.9908 -30.9908 -30.9520 -30.9520 -30.9520 -30.9520 0.0090 0.0090 0.0090 0.0090 2.5143 2.5143 2.5143 2.5143 5.4839 5.4839 5.4839 5.4839 8.0008 8.0008 8.0008 8.0008 8.9938 8.9938 8.9938 8.9938 9.4859 9.4859 9.4859 9.4859 10.3830 10.3830 10.3830 10.3830 11.0446 11.0446 11.0446 11.0446 11.3723 11.3723 11.3723 11.3723 12.1702 12.1702 12.1702 12.1702 12.9363 12.9363 k =-0.0135 0.5512 0.3038 ( 9849 PWs) bands (ev): -59.8603 -59.8603 -59.8591 -59.8591 -31.9481 -31.9481 -31.9466 -31.9466 -30.9926 -30.9926 -30.9890 -30.9890 -30.9524 -30.9524 -30.9515 -30.9515 0.0084 0.0084 0.0120 0.0120 2.4734 2.4734 2.5510 2.5510 5.4242 5.4242 5.5509 5.5509 7.8941 7.8941 8.1005 8.1005 8.9438 8.9438 9.0211 9.0211 9.4805 9.4805 9.5101 9.5101 10.3591 10.3591 10.4077 10.4077 11.0424 11.0424 11.0465 11.0465 11.3520 11.3520 11.3909 11.3909 12.1736 12.1736 12.1777 12.1777 12.8716 12.8716 k =-0.0270 0.5465 0.3128 ( 9847 PWs) bands (ev): -59.8606 -59.8606 -59.8587 -59.8587 -31.9489 -31.9489 -31.9458 -31.9458 -30.9944 -30.9944 -30.9872 -30.9872 -30.9527 -30.9527 -30.9512 -30.9512 0.0104 0.0104 0.0174 0.0174 2.4291 2.4291 2.5828 2.5828 5.3726 5.3726 5.6245 5.6245 7.7825 7.7825 8.1908 8.1908 8.8779 8.8779 9.0241 9.0241 9.4937 9.4937 9.5488 9.5488 10.3362 10.3362 10.4326 10.4326 11.0414 11.0414 11.0495 11.0495 11.3310 11.3310 11.4064 11.4064 12.1849 12.1849 12.1988 12.1988 12.8129 12.8129 k =-0.0405 0.5418 0.3217 ( 9849 PWs) bands (ev): -59.8608 -59.8608 -59.8587 -59.8587 -31.9498 -31.9498 -31.9450 -31.9450 -30.9962 -30.9962 -30.9854 -30.9854 -30.9530 -30.9530 -30.9508 -30.9508 0.0148 0.0148 0.0254 0.0254 2.3820 2.3820 2.6090 2.6090 5.3300 5.3300 5.7038 5.7038 7.6674 7.6674 8.2661 8.2661 8.8060 8.8060 9.0073 9.0073 9.5211 9.5211 9.5970 9.5970 10.3149 10.3149 10.4566 10.4566 11.0399 11.0399 11.0524 11.0524 11.3086 11.3086 11.4198 11.4198 12.1993 12.1993 12.2327 12.2327 12.7637 12.7637 k =-0.0540 0.5370 0.3307 ( 9846 PWs) bands (ev): -59.8612 -59.8612 -59.8581 -59.8581 -31.9505 -31.9505 -31.9442 -31.9442 -30.9980 -30.9980 -30.9835 -30.9835 -30.9534 -30.9534 -30.9504 -30.9504 0.0216 0.0216 0.0358 0.0358 2.3328 2.3328 2.6288 2.6288 5.2970 5.2970 5.7880 5.7880 7.5494 7.5494 8.3147 8.3147 8.7438 8.7438 8.9777 8.9777 9.5570 9.5570 9.6506 9.6506 10.2962 10.2962 10.4789 10.4789 11.0387 11.0387 11.0557 11.0557 11.2876 11.2876 11.4328 11.4328 12.2099 12.2099 12.2786 12.2786 12.7304 12.7304 k =-0.0675 0.5323 0.3396 ( 9847 PWs) bands (ev): -59.8615 -59.8615 -59.8578 -59.8578 -31.9514 -31.9514 -31.9434 -31.9434 -30.9998 -30.9998 -30.9817 -30.9817 -30.9538 -30.9538 -30.9500 -30.9500 0.0309 0.0309 0.0487 0.0487 2.2820 2.2820 2.6418 2.6418 5.2741 5.2741 5.8761 5.8761 7.4297 7.4297 8.3172 8.3172 8.7129 8.7129 8.9405 8.9405 9.5964 9.5964 9.7051 9.7051 10.2804 10.2804 10.5004 10.5004 11.0362 11.0362 11.0587 11.0587 11.2693 11.2693 11.4444 11.4444 12.2059 12.2059 12.3363 12.3363 12.7203 12.7203 k =-0.0810 0.5275 0.3485 ( 9853 PWs) bands (ev): -59.8619 -59.8619 -59.8578 -59.8578 -31.9522 -31.9522 -31.9427 -31.9427 -31.0016 -31.0016 -30.9799 -30.9799 -30.9542 -30.9542 -30.9497 -30.9497 0.0425 0.0425 0.0641 0.0641 2.2301 2.2301 2.6475 2.6475 5.2618 5.2618 5.9675 5.9675 7.3090 7.3090 8.2641 8.2641 8.7233 8.7233 8.8998 8.8998 9.6366 9.6366 9.7582 9.7582 10.2673 10.2673 10.5206 10.5206 11.0321 11.0321 11.0612 11.0612 11.2557 11.2557 11.4568 11.4568 12.1831 12.1831 12.4025 12.4025 12.7370 12.7370 k =-0.0946 0.5228 0.3575 ( 9853 PWs) bands (ev): -59.8619 -59.8619 -59.8578 -59.8578 -31.9531 -31.9531 -31.9418 -31.9418 -31.0034 -31.0034 -30.9781 -30.9781 -30.9545 -30.9545 -30.9494 -30.9494 0.0566 0.0566 0.0818 0.0818 2.1775 2.1775 2.6455 2.6455 5.2601 5.2601 6.0612 6.0612 7.1883 7.1883 8.1723 8.1723 8.7559 8.7559 8.8622 8.8622 9.6773 9.6773 9.8097 9.8097 10.2588 10.2588 10.5394 10.5394 11.0262 11.0262 11.0646 11.0646 11.2476 11.2476 11.4695 11.4695 12.1426 12.1426 12.4763 12.4763 12.7761 12.7761 k =-0.1081 0.5181 0.3664 ( 9851 PWs) bands (ev): -59.8622 -59.8622 -59.8574 -59.8574 -31.9539 -31.9539 -31.9411 -31.9411 -31.0051 -31.0051 -30.9763 -30.9763 -30.9549 -30.9549 -30.9490 -30.9490 0.0730 0.0730 0.1021 0.1021 2.1248 2.1248 2.6360 2.6360 5.2689 5.2689 6.1561 6.1561 7.0687 7.0687 8.0608 8.0608 8.7693 8.7693 8.8532 8.8532 9.7167 9.7167 9.8581 9.8581 10.2545 10.2545 10.5559 10.5559 11.0182 11.0182 11.0667 11.0667 11.2458 11.2458 11.4843 11.4843 12.0894 12.0894 12.5550 12.5550 12.8310 12.8310 k =-0.1216 0.5133 0.3753 ( 9859 PWs) bands (ev): -59.8629 -59.8629 -59.8573 -59.8573 -31.9547 -31.9547 -31.9404 -31.9404 -31.0068 -31.0068 -30.9745 -30.9745 -30.9553 -30.9553 -30.9487 -30.9487 0.0918 0.0918 0.1247 0.1247 2.0720 2.0720 2.6188 2.6188 5.2877 5.2877 6.2508 6.2508 6.9514 6.9514 7.9388 7.9388 8.7374 8.7374 8.8911 8.8911 9.7541 9.7541 9.9021 9.9021 10.2543 10.2543 10.5695 10.5695 11.0075 11.0075 11.0685 11.0685 11.2492 11.2492 11.5013 11.5013 12.0266 12.0266 12.6348 12.6348 12.8940 12.8940 k =-0.1351 0.5086 0.3843 ( 9854 PWs) bands (ev): -59.8630 -59.8630 -59.8568 -59.8568 -31.9555 -31.9555 -31.9397 -31.9397 -31.0084 -31.0084 -30.9727 -30.9727 -30.9556 -30.9556 -30.9483 -30.9483 0.1128 0.1128 0.1496 0.1496 2.0197 2.0197 2.5945 2.5945 5.3158 5.3158 6.3431 6.3431 6.8389 6.8389 7.8114 7.8114 8.6929 8.6929 8.9418 8.9418 9.7896 9.7896 9.9432 9.9432 10.2593 10.2593 10.5813 10.5813 10.9962 10.9962 11.0709 11.0709 11.2582 11.2582 11.5201 11.5201 11.9588 11.9588 12.7109 12.7109 12.9599 12.9599 k =-0.1486 0.5038 0.3932 ( 9851 PWs) bands (ev): -59.8635 -59.8635 -59.8561 -59.8561 -31.9562 -31.9562 -31.9390 -31.9390 -31.0100 -31.0100 -30.9710 -30.9710 -30.9560 -30.9560 -30.9478 -30.9478 0.1361 0.1361 0.1769 0.1769 1.9680 1.9680 2.5635 2.5635 5.3520 5.3520 6.4268 6.4268 6.7371 6.7371 7.6811 7.6811 8.6458 8.6458 8.9937 8.9937 9.8222 9.8222 9.9798 9.9798 10.2699 10.2699 10.5902 10.5902 10.9849 10.9849 11.0740 11.0740 11.2713 11.2713 11.5401 11.5401 11.8884 11.8884 12.7704 12.7704 13.0257 13.0257 k =-0.1621 0.4991 0.4021 ( 9855 PWs) bands (ev): -59.8635 -59.8635 -59.8564 -59.8564 -31.9571 -31.9571 -31.9383 -31.9383 -31.0117 -31.0117 -30.9692 -30.9692 -30.9562 -30.9562 -30.9476 -30.9476 0.1616 0.1616 0.2065 0.2065 1.9171 1.9171 2.5263 2.5263 5.3948 5.3948 6.4785 6.4785 6.6692 6.6692 7.5506 7.5506 8.5975 8.5975 9.0441 9.0441 9.8526 9.8526 10.0129 10.0129 10.2834 10.2834 10.5975 10.5975 10.9751 10.9751 11.0775 11.0775 11.2875 11.2875 11.5603 11.5603 11.8154 11.8154 12.8012 12.8012 13.0932 13.0932 k =-0.1756 0.4944 0.4111 ( 9858 PWs) bands (ev): -59.8637 -59.8637 -59.8565 -59.8565 -31.9579 -31.9579 -31.9376 -31.9376 -31.0133 -31.0133 -30.9675 -30.9675 -30.9565 -30.9565 -30.9473 -30.9473 0.1892 0.1892 0.2384 0.2384 1.8673 1.8673 2.4836 2.4836 5.4418 5.4418 6.4482 6.4482 6.6843 6.6843 7.4227 7.4227 8.5498 8.5498 9.0945 9.0945 9.8798 9.8798 10.0416 10.0416 10.3009 10.3009 10.6023 10.6023 10.9667 10.9667 11.0809 11.0809 11.3058 11.3058 11.5813 11.5813 11.7428 11.7428 12.8029 12.8029 13.1681 13.1681 k =-0.1891 0.4896 0.4200 ( 9866 PWs) bands (ev): -59.8641 -59.8641 -59.8567 -59.8567 -31.9588 -31.9588 -31.9369 -31.9369 -31.0149 -31.0149 -30.9659 -30.9659 -30.9569 -30.9569 -30.9471 -30.9471 0.2190 0.2190 0.2725 0.2725 1.8187 1.8187 2.4360 2.4360 5.4900 5.4900 6.3742 6.3742 6.7420 6.7420 7.3026 7.3026 8.5024 8.5024 9.1444 9.1444 9.9043 9.9043 10.0659 10.0659 10.3217 10.3217 10.6039 10.6039 10.9604 10.9604 11.0847 11.0847 11.3262 11.3262 11.6020 11.6020 11.6719 11.6719 12.7838 12.7838 13.2443 13.2443 k =-0.2026 0.4849 0.4290 ( 9862 PWs) bands (ev): -59.8643 -59.8643 -59.8561 -59.8561 -31.9595 -31.9595 -31.9363 -31.9363 -31.0164 -31.0164 -30.9642 -30.9642 -30.9572 -30.9572 -30.9468 -30.9468 0.2508 0.2508 0.3087 0.3087 1.7714 1.7714 2.3840 2.3840 5.5344 5.5344 6.3016 6.3016 6.7897 6.7897 7.2025 7.2025 8.4559 8.4559 9.1956 9.1956 9.9271 9.9271 10.0860 10.0860 10.3462 10.3462 10.6028 10.6028 10.9573 10.9573 11.0886 11.0886 11.3483 11.3483 11.5989 11.5989 11.6303 11.6303 12.7547 12.7547 13.3152 13.3152 k =-0.2161 0.4801 0.4379 ( 9865 PWs) bands (ev): -59.8643 -59.8643 -59.8563 -59.8563 -31.9603 -31.9603 -31.9356 -31.9356 -31.0179 -31.0179 -30.9626 -30.9626 -30.9575 -30.9575 -30.9465 -30.9465 0.2846 0.2846 0.3469 0.3469 1.7256 1.7256 2.3284 2.3284 5.5678 5.5678 6.2460 6.2460 6.7917 6.7917 7.1485 7.1485 8.4099 8.4099 9.2479 9.2479 9.9487 9.9487 10.1018 10.1018 10.3723 10.3723 10.5986 10.5986 10.9563 10.9563 11.0937 11.0937 11.3686 11.3686 11.5393 11.5393 11.6496 11.6496 12.7193 12.7193 13.3758 13.3758 k =-0.2296 0.4754 0.4468 ( 9859 PWs) bands (ev): -59.8646 -59.8646 -59.8556 -59.8556 -31.9609 -31.9609 -31.9350 -31.9350 -31.0192 -31.0192 -30.9611 -30.9611 -30.9577 -30.9577 -30.9461 -30.9461 0.3203 0.3203 0.3872 0.3872 1.6814 1.6814 2.2696 2.2696 5.5813 5.5813 6.2182 6.2182 6.7298 6.7298 7.1571 7.1571 8.3651 8.3651 9.3038 9.3038 9.9679 9.9679 10.1120 10.1120 10.4003 10.4003 10.5905 10.5905 10.9574 10.9574 11.0998 11.0998 11.3805 11.3805 11.4927 11.4927 11.6717 11.6717 12.6843 12.6843 13.4281 13.4281 k =-0.2431 0.4707 0.4558 ( 9865 PWs) bands (ev): -59.8651 -59.8651 -59.8555 -59.8555 -31.9617 -31.9617 -31.9345 -31.9345 -31.0206 -31.0206 -30.9596 -30.9596 -30.9581 -30.9581 -30.9459 -30.9459 0.3579 0.3579 0.4294 0.4294 1.6389 1.6389 2.2081 2.2081 5.5688 5.5688 6.2244 6.2244 6.6285 6.6285 7.2022 7.2022 8.3212 8.3212 9.3625 9.3625 9.9851 9.9851 10.1192 10.1192 10.4291 10.4291 10.5767 10.5767 10.9605 10.9605 11.1046 11.1046 11.3650 11.3650 11.4778 11.4778 11.6927 11.6927 12.6485 12.6485 13.4724 13.4724 k =-0.2566 0.4659 0.4647 ( 9850 PWs) bands (ev): -59.8648 -59.8648 -59.8547 -59.8547 -31.9623 -31.9623 -31.9338 -31.9338 -31.0218 -31.0218 -30.9583 -30.9583 -30.9579 -30.9579 -30.9455 -30.9455 0.3973 0.3973 0.4734 0.4734 1.5982 1.5982 2.1442 2.1442 5.5321 5.5321 6.2624 6.2624 6.5133 6.5133 7.2592 7.2592 8.2789 8.2789 9.4255 9.4255 10.0018 10.0018 10.1242 10.1242 10.4582 10.4582 10.5587 10.5587 10.9662 10.9662 11.1111 11.1111 11.3286 11.3286 11.4949 11.4949 11.7139 11.7139 12.6156 12.6156 13.5118 13.5118 k =-0.2702 0.4612 0.4736 ( 9852 PWs) bands (ev): -59.8648 -59.8648 -59.8547 -59.8547 -31.9630 -31.9630 -31.9333 -31.9333 -31.0232 -31.0232 -30.9585 -30.9585 -30.9565 -30.9565 -30.9453 -30.9453 0.4383 0.4383 0.5191 0.5191 1.5594 1.5594 2.0785 2.0785 5.4787 5.4787 6.3162 6.3162 6.4020 6.4020 7.3173 7.3173 8.2371 8.2371 9.4920 9.4920 10.0166 10.0166 10.1256 10.1256 10.4824 10.4824 10.5387 10.5387 10.9731 10.9731 11.1167 11.1167 11.2891 11.2891 11.5219 11.5219 11.7323 11.7323 12.5842 12.5842 13.5448 13.5448 k =-0.2837 0.4564 0.4826 ( 9840 PWs) bands (ev): -59.8644 -59.8644 -59.8542 -59.8542 -31.9636 -31.9636 -31.9327 -31.9327 -31.0243 -31.0243 -30.9587 -30.9587 -30.9550 -30.9550 -30.9450 -30.9450 0.4809 0.4809 0.5663 0.5663 1.5224 1.5224 2.0111 2.0111 5.4163 5.4163 6.2568 6.2568 6.4207 6.4207 7.3729 7.3729 8.1966 8.1966 9.5631 9.5631 10.0295 10.0295 10.1247 10.1247 10.4769 10.4769 10.5413 10.5413 10.9824 10.9824 11.1241 11.1241 11.2557 11.2557 11.5547 11.5547 11.7510 11.7510 12.5570 12.5570 13.5743 13.5743 k =-0.2972 0.4517 0.4915 ( 9842 PWs) bands (ev): -59.8649 -59.8649 -59.8538 -59.8538 -31.9642 -31.9642 -31.9322 -31.9322 -31.0255 -31.0255 -30.9590 -30.9590 -30.9537 -30.9537 -30.9447 -30.9447 0.5250 0.5250 0.6150 0.6150 1.4874 1.4874 1.9423 1.9423 5.3500 5.3500 6.1386 6.1386 6.5109 6.5109 7.4243 7.4243 8.1574 8.1574 9.6381 9.6381 10.0397 10.0397 10.1213 10.1213 10.4389 10.4389 10.5676 10.5676 10.9927 10.9927 11.1277 11.1277 11.2279 11.2279 11.5890 11.5890 11.7683 11.7683 12.5334 12.5334 13.6003 13.6003 k =-0.3107 0.4470 0.5004 ( 9845 PWs) bands (ev): -59.8653 -59.8653 -59.8537 -59.8537 -31.9648 -31.9648 -31.9317 -31.9317 -31.0267 -31.0267 -30.9593 -30.9593 -30.9523 -30.9523 -30.9444 -30.9444 0.5704 0.5704 0.6650 0.6650 1.4545 1.4545 1.8725 1.8725 5.2835 5.2835 6.0193 6.0193 6.6123 6.6123 7.4705 7.4705 8.1193 8.1193 9.7156 9.7156 10.0474 10.0474 10.1170 10.1170 10.3890 10.3890 10.5994 10.5994 11.0046 11.0046 11.1312 11.1312 11.2068 11.2068 11.6254 11.6254 11.7848 11.7848 12.5133 12.5133 13.6230 13.6230 k =-0.3242 0.4422 0.5094 ( 9849 PWs) bands (ev): -59.8650 -59.8650 -59.8542 -59.8542 -31.9655 -31.9655 -31.9312 -31.9312 -31.0279 -31.0279 -30.9594 -30.9594 -30.9510 -30.9510 -30.9443 -30.9443 0.6171 0.6171 0.7161 0.7161 1.4236 1.4236 1.8019 1.8019 5.2189 5.2189 5.9022 5.9022 6.7202 6.7202 7.5114 7.5114 8.0820 8.0820 9.7944 9.7944 10.0521 10.0521 10.1128 10.1128 10.3326 10.3326 10.6316 10.6316 11.0186 11.0186 11.1348 11.1348 11.1928 11.1928 11.6638 11.6638 11.8008 11.8008 12.4956 12.4956 13.6415 13.6415 k =-0.3377 0.4375 0.5183 ( 9843 PWs) bands (ev): -59.8650 -59.8650 -59.8538 -59.8538 -31.9660 -31.9660 -31.9307 -31.9307 -31.0289 -31.0289 -30.9596 -30.9596 -30.9498 -30.9498 -30.9440 -30.9440 0.6647 0.6647 0.7681 0.7681 1.3948 1.3948 1.7306 1.7306 5.1576 5.1576 5.7881 5.7881 6.8328 6.8328 7.5474 7.5474 8.0464 8.0464 9.8719 9.8719 10.0521 10.0521 10.1088 10.1088 10.2744 10.2744 10.6669 10.6669 11.0333 11.0333 11.1363 11.1363 11.1842 11.1842 11.7042 11.7042 11.8184 11.8184 12.4847 12.4847 13.6577 13.6577 k =-0.3512 0.4327 0.5273 ( 9841 PWs) bands (ev): -59.8652 -59.8652 -59.8534 -59.8534 -31.9665 -31.9665 -31.9303 -31.9303 -31.0299 -31.0299 -30.9598 -30.9598 -30.9487 -30.9487 -30.9438 -30.9438 0.7131 0.7131 0.8208 0.8208 1.3682 1.3682 1.6591 1.6591 5.1004 5.1004 5.6777 5.6777 6.9488 6.9488 7.5785 7.5785 8.0119 8.0119 9.9410 9.9410 10.0436 10.0436 10.1068 10.1068 10.2213 10.2213 10.7023 10.7023 11.0494 11.0494 11.1370 11.1370 11.1792 11.1792 11.7467 11.7467 11.8379 11.8379 12.4776 12.4776 13.6701 13.6701 k =-0.3647 0.4280 0.5362 ( 9843 PWs) bands (ev): -59.8653 -59.8653 -59.8534 -59.8534 -31.9671 -31.9671 -31.9299 -31.9299 -31.0309 -31.0309 -30.9600 -30.9600 -30.9476 -30.9476 -30.9435 -30.9435 0.7619 0.7619 0.8739 0.8739 1.3437 1.3437 1.5876 1.5876 5.0481 5.0481 5.5713 5.5713 7.0668 7.0668 7.6054 7.6054 7.9790 7.9790 9.9737 9.9737 10.0355 10.0355 10.1167 10.1167 10.1842 10.1842 10.7385 10.7385 11.0659 11.0659 11.1366 11.1366 11.1774 11.1774 11.7906 11.7906 11.8597 11.8597 12.4708 12.4708 13.6779 13.6779 k =-0.3782 0.4233 0.5451 ( 9848 PWs) bands (ev): -59.8652 -59.8652 -59.8539 -59.8539 -31.9677 -31.9677 -31.9295 -31.9295 -31.0319 -31.0319 -30.9601 -30.9601 -30.9466 -30.9466 -30.9435 -30.9435 0.8108 0.8108 0.9272 0.9272 1.3214 1.3214 1.5167 1.5167 5.0011 5.0011 5.4696 5.4696 7.1857 7.1857 7.6284 7.6284 7.9473 7.9473 9.9348 9.9348 10.0416 10.0416 10.1439 10.1439 10.1784 10.1784 10.7728 10.7728 11.0838 11.0838 11.1358 11.1358 11.1777 11.1777 11.8363 11.8363 11.8861 11.8861 12.4681 12.4681 13.6781 13.6781 k =-0.3917 0.4185 0.5541 ( 9844 PWs) bands (ev): -59.8651 -59.8651 -59.8538 -59.8538 -31.9681 -31.9681 -31.9291 -31.9291 -31.0327 -31.0327 -30.9602 -30.9602 -30.9455 -30.9455 -30.9433 -30.9433 0.8589 0.8589 0.9803 0.9803 1.3013 1.3013 1.4471 1.4471 4.9597 4.9597 5.3728 5.3728 7.3038 7.3038 7.6490 7.6490 7.9179 7.9179 9.8665 9.8665 10.0406 10.0406 10.1474 10.1474 10.2250 10.2250 10.8052 10.8052 11.1013 11.1013 11.1366 11.1366 11.1789 11.1789 11.8830 11.8830 11.9192 11.9192 12.4701 12.4701 13.6700 13.6700 k =-0.4052 0.4138 0.5630 ( 9850 PWs) bands (ev): -59.8658 -59.8658 -59.8535 -59.8535 -31.9685 -31.9685 -31.9289 -31.9289 -31.0334 -31.0334 -30.9605 -30.9605 -30.9448 -30.9448 -30.9431 -30.9431 0.9048 0.9048 1.0329 1.0329 1.2833 1.2833 1.3803 1.3803 4.9243 4.9243 5.2815 5.2815 7.4173 7.4173 7.6700 7.6700 7.8915 7.8915 9.7874 9.7874 10.0332 10.0332 10.1451 10.1451 10.2817 10.2817 10.8352 10.8352 11.1172 11.1172 11.1373 11.1373 11.1803 11.1803 11.9295 11.9295 11.9592 11.9592 12.4746 12.4746 13.6455 13.6455 k =-0.4187 0.4090 0.5719 ( 9857 PWs) bands (ev): -59.8660 -59.8660 -59.8538 -59.8538 -31.9690 -31.9690 -31.9286 -31.9286 -31.0342 -31.0342 -30.9606 -30.9606 -30.9439 -30.9439 -30.9430 -30.9430 0.9456 0.9456 1.0847 1.0847 1.2673 1.2673 1.3195 1.3195 4.8951 4.8951 5.1961 5.1961 7.5170 7.5170 7.6963 7.6963 7.8710 7.8710 9.7028 9.7028 10.0251 10.0251 10.1438 10.1438 10.3340 10.3340 10.8593 10.8593 11.1313 11.1313 11.1425 11.1425 11.1844 11.1844 11.9769 11.9769 12.0064 12.0064 12.4803 12.4803 13.6000 13.6000 k =-0.4322 0.4043 0.5809 ( 9860 PWs) bands (ev): -59.8659 -59.8659 -59.8542 -59.8542 -31.9694 -31.9694 -31.9283 -31.9283 -31.0349 -31.0349 -30.9608 -30.9608 -30.9431 -30.9431 -30.9430 -30.9430 0.9748 0.9748 1.1352 1.1352 1.2518 1.2518 1.2726 1.2726 4.8723 4.8723 5.1171 5.1171 7.5843 7.5843 7.7346 7.7346 7.8686 7.8686 9.6159 9.6159 10.0170 10.0170 10.1433 10.1433 10.3787 10.3787 10.8767 10.8767 11.1397 11.1397 11.1547 11.1547 11.1910 11.1910 12.0276 12.0276 12.0589 12.0589 12.4883 12.4883 13.5363 13.5363 k =-0.4458 0.3996 0.5898 ( 9844 PWs) bands (ev): -59.8648 -59.8648 -59.8541 -59.8541 -31.9697 -31.9697 -31.9279 -31.9279 -31.0355 -31.0355 -30.9606 -30.9606 -30.9428 -30.9428 -30.9422 -30.9422 0.9809 0.9809 1.1838 1.1838 1.2364 1.2364 1.2518 1.2518 4.8560 4.8560 5.0449 5.0449 7.6123 7.6123 7.7593 7.7593 7.9174 7.9174 9.5290 9.5290 10.0104 10.0104 10.1440 10.1440 10.4146 10.4146 10.8872 10.8872 11.1454 11.1454 11.1719 11.1719 11.2026 11.2026 12.0815 12.0815 12.1145 12.1145 12.5000 12.5000 13.4614 13.4614 k =-0.4458 0.3996 0.5898 ( 9844 PWs) bands (ev): -59.8648 -59.8648 -59.8541 -59.8541 -31.9697 -31.9697 -31.9279 -31.9279 -31.0355 -31.0355 -30.9606 -30.9606 -30.9428 -30.9428 -30.9422 -30.9422 0.9809 0.9809 1.1838 1.1838 1.2364 1.2364 1.2518 1.2518 4.8560 4.8560 5.0449 5.0449 7.6123 7.6123 7.7593 7.7593 7.9174 7.9174 9.5290 9.5290 10.0104 10.0104 10.1440 10.1440 10.4146 10.4146 10.8872 10.8872 11.1454 11.1454 11.1719 11.1719 11.2026 11.2026 12.0815 12.0815 12.1145 12.1145 12.5000 12.5000 13.4614 13.4614 k =-0.4548 0.3851 0.5898 ( 9852 PWs) bands (ev): -59.8661 -59.8661 -59.8533 -59.8533 -31.9701 -31.9701 -31.9277 -31.9277 -31.0362 -31.0362 -30.9610 -30.9610 -30.9425 -30.9425 -30.9415 -30.9415 0.9676 0.9676 1.2230 1.2230 1.2382 1.2382 1.2523 1.2523 4.8375 4.8375 4.9471 4.9471 7.6301 7.6301 7.7701 7.7701 8.0411 8.0411 9.3962 9.3962 9.9991 9.9991 10.1391 10.1391 10.4590 10.4590 10.8969 10.8969 11.1451 11.1451 11.1921 11.1921 11.2174 11.2174 12.1659 12.1659 12.2002 12.2002 12.5194 12.5194 13.3410 13.3410 k =-0.4638 0.3707 0.5898 ( 9848 PWs) bands (ev): -59.8654 -59.8654 -59.8537 -59.8537 -31.9706 -31.9706 -31.9273 -31.9273 -31.0370 -31.0370 -30.9610 -30.9610 -30.9425 -30.9425 -30.9406 -30.9406 0.9567 0.9567 1.2120 1.2120 1.2275 1.2275 1.3109 1.3109 4.8225 4.8225 4.8641 4.8641 7.6423 7.6423 7.7780 7.7780 8.1687 8.1687 9.2614 9.2614 9.9899 9.9899 10.1388 10.1388 10.4963 10.4963 10.9029 10.9029 11.1460 11.1460 11.2129 11.2129 11.2352 11.2352 12.2541 12.2541 12.2880 12.2880 12.5347 12.5347 13.2208 13.2208 k =-0.4729 0.3562 0.5898 ( 9852 PWs) bands (ev): -59.8655 -59.8655 -59.8540 -59.8540 -31.9709 -31.9709 -31.9271 -31.9271 -31.0375 -31.0375 -30.9611 -30.9611 -30.9425 -30.9425 -30.9400 -30.9400 0.9482 0.9482 1.2035 1.2035 1.2190 1.2190 1.3587 1.3587 4.7970 4.7970 4.8114 4.8114 7.6510 7.6510 7.7838 7.7838 8.2982 8.2982 9.1257 9.1257 9.9826 9.9826 10.1374 10.1374 10.5260 10.5260 10.9076 10.9076 11.1451 11.1451 11.2277 11.2277 11.2483 11.2483 12.3435 12.3435 12.3742 12.3742 12.5525 12.5525 13.1043 13.1043 k =-0.4819 0.3418 0.5898 ( 9864 PWs) bands (ev): -59.8662 -59.8662 -59.8542 -59.8542 -31.9711 -31.9711 -31.9270 -31.9270 -31.0379 -31.0379 -30.9612 -30.9612 -30.9425 -30.9425 -30.9398 -30.9398 0.9421 0.9421 1.1974 1.1974 1.2129 1.2129 1.3940 1.3940 4.7484 4.7484 4.8026 4.8026 7.6574 7.6574 7.7884 7.7884 8.4284 8.4284 8.9913 8.9913 9.9746 9.9746 10.1364 10.1364 10.5476 10.5476 10.9122 10.9122 11.1441 11.1441 11.2372 11.2372 11.2569 11.2569 12.4311 12.4311 12.4536 12.4536 12.5580 12.5580 12.9976 12.9976 k =-0.4910 0.3273 0.5898 ( 9852 PWs) bands (ev): -59.8662 -59.8662 -59.8532 -59.8532 -31.9711 -31.9711 -31.9269 -31.9269 -31.0379 -31.0379 -30.9612 -30.9612 -30.9423 -30.9423 -30.9395 -30.9395 0.9385 0.9385 1.1938 1.1938 1.2093 1.2093 1.4158 1.4158 4.7187 4.7187 4.7976 4.7976 7.6621 7.6621 7.7922 7.7922 8.5552 8.5552 8.8623 8.8623 9.9715 9.9715 10.1358 10.1358 10.5607 10.5607 10.9153 10.9153 11.1436 11.1436 11.2435 11.2435 11.2627 11.2627 12.5060 12.5060 12.5160 12.5160 12.5640 12.5640 12.9133 12.9133 k =-0.5000 0.3129 0.5898 ( 9852 PWs) bands (ev): -59.8665 -59.8665 -59.8529 -59.8529 -31.9711 -31.9711 -31.9270 -31.9270 -31.0379 -31.0379 -30.9613 -30.9613 -30.9423 -30.9423 -30.9395 -30.9395 0.9373 0.9373 1.1925 1.1925 1.2081 1.2081 1.4231 1.4231 4.7087 4.7087 4.7959 4.7959 7.6634 7.6634 7.7932 7.7932 8.6379 8.6379 8.7787 8.7787 9.9700 9.9700 10.1356 10.1356 10.5650 10.5650 10.9162 10.9162 11.1431 11.1431 11.2447 11.2447 11.2638 11.2638 12.5390 12.5390 12.5423 12.5423 12.5660 12.5660 12.8763 12.8763 k = 0.0000 0.0000 0.5898 ( 9868 PWs) bands (ev): -59.8692 -59.8692 -59.8518 -59.8518 -31.9713 -31.9713 -31.9271 -31.9271 -31.0380 -31.0380 -30.9613 -30.9613 -30.9427 -30.9427 -30.9398 -30.9398 -0.6006 -0.6006 0.4569 0.4569 2.1178 2.1178 3.4199 3.4199 6.2643 6.2643 6.7752 6.7752 7.3859 7.3859 7.4407 7.4407 7.9087 7.9087 8.2817 8.2817 8.5036 8.5036 9.2802 9.2802 9.8823 9.8823 10.1583 10.1583 10.9351 10.9351 11.2255 11.2255 11.3649 11.3649 11.6238 11.6238 12.2552 12.2552 12.5573 12.5573 13.0293 13.0293 k = 0.0089 0.0143 0.5898 ( 9872 PWs) bands (ev): -59.8688 -59.8688 -59.8524 -59.8524 -31.9713 -31.9713 -31.9271 -31.9271 -31.0380 -31.0380 -30.9613 -30.9613 -30.9429 -30.9429 -30.9397 -30.9397 -0.5993 -0.5993 0.4583 0.4583 2.1133 2.1133 3.4149 3.4149 6.2695 6.2695 6.7754 6.7754 7.3910 7.3910 7.4455 7.4455 7.9092 7.9092 8.2814 8.2814 8.5034 8.5034 9.2781 9.2781 9.8830 9.8830 10.1521 10.1521 10.9324 10.9324 11.2271 11.2271 11.3688 11.3688 11.6259 11.6259 12.2528 12.2528 12.5494 12.5494 13.0269 13.0269 k = 0.0179 0.0285 0.5898 ( 9864 PWs) bands (ev): -59.8679 -59.8679 -59.8528 -59.8528 -31.9713 -31.9713 -31.9270 -31.9270 -31.0379 -31.0379 -30.9611 -30.9611 -30.9429 -30.9429 -30.9398 -30.9398 -0.5954 -0.5954 0.4626 0.4626 2.1000 2.1000 3.4000 3.4000 6.2848 6.2848 6.7761 6.7761 7.4056 7.4056 7.4608 7.4608 7.9114 7.9114 8.2824 8.2824 8.5029 8.5029 9.2728 9.2728 9.8815 9.8815 10.1371 10.1371 10.9273 10.9273 11.2297 11.2297 11.3807 11.3807 11.6308 11.6308 12.2514 12.2514 12.5286 12.5286 13.0196 13.0196 k = 0.0268 0.0428 0.5898 ( 9868 PWs) bands (ev): -59.8684 -59.8684 -59.8525 -59.8525 -31.9710 -31.9710 -31.9273 -31.9273 -31.0376 -31.0376 -30.9611 -30.9611 -30.9429 -30.9429 -30.9404 -30.9404 -0.5888 -0.5888 0.4697 0.4697 2.0782 2.0782 3.3756 3.3756 6.3100 6.3100 6.7779 6.7779 7.4263 7.4263 7.4891 7.4891 7.9146 7.9146 8.2843 8.2843 8.5020 8.5020 9.2638 9.2638 9.8760 9.8760 10.1152 10.1152 10.9215 10.9215 11.2259 11.2259 11.3992 11.3992 11.6330 11.6330 12.2463 12.2463 12.4972 12.4972 13.0114 13.0114 k = 0.0357 0.0571 0.5898 ( 9872 PWs) bands (ev): -59.8687 -59.8687 -59.8526 -59.8526 -31.9707 -31.9707 -31.9275 -31.9275 -31.0371 -31.0371 -30.9610 -30.9610 -30.9430 -30.9430 -30.9410 -30.9410 -0.5797 -0.5797 0.4796 0.4796 2.0482 2.0482 3.3420 3.3420 6.3444 6.3444 6.7812 6.7812 7.4508 7.4508 7.5317 7.5317 7.9188 7.9188 8.2871 8.2871 8.5008 8.5008 9.2512 9.2512 9.8674 9.8674 10.0890 10.0890 10.9111 10.9111 11.2179 11.2179 11.4261 11.4261 11.6384 11.6384 12.2391 12.2391 12.4584 12.4584 13.0012 13.0012 k = 0.0446 0.0713 0.5898 ( 9876 PWs) bands (ev): -59.8686 -59.8686 -59.8530 -59.8530 -31.9704 -31.9704 -31.9278 -31.9278 -31.0365 -31.0365 -30.9609 -30.9609 -30.9432 -30.9432 -30.9418 -30.9418 -0.5680 -0.5680 0.4924 0.4924 2.0106 2.0106 3.3001 3.3001 6.3870 6.3870 6.7864 6.7864 7.4792 7.4792 7.5875 7.5875 7.9244 7.9244 8.2899 8.2899 8.4991 8.4991 9.2349 9.2349 9.8510 9.8510 10.0644 10.0644 10.8974 10.8974 11.2047 11.2047 11.4605 11.4605 11.6476 11.6476 12.2304 12.2304 12.4150 12.4150 12.9899 12.9899 k = 0.0536 0.0856 0.5898 ( 9876 PWs) bands (ev): -59.8684 -59.8684 -59.8532 -59.8532 -31.9700 -31.9700 -31.9281 -31.9281 -31.0358 -31.0358 -30.9608 -30.9608 -30.9433 -30.9433 -30.9427 -30.9427 -0.5537 -0.5537 0.5079 0.5079 1.9660 1.9660 3.2504 3.2504 6.4370 6.4370 6.7937 6.7937 7.5125 7.5125 7.6539 7.6539 7.9310 7.9310 8.2948 8.2948 8.4972 8.4972 9.2147 9.2147 9.8240 9.8240 10.0474 10.0474 10.8822 10.8822 11.1862 11.1862 11.5003 11.5003 11.6602 11.6602 12.2186 12.2186 12.3693 12.3693 12.9746 12.9746 k = 0.0625 0.0999 0.5898 ( 9872 PWs) bands (ev): -59.8683 -59.8683 -59.8531 -59.8531 -31.9695 -31.9695 -31.9285 -31.9285 -31.0348 -31.0348 -30.9606 -30.9606 -30.9437 -30.9437 -30.9434 -30.9434 -0.5367 -0.5367 0.5263 0.5263 1.9152 1.9152 3.1939 3.1939 6.4932 6.4932 6.8039 6.8039 7.5515 7.5515 7.7292 7.7292 7.9387 7.9387 8.3003 8.3003 8.4948 8.4948 9.1914 9.1914 9.7851 9.7851 10.0390 10.0390 10.8661 10.8661 11.1624 11.1624 11.5432 11.5432 11.6746 11.6746 12.2053 12.2053 12.3257 12.3257 12.9612 12.9612 k = 0.0714 0.1142 0.5898 ( 9864 PWs) bands (ev): -59.8684 -59.8684 -59.8523 -59.8523 -31.9687 -31.9687 -31.9290 -31.9290 -31.0336 -31.0336 -30.9604 -30.9604 -30.9450 -30.9450 -30.9435 -30.9435 -0.5172 -0.5172 0.5475 0.5475 1.8588 1.8588 3.1314 3.1314 6.5543 6.5543 6.8170 6.8170 7.5969 7.5969 7.8107 7.8107 7.9476 7.9476 8.3067 8.3067 8.4920 8.4920 9.1658 9.1658 9.7365 9.7365 10.0390 10.0390 10.8466 10.8466 11.1352 11.1352 11.5873 11.5873 11.6902 11.6902 12.1899 12.1899 12.2879 12.2879 12.9493 12.9493 k = 0.0804 0.1284 0.5898 ( 9860 PWs) bands (ev): -59.8679 -59.8679 -59.8526 -59.8526 -31.9681 -31.9681 -31.9294 -31.9294 -31.0324 -31.0324 -30.9602 -30.9602 -30.9463 -30.9463 -30.9438 -30.9438 -0.4952 -0.4952 0.5715 0.5715 1.7976 1.7976 3.0637 3.0637 6.6189 6.6189 6.8329 6.8329 7.6489 7.6489 7.8913 7.8913 7.9634 7.9634 8.3145 8.3145 8.4889 8.4889 9.1359 9.1359 9.6820 9.6820 10.0453 10.0453 10.8250 10.8250 11.1054 11.1054 11.6323 11.6323 11.7090 11.7090 12.1723 12.1723 12.2503 12.2503 12.9346 12.9346 k = 0.0893 0.1427 0.5898 ( 9858 PWs) bands (ev): -59.8675 -59.8675 -59.8528 -59.8528 -31.9674 -31.9674 -31.9299 -31.9299 -31.0311 -31.0311 -30.9599 -30.9599 -30.9477 -30.9477 -30.9440 -30.9440 -0.4705 -0.4705 0.5983 0.5983 1.7322 1.7322 2.9916 2.9916 6.6858 6.6858 6.8521 6.8521 7.7079 7.7079 7.9402 7.9402 8.0141 8.0141 8.3243 8.3243 8.4855 8.4855 9.1028 9.1028 9.6244 9.6244 10.0566 10.0566 10.8019 10.8019 11.0712 11.0712 11.6766 11.6766 11.7298 11.7298 12.1523 12.1523 12.2169 12.2169 12.9209 12.9209 k = 0.0982 0.1570 0.5898 ( 9848 PWs) bands (ev): -59.8666 -59.8666 -59.8529 -59.8529 -31.9666 -31.9666 -31.9304 -31.9304 -31.0297 -31.0297 -30.9595 -30.9595 -30.9493 -30.9493 -30.9442 -30.9442 -0.4433 -0.4433 0.6278 0.6278 1.6633 1.6633 2.9158 2.9158 6.7533 6.7533 6.8750 6.8750 7.7737 7.7737 7.9552 7.9552 8.0992 8.0992 8.3371 8.3371 8.4821 8.4821 9.0671 9.0671 9.5662 9.5662 10.0722 10.0722 10.7782 10.7782 11.0340 11.0340 11.7198 11.7198 11.7538 11.7538 12.1313 12.1313 12.1888 12.1888 12.9082 12.9082 k = 0.1071 0.1712 0.5898 ( 9842 PWs) bands (ev): -59.8666 -59.8666 -59.8524 -59.8524 -31.9656 -31.9656 -31.9311 -31.9311 -31.0280 -31.0280 -30.9592 -30.9592 -30.9511 -30.9511 -30.9444 -30.9444 -0.4136 -0.4136 0.6601 0.6601 1.5916 1.5916 2.8370 2.8370 6.8193 6.8193 6.9026 6.9026 7.8458 7.8458 7.9630 7.9630 8.1861 8.1861 8.3564 8.3564 8.4794 8.4794 9.0295 9.0295 9.5085 9.5085 10.0893 10.0893 10.7538 10.7538 10.9928 10.9928 11.7589 11.7589 11.7799 11.7799 12.1073 12.1073 12.1679 12.1679 12.8986 12.8986 k = 0.1161 0.1855 0.5898 ( 9858 PWs) bands (ev): -59.8669 -59.8669 -59.8534 -59.8534 -31.9648 -31.9648 -31.9319 -31.9319 -31.0265 -31.0265 -30.9589 -30.9589 -30.9532 -30.9532 -30.9448 -30.9448 -0.3814 -0.3814 0.6951 0.6951 1.5175 1.5175 2.7559 2.7559 6.8793 6.8793 6.9386 6.9386 7.9208 7.9208 7.9700 7.9700 8.2582 8.2582 8.3889 8.3889 8.4799 8.4799 8.9894 8.9894 9.4519 9.4519 10.1072 10.1072 10.7279 10.7279 10.9479 10.9479 11.7925 11.7925 11.8105 11.8105 12.0827 12.0827 12.1483 12.1483 12.8907 12.8907 k = 0.1250 0.1998 0.5898 ( 9870 PWs) bands (ev): -59.8669 -59.8669 -59.8543 -59.8543 -31.9639 -31.9639 -31.9327 -31.9327 -31.0248 -31.0248 -30.9586 -30.9586 -30.9553 -30.9553 -30.9453 -30.9453 -0.3466 -0.3466 0.7328 0.7328 1.4417 1.4417 2.6729 2.6729 6.9271 6.9271 6.9887 6.9887 7.9601 7.9601 8.0139 8.0139 8.3022 8.3022 8.4331 8.4331 8.4981 8.4981 8.9485 8.9485 9.3989 9.3989 10.1277 10.1277 10.7016 10.7016 10.9015 10.9015 11.8227 11.8227 11.8432 11.8432 12.0581 12.0581 12.1348 12.1348 12.8859 12.8859 k = 0.1339 0.2140 0.5898 ( 9874 PWs) bands (ev): -59.8669 -59.8669 -59.8546 -59.8546 -31.9629 -31.9629 -31.9336 -31.9336 -31.0229 -31.0229 -30.9583 -30.9583 -30.9574 -30.9574 -30.9457 -30.9457 -0.3094 -0.3094 0.7732 0.7732 1.3646 1.3646 2.5887 2.5887 6.9660 6.9660 7.0493 7.0493 7.9606 7.9606 8.0944 8.0944 8.3259 8.3259 8.4536 8.4536 8.5628 8.5628 8.9081 8.9081 9.3504 9.3504 10.1500 10.1500 10.6761 10.6761 10.8515 10.8515 11.8546 11.8546 11.8763 11.8763 12.0336 12.0336 12.1275 12.1275 12.8846 12.8846 k = 0.1429 0.2283 0.5898 ( 9860 PWs) bands (ev): -59.8654 -59.8654 -59.8550 -59.8550 -31.9619 -31.9619 -31.9343 -31.9343 -31.0209 -31.0209 -30.9595 -30.9595 -30.9577 -30.9577 -30.9461 -30.9461 -0.2697 -0.2697 0.8162 0.8162 1.2866 1.2866 2.5037 2.5037 7.0028 7.0028 7.1133 7.1133 7.9550 7.9550 8.1728 8.1728 8.3391 8.3391 8.4675 8.4675 8.6476 8.6476 8.8702 8.8702 9.3078 9.3078 10.1756 10.1756 10.6511 10.6511 10.8016 10.8016 11.8887 11.8887 11.9103 11.9103 12.0108 12.0108 12.1267 12.1267 12.8870 12.8870 k = 0.1518 0.2426 0.5898 ( 9864 PWs) bands (ev): -59.8654 -59.8654 -59.8554 -59.8554 -31.9608 -31.9608 -31.9352 -31.9352 -31.0188 -31.0188 -30.9618 -30.9618 -30.9574 -30.9574 -30.9465 -30.9465 -0.2276 -0.2276 0.8619 0.8619 1.2082 1.2082 2.4182 2.4182 7.0402 7.0402 7.1779 7.1779 7.9444 7.9444 8.2381 8.2381 8.3432 8.3432 8.4938 8.4938 8.7339 8.7339 8.8386 8.8386 9.2703 9.2703 10.2008 10.2008 10.6257 10.6257 10.7477 10.7477 11.9175 11.9175 11.9437 11.9437 11.9896 11.9896 12.1322 12.1322 12.8940 12.8940 k = 0.1607 0.2569 0.5898 ( 9860 PWs) bands (ev): -59.8650 -59.8650 -59.8554 -59.8554 -31.9596 -31.9596 -31.9362 -31.9362 -31.0165 -31.0165 -30.9643 -30.9643 -30.9569 -30.9569 -30.9470 -30.9470 -0.1830 -0.1830 0.9102 0.9102 1.1295 1.1295 2.3327 2.3327 7.0791 7.0791 7.2423 7.2423 7.9288 7.9288 8.2824 8.2824 8.3401 8.3401 8.5357 8.5357 8.8111 8.8111 8.8265 8.8265 9.2391 9.2391 10.2268 10.2268 10.5988 10.5988 10.6945 10.6945 11.9398 11.9398 11.9732 11.9732 11.9826 11.9826 12.1446 12.1446 12.9049 12.9049 k = 0.1696 0.2711 0.5898 ( 9838 PWs) bands (ev): -59.8630 -59.8630 -59.8557 -59.8557 -31.9584 -31.9584 -31.9369 -31.9369 -31.0142 -31.0142 -30.9663 -30.9663 -30.9563 -30.9563 -30.9474 -30.9474 -0.1361 -0.1361 0.9611 0.9611 1.0511 1.0511 2.2473 2.2473 7.1197 7.1197 7.3063 7.3063 7.9083 7.9083 8.2966 8.2966 8.3411 8.3411 8.5744 8.5744 8.8327 8.8327 8.8938 8.8938 9.2152 9.2152 10.2561 10.2561 10.5657 10.5657 10.6485 10.6485 11.9450 11.9450 11.9742 11.9742 12.0280 12.0280 12.1635 12.1635 12.9201 12.9201 k = 0.1786 0.2854 0.5898 ( 9838 PWs) bands (ev): -59.8626 -59.8626 -59.8561 -59.8561 -31.9573 -31.9573 -31.9380 -31.9380 -31.0118 -31.0118 -30.9689 -30.9689 -30.9559 -30.9559 -30.9478 -30.9478 -0.0868 -0.0868 0.9727 0.9727 1.0148 1.0148 2.1625 2.1625 7.1619 7.1619 7.3699 7.3699 7.8828 7.8828 8.2795 8.2795 8.3555 8.3555 8.5875 8.5875 8.8894 8.8894 8.9607 8.9607 9.1975 9.1975 10.2825 10.2825 10.5171 10.5171 10.6138 10.6138 11.9362 11.9362 11.9866 11.9866 12.0732 12.0732 12.1886 12.1886 12.9382 12.9382 k = 0.1875 0.2997 0.5898 ( 9844 PWs) bands (ev): -59.8630 -59.8630 -59.8562 -59.8562 -31.9560 -31.9560 -31.9391 -31.9391 -31.0093 -31.0093 -30.9716 -30.9716 -30.9555 -30.9555 -30.9483 -30.9483 -0.0352 -0.0352 0.8954 0.8954 1.0705 1.0705 2.0785 2.0785 7.2055 7.2055 7.4331 7.4331 7.8526 7.8526 8.2481 8.2481 8.3717 8.3717 8.5794 8.5794 8.9786 8.9786 9.0186 9.0186 9.1869 9.1869 10.3066 10.3066 10.4545 10.4545 10.5916 10.5916 11.9284 11.9284 11.9976 11.9976 12.1196 12.1196 12.2206 12.2206 12.9611 12.9611 k = 0.1964 0.3139 0.5898 ( 9842 PWs) bands (ev): -59.8631 -59.8631 -59.8560 -59.8560 -31.9547 -31.9547 -31.9403 -31.9403 -31.0067 -31.0067 -30.9744 -30.9744 -30.9551 -30.9551 -30.9487 -30.9487 0.0186 0.0186 0.8188 0.8188 1.1288 1.1288 1.9954 1.9954 7.2507 7.2507 7.4959 7.4959 7.8184 7.8184 8.2084 8.2084 8.3864 8.3864 8.5626 8.5626 9.0672 9.0672 9.0798 9.0798 9.1871 9.1871 10.3219 10.3219 10.3920 10.3920 10.5763 10.5763 11.9253 11.9253 12.0065 12.0065 12.1683 12.1683 12.2598 12.2598 12.9796 12.9796 k = 0.2054 0.3282 0.5898 ( 9858 PWs) bands (ev): -59.8623 -59.8623 -59.8580 -59.8580 -31.9537 -31.9537 -31.9414 -31.9414 -31.0045 -31.0045 -30.9771 -30.9771 -30.9545 -30.9545 -30.9493 -30.9493 0.0747 0.0747 0.7432 0.7432 1.1895 1.1895 1.9135 1.9135 7.2974 7.2974 7.5578 7.5578 7.7809 7.7809 8.1624 8.1624 8.3991 8.3991 8.5443 8.5443 9.1041 9.1041 9.1496 9.1496 9.2301 9.2301 10.2808 10.2808 10.3794 10.3794 10.5609 10.5609 11.9274 11.9274 12.0098 12.0098 12.2232 12.2232 12.3044 12.3044 12.9325 12.9325 k = 0.2143 0.3425 0.5898 ( 9854 PWs) bands (ev): -59.8619 -59.8619 -59.8581 -59.8581 -31.9524 -31.9524 -31.9425 -31.9425 -31.0018 -31.0018 -30.9798 -30.9798 -30.9540 -30.9540 -30.9498 -30.9498 0.1329 0.1329 0.6689 0.6689 1.2526 1.2526 1.8329 1.8329 7.3451 7.3451 7.6169 7.6169 7.7428 7.7428 8.1118 8.1118 8.4130 8.4130 8.5270 8.5270 9.1317 9.1317 9.1636 9.1636 9.3359 9.3359 10.1995 10.1995 10.4002 10.4002 10.5486 10.5486 11.9331 11.9331 12.0104 12.0104 12.2824 12.2824 12.3590 12.3590 12.8552 12.8552 k = 0.2232 0.3567 0.5898 ( 9864 PWs) bands (ev): -59.8614 -59.8614 -59.8593 -59.8593 -31.9512 -31.9512 -31.9437 -31.9437 -30.9992 -30.9992 -30.9826 -30.9826 -30.9535 -30.9535 -30.9505 -30.9505 0.1933 0.1933 0.5959 0.5959 1.3180 1.3180 1.7538 1.7538 7.3936 7.3936 7.6563 7.6563 7.7217 7.7217 8.0571 8.0571 8.4256 8.4256 8.5103 8.5103 9.1507 9.1507 9.1701 9.1701 9.4522 9.4522 10.1079 10.1079 10.4238 10.4238 10.5352 10.5352 11.9418 11.9418 12.0062 12.0062 12.3433 12.3433 12.4184 12.4184 12.7745 12.7745 k = 0.2321 0.3710 0.5898 ( 9880 PWs) bands (ev): -59.8619 -59.8619 -59.8601 -59.8601 -31.9500 -31.9500 -31.9451 -31.9451 -30.9966 -30.9966 -30.9855 -30.9855 -30.9532 -30.9532 -30.9511 -30.9511 0.2557 0.2557 0.5244 0.5244 1.3855 1.3855 1.6764 1.6764 7.4425 7.4425 7.6326 7.6326 7.7613 7.7613 7.9998 7.9998 8.4387 8.4387 8.4942 8.4942 9.1629 9.1629 9.1747 9.1747 9.5694 9.5694 10.0085 10.0085 10.4466 10.4466 10.5207 10.5207 11.9520 11.9520 11.9984 11.9984 12.4051 12.4051 12.4858 12.4858 12.6978 12.6978 k = 0.2411 0.3853 0.5898 ( 9880 PWs) bands (ev): -59.8615 -59.8615 -59.8605 -59.8605 -31.9488 -31.9488 -31.9463 -31.9463 -30.9938 -30.9938 -30.9883 -30.9883 -30.9526 -30.9526 -30.9516 -30.9516 0.3201 0.3201 0.4545 0.4545 1.4553 1.4553 1.6008 1.6008 7.4918 7.4918 7.5885 7.5885 7.8198 7.8198 7.9406 7.9406 8.4521 8.4521 8.4795 8.4795 9.1708 9.1708 9.1768 9.1768 9.6849 9.6849 9.9052 9.9052 10.4683 10.4683 10.5049 10.5049 11.9645 11.9645 11.9892 11.9892 12.4712 12.4712 12.5540 12.5540 12.6318 12.6318 k = 0.2500 0.3996 0.5898 ( 9872 PWs) bands (ev): -59.8607 -59.8607 -59.8607 -59.8607 -31.9475 -31.9475 -31.9475 -31.9475 -30.9910 -30.9910 -30.9910 -30.9910 -30.9521 -30.9521 -30.9521 -30.9521 0.3864 0.3864 0.3864 0.3864 1.5270 1.5270 1.5271 1.5271 7.5407 7.5407 7.5407 7.5407 7.8803 7.8803 7.8803 7.8803 8.4656 8.4656 8.4656 8.4656 9.1759 9.1759 9.1759 9.1759 9.7971 9.7971 9.7971 9.7971 10.4893 10.4893 10.4893 10.4893 11.9771 11.9771 11.9771 11.9771 12.5375 12.5375 12.5375 12.5376 12.6612 12.6612 Writing output data file CrSb2.save init_run : 0.21s CPU 0.45s WALL ( 1 calls) electrons : 348.45s CPU 352.52s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.06s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 348.44s CPU 352.51s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.08s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.17s WALL ( 310 calls) cegterg : 320.12s CPU 322.90s WALL ( 548 calls) Called by sum_band: Called by *egterg: h_psi : 208.34s CPU 210.49s WALL ( 9493 calls) s_psi : 11.73s CPU 11.85s WALL ( 9493 calls) g_psi : 0.62s CPU 0.67s WALL ( 8635 calls) cdiaghg : 73.54s CPU 74.35s WALL ( 8945 calls) cegterg:over : 16.07s CPU 16.30s WALL ( 8635 calls) cegterg:upda : 16.96s CPU 16.97s WALL ( 8635 calls) cegterg:last : 8.12s CPU 8.06s WALL ( 1353 calls) cdiaghg:chol : 4.31s CPU 4.31s WALL ( 8945 calls) cdiaghg:inve : 2.94s CPU 2.93s WALL ( 8945 calls) cdiaghg:para : 4.52s CPU 4.77s WALL ( 17890 calls) Called by h_psi: h_psi:vloc : 177.71s CPU 179.77s WALL ( 9493 calls) h_psi:vnl : 29.78s CPU 29.99s WALL ( 9493 calls) add_vuspsi : 15.70s CPU 15.89s WALL ( 9493 calls) General routines calbec : 14.05s CPU 14.07s WALL ( 9493 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 168.52s CPU 170.59s WALL ( 963416 calls) davcio : 0.32s CPU 0.47s WALL ( 620 calls) Parallel routines fft_scatter : 55.15s CPU 56.02s WALL ( 963431 calls) PWSCF : 6m16.77s CPU 6m38.05s WALL This run was terminated on: 17:44:25 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=