Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19: 3:20 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: ./Zr2Ga.save/ file Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 49 40 11 1439 1086 167 Max 50 41 12 1443 1103 171 Sum 1765 1471 421 51893 39455 6089 bravais-lattice index = 14 lattice parameter (alat) = 10.3313 a.u. unit-cell volume = 825.4903 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 240.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.331268 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.247257 celldm(5)= -0.247257 celldm(6)= -0.505485 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.505485 0.862835 0.000000 ) a(3) = ( -0.247257 -0.431418 0.867607 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.585842 0.576297 ) b(2) = ( 0.000000 1.158970 0.576297 ) b(3) = ( 0.000000 0.000000 1.152595 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Ga read from file: /users/gautes/Pseudo/Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF MD5 check sum: a45069c11dc40ba088a6a50723da268c Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1205 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 Zr 4.00 91.22400 Zr( 1.00) Ga 13.00 69.72300 Ga( 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 =( 0.2472573 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.4314176 ) ( 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 =( -0.7527427 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.4314176 ) ( 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= 305 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032787 k( 2) = ( 0.0000000 0.0000000 0.0169499), wk = 0.0032787 k( 3) = ( 0.0000000 0.0000000 0.0338998), wk = 0.0032787 k( 4) = ( 0.0000000 0.0000000 0.0508498), wk = 0.0032787 k( 5) = ( 0.0000000 0.0000000 0.0677997), wk = 0.0032787 k( 6) = ( 0.0000000 0.0000000 0.0847496), wk = 0.0032787 k( 7) = ( 0.0000000 0.0000000 0.1016996), wk = 0.0032787 k( 8) = ( 0.0000000 0.0000000 0.1186495), wk = 0.0032787 k( 9) = ( 0.0000000 0.0000000 0.1355994), wk = 0.0032787 k( 10) = ( 0.0000000 0.0000000 0.1525493), wk = 0.0032787 k( 11) = ( 0.0000000 0.0000000 0.1694993), wk = 0.0032787 k( 12) = ( 0.0000000 0.0000000 0.1864492), wk = 0.0032787 k( 13) = ( 0.0000000 0.0000000 0.2033991), wk = 0.0032787 k( 14) = ( 0.0000000 0.0000000 0.2203490), wk = 0.0032787 k( 15) = ( 0.0000000 0.0000000 0.2372990), wk = 0.0032787 k( 16) = ( 0.0000000 0.0000000 0.2542489), wk = 0.0032787 k( 17) = ( 0.0000000 0.0000000 0.2711988), wk = 0.0032787 k( 18) = ( 0.0000000 0.0000000 0.2881487), wk = 0.0032787 k( 19) = ( 0.0000000 0.0000000 0.3050987), wk = 0.0032787 k( 20) = ( 0.0000000 0.0000000 0.3220486), wk = 0.0032787 k( 21) = ( 0.0000000 0.0000000 0.3389985), wk = 0.0032787 k( 22) = ( 0.0000000 0.0000000 0.3559484), wk = 0.0032787 k( 23) = ( 0.0000000 0.0000000 0.3728984), wk = 0.0032787 k( 24) = ( 0.0000000 0.0000000 0.3898483), wk = 0.0032787 k( 25) = ( 0.0000000 0.0000000 0.4067982), wk = 0.0032787 k( 26) = ( 0.0000000 0.0000000 0.4237482), wk = 0.0032787 k( 27) = ( 0.0000000 0.0000000 0.4406981), wk = 0.0032787 k( 28) = ( 0.0000000 0.0000000 0.4576480), wk = 0.0032787 k( 29) = ( 0.0000000 0.0000000 0.4745979), wk = 0.0032787 k( 30) = ( 0.0000000 0.0000000 0.4915479), wk = 0.0032787 k( 31) = ( 0.0000000 0.0000000 0.5084978), wk = 0.0032787 k( 32) = ( 0.0000000 0.0000000 0.5254477), wk = 0.0032787 k( 33) = ( 0.0000000 0.0000000 0.5423976), wk = 0.0032787 k( 34) = ( 0.0000000 0.0000000 0.5593476), wk = 0.0032787 k( 35) = ( 0.0000000 0.0000000 0.5762975), wk = 0.0032787 k( 36) = ( 0.0000000 0.0000000 0.5762975), wk = 0.0032787 k( 37) = ( -0.0147059 0.0084283 0.5762975), wk = 0.0032787 k( 38) = ( -0.0294118 0.0168567 0.5762975), wk = 0.0032787 k( 39) = ( -0.0441177 0.0252850 0.5762975), wk = 0.0032787 k( 40) = ( -0.0588235 0.0337134 0.5762975), wk = 0.0032787 k( 41) = ( -0.0735294 0.0421417 0.5762975), wk = 0.0032787 k( 42) = ( -0.0882353 0.0505701 0.5762975), wk = 0.0032787 k( 43) = ( -0.1029412 0.0589984 0.5762975), wk = 0.0032787 k( 44) = ( -0.1176471 0.0674268 0.5762975), wk = 0.0032787 k( 45) = ( -0.1323529 0.0758551 0.5762975), wk = 0.0032787 k( 46) = ( -0.1470588 0.0842835 0.5762975), wk = 0.0032787 k( 47) = ( -0.1617647 0.0927118 0.5762975), wk = 0.0032787 k( 48) = ( -0.1764706 0.1011402 0.5762975), wk = 0.0032787 k( 49) = ( -0.1911765 0.1095685 0.5762975), wk = 0.0032787 k( 50) = ( -0.2058823 0.1179968 0.5762975), wk = 0.0032787 k( 51) = ( -0.2205882 0.1264252 0.5762975), wk = 0.0032787 k( 52) = ( -0.2352941 0.1348535 0.5762975), wk = 0.0032787 k( 53) = ( -0.2500000 0.1432819 0.5762975), wk = 0.0032787 k( 54) = ( -0.2647059 0.1517102 0.5762975), wk = 0.0032787 k( 55) = ( -0.2794118 0.1601386 0.5762975), wk = 0.0032787 k( 56) = ( -0.2941177 0.1685669 0.5762975), wk = 0.0032787 k( 57) = ( -0.3088235 0.1769953 0.5762975), wk = 0.0032787 k( 58) = ( -0.3235294 0.1854236 0.5762975), wk = 0.0032787 k( 59) = ( -0.3382353 0.1938520 0.5762975), wk = 0.0032787 k( 60) = ( -0.3529412 0.2022803 0.5762975), wk = 0.0032787 k( 61) = ( -0.3676471 0.2107087 0.5762975), wk = 0.0032787 k( 62) = ( -0.3823529 0.2191370 0.5762975), wk = 0.0032787 k( 63) = ( -0.3970588 0.2275653 0.5762975), wk = 0.0032787 k( 64) = ( -0.4117647 0.2359937 0.5762975), wk = 0.0032787 k( 65) = ( -0.4264706 0.2444220 0.5762975), wk = 0.0032787 k( 66) = ( -0.4411765 0.2528504 0.5762975), wk = 0.0032787 k( 67) = ( -0.4558823 0.2612787 0.5762975), wk = 0.0032787 k( 68) = ( -0.4705882 0.2697071 0.5762975), wk = 0.0032787 k( 69) = ( -0.4852941 0.2781354 0.5762975), wk = 0.0032787 k( 70) = ( -0.5000000 0.2865638 0.5762975), wk = 0.0032787 k( 71) = ( -0.5000000 0.2865638 0.5762975), wk = 0.0032787 k( 72) = ( -0.4893617 0.2804667 0.5640358), wk = 0.0032787 k( 73) = ( -0.4787234 0.2743696 0.5517742), wk = 0.0032787 k( 74) = ( -0.4680851 0.2682725 0.5395125), wk = 0.0032787 k( 75) = ( -0.4574468 0.2621754 0.5272509), wk = 0.0032787 k( 76) = ( -0.4468085 0.2560783 0.5149892), wk = 0.0032787 k( 77) = ( -0.4361702 0.2499812 0.5027276), wk = 0.0032787 k( 78) = ( -0.4255319 0.2438841 0.4904659), wk = 0.0032787 k( 79) = ( -0.4148936 0.2377870 0.4782043), wk = 0.0032787 k( 80) = ( -0.4042553 0.2316899 0.4659427), wk = 0.0032787 k( 81) = ( -0.3936170 0.2255928 0.4536810), wk = 0.0032787 k( 82) = ( -0.3829787 0.2194957 0.4414193), wk = 0.0032787 k( 83) = ( -0.3723404 0.2133986 0.4291577), wk = 0.0032787 k( 84) = ( -0.3617021 0.2073015 0.4168961), wk = 0.0032787 k( 85) = ( -0.3510638 0.2012044 0.4046344), wk = 0.0032787 k( 86) = ( -0.3404255 0.1951072 0.3923728), wk = 0.0032787 k( 87) = ( -0.3297872 0.1890101 0.3801111), wk = 0.0032787 k( 88) = ( -0.3191489 0.1829130 0.3678495), wk = 0.0032787 k( 89) = ( -0.3085106 0.1768159 0.3555878), wk = 0.0032787 k( 90) = ( -0.2978723 0.1707188 0.3433262), wk = 0.0032787 k( 91) = ( -0.2872340 0.1646217 0.3310645), wk = 0.0032787 k( 92) = ( -0.2765957 0.1585246 0.3188029), wk = 0.0032787 k( 93) = ( -0.2659574 0.1524275 0.3065412), wk = 0.0032787 k( 94) = ( -0.2553191 0.1463304 0.2942796), wk = 0.0032787 k( 95) = ( -0.2446809 0.1402333 0.2820179), wk = 0.0032787 k( 96) = ( -0.2340425 0.1341362 0.2697563), wk = 0.0032787 k( 97) = ( -0.2234043 0.1280391 0.2574946), wk = 0.0032787 k( 98) = ( -0.2127660 0.1219420 0.2452330), wk = 0.0032787 k( 99) = ( -0.2021277 0.1158449 0.2329713), wk = 0.0032787 k( 100) = ( -0.1914894 0.1097478 0.2207097), wk = 0.0032787 k( 101) = ( -0.1808511 0.1036507 0.2084480), wk = 0.0032787 k( 102) = ( -0.1702128 0.0975536 0.1961864), wk = 0.0032787 k( 103) = ( -0.1595745 0.0914565 0.1839247), wk = 0.0032787 k( 104) = ( -0.1489362 0.0853594 0.1716631), wk = 0.0032787 k( 105) = ( -0.1382979 0.0792623 0.1594014), wk = 0.0032787 k( 106) = ( -0.1276596 0.0731652 0.1471398), wk = 0.0032787 k( 107) = ( -0.1170213 0.0670681 0.1348781), wk = 0.0032787 k( 108) = ( -0.1063830 0.0609710 0.1226165), wk = 0.0032787 k( 109) = ( -0.0957447 0.0548739 0.1103548), wk = 0.0032787 k( 110) = ( -0.0851064 0.0487768 0.0980932), wk = 0.0032787 k( 111) = ( -0.0744681 0.0426797 0.0858315), wk = 0.0032787 k( 112) = ( -0.0638298 0.0365826 0.0735699), wk = 0.0032787 k( 113) = ( -0.0531915 0.0304855 0.0613082), wk = 0.0032787 k( 114) = ( -0.0425532 0.0243884 0.0490466), wk = 0.0032787 k( 115) = ( -0.0319149 0.0182913 0.0367849), wk = 0.0032787 k( 116) = ( -0.0212766 0.0121942 0.0245233), wk = 0.0032787 k( 117) = ( -0.0106383 0.0060971 0.0122617), wk = 0.0032787 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032787 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032787 k( 120) = ( 0.0086300 0.0150576 0.0000000), wk = 0.0032787 k( 121) = ( 0.0172599 0.0301153 0.0000000), wk = 0.0032787 k( 122) = ( 0.0258898 0.0451729 0.0000000), wk = 0.0032787 k( 123) = ( 0.0345198 0.0602306 0.0000000), wk = 0.0032787 k( 124) = ( 0.0431498 0.0752882 0.0000000), wk = 0.0032787 k( 125) = ( 0.0517797 0.0903459 0.0000000), wk = 0.0032787 k( 126) = ( 0.0604097 0.1054035 0.0000000), wk = 0.0032787 k( 127) = ( 0.0690396 0.1204611 0.0000000), wk = 0.0032787 k( 128) = ( 0.0776696 0.1355188 0.0000000), wk = 0.0032787 k( 129) = ( 0.0862995 0.1505764 0.0000000), wk = 0.0032787 k( 130) = ( 0.0949294 0.1656341 0.0000000), wk = 0.0032787 k( 131) = ( 0.1035594 0.1806917 0.0000000), wk = 0.0032787 k( 132) = ( 0.1121893 0.1957494 0.0000000), wk = 0.0032787 k( 133) = ( 0.1208193 0.2108070 0.0000000), wk = 0.0032787 k( 134) = ( 0.1294492 0.2258646 0.0000000), wk = 0.0032787 k( 135) = ( 0.1380792 0.2409223 0.0000000), wk = 0.0032787 k( 136) = ( 0.1467092 0.2559799 0.0000000), wk = 0.0032787 k( 137) = ( 0.1553391 0.2710376 0.0000000), wk = 0.0032787 k( 138) = ( 0.1639691 0.2860952 0.0000000), wk = 0.0032787 k( 139) = ( 0.1725990 0.3011529 0.0000000), wk = 0.0032787 k( 140) = ( 0.1812289 0.3162105 0.0000000), wk = 0.0032787 k( 141) = ( 0.1898589 0.3312681 0.0000000), wk = 0.0032787 k( 142) = ( 0.1984888 0.3463258 0.0000000), wk = 0.0032787 k( 143) = ( 0.2071188 0.3613834 0.0000000), wk = 0.0032787 k( 144) = ( 0.2157487 0.3764411 0.0000000), wk = 0.0032787 k( 145) = ( 0.2243787 0.3914987 0.0000000), wk = 0.0032787 k( 146) = ( 0.2330087 0.4065564 0.0000000), wk = 0.0032787 k( 147) = ( 0.2416386 0.4216140 0.0000000), wk = 0.0032787 k( 148) = ( 0.2502685 0.4366716 0.0000000), wk = 0.0032787 k( 149) = ( 0.2588985 0.4517293 0.0000000), wk = 0.0032787 k( 150) = ( 0.2675284 0.4667869 0.0000000), wk = 0.0032787 k( 151) = ( 0.2761584 0.4818446 0.0000000), wk = 0.0032787 k( 152) = ( 0.2847883 0.4969022 0.0000000), wk = 0.0032787 k( 153) = ( 0.2934183 0.5119598 0.0000000), wk = 0.0032787 k( 154) = ( 0.3020482 0.5270175 0.0000000), wk = 0.0032787 k( 155) = ( 0.3106782 0.5420751 0.0000000), wk = 0.0032787 k( 156) = ( 0.3193081 0.5571328 0.0000000), wk = 0.0032787 k( 157) = ( 0.3279381 0.5721904 0.0000000), wk = 0.0032787 k( 158) = ( 0.3365680 0.5872481 0.0000000), wk = 0.0032787 k( 159) = ( 0.3451980 0.6023057 0.0000000), wk = 0.0032787 k( 160) = ( 0.3538279 0.6173633 0.0000000), wk = 0.0032787 k( 161) = ( 0.3624579 0.6324210 0.0000000), wk = 0.0032787 k( 162) = ( 0.3710878 0.6474786 0.0000000), wk = 0.0032787 k( 163) = ( 0.3797178 0.6625363 0.0000000), wk = 0.0032787 k( 164) = ( 0.3883477 0.6775939 0.0000000), wk = 0.0032787 k( 165) = ( 0.3969777 0.6926516 0.0000000), wk = 0.0032787 k( 166) = ( 0.4056076 0.7077092 0.0000000), wk = 0.0032787 k( 167) = ( 0.4142376 0.7227668 0.0000000), wk = 0.0032787 k( 168) = ( 0.4142376 0.7227668 0.0000000), wk = 0.0032787 k( 169) = ( 0.4100264 0.7154191 0.0147769), wk = 0.0032787 k( 170) = ( 0.4058152 0.7080713 0.0295537), wk = 0.0032787 k( 171) = ( 0.4016039 0.7007235 0.0443306), wk = 0.0032787 k( 172) = ( 0.3973927 0.6933757 0.0591074), wk = 0.0032787 k( 173) = ( 0.3931815 0.6860279 0.0738843), wk = 0.0032787 k( 174) = ( 0.3889703 0.6786801 0.0886612), wk = 0.0032787 k( 175) = ( 0.3847590 0.6713323 0.1034380), wk = 0.0032787 k( 176) = ( 0.3805478 0.6639845 0.1182149), wk = 0.0032787 k( 177) = ( 0.3763366 0.6566368 0.1329917), wk = 0.0032787 k( 178) = ( 0.3721254 0.6492890 0.1477686), wk = 0.0032787 k( 179) = ( 0.3679142 0.6419412 0.1625454), wk = 0.0032787 k( 180) = ( 0.3637030 0.6345934 0.1773223), wk = 0.0032787 k( 181) = ( 0.3594917 0.6272456 0.1920992), wk = 0.0032787 k( 182) = ( 0.3552805 0.6198978 0.2068760), wk = 0.0032787 k( 183) = ( 0.3510693 0.6125500 0.2216529), wk = 0.0032787 k( 184) = ( 0.3468581 0.6052022 0.2364297), wk = 0.0032787 k( 185) = ( 0.3426469 0.5978544 0.2512066), wk = 0.0032787 k( 186) = ( 0.3384356 0.5905067 0.2659835), wk = 0.0032787 k( 187) = ( 0.3342244 0.5831589 0.2807603), wk = 0.0032787 k( 188) = ( 0.3300132 0.5758111 0.2955372), wk = 0.0032787 k( 189) = ( 0.3258020 0.5684633 0.3103140), wk = 0.0032787 k( 190) = ( 0.3215907 0.5611155 0.3250909), wk = 0.0032787 k( 191) = ( 0.3173795 0.5537677 0.3398677), wk = 0.0032787 k( 192) = ( 0.3131683 0.5464199 0.3546446), wk = 0.0032787 k( 193) = ( 0.3089571 0.5390721 0.3694215), wk = 0.0032787 k( 194) = ( 0.3047459 0.5317243 0.3841983), wk = 0.0032787 k( 195) = ( 0.3005346 0.5243765 0.3989752), wk = 0.0032787 k( 196) = ( 0.2963234 0.5170288 0.4137520), wk = 0.0032787 k( 197) = ( 0.2921122 0.5096810 0.4285289), wk = 0.0032787 k( 198) = ( 0.2879010 0.5023332 0.4433058), wk = 0.0032787 k( 199) = ( 0.2836898 0.4949854 0.4580826), wk = 0.0032787 k( 200) = ( 0.2794785 0.4876376 0.4728595), wk = 0.0032787 k( 201) = ( 0.2752673 0.4802898 0.4876363), wk = 0.0032787 k( 202) = ( 0.2710561 0.4729420 0.5024132), wk = 0.0032787 k( 203) = ( 0.2668449 0.4655942 0.5171901), wk = 0.0032787 k( 204) = ( 0.2626337 0.4582464 0.5319669), wk = 0.0032787 k( 205) = ( 0.2584224 0.4508987 0.5467438), wk = 0.0032787 k( 206) = ( 0.2542112 0.4435509 0.5615206), wk = 0.0032787 k( 207) = ( 0.2500000 0.4362031 0.5762975), wk = 0.0032787 k( 208) = ( 0.2500000 0.4362031 0.5762975), wk = 0.0032787 k( 209) = ( 0.2395833 0.4421732 0.5642913), wk = 0.0032787 k( 210) = ( 0.2291667 0.4481432 0.5522851), wk = 0.0032787 k( 211) = ( 0.2187500 0.4541133 0.5402789), wk = 0.0032787 k( 212) = ( 0.2083333 0.4600834 0.5282727), wk = 0.0032787 k( 213) = ( 0.1979167 0.4660535 0.5162665), wk = 0.0032787 k( 214) = ( 0.1875000 0.4720236 0.5042603), wk = 0.0032787 k( 215) = ( 0.1770833 0.4779936 0.4922541), wk = 0.0032787 k( 216) = ( 0.1666667 0.4839637 0.4802479), wk = 0.0032787 k( 217) = ( 0.1562500 0.4899338 0.4682417), wk = 0.0032787 k( 218) = ( 0.1458333 0.4959039 0.4562355), wk = 0.0032787 k( 219) = ( 0.1354167 0.5018739 0.4442293), wk = 0.0032787 k( 220) = ( 0.1250000 0.5078440 0.4322231), wk = 0.0032787 k( 221) = ( 0.1145833 0.5138141 0.4202169), wk = 0.0032787 k( 222) = ( 0.1041667 0.5197842 0.4082107), wk = 0.0032787 k( 223) = ( 0.0937500 0.5257543 0.3962045), wk = 0.0032787 k( 224) = ( 0.0833333 0.5317243 0.3841983), wk = 0.0032787 k( 225) = ( 0.0729167 0.5376944 0.3721921), wk = 0.0032787 k( 226) = ( 0.0625000 0.5436645 0.3601859), wk = 0.0032787 k( 227) = ( 0.0520833 0.5496346 0.3481797), wk = 0.0032787 k( 228) = ( 0.0416667 0.5556046 0.3361735), wk = 0.0032787 k( 229) = ( 0.0312500 0.5615747 0.3241673), wk = 0.0032787 k( 230) = ( 0.0208333 0.5675448 0.3121611), wk = 0.0032787 k( 231) = ( 0.0104167 0.5735149 0.3001549), wk = 0.0032787 k( 232) = ( 0.0000000 0.5794850 0.2881487), wk = 0.0032787 k( 233) = ( 0.0000000 0.5794850 0.2881487), wk = 0.0032787 k( 234) = ( -0.0133625 0.5748630 0.2974439), wk = 0.0032787 k( 235) = ( -0.0267250 0.5702410 0.3067390), wk = 0.0032787 k( 236) = ( -0.0400875 0.5656190 0.3160341), wk = 0.0032787 k( 237) = ( -0.0534500 0.5609970 0.3253292), wk = 0.0032787 k( 238) = ( -0.0668125 0.5563750 0.3346243), wk = 0.0032787 k( 239) = ( -0.0801750 0.5517530 0.3439195), wk = 0.0032787 k( 240) = ( -0.0935375 0.5471310 0.3532146), wk = 0.0032787 k( 241) = ( -0.1069000 0.5425090 0.3625097), wk = 0.0032787 k( 242) = ( -0.1202625 0.5378870 0.3718048), wk = 0.0032787 k( 243) = ( -0.1336250 0.5332650 0.3811000), wk = 0.0032787 k( 244) = ( -0.1469875 0.5286430 0.3903951), wk = 0.0032787 k( 245) = ( -0.1603500 0.5240210 0.3996902), wk = 0.0032787 k( 246) = ( -0.1737125 0.5193990 0.4089853), wk = 0.0032787 k( 247) = ( -0.1870750 0.5147770 0.4182804), wk = 0.0032787 k( 248) = ( -0.2004375 0.5101550 0.4275756), wk = 0.0032787 k( 249) = ( -0.2138000 0.5055330 0.4368707), wk = 0.0032787 k( 250) = ( -0.2271625 0.5009110 0.4461658), wk = 0.0032787 k( 251) = ( -0.2405250 0.4962890 0.4554609), wk = 0.0032787 k( 252) = ( -0.2538876 0.4916670 0.4647560), wk = 0.0032787 k( 253) = ( -0.2672501 0.4870450 0.4740512), wk = 0.0032787 k( 254) = ( -0.2806126 0.4824230 0.4833463), wk = 0.0032787 k( 255) = ( -0.2939751 0.4778010 0.4926414), wk = 0.0032787 k( 256) = ( -0.3073376 0.4731790 0.5019365), wk = 0.0032787 k( 257) = ( -0.3207001 0.4685571 0.5112316), wk = 0.0032787 k( 258) = ( -0.3340626 0.4639351 0.5205268), wk = 0.0032787 k( 259) = ( -0.3474251 0.4593131 0.5298219), wk = 0.0032787 k( 260) = ( -0.3607876 0.4546911 0.5391170), wk = 0.0032787 k( 261) = ( -0.3741501 0.4500691 0.5484121), wk = 0.0032787 k( 262) = ( -0.3875126 0.4454471 0.5577072), wk = 0.0032787 k( 263) = ( -0.4008751 0.4408251 0.5670024), wk = 0.0032787 k( 264) = ( -0.4142376 0.4362031 0.5762975), wk = 0.0032787 k( 265) = ( -0.4142376 0.4362031 0.5762975), wk = 0.0032787 k( 266) = ( -0.4228138 0.4212392 0.5762975), wk = 0.0032787 k( 267) = ( -0.4313901 0.4062752 0.5762975), wk = 0.0032787 k( 268) = ( -0.4399663 0.3913113 0.5762975), wk = 0.0032787 k( 269) = ( -0.4485425 0.3763474 0.5762975), wk = 0.0032787 k( 270) = ( -0.4571188 0.3613834 0.5762975), wk = 0.0032787 k( 271) = ( -0.4656950 0.3464195 0.5762975), wk = 0.0032787 k( 272) = ( -0.4742713 0.3314556 0.5762975), wk = 0.0032787 k( 273) = ( -0.4828475 0.3164916 0.5762975), wk = 0.0032787 k( 274) = ( -0.4914238 0.3015277 0.5762975), wk = 0.0032787 k( 275) = ( -0.5000000 0.2865638 0.5762975), wk = 0.0032787 k( 276) = ( 0.0000000 0.0000000 0.5762975), wk = 0.0032787 k( 277) = ( 0.0086207 0.0150415 0.5762975), wk = 0.0032787 k( 278) = ( 0.0172414 0.0300830 0.5762975), wk = 0.0032787 k( 279) = ( 0.0258621 0.0451245 0.5762975), wk = 0.0032787 k( 280) = ( 0.0344828 0.0601659 0.5762975), wk = 0.0032787 k( 281) = ( 0.0431035 0.0752074 0.5762975), wk = 0.0032787 k( 282) = ( 0.0517241 0.0902489 0.5762975), wk = 0.0032787 k( 283) = ( 0.0603448 0.1052904 0.5762975), wk = 0.0032787 k( 284) = ( 0.0689655 0.1203319 0.5762975), wk = 0.0032787 k( 285) = ( 0.0775862 0.1353734 0.5762975), wk = 0.0032787 k( 286) = ( 0.0862069 0.1504149 0.5762975), wk = 0.0032787 k( 287) = ( 0.0948276 0.1654563 0.5762975), wk = 0.0032787 k( 288) = ( 0.1034483 0.1804978 0.5762975), wk = 0.0032787 k( 289) = ( 0.1120690 0.1955393 0.5762975), wk = 0.0032787 k( 290) = ( 0.1206897 0.2105808 0.5762975), wk = 0.0032787 k( 291) = ( 0.1293103 0.2256223 0.5762975), wk = 0.0032787 k( 292) = ( 0.1379310 0.2406638 0.5762975), wk = 0.0032787 k( 293) = ( 0.1465517 0.2557052 0.5762975), wk = 0.0032787 k( 294) = ( 0.1551724 0.2707467 0.5762975), wk = 0.0032787 k( 295) = ( 0.1637931 0.2857882 0.5762975), wk = 0.0032787 k( 296) = ( 0.1724138 0.3008297 0.5762975), wk = 0.0032787 k( 297) = ( 0.1810345 0.3158712 0.5762975), wk = 0.0032787 k( 298) = ( 0.1896552 0.3309127 0.5762975), wk = 0.0032787 k( 299) = ( 0.1982759 0.3459542 0.5762975), wk = 0.0032787 k( 300) = ( 0.2068966 0.3609956 0.5762975), wk = 0.0032787 k( 301) = ( 0.2155172 0.3760371 0.5762975), wk = 0.0032787 k( 302) = ( 0.2241379 0.3910786 0.5762975), wk = 0.0032787 k( 303) = ( 0.2327586 0.4061201 0.5762975), wk = 0.0032787 k( 304) = ( 0.2413793 0.4211616 0.5762975), wk = 0.0032787 k( 305) = ( 0.2500000 0.4362031 0.5762975), wk = 0.0032787 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032787 k( 2) = ( 0.0000000 0.0000000 0.0147059), wk = 0.0032787 k( 3) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0032787 k( 4) = ( 0.0000000 0.0000000 0.0441177), wk = 0.0032787 k( 5) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0032787 k( 6) = ( 0.0000000 0.0000000 0.0735294), wk = 0.0032787 k( 7) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0032787 k( 8) = ( 0.0000000 0.0000000 0.1029412), wk = 0.0032787 k( 9) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0032787 k( 10) = ( 0.0000000 0.0000000 0.1323529), wk = 0.0032787 k( 11) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0032787 k( 12) = ( 0.0000000 0.0000000 0.1617647), wk = 0.0032787 k( 13) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0032787 k( 14) = ( 0.0000000 0.0000000 0.1911765), wk = 0.0032787 k( 15) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0032787 k( 16) = ( 0.0000000 0.0000000 0.2205882), wk = 0.0032787 k( 17) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0032787 k( 18) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0032787 k( 19) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0032787 k( 20) = ( 0.0000000 0.0000000 0.2794118), wk = 0.0032787 k( 21) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0032787 k( 22) = ( 0.0000000 0.0000000 0.3088235), wk = 0.0032787 k( 23) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0032787 k( 24) = ( 0.0000000 0.0000000 0.3382353), wk = 0.0032787 k( 25) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0032787 k( 26) = ( 0.0000000 0.0000000 0.3676471), wk = 0.0032787 k( 27) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0032787 k( 28) = ( 0.0000000 0.0000000 0.3970588), wk = 0.0032787 k( 29) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0032787 k( 30) = ( 0.0000000 0.0000000 0.4264706), wk = 0.0032787 k( 31) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0032787 k( 32) = ( 0.0000000 0.0000000 0.4558823), wk = 0.0032787 k( 33) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0032787 k( 34) = ( 0.0000000 0.0000000 0.4852941), wk = 0.0032787 k( 35) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032787 k( 36) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032787 k( 37) = ( -0.0147059 0.0147059 0.5000000), wk = 0.0032787 k( 38) = ( -0.0294118 0.0294118 0.5000000), wk = 0.0032787 k( 39) = ( -0.0441177 0.0441177 0.5000000), wk = 0.0032787 k( 40) = ( -0.0588235 0.0588235 0.5000000), wk = 0.0032787 k( 41) = ( -0.0735294 0.0735294 0.5000000), wk = 0.0032787 k( 42) = ( -0.0882353 0.0882353 0.5000000), wk = 0.0032787 k( 43) = ( -0.1029412 0.1029412 0.5000000), wk = 0.0032787 k( 44) = ( -0.1176471 0.1176471 0.5000000), wk = 0.0032787 k( 45) = ( -0.1323529 0.1323529 0.5000000), wk = 0.0032787 k( 46) = ( -0.1470588 0.1470588 0.5000000), wk = 0.0032787 k( 47) = ( -0.1617647 0.1617647 0.5000000), wk = 0.0032787 k( 48) = ( -0.1764706 0.1764706 0.5000000), wk = 0.0032787 k( 49) = ( -0.1911765 0.1911765 0.5000000), wk = 0.0032787 k( 50) = ( -0.2058823 0.2058823 0.5000000), wk = 0.0032787 k( 51) = ( -0.2205882 0.2205882 0.5000000), wk = 0.0032787 k( 52) = ( -0.2352941 0.2352941 0.5000000), wk = 0.0032787 k( 53) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0032787 k( 54) = ( -0.2647059 0.2647059 0.5000000), wk = 0.0032787 k( 55) = ( -0.2794118 0.2794118 0.5000000), wk = 0.0032787 k( 56) = ( -0.2941177 0.2941177 0.5000000), wk = 0.0032787 k( 57) = ( -0.3088235 0.3088235 0.5000000), wk = 0.0032787 k( 58) = ( -0.3235294 0.3235294 0.5000000), wk = 0.0032787 k( 59) = ( -0.3382353 0.3382353 0.5000000), wk = 0.0032787 k( 60) = ( -0.3529412 0.3529412 0.5000000), wk = 0.0032787 k( 61) = ( -0.3676471 0.3676471 0.5000000), wk = 0.0032787 k( 62) = ( -0.3823529 0.3823529 0.5000000), wk = 0.0032787 k( 63) = ( -0.3970588 0.3970588 0.5000000), wk = 0.0032787 k( 64) = ( -0.4117647 0.4117647 0.5000000), wk = 0.0032787 k( 65) = ( -0.4264706 0.4264706 0.5000000), wk = 0.0032787 k( 66) = ( -0.4411765 0.4411765 0.5000000), wk = 0.0032787 k( 67) = ( -0.4558823 0.4558823 0.5000000), wk = 0.0032787 k( 68) = ( -0.4705882 0.4705882 0.5000000), wk = 0.0032787 k( 69) = ( -0.4852941 0.4852941 0.5000000), wk = 0.0032787 k( 70) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0032787 k( 71) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0032787 k( 72) = ( -0.4893617 0.4893617 0.4893617), wk = 0.0032787 k( 73) = ( -0.4787234 0.4787234 0.4787234), wk = 0.0032787 k( 74) = ( -0.4680851 0.4680851 0.4680851), wk = 0.0032787 k( 75) = ( -0.4574468 0.4574468 0.4574468), wk = 0.0032787 k( 76) = ( -0.4468085 0.4468085 0.4468085), wk = 0.0032787 k( 77) = ( -0.4361702 0.4361702 0.4361702), wk = 0.0032787 k( 78) = ( -0.4255319 0.4255319 0.4255319), wk = 0.0032787 k( 79) = ( -0.4148936 0.4148936 0.4148936), wk = 0.0032787 k( 80) = ( -0.4042553 0.4042553 0.4042553), wk = 0.0032787 k( 81) = ( -0.3936170 0.3936170 0.3936170), wk = 0.0032787 k( 82) = ( -0.3829787 0.3829787 0.3829787), wk = 0.0032787 k( 83) = ( -0.3723404 0.3723404 0.3723404), wk = 0.0032787 k( 84) = ( -0.3617021 0.3617021 0.3617021), wk = 0.0032787 k( 85) = ( -0.3510638 0.3510638 0.3510638), wk = 0.0032787 k( 86) = ( -0.3404255 0.3404255 0.3404255), wk = 0.0032787 k( 87) = ( -0.3297872 0.3297872 0.3297872), wk = 0.0032787 k( 88) = ( -0.3191489 0.3191489 0.3191489), wk = 0.0032787 k( 89) = ( -0.3085106 0.3085106 0.3085106), wk = 0.0032787 k( 90) = ( -0.2978723 0.2978723 0.2978723), wk = 0.0032787 k( 91) = ( -0.2872340 0.2872340 0.2872340), wk = 0.0032787 k( 92) = ( -0.2765957 0.2765957 0.2765957), wk = 0.0032787 k( 93) = ( -0.2659574 0.2659574 0.2659574), wk = 0.0032787 k( 94) = ( -0.2553191 0.2553191 0.2553191), wk = 0.0032787 k( 95) = ( -0.2446809 0.2446809 0.2446809), wk = 0.0032787 k( 96) = ( -0.2340425 0.2340426 0.2340425), wk = 0.0032787 k( 97) = ( -0.2234043 0.2234043 0.2234043), wk = 0.0032787 k( 98) = ( -0.2127660 0.2127660 0.2127660), wk = 0.0032787 k( 99) = ( -0.2021277 0.2021277 0.2021277), wk = 0.0032787 k( 100) = ( -0.1914894 0.1914894 0.1914894), wk = 0.0032787 k( 101) = ( -0.1808511 0.1808511 0.1808511), wk = 0.0032787 k( 102) = ( -0.1702128 0.1702128 0.1702128), wk = 0.0032787 k( 103) = ( -0.1595745 0.1595745 0.1595745), wk = 0.0032787 k( 104) = ( -0.1489362 0.1489362 0.1489362), wk = 0.0032787 k( 105) = ( -0.1382979 0.1382979 0.1382979), wk = 0.0032787 k( 106) = ( -0.1276596 0.1276596 0.1276596), wk = 0.0032787 k( 107) = ( -0.1170213 0.1170213 0.1170213), wk = 0.0032787 k( 108) = ( -0.1063830 0.1063830 0.1063830), wk = 0.0032787 k( 109) = ( -0.0957447 0.0957447 0.0957447), wk = 0.0032787 k( 110) = ( -0.0851064 0.0851064 0.0851064), wk = 0.0032787 k( 111) = ( -0.0744681 0.0744681 0.0744681), wk = 0.0032787 k( 112) = ( -0.0638298 0.0638298 0.0638298), wk = 0.0032787 k( 113) = ( -0.0531915 0.0531915 0.0531915), wk = 0.0032787 k( 114) = ( -0.0425532 0.0425532 0.0425532), wk = 0.0032787 k( 115) = ( -0.0319149 0.0319149 0.0319149), wk = 0.0032787 k( 116) = ( -0.0212766 0.0212766 0.0212766), wk = 0.0032787 k( 117) = ( -0.0106383 0.0106383 0.0106383), wk = 0.0032787 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032787 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032787 k( 120) = ( 0.0086300 0.0086300 -0.0086300), wk = 0.0032787 k( 121) = ( 0.0172599 0.0172599 -0.0172599), wk = 0.0032787 k( 122) = ( 0.0258898 0.0258898 -0.0258898), wk = 0.0032787 k( 123) = ( 0.0345198 0.0345198 -0.0345198), wk = 0.0032787 k( 124) = ( 0.0431498 0.0431498 -0.0431497), wk = 0.0032787 k( 125) = ( 0.0517797 0.0517797 -0.0517797), wk = 0.0032787 k( 126) = ( 0.0604097 0.0604096 -0.0604097), wk = 0.0032787 k( 127) = ( 0.0690396 0.0690396 -0.0690396), wk = 0.0032787 k( 128) = ( 0.0776696 0.0776696 -0.0776696), wk = 0.0032787 k( 129) = ( 0.0862995 0.0862995 -0.0862995), wk = 0.0032787 k( 130) = ( 0.0949294 0.0949294 -0.0949294), wk = 0.0032787 k( 131) = ( 0.1035594 0.1035594 -0.1035594), wk = 0.0032787 k( 132) = ( 0.1121893 0.1121894 -0.1121893), wk = 0.0032787 k( 133) = ( 0.1208193 0.1208193 -0.1208193), wk = 0.0032787 k( 134) = ( 0.1294492 0.1294493 -0.1294492), wk = 0.0032787 k( 135) = ( 0.1380792 0.1380792 -0.1380792), wk = 0.0032787 k( 136) = ( 0.1467092 0.1467092 -0.1467092), wk = 0.0032787 k( 137) = ( 0.1553391 0.1553391 -0.1553391), wk = 0.0032787 k( 138) = ( 0.1639691 0.1639690 -0.1639691), wk = 0.0032787 k( 139) = ( 0.1725990 0.1725990 -0.1725990), wk = 0.0032787 k( 140) = ( 0.1812289 0.1812289 -0.1812289), wk = 0.0032787 k( 141) = ( 0.1898589 0.1898589 -0.1898589), wk = 0.0032787 k( 142) = ( 0.1984888 0.1984888 -0.1984888), wk = 0.0032787 k( 143) = ( 0.2071188 0.2071188 -0.2071188), wk = 0.0032787 k( 144) = ( 0.2157487 0.2157487 -0.2157487), wk = 0.0032787 k( 145) = ( 0.2243787 0.2243787 -0.2243787), wk = 0.0032787 k( 146) = ( 0.2330087 0.2330086 -0.2330086), wk = 0.0032787 k( 147) = ( 0.2416386 0.2416386 -0.2416386), wk = 0.0032787 k( 148) = ( 0.2502685 0.2502685 -0.2502685), wk = 0.0032787 k( 149) = ( 0.2588985 0.2588985 -0.2588985), wk = 0.0032787 k( 150) = ( 0.2675284 0.2675284 -0.2675284), wk = 0.0032787 k( 151) = ( 0.2761584 0.2761584 -0.2761584), wk = 0.0032787 k( 152) = ( 0.2847883 0.2847883 -0.2847883), wk = 0.0032787 k( 153) = ( 0.2934183 0.2934183 -0.2934183), wk = 0.0032787 k( 154) = ( 0.3020482 0.3020482 -0.3020482), wk = 0.0032787 k( 155) = ( 0.3106782 0.3106782 -0.3106782), wk = 0.0032787 k( 156) = ( 0.3193081 0.3193081 -0.3193081), wk = 0.0032787 k( 157) = ( 0.3279381 0.3279381 -0.3279381), wk = 0.0032787 k( 158) = ( 0.3365680 0.3365680 -0.3365680), wk = 0.0032787 k( 159) = ( 0.3451980 0.3451980 -0.3451980), wk = 0.0032787 k( 160) = ( 0.3538279 0.3538279 -0.3538279), wk = 0.0032787 k( 161) = ( 0.3624579 0.3624579 -0.3624579), wk = 0.0032787 k( 162) = ( 0.3710878 0.3710878 -0.3710878), wk = 0.0032787 k( 163) = ( 0.3797178 0.3797178 -0.3797178), wk = 0.0032787 k( 164) = ( 0.3883477 0.3883477 -0.3883477), wk = 0.0032787 k( 165) = ( 0.3969777 0.3969777 -0.3969777), wk = 0.0032787 k( 166) = ( 0.4056076 0.4056076 -0.4056076), wk = 0.0032787 k( 167) = ( 0.4142376 0.4142376 -0.4142376), wk = 0.0032787 k( 168) = ( 0.4142376 0.4142376 -0.4142376), wk = 0.0032787 k( 169) = ( 0.4100264 0.4100264 -0.3972059), wk = 0.0032787 k( 170) = ( 0.4058152 0.4058152 -0.3801741), wk = 0.0032787 k( 171) = ( 0.4016039 0.4016039 -0.3631424), wk = 0.0032787 k( 172) = ( 0.3973927 0.3973927 -0.3461107), wk = 0.0032787 k( 173) = ( 0.3931815 0.3931815 -0.3290789), wk = 0.0032787 k( 174) = ( 0.3889703 0.3889703 -0.3120472), wk = 0.0032787 k( 175) = ( 0.3847590 0.3847590 -0.2950155), wk = 0.0032787 k( 176) = ( 0.3805478 0.3805478 -0.2779837), wk = 0.0032787 k( 177) = ( 0.3763366 0.3763366 -0.2609520), wk = 0.0032787 k( 178) = ( 0.3721254 0.3721254 -0.2439203), wk = 0.0032787 k( 179) = ( 0.3679142 0.3679142 -0.2268885), wk = 0.0032787 k( 180) = ( 0.3637030 0.3637030 -0.2098568), wk = 0.0032787 k( 181) = ( 0.3594917 0.3594917 -0.1928251), wk = 0.0032787 k( 182) = ( 0.3552805 0.3552805 -0.1757933), wk = 0.0032787 k( 183) = ( 0.3510693 0.3510693 -0.1587616), wk = 0.0032787 k( 184) = ( 0.3468581 0.3468581 -0.1417299), wk = 0.0032787 k( 185) = ( 0.3426469 0.3426469 -0.1246981), wk = 0.0032787 k( 186) = ( 0.3384356 0.3384356 -0.1076664), wk = 0.0032787 k( 187) = ( 0.3342244 0.3342244 -0.0906347), wk = 0.0032787 k( 188) = ( 0.3300132 0.3300132 -0.0736029), wk = 0.0032787 k( 189) = ( 0.3258020 0.3258020 -0.0565712), wk = 0.0032787 k( 190) = ( 0.3215907 0.3215907 -0.0395395), wk = 0.0032787 k( 191) = ( 0.3173795 0.3173795 -0.0225077), wk = 0.0032787 k( 192) = ( 0.3131683 0.3131683 -0.0054760), wk = 0.0032787 k( 193) = ( 0.3089571 0.3089571 0.0115557), wk = 0.0032787 k( 194) = ( 0.3047459 0.3047459 0.0285875), wk = 0.0032787 k( 195) = ( 0.3005346 0.3005346 0.0456192), wk = 0.0032787 k( 196) = ( 0.2963234 0.2963234 0.0626509), wk = 0.0032787 k( 197) = ( 0.2921122 0.2921122 0.0796827), wk = 0.0032787 k( 198) = ( 0.2879010 0.2879010 0.0967144), wk = 0.0032787 k( 199) = ( 0.2836898 0.2836898 0.1137461), wk = 0.0032787 k( 200) = ( 0.2794785 0.2794785 0.1307779), wk = 0.0032787 k( 201) = ( 0.2752673 0.2752673 0.1478096), wk = 0.0032787 k( 202) = ( 0.2710561 0.2710561 0.1648413), wk = 0.0032787 k( 203) = ( 0.2668449 0.2668449 0.1818731), wk = 0.0032787 k( 204) = ( 0.2626337 0.2626337 0.1989048), wk = 0.0032787 k( 205) = ( 0.2584224 0.2584224 0.2159365), wk = 0.0032787 k( 206) = ( 0.2542112 0.2542112 0.2329683), wk = 0.0032787 k( 207) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032787 k( 208) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032787 k( 209) = ( 0.2395833 0.2604167 0.2395833), wk = 0.0032787 k( 210) = ( 0.2291667 0.2708333 0.2291667), wk = 0.0032787 k( 211) = ( 0.2187500 0.2812500 0.2187500), wk = 0.0032787 k( 212) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0032787 k( 213) = ( 0.1979167 0.3020833 0.1979167), wk = 0.0032787 k( 214) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0032787 k( 215) = ( 0.1770833 0.3229167 0.1770833), wk = 0.0032787 k( 216) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0032787 k( 217) = ( 0.1562500 0.3437500 0.1562500), wk = 0.0032787 k( 218) = ( 0.1458333 0.3541667 0.1458333), wk = 0.0032787 k( 219) = ( 0.1354167 0.3645833 0.1354167), wk = 0.0032787 k( 220) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0032787 k( 221) = ( 0.1145833 0.3854167 0.1145833), wk = 0.0032787 k( 222) = ( 0.1041667 0.3958333 0.1041667), wk = 0.0032787 k( 223) = ( 0.0937500 0.4062500 0.0937500), wk = 0.0032787 k( 224) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0032787 k( 225) = ( 0.0729167 0.4270833 0.0729167), wk = 0.0032787 k( 226) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0032787 k( 227) = ( 0.0520833 0.4479167 0.0520833), wk = 0.0032787 k( 228) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0032787 k( 229) = ( 0.0312500 0.4687500 0.0312500), wk = 0.0032787 k( 230) = ( 0.0208333 0.4791667 0.0208333), wk = 0.0032787 k( 231) = ( 0.0104167 0.4895833 0.0104167), wk = 0.0032787 k( 232) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032787 k( 233) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032787 k( 234) = ( -0.0133625 0.5027665 0.0133625), wk = 0.0032787 k( 235) = ( -0.0267250 0.5055331 0.0267250), wk = 0.0032787 k( 236) = ( -0.0400875 0.5082996 0.0400875), wk = 0.0032787 k( 237) = ( -0.0534500 0.5110661 0.0534500), wk = 0.0032787 k( 238) = ( -0.0668125 0.5138327 0.0668125), wk = 0.0032787 k( 239) = ( -0.0801750 0.5165992 0.0801750), wk = 0.0032787 k( 240) = ( -0.0935375 0.5193657 0.0935375), wk = 0.0032787 k( 241) = ( -0.1069000 0.5221322 0.1069000), wk = 0.0032787 k( 242) = ( -0.1202625 0.5248988 0.1202625), wk = 0.0032787 k( 243) = ( -0.1336250 0.5276653 0.1336250), wk = 0.0032787 k( 244) = ( -0.1469875 0.5304318 0.1469875), wk = 0.0032787 k( 245) = ( -0.1603500 0.5331984 0.1603500), wk = 0.0032787 k( 246) = ( -0.1737125 0.5359649 0.1737125), wk = 0.0032787 k( 247) = ( -0.1870750 0.5387314 0.1870750), wk = 0.0032787 k( 248) = ( -0.2004375 0.5414979 0.2004375), wk = 0.0032787 k( 249) = ( -0.2138000 0.5442645 0.2138000), wk = 0.0032787 k( 250) = ( -0.2271625 0.5470310 0.2271625), wk = 0.0032787 k( 251) = ( -0.2405250 0.5497975 0.2405250), wk = 0.0032787 k( 252) = ( -0.2538876 0.5525641 0.2538876), wk = 0.0032787 k( 253) = ( -0.2672501 0.5553306 0.2672501), wk = 0.0032787 k( 254) = ( -0.2806126 0.5580971 0.2806126), wk = 0.0032787 k( 255) = ( -0.2939751 0.5608636 0.2939751), wk = 0.0032787 k( 256) = ( -0.3073376 0.5636302 0.3073376), wk = 0.0032787 k( 257) = ( -0.3207001 0.5663967 0.3207001), wk = 0.0032787 k( 258) = ( -0.3340626 0.5691632 0.3340626), wk = 0.0032787 k( 259) = ( -0.3474251 0.5719298 0.3474251), wk = 0.0032787 k( 260) = ( -0.3607876 0.5746963 0.3607876), wk = 0.0032787 k( 261) = ( -0.3741501 0.5774628 0.3741501), wk = 0.0032787 k( 262) = ( -0.3875126 0.5802293 0.3875126), wk = 0.0032787 k( 263) = ( -0.4008751 0.5829959 0.4008751), wk = 0.0032787 k( 264) = ( -0.4142376 0.5857624 0.4142376), wk = 0.0032787 k( 265) = ( -0.4142376 0.5857624 0.4142376), wk = 0.0032787 k( 266) = ( -0.4228138 0.5771862 0.4228138), wk = 0.0032787 k( 267) = ( -0.4313901 0.5686099 0.4313901), wk = 0.0032787 k( 268) = ( -0.4399663 0.5600337 0.4399663), wk = 0.0032787 k( 269) = ( -0.4485425 0.5514575 0.4485425), wk = 0.0032787 k( 270) = ( -0.4571188 0.5428812 0.4571188), wk = 0.0032787 k( 271) = ( -0.4656950 0.5343050 0.4656950), wk = 0.0032787 k( 272) = ( -0.4742713 0.5257287 0.4742713), wk = 0.0032787 k( 273) = ( -0.4828475 0.5171525 0.4828475), wk = 0.0032787 k( 274) = ( -0.4914238 0.5085762 0.4914238), wk = 0.0032787 k( 275) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0032787 k( 276) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032787 k( 277) = ( 0.0086207 0.0086207 0.4913793), wk = 0.0032787 k( 278) = ( 0.0172414 0.0172414 0.4827586), wk = 0.0032787 k( 279) = ( 0.0258621 0.0258621 0.4741379), wk = 0.0032787 k( 280) = ( 0.0344828 0.0344828 0.4655172), wk = 0.0032787 k( 281) = ( 0.0431035 0.0431035 0.4568966), wk = 0.0032787 k( 282) = ( 0.0517241 0.0517241 0.4482759), wk = 0.0032787 k( 283) = ( 0.0603448 0.0603448 0.4396552), wk = 0.0032787 k( 284) = ( 0.0689655 0.0689655 0.4310345), wk = 0.0032787 k( 285) = ( 0.0775862 0.0775862 0.4224138), wk = 0.0032787 k( 286) = ( 0.0862069 0.0862069 0.4137931), wk = 0.0032787 k( 287) = ( 0.0948276 0.0948276 0.4051724), wk = 0.0032787 k( 288) = ( 0.1034483 0.1034483 0.3965517), wk = 0.0032787 k( 289) = ( 0.1120690 0.1120690 0.3879310), wk = 0.0032787 k( 290) = ( 0.1206897 0.1206897 0.3793103), wk = 0.0032787 k( 291) = ( 0.1293103 0.1293103 0.3706897), wk = 0.0032787 k( 292) = ( 0.1379310 0.1379310 0.3620690), wk = 0.0032787 k( 293) = ( 0.1465517 0.1465517 0.3534483), wk = 0.0032787 k( 294) = ( 0.1551724 0.1551724 0.3448276), wk = 0.0032787 k( 295) = ( 0.1637931 0.1637931 0.3362069), wk = 0.0032787 k( 296) = ( 0.1724138 0.1724138 0.3275862), wk = 0.0032787 k( 297) = ( 0.1810345 0.1810345 0.3189655), wk = 0.0032787 k( 298) = ( 0.1896552 0.1896552 0.3103448), wk = 0.0032787 k( 299) = ( 0.1982759 0.1982759 0.3017241), wk = 0.0032787 k( 300) = ( 0.2068966 0.2068966 0.2931035), wk = 0.0032787 k( 301) = ( 0.2155172 0.2155172 0.2844828), wk = 0.0032787 k( 302) = ( 0.2241379 0.2241379 0.2758621), wk = 0.0032787 k( 303) = ( 0.2327586 0.2327586 0.2672414), wk = 0.0032787 k( 304) = ( 0.2413793 0.2413793 0.2586207), wk = 0.0032787 k( 305) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0032787 Dense grid: 51893 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 39455 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.23 Mb ( 296, 50) NL pseudopotentials 0.30 Mb ( 148, 132) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1443) G-vector shells 0.00 Mb ( 651) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.90 Mb ( 296, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.20 Mb ( 132, 2, 50) The potential is recalculated from file : ./Zr2Ga.save/charge-density.dat Starting wfc are 108 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 4.4 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 5.9 secs Computing kpt #: 4 total cpu time spent up to now is 7.4 secs Computing kpt #: 5 total cpu time spent up to now is 8.8 secs Computing kpt #: 6 total cpu time spent up to now is 10.3 secs Computing kpt #: 7 total cpu time spent up to now is 11.5 secs Computing kpt #: 8 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 13.1 secs Computing kpt #: 9 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 14.6 secs Computing kpt #: 10 total cpu time spent up to now is 16.0 secs Computing kpt #: 11 total cpu time spent up to now is 17.1 secs Computing kpt #: 12 total cpu time spent up to now is 18.0 secs Computing kpt #: 13 total cpu time spent up to now is 18.8 secs Computing kpt #: 14 total cpu time spent up to now is 19.7 secs Computing kpt #: 15 total cpu time spent up to now is 20.6 secs Computing kpt #: 16 total cpu time spent up to now is 21.4 secs Computing kpt #: 17 total cpu time spent up to now is 22.2 secs Computing kpt #: 18 total cpu time spent up to now is 23.0 secs Computing kpt #: 19 total cpu time spent up to now is 23.8 secs Computing kpt #: 20 total cpu time spent up to now is 24.5 secs Computing kpt #: 21 total cpu time spent up to now is 25.2 secs Computing kpt #: 22 total cpu time spent up to now is 26.0 secs Computing kpt #: 23 total cpu time spent up to now is 26.7 secs Computing kpt #: 24 total cpu time spent up to now is 27.4 secs Computing kpt #: 25 total cpu time spent up to now is 28.1 secs Computing kpt #: 26 total cpu time spent up to now is 28.7 secs Computing kpt #: 27 total cpu time spent up to now is 29.4 secs Computing kpt #: 28 total cpu time spent up to now is 30.0 secs Computing kpt #: 29 total cpu time spent up to now is 30.7 secs Computing kpt #: 30 total cpu time spent up to now is 31.3 secs Computing kpt #: 31 total cpu time spent up to now is 31.9 secs Computing kpt #: 32 total cpu time spent up to now is 32.6 secs Computing kpt #: 33 total cpu time spent up to now is 33.2 secs Computing kpt #: 34 total cpu time spent up to now is 33.8 secs Computing kpt #: 35 total cpu time spent up to now is 34.4 secs Computing kpt #: 36 total cpu time spent up to now is 35.1 secs Computing kpt #: 37 total cpu time spent up to now is 35.7 secs Computing kpt #: 38 total cpu time spent up to now is 36.3 secs Computing kpt #: 39 total cpu time spent up to now is 37.0 secs Computing kpt #: 40 total cpu time spent up to now is 37.6 secs Computing kpt #: 41 total cpu time spent up to now is 38.2 secs Computing kpt #: 42 total cpu time spent up to now is 38.9 secs Computing kpt #: 43 total cpu time spent up to now is 39.5 secs Computing kpt #: 44 total cpu time spent up to now is 40.2 secs Computing kpt #: 45 total cpu time spent up to now is 40.8 secs Computing kpt #: 46 total cpu time spent up to now is 41.5 secs Computing kpt #: 47 total cpu time spent up to now is 42.1 secs Computing kpt #: 48 total cpu time spent up to now is 42.7 secs Computing kpt #: 49 total cpu time spent up to now is 43.2 secs Computing kpt #: 50 total cpu time spent up to now is 43.8 secs Computing kpt #: 51 total cpu time spent up to now is 44.5 secs Computing kpt #: 52 total cpu time spent up to now is 45.1 secs Computing kpt #: 53 total cpu time spent up to now is 45.8 secs Computing kpt #: 54 total cpu time spent up to now is 46.5 secs Computing kpt #: 55 total cpu time spent up to now is 47.2 secs Computing kpt #: 56 total cpu time spent up to now is 47.8 secs Computing kpt #: 57 total cpu time spent up to now is 48.4 secs Computing kpt #: 58 total cpu time spent up to now is 49.1 secs Computing kpt #: 59 total cpu time spent up to now is 49.8 secs Computing kpt #: 60 total cpu time spent up to now is 50.4 secs Computing kpt #: 61 total cpu time spent up to now is 51.1 secs Computing kpt #: 62 total cpu time spent up to now is 51.9 secs Computing kpt #: 63 total cpu time spent up to now is 52.6 secs Computing kpt #: 64 total cpu time spent up to now is 53.4 secs Computing kpt #: 65 total cpu time spent up to now is 54.2 secs Computing kpt #: 66 total cpu time spent up to now is 54.9 secs Computing kpt #: 67 total cpu time spent up to now is 55.5 secs Computing kpt #: 68 total cpu time spent up to now is 56.3 secs Computing kpt #: 69 total cpu time spent up to now is 56.9 secs Computing kpt #: 70 total cpu time spent up to now is 57.6 secs Computing kpt #: 71 total cpu time spent up to now is 58.2 secs Computing kpt #: 72 total cpu time spent up to now is 58.9 secs Computing kpt #: 73 total cpu time spent up to now is 59.6 secs Computing kpt #: 74 total cpu time spent up to now is 60.3 secs Computing kpt #: 75 total cpu time spent up to now is 61.0 secs Computing kpt #: 76 total cpu time spent up to now is 61.7 secs Computing kpt #: 77 total cpu time spent up to now is 62.4 secs Computing kpt #: 78 total cpu time spent up to now is 63.2 secs Computing kpt #: 79 total cpu time spent up to now is 63.9 secs Computing kpt #: 80 total cpu time spent up to now is 64.6 secs Computing kpt #: 81 total cpu time spent up to now is 65.4 secs Computing kpt #: 82 total cpu time spent up to now is 66.1 secs Computing kpt #: 83 total cpu time spent up to now is 66.8 secs Computing kpt #: 84 total cpu time spent up to now is 67.6 secs Computing kpt #: 85 total cpu time spent up to now is 68.3 secs Computing kpt #: 86 total cpu time spent up to now is 69.0 secs Computing kpt #: 87 total cpu time spent up to now is 69.9 secs Computing kpt #: 88 total cpu time spent up to now is 70.7 secs Computing kpt #: 89 total cpu time spent up to now is 71.6 secs Computing kpt #: 90 total cpu time spent up to now is 72.9 secs Computing kpt #: 91 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 74.5 secs Computing kpt #: 92 total cpu time spent up to now is 75.4 secs Computing kpt #: 93 total cpu time spent up to now is 76.4 secs Computing kpt #: 94 total cpu time spent up to now is 77.3 secs Computing kpt #: 95 total cpu time spent up to now is 78.4 secs Computing kpt #: 96 total cpu time spent up to now is 79.4 secs Computing kpt #: 97 total cpu time spent up to now is 80.5 secs Computing kpt #: 98 total cpu time spent up to now is 81.8 secs Computing kpt #: 99 total cpu time spent up to now is 82.9 secs Computing kpt #: 100 total cpu time spent up to now is 83.9 secs Computing kpt #: 101 total cpu time spent up to now is 84.9 secs Computing kpt #: 102 total cpu time spent up to now is 85.8 secs Computing kpt #: 103 total cpu time spent up to now is 86.7 secs Computing kpt #: 104 total cpu time spent up to now is 87.6 secs Computing kpt #: 105 total cpu time spent up to now is 88.5 secs Computing kpt #: 106 total cpu time spent up to now is 89.2 secs Computing kpt #: 107 total cpu time spent up to now is 90.1 secs Computing kpt #: 108 total cpu time spent up to now is 91.1 secs Computing kpt #: 109 total cpu time spent up to now is 92.1 secs Computing kpt #: 110 total cpu time spent up to now is 93.2 secs Computing kpt #: 111 total cpu time spent up to now is 94.4 secs Computing kpt #: 112 total cpu time spent up to now is 95.7 secs Computing kpt #: 113 total cpu time spent up to now is 97.1 secs Computing kpt #: 114 total cpu time spent up to now is 98.4 secs Computing kpt #: 115 total cpu time spent up to now is 99.8 secs Computing kpt #: 116 total cpu time spent up to now is 101.3 secs Computing kpt #: 117 total cpu time spent up to now is 102.7 secs Computing kpt #: 118 total cpu time spent up to now is 104.1 secs Computing kpt #: 119 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 105.6 secs Computing kpt #: 120 total cpu time spent up to now is 107.1 secs Computing kpt #: 121 total cpu time spent up to now is 108.3 secs Computing kpt #: 122 total cpu time spent up to now is 109.4 secs Computing kpt #: 123 total cpu time spent up to now is 110.3 secs Computing kpt #: 124 total cpu time spent up to now is 111.1 secs Computing kpt #: 125 total cpu time spent up to now is 111.9 secs Computing kpt #: 126 total cpu time spent up to now is 112.5 secs Computing kpt #: 127 total cpu time spent up to now is 113.2 secs Computing kpt #: 128 total cpu time spent up to now is 113.8 secs Computing kpt #: 129 total cpu time spent up to now is 114.4 secs Computing kpt #: 130 total cpu time spent up to now is 115.0 secs Computing kpt #: 131 total cpu time spent up to now is 115.5 secs Computing kpt #: 132 total cpu time spent up to now is 116.0 secs Computing kpt #: 133 total cpu time spent up to now is 116.5 secs Computing kpt #: 134 total cpu time spent up to now is 117.0 secs Computing kpt #: 135 total cpu time spent up to now is 117.5 secs Computing kpt #: 136 total cpu time spent up to now is 118.0 secs Computing kpt #: 137 total cpu time spent up to now is 118.5 secs Computing kpt #: 138 total cpu time spent up to now is 119.0 secs Computing kpt #: 139 total cpu time spent up to now is 119.5 secs Computing kpt #: 140 total cpu time spent up to now is 120.0 secs Computing kpt #: 141 total cpu time spent up to now is 120.5 secs Computing kpt #: 142 total cpu time spent up to now is 121.0 secs Computing kpt #: 143 total cpu time spent up to now is 121.5 secs Computing kpt #: 144 total cpu time spent up to now is 122.2 secs Computing kpt #: 145 total cpu time spent up to now is 123.0 secs Computing kpt #: 146 total cpu time spent up to now is 124.2 secs Computing kpt #: 147 total cpu time spent up to now is 125.4 secs Computing kpt #: 148 total cpu time spent up to now is 126.0 secs Computing kpt #: 149 total cpu time spent up to now is 126.7 secs Computing kpt #: 150 total cpu time spent up to now is 127.4 secs Computing kpt #: 151 total cpu time spent up to now is 128.0 secs Computing kpt #: 152 total cpu time spent up to now is 128.8 secs Computing kpt #: 153 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 130.3 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 131.8 secs Computing kpt #: 155 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 133.4 secs Computing kpt #: 156 total cpu time spent up to now is 134.1 secs Computing kpt #: 157 total cpu time spent up to now is 134.8 secs Computing kpt #: 158 total cpu time spent up to now is 135.4 secs Computing kpt #: 159 total cpu time spent up to now is 136.3 secs Computing kpt #: 160 total cpu time spent up to now is 137.8 secs Computing kpt #: 161 total cpu time spent up to now is 139.1 secs Computing kpt #: 162 total cpu time spent up to now is 140.3 secs Computing kpt #: 163 total cpu time spent up to now is 141.2 secs Computing kpt #: 164 total cpu time spent up to now is 142.0 secs Computing kpt #: 165 total cpu time spent up to now is 142.7 secs Computing kpt #: 166 total cpu time spent up to now is 143.3 secs Computing kpt #: 167 total cpu time spent up to now is 144.0 secs Computing kpt #: 168 total cpu time spent up to now is 144.6 secs Computing kpt #: 169 total cpu time spent up to now is 145.2 secs Computing kpt #: 170 total cpu time spent up to now is 145.9 secs Computing kpt #: 171 total cpu time spent up to now is 146.6 secs Computing kpt #: 172 total cpu time spent up to now is 147.3 secs Computing kpt #: 173 total cpu time spent up to now is 148.0 secs Computing kpt #: 174 total cpu time spent up to now is 148.8 secs Computing kpt #: 175 total cpu time spent up to now is 149.5 secs Computing kpt #: 176 total cpu time spent up to now is 150.3 secs Computing kpt #: 177 total cpu time spent up to now is 151.0 secs Computing kpt #: 178 total cpu time spent up to now is 151.8 secs Computing kpt #: 179 total cpu time spent up to now is 152.5 secs Computing kpt #: 180 total cpu time spent up to now is 153.2 secs Computing kpt #: 181 total cpu time spent up to now is 153.8 secs Computing kpt #: 182 total cpu time spent up to now is 154.5 secs Computing kpt #: 183 total cpu time spent up to now is 155.2 secs Computing kpt #: 184 total cpu time spent up to now is 155.8 secs Computing kpt #: 185 total cpu time spent up to now is 156.4 secs Computing kpt #: 186 total cpu time spent up to now is 157.1 secs Computing kpt #: 187 total cpu time spent up to now is 157.7 secs Computing kpt #: 188 total cpu time spent up to now is 158.3 secs Computing kpt #: 189 total cpu time spent up to now is 159.0 secs Computing kpt #: 190 total cpu time spent up to now is 159.6 secs Computing kpt #: 191 total cpu time spent up to now is 160.2 secs Computing kpt #: 192 total cpu time spent up to now is 160.8 secs Computing kpt #: 193 total cpu time spent up to now is 161.5 secs Computing kpt #: 194 total cpu time spent up to now is 162.2 secs Computing kpt #: 195 total cpu time spent up to now is 162.9 secs Computing kpt #: 196 total cpu time spent up to now is 163.6 secs Computing kpt #: 197 total cpu time spent up to now is 164.2 secs Computing kpt #: 198 total cpu time spent up to now is 164.9 secs Computing kpt #: 199 total cpu time spent up to now is 165.5 secs Computing kpt #: 200 total cpu time spent up to now is 166.2 secs Computing kpt #: 201 total cpu time spent up to now is 166.8 secs Computing kpt #: 202 total cpu time spent up to now is 167.5 secs Computing kpt #: 203 total cpu time spent up to now is 168.2 secs Computing kpt #: 204 total cpu time spent up to now is 168.9 secs Computing kpt #: 205 total cpu time spent up to now is 169.7 secs Computing kpt #: 206 total cpu time spent up to now is 170.5 secs Computing kpt #: 207 total cpu time spent up to now is 171.1 secs Computing kpt #: 208 total cpu time spent up to now is 171.7 secs Computing kpt #: 209 total cpu time spent up to now is 172.6 secs Computing kpt #: 210 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 174.1 secs Computing kpt #: 211 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 175.6 secs Computing kpt #: 212 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 177.1 secs Computing kpt #: 213 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 178.6 secs Computing kpt #: 214 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 180.1 secs Computing kpt #: 215 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 181.6 secs Computing kpt #: 216 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 183.1 secs Computing kpt #: 217 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 184.6 secs Computing kpt #: 218 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 186.1 secs Computing kpt #: 219 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 187.6 secs Computing kpt #: 220 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 189.1 secs Computing kpt #: 221 total cpu time spent up to now is 190.4 secs Computing kpt #: 222 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 191.9 secs Computing kpt #: 223 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 193.5 secs Computing kpt #: 224 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 195.0 secs Computing kpt #: 225 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 196.5 secs Computing kpt #: 226 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 198.0 secs Computing kpt #: 227 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 199.6 secs Computing kpt #: 228 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 201.1 secs Computing kpt #: 229 total cpu time spent up to now is 202.3 secs Computing kpt #: 230 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 203.8 secs Computing kpt #: 231 total cpu time spent up to now is 204.4 secs Computing kpt #: 232 total cpu time spent up to now is 205.0 secs Computing kpt #: 233 total cpu time spent up to now is 205.6 secs Computing kpt #: 234 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 207.1 secs Computing kpt #: 235 total cpu time spent up to now is 208.3 secs Computing kpt #: 236 total cpu time spent up to now is 209.1 secs Computing kpt #: 237 total cpu time spent up to now is 210.0 secs Computing kpt #: 238 total cpu time spent up to now is 210.8 secs Computing kpt #: 239 total cpu time spent up to now is 211.8 secs Computing kpt #: 240 total cpu time spent up to now is 213.2 secs Computing kpt #: 241 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 214.7 secs Computing kpt #: 242 total cpu time spent up to now is 215.7 secs Computing kpt #: 243 total cpu time spent up to now is 216.5 secs Computing kpt #: 244 total cpu time spent up to now is 217.2 secs Computing kpt #: 245 total cpu time spent up to now is 217.8 secs Computing kpt #: 246 total cpu time spent up to now is 218.4 secs Computing kpt #: 247 total cpu time spent up to now is 220.6 secs Computing kpt #: 248 total cpu time spent up to now is 221.2 secs Computing kpt #: 249 total cpu time spent up to now is 221.9 secs Computing kpt #: 250 total cpu time spent up to now is 222.6 secs Computing kpt #: 251 total cpu time spent up to now is 223.2 secs Computing kpt #: 252 total cpu time spent up to now is 223.9 secs Computing kpt #: 253 total cpu time spent up to now is 224.6 secs Computing kpt #: 254 total cpu time spent up to now is 225.3 secs Computing kpt #: 255 total cpu time spent up to now is 226.0 secs Computing kpt #: 256 total cpu time spent up to now is 226.7 secs Computing kpt #: 257 total cpu time spent up to now is 227.4 secs Computing kpt #: 258 total cpu time spent up to now is 228.2 secs Computing kpt #: 259 total cpu time spent up to now is 228.9 secs Computing kpt #: 260 total cpu time spent up to now is 229.6 secs Computing kpt #: 261 total cpu time spent up to now is 230.3 secs Computing kpt #: 262 total cpu time spent up to now is 230.9 secs Computing kpt #: 263 total cpu time spent up to now is 231.6 secs Computing kpt #: 264 total cpu time spent up to now is 232.2 secs Computing kpt #: 265 total cpu time spent up to now is 232.8 secs Computing kpt #: 266 total cpu time spent up to now is 233.5 secs Computing kpt #: 267 total cpu time spent up to now is 234.1 secs Computing kpt #: 268 total cpu time spent up to now is 234.7 secs Computing kpt #: 269 total cpu time spent up to now is 235.3 secs Computing kpt #: 270 total cpu time spent up to now is 236.0 secs Computing kpt #: 271 total cpu time spent up to now is 236.6 secs Computing kpt #: 272 total cpu time spent up to now is 237.3 secs Computing kpt #: 273 total cpu time spent up to now is 238.0 secs Computing kpt #: 274 total cpu time spent up to now is 238.7 secs Computing kpt #: 275 total cpu time spent up to now is 239.4 secs Computing kpt #: 276 total cpu time spent up to now is 240.0 secs Computing kpt #: 277 total cpu time spent up to now is 240.6 secs Computing kpt #: 278 total cpu time spent up to now is 241.4 secs Computing kpt #: 279 total cpu time spent up to now is 242.3 secs Computing kpt #: 280 total cpu time spent up to now is 243.0 secs Computing kpt #: 281 total cpu time spent up to now is 243.6 secs Computing kpt #: 282 total cpu time spent up to now is 244.2 secs Computing kpt #: 283 total cpu time spent up to now is 244.8 secs Computing kpt #: 284 total cpu time spent up to now is 245.4 secs Computing kpt #: 285 total cpu time spent up to now is 245.9 secs Computing kpt #: 286 total cpu time spent up to now is 246.5 secs Computing kpt #: 287 total cpu time spent up to now is 247.0 secs Computing kpt #: 288 total cpu time spent up to now is 247.5 secs Computing kpt #: 289 total cpu time spent up to now is 248.0 secs Computing kpt #: 290 total cpu time spent up to now is 248.5 secs Computing kpt #: 291 total cpu time spent up to now is 248.9 secs Computing kpt #: 292 total cpu time spent up to now is 249.4 secs Computing kpt #: 293 total cpu time spent up to now is 249.9 secs Computing kpt #: 294 total cpu time spent up to now is 250.4 secs Computing kpt #: 295 total cpu time spent up to now is 250.9 secs Computing kpt #: 296 total cpu time spent up to now is 251.4 secs Computing kpt #: 297 total cpu time spent up to now is 251.9 secs Computing kpt #: 298 total cpu time spent up to now is 252.4 secs Computing kpt #: 299 total cpu time spent up to now is 252.9 secs Computing kpt #: 300 total cpu time spent up to now is 253.4 secs Computing kpt #: 301 total cpu time spent up to now is 254.0 secs Computing kpt #: 302 total cpu time spent up to now is 254.5 secs Computing kpt #: 303 total cpu time spent up to now is 255.1 secs Computing kpt #: 304 total cpu time spent up to now is 255.7 secs Computing kpt #: 305 total cpu time spent up to now is 256.3 secs ethr = 2.38E-08, avg # of iterations = 46.6 total cpu time spent up to now is 256.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4967 PWs) bands (ev): -5.3427 -5.3427 -5.2711 -5.2711 -5.2289 -5.2289 -5.1966 -5.1966 -4.8520 -4.8520 -4.8287 -4.8287 -4.7516 -4.7516 -4.7229 -4.7229 -4.6912 -4.6912 -4.6733 -4.6733 0.4603 0.4603 4.5407 4.5407 6.6152 6.6152 6.9978 6.9978 7.2317 7.2317 7.2489 7.2489 7.9534 7.9534 8.0555 8.0555 8.0800 8.0800 8.3279 8.3279 8.3456 8.3456 8.5904 8.5904 10.4713 10.4713 10.5325 10.5325 11.0580 11.0580 k = 0.0000 0.0000 0.0169 ( 4959 PWs) bands (ev): -5.3427 -5.3427 -5.2711 -5.2711 -5.2289 -5.2289 -5.1965 -5.1965 -4.8520 -4.8520 -4.8286 -4.8286 -4.7516 -4.7516 -4.7229 -4.7229 -4.6911 -4.6911 -4.6733 -4.6733 0.4616 0.4616 4.5415 4.5415 6.6058 6.6058 6.9904 6.9904 7.2403 7.2403 7.2563 7.2563 7.9532 7.9532 8.0535 8.0535 8.0779 8.0779 8.3279 8.3279 8.3457 8.3457 8.5915 8.5915 10.4720 10.4720 10.5334 10.5334 11.0561 11.0561 k = 0.0000 0.0000 0.0339 ( 4959 PWs) bands (ev): -5.3427 -5.3427 -5.2711 -5.2711 -5.2289 -5.2289 -5.1965 -5.1965 -4.8519 -4.8519 -4.8286 -4.8286 -4.7516 -4.7516 -4.7229 -4.7229 -4.6910 -4.6910 -4.6733 -4.6733 0.4655 0.4655 4.5437 4.5437 6.5792 6.5792 6.9708 6.9708 7.2636 7.2636 7.2772 7.2772 7.9526 7.9526 8.0462 8.0462 8.0733 8.0733 8.3273 8.3273 8.3465 8.3465 8.5945 8.5945 10.4741 10.4741 10.5361 10.5361 11.0508 11.0508 k = 0.0000 0.0000 0.0508 ( 4957 PWs) bands (ev): -5.3426 -5.3426 -5.2711 -5.2711 -5.2289 -5.2289 -5.1965 -5.1965 -4.8520 -4.8520 -4.8286 -4.8286 -4.7516 -4.7516 -4.7230 -4.7230 -4.6910 -4.6910 -4.6733 -4.6733 0.4720 0.4720 4.5474 4.5474 6.5387 6.5387 6.9431 6.9431 7.2948 7.2948 7.3100 7.3100 7.9511 7.9511 8.0325 8.0325 8.0693 8.0693 8.3249 8.3249 8.3492 8.3492 8.5986 8.5986 10.4771 10.4771 10.5408 10.5408 11.0424 11.0424 k = 0.0000 0.0000 0.0678 ( 4949 PWs) bands (ev): -5.3426 -5.3426 -5.2711 -5.2711 -5.2289 -5.2289 -5.1965 -5.1965 -4.8520 -4.8520 -4.8285 -4.8285 -4.7516 -4.7516 -4.7230 -4.7230 -4.6910 -4.6910 -4.6732 -4.6732 0.4811 0.4811 4.5526 4.5526 6.4880 6.4880 6.9110 6.9110 7.3291 7.3291 7.3514 7.3514 7.9480 7.9480 8.0152 8.0152 8.0664 8.0664 8.3198 8.3198 8.3546 8.3546 8.6024 8.6024 10.4809 10.4809 10.5480 10.5480 11.0317 11.0317 k = 0.0000 0.0000 0.0847 ( 4953 PWs) bands (ev): -5.3426 -5.3426 -5.2710 -5.2710 -5.2289 -5.2289 -5.1966 -5.1966 -4.8520 -4.8520 -4.8285 -4.8285 -4.7517 -4.7517 -4.7231 -4.7231 -4.6910 -4.6910 -4.6732 -4.6732 0.4926 0.4926 4.5591 4.5591 6.4300 6.4300 6.8765 6.8765 7.3653 7.3653 7.3961 7.3961 7.9420 7.9420 7.9991 7.9991 8.0638 8.0638 8.3124 8.3124 8.3623 8.3623 8.6049 8.6049 10.4847 10.4847 10.5579 10.5579 11.0194 11.0194 k = 0.0000 0.0000 0.1017 ( 4952 PWs) bands (ev): -5.3425 -5.3425 -5.2710 -5.2710 -5.2290 -5.2290 -5.1966 -5.1966 -4.8520 -4.8520 -4.8283 -4.8283 -4.7518 -4.7518 -4.7233 -4.7233 -4.6908 -4.6908 -4.6732 -4.6732 0.5066 0.5066 4.5671 4.5671 6.3669 6.3669 6.8409 6.8409 7.4026 7.4026 7.4389 7.4389 7.9331 7.9331 7.9887 7.9887 8.0613 8.0613 8.3029 8.3029 8.3719 8.3719 8.6049 8.6049 10.4884 10.4884 10.5706 10.5706 11.0063 11.0063 k = 0.0000 0.0000 0.1186 ( 4952 PWs) bands (ev): -5.3424 -5.3424 -5.2709 -5.2709 -5.2291 -5.2291 -5.1967 -5.1967 -4.8520 -4.8520 -4.8283 -4.8283 -4.7519 -4.7519 -4.7234 -4.7234 -4.6908 -4.6908 -4.6731 -4.6731 0.5231 0.5231 4.5765 4.5765 6.2999 6.2999 6.8048 6.8048 7.4405 7.4405 7.4748 7.4748 7.9259 7.9259 7.9842 7.9842 8.0586 8.0586 8.2913 8.2913 8.3833 8.3833 8.6019 8.6019 10.4917 10.4917 10.5862 10.5862 10.9928 10.9928 k = 0.0000 0.0000 0.1356 ( 4960 PWs) bands (ev): -5.3423 -5.3423 -5.2709 -5.2709 -5.2291 -5.2291 -5.1969 -5.1969 -4.8520 -4.8520 -4.8282 -4.8282 -4.7521 -4.7521 -4.7236 -4.7236 -4.6908 -4.6908 -4.6730 -4.6730 0.5419 0.5419 4.5871 4.5871 6.2301 6.2301 6.7687 6.7687 7.4780 7.4780 7.4991 7.4991 7.9276 7.9276 7.9835 7.9835 8.0557 8.0557 8.2780 8.2780 8.3961 8.3961 8.5952 8.5952 10.4944 10.4944 10.6044 10.6044 10.9780 10.9781 k = 0.0000 0.0000 0.1525 ( 4948 PWs) bands (ev): -5.3423 -5.3423 -5.2707 -5.2707 -5.2291 -5.2291 -5.1970 -5.1970 -4.8519 -4.8519 -4.8281 -4.8281 -4.7523 -4.7523 -4.7236 -4.7236 -4.6907 -4.6907 -4.6729 -4.6729 0.5629 0.5629 4.5990 4.5990 6.1581 6.1581 6.7329 6.7329 7.5037 7.5037 7.5197 7.5197 7.9427 7.9427 7.9858 7.9858 8.0526 8.0526 8.2630 8.2630 8.4102 8.4102 8.5847 8.5847 10.4968 10.4968 10.6248 10.6248 10.9585 10.9585 k = 0.0000 0.0000 0.1695 ( 4950 PWs) bands (ev): -5.3422 -5.3422 -5.2707 -5.2707 -5.2291 -5.2291 -5.1971 -5.1971 -4.8519 -4.8519 -4.8280 -4.8280 -4.7524 -4.7524 -4.7238 -4.7238 -4.6907 -4.6907 -4.6728 -4.6728 0.5861 0.5861 4.6121 4.6121 6.0843 6.0843 6.6976 6.6976 7.4987 7.4987 7.5555 7.5555 7.9676 7.9676 7.9942 7.9942 8.0493 8.0493 8.2463 8.2463 8.4253 8.4253 8.5705 8.5705 10.4987 10.4987 10.6469 10.6469 10.9332 10.9332 k = 0.0000 0.0000 0.1864 ( 4946 PWs) bands (ev): -5.3421 -5.3421 -5.2705 -5.2705 -5.2291 -5.2291 -5.1972 -5.1972 -4.8519 -4.8519 -4.8279 -4.8279 -4.7526 -4.7526 -4.7239 -4.7239 -4.6907 -4.6907 -4.6726 -4.6726 0.6114 0.6114 4.6263 4.6263 6.0089 6.0089 6.6631 6.6631 7.4810 7.4810 7.5920 7.5920 7.9823 7.9823 8.0253 8.0253 8.0459 8.0459 8.2280 8.2280 8.4412 8.4412 8.5532 8.5532 10.5002 10.5002 10.6700 10.6700 10.9055 10.9055 k = 0.0000 0.0000 0.2034 ( 4942 PWs) bands (ev): -5.3420 -5.3420 -5.2704 -5.2704 -5.2291 -5.2291 -5.1973 -5.1973 -4.8518 -4.8518 -4.8279 -4.8279 -4.7528 -4.7528 -4.7240 -4.7240 -4.6906 -4.6906 -4.6724 -4.6724 0.6386 0.6386 4.6415 4.6415 5.9324 5.9324 6.6293 6.6293 7.4562 7.4562 7.6279 7.6279 7.9881 7.9881 8.0425 8.0425 8.0726 8.0726 8.2084 8.2084 8.4572 8.4572 8.5339 8.5339 10.5014 10.5014 10.6931 10.6931 10.8773 10.8773 k = 0.0000 0.0000 0.2203 ( 4942 PWs) bands (ev): -5.3420 -5.3420 -5.2703 -5.2703 -5.2291 -5.2291 -5.1975 -5.1975 -4.8518 -4.8518 -4.8278 -4.8278 -4.7531 -4.7531 -4.7241 -4.7241 -4.6906 -4.6906 -4.6723 -4.6723 0.6676 0.6676 4.6576 4.6576 5.8549 5.8549 6.5964 6.5964 7.4279 7.4279 7.6627 7.6627 7.9924 7.9924 8.0395 8.0395 8.1240 8.1240 8.1878 8.1878 8.4712 8.4712 8.5159 8.5159 10.5022 10.5022 10.7143 10.7143 10.8499 10.8499 k = 0.0000 0.0000 0.2373 ( 4942 PWs) bands (ev): -5.3419 -5.3419 -5.2702 -5.2702 -5.2291 -5.2291 -5.1976 -5.1976 -4.8518 -4.8518 -4.8277 -4.8277 -4.7533 -4.7533 -4.7243 -4.7243 -4.6906 -4.6906 -4.6722 -4.6722 0.6982 0.6982 4.6746 4.6746 5.7766 5.7766 6.5645 6.5645 7.3987 7.3987 7.6964 7.6964 7.9961 7.9961 8.0371 8.0371 8.1612 8.1612 8.1787 8.1787 8.4743 8.4743 8.5106 8.5106 10.5026 10.5026 10.7295 10.7295 10.8252 10.8252 k = 0.0000 0.0000 0.2542 ( 4926 PWs) bands (ev): -5.3418 -5.3418 -5.2701 -5.2701 -5.2291 -5.2291 -5.1977 -5.1977 -4.8517 -4.8517 -4.8276 -4.8276 -4.7534 -4.7534 -4.7244 -4.7244 -4.6905 -4.6905 -4.6720 -4.6720 0.7303 0.7303 4.6923 4.6923 5.6980 5.6980 6.5337 6.5337 7.3702 7.3702 7.7289 7.7289 7.9987 7.9987 8.0361 8.0361 8.1408 8.1408 8.2180 8.2180 8.4667 8.4667 8.5228 8.5228 10.5026 10.5026 10.7313 10.7313 10.8031 10.8031 k = 0.0000 0.0000 0.2712 ( 4922 PWs) bands (ev): -5.3417 -5.3417 -5.2700 -5.2700 -5.2291 -5.2291 -5.1979 -5.1979 -4.8517 -4.8517 -4.8275 -4.8275 -4.7536 -4.7536 -4.7246 -4.7246 -4.6905 -4.6905 -4.6717 -4.6717 0.7637 0.7637 4.7106 4.7106 5.6191 5.6191 6.5040 6.5040 7.3437 7.3437 7.7599 7.7599 7.9997 7.9997 8.0371 8.0371 8.1169 8.1169 8.2422 8.2422 8.4694 8.4694 8.5403 8.5403 10.5023 10.5023 10.7167 10.7167 10.7783 10.7783 k = 0.0000 0.0000 0.2881 ( 4924 PWs) bands (ev): -5.3416 -5.3416 -5.2699 -5.2699 -5.2291 -5.2291 -5.1981 -5.1981 -4.8516 -4.8516 -4.8274 -4.8274 -4.7539 -4.7539 -4.7247 -4.7247 -4.6905 -4.6905 -4.6716 -4.6716 0.7981 0.7981 4.7294 4.7294 5.5405 5.5405 6.4756 6.4756 7.3199 7.3199 7.7894 7.7894 7.9987 7.9987 8.0403 8.0403 8.0922 8.0922 8.2417 8.2417 8.4926 8.4926 8.5590 8.5590 10.5016 10.5016 10.6926 10.6926 10.7500 10.7500 k = 0.0000 0.0000 0.3051 ( 4920 PWs) bands (ev): -5.3415 -5.3415 -5.2698 -5.2698 -5.2291 -5.2291 -5.1982 -5.1982 -4.8516 -4.8516 -4.8273 -4.8273 -4.7541 -4.7541 -4.7249 -4.7249 -4.6904 -4.6904 -4.6714 -4.6714 0.8333 0.8333 4.7484 4.7484 5.4625 5.4625 6.4484 6.4484 7.2992 7.2992 7.8173 7.8173 7.9962 7.9962 8.0449 8.0449 8.0674 8.0674 8.2206 8.2206 8.5327 8.5327 8.5782 8.5782 10.5005 10.5005 10.6643 10.6643 10.7207 10.7207 k = 0.0000 0.0000 0.3220 ( 4928 PWs) bands (ev): -5.3415 -5.3415 -5.2697 -5.2697 -5.2291 -5.2291 -5.1984 -5.1984 -4.8516 -4.8516 -4.8272 -4.8272 -4.7543 -4.7543 -4.7251 -4.7251 -4.6904 -4.6904 -4.6713 -4.6713 0.8691 0.8691 4.7677 4.7677 5.3854 5.3854 6.4225 6.4225 7.2822 7.2822 7.8434 7.8434 7.9930 7.9930 8.0387 8.0387 8.0544 8.0544 8.1872 8.1872 8.5812 8.5812 8.5976 8.5976 10.4990 10.4990 10.6342 10.6342 10.6923 10.6923 k = 0.0000 0.0000 0.3390 ( 4930 PWs) bands (ev): -5.3414 -5.3414 -5.2696 -5.2696 -5.2292 -5.2292 -5.1986 -5.1986 -4.8515 -4.8515 -4.8272 -4.8272 -4.7546 -4.7546 -4.7253 -4.7253 -4.6904 -4.6904 -4.6712 -4.6712 0.9052 0.9052 4.7869 4.7869 5.3098 5.3098 6.3981 6.3981 7.2689 7.2689 7.8677 7.8677 7.9893 7.9893 8.0141 8.0141 8.0606 8.0606 8.1469 8.1469 8.6160 8.6160 8.6336 8.6336 10.4971 10.4971 10.6030 10.6030 10.6656 10.6656 k = 0.0000 0.0000 0.3559 ( 4926 PWs) bands (ev): -5.3413 -5.3413 -5.2695 -5.2695 -5.2291 -5.2291 -5.1988 -5.1988 -4.8515 -4.8515 -4.8270 -4.8270 -4.7548 -4.7548 -4.7255 -4.7255 -4.6904 -4.6904 -4.6710 -4.6710 0.9412 0.9412 4.8060 4.8060 5.2360 5.2360 6.3750 6.3750 7.2596 7.2596 7.8897 7.8897 7.9846 7.9846 7.9899 7.9899 8.0683 8.0683 8.1027 8.1027 8.6349 8.6349 8.6855 8.6855 10.4947 10.4947 10.5715 10.5715 10.6410 10.6410 k = 0.0000 0.0000 0.3729 ( 4918 PWs) bands (ev): -5.3412 -5.3412 -5.2694 -5.2694 -5.2291 -5.2291 -5.1989 -5.1989 -4.8514 -4.8514 -4.8270 -4.8270 -4.7550 -4.7550 -4.7256 -4.7256 -4.6903 -4.6903 -4.6708 -4.6708 0.9769 0.9769 4.8248 4.8248 5.1646 5.1646 6.3535 6.3535 7.2543 7.2543 7.9091 7.9091 7.9628 7.9628 7.9838 7.9838 8.0561 8.0561 8.0767 8.0767 8.6530 8.6530 8.7363 8.7363 10.4917 10.4917 10.5402 10.5402 10.6190 10.6190 k = 0.0000 0.0000 0.3898 ( 4916 PWs) bands (ev): -5.3411 -5.3411 -5.2693 -5.2693 -5.2291 -5.2291 -5.1991 -5.1991 -4.8513 -4.8513 -4.8269 -4.8269 -4.7552 -4.7552 -4.7257 -4.7257 -4.6903 -4.6903 -4.6707 -4.6707 1.0119 1.0119 4.8430 4.8430 5.0962 5.0962 6.3335 6.3335 7.2530 7.2530 7.9248 7.9248 7.9385 7.9385 7.9806 7.9806 8.0105 8.0105 8.0848 8.0848 8.6704 8.6704 8.7849 8.7849 10.4879 10.4879 10.5098 10.5098 10.5997 10.5997 k = 0.0000 0.0000 0.4068 ( 4920 PWs) bands (ev): -5.3411 -5.3411 -5.2692 -5.2692 -5.2291 -5.2291 -5.1992 -5.1992 -4.8513 -4.8513 -4.8269 -4.8269 -4.7554 -4.7554 -4.7259 -4.7259 -4.6904 -4.6904 -4.6705 -4.6705 1.0458 1.0458 4.8605 4.8605 5.0312 5.0312 6.3150 6.3150 7.2557 7.2557 7.9141 7.9141 7.9364 7.9364 7.9536 7.9536 7.9913 7.9913 8.0930 8.0930 8.6869 8.6869 8.8307 8.8307 10.4774 10.4774 10.4863 10.4863 10.5831 10.5831 k = 0.0000 0.0000 0.4237 ( 4932 PWs) bands (ev): -5.3410 -5.3410 -5.2692 -5.2692 -5.2291 -5.2291 -5.1995 -5.1995 -4.8513 -4.8513 -4.8269 -4.8269 -4.7556 -4.7556 -4.7260 -4.7260 -4.6904 -4.6904 -4.6704 -4.6704 1.0782 1.0782 4.8770 4.8770 4.9701 4.9701 6.2982 6.2982 7.2622 7.2622 7.8911 7.8911 7.9063 7.9063 7.9422 7.9422 7.9963 7.9963 8.1009 8.1009 8.7024 8.7024 8.8730 8.8730 10.4508 10.4508 10.4798 10.4798 10.5693 10.5693 k = 0.0000 0.0000 0.4407 ( 4932 PWs) bands (ev): -5.3410 -5.3410 -5.2691 -5.2691 -5.2290 -5.2290 -5.1996 -5.1996 -4.8512 -4.8512 -4.8269 -4.8269 -4.7558 -4.7558 -4.7261 -4.7261 -4.6904 -4.6904 -4.6703 -4.6703 1.1087 1.1087 4.8923 4.8923 4.9138 4.9138 6.2830 6.2830 7.2726 7.2726 7.8550 7.8550 7.8721 7.8721 7.9438 7.9438 8.0054 8.0054 8.1084 8.1084 8.7168 8.7168 8.9117 8.9117 10.4247 10.4247 10.4739 10.4739 10.5583 10.5583 k = 0.0000 0.0000 0.4576 ( 4924 PWs) bands (ev): -5.3409 -5.3409 -5.2690 -5.2690 -5.2290 -5.2290 -5.1997 -5.1997 -4.8511 -4.8511 -4.8268 -4.8268 -4.7560 -4.7560 -4.7262 -4.7262 -4.6904 -4.6904 -4.6702 -4.6702 1.1369 1.1369 4.8619 4.8619 4.9069 4.9069 6.2695 6.2695 7.2867 7.2867 7.8065 7.8065 7.8523 7.8523 7.9434 7.9434 8.0155 8.0155 8.1154 8.1154 8.7298 8.7298 8.9464 8.9464 10.4008 10.4008 10.4676 10.4676 10.5499 10.5499 k = 0.0000 0.0000 0.4746 ( 4920 PWs) bands (ev): -5.3409 -5.3409 -5.2690 -5.2690 -5.2289 -5.2289 -5.1998 -5.1998 -4.8511 -4.8511 -4.8267 -4.8267 -4.7561 -4.7561 -4.7263 -4.7263 -4.6904 -4.6904 -4.6701 -4.6701 1.1624 1.1624 4.8162 4.8162 4.9195 4.9195 6.2578 6.2578 7.3042 7.3042 7.7583 7.7583 7.8349 7.8349 7.9420 7.9420 8.0253 8.0253 8.1218 8.1218 8.7415 8.7415 8.9769 8.9769 10.3793 10.3793 10.4612 10.4612 10.5436 10.5436 k = 0.0000 0.0000 0.4915 ( 4932 PWs) bands (ev): -5.3409 -5.3409 -5.2690 -5.2690 -5.2290 -5.2290 -5.2000 -5.2000 -4.8511 -4.8511 -4.8267 -4.8267 -4.7563 -4.7563 -4.7264 -4.7264 -4.6904 -4.6904 -4.6700 -4.6700 1.1847 1.1847 4.7764 4.7764 4.9306 4.9306 6.2478 6.2478 7.3250 7.3250 7.7112 7.7112 7.8198 7.8198 7.9405 7.9405 8.0341 8.0341 8.1274 8.1274 8.7515 8.7515 9.0029 9.0029 10.3607 10.3607 10.4552 10.4552 10.5391 10.5391 k = 0.0000 0.0000 0.5085 ( 4936 PWs) bands (ev): -5.3408 -5.3408 -5.2690 -5.2690 -5.2289 -5.2289 -5.2001 -5.2001 -4.8510 -4.8510 -4.8267 -4.8267 -4.7564 -4.7564 -4.7264 -4.7264 -4.6905 -4.6905 -4.6700 -4.6700 1.2036 1.2036 4.7431 4.7431 4.9399 4.9399 6.2396 6.2396 7.3487 7.3487 7.6658 7.6658 7.8071 7.8071 7.9389 7.9389 8.0414 8.0414 8.1321 8.1321 8.7599 8.7599 9.0244 9.0244 10.3451 10.3451 10.4497 10.4497 10.5359 10.5359 k = 0.0000 0.0000 0.5254 ( 4938 PWs) bands (ev): -5.3408 -5.3408 -5.2689 -5.2689 -5.2289 -5.2289 -5.2002 -5.2002 -4.8510 -4.8510 -4.8267 -4.8267 -4.7565 -4.7565 -4.7264 -4.7264 -4.6905 -4.6905 -4.6700 -4.6700 1.2187 1.2187 4.7168 4.7168 4.9472 4.9472 6.2332 6.2332 7.3746 7.3746 7.6229 7.6229 7.7971 7.7971 7.9376 7.9376 8.0473 8.0473 8.1359 8.1359 8.7666 8.7666 9.0412 9.0412 10.3327 10.3327 10.4453 10.4453 10.5337 10.5337 k = 0.0000 0.0000 0.5424 ( 4944 PWs) bands (ev): -5.3408 -5.3408 -5.2689 -5.2689 -5.2289 -5.2289 -5.2002 -5.2002 -4.8510 -4.8510 -4.8267 -4.8267 -4.7566 -4.7566 -4.7265 -4.7265 -4.6905 -4.6905 -4.6700 -4.6700 1.2297 1.2297 4.6978 4.6978 4.9526 4.9526 6.2286 6.2286 7.4016 7.4016 7.5837 7.5837 7.7898 7.7898 7.9367 7.9367 8.0516 8.0516 8.1386 8.1386 8.7714 8.7714 9.0532 9.0532 10.3238 10.3238 10.4419 10.4419 10.5323 10.5323 k = 0.0000 0.0000 0.5593 ( 4936 PWs) bands (ev): -5.3408 -5.3408 -5.2689 -5.2689 -5.2289 -5.2289 -5.2002 -5.2002 -4.8510 -4.8510 -4.8267 -4.8267 -4.7565 -4.7565 -4.7265 -4.7265 -4.6905 -4.6905 -4.6699 -4.6699 1.2364 1.2364 4.6863 4.6863 4.9558 4.9558 6.2258 6.2258 7.4261 7.4261 7.5519 7.5519 7.7854 7.7854 7.9361 7.9361 8.0541 8.0541 8.1403 8.1403 8.7743 8.7743 9.0605 9.0605 10.3183 10.3183 10.4399 10.4399 10.5315 10.5315 k = 0.0000 0.0000 0.5763 ( 4936 PWs) bands (ev): -5.3408 -5.3408 -5.2689 -5.2689 -5.2289 -5.2289 -5.2002 -5.2002 -4.8510 -4.8510 -4.8267 -4.8267 -4.7566 -4.7566 -4.7265 -4.7265 -4.6905 -4.6905 -4.6699 -4.6699 1.2386 1.2386 4.6824 4.6824 4.9569 4.9569 6.2249 6.2249 7.4378 7.4378 7.5377 7.5377 7.7839 7.7839 7.9359 7.9359 8.0550 8.0550 8.1408 8.1408 8.7753 8.7753 9.0629 9.0629 10.3165 10.3165 10.4392 10.4392 10.5313 10.5313 k = 0.0000 0.0000 0.5763 ( 4936 PWs) bands (ev): -5.3408 -5.3408 -5.2689 -5.2689 -5.2289 -5.2289 -5.2002 -5.2002 -4.8510 -4.8510 -4.8267 -4.8267 -4.7566 -4.7566 -4.7265 -4.7265 -4.6905 -4.6905 -4.6699 -4.6699 1.2386 1.2386 4.6824 4.6824 4.9569 4.9569 6.2249 6.2249 7.4378 7.4378 7.5377 7.5377 7.7839 7.7839 7.9359 7.9359 8.0550 8.0550 8.1408 8.1408 8.7753 8.7753 9.0629 9.0629 10.3165 10.3165 10.4392 10.4392 10.5313 10.5313 k =-0.0147 0.0084 0.5763 ( 4936 PWs) bands (ev): -5.3407 -5.3407 -5.2689 -5.2689 -5.2289 -5.2289 -5.2002 -5.2002 -4.8510 -4.8510 -4.8267 -4.8267 -4.7566 -4.7566 -4.7265 -4.7265 -4.6904 -4.6904 -4.6699 -4.6699 1.2396 1.2396 4.6838 4.6838 4.9579 4.9579 6.2216 6.2216 7.4296 7.4296 7.5403 7.5403 7.7842 7.7842 7.9355 7.9355 8.0618 8.0618 8.1415 8.1415 8.7739 8.7739 9.0638 9.0638 10.3171 10.3171 10.4373 10.4373 10.5311 10.5311 k =-0.0294 0.0169 0.5763 ( 4940 PWs) bands (ev): -5.3407 -5.3407 -5.2689 -5.2689 -5.2289 -5.2289 -5.2002 -5.2002 -4.8510 -4.8510 -4.8267 -4.8267 -4.7566 -4.7566 -4.7266 -4.7266 -4.6904 -4.6904 -4.6699 -4.6699 1.2425 1.2425 4.6878 4.6878 4.9607 4.9607 6.2118 6.2118 7.4059 7.4059 7.5480 7.5480 7.7848 7.7848 7.9346 7.9346 8.0811 8.0811 8.1434 8.1434 8.7697 8.7697 9.0665 9.0665 10.3187 10.3187 10.4316 10.4316 10.5307 10.5307 k =-0.0441 0.0253 0.5763 ( 4932 PWs) bands (ev): -5.3407 -5.3407 -5.2688 -5.2688 -5.2289 -5.2289 -5.2003 -5.2003 -4.8510 -4.8510 -4.8266 -4.8266 -4.7566 -4.7566 -4.7266 -4.7266 -4.6904 -4.6904 -4.6699 -4.6699 1.2475 1.2475 4.6945 4.6945 4.9655 4.9655 6.1957 6.1957 7.3693 7.3693 7.5604 7.5604 7.7858 7.7858 7.9333 7.9333 8.1108 8.1108 8.1466 8.1466 8.7627 8.7627 9.0706 9.0706 10.3213 10.3213 10.4213 10.4213 10.5309 10.5309 k =-0.0588 0.0337 0.5763 ( 4936 PWs) bands (ev): -5.3406 -5.3406 -5.2688 -5.2688 -5.2290 -5.2290 -5.2003 -5.2003 -4.8510 -4.8510 -4.8266 -4.8266 -4.7567 -4.7567 -4.7267 -4.7267 -4.6904 -4.6904 -4.6698 -4.6698 1.2543 1.2543 4.7039 4.7039 4.9722 4.9722 6.1739 6.1739 7.3224 7.3224 7.5770 7.5770 7.7872 7.7872 7.9319 7.9319 8.1479 8.1479 8.1514 8.1514 8.7530 8.7530 9.0757 9.0757 10.3245 10.3245 10.4063 10.4063 10.5323 10.5323 k =-0.0735 0.0421 0.5763 ( 4932 PWs) bands (ev): -5.3406 -5.3406 -5.2687 -5.2687 -5.2290 -5.2290 -5.2004 -5.2004 -4.8510 -4.8510 -4.8265 -4.8265 -4.7568 -4.7568 -4.7267 -4.7267 -4.6904 -4.6904 -4.6697 -4.6697 1.2630 1.2630 4.7159 4.7159 4.9808 4.9808 6.1467 6.1467 7.2676 7.2676 7.5973 7.5973 7.7890 7.7890 7.9309 7.9309 8.1567 8.1567 8.1912 8.1912 8.7406 8.7406 9.0814 9.0814 10.3278 10.3278 10.3869 10.3869 10.5352 10.5352 k =-0.0882 0.0506 0.5763 ( 4926 PWs) bands (ev): -5.3406 -5.3406 -5.2685 -5.2685 -5.2290 -5.2290 -5.2005 -5.2005 -4.8509 -4.8509 -4.8265 -4.8265 -4.7569 -4.7569 -4.7267 -4.7267 -4.6904 -4.6904 -4.6696 -4.6696 1.2737 1.2737 4.7305 4.7305 4.9912 4.9912 6.1150 6.1150 7.2069 7.2069 7.6205 7.6205 7.7913 7.7913 7.9308 7.9308 8.1635 8.1635 8.2379 8.2379 8.7258 8.7258 9.0868 9.0868 10.3276 10.3276 10.3665 10.3665 10.5396 10.5396 k =-0.1029 0.0590 0.5763 ( 4922 PWs) bands (ev): -5.3405 -5.3405 -5.2684 -5.2684 -5.2290 -5.2290 -5.2006 -5.2006 -4.8508 -4.8508 -4.8265 -4.8265 -4.7570 -4.7570 -4.7267 -4.7267 -4.6904 -4.6904 -4.6695 -4.6695 1.2861 1.2861 4.7477 4.7477 5.0035 5.0035 6.0792 6.0792 7.1415 7.1415 7.6456 7.6456 7.7939 7.7939 7.9323 7.9323 8.1714 8.1714 8.2874 8.2874 8.7085 8.7085 9.0914 9.0914 10.3126 10.3126 10.3571 10.3571 10.5453 10.5453 k =-0.1176 0.0674 0.5763 ( 4922 PWs) bands (ev): -5.3405 -5.3405 -5.2682 -5.2682 -5.2290 -5.2290 -5.2007 -5.2007 -4.8508 -4.8508 -4.8264 -4.8264 -4.7572 -4.7572 -4.7268 -4.7268 -4.6903 -4.6903 -4.6694 -4.6694 1.3002 1.3002 4.7673 4.7673 5.0174 5.0174 6.0400 6.0400 7.0726 7.0726 7.6717 7.6717 7.7968 7.7968 7.9362 7.9362 8.1802 8.1802 8.3389 8.3389 8.6889 8.6889 9.0945 9.0945 10.2814 10.2814 10.3601 10.3601 10.5519 10.5519 k =-0.1324 0.0759 0.5763 ( 4926 PWs) bands (ev): -5.3404 -5.3404 -5.2681 -5.2681 -5.2291 -5.2291 -5.2008 -5.2008 -4.8508 -4.8508 -4.8263 -4.8263 -4.7573 -4.7573 -4.7270 -4.7270 -4.6903 -4.6903 -4.6694 -4.6694 1.3161 1.3161 4.7894 4.7894 5.0332 5.0332 5.9981 5.9981 7.0009 7.0009 7.6974 7.6974 7.8001 7.8001 7.9437 7.9437 8.1900 8.1900 8.3920 8.3920 8.6671 8.6671 9.0954 9.0954 10.2430 10.2430 10.3672 10.3672 10.5588 10.5588 k =-0.1471 0.0843 0.5763 ( 4930 PWs) bands (ev): -5.3404 -5.3404 -5.2680 -5.2680 -5.2292 -5.2292 -5.2009 -5.2009 -4.8508 -4.8508 -4.8263 -4.8263 -4.7575 -4.7575 -4.7271 -4.7271 -4.6903 -4.6903 -4.6693 -4.6693 1.3335 1.3335 4.8138 4.8138 5.0505 5.0505 5.9541 5.9541 6.9270 6.9270 7.7214 7.7214 7.8038 7.8038 7.9558 7.9558 8.2005 8.2005 8.4465 8.4465 8.6435 8.6435 9.0936 9.0936 10.2003 10.2003 10.3758 10.3758 10.5654 10.5654 k =-0.1618 0.0927 0.5763 ( 4934 PWs) bands (ev): -5.3403 -5.3403 -5.2678 -5.2678 -5.2293 -5.2293 -5.2010 -5.2010 -4.8508 -4.8508 -4.8262 -4.8262 -4.7576 -4.7576 -4.7273 -4.7273 -4.6903 -4.6903 -4.6691 -4.6691 1.3524 1.3524 4.8404 4.8404 5.0695 5.0695 5.9085 5.9085 6.8514 6.8514 7.7425 7.7425 7.8077 7.8077 7.9736 7.9736 8.2115 8.2115 8.5021 8.5021 8.6180 8.6180 9.0886 9.0886 10.1546 10.1546 10.3853 10.3853 10.5709 10.5709 k =-0.1765 0.1011 0.5763 ( 4940 PWs) bands (ev): -5.3403 -5.3403 -5.2677 -5.2677 -5.2294 -5.2294 -5.2011 -5.2011 -4.8508 -4.8508 -4.8262 -4.8262 -4.7578 -4.7578 -4.7274 -4.7274 -4.6903 -4.6903 -4.6690 -4.6690 1.3728 1.3728 4.8692 4.8692 5.0899 5.0899 5.8619 5.8619 6.7748 6.7748 7.7598 7.7598 7.8119 7.8119 7.9975 7.9975 8.2228 8.2228 8.5588 8.5588 8.5913 8.5913 9.0802 9.0802 10.1066 10.1066 10.3952 10.3952 10.5744 10.5744 k =-0.1912 0.1096 0.5763 ( 4940 PWs) bands (ev): -5.3402 -5.3402 -5.2675 -5.2675 -5.2294 -5.2294 -5.2013 -5.2013 -4.8507 -4.8507 -4.8261 -4.8261 -4.7580 -4.7580 -4.7276 -4.7276 -4.6903 -4.6903 -4.6689 -4.6689 1.3944 1.3944 4.8999 4.8999 5.1117 5.1117 5.8147 5.8147 6.6974 6.6974 7.7734 7.7734 7.8164 7.8164 8.0273 8.0273 8.2340 8.2340 8.5630 8.5630 8.6170 8.6170 9.0682 9.0682 10.0571 10.0571 10.4053 10.4053 10.5749 10.5749 k =-0.2059 0.1180 0.5763 ( 4940 PWs) bands (ev): -5.3401 -5.3401 -5.2673 -5.2673 -5.2295 -5.2295 -5.2014 -5.2014 -4.8507 -4.8507 -4.8260 -4.8260 -4.7582 -4.7582 -4.7277 -4.7277 -4.6903 -4.6903 -4.6687 -4.6687 1.4171 1.4171 4.9324 4.9324 5.1349 5.1349 5.7676 5.7676 6.6197 6.6197 7.7835 7.7835 7.8211 7.8211 8.0622 8.0622 8.2447 8.2447 8.5344 8.5344 8.6759 8.6759 9.0527 9.0527 10.0066 10.0066 10.4154 10.4154 10.5716 10.5716 k =-0.2206 0.1264 0.5763 ( 4944 PWs) bands (ev): -5.3401 -5.3401 -5.2672 -5.2672 -5.2296 -5.2296 -5.2016 -5.2016 -4.8506 -4.8506 -4.8260 -4.8260 -4.7584 -4.7584 -4.7278 -4.7278 -4.6903 -4.6903 -4.6685 -4.6685 1.4409 1.4409 4.9666 4.9666 5.1592 5.1592 5.7208 5.7208 6.5421 6.5421 7.7909 7.7909 7.8260 7.8260 8.1012 8.1012 8.2542 8.2542 8.5060 8.5060 8.7360 8.7360 9.0340 9.0340 9.9557 9.9557 10.4249 10.4249 10.5637 10.5637 k =-0.2353 0.1349 0.5763 ( 4954 PWs) bands (ev): -5.3400 -5.3400 -5.2670 -5.2670 -5.2296 -5.2296 -5.2019 -5.2019 -4.8506 -4.8506 -4.8260 -4.8260 -4.7587 -4.7587 -4.7280 -4.7280 -4.6903 -4.6903 -4.6684 -4.6684 1.4655 1.4655 5.0020 5.0020 5.1846 5.1846 5.6749 5.6749 6.4651 6.4651 7.7961 7.7961 7.8310 7.8310 8.1432 8.1432 8.2612 8.2612 8.4790 8.4790 8.7972 8.7972 9.0126 9.0126 9.9051 9.9051 10.4334 10.4334 10.5510 10.5510 k =-0.2500 0.1433 0.5763 ( 4956 PWs) bands (ev): -5.3399 -5.3399 -5.2668 -5.2668 -5.2297 -5.2297 -5.2020 -5.2020 -4.8506 -4.8506 -4.8259 -4.8259 -4.7589 -4.7589 -4.7281 -4.7281 -4.6903 -4.6903 -4.6682 -4.6682 1.4907 1.4907 5.0385 5.0385 5.2109 5.2109 5.6304 5.6304 6.3890 6.3890 7.7994 7.7994 7.8362 7.8362 8.1872 8.1872 8.2640 8.2640 8.4552 8.4552 8.8595 8.8595 8.9892 8.9892 9.8553 9.8553 10.4396 10.4396 10.5346 10.5346 k =-0.2647 0.1517 0.5763 ( 4950 PWs) bands (ev): -5.3398 -5.3398 -5.2666 -5.2666 -5.2298 -5.2298 -5.2022 -5.2022 -4.8505 -4.8505 -4.8258 -4.8258 -4.7591 -4.7591 -4.7283 -4.7283 -4.6902 -4.6902 -4.6681 -4.6681 1.5165 1.5165 5.0756 5.0756 5.2379 5.2379 5.5878 5.5878 6.3142 6.3142 7.8011 7.8011 7.8415 7.8415 8.2325 8.2325 8.2603 8.2603 8.4370 8.4370 8.9227 8.9227 8.9648 8.9648 9.8067 9.8067 10.4402 10.4402 10.5173 10.5173 k =-0.2794 0.1601 0.5763 ( 4938 PWs) bands (ev): -5.3397 -5.3397 -5.2664 -5.2664 -5.2298 -5.2298 -5.2023 -5.2023 -4.8504 -4.8504 -4.8257 -4.8257 -4.7593 -4.7593 -4.7284 -4.7284 -4.6902 -4.6902 -4.6679 -4.6679 1.5425 1.5425 5.1127 5.1127 5.2654 5.2654 5.5477 5.5477 6.2412 6.2412 7.8010 7.8010 7.8469 7.8469 8.2481 8.2481 8.2783 8.2783 8.4264 8.4264 8.9393 8.9393 8.9878 8.9878 9.7598 9.7598 10.4290 10.4290 10.5056 10.5056 k =-0.2941 0.1686 0.5763 ( 4944 PWs) bands (ev): -5.3397 -5.3397 -5.2662 -5.2662 -5.2299 -5.2299 -5.2025 -5.2025 -4.8503 -4.8503 -4.8256 -4.8256 -4.7595 -4.7595 -4.7286 -4.7286 -4.6901 -4.6901 -4.6678 -4.6678 1.5686 1.5686 5.1488 5.1488 5.2933 5.2933 5.5110 5.5110 6.1702 6.1702 7.7992 7.7992 7.8522 7.8522 8.2276 8.2276 8.3237 8.3237 8.4235 8.4235 8.9158 8.9158 9.0530 9.0530 9.7150 9.7150 10.4028 10.4028 10.5032 10.5032 k =-0.3088 0.1770 0.5763 ( 4940 PWs) bands (ev): -5.3396 -5.3396 -5.2660 -5.2660 -5.2299 -5.2299 -5.2026 -5.2026 -4.8502 -4.8502 -4.8255 -4.8255 -4.7597 -4.7597 -4.7287 -4.7287 -4.6901 -4.6901 -4.6676 -4.6676 1.5946 1.5946 5.1827 5.1827 5.3212 5.3212 5.4791 5.4791 6.1018 6.1018 7.7954 7.7954 7.8574 7.8574 8.2008 8.2008 8.3676 8.3676 8.4264 8.4264 8.8949 8.8949 9.1193 9.1193 9.6726 9.6726 10.3657 10.3657 10.5063 10.5063 k =-0.3235 0.1854 0.5763 ( 4932 PWs) bands (ev): -5.3394 -5.3394 -5.2658 -5.2658 -5.2299 -5.2299 -5.2028 -5.2028 -4.8502 -4.8502 -4.8254 -4.8254 -4.7599 -4.7599 -4.7289 -4.7289 -4.6900 -4.6900 -4.6674 -4.6674 1.6201 1.6201 5.2118 5.2118 5.3490 5.3490 5.4541 5.4541 6.0364 6.0364 7.7895 7.7895 7.8625 7.8625 8.1701 8.1701 8.4089 8.4089 8.4330 8.4330 8.8783 8.8783 9.1862 9.1862 9.6329 9.6329 10.3217 10.3217 10.5114 10.5114 k =-0.3382 0.1939 0.5763 ( 4932 PWs) bands (ev): -5.3393 -5.3393 -5.2656 -5.2656 -5.2300 -5.2300 -5.2029 -5.2029 -4.8501 -4.8501 -4.8254 -4.8254 -4.7601 -4.7601 -4.7290 -4.7290 -4.6901 -4.6901 -4.6673 -4.6673 1.6450 1.6450 5.2327 5.2327 5.3763 5.3763 5.4394 5.4394 5.9743 5.9743 7.7815 7.7815 7.8674 7.8674 8.1374 8.1374 8.4408 8.4408 8.4466 8.4466 8.8682 8.8682 9.2536 9.2536 9.5960 9.5960 10.2730 10.2730 10.5171 10.5171 k =-0.3529 0.2023 0.5763 ( 4928 PWs) bands (ev): -5.3393 -5.3393 -5.2655 -5.2655 -5.2300 -5.2300 -5.2031 -5.2031 -4.8500 -4.8500 -4.8253 -4.8253 -4.7602 -4.7602 -4.7291 -4.7291 -4.6900 -4.6900 -4.6671 -4.6671 1.6689 1.6689 5.2416 5.2416 5.4029 5.4029 5.4385 5.4385 5.9159 5.9159 7.7713 7.7713 7.8721 7.8721 8.1040 8.1040 8.4506 8.4506 8.4775 8.4775 8.8665 8.8665 9.3210 9.3210 9.5623 9.5623 10.2210 10.2210 10.5227 10.5227 k =-0.3676 0.2107 0.5763 ( 4928 PWs) bands (ev): -5.3392 -5.3392 -5.2653 -5.2653 -5.2300 -5.2300 -5.2032 -5.2032 -4.8499 -4.8499 -4.8253 -4.8253 -4.7604 -4.7604 -4.7292 -4.7292 -4.6900 -4.6900 -4.6670 -4.6670 1.6917 1.6917 5.2385 5.2385 5.4286 5.4286 5.4508 5.4508 5.8616 5.8616 7.7591 7.7591 7.8765 7.8765 8.0712 8.0712 8.4601 8.4601 8.5016 8.5016 8.8747 8.8747 9.3880 9.3880 9.5318 9.5318 10.1666 10.1666 10.5279 10.5279 k =-0.3824 0.2191 0.5763 ( 4924 PWs) bands (ev): -5.3392 -5.3392 -5.2651 -5.2651 -5.2300 -5.2300 -5.2033 -5.2033 -4.8498 -4.8498 -4.8252 -4.8252 -4.7605 -4.7605 -4.7292 -4.7292 -4.6900 -4.6900 -4.6668 -4.6668 1.7130 1.7130 5.2275 5.2275 5.4530 5.4530 5.4720 5.4720 5.8118 5.8118 7.7453 7.7453 7.8805 7.8805 8.0396 8.0396 8.4693 8.4693 8.5183 8.5183 8.8929 8.8929 9.4538 9.4538 9.5045 9.5045 10.1108 10.1108 10.5327 10.5327 k =-0.3971 0.2276 0.5763 ( 4920 PWs) bands (ev): -5.3391 -5.3391 -5.2650 -5.2650 -5.2299 -5.2299 -5.2035 -5.2035 -4.8497 -4.8497 -4.8252 -4.8252 -4.7607 -4.7607 -4.7293 -4.7293 -4.6900 -4.6900 -4.6667 -4.6667 1.7325 1.7325 5.2130 5.2130 5.4757 5.4757 5.4973 5.4973 5.7670 5.7670 7.7304 7.7304 7.8840 7.8840 8.0100 8.0100 8.4779 8.4779 8.5286 8.5286 8.9198 8.9198 9.4804 9.4804 9.5180 9.5180 10.0548 10.0548 10.5370 10.5370 k =-0.4118 0.2360 0.5763 ( 4914 PWs) bands (ev): -5.3390 -5.3390 -5.2648 -5.2648 -5.2299 -5.2299 -5.2036 -5.2036 -4.8497 -4.8497 -4.8251 -4.8251 -4.7609 -4.7609 -4.7294 -4.7294 -4.6900 -4.6900 -4.6666 -4.6666 1.7501 1.7501 5.1979 5.1979 5.4962 5.4962 5.5234 5.5234 5.7273 5.7273 7.7150 7.7150 7.8869 7.8869 7.9832 7.9832 8.4857 8.4857 8.5341 8.5341 8.9527 8.9527 9.4598 9.4598 9.5790 9.5790 9.9996 9.9996 10.5408 10.5408 k =-0.4265 0.2444 0.5763 ( 4918 PWs) bands (ev): -5.3390 -5.3390 -5.2648 -5.2648 -5.2300 -5.2300 -5.2037 -5.2037 -4.8496 -4.8496 -4.8251 -4.8251 -4.7610 -4.7610 -4.7295 -4.7295 -4.6900 -4.6900 -4.6666 -4.6666 1.7655 1.7655 5.1837 5.1837 5.5142 5.5142 5.5480 5.5480 5.6933 5.6933 7.7000 7.7000 7.8891 7.8891 7.9598 7.9598 8.4925 8.4925 8.5366 8.5366 8.9889 8.9889 9.4424 9.4424 9.6356 9.6356 9.9468 9.9468 10.5441 10.5441 k =-0.4412 0.2529 0.5763 ( 4916 PWs) bands (ev): -5.3389 -5.3389 -5.2646 -5.2646 -5.2300 -5.2300 -5.2038 -5.2038 -4.8496 -4.8496 -4.8251 -4.8251 -4.7610 -4.7610 -4.7296 -4.7296 -4.6900 -4.6900 -4.6665 -4.6665 1.7784 1.7784 5.1714 5.1714 5.5294 5.5294 5.5696 5.5696 5.6652 5.6652 7.6862 7.6862 7.8903 7.8903 7.9405 7.9405 8.4982 8.4982 8.5375 8.5375 9.0253 9.0253 9.4282 9.4282 9.6861 9.6861 9.8982 9.8982 10.5471 10.5471 k =-0.4559 0.2613 0.5763 ( 4906 PWs) bands (ev): -5.3389 -5.3389 -5.2646 -5.2646 -5.2300 -5.2300 -5.2038 -5.2038 -4.8495 -4.8495 -4.8250 -4.8250 -4.7610 -4.7610 -4.7296 -4.7296 -4.6899 -4.6899 -4.6664 -4.6664 1.7886 1.7886 5.1615 5.1615 5.5416 5.5416 5.5869 5.5869 5.6436 5.6436 7.6745 7.6745 7.8901 7.8901 7.9262 7.9262 8.5027 8.5027 8.5376 8.5376 9.0589 9.0589 9.4173 9.4173 9.7282 9.7282 9.8561 9.8561 10.5496 10.5496 k =-0.4706 0.2697 0.5763 ( 4898 PWs) bands (ev): -5.3388 -5.3388 -5.2645 -5.2645 -5.2300 -5.2300 -5.2038 -5.2038 -4.8495 -4.8495 -4.8250 -4.8250 -4.7610 -4.7610 -4.7296 -4.7296 -4.6899 -4.6899 -4.6664 -4.6664 1.7960 1.7960 5.1543 5.1543 5.5505 5.5505 5.5986 5.5986 5.6292 5.6292 7.6655 7.6655 7.8884 7.8884 7.9174 7.9174 8.5059 8.5059 8.5374 8.5374 9.0864 9.0864 9.4095 9.4095 9.7593 9.7593 9.8241 9.8241 10.5515 10.5515 k =-0.4853 0.2781 0.5763 ( 4908 PWs) bands (ev): -5.3388 -5.3388 -5.2645 -5.2645 -5.2300 -5.2300 -5.2038 -5.2038 -4.8495 -4.8495 -4.8250 -4.8250 -4.7611 -4.7611 -4.7297 -4.7297 -4.6899 -4.6899 -4.6664 -4.6664 1.8005 1.8005 5.1499 5.1499 5.5559 5.5559 5.6031 5.6031 5.6233 5.6233 7.6599 7.6599 7.8861 7.8861 7.9132 7.9132 8.5079 8.5079 8.5372 8.5372 9.1046 9.1046 9.4049 9.4049 9.7749 9.7749 9.8071 9.8071 10.5527 10.5527 k =-0.5000 0.2866 0.5763 ( 4904 PWs) bands (ev): -5.3389 -5.3389 -5.2645 -5.2645 -5.2300 -5.2300 -5.2039 -5.2039 -4.8495 -4.8495 -4.8250 -4.8250 -4.7611 -4.7611 -4.7296 -4.7296 -4.6899 -4.6899 -4.6663 -4.6663 1.8021 1.8021 5.1484 5.1484 5.5577 5.5577 5.6033 5.6033 5.6226 5.6226 7.6579 7.6579 7.8850 7.8850 7.9121 7.9121 8.5085 8.5085 8.5371 8.5371 9.1110 9.1110 9.4033 9.4033 9.7767 9.7767 9.8047 9.8047 10.5531 10.5531 k =-0.5000 0.2866 0.5763 ( 4904 PWs) bands (ev): -5.3389 -5.3389 -5.2645 -5.2645 -5.2300 -5.2300 -5.2039 -5.2039 -4.8495 -4.8495 -4.8250 -4.8250 -4.7611 -4.7611 -4.7296 -4.7296 -4.6899 -4.6899 -4.6663 -4.6663 1.8021 1.8021 5.1484 5.1484 5.5577 5.5577 5.6033 5.6033 5.6226 5.6226 7.6579 7.6579 7.8850 7.8850 7.9121 7.9121 8.5085 8.5085 8.5371 8.5371 9.1110 9.1110 9.4033 9.4033 9.7767 9.7767 9.8047 9.8047 10.5531 10.5531 k =-0.4894 0.2805 0.5640 ( 4912 PWs) bands (ev): -5.3389 -5.3389 -5.2645 -5.2645 -5.2300 -5.2300 -5.2039 -5.2039 -4.8495 -4.8495 -4.8250 -4.8250 -4.7611 -4.7611 -4.7297 -4.7297 -4.6900 -4.6900 -4.6664 -4.6664 1.8005 1.8005 5.1499 5.1499 5.5558 5.5558 5.6034 5.6034 5.6230 5.6230 7.6599 7.6599 7.8861 7.8861 7.9133 7.9133 8.5078 8.5078 8.5372 8.5372 9.1043 9.1043 9.4049 9.4049 9.7748 9.7748 9.8073 9.8073 10.5527 10.5527 k =-0.4787 0.2744 0.5518 ( 4908 PWs) bands (ev): -5.3389 -5.3389 -5.2645 -5.2645 -5.2300 -5.2300 -5.2038 -5.2038 -4.8495 -4.8495 -4.8250 -4.8250 -4.7611 -4.7611 -4.7297 -4.7297 -4.6900 -4.6900 -4.6664 -4.6664 1.7957 1.7957 5.1546 5.1546 5.5501 5.5501 5.6028 5.6028 5.6251 5.6251 7.6659 7.6659 7.8891 7.8891 7.9171 7.9171 8.5058 8.5058 8.5375 8.5375 9.0852 9.0852 9.4098 9.4098 9.7576 9.7576 9.8258 9.8258 10.5514 10.5514 k =-0.4681 0.2683 0.5395 ( 4916 PWs) bands (ev): -5.3389 -5.3389 -5.2646 -5.2646 -5.2300 -5.2300 -5.2038 -5.2038 -4.8496 -4.8496 -4.8250 -4.8250 -4.7611 -4.7611 -4.7296 -4.7296 -4.6900 -4.6900 -4.6664 -4.6664 1.7878 1.7878 5.1623 5.1623 5.5408 5.5408 5.5996 5.5996 5.6310 5.6310 7.6757 7.6757 7.8928 7.8928 7.9245 7.9245 8.5024 8.5024 8.5379 8.5379 9.0562 9.0562 9.4178 9.4178 9.7239 9.7239 9.8603 9.8603 10.5496 10.5496 k =-0.4574 0.2622 0.5273 ( 4916 PWs) bands (ev): -5.3389 -5.3389 -5.2647 -5.2647 -5.2300 -5.2300 -5.2038 -5.2038 -4.8496 -4.8496 -4.8251 -4.8251 -4.7610 -4.7610 -4.7295 -4.7295 -4.6900 -4.6900 -4.6665 -4.6665 1.7768 1.7768 5.1730 5.1730 5.5279 5.5279 5.5935 5.5935 5.6411 5.6411 7.6889 7.6889 7.8965 7.8965 7.9361 7.9361 8.4976 8.4976 8.5385 8.5385 9.0204 9.0204 9.4290 9.4290 9.6783 9.6783 9.9052 9.9052 10.5475 10.5475 k =-0.4468 0.2561 0.5150 ( 4920 PWs) bands (ev): -5.3390 -5.3390 -5.2648 -5.2648 -5.2299 -5.2299 -5.2038 -5.2038 -4.8496 -4.8496 -4.8251 -4.8251 -4.7610 -4.7610 -4.7294 -4.7294 -4.6900 -4.6900 -4.6666 -4.6666 1.7628 1.7628 5.1868 5.1868 5.5118 5.5118 5.5853 5.5853 5.6552 5.6552 7.7051 7.7051 7.9000 7.9000 7.9519 7.9519 8.4916 8.4916 8.5393 8.5393 8.9805 8.9805 9.4434 9.4434 9.6237 9.6237 9.9570 9.9570 10.5454 10.5454 k =-0.4362 0.2500 0.5027 ( 4926 PWs) bands (ev): -5.3391 -5.3391 -5.2649 -5.2649 -5.2299 -5.2299 -5.2037 -5.2037 -4.8497 -4.8497 -4.8252 -4.8252 -4.7609 -4.7609 -4.7293 -4.7293 -4.6901 -4.6901 -4.6667 -4.6667 1.7457 1.7457 5.2034 5.2034 5.4925 5.4925 5.5757 5.5757 5.6728 5.6728 7.7239 7.7239 7.9034 7.9034 7.9713 7.9713 8.4843 8.4843 8.5401 8.5401 8.9386 8.9386 9.4607 9.4607 9.5624 9.5624 10.0129 10.0129 10.5436 10.5436 k =-0.4255 0.2439 0.4905 ( 4930 PWs) bands (ev): -5.3392 -5.3392 -5.2650 -5.2650 -5.2299 -5.2299 -5.2036 -5.2036 -4.8497 -4.8497 -4.8253 -4.8253 -4.7608 -4.7608 -4.7292 -4.7292 -4.6901 -4.6901 -4.6668 -4.6668 1.7258 1.7258 5.2229 5.2229 5.4705 5.4705 5.5651 5.5651 5.6939 5.6939 7.7447 7.7447 7.9070 7.9070 7.9937 7.9937 8.4758 8.4758 8.5411 8.5411 8.8964 8.8964 9.4809 9.4809 9.4964 9.4964 10.0711 10.0711 10.5423 10.5423 k =-0.4149 0.2378 0.4782 ( 4928 PWs) bands (ev): -5.3392 -5.3392 -5.2651 -5.2651 -5.2299 -5.2299 -5.2034 -5.2034 -4.8498 -4.8498 -4.8253 -4.8253 -4.7606 -4.7606 -4.7292 -4.7292 -4.6901 -4.6901 -4.6669 -4.6669 1.7030 1.7030 5.2452 5.2452 5.4461 5.4461 5.5542 5.5542 5.7184 5.7184 7.7668 7.7668 7.9110 7.9110 8.0184 8.0184 8.4662 8.4662 8.5422 8.5422 8.8551 8.8551 9.4268 9.4268 9.5043 9.5043 10.1299 10.1299 10.5419 10.5419 k =-0.4043 0.2317 0.4659 ( 4936 PWs) bands (ev): -5.3393 -5.3393 -5.2653 -5.2653 -5.2300 -5.2300 -5.2032 -5.2032 -4.8499 -4.8499 -4.8253 -4.8253 -4.7604 -4.7604 -4.7291 -4.7291 -4.6901 -4.6901 -4.6671 -4.6671 1.6774 1.6774 5.2701 5.2701 5.4195 5.4195 5.5433 5.5433 5.7464 5.7464 7.7896 7.7896 7.9154 7.9154 8.0448 8.0448 8.4557 8.4557 8.5434 8.5434 8.8155 8.8155 9.3553 9.3553 9.5302 9.5302 10.1879 10.1879 10.5425 10.5425 k =-0.3936 0.2256 0.4537 ( 4930 PWs) bands (ev): -5.3393 -5.3393 -5.2655 -5.2655 -5.2300 -5.2300 -5.2030 -5.2030 -4.8500 -4.8500 -4.8254 -4.8254 -4.7601 -4.7601 -4.7290 -4.7290 -4.6900 -4.6900 -4.6673 -4.6673 1.6493 1.6493 5.2973 5.2973 5.3913 5.3913 5.5329 5.5329 5.7777 5.7777 7.8123 7.8123 7.9205 7.9205 8.0724 8.0724 8.4443 8.4443 8.5445 8.5445 8.7786 8.7786 9.2826 9.2826 9.5588 9.5588 10.2441 10.2441 10.5445 10.5445 k =-0.3830 0.2195 0.4414 ( 4922 PWs) bands (ev): -5.3394 -5.3394 -5.2656 -5.2656 -5.2299 -5.2299 -5.2028 -5.2028 -4.8501 -4.8501 -4.8254 -4.8254 -4.7599 -4.7599 -4.7289 -4.7289 -4.6900 -4.6900 -4.6673 -4.6673 1.6187 1.6187 5.3258 5.3258 5.3627 5.3627 5.5233 5.5233 5.8124 5.8124 7.8344 7.8344 7.9261 7.9261 8.1005 8.1005 8.4323 8.4323 8.5456 8.5456 8.7448 8.7448 9.2096 9.2096 9.5900 9.5900 10.2976 10.2976 10.5482 10.5482 k =-0.3723 0.2134 0.4292 ( 4918 PWs) bands (ev): -5.3395 -5.3395 -5.2658 -5.2658 -5.2299 -5.2299 -5.2025 -5.2025 -4.8502 -4.8502 -4.8254 -4.8254 -4.7596 -4.7596 -4.7288 -4.7288 -4.6900 -4.6900 -4.6675 -4.6675 1.5858 1.5858 5.3260 5.3260 5.3634 5.3634 5.5150 5.5150 5.8504 5.8504 7.8551 7.8551 7.9325 7.9325 8.1283 8.1283 8.4201 8.4201 8.5467 8.5467 8.7146 8.7146 9.1367 9.1367 9.6235 9.6235 10.3475 10.3475 10.5539 10.5539 k =-0.3617 0.2073 0.4169 ( 4928 PWs) bands (ev): -5.3396 -5.3396 -5.2660 -5.2660 -5.2299 -5.2299 -5.2024 -5.2024 -4.8503 -4.8503 -4.8255 -4.8255 -4.7595 -4.7595 -4.7286 -4.7286 -4.6900 -4.6900 -4.6677 -4.6677 1.5507 1.5507 5.2951 5.2951 5.3965 5.3965 5.5083 5.5083 5.8917 5.8917 7.8739 7.8739 7.9395 7.9395 8.1550 8.1550 8.4080 8.4080 8.5476 8.5476 8.6883 8.6883 9.0645 9.0645 9.6594 9.6594 10.3932 10.3932 10.5618 10.5618 k =-0.3511 0.2012 0.4046 ( 4932 PWs) bands (ev): -5.3397 -5.3397 -5.2662 -5.2662 -5.2299 -5.2299 -5.2022 -5.2022 -4.8504 -4.8504 -4.8256 -4.8256 -4.7593 -4.7593 -4.7285 -4.7285 -4.6900 -4.6900 -4.6679 -4.6679 1.5137 1.5137 5.2621 5.2621 5.4331 5.4331 5.5035 5.5035 5.9364 5.9364 7.8902 7.8902 7.9473 7.9473 8.1795 8.1795 8.3969 8.3969 8.5483 8.5483 8.6661 8.6661 8.9933 8.9933 9.6974 9.6974 10.4342 10.4342 10.5724 10.5724 k =-0.3404 0.1951 0.3924 ( 4920 PWs) bands (ev): -5.3398 -5.3398 -5.2664 -5.2664 -5.2298 -5.2298 -5.2020 -5.2020 -4.8504 -4.8504 -4.8257 -4.8257 -4.7590 -4.7590 -4.7282 -4.7282 -4.6900 -4.6900 -4.6680 -4.6680 1.4749 1.4749 5.2283 5.2283 5.4719 5.4719 5.5008 5.5008 5.9842 5.9842 7.9039 7.9039 7.9557 7.9557 8.2004 8.2004 8.3878 8.3878 8.5486 8.5486 8.6480 8.6480 8.9235 8.9235 9.7375 9.7375 10.4700 10.4700 10.5858 10.5858 k =-0.3298 0.1890 0.3801 ( 4924 PWs) bands (ev): -5.3399 -5.3399 -5.2666 -5.2666 -5.2298 -5.2298 -5.2017 -5.2017 -4.8505 -4.8505 -4.8257 -4.8257 -4.7587 -4.7587 -4.7281 -4.7281 -4.6901 -4.6901 -4.6682 -4.6682 1.4345 1.4345 5.1941 5.1941 5.5004 5.5004 5.5128 5.5128 6.0351 6.0351 7.9147 7.9147 7.9647 7.9647 8.2162 8.2162 8.3822 8.3822 8.5486 8.5486 8.6337 8.6337 8.8554 8.8554 9.7794 9.7794 10.5006 10.5006 10.6018 10.6018 k =-0.3191 0.1829 0.3678 ( 4928 PWs) bands (ev): -5.3400 -5.3400 -5.2668 -5.2668 -5.2298 -5.2298 -5.2015 -5.2015 -4.8507 -4.8507 -4.8258 -4.8258 -4.7584 -4.7584 -4.7279 -4.7279 -4.6901 -4.6901 -4.6684 -4.6684 1.3928 1.3928 5.1597 5.1597 5.5025 5.5025 5.5555 5.5555 6.0890 6.0890 7.9226 7.9226 7.9743 7.9743 8.2250 8.2250 8.3814 8.3814 8.5478 8.5478 8.6226 8.6226 8.7894 8.7894 9.8231 9.8231 10.5266 10.5266 10.6199 10.6199 k =-0.3085 0.1768 0.3556 ( 4940 PWs) bands (ev): -5.3402 -5.3402 -5.2671 -5.2671 -5.2298 -5.2298 -5.2013 -5.2013 -4.8508 -4.8508 -4.8259 -4.8259 -4.7581 -4.7581 -4.7278 -4.7278 -4.6901 -4.6901 -4.6687 -4.6687 1.3499 1.3499 5.1252 5.1252 5.5073 5.5073 5.6000 5.6000 6.1458 6.1458 7.9278 7.9278 7.9846 7.9846 8.2262 8.2262 8.3861 8.3861 8.5458 8.5458 8.6140 8.6140 8.7262 8.7262 9.8684 9.8684 10.5489 10.5489 10.6391 10.6391 k =-0.2979 0.1707 0.3433 ( 4940 PWs) bands (ev): -5.3403 -5.3403 -5.2673 -5.2673 -5.2298 -5.2298 -5.2010 -5.2010 -4.8509 -4.8509 -4.8261 -4.8261 -4.7578 -4.7578 -4.7276 -4.7276 -4.6901 -4.6901 -4.6689 -4.6689 1.3061 1.3061 5.0910 5.0910 5.5148 5.5148 5.6462 5.6462 6.2053 6.2053 7.9304 7.9304 7.9957 7.9957 8.2208 8.2208 8.3951 8.3951 8.5413 8.5413 8.6065 8.6065 8.6677 8.6677 9.9152 9.9152 10.5682 10.5682 10.6584 10.6584 k =-0.2872 0.1646 0.3311 ( 4936 PWs) bands (ev): -5.3404 -5.3404 -5.2675 -5.2675 -5.2298 -5.2298 -5.2007 -5.2007 -4.8510 -4.8510 -4.8261 -4.8261 -4.7575 -4.7575 -4.7274 -4.7274 -4.6901 -4.6901 -4.6691 -4.6691 1.2615 1.2615 5.0571 5.0571 5.5253 5.5253 5.6940 5.6940 6.2673 6.2673 7.9309 7.9309 8.0075 8.0075 8.2107 8.2107 8.4065 8.4065 8.5296 8.5296 8.5969 8.5969 8.6208 8.6208 9.9634 9.9634 10.5851 10.5851 10.6775 10.6775 k =-0.2766 0.1585 0.3188 ( 4934 PWs) bands (ev): -5.3405 -5.3405 -5.2677 -5.2677 -5.2297 -5.2297 -5.2005 -5.2005 -4.8510 -4.8510 -4.8263 -4.8263 -4.7571 -4.7571 -4.7272 -4.7272 -4.6902 -4.6902 -4.6693 -4.6693 1.2165 1.2165 5.0236 5.0236 5.5386 5.5386 5.7432 5.7432 6.3316 6.3316 7.9298 7.9298 8.0201 8.0201 8.1976 8.1976 8.4185 8.4185 8.5006 8.5006 8.5787 8.5787 8.6011 8.6011 10.0127 10.0127 10.5992 10.5992 10.6963 10.6963 k =-0.2660 0.1524 0.3065 ( 4930 PWs) bands (ev): -5.3406 -5.3406 -5.2679 -5.2679 -5.2296 -5.2296 -5.2002 -5.2002 -4.8511 -4.8511 -4.8264 -4.8264 -4.7568 -4.7568 -4.7269 -4.7269 -4.6902 -4.6902 -4.6695 -4.6695 1.1713 1.1713 4.9907 4.9907 5.5549 5.5549 5.7938 5.7938 6.3979 6.3979 7.9274 7.9274 8.0334 8.0334 8.1827 8.1827 8.4298 8.4298 8.4549 8.4549 8.5671 8.5671 8.5920 8.5920 10.0630 10.0630 10.6102 10.6102 10.7149 10.7149 k =-0.2553 0.1463 0.2943 ( 4930 PWs) bands (ev): -5.3408 -5.3408 -5.2681 -5.2681 -5.2296 -5.2296 -5.2000 -5.2000 -4.8512 -4.8512 -4.8265 -4.8265 -4.7564 -4.7564 -4.7267 -4.7267 -4.6903 -4.6903 -4.6697 -4.6697 1.1259 1.1259 4.9584 4.9584 5.5742 5.5742 5.8457 5.8457 6.4660 6.4660 7.9242 7.9242 8.0474 8.0474 8.1670 8.1670 8.4028 8.4028 8.4405 8.4405 8.5605 8.5605 8.5830 8.5830 10.1143 10.1143 10.6176 10.6176 10.7226 10.7226 k =-0.2447 0.1402 0.2820 ( 4926 PWs) bands (ev): -5.3408 -5.3408 -5.2683 -5.2683 -5.2296 -5.2296 -5.1997 -5.1997 -4.8513 -4.8513 -4.8265 -4.8265 -4.7561 -4.7561 -4.7265 -4.7265 -4.6902 -4.6902 -4.6700 -4.6700 1.0808 1.0808 4.9269 4.9269 5.5965 5.5965 5.8987 5.8987 6.5356 6.5356 7.9206 7.9206 8.0618 8.0618 8.1508 8.1508 8.3506 8.3506 8.4488 8.4488 8.5525 8.5525 8.5747 8.5747 10.1662 10.1662 10.6214 10.6214 10.7203 10.7203 k =-0.2340 0.1341 0.2698 ( 4934 PWs) bands (ev): -5.3410 -5.3410 -5.2686 -5.2686 -5.2296 -5.2296 -5.1994 -5.1994 -4.8514 -4.8514 -4.8267 -4.8267 -4.7558 -4.7558 -4.7263 -4.7263 -4.6903 -4.6903 -4.6702 -4.6702 1.0360 1.0360 4.8963 4.8963 5.6217 5.6217 5.9527 5.9527 6.6064 6.6064 7.9168 7.9168 8.0767 8.0767 8.1348 8.1348 8.2990 8.2990 8.4552 8.4552 8.5383 8.5383 8.5698 8.5698 10.2187 10.2187 10.6219 10.6219 10.7194 10.7194 k =-0.2234 0.1280 0.2575 ( 4930 PWs) bands (ev): -5.3411 -5.3411 -5.2688 -5.2688 -5.2295 -5.2295 -5.1992 -5.1992 -4.8514 -4.8514 -4.8268 -4.8268 -4.7554 -4.7554 -4.7261 -4.7261 -4.6903 -4.6903 -4.6705 -4.6705 0.9918 0.9918 4.8666 4.8666 5.6500 5.6500 6.0075 6.0075 6.6779 6.6779 7.9130 7.9130 8.0916 8.0916 8.1196 8.1196 8.2486 8.2486 8.4597 8.4597 8.5171 8.5171 8.5680 8.5680 10.2715 10.2715 10.6198 10.6198 10.7204 10.7205 k =-0.2128 0.1219 0.2452 ( 4938 PWs) bands (ev): -5.3412 -5.3412 -5.2690 -5.2690 -5.2296 -5.2296 -5.1989 -5.1989 -4.8516 -4.8516 -4.8269 -4.8269 -4.7551 -4.7551 -4.7259 -4.7259 -4.6903 -4.6903 -4.6707 -4.6707 0.9484 0.9484 4.8379 4.8379 5.6812 5.6812 6.0631 6.0631 6.7498 6.7498 7.9092 7.9092 8.0994 8.0994 8.1121 8.1121 8.1998 8.1998 8.4620 8.4620 8.4899 8.4899 8.5680 8.5680 10.3244 10.3244 10.6159 10.6159 10.7234 10.7234 k =-0.2021 0.1158 0.2330 ( 4938 PWs) bands (ev): -5.3413 -5.3413 -5.2692 -5.2692 -5.2295 -5.2295 -5.1987 -5.1987 -4.8516 -4.8516 -4.8270 -4.8270 -4.7548 -4.7548 -4.7257 -4.7257 -4.6904 -4.6904 -4.6709 -4.6709 0.9060 0.9060 4.8103 4.8103 5.7153 5.7153 6.1193 6.1193 6.8216 6.8216 7.9055 7.9055 8.0873 8.0873 8.1255 8.1255 8.1528 8.1528 8.4567 8.4567 8.4630 8.4630 8.5691 8.5691 10.3770 10.3770 10.6109 10.6109 10.7282 10.7282 k =-0.1915 0.1097 0.2207 ( 4938 PWs) bands (ev): -5.3414 -5.3414 -5.2694 -5.2694 -5.2294 -5.2294 -5.1985 -5.1985 -4.8516 -4.8516 -4.8272 -4.8272 -4.7545 -4.7545 -4.7254 -4.7254 -4.6904 -4.6904 -4.6711 -4.6711 0.8646 0.8646 4.7838 4.7838 5.7523 5.7523 6.1759 6.1759 6.8929 6.8929 7.9016 7.9016 8.0737 8.0737 8.1073 8.1073 8.1414 8.1414 8.4194 8.4194 8.4611 8.4611 8.5711 8.5711 10.4288 10.4288 10.6055 10.6055 10.7342 10.7342 k =-0.1809 0.1037 0.2084 ( 4946 PWs) bands (ev): -5.3416 -5.3416 -5.2696 -5.2696 -5.2294 -5.2294 -5.1983 -5.1983 -4.8517 -4.8517 -4.8273 -4.8273 -4.7542 -4.7542 -4.7253 -4.7253 -4.6905 -4.6905 -4.6714 -4.6714 0.8246 0.8246 4.7585 4.7585 5.7920 5.7920 6.2327 6.2327 6.9630 6.9630 7.8971 7.8971 8.0607 8.0607 8.0642 8.0642 8.1574 8.1574 8.3774 8.3774 8.4580 8.4580 8.5741 8.5741 10.4787 10.4787 10.6007 10.6007 10.7390 10.7390 k =-0.1702 0.0976 0.1962 ( 4950 PWs) bands (ev): -5.3417 -5.3417 -5.2697 -5.2697 -5.2294 -5.2294 -5.1981 -5.1981 -4.8517 -4.8517 -4.8274 -4.8274 -4.7540 -4.7540 -4.7250 -4.7250 -4.6905 -4.6905 -4.6716 -4.6716 0.7861 0.7861 4.7344 4.7344 5.8345 5.8345 6.2895 6.2895 7.0314 7.0314 7.8916 7.8916 8.0233 8.0233 8.0487 8.0487 8.1732 8.1732 8.3320 8.3320 8.4532 8.4532 8.5778 8.5778 10.5234 10.5234 10.5992 10.5992 10.7378 10.7378 k =-0.1596 0.0915 0.1839 ( 4954 PWs) bands (ev): -5.3418 -5.3418 -5.2699 -5.2699 -5.2293 -5.2293 -5.1980 -5.1980 -4.8518 -4.8518 -4.8276 -4.8276 -4.7538 -4.7538 -4.7248 -4.7248 -4.6906 -4.6906 -4.6718 -4.6718 0.7491 0.7491 4.7116 4.7116 5.8796 5.8796 6.3462 6.3462 7.0971 7.0971 7.8841 7.8841 7.9852 7.9852 8.0375 8.0375 8.1884 8.1884 8.2850 8.2850 8.4471 8.4471 8.5823 8.5823 10.5522 10.5522 10.6098 10.6098 10.7302 10.7302 k =-0.1489 0.0854 0.1717 ( 4954 PWs) bands (ev): -5.3419 -5.3419 -5.2700 -5.2700 -5.2293 -5.2293 -5.1978 -5.1978 -4.8518 -4.8518 -4.8277 -4.8277 -4.7535 -4.7535 -4.7246 -4.7246 -4.6906 -4.6906 -4.6720 -4.6720 0.7139 0.7139 4.6901 4.6901 5.9272 5.9272 6.4026 6.4026 7.1593 7.1593 7.8731 7.8731 7.9506 7.9506 8.0271 8.0271 8.2002 8.2002 8.2409 8.2409 8.4398 8.4398 8.5873 8.5873 10.5577 10.5577 10.6343 10.6343 10.7265 10.7265 k =-0.1383 0.0793 0.1594 ( 4956 PWs) bands (ev): -5.3420 -5.3420 -5.2702 -5.2702 -5.2293 -5.2293 -5.1976 -5.1976 -4.8519 -4.8519 -4.8278 -4.8278 -4.7532 -4.7532 -4.7244 -4.7244 -4.6906 -4.6906 -4.6722 -4.6722 0.6806 0.6806 4.6699 4.6699 5.9772 5.9772 6.4584 6.4584 7.2166 7.2166 7.8567 7.8567 7.9205 7.9205 8.0175 8.0175 8.1834 8.1834 8.2275 8.2275 8.4315 8.4315 8.5927 8.5927 10.5535 10.5535 10.6473 10.6473 10.7416 10.7416 k =-0.1277 0.0732 0.1471 ( 4945 PWs) bands (ev): -5.3421 -5.3421 -5.2703 -5.2703 -5.2291 -5.2291 -5.1974 -5.1974 -4.8518 -4.8518 -4.8279 -4.8279 -4.7529 -4.7529 -4.7241 -4.7241 -4.6907 -4.6907 -4.6723 -4.6723 0.6493 0.6493 4.6511 4.6511 6.0294 6.0294 6.5134 6.5134 7.2673 7.2673 7.8324 7.8324 7.8960 7.8960 8.0085 8.0085 8.1466 8.1466 8.2392 8.2392 8.4224 8.4224 8.5982 8.5982 10.5465 10.5465 10.6422 10.6422 10.7760 10.7760 k =-0.1170 0.0671 0.1349 ( 4945 PWs) bands (ev): -5.3422 -5.3422 -5.2704 -5.2704 -5.2291 -5.2291 -5.1973 -5.1973 -4.8518 -4.8518 -4.8280 -4.8280 -4.7527 -4.7527 -4.7240 -4.7240 -4.6907 -4.6907 -4.6725 -4.6725 0.6201 0.6201 4.6337 4.6337 6.0838 6.0838 6.5675 6.5675 7.3095 7.3095 7.7982 7.7982 7.8786 7.8786 8.0002 8.0002 8.1158 8.1158 8.2526 8.2526 8.4128 8.4128 8.6033 8.6033 10.5384 10.5384 10.6298 10.6298 10.8173 10.8174 k =-0.1064 0.0610 0.1226 ( 4945 PWs) bands (ev): -5.3422 -5.3422 -5.2705 -5.2705 -5.2291 -5.2291 -5.1971 -5.1971 -4.8519 -4.8519 -4.8281 -4.8281 -4.7525 -4.7525 -4.7238 -4.7238 -4.6907 -4.6907 -4.6726 -4.6726 0.5931 0.5931 4.6178 4.6178 6.1399 6.1399 6.6205 6.6205 7.3410 7.3410 7.7536 7.7536 7.8698 7.8698 7.9930 7.9930 8.0938 8.0938 8.2657 8.2657 8.4030 8.4030 8.6078 8.6078 10.5298 10.5298 10.6157 10.6157 10.8595 10.8595 k =-0.0957 0.0549 0.1104 ( 4947 PWs) bands (ev): -5.3423 -5.3423 -5.2707 -5.2707 -5.2291 -5.2291 -5.1969 -5.1969 -4.8519 -4.8519 -4.8281 -4.8281 -4.7523 -4.7523 -4.7237 -4.7237 -4.6908 -4.6908 -4.6728 -4.6728 0.5684 0.5684 4.6033 4.6033 6.1976 6.1976 6.6722 6.6722 7.3602 7.3602 7.6998 7.6998 7.8711 7.8711 7.9873 7.9873 8.0797 8.0797 8.2781 8.2781 8.3930 8.3930 8.6112 8.6112 10.5210 10.5210 10.6016 10.6016 10.8998 10.8998 k =-0.0851 0.0488 0.0981 ( 4967 PWs) bands (ev): -5.3424 -5.3424 -5.2708 -5.2708 -5.2291 -5.2291 -5.1969 -5.1969 -4.8520 -4.8520 -4.8283 -4.8283 -4.7522 -4.7522 -4.7236 -4.7236 -4.6909 -4.6909 -4.6730 -4.6730 0.5461 0.5461 4.5902 4.5902 6.2563 6.2563 6.7224 6.7224 7.3670 7.3670 7.6393 7.6393 7.8820 7.8820 7.9835 7.9835 8.0715 8.0715 8.2895 8.2895 8.3833 8.3833 8.6132 8.6132 10.5123 10.5123 10.5881 10.5881 10.9359 10.9359 k =-0.0745 0.0427 0.0858 ( 4967 PWs) bands (ev): -5.3424 -5.3424 -5.2709 -5.2709 -5.2291 -5.2291 -5.1968 -5.1968 -4.8520 -4.8520 -4.8283 -4.8283 -4.7520 -4.7520 -4.7235 -4.7235 -4.6909 -4.6909 -4.6731 -4.6731 0.5263 0.5263 4.5787 4.5787 6.3157 6.3157 6.7708 6.7708 7.3626 7.3626 7.5749 7.5749 7.9001 7.9001 7.9822 7.9822 8.0673 8.0673 8.2997 8.2997 8.3741 8.3741 8.6135 8.6135 10.5038 10.5038 10.5757 10.5757 10.9660 10.9660 k =-0.0638 0.0366 0.0736 ( 4961 PWs) bands (ev): -5.3425 -5.3425 -5.2710 -5.2710 -5.2290 -5.2290 -5.1967 -5.1967 -4.8520 -4.8520 -4.8284 -4.8284 -4.7519 -4.7519 -4.7233 -4.7233 -4.6909 -4.6909 -4.6731 -4.6731 0.5089 0.5089 4.5687 4.5687 6.3749 6.3749 6.8171 6.8171 7.3494 7.3494 7.5090 7.5090 7.9209 7.9209 7.9850 7.9850 8.0656 8.0656 8.3087 8.3087 8.3657 8.3657 8.6120 8.6120 10.4960 10.4960 10.5647 10.5647 10.9905 10.9905 k =-0.0532 0.0305 0.0613 ( 4959 PWs) bands (ev): -5.3426 -5.3426 -5.2710 -5.2710 -5.2289 -5.2289 -5.1967 -5.1967 -4.8519 -4.8519 -4.8285 -4.8285 -4.7518 -4.7518 -4.7231 -4.7231 -4.6910 -4.6910 -4.6732 -4.6732 0.4942 0.4942 4.5601 4.5601 6.4327 6.4327 6.8611 6.8611 7.3302 7.3302 7.4439 7.4439 7.9378 7.9378 7.9947 7.9947 8.0655 8.0655 8.3162 8.3162 8.3583 8.3583 8.6088 8.6088 10.4889 10.4889 10.5551 10.5551 11.0108 11.0108 k =-0.0426 0.0244 0.0490 ( 4959 PWs) bands (ev): -5.3426 -5.3426 -5.2711 -5.2711 -5.2289 -5.2289 -5.1966 -5.1966 -4.8520 -4.8520 -4.8286 -4.8286 -4.7517 -4.7517 -4.7230 -4.7230 -4.6910 -4.6910 -4.6732 -4.6732 0.4820 0.4820 4.5532 4.5532 6.4877 6.4877 6.9019 6.9019 7.3074 7.3074 7.3822 7.3822 7.9470 7.9470 8.0120 8.0120 8.0666 8.0666 8.3219 8.3219 8.3524 8.3524 8.6044 8.6044 10.4828 10.4828 10.5470 10.5470 11.0275 11.0275 k =-0.0319 0.0183 0.0368 ( 4959 PWs) bands (ev): -5.3427 -5.3427 -5.2711 -5.2711 -5.2289 -5.2289 -5.1965 -5.1965 -4.8520 -4.8520 -4.8286 -4.8286 -4.7516 -4.7516 -4.7230 -4.7230 -4.6910 -4.6910 -4.6733 -4.6733 0.4726 0.4726 4.5477 4.5477 6.5373 6.5373 6.9385 6.9385 7.2834 7.2834 7.3271 7.3271 7.9509 7.9509 8.0311 8.0311 8.0688 8.0688 8.3257 8.3257 8.3484 8.3484 8.5994 8.5994 10.4778 10.4778 10.5407 10.5407 11.0407 11.0407 k =-0.0213 0.0122 0.0245 ( 4959 PWs) bands (ev): -5.3427 -5.3427 -5.2711 -5.2711 -5.2289 -5.2289 -5.1965 -5.1965 -4.8519 -4.8519 -4.8286 -4.8286 -4.7516 -4.7516 -4.7229 -4.7229 -4.6910 -4.6910 -4.6733 -4.6733 0.4658 0.4658 4.5438 4.5438 6.5780 6.5780 6.9690 6.9690 7.2604 7.2604 7.2833 7.2833 7.9526 7.9526 8.0459 8.0459 8.0727 8.0727 8.3275 8.3275 8.3463 8.3463 8.5948 8.5948 10.4742 10.4742 10.5362 10.5362 11.0502 11.0502 k =-0.0106 0.0061 0.0123 ( 4959 PWs) bands (ev): -5.3427 -5.3427 -5.2711 -5.2711 -5.2289 -5.2289 -5.1965 -5.1965 -4.8520 -4.8520 -4.8286 -4.8286 -4.7516 -4.7516 -4.7229 -4.7229 -4.6911 -4.6911 -4.6733 -4.6733 0.4617 0.4617 4.5415 4.5415 6.6054 6.6054 6.9901 6.9901 7.2404 7.2404 7.2570 7.2570 7.9532 7.9532 8.0535 8.0535 8.0777 8.0777 8.3279 8.3279 8.3457 8.3457 8.5916 8.5916 10.4720 10.4720 10.5334 10.5334 11.0560 11.0560 k = 0.0000 0.0000 0.0000 ( 4967 PWs) bands (ev): -5.3427 -5.3427 -5.2711 -5.2711 -5.2289 -5.2289 -5.1966 -5.1966 -4.8520 -4.8520 -4.8287 -4.8287 -4.7516 -4.7516 -4.7229 -4.7229 -4.6912 -4.6912 -4.6733 -4.6733 0.4603 0.4603 4.5407 4.5407 6.6152 6.6152 6.9978 6.9978 7.2317 7.2317 7.2489 7.2489 7.9534 7.9534 8.0555 8.0555 8.0800 8.0800 8.3279 8.3279 8.3456 8.3456 8.5904 8.5904 10.4713 10.4713 10.5325 10.5325 11.0580 11.0580 k = 0.0000 0.0000 0.0000 ( 4967 PWs) bands (ev): -5.3427 -5.3427 -5.2711 -5.2711 -5.2289 -5.2289 -5.1966 -5.1966 -4.8520 -4.8520 -4.8287 -4.8287 -4.7516 -4.7516 -4.7229 -4.7229 -4.6912 -4.6912 -4.6733 -4.6733 0.4603 0.4603 4.5407 4.5407 6.6152 6.6152 6.9978 6.9978 7.2317 7.2317 7.2489 7.2489 7.9534 7.9534 8.0555 8.0555 8.0800 8.0800 8.3279 8.3279 8.3456 8.3456 8.5904 8.5904 10.4713 10.4713 10.5325 10.5325 11.0580 11.0580 k = 0.0086 0.0151 0.0000 ( 4959 PWs) bands (ev): -5.3425 -5.3425 -5.2711 -5.2711 -5.2288 -5.2288 -5.1965 -5.1965 -4.8519 -4.8519 -4.8287 -4.8287 -4.7516 -4.7516 -4.7229 -4.7229 -4.6912 -4.6912 -4.6736 -4.6736 0.4620 0.4620 4.5349 4.5349 6.6169 6.6169 7.0050 7.0050 7.2295 7.2295 7.2468 7.2468 7.9487 7.9487 8.0549 8.0549 8.0809 8.0809 8.3289 8.3289 8.3466 8.3466 8.5970 8.5970 10.4706 10.4706 10.5302 10.5302 11.0551 11.0551 k = 0.0173 0.0301 0.0000 ( 4971 PWs) bands (ev): -5.3419 -5.3419 -5.2709 -5.2709 -5.2287 -5.2287 -5.1966 -5.1966 -4.8516 -4.8516 -4.8288 -4.8288 -4.7515 -4.7515 -4.7230 -4.7230 -4.6917 -4.6917 -4.6743 -4.6743 0.4669 0.4669 4.5175 4.5175 6.6218 6.6218 7.0265 7.0265 7.2230 7.2230 7.2406 7.2406 7.9345 7.9345 8.0542 8.0542 8.0837 8.0837 8.3318 8.3318 8.3493 8.3493 8.6160 8.6160 10.4685 10.4685 10.5234 10.5234 11.0464 11.0464 k = 0.0259 0.0452 0.0000 ( 4951 PWs) bands (ev): -5.3407 -5.3407 -5.2705 -5.2705 -5.2286 -5.2286 -5.1965 -5.1965 -4.8512 -4.8512 -4.8288 -4.8288 -4.7514 -4.7514 -4.7231 -4.7231 -4.6922 -4.6922 -4.6754 -4.6754 0.4751 0.4751 4.4892 4.4892 6.6300 6.6300 7.0615 7.0615 7.2124 7.2124 7.2304 7.2304 7.9108 7.9108 8.0554 8.0554 8.0884 8.0884 8.3367 8.3367 8.3536 8.3536 8.6455 8.6455 10.4650 10.4650 10.5122 10.5122 11.0316 11.0316 k = 0.0345 0.0602 0.0000 ( 4951 PWs) bands (ev): -5.3392 -5.3392 -5.2700 -5.2700 -5.2283 -5.2283 -5.1966 -5.1966 -4.8505 -4.8505 -4.8290 -4.8290 -4.7513 -4.7513 -4.7233 -4.7233 -4.6931 -4.6931 -4.6769 -4.6769 0.4865 0.4865 4.4511 4.4511 6.6414 6.6414 7.1092 7.1092 7.1977 7.1977 7.2162 7.2162 7.8792 7.8792 8.0594 8.0594 8.0951 8.0951 8.3432 8.3432 8.3592 8.3592 8.6830 8.6830 10.4602 10.4602 10.4964 10.4964 11.0107 11.0107 k = 0.0431 0.0753 0.0000 ( 4943 PWs) bands (ev): -5.3373 -5.3373 -5.2692 -5.2692 -5.2280 -5.2280 -5.1967 -5.1967 -4.8497 -4.8497 -4.8292 -4.8292 -4.7513 -4.7513 -4.7235 -4.7235 -4.6942 -4.6942 -4.6787 -4.6787 0.5012 0.5012 4.4041 4.4041 6.6561 6.6561 7.1683 7.1683 7.1792 7.1792 7.1983 7.1983 7.8418 7.8418 8.0664 8.0664 8.1038 8.1038 8.3512 8.3512 8.3660 8.3660 8.7262 8.7262 10.4540 10.4540 10.4763 10.4763 10.9844 10.9844 k = 0.0518 0.0903 0.0000 ( 4935 PWs) bands (ev): -5.3350 -5.3350 -5.2684 -5.2684 -5.2276 -5.2276 -5.1967 -5.1967 -4.8487 -4.8487 -4.8294 -4.8294 -4.7511 -4.7511 -4.7238 -4.7238 -4.6956 -4.6956 -4.6811 -4.6811 0.5192 0.5192 4.3495 4.3495 6.6738 6.6738 7.1569 7.1569 7.1768 7.1768 7.2380 7.2380 7.8007 7.8007 8.0761 8.0761 8.1146 8.1146 8.3605 8.3605 8.3738 8.3738 8.7733 8.7733 10.4467 10.4467 10.4519 10.4519 10.9534 10.9534 k = 0.0604 0.1054 0.0000 ( 4935 PWs) bands (ev): -5.3324 -5.3324 -5.2675 -5.2675 -5.2272 -5.2272 -5.1969 -5.1969 -4.8475 -4.8475 -4.8297 -4.8297 -4.7510 -4.7510 -4.7241 -4.7241 -4.6973 -4.6973 -4.6839 -4.6839 0.5404 0.5404 4.2886 4.2886 6.6947 6.6947 7.1313 7.1313 7.1521 7.1521 7.3165 7.3165 7.7573 7.7573 8.0882 8.0882 8.1274 8.1274 8.3708 8.3708 8.3825 8.3825 8.8228 8.8228 10.4230 10.4230 10.4384 10.4384 10.9186 10.9186 k = 0.0690 0.1205 0.0000 ( 4935 PWs) bands (ev): -5.3294 -5.3294 -5.2665 -5.2665 -5.2267 -5.2267 -5.1970 -5.1970 -4.8461 -4.8461 -4.8300 -4.8300 -4.7508 -4.7508 -4.7244 -4.7244 -4.6992 -4.6992 -4.6871 -4.6871 0.5649 0.5649 4.2225 4.2225 6.7185 6.7185 7.1027 7.1027 7.1244 7.1244 7.4030 7.4030 7.7129 7.7129 8.1024 8.1024 8.1423 8.1423 8.3819 8.3819 8.3922 8.3922 8.8736 8.8736 10.3901 10.3901 10.4291 10.4291 10.8807 10.8807 k = 0.0777 0.1355 0.0000 ( 4927 PWs) bands (ev): -5.3261 -5.3261 -5.2653 -5.2653 -5.2261 -5.2261 -5.1971 -5.1971 -4.8446 -4.8446 -4.8303 -4.8303 -4.7506 -4.7506 -4.7248 -4.7248 -4.7013 -4.7013 -4.6907 -4.6907 0.5926 0.5926 4.1523 4.1523 6.7453 6.7453 7.0714 7.0714 7.0939 7.0939 7.4962 7.4962 7.6682 7.6682 8.1185 8.1185 8.1592 8.1592 8.3938 8.3938 8.4027 8.4027 8.9247 8.9247 10.3532 10.3532 10.4190 10.4190 10.8405 10.8405 k = 0.0863 0.1506 0.0000 ( 4939 PWs) bands (ev): -5.3225 -5.3225 -5.2642 -5.2642 -5.2255 -5.2255 -5.1973 -5.1973 -4.8429 -4.8429 -4.8305 -4.8305 -4.7504 -4.7504 -4.7253 -4.7253 -4.7037 -4.7037 -4.6949 -4.6949 0.6235 0.6235 4.0788 4.0788 6.7749 6.7749 7.0376 7.0376 7.0608 7.0608 7.5952 7.5952 7.6238 7.6238 8.1362 8.1362 8.1778 8.1778 8.4064 8.4064 8.4142 8.4142 8.9753 8.9753 10.3125 10.3125 10.4083 10.4083 10.7987 10.7987 k = 0.0949 0.1656 0.0000 ( 4931 PWs) bands (ev): -5.3187 -5.3187 -5.2629 -5.2629 -5.2249 -5.2249 -5.1975 -5.1975 -4.8410 -4.8410 -4.8307 -4.8307 -4.7502 -4.7502 -4.7257 -4.7257 -4.7063 -4.7063 -4.6991 -4.6991 0.6576 0.6576 4.0029 4.0029 6.8071 6.8071 7.0018 7.0018 7.0256 7.0256 7.5803 7.5803 7.6993 7.6993 8.1551 8.1551 8.1980 8.1980 8.4198 8.4198 8.4267 8.4267 9.0249 9.0249 10.2681 10.2681 10.3973 10.3973 10.7558 10.7558 k = 0.1036 0.1807 0.0000 ( 4931 PWs) bands (ev): -5.3147 -5.3147 -5.2615 -5.2615 -5.2242 -5.2242 -5.1977 -5.1977 -4.8389 -4.8389 -4.8308 -4.8308 -4.7500 -4.7500 -4.7262 -4.7262 -4.7091 -4.7091 -4.7037 -4.7037 0.6949 0.6949 3.9253 3.9253 6.8416 6.8416 6.9645 6.9645 6.9884 6.9884 7.5379 7.5379 7.8077 7.8077 8.1750 8.1750 8.2195 8.2195 8.4340 8.4340 8.4406 8.4406 9.0726 9.0726 10.2203 10.2203 10.3863 10.3863 10.7123 10.7123 k = 0.1122 0.1957 0.0000 ( 4935 PWs) bands (ev): -5.3105 -5.3105 -5.2601 -5.2601 -5.2235 -5.2235 -5.1979 -5.1979 -4.8367 -4.8367 -4.8309 -4.8309 -4.7498 -4.7498 -4.7268 -4.7268 -4.7121 -4.7121 -4.7086 -4.7086 0.7355 0.7355 3.8465 3.8465 6.8760 6.8760 6.9281 6.9281 6.9494 6.9494 7.4970 7.4970 7.9198 7.9198 8.1952 8.1952 8.2417 8.2417 8.4495 8.4495 8.4561 8.4561 9.1179 9.1179 10.1691 10.1691 10.3757 10.3757 10.6687 10.6687 k = 0.1208 0.2108 0.0000 ( 4947 PWs) bands (ev): -5.3062 -5.3062 -5.2588 -5.2588 -5.2229 -5.2229 -5.1982 -5.1982 -4.8343 -4.8343 -4.8308 -4.8308 -4.7495 -4.7495 -4.7275 -4.7275 -4.7152 -4.7152 -4.7137 -4.7137 0.7792 0.7792 3.7670 3.7670 6.8759 6.8759 6.9090 6.9090 6.9272 6.9272 7.4578 7.4578 8.0350 8.0350 8.2152 8.2152 8.2639 8.2639 8.4666 8.4666 8.4736 8.4736 9.1602 9.1602 10.1150 10.1150 10.3657 10.3657 10.6253 10.6253 k = 0.1294 0.2259 0.0000 ( 4931 PWs) bands (ev): -5.3016 -5.3016 -5.2574 -5.2574 -5.2222 -5.2222 -5.1983 -5.1983 -4.8317 -4.8317 -4.8305 -4.8305 -4.7493 -4.7493 -4.7282 -4.7282 -4.7191 -4.7191 -4.7183 -4.7183 0.8260 0.8260 3.6873 3.6873 6.8371 6.8371 6.8673 6.8673 6.9660 6.9660 7.4205 7.4205 8.1529 8.1529 8.2344 8.2344 8.2854 8.2854 8.4862 8.4862 8.4938 8.4938 9.1990 9.1990 10.0580 10.0580 10.3569 10.3569 10.5825 10.5825 k = 0.1381 0.2409 0.0000 ( 4923 PWs) bands (ev): -5.2971 -5.2971 -5.2559 -5.2559 -5.2214 -5.2214 -5.1986 -5.1986 -4.8300 -4.8300 -4.8289 -4.8289 -4.7490 -4.7490 -4.7290 -4.7290 -4.7246 -4.7246 -4.7216 -4.7216 0.8760 0.8760 3.6077 3.6077 6.7947 6.7947 6.8245 6.8245 7.0096 7.0096 7.3853 7.3853 8.2521 8.2521 8.2730 8.2730 8.3053 8.3053 8.5090 8.5090 8.5172 8.5172 9.2335 9.2335 9.9984 9.9984 10.3495 10.3495 10.5407 10.5407 k = 0.1467 0.2560 0.0000 ( 4931 PWs) bands (ev): -5.2925 -5.2925 -5.2546 -5.2546 -5.2207 -5.2207 -5.1989 -5.1989 -4.8294 -4.8294 -4.8260 -4.8260 -4.7488 -4.7488 -4.7306 -4.7306 -4.7299 -4.7299 -4.7249 -4.7249 0.9291 0.9291 3.5285 3.5285 6.7510 6.7510 6.7809 6.7809 7.0556 7.0556 7.3522 7.3522 8.2677 8.2677 8.3226 8.3226 8.3952 8.3952 8.5356 8.5356 8.5441 8.5441 9.2633 9.2633 9.9365 9.9365 10.3438 10.3438 10.5002 10.5002 k = 0.1553 0.2710 0.0000 ( 4927 PWs) bands (ev): -5.2880 -5.2880 -5.2533 -5.2533 -5.2200 -5.2200 -5.1993 -5.1993 -4.8285 -4.8285 -4.8229 -4.8229 -4.7486 -4.7486 -4.7363 -4.7363 -4.7317 -4.7317 -4.7276 -4.7276 0.9854 0.9854 3.4501 3.4501 6.7067 6.7067 6.7366 6.7366 7.1033 7.1033 7.3215 7.3215 8.2808 8.2808 8.3370 8.3370 8.5188 8.5188 8.5666 8.5666 8.5750 8.5750 9.2880 9.2880 9.8726 9.8726 10.3399 10.3399 10.4617 10.4617 k = 0.1640 0.2861 0.0000 ( 4931 PWs) bands (ev): -5.2836 -5.2836 -5.2522 -5.2522 -5.2194 -5.2194 -5.1996 -5.1996 -4.8273 -4.8273 -4.8198 -4.8198 -4.7485 -4.7485 -4.7423 -4.7423 -4.7344 -4.7344 -4.7292 -4.7292 1.0447 1.0447 3.3725 3.3725 6.6619 6.6619 6.6918 6.6918 7.1524 7.1524 7.2932 7.2932 8.2912 8.2912 8.3480 8.3480 8.6018 8.6018 8.6099 8.6099 8.6442 8.6442 9.3070 9.3070 9.8068 9.8068 10.3370 10.3370 10.4262 10.4262 k = 0.1726 0.3012 0.0000 ( 4931 PWs) bands (ev): -5.2793 -5.2793 -5.2511 -5.2511 -5.2187 -5.2187 -5.1999 -5.1999 -4.8259 -4.8259 -4.8164 -4.8164 -4.7485 -4.7485 -4.7483 -4.7483 -4.7379 -4.7379 -4.7303 -4.7303 1.1070 1.1070 3.2960 3.2960 6.6169 6.6169 6.6468 6.6468 7.2025 7.2025 7.2674 7.2674 8.2990 8.2990 8.3559 8.3559 8.6416 8.6416 8.6487 8.6487 8.7704 8.7704 9.3203 9.3203 9.7394 9.7394 10.3324 10.3324 10.3971 10.3971 k = 0.1812 0.3162 0.0000 ( 4931 PWs) bands (ev): -5.2752 -5.2752 -5.2502 -5.2502 -5.2181 -5.2181 -5.2003 -5.2003 -4.8241 -4.8241 -4.8129 -4.8129 -4.7543 -4.7543 -4.7486 -4.7486 -4.7414 -4.7414 -4.7311 -4.7311 1.1725 1.1725 3.2208 3.2208 6.5719 6.5719 6.6015 6.6015 7.2442 7.2442 7.2535 7.2535 8.3043 8.3043 8.3608 8.3608 8.6852 8.6852 8.6912 8.6912 8.8976 8.8976 9.3278 9.3278 9.6707 9.6707 10.3190 10.3190 10.3813 10.3813 k = 0.1899 0.3313 0.0000 ( 4927 PWs) bands (ev): -5.2711 -5.2711 -5.2494 -5.2494 -5.2175 -5.2175 -5.2007 -5.2007 -4.8220 -4.8220 -4.8092 -4.8092 -4.7604 -4.7604 -4.7494 -4.7494 -4.7445 -4.7445 -4.7318 -4.7318 1.2409 1.2409 3.1469 3.1469 6.5270 6.5270 6.5562 6.5562 7.2236 7.2236 7.3047 7.3047 8.3072 8.3072 8.3630 8.3630 8.7325 8.7325 8.7371 8.7371 9.0255 9.0255 9.3296 9.3296 9.6010 9.6010 10.2950 10.2950 10.3807 10.3807 k = 0.1985 0.3463 0.0000 ( 4935 PWs) bands (ev): -5.2675 -5.2675 -5.2489 -5.2489 -5.2170 -5.2170 -5.2010 -5.2010 -4.8196 -4.8196 -4.8056 -4.8056 -4.7663 -4.7663 -4.7518 -4.7518 -4.7461 -4.7461 -4.7325 -4.7325 1.3123 1.3123 3.0746 3.0746 6.4823 6.4823 6.5111 6.5111 7.2057 7.2057 7.3559 7.3559 8.3078 8.3078 8.3627 8.3627 8.7829 8.7829 8.7863 8.7863 9.1541 9.1541 9.3259 9.3259 9.5305 9.5305 10.2670 10.2670 10.3885 10.3885 k = 0.2071 0.3614 0.0000 ( 4935 PWs) bands (ev): -5.2641 -5.2641 -5.2485 -5.2485 -5.2165 -5.2165 -5.2014 -5.2014 -4.8168 -4.8168 -4.8017 -4.8017 -4.7721 -4.7721 -4.7554 -4.7554 -4.7466 -4.7466 -4.7330 -4.7330 1.3867 1.3867 3.0039 3.0039 6.4380 6.4380 6.4662 6.4662 7.1905 7.1905 7.4065 7.4065 8.3065 8.3065 8.3603 8.3603 8.8363 8.8363 8.8383 8.8383 9.2830 9.2830 9.3173 9.3173 9.4596 9.4596 10.2388 10.2388 10.4003 10.4003 k = 0.2157 0.3764 0.0000 ( 4939 PWs) bands (ev): -5.2612 -5.2612 -5.2482 -5.2482 -5.2161 -5.2161 -5.2018 -5.2018 -4.8138 -4.8138 -4.7978 -4.7978 -4.7775 -4.7775 -4.7594 -4.7594 -4.7469 -4.7469 -4.7335 -4.7335 1.4640 1.4640 2.9349 2.9349 6.3943 6.3943 6.4216 6.4216 7.1780 7.1780 7.4560 7.4560 8.3033 8.3033 8.3558 8.3558 8.8922 8.8922 8.8932 8.8932 9.3043 9.3043 9.3880 9.3880 9.4126 9.4126 10.2118 10.2118 10.4145 10.4145 k = 0.2244 0.3915 0.0000 ( 4940 PWs) bands (ev): -5.2587 -5.2587 -5.2482 -5.2482 -5.2158 -5.2158 -5.2022 -5.2022 -4.8103 -4.8103 -4.7940 -4.7940 -4.7829 -4.7829 -4.7634 -4.7634 -4.7471 -4.7471 -4.7339 -4.7339 1.5443 1.5443 2.8677 2.8677 6.3511 6.3511 6.3776 6.3776 7.1684 7.1684 7.5038 7.5038 8.2985 8.2985 8.3494 8.3494 8.9497 8.9497 8.9513 8.9513 9.2875 9.2875 9.3174 9.3174 9.5416 9.5416 10.1865 10.1865 10.4299 10.4299 k = 0.2330 0.4066 0.0000 ( 4940 PWs) bands (ev): -5.2567 -5.2567 -5.2483 -5.2483 -5.2156 -5.2156 -5.2025 -5.2025 -4.8065 -4.8065 -4.7902 -4.7902 -4.7880 -4.7880 -4.7672 -4.7672 -4.7473 -4.7473 -4.7343 -4.7343 1.6274 1.6274 2.8023 2.8023 6.3087 6.3087 6.3341 6.3341 7.1615 7.1615 7.5493 7.5493 8.2920 8.2920 8.3412 8.3412 9.0090 9.0090 9.0121 9.0121 9.2469 9.2469 9.2674 9.2674 9.6709 9.6709 10.1632 10.1632 10.4456 10.4456 k = 0.2416 0.4216 0.0000 ( 4952 PWs) bands (ev): -5.2554 -5.2554 -5.2482 -5.2482 -5.2155 -5.2155 -5.2029 -5.2029 -4.8027 -4.8027 -4.7927 -4.7927 -4.7868 -4.7868 -4.7705 -4.7705 -4.7476 -4.7476 -4.7346 -4.7346 1.7134 1.7134 2.7389 2.7389 6.2671 6.2671 6.2914 6.2914 7.1574 7.1574 7.5915 7.5915 8.2840 8.2840 8.3313 8.3313 9.0701 9.0701 9.0748 9.0748 9.1774 9.1774 9.2447 9.2447 9.8000 9.8000 10.1419 10.1419 10.4608 10.4608 k = 0.2503 0.4367 0.0000 ( 4928 PWs) bands (ev): -5.2550 -5.2550 -5.2479 -5.2479 -5.2153 -5.2153 -5.2030 -5.2030 -4.8005 -4.8005 -4.7949 -4.7949 -4.7847 -4.7847 -4.7724 -4.7724 -4.7478 -4.7478 -4.7346 -4.7346 1.8021 1.8021 2.6773 2.6773 6.2263 6.2263 6.2494 6.2494 7.1560 7.1560 7.6298 7.6298 8.2747 8.2747 8.3199 8.3199 9.1087 9.1087 9.1327 9.1327 9.1400 9.1400 9.2201 9.2201 9.9286 9.9286 10.1229 10.1229 10.4077 10.4077 k = 0.2589 0.4517 0.0000 ( 4928 PWs) bands (ev): -5.2557 -5.2557 -5.2473 -5.2473 -5.2154 -5.2154 -5.2032 -5.2032 -4.8032 -4.8032 -4.7917 -4.7917 -4.7854 -4.7854 -4.7716 -4.7716 -4.7482 -4.7482 -4.7347 -4.7347 1.8937 1.8937 2.6178 2.6178 6.1866 6.1866 6.2083 6.2083 7.1574 7.1574 7.6630 7.6630 8.2641 8.2641 8.3070 8.3070 9.0427 9.0427 9.1870 9.1870 9.2037 9.2037 9.2061 9.2061 10.0560 10.0560 10.1062 10.1062 10.2987 10.2987 k = 0.2675 0.4668 0.0000 ( 4924 PWs) bands (ev): -5.2570 -5.2570 -5.2466 -5.2466 -5.2156 -5.2156 -5.2034 -5.2034 -4.8068 -4.8068 -4.7882 -4.7882 -4.7866 -4.7866 -4.7686 -4.7686 -4.7487 -4.7487 -4.7348 -4.7348 1.9880 1.9880 2.5603 2.5603 6.1479 6.1479 6.1681 6.1681 7.1615 7.1615 7.6902 7.6902 8.2524 8.2524 8.2927 8.2927 8.9790 8.9790 9.1647 9.1647 9.2641 9.2641 9.2736 9.2736 10.0919 10.0919 10.1644 10.1644 10.2104 10.2104 k = 0.2762 0.4818 0.0000 ( 4912 PWs) bands (ev): -5.2589 -5.2589 -5.2461 -5.2461 -5.2158 -5.2158 -5.2034 -5.2034 -4.8103 -4.8103 -4.7916 -4.7916 -4.7814 -4.7814 -4.7646 -4.7646 -4.7491 -4.7491 -4.7347 -4.7347 2.0849 2.0849 2.5049 2.5049 6.1104 6.1104 6.1290 6.1290 7.1682 7.1682 7.7101 7.7101 8.2395 8.2395 8.2772 8.2772 8.9184 8.9184 9.1367 9.1367 9.3304 9.3304 9.3423 9.3423 10.0800 10.0800 10.0820 10.0820 10.3142 10.3142 k = 0.2848 0.4969 0.0000 ( 4912 PWs) bands (ev): -5.2612 -5.2612 -5.2457 -5.2457 -5.2162 -5.2162 -5.2035 -5.2035 -4.8135 -4.8135 -4.7953 -4.7953 -4.7757 -4.7757 -4.7604 -4.7604 -4.7497 -4.7497 -4.7346 -4.7346 2.1845 2.1845 2.4516 2.4516 6.0740 6.0740 6.0910 6.0910 7.1775 7.1775 7.7215 7.7215 8.2257 8.2257 8.2606 8.2606 8.8617 8.8617 9.1084 9.1084 9.3973 9.3973 9.4117 9.4117 9.9814 9.9814 10.0705 10.0705 10.4351 10.4351 k = 0.2934 0.5120 0.0000 ( 4912 PWs) bands (ev): -5.2640 -5.2640 -5.2455 -5.2455 -5.2167 -5.2167 -5.2036 -5.2036 -4.8165 -4.8165 -4.7991 -4.7991 -4.7698 -4.7698 -4.7562 -4.7562 -4.7503 -4.7503 -4.7344 -4.7344 2.2866 2.2866 2.4005 2.4005 6.0389 6.0389 6.0541 6.0541 7.1893 7.1893 7.7233 7.7233 8.2110 8.2110 8.2429 8.2429 8.8096 8.8096 9.0801 9.0801 9.4645 9.4645 9.4810 9.4810 9.8834 9.8834 10.0635 10.0635 10.5049 10.5049 k = 0.3020 0.5270 0.0000 ( 4912 PWs) bands (ev): -5.2671 -5.2671 -5.2456 -5.2456 -5.2172 -5.2172 -5.2036 -5.2036 -4.8190 -4.8190 -4.8029 -4.8029 -4.7637 -4.7637 -4.7519 -4.7519 -4.7510 -4.7510 -4.7342 -4.7342 2.3496 2.3496 2.3931 2.3931 6.0050 6.0050 6.0184 6.0184 7.2035 7.2035 7.7143 7.7143 8.1955 8.1955 8.2244 8.2244 8.7628 8.7628 9.0523 9.0523 9.5312 9.5312 9.5489 9.5489 9.7896 9.7896 10.0591 10.0591 10.4990 10.5518 k = 0.3107 0.5421 0.0000 ( 4908 PWs) bands (ev): -5.2706 -5.2706 -5.2459 -5.2459 -5.2178 -5.2178 -5.2036 -5.2036 -4.8213 -4.8213 -4.8065 -4.8065 -4.7575 -4.7575 -4.7516 -4.7516 -4.7476 -4.7476 -4.7339 -4.7339 2.3035 2.3035 2.4995 2.4995 5.9725 5.9725 5.9840 5.9840 7.2199 7.2199 7.6939 7.6939 8.1794 8.1794 8.2051 8.2051 8.7216 8.7216 9.0253 9.0253 9.5967 9.5967 9.6080 9.6080 9.7068 9.7068 10.0572 10.0572 10.4880 10.4890 k = 0.3193 0.5571 0.0000 ( 4908 PWs) bands (ev): -5.2743 -5.2743 -5.2463 -5.2463 -5.2185 -5.2185 -5.2037 -5.2037 -4.8232 -4.8232 -4.8101 -4.8101 -4.7523 -4.7523 -4.7512 -4.7512 -4.7435 -4.7435 -4.7336 -4.7336 2.2586 2.2586 2.6092 2.6092 5.9413 5.9413 5.9509 5.9509 7.2385 7.2385 7.6617 7.6617 8.1627 8.1627 8.1852 8.1852 8.6860 8.6860 8.9995 8.9995 9.5878 9.5878 9.6603 9.6603 9.7047 9.7047 10.0579 10.0579 10.4782 10.4782 k = 0.3279 0.5722 0.0000 ( 4916 PWs) bands (ev): -5.2782 -5.2782 -5.2470 -5.2470 -5.2192 -5.2192 -5.2037 -5.2037 -4.8248 -4.8248 -4.8136 -4.8136 -4.7530 -4.7530 -4.7449 -4.7449 -4.7394 -4.7394 -4.7332 -4.7332 2.2158 2.2158 2.7214 2.7214 5.9115 5.9115 5.9191 5.9191 7.2591 7.2591 7.6177 7.6177 8.1457 8.1457 8.1649 8.1649 8.6557 8.6557 8.9752 8.9752 9.5085 9.5085 9.7205 9.7205 9.7619 9.7619 10.0612 10.0612 10.4434 10.4434 k = 0.3366 0.5872 0.0000 ( 4920 PWs) bands (ev): -5.2823 -5.2823 -5.2478 -5.2478 -5.2199 -5.2199 -5.2037 -5.2037 -4.8261 -4.8261 -4.8169 -4.8169 -4.7537 -4.7537 -4.7387 -4.7387 -4.7358 -4.7358 -4.7323 -4.7323 2.1751 2.1751 2.8360 2.8360 5.8831 5.8831 5.8888 5.8888 7.2815 7.2815 7.5625 7.5625 8.1284 8.1284 8.1442 8.1442 8.6300 8.6300 8.9526 8.9526 9.4270 9.4270 9.7760 9.7760 9.8195 9.8195 10.0672 10.0672 10.4153 10.4153 k = 0.3452 0.6023 0.0000 ( 4920 PWs) bands (ev): -5.2865 -5.2865 -5.2488 -5.2488 -5.2207 -5.2207 -5.2037 -5.2037 -4.8270 -4.8270 -4.8202 -4.8202 -4.7543 -4.7543 -4.7339 -4.7339 -4.7324 -4.7324 -4.7299 -4.7299 2.1366 2.1366 2.9528 2.9528 5.8561 5.8561 5.8599 5.8599 7.3054 7.3054 7.4969 7.4969 8.1110 8.1110 8.1234 8.1234 8.6083 8.6083 8.9321 8.9321 9.3478 9.3478 9.8247 9.8247 9.8702 9.8702 10.0757 10.0757 10.3971 10.3971 k = 0.3538 0.6174 0.0000 ( 4908 PWs) bands (ev): -5.2908 -5.2908 -5.2498 -5.2498 -5.2214 -5.2214 -5.2037 -5.2037 -4.8277 -4.8277 -4.8232 -4.8232 -4.7550 -4.7550 -4.7330 -4.7330 -4.7264 -4.7264 -4.7262 -4.7262 2.1001 2.1001 3.0718 3.0718 5.8307 5.8307 5.8324 5.8324 7.3307 7.3307 7.4217 7.4217 8.0936 8.0936 8.1026 8.1026 8.5896 8.5896 8.9141 8.9141 9.2717 9.2717 9.8648 9.8648 9.9100 9.9100 10.0867 10.0867 10.3509 10.3509 k = 0.3625 0.6324 0.0000 ( 4908 PWs) bands (ev): -5.2950 -5.2950 -5.2510 -5.2510 -5.2222 -5.2222 -5.2036 -5.2036 -4.8281 -4.8281 -4.8262 -4.8262 -4.7556 -4.7556 -4.7326 -4.7326 -4.7226 -4.7226 -4.7204 -4.7204 2.0658 2.0658 3.1930 3.1930 5.8063 5.8063 5.8067 5.8067 7.3380 7.3380 7.3572 7.3572 8.0763 8.0763 8.0819 8.0819 8.5732 8.5732 8.8987 8.8987 9.1989 9.1989 9.8946 9.8946 9.9357 9.9357 10.0998 10.0998 10.3076 10.3076 k = 0.3711 0.6475 0.0000 ( 4908 PWs) bands (ev): -5.2994 -5.2994 -5.2522 -5.2522 -5.2230 -5.2230 -5.2036 -5.2036 -4.8289 -4.8289 -4.8284 -4.8284 -4.7562 -4.7562 -4.7322 -4.7322 -4.7190 -4.7190 -4.7145 -4.7145 2.0336 2.0336 3.3162 3.3162 5.7819 5.7819 5.7841 5.7841 7.2467 7.2467 7.3843 7.3843 8.0592 8.0592 8.0616 8.0616 8.5586 8.5586 8.8863 8.8863 9.1297 9.1297 9.9135 9.9135 9.9469 9.9469 10.1146 10.1146 10.2599 10.2599 k = 0.3797 0.6625 0.0000 ( 4908 PWs) bands (ev): -5.3037 -5.3037 -5.2535 -5.2535 -5.2238 -5.2238 -5.2036 -5.2036 -4.8316 -4.8316 -4.8285 -4.8285 -4.7568 -4.7568 -4.7319 -4.7319 -4.7155 -4.7155 -4.7089 -4.7089 2.0035 2.0035 3.4413 3.4413 5.7589 5.7589 5.7630 5.7630 7.1486 7.1486 7.4120 7.4120 8.0417 8.0417 8.0426 8.0426 8.5453 8.5453 8.8772 8.8772 9.0640 9.0640 9.9222 9.9222 9.9457 9.9457 10.1294 10.1294 10.2097 10.2097 k = 0.3883 0.6776 0.0000 ( 4908 PWs) bands (ev): -5.3079 -5.3079 -5.2548 -5.2548 -5.2245 -5.2245 -5.2036 -5.2036 -4.8341 -4.8341 -4.8284 -4.8284 -4.7573 -4.7573 -4.7316 -4.7316 -4.7121 -4.7121 -4.7035 -4.7035 1.9755 1.9755 3.5682 3.5682 5.7375 5.7375 5.7435 5.7435 7.0445 7.0445 7.4397 7.4397 8.0224 8.0224 8.0265 8.0265 8.5331 8.5331 8.8717 8.8717 9.0020 9.0020 9.9224 9.9224 9.9359 9.9359 10.1282 10.1282 10.1736 10.1736 k = 0.3970 0.6927 0.0000 ( 4920 PWs) bands (ev): -5.3120 -5.3120 -5.2561 -5.2561 -5.2253 -5.2253 -5.2036 -5.2036 -4.8364 -4.8364 -4.8283 -4.8283 -4.7579 -4.7579 -4.7314 -4.7314 -4.7090 -4.7090 -4.6984 -4.6984 1.9496 1.9496 3.6969 3.6969 5.7176 5.7176 5.7254 5.7254 6.9350 6.9350 7.4673 7.4673 8.0039 8.0039 8.0111 8.0111 8.5219 8.5219 8.8701 8.8701 8.9437 8.9437 9.9164 9.9164 9.9209 9.9209 10.0798 10.0798 10.1837 10.1837 k = 0.4056 0.7077 0.0000 ( 4936 PWs) bands (ev): -5.3160 -5.3160 -5.2572 -5.2572 -5.2260 -5.2260 -5.2038 -5.2038 -4.8385 -4.8385 -4.8282 -4.8282 -4.7585 -4.7585 -4.7311 -4.7311 -4.7063 -4.7063 -4.6934 -4.6934 1.9259 1.9259 3.8271 3.8271 5.6993 5.6993 5.7088 5.7088 6.8208 6.8208 7.4941 7.4941 7.9863 7.9863 7.9964 7.9964 8.5118 8.5118 8.8726 8.8726 8.8890 8.8890 9.9032 9.9032 9.9062 9.9062 10.0183 10.0183 10.2063 10.2063 k = 0.4142 0.7228 0.0000 ( 4936 PWs) bands (ev): -5.3197 -5.3197 -5.2583 -5.2583 -5.2266 -5.2266 -5.2038 -5.2038 -4.8404 -4.8404 -4.8279 -4.8279 -4.7589 -4.7589 -4.7309 -4.7309 -4.7036 -4.7036 -4.6889 -4.6889 1.9042 1.9042 3.9587 3.9587 5.6826 5.6826 5.6936 5.6936 6.7024 6.7024 7.5200 7.5200 7.9698 7.9698 7.9826 7.9826 8.5029 8.5029 8.8379 8.8379 8.8796 8.8796 9.8846 9.8846 9.8936 9.8936 9.9532 9.9532 10.2327 10.2327 k = 0.4142 0.7228 0.0000 ( 4936 PWs) bands (ev): -5.3197 -5.3197 -5.2583 -5.2583 -5.2266 -5.2266 -5.2038 -5.2038 -4.8404 -4.8404 -4.8279 -4.8279 -4.7589 -4.7589 -4.7309 -4.7309 -4.7036 -4.7036 -4.6889 -4.6889 1.9042 1.9042 3.9587 3.9587 5.6826 5.6826 5.6936 5.6936 6.7024 6.7024 7.5200 7.5200 7.9698 7.9698 7.9826 7.9826 8.5029 8.5029 8.8379 8.8379 8.8796 8.8796 9.8846 9.8846 9.8936 9.8936 9.9532 9.9532 10.2327 10.2327 k = 0.4100 0.7154 0.0148 ( 4930 PWs) bands (ev): -5.3179 -5.3179 -5.2578 -5.2578 -5.2263 -5.2263 -5.2038 -5.2038 -4.8395 -4.8395 -4.8280 -4.8280 -4.7587 -4.7587 -4.7310 -4.7310 -4.7049 -4.7049 -4.6910 -4.6910 1.9134 1.9134 3.8947 3.8947 5.6905 5.6905 5.7017 5.7017 6.7602 6.7602 7.5057 7.5057 7.9794 7.9794 7.9920 7.9920 8.5075 8.5075 8.8609 8.8609 8.8736 8.8736 9.8873 9.8873 9.8945 9.8945 9.9923 9.9923 10.2181 10.2181 k = 0.4058 0.7081 0.0296 ( 4923 PWs) bands (ev): -5.3161 -5.3161 -5.2572 -5.2572 -5.2260 -5.2260 -5.2037 -5.2037 -4.8385 -4.8385 -4.8281 -4.8281 -4.7584 -4.7584 -4.7311 -4.7311 -4.7061 -4.7061 -4.6933 -4.6933 1.9209 1.9209 3.8316 3.8316 5.6955 5.6955 5.7149 5.7149 6.8164 6.8164 7.4875 7.4875 7.9884 7.9884 8.0113 8.0113 8.5132 8.5132 8.8645 8.8645 8.8815 8.8815 9.8752 9.8752 9.8944 9.8944 10.0364 10.0364 10.2003 10.2003 k = 0.4016 0.7007 0.0443 ( 4926 PWs) bands (ev): -5.3142 -5.3142 -5.2567 -5.2567 -5.2256 -5.2256 -5.2037 -5.2037 -4.8375 -4.8375 -4.8283 -4.8283 -4.7581 -4.7581 -4.7312 -4.7312 -4.7075 -4.7075 -4.6957 -4.6957 1.9268 1.9268 3.7696 3.7696 5.6966 5.6966 5.7348 5.7348 6.8706 6.8706 7.4665 7.4665 7.9953 7.9953 8.0405 8.0405 8.5202 8.5202 8.8528 8.8528 8.8990 8.8990 9.8488 9.8488 9.8978 9.8978 10.0790 10.0790 10.1802 10.1802 k = 0.3974 0.6934 0.0591 ( 4930 PWs) bands (ev): -5.3123 -5.3123 -5.2562 -5.2562 -5.2253 -5.2253 -5.2037 -5.2037 -4.8365 -4.8365 -4.8284 -4.8284 -4.7579 -4.7579 -4.7313 -4.7313 -4.7090 -4.7090 -4.6981 -4.6981 1.9312 1.9312 3.7088 3.7088 5.6950 5.6950 5.7602 5.7602 6.9221 6.9221 7.4447 7.4447 8.0011 8.0011 8.0766 8.0766 8.5284 8.5284 8.8387 8.8387 8.9131 8.9131 9.8113 9.8113 9.9040 9.9040 10.1094 10.1094 10.1680 10.1680 k = 0.3932 0.6860 0.0739 ( 4930 PWs) bands (ev): -5.3103 -5.3103 -5.2556 -5.2556 -5.2249 -5.2249 -5.2036 -5.2036 -4.8355 -4.8355 -4.8285 -4.8285 -4.7575 -4.7575 -4.7315 -4.7315 -4.7105 -4.7105 -4.7006 -4.7006 1.9342 1.9342 3.6490 3.6490 5.6914 5.6914 5.7908 5.7908 6.9698 6.9698 7.4246 7.4246 8.0063 8.0063 8.1170 8.1170 8.5377 8.5377 8.8230 8.8230 8.9233 8.9233 9.7651 9.7651 9.9127 9.9127 10.1029 10.1029 10.1890 10.1890 k = 0.3890 0.6787 0.0887 ( 4929 PWs) bands (ev): -5.3084 -5.3084 -5.2551 -5.2551 -5.2245 -5.2245 -5.2036 -5.2036 -4.8344 -4.8344 -4.8286 -4.8286 -4.7572 -4.7572 -4.7316 -4.7316 -4.7120 -4.7120 -4.7032 -4.7032 1.9359 1.9359 3.5905 3.5905 5.6862 5.6862 5.8264 5.8264 7.0112 7.0112 7.4098 7.4098 8.0108 8.0108 8.1598 8.1598 8.5481 8.5481 8.8062 8.8062 8.9293 8.9293 9.7124 9.7124 9.9233 9.9233 10.0774 10.0774 10.2260 10.2260 k = 0.3848 0.6713 0.1034 ( 4924 PWs) bands (ev): -5.3063 -5.3063 -5.2545 -5.2545 -5.2241 -5.2241 -5.2036 -5.2036 -4.8332 -4.8332 -4.8286 -4.8286 -4.7568 -4.7568 -4.7317 -4.7317 -4.7136 -4.7136 -4.7058 -4.7058 1.9365 1.9365 3.5333 3.5333 5.6799 5.6799 5.8666 5.8666 7.0428 7.0428 7.4047 7.4047 8.0147 8.0147 8.2030 8.2030 8.5589 8.5589 8.7893 8.7893 8.9311 8.9311 9.6550 9.6550 9.9354 9.9354 10.0481 10.0481 10.2643 10.2643 k = 0.3805 0.6640 0.1182 ( 4922 PWs) bands (ev): -5.3043 -5.3043 -5.2540 -5.2540 -5.2236 -5.2236 -5.2036 -5.2036 -4.8321 -4.8321 -4.8286 -4.8286 -4.7564 -4.7564 -4.7318 -4.7318 -4.7153 -4.7153 -4.7085 -4.7085 1.9362 1.9362 3.4773 3.4773 5.6728 5.6728 5.9114 5.9114 7.0609 7.0609 7.4135 7.4135 8.0179 8.0179 8.2451 8.2451 8.5697 8.5697 8.7732 8.7732 8.9289 8.9289 9.5946 9.5946 9.9480 9.9480 10.0179 10.0179 10.3018 10.3018 k = 0.3763 0.6566 0.1330 ( 4922 PWs) bands (ev): -5.3023 -5.3023 -5.2535 -5.2535 -5.2232 -5.2232 -5.2036 -5.2036 -4.8309 -4.8309 -4.8286 -4.8286 -4.7560 -4.7560 -4.7320 -4.7320 -4.7169 -4.7169 -4.7113 -4.7113 1.9351 1.9351 3.4227 3.4227 5.6653 5.6653 5.9605 5.9605 7.0642 7.0642 7.4381 7.4381 8.0205 8.0205 8.2850 8.2850 8.5793 8.5793 8.7590 8.7590 8.9229 8.9229 9.5325 9.5325 9.9578 9.9578 9.9900 9.9900 10.3385 10.3385 k = 0.3721 0.6493 0.1478 ( 4922 PWs) bands (ev): -5.3002 -5.3002 -5.2530 -5.2530 -5.2227 -5.2227 -5.2035 -5.2035 -4.8298 -4.8298 -4.8284 -4.8284 -4.7555 -4.7555 -4.7322 -4.7322 -4.7186 -4.7186 -4.7141 -4.7141 1.9335 1.9335 3.3694 3.3694 5.6577 5.6577 6.0137 6.0137 7.0548 7.0548 7.4766 7.4766 8.0223 8.0223 8.3217 8.3217 8.5863 8.5863 8.7482 8.7482 8.9138 8.9138 9.4695 9.4695 9.9447 9.9447 9.9837 9.9837 10.3750 10.3750 k = 0.3679 0.6419 0.1625 ( 4920 PWs) bands (ev): -5.2981 -5.2981 -5.2524 -5.2524 -5.2223 -5.2223 -5.2035 -5.2035 -4.8291 -4.8291 -4.8278 -4.8278 -4.7551 -4.7551 -4.7324 -4.7324 -4.7204 -4.7204 -4.7170 -4.7170 1.9314 1.9314 3.3175 3.3175 5.6501 5.6501 6.0707 6.0707 7.0366 7.0366 7.5252 7.5252 8.0234 8.0234 8.3546 8.3546 8.5892 8.5892 8.7419 8.7419 8.9026 8.9026 9.4064 9.4064 9.9131 9.9131 9.9934 9.9934 10.4120 10.4120 k = 0.3637 0.6346 0.1773 ( 4922 PWs) bands (ev): -5.2960 -5.2960 -5.2519 -5.2519 -5.2218 -5.2218 -5.2036 -5.2036 -4.8287 -4.8287 -4.8267 -4.8267 -4.7546 -4.7546 -4.7326 -4.7326 -4.7222 -4.7222 -4.7199 -4.7199 1.9292 1.9292 3.2670 3.2670 5.6429 5.6429 6.1314 6.1314 7.0129 7.0129 7.5807 7.5807 8.0238 8.0238 8.3831 8.3831 8.5874 8.5874 8.7401 8.7401 8.8904 8.8904 9.3439 9.3439 9.8782 9.8782 10.0031 10.0031 10.4503 10.4503 k = 0.3595 0.6272 0.1921 ( 4929 PWs) bands (ev): -5.2939 -5.2939 -5.2515 -5.2515 -5.2213 -5.2213 -5.2036 -5.2036 -4.8285 -4.8285 -4.8255 -4.8255 -4.7541 -4.7541 -4.7329 -4.7329 -4.7241 -4.7241 -4.7228 -4.7228 1.9270 1.9270 3.2179 3.2179 5.6361 5.6361 6.1954 6.1954 6.9859 6.9859 7.6405 7.6405 8.0235 8.0235 8.4071 8.4071 8.5813 8.5813 8.7412 8.7412 8.8791 8.8791 9.2822 9.2822 9.8414 9.8414 10.0102 10.0102 10.4905 10.4905 k = 0.3553 0.6199 0.2069 ( 4929 PWs) bands (ev): -5.2918 -5.2918 -5.2511 -5.2511 -5.2208 -5.2208 -5.2037 -5.2037 -4.8283 -4.8283 -4.8241 -4.8241 -4.7537 -4.7537 -4.7331 -4.7331 -4.7261 -4.7261 -4.7255 -4.7255 1.9250 1.9250 3.1703 3.1703 5.6300 5.6300 6.2625 6.2625 6.9571 6.9571 7.7030 7.7030 8.0225 8.0225 8.4262 8.4262 8.5726 8.5726 8.7421 8.7421 8.8710 8.8710 9.2218 9.2218 9.8029 9.8029 10.0137 10.0137 10.5330 10.5330 k = 0.3511 0.6126 0.2217 ( 4918 PWs) bands (ev): -5.2897 -5.2897 -5.2506 -5.2506 -5.2202 -5.2202 -5.2037 -5.2037 -4.8279 -4.8279 -4.8227 -4.8227 -4.7531 -4.7531 -4.7335 -4.7335 -4.7288 -4.7288 -4.7275 -4.7275 1.9234 1.9234 3.1241 3.1241 5.6248 5.6248 6.3324 6.3324 6.9272 6.9272 7.7673 7.7673 8.0209 8.0209 8.4402 8.4402 8.5630 8.5630 8.7396 8.7396 8.8686 8.8686 9.1628 9.1628 9.7629 9.7629 10.0130 10.0130 10.5779 10.5779 k = 0.3469 0.6052 0.2364 ( 4916 PWs) bands (ev): -5.2876 -5.2876 -5.2502 -5.2502 -5.2197 -5.2197 -5.2038 -5.2038 -4.8276 -4.8276 -4.8212 -4.8212 -4.7526 -4.7526 -4.7340 -4.7340 -4.7317 -4.7317 -4.7293 -4.7293 1.9222 1.9222 3.0793 3.0793 5.6205 5.6205 6.4049 6.4049 6.8966 6.8966 7.8322 7.8322 8.0186 8.0186 8.4488 8.4488 8.5537 8.5537 8.7317 8.7317 8.8736 8.8736 9.1055 9.1055 9.7213 9.7213 10.0075 10.0075 10.6253 10.6253 k = 0.3426 0.5979 0.2512 ( 4918 PWs) bands (ev): -5.2856 -5.2856 -5.2498 -5.2498 -5.2192 -5.2192 -5.2039 -5.2039 -4.8272 -4.8272 -4.8197 -4.8197 -4.7521 -4.7521 -4.7355 -4.7355 -4.7339 -4.7339 -4.7309 -4.7309 1.9218 1.9218 3.0358 3.0358 5.6172 5.6172 6.4797 6.4797 6.8657 6.8657 7.8971 7.8971 8.0160 8.0160 8.4522 8.4522 8.5457 8.5457 8.7189 8.7189 8.8855 8.8855 9.0500 9.0500 9.6783 9.6783 9.9972 9.9972 10.6747 10.6747 k = 0.3384 0.5905 0.2660 ( 4913 PWs) bands (ev): -5.2835 -5.2835 -5.2494 -5.2494 -5.2187 -5.2187 -5.2039 -5.2039 -4.8267 -4.8267 -4.8182 -4.8182 -4.7515 -4.7515 -4.7382 -4.7382 -4.7352 -4.7352 -4.7322 -4.7322 1.9222 1.9222 2.9938 2.9938 5.6151 5.6151 6.5566 6.5566 6.8344 6.8344 7.9601 7.9601 8.0143 8.0143 8.4510 8.4510 8.5390 8.5390 8.7028 8.7028 8.9027 8.9027 8.9964 8.9964 9.6339 9.6339 9.9820 9.9820 10.7257 10.7257 k = 0.3342 0.5832 0.2808 ( 4908 PWs) bands (ev): -5.2815 -5.2815 -5.2490 -5.2490 -5.2181 -5.2181 -5.2040 -5.2040 -4.8262 -4.8262 -4.8166 -4.8166 -4.7510 -4.7510 -4.7411 -4.7411 -4.7367 -4.7367 -4.7330 -4.7330 1.9236 1.9236 2.9531 2.9531 5.6142 5.6142 6.6350 6.6350 6.8029 6.8029 7.9995 7.9995 8.0348 8.0348 8.4463 8.4463 8.5333 8.5333 8.6850 8.6850 8.9233 8.9233 8.9456 8.9456 9.5882 9.5882 9.9622 9.9622 10.7777 10.7777 k = 0.3300 0.5758 0.2955 ( 4910 PWs) bands (ev): -5.2795 -5.2795 -5.2487 -5.2487 -5.2176 -5.2176 -5.2042 -5.2042 -4.8256 -4.8256 -4.8150 -4.8150 -4.7506 -4.7506 -4.7441 -4.7441 -4.7384 -4.7384 -4.7336 -4.7336 1.9261 1.9261 2.9137 2.9137 5.6147 5.6147 6.7136 6.7136 6.7721 6.7721 7.9991 7.9991 8.0931 8.0931 8.4397 8.4397 8.5280 8.5280 8.6666 8.6666 8.8941 8.8941 8.9496 8.9496 9.5415 9.5415 9.9380 9.9380 10.8300 10.8300 k = 0.3258 0.5685 0.3103 ( 4914 PWs) bands (ev): -5.2775 -5.2775 -5.2485 -5.2485 -5.2171 -5.2171 -5.2044 -5.2044 -4.8249 -4.8249 -4.8134 -4.8134 -4.7503 -4.7503 -4.7470 -4.7470 -4.7404 -4.7404 -4.7341 -4.7341 1.9299 1.9299 2.8756 2.8756 5.6167 5.6167 6.7344 6.7344 6.7997 6.7997 7.9945 7.9945 8.1531 8.1531 8.4322 8.4322 8.5226 8.5226 8.6484 8.6484 8.8465 8.8465 8.9765 8.9765 9.4940 9.4940 9.9098 9.9098 10.8819 10.8819 k = 0.3216 0.5611 0.3251 ( 4916 PWs) bands (ev): -5.2756 -5.2756 -5.2482 -5.2482 -5.2165 -5.2165 -5.2046 -5.2046 -4.8242 -4.8242 -4.8117 -4.8117 -4.7512 -4.7512 -4.7487 -4.7487 -4.7423 -4.7423 -4.7345 -4.7345 1.9350 1.9350 2.8386 2.8386 5.6201 5.6201 6.7018 6.7018 6.8807 6.8807 7.9891 7.9891 8.2110 8.2110 8.4249 8.4249 8.5172 8.5172 8.6312 8.6312 8.8005 8.8005 9.0056 9.0056 9.4458 9.4458 9.8781 9.8781 10.9326 10.9326 k = 0.3174 0.5538 0.3399 ( 4917 PWs) bands (ev): -5.2736 -5.2736 -5.2480 -5.2480 -5.2160 -5.2160 -5.2047 -5.2047 -4.8233 -4.8233 -4.8100 -4.8100 -4.7539 -4.7539 -4.7487 -4.7487 -4.7442 -4.7442 -4.7349 -4.7349 1.9415 1.9415 2.8028 2.8028 5.6251 5.6251 6.6671 6.6671 6.9635 6.9635 7.9831 7.9831 8.2655 8.2655 8.4189 8.4189 8.5115 8.5115 8.6155 8.6155 8.7564 8.7564 9.0362 9.0362 9.3971 9.3971 9.8434 9.8434 10.9814 10.9814 k = 0.3132 0.5464 0.3546 ( 4923 PWs) bands (ev): -5.2718 -5.2718 -5.2479 -5.2479 -5.2156 -5.2156 -5.2049 -5.2049 -4.8224 -4.8224 -4.8083 -4.8083 -4.7568 -4.7568 -4.7486 -4.7486 -4.7460 -4.7460 -4.7353 -4.7353 1.9495 1.9495 2.7679 2.7679 5.6318 5.6318 6.6310 6.6310 7.0467 7.0467 7.9769 7.9769 8.3148 8.3148 8.4156 8.4156 8.5058 8.5058 8.6019 8.6019 8.7139 8.7139 9.0678 9.0678 9.3482 9.3482 9.8063 9.8063 11.0277 11.0277 k = 0.3090 0.5391 0.3694 ( 4923 PWs) bands (ev): -5.2700 -5.2700 -5.2478 -5.2478 -5.2151 -5.2151 -5.2051 -5.2051 -4.8214 -4.8214 -4.8066 -4.8066 -4.7598 -4.7598 -4.7494 -4.7494 -4.7468 -4.7468 -4.7357 -4.7357 1.9591 1.9591 2.7340 2.7340 5.6403 5.6403 6.5936 6.5936 7.1299 7.1299 7.9706 7.9706 8.3542 8.3542 8.4197 8.4197 8.5003 8.5003 8.5909 8.5909 8.6732 8.6732 9.1001 9.1001 9.2993 9.2993 9.7673 9.7673 11.0708 11.0708 k = 0.3047 0.5317 0.3842 ( 4927 PWs) bands (ev): -5.2682 -5.2682 -5.2477 -5.2477 -5.2146 -5.2146 -5.2054 -5.2054 -4.8203 -4.8203 -4.8048 -4.8048 -4.7628 -4.7628 -4.7511 -4.7511 -4.7468 -4.7468 -4.7361 -4.7361 1.9704 1.9704 2.7009 2.7009 5.6506 5.6506 6.5546 6.5546 7.2128 7.2128 7.9644 7.9644 8.3742 8.3742 8.4396 8.4396 8.4959 8.4959 8.5828 8.5828 8.6341 8.6341 9.1324 9.1324 9.2507 9.2507 9.7271 9.7271 11.1104 11.1104 k = 0.3005 0.5244 0.3990 ( 4929 PWs) bands (ev): -5.2665 -5.2665 -5.2477 -5.2477 -5.2141 -5.2141 -5.2056 -5.2056 -4.8191 -4.8191 -4.8030 -4.8030 -4.7658 -4.7658 -4.7531 -4.7531 -4.7464 -4.7464 -4.7365 -4.7365 1.9835 1.9835 2.6685 2.6685 5.6627 5.6627 6.5142 6.5142 7.2948 7.2948 7.9582 7.9582 8.3790 8.3790 8.4679 8.4679 8.4959 8.4959 8.5771 8.5771 8.5969 8.5969 9.1643 9.1643 9.2027 9.2027 9.6864 9.6864 11.1464 11.1464 k = 0.2963 0.5170 0.4138 ( 4925 PWs) bands (ev): -5.2649 -5.2649 -5.2477 -5.2477 -5.2136 -5.2136 -5.2058 -5.2058 -4.8178 -4.8178 -4.8012 -4.8012 -4.7687 -4.7687 -4.7552 -4.7552 -4.7459 -4.7459 -4.7369 -4.7369 1.9983 1.9983 2.6367 2.6367 5.6769 5.6769 6.4723 6.4723 7.3757 7.3757 7.9524 7.9524 8.3792 8.3792 8.4799 8.4799 8.5146 8.5146 8.5584 8.5584 8.5769 8.5769 9.1549 9.1549 9.1956 9.1956 9.6458 9.6458 11.1789 11.1789 k = 0.2921 0.5097 0.4285 ( 4927 PWs) bands (ev): -5.2633 -5.2633 -5.2477 -5.2477 -5.2132 -5.2132 -5.2061 -5.2061 -4.8165 -4.8165 -4.7993 -4.7993 -4.7716 -4.7716 -4.7573 -4.7573 -4.7455 -4.7455 -4.7373 -4.7373 2.0149 2.0149 2.6054 2.6054 5.6931 5.6931 6.4290 6.4290 7.4549 7.4549 7.9471 7.9471 8.3781 8.3781 8.4817 8.4817 8.5237 8.5237 8.5432 8.5432 8.5764 8.5764 9.1085 9.1085 9.2251 9.2251 9.6060 9.6060 11.2085 11.2085 k = 0.2879 0.5023 0.4433 ( 4929 PWs) bands (ev): -5.2618 -5.2618 -5.2479 -5.2479 -5.2127 -5.2127 -5.2064 -5.2064 -4.8150 -4.8150 -4.7975 -4.7975 -4.7744 -4.7744 -4.7595 -4.7595 -4.7450 -4.7450 -4.7377 -4.7377 2.0333 2.0333 2.5743 2.5743 5.7113 5.7113 6.3846 6.3846 7.5318 7.5318 7.9422 7.9422 8.3765 8.3765 8.4838 8.4838 8.4908 8.4908 8.5685 8.5685 8.5791 8.5791 9.0631 9.0631 9.2528 9.2528 9.5677 9.5677 11.2359 11.2359 k = 0.2837 0.4950 0.4581 ( 4929 PWs) bands (ev): -5.2604 -5.2604 -5.2480 -5.2480 -5.2123 -5.2123 -5.2067 -5.2067 -4.8135 -4.8135 -4.7956 -4.7956 -4.7771 -4.7771 -4.7616 -4.7616 -4.7446 -4.7446 -4.7381 -4.7381 2.0536 2.0536 2.5434 2.5434 5.7318 5.7318 6.3391 6.3391 7.6058 7.6058 7.9382 7.9382 8.3744 8.3744 8.4570 8.4570 8.4908 8.4908 8.5806 8.5806 8.5928 8.5928 9.0190 9.0190 9.2779 9.2779 9.5318 9.5318 11.2622 11.2622 k = 0.2795 0.4876 0.4729 ( 4933 PWs) bands (ev): -5.2591 -5.2591 -5.2483 -5.2483 -5.2119 -5.2119 -5.2070 -5.2070 -4.8119 -4.8119 -4.7938 -4.7938 -4.7798 -4.7798 -4.7638 -4.7638 -4.7442 -4.7442 -4.7385 -4.7385 2.0758 2.0758 2.5125 2.5125 5.7545 5.7545 6.2929 6.2929 7.6763 7.6763 7.9349 7.9349 8.3718 8.3718 8.4259 8.4259 8.4996 8.4996 8.5860 8.5860 8.6103 8.6103 8.9764 8.9764 9.3002 9.3002 9.4989 9.4989 11.2882 11.2882 k = 0.2753 0.4803 0.4876 ( 4928 PWs) bands (ev): -5.2578 -5.2578 -5.2486 -5.2486 -5.2114 -5.2114 -5.2073 -5.2073 -4.8101 -4.8101 -4.7921 -4.7921 -4.7821 -4.7821 -4.7659 -4.7659 -4.7438 -4.7438 -4.7388 -4.7388 2.0998 2.0998 2.4814 2.4814 5.7794 5.7794 6.2462 6.2462 7.7421 7.7421 7.9326 7.9326 8.3687 8.3687 8.3966 8.3966 8.5112 8.5112 8.5920 8.5920 8.6243 8.6243 8.9355 8.9355 9.3191 9.3191 9.4698 9.4698 11.3149 11.3149 k = 0.2711 0.4729 0.5024 ( 4932 PWs) bands (ev): -5.2566 -5.2566 -5.2489 -5.2489 -5.2110 -5.2110 -5.2076 -5.2076 -4.8084 -4.8084 -4.7908 -4.7908 -4.7841 -4.7841 -4.7680 -4.7680 -4.7434 -4.7434 -4.7392 -4.7392 2.1258 2.1258 2.4501 2.4501 5.8066 5.8066 6.1995 6.1995 7.8020 7.8020 7.9314 7.9314 8.3645 8.3645 8.3703 8.3703 8.5248 8.5248 8.5983 8.5983 8.6355 8.6355 8.8963 8.8963 9.3343 9.3343 9.4452 9.4452 11.3430 11.3430 k = 0.2668 0.4656 0.5172 ( 4926 PWs) bands (ev): -5.2554 -5.2554 -5.2493 -5.2493 -5.2106 -5.2106 -5.2079 -5.2079 -4.8065 -4.8065 -4.7906 -4.7906 -4.7848 -4.7848 -4.7701 -4.7701 -4.7429 -4.7429 -4.7397 -4.7397 2.1536 2.1536 2.4182 2.4182 5.8362 5.8362 6.1531 6.1531 7.8544 7.8544 7.9313 7.9313 8.3463 8.3463 8.3609 8.3609 8.5391 8.5391 8.6038 8.6038 8.6459 8.6459 8.8589 8.8589 9.3459 9.3459 9.4254 9.4254 11.3730 11.3730 k = 0.2626 0.4582 0.5320 ( 4930 PWs) bands (ev): -5.2544 -5.2544 -5.2498 -5.2498 -5.2103 -5.2103 -5.2082 -5.2082 -4.8045 -4.8045 -4.7919 -4.7919 -4.7839 -4.7839 -4.7723 -4.7723 -4.7425 -4.7425 -4.7401 -4.7401 2.1832 2.1832 2.3857 2.3857 5.8682 5.8682 6.1074 6.1074 7.8969 7.8969 7.9325 7.9325 8.3288 8.3288 8.3551 8.3551 8.5531 8.5531 8.6065 8.6065 8.6586 8.6586 8.8234 8.8234 9.3545 9.3545 9.4101 9.4101 11.4051 11.4051 k = 0.2584 0.4509 0.5467 ( 4930 PWs) bands (ev): -5.2534 -5.2534 -5.2504 -5.2504 -5.2099 -5.2099 -5.2085 -5.2085 -4.8024 -4.8024 -4.7940 -4.7940 -4.7823 -4.7823 -4.7744 -4.7744 -4.7421 -4.7421 -4.7405 -4.7405 2.2147 2.2147 2.3525 2.3525 5.9025 5.9025 6.0627 6.0627 7.9270 7.9270 7.9351 7.9351 8.3189 8.3189 8.3478 8.3478 8.5659 8.5659 8.6049 8.6049 8.6762 8.6762 8.7897 8.7897 9.3613 9.3613 9.3983 9.3983 11.4394 11.4394 k = 0.2542 0.4436 0.5615 ( 4930 PWs) bands (ev): -5.2525 -5.2525 -5.2511 -5.2511 -5.2096 -5.2096 -5.2089 -5.2089 -4.8003 -4.8003 -4.7961 -4.7961 -4.7804 -4.7804 -4.7765 -4.7765 -4.7417 -4.7417 -4.7409 -4.7409 2.2479 2.2479 2.3182 2.3182 5.9392 5.9392 6.0196 6.0196 7.9388 7.9388 7.9429 7.9429 8.3184 8.3184 8.3385 8.3385 8.5776 8.5776 8.5988 8.5988 8.6992 8.6992 8.7578 8.7578 9.3685 9.3685 9.3881 9.3881 11.4757 11.4757 k = 0.2500 0.4362 0.5763 ( 4928 PWs) bands (ev): -5.2518 -5.2518 -5.2517 -5.2517 -5.2092 -5.2092 -5.2092 -5.2092 -4.7983 -4.7983 -4.7981 -4.7981 -4.7786 -4.7786 -4.7784 -4.7784 -4.7413 -4.7413 -4.7413 -4.7413 2.2829 2.2829 2.2829 2.2829 5.9780 5.9780 5.9785 5.9785 7.9437 7.9437 7.9442 7.9442 8.3266 8.3266 8.3275 8.3275 8.5887 8.5887 8.5893 8.5893 8.7267 8.7267 8.7276 8.7276 9.3776 9.3776 9.3780 9.3780 11.5136 11.5139 k = 0.2500 0.4362 0.5763 ( 4928 PWs) bands (ev): -5.2518 -5.2518 -5.2517 -5.2517 -5.2092 -5.2092 -5.2092 -5.2092 -4.7983 -4.7983 -4.7981 -4.7981 -4.7786 -4.7786 -4.7784 -4.7784 -4.7413 -4.7413 -4.7413 -4.7413 2.2829 2.2829 2.2829 2.2829 5.9780 5.9780 5.9785 5.9785 7.9437 7.9437 7.9442 7.9442 8.3266 8.3266 8.3275 8.3275 8.5887 8.5887 8.5893 8.5893 8.7267 8.7267 8.7276 8.7276 9.3776 9.3776 9.3780 9.3780 11.5136 11.5140 k = 0.2396 0.4422 0.5643 ( 4930 PWs) bands (ev): -5.2518 -5.2518 -5.2517 -5.2517 -5.2092 -5.2092 -5.2092 -5.2092 -4.7983 -4.7983 -4.7981 -4.7981 -4.7786 -4.7786 -4.7784 -4.7784 -4.7413 -4.7413 -4.7413 -4.7413 2.2826 2.2826 2.2827 2.2827 5.9790 5.9790 5.9801 5.9801 7.9398 7.9398 7.9406 7.9406 8.3286 8.3286 8.3300 8.3300 8.5883 8.5883 8.5891 8.5891 8.7282 8.7282 8.7291 8.7291 9.3776 9.3776 9.3782 9.3782 11.5103 11.5116 k = 0.2292 0.4481 0.5523 ( 4928 PWs) bands (ev): -5.2517 -5.2517 -5.2517 -5.2517 -5.2092 -5.2092 -5.2092 -5.2092 -4.7983 -4.7983 -4.7981 -4.7981 -4.7786 -4.7786 -4.7784 -4.7784 -4.7413 -4.7413 -4.7413 -4.7413 2.2818 2.2818 2.2821 2.2821 5.9823 5.9823 5.9843 5.9843 7.9285 7.9285 7.9299 7.9299 8.3345 8.3345 8.3370 8.3370 8.5874 8.5874 8.5885 8.5885 8.7326 8.7326 8.7335 8.7335 9.3777 9.3777 9.3788 9.3788 11.5025 11.5035 k = 0.2188 0.4541 0.5403 ( 4928 PWs) bands (ev): -5.2517 -5.2517 -5.2517 -5.2517 -5.2092 -5.2092 -5.2092 -5.2092 -4.7982 -4.7982 -4.7981 -4.7981 -4.7786 -4.7786 -4.7784 -4.7784 -4.7413 -4.7413 -4.7413 -4.7413 2.2806 2.2806 2.2809 2.2809 5.9880 5.9880 5.9911 5.9911 7.9107 7.9107 7.9128 7.9128 8.3436 8.3436 8.3471 8.3471 8.5865 8.5865 8.5880 8.5880 8.7397 8.7397 8.7405 8.7405 9.3780 9.3780 9.3796 9.3796 11.4904 11.4904 k = 0.2083 0.4601 0.5283 ( 4932 PWs) bands (ev): -5.2517 -5.2517 -5.2517 -5.2517 -5.2093 -5.2093 -5.2092 -5.2092 -4.7983 -4.7983 -4.7981 -4.7981 -4.7786 -4.7786 -4.7784 -4.7784 -4.7414 -4.7414 -4.7413 -4.7413 2.2789 2.2789 2.2793 2.2793 5.9962 5.9962 6.0002 6.0002 7.8876 7.8876 7.8903 7.8903 8.3546 8.3546 8.3591 8.3591 8.5863 8.5863 8.5882 8.5882 8.7490 8.7490 8.7498 8.7498 9.3785 9.3785 9.3805 9.3805 11.4748 11.4750 k = 0.1979 0.4661 0.5163 ( 4934 PWs) bands (ev): -5.2518 -5.2518 -5.2517 -5.2517 -5.2093 -5.2093 -5.2092 -5.2092 -4.7983 -4.7983 -4.7981 -4.7981 -4.7786 -4.7786 -4.7784 -4.7784 -4.7414 -4.7414 -4.7413 -4.7413 2.2767 2.2767 2.2773 2.2773 6.0068 6.0068 6.0117 6.0117 7.8601 7.8601 7.8635 7.8635 8.3663 8.3663 8.3717 8.3717 8.5871 8.5871 8.5896 8.5896 8.7604 8.7604 8.7611 8.7611 9.3791 9.3791 9.3816 9.3816 11.4562 11.4564 k = 0.1875 0.4720 0.5043 ( 4926 PWs) bands (ev): -5.2517 -5.2517 -5.2517 -5.2517 -5.2092 -5.2092 -5.2092 -5.2092 -4.7982 -4.7982 -4.7980 -4.7980 -4.7786 -4.7786 -4.7784 -4.7784 -4.7413 -4.7413 -4.7413 -4.7413 2.2742 2.2742 2.2749 2.2749 6.0196 6.0196 6.0254 6.0254 7.8292 7.8292 7.8333 7.8333 8.3775 8.3775 8.3838 8.3838 8.5895 8.5895 8.5925 8.5925 8.7738 8.7738 8.7744 8.7744 9.3799 9.3799 9.3829 9.3829 11.4353 11.4353 k = 0.1771 0.4780 0.4923 ( 4926 PWs) bands (ev): -5.2517 -5.2517 -5.2517 -5.2517 -5.2092 -5.2092 -5.2092 -5.2092 -4.7982 -4.7982 -4.7980 -4.7980 -4.7786 -4.7786 -4.7784 -4.7784 -4.7413 -4.7413 -4.7412 -4.7412 2.2714 2.2714 2.2721 2.2721 6.0346 6.0346 6.0412 6.0412 7.7955 7.7955 7.8003 7.8003 8.3877 8.3877 8.3947 8.3947 8.5933 8.5933 8.5969 8.5969 8.7892 8.7892 8.7898 8.7898 9.3808 9.3808 9.3842 9.3842 11.4124 11.4127 k = 0.1667 0.4840 0.4802 ( 4932 PWs) bands (ev): -5.2517 -5.2517 -5.2517 -5.2517 -5.2092 -5.2092 -5.2092 -5.2092 -4.7982 -4.7982 -4.7980 -4.7980 -4.7786 -4.7786 -4.7785 -4.7785 -4.7413 -4.7413 -4.7413 -4.7413 2.2683 2.2683 2.2691 2.2691 6.0517 6.0517 6.0589 6.0589 7.7598 7.7598 7.7651 7.7651 8.3966 8.3966 8.4042 8.4042 8.5983 8.5983 8.6024 8.6024 8.8065 8.8065 8.8072 8.8072 9.3819 9.3819 9.3856 9.3856 11.3878 11.3878 k = 0.1562 0.4899 0.4682 ( 4934 PWs) bands (ev): -5.2517 -5.2517 -5.2517 -5.2517 -5.2092 -5.2092 -5.2092 -5.2092 -4.7982 -4.7982 -4.7980 -4.7980 -4.7787 -4.7787 -4.7785 -4.7785 -4.7413 -4.7413 -4.7412 -4.7412 2.2649 2.2649 2.2658 2.2658 6.0705 6.0705 6.0785 6.0785 7.7224 7.7224 7.7283 7.7283 8.4043 8.4043 8.4123 8.4123 8.6039 8.6039 8.6084 8.6084 8.8258 8.8258 8.8267 8.8267 9.3831 9.3831 9.3872 9.3872 11.3617 11.3622 k = 0.1458 0.4959 0.4562 ( 4930 PWs) bands (ev): -5.2517 -5.2517 -5.2517 -5.2517 -5.2092 -5.2092 -5.2092 -5.2092 -4.7982 -4.7982 -4.7980 -4.7980 -4.7787 -4.7787 -4.7785 -4.7785 -4.7413 -4.7413 -4.7412 -4.7412 2.2614 2.2614 2.2623 2.2623 6.0911 6.0911 6.0996 6.0996 7.6839 7.6839 7.6903 7.6903 8.4111 8.4111 8.4193 8.4193 8.6094 8.6094 8.6143 8.6143 8.8471 8.8471 8.8483 8.8483 9.3845 9.3845 9.3889 9.3889 11.3344 11.3345 k = 0.1354 0.5019 0.4442 ( 4930 PWs) bands (ev): -5.2517 -5.2517 -5.2517 -5.2517 -5.2092 -5.2092 -5.2092 -5.2092 -4.7982 -4.7982 -4.7980 -4.7980 -4.7787 -4.7787 -4.7785 -4.7785 -4.7413 -4.7413 -4.7412 -4.7412 2.2578 2.2578 2.2587 2.2587 6.1131 6.1131 6.1220 6.1220 7.6447 7.6447 7.6516 7.6516 8.4173 8.4173 8.4257 8.4257 8.6141 8.6141 8.6194 8.6194 8.8702 8.8702 8.8716 8.8716 9.3862 9.3862 9.3909 9.3909 11.3060 11.3060 k = 0.1250 0.5078 0.4322 ( 4930 PWs) bands (ev): -5.2517 -5.2517 -5.2517 -5.2517 -5.2092 -5.2092 -5.2092 -5.2092 -4.7982 -4.7982 -4.7980 -4.7980 -4.7787 -4.7787 -4.7785 -4.7785 -4.7413 -4.7413 -4.7412 -4.7412 2.2542 2.2542 2.2551 2.2551 6.1362 6.1362 6.1456 6.1456 7.6052 7.6052 7.6124 7.6124 8.4233 8.4233 8.4319 8.4319 8.6176 8.6176 8.6232 8.6232 8.8945 8.8945 8.8963 8.8963 9.3884 9.3884 9.3932 9.3932 11.2768 11.2768 k = 0.1146 0.5138 0.4202 ( 4930 PWs) bands (ev): -5.2517 -5.2517 -5.2516 -5.2516 -5.2092 -5.2092 -5.2092 -5.2092 -4.7981 -4.7981 -4.7979 -4.7979 -4.7787 -4.7787 -4.7785 -4.7785 -4.7413 -4.7413 -4.7412 -4.7412 2.2506 2.2506 2.2514 2.2514 6.1604 6.1604 6.1699 6.1699 7.5658 7.5658 7.5733 7.5733 8.4294 8.4294 8.4381 8.4381 8.6197 8.6197 8.6256 8.6256 8.9196 8.9196 8.9216 8.9216 9.3911 9.3911 9.3961 9.3961 11.2469 11.2470 k = 0.1042 0.5198 0.4082 ( 4924 PWs) bands (ev): -5.2516 -5.2516 -5.2516 -5.2516 -5.2092 -5.2092 -5.2092 -5.2092 -4.7981 -4.7981 -4.7979 -4.7979 -4.7786 -4.7786 -4.7785 -4.7785 -4.7413 -4.7413 -4.7412 -4.7412 2.2470 2.2470 2.2479 2.2479 6.1851 6.1851 6.1947 6.1947 7.5270 7.5270 7.5346 7.5346 8.4359 8.4359 8.4447 8.4447 8.6203 8.6203 8.6265 8.6265 8.9447 8.9447 8.9469 8.9469 9.3946 9.3946 9.3997 9.3997 11.2168 11.2174 k = 0.0938 0.5258 0.3962 ( 4924 PWs) bands (ev): -5.2516 -5.2516 -5.2516 -5.2516 -5.2092 -5.2092 -5.2092 -5.2092 -4.7981 -4.7981 -4.7979 -4.7979 -4.7787 -4.7787 -4.7785 -4.7785 -4.7413 -4.7413 -4.7412 -4.7412 2.2436 2.2436 2.2445 2.2445 6.2100 6.2100 6.2196 6.2196 7.4892 7.4892 7.4968 7.4968 8.4428 8.4428 8.4516 8.4516 8.6194 8.6194 8.6259 8.6259 8.9691 8.9691 8.9715 8.9715 9.3990 9.3990 9.4041 9.4041 11.1867 11.1870 k = 0.0833 0.5317 0.3842 ( 4926 PWs) bands (ev): -5.2516 -5.2516 -5.2516 -5.2516 -5.2092 -5.2092 -5.2092 -5.2092 -4.7980 -4.7980 -4.7979 -4.7979 -4.7787 -4.7787 -4.7786 -4.7786 -4.7413 -4.7413 -4.7412 -4.7412 2.2405 2.2405 2.2412 2.2412 6.2348 6.2348 6.2441 6.2441 7.4529 7.4529 7.4604 7.4604 8.4502 8.4502 8.4589 8.4589 8.6173 8.6173 8.6239 8.6239 8.9922 8.9922 8.9946 8.9946 9.4043 9.4043 9.4094 9.4094 11.1571 11.1572 k = 0.0729 0.5377 0.3722 ( 4920 PWs) bands (ev): -5.2516 -5.2516 -5.2516 -5.2516 -5.2092 -5.2092 -5.2092 -5.2092 -4.7980 -4.7980 -4.7978 -4.7978 -4.7786 -4.7786 -4.7785 -4.7785 -4.7412 -4.7412 -4.7412 -4.7412 2.2375 2.2375 2.2382 2.2382 6.2589 6.2589 6.2678 6.2678 7.4187 7.4187 7.4259 7.4259 8.4580 8.4580 8.4666 8.4666 8.6139 8.6139 8.6207 8.6207 9.0132 9.0132 9.0156 9.0156 9.4107 9.4107 9.4156 9.4156 11.1289 11.1301 k = 0.0625 0.5437 0.3602 ( 4926 PWs) bands (ev): -5.2516 -5.2516 -5.2516 -5.2516 -5.2092 -5.2092 -5.2092 -5.2092 -4.7980 -4.7980 -4.7978 -4.7978 -4.7787 -4.7787 -4.7786 -4.7786 -4.7413 -4.7413 -4.7412 -4.7412 2.2349 2.2349 2.2355 2.2355 6.2818 6.2818 6.2900 6.2900 7.3872 7.3872 7.3939 7.3939 8.4662 8.4662 8.4746 8.4746 8.6097 8.6097 8.6164 8.6164 9.0317 9.0317 9.0340 9.0340 9.4180 9.4180 9.4224 9.4224 11.1020 11.1021 k = 0.0521 0.5496 0.3482 ( 4930 PWs) bands (ev): -5.2516 -5.2516 -5.2516 -5.2516 -5.2092 -5.2092 -5.2092 -5.2092 -4.7980 -4.7980 -4.7979 -4.7979 -4.7787 -4.7787 -4.7786 -4.7786 -4.7413 -4.7413 -4.7412 -4.7412 2.2326 2.2326 2.2331 2.2331 6.3029 6.3029 6.3103 6.3103 7.3590 7.3590 7.3651 7.3651 8.4746 8.4746 8.4825 8.4825 8.6048 8.6048 8.6113 8.6113 9.0474 9.0474 9.0495 9.0495 9.4257 9.4257 9.4297 9.4297 11.0778 11.0779 k = 0.0417 0.5556 0.3362 ( 4926 PWs) bands (ev): -5.2516 -5.2516 -5.2516 -5.2516 -5.2092 -5.2092 -5.2092 -5.2092 -4.7979 -4.7979 -4.7978 -4.7978 -4.7787 -4.7787 -4.7786 -4.7786 -4.7412 -4.7412 -4.7412 -4.7412 2.2306 2.2306 2.2311 2.2311 6.3217 6.3217 6.3279 6.3279 7.3348 7.3348 7.3400 7.3400 8.4828 8.4828 8.4901 8.4901 8.5996 8.5996 8.6058 8.6058 9.0602 9.0602 9.0620 9.0620 9.4334 9.4334 9.4368 9.4368 11.0568 11.0571 k = 0.0312 0.5616 0.3242 ( 4922 PWs) bands (ev): -5.2516 -5.2516 -5.2515 -5.2515 -5.2092 -5.2092 -5.2092 -5.2092 -4.7979 -4.7979 -4.7978 -4.7978 -4.7786 -4.7786 -4.7786 -4.7786 -4.7412 -4.7412 -4.7412 -4.7412 2.2291 2.2291 2.2295 2.2295 6.3374 6.3374 6.3423 6.3423 7.3153 7.3153 7.3195 7.3195 8.4906 8.4906 8.4969 8.4969 8.5947 8.5947 8.6001 8.6001 9.0700 9.0700 9.0714 9.0714 9.4405 9.4405 9.4431 9.4431 11.0398 11.0398 k = 0.0208 0.5675 0.3122 ( 4924 PWs) bands (ev): -5.2515 -5.2515 -5.2515 -5.2515 -5.2092 -5.2092 -5.2092 -5.2092 -4.7979 -4.7979 -4.7978 -4.7978 -4.7787 -4.7787 -4.7786 -4.7786 -4.7412 -4.7412 -4.7412 -4.7412 2.2280 2.2280 2.2283 2.2283 6.3494 6.3494 6.3528 6.3528 7.3011 7.3011 7.3040 7.3040 8.4974 8.4974 8.5021 8.5021 8.5907 8.5907 8.5949 8.5949 9.0769 9.0769 9.0779 9.0779 9.4463 9.4463 9.4481 9.4481 11.0275 11.0283 k = 0.0104 0.5735 0.3002 ( 4934 PWs) bands (ev): -5.2516 -5.2516 -5.2516 -5.2516 -5.2093 -5.2093 -5.2093 -5.2093 -4.7979 -4.7979 -4.7979 -4.7979 -4.7787 -4.7787 -4.7787 -4.7787 -4.7413 -4.7413 -4.7413 -4.7413 2.2274 2.2274 2.2275 2.2275 6.3572 6.3572 6.3589 6.3589 7.2926 7.2926 7.2941 7.2941 8.5025 8.5025 8.5052 8.5052 8.5884 8.5884 8.5907 8.5907 9.0811 9.0811 9.0817 9.0817 9.4502 9.4502 9.4511 9.4511 11.0201 11.0209 k = 0.0000 0.5795 0.2881 ( 4928 PWs) bands (ev): -5.2515 -5.2515 -5.2515 -5.2515 -5.2093 -5.2093 -5.2093 -5.2093 -4.7979 -4.7979 -4.7978 -4.7978 -4.7787 -4.7787 -4.7786 -4.7786 -4.7413 -4.7413 -4.7413 -4.7413 2.2272 2.2272 2.2272 2.2272 6.3603 6.3603 6.3605 6.3605 7.2902 7.2902 7.2904 7.2904 8.5048 8.5048 8.5057 8.5057 8.5883 8.5883 8.5885 8.5885 9.0826 9.0826 9.0828 9.0828 9.4517 9.4517 9.4520 9.4520 11.0175 11.0176 k = 0.0000 0.5795 0.2881 ( 4928 PWs) bands (ev): -5.2515 -5.2515 -5.2515 -5.2515 -5.2093 -5.2093 -5.2093 -5.2093 -4.7979 -4.7979 -4.7978 -4.7978 -4.7787 -4.7787 -4.7786 -4.7786 -4.7413 -4.7413 -4.7413 -4.7413 2.2272 2.2272 2.2272 2.2272 6.3603 6.3603 6.3605 6.3605 7.2902 7.2902 7.2904 7.2904 8.5048 8.5048 8.5057 8.5057 8.5883 8.5883 8.5885 8.5885 9.0826 9.0826 9.0828 9.0828 9.4517 9.4517 9.4520 9.4520 11.0176 11.0179 k =-0.0134 0.5749 0.2974 ( 4933 PWs) bands (ev): -5.2526 -5.2526 -5.2506 -5.2506 -5.2098 -5.2098 -5.2087 -5.2087 -4.8007 -4.8007 -4.7950 -4.7950 -4.7813 -4.7813 -4.7760 -4.7760 -4.7419 -4.7419 -4.7406 -4.7406 2.2030 2.2030 2.2534 2.2534 6.3498 6.3498 6.3678 6.3678 7.2342 7.2342 7.3484 7.3484 8.5008 8.5008 8.5096 8.5096 8.5851 8.5851 8.5928 8.5928 9.0443 9.0443 9.1199 9.1199 9.3937 9.3937 9.5136 9.5136 11.0049 11.0049 k =-0.0267 0.5702 0.3067 ( 4933 PWs) bands (ev): -5.2538 -5.2538 -5.2498 -5.2498 -5.2103 -5.2103 -5.2082 -5.2082 -4.8034 -4.8034 -4.7919 -4.7919 -4.7839 -4.7839 -4.7733 -4.7733 -4.7425 -4.7425 -4.7400 -4.7400 2.1807 2.1807 2.2815 2.2815 6.3366 6.3366 6.3715 6.3715 7.1814 7.1814 7.4072 7.4072 8.4964 8.4964 8.5134 8.5134 8.5830 8.5830 8.5981 8.5981 9.0038 9.0038 9.1569 9.1569 9.3408 9.3408 9.5772 9.5772 10.9922 10.9922 k =-0.0401 0.5656 0.3160 ( 4926 PWs) bands (ev): -5.2551 -5.2551 -5.2490 -5.2490 -5.2109 -5.2109 -5.2077 -5.2077 -4.8059 -4.8059 -4.7890 -4.7890 -4.7862 -4.7862 -4.7707 -4.7707 -4.7431 -4.7431 -4.7394 -4.7394 2.1601 2.1601 2.3116 2.3116 6.3210 6.3210 6.3708 6.3708 7.1330 7.1330 7.4654 7.4654 8.4924 8.4924 8.5169 8.5169 8.5819 8.5819 8.6042 8.6042 8.9602 8.9602 9.1942 9.1942 9.2951 9.2951 9.6414 9.6414 10.9802 10.9802 k =-0.0535 0.5610 0.3253 ( 4922 PWs) bands (ev): -5.2565 -5.2565 -5.2484 -5.2484 -5.2115 -5.2115 -5.2073 -5.2073 -4.8083 -4.8083 -4.7892 -4.7892 -4.7852 -4.7852 -4.7679 -4.7679 -4.7438 -4.7438 -4.7389 -4.7389 2.1413 2.1413 2.3438 2.3438 6.3034 6.3034 6.3650 6.3650 7.0904 7.0904 7.5218 7.5218 8.4893 8.4893 8.5198 8.5198 8.5816 8.5816 8.6107 8.6107 8.9135 8.9135 9.2319 9.2319 9.2578 9.2578 9.7049 9.7049 10.9693 10.9693 k =-0.0668 0.5564 0.3346 ( 4924 PWs) bands (ev): -5.2581 -5.2581 -5.2479 -5.2479 -5.2121 -5.2121 -5.2069 -5.2069 -4.8105 -4.8105 -4.7917 -4.7917 -4.7819 -4.7819 -4.7652 -4.7652 -4.7445 -4.7445 -4.7383 -4.7383 2.1242 2.1242 2.3780 2.3780 6.2841 6.2841 6.3538 6.3538 7.0545 7.0545 7.5747 7.5747 8.4875 8.4875 8.5223 8.5223 8.5817 8.5817 8.6176 8.6176 8.8646 8.8646 9.2284 9.2284 9.2712 9.2712 9.7670 9.7670 10.9601 10.9601 k =-0.0802 0.5518 0.3439 ( 4924 PWs) bands (ev): -5.2597 -5.2597 -5.2475 -5.2475 -5.2127 -5.2127 -5.2065 -5.2065 -4.8126 -4.8126 -4.7941 -4.7941 -4.7785 -4.7785 -4.7625 -4.7625 -4.7452 -4.7452 -4.7378 -4.7378 2.1086 2.1086 2.4143 2.4143 6.2632 6.2632 6.3367 6.3367 7.0260 7.0260 7.6227 7.6227 8.4871 8.4871 8.5241 8.5241 8.5819 8.5819 8.6246 8.6246 8.8154 8.8154 9.2077 9.2077 9.3106 9.3106 9.8268 9.8268 10.9526 10.9526 k =-0.0935 0.5471 0.3532 ( 4928 PWs) bands (ev): -5.2615 -5.2615 -5.2472 -5.2472 -5.2133 -5.2133 -5.2061 -5.2061 -4.8146 -4.8146 -4.7965 -4.7965 -4.7749 -4.7749 -4.7599 -4.7599 -4.7458 -4.7458 -4.7372 -4.7372 2.0945 2.0945 2.4528 2.4528 6.2410 6.2410 6.3138 6.3138 7.0054 7.0054 7.6641 7.6641 8.4872 8.4872 8.5250 8.5250 8.5820 8.5820 8.6315 8.6315 8.7693 8.7693 9.1943 9.1943 9.3508 9.3508 9.8839 9.8839 10.9468 10.9469 k =-0.1069 0.5425 0.3625 ( 4922 PWs) bands (ev): -5.2634 -5.2634 -5.2470 -5.2470 -5.2139 -5.2139 -5.2057 -5.2057 -4.8164 -4.8164 -4.7989 -4.7989 -4.7713 -4.7713 -4.7572 -4.7572 -4.7465 -4.7465 -4.7367 -4.7367 2.0817 2.0817 2.4934 2.4934 6.2176 6.2176 6.2857 6.2857 6.9925 6.9925 7.6974 7.6974 8.4849 8.4849 8.5246 8.5246 8.5832 8.5832 8.6384 8.6384 8.7304 8.7304 9.1872 9.1872 9.3914 9.3914 9.9377 9.9377 10.9400 10.9401 k =-0.1203 0.5379 0.3718 ( 4921 PWs) bands (ev): -5.2654 -5.2654 -5.2469 -5.2469 -5.2145 -5.2145 -5.2054 -5.2054 -4.8181 -4.8181 -4.8013 -4.8013 -4.7676 -4.7676 -4.7545 -4.7545 -4.7471 -4.7471 -4.7362 -4.7362 2.0703 2.0703 2.5361 2.5361 6.1932 6.1932 6.2533 6.2533 6.9867 6.9867 7.7212 7.7212 8.4747 8.4747 8.5224 8.5224 8.5890 8.5890 8.6450 8.6450 8.7026 8.7026 9.1859 9.1859 9.4323 9.4323 9.9880 9.9880 10.8939 10.8939 k =-0.1336 0.5333 0.3811 ( 4922 PWs) bands (ev): -5.2675 -5.2675 -5.2469 -5.2469 -5.2151 -5.2151 -5.2051 -5.2051 -4.8197 -4.8197 -4.8036 -4.8036 -4.7638 -4.7638 -4.7519 -4.7519 -4.7477 -4.7477 -4.7358 -4.7358 2.0601 2.0601 2.5809 2.5809 6.1678 6.1678 6.2175 6.2175 6.9873 6.9873 7.7345 7.7345 8.4526 8.4526 8.5182 8.5182 8.6032 8.6032 8.6516 8.6516 8.6871 8.6871 9.1897 9.1897 9.4732 9.4732 10.0345 10.0345 10.8324 10.8324 k =-0.1470 0.5286 0.3904 ( 4918 PWs) bands (ev): -5.2696 -5.2696 -5.2470 -5.2470 -5.2157 -5.2157 -5.2049 -5.2049 -4.8211 -4.8211 -4.8059 -4.8059 -4.7600 -4.7600 -4.7497 -4.7497 -4.7479 -4.7479 -4.7353 -4.7353 2.0509 2.0509 2.6279 2.6279 6.1418 6.1418 6.1795 6.1795 6.9936 6.9936 7.7368 7.7368 8.4212 8.4212 8.5119 8.5119 8.6240 8.6240 8.6583 8.6583 8.6830 8.6830 9.1982 9.1982 9.5137 9.5137 10.0770 10.0770 10.7657 10.7657 k =-0.1604 0.5240 0.3997 ( 4919 PWs) bands (ev): -5.2719 -5.2719 -5.2472 -5.2472 -5.2164 -5.2164 -5.2046 -5.2046 -4.8223 -4.8223 -4.8081 -4.8081 -4.7562 -4.7562 -4.7494 -4.7494 -4.7462 -4.7462 -4.7349 -4.7349 2.0426 2.0426 2.6770 2.6770 6.1150 6.1150 6.1403 6.1403 7.0047 7.0047 7.7286 7.7286 8.3858 8.3858 8.5031 8.5031 8.6425 8.6425 8.6661 8.6661 8.6925 8.6925 9.2113 9.2113 9.5536 9.5536 10.1155 10.1155 10.6964 10.6964 k =-0.1737 0.5194 0.4090 ( 4919 PWs) bands (ev): -5.2742 -5.2742 -5.2474 -5.2474 -5.2170 -5.2170 -5.2044 -5.2044 -4.8234 -4.8234 -4.8103 -4.8103 -4.7525 -4.7525 -4.7498 -4.7498 -4.7437 -4.7437 -4.7344 -4.7344 2.0352 2.0352 2.7281 2.7281 6.0877 6.0877 6.1009 6.1009 7.0198 7.0198 7.7104 7.7104 8.3501 8.3501 8.4912 8.4912 8.6498 8.6498 8.6754 8.6754 8.7193 8.7193 9.2291 9.2291 9.5926 9.5926 10.1498 10.1498 10.6264 10.6264 k =-0.1871 0.5148 0.4183 ( 4918 PWs) bands (ev): -5.2766 -5.2766 -5.2477 -5.2477 -5.2176 -5.2176 -5.2042 -5.2042 -4.8245 -4.8245 -4.8125 -4.8125 -4.7509 -4.7509 -4.7480 -4.7480 -4.7412 -4.7412 -4.7339 -4.7339 2.0284 2.0284 2.7814 2.7814 6.0592 6.0592 6.0629 6.0629 7.0385 7.0385 7.6834 7.6834 8.3161 8.3161 8.4760 8.4760 8.6507 8.6507 8.6848 8.6848 8.7565 8.7565 9.2516 9.2516 9.6305 9.6305 10.1800 10.1800 10.5571 10.5571 k =-0.2004 0.5102 0.4276 ( 4922 PWs) bands (ev): -5.2791 -5.2791 -5.2481 -5.2481 -5.2183 -5.2183 -5.2041 -5.2041 -4.8253 -4.8253 -4.8146 -4.8146 -4.7514 -4.7514 -4.7443 -4.7443 -4.7388 -4.7388 -4.7335 -4.7335 2.0222 2.0222 2.8366 2.8366 6.0231 6.0231 6.0332 6.0332 7.0603 7.0603 7.6490 7.6490 8.2845 8.2845 8.4572 8.4572 8.6489 8.6489 8.6947 8.6947 8.7968 8.7968 9.2790 9.2790 9.6671 9.6671 10.2058 10.2058 10.4897 10.4897 k =-0.2138 0.5055 0.4369 ( 4924 PWs) bands (ev): -5.2816 -5.2816 -5.2485 -5.2485 -5.2189 -5.2189 -5.2040 -5.2040 -4.8261 -4.8261 -4.8166 -4.8166 -4.7520 -4.7520 -4.7405 -4.7405 -4.7366 -4.7366 -4.7328 -4.7328 2.0165 2.0165 2.8939 2.8939 5.9866 5.9866 6.0053 6.0053 7.0846 7.0846 7.6084 7.6084 8.2555 8.2555 8.4350 8.4350 8.6452 8.6452 8.7054 8.7054 8.8369 8.8369 9.3117 9.3117 9.7021 9.7021 10.2272 10.2272 10.4254 10.4254 k =-0.2272 0.5009 0.4462 ( 4918 PWs) bands (ev): -5.2841 -5.2841 -5.2490 -5.2490 -5.2195 -5.2195 -5.2039 -5.2039 -4.8267 -4.8267 -4.8186 -4.8186 -4.7526 -4.7526 -4.7367 -4.7367 -4.7348 -4.7348 -4.7316 -4.7316 2.0110 2.0110 2.9532 2.9532 5.9519 5.9519 5.9777 5.9777 7.1112 7.1112 7.5630 7.5630 8.2289 8.2289 8.4092 8.4092 8.6397 8.6397 8.7167 8.7167 8.8747 8.8747 9.3499 9.3499 9.7352 9.7352 10.2436 10.2436 10.3655 10.3655 k =-0.2405 0.4963 0.4555 ( 4916 PWs) bands (ev): -5.2867 -5.2867 -5.2495 -5.2495 -5.2201 -5.2201 -5.2038 -5.2038 -4.8272 -4.8272 -4.8205 -4.8205 -4.7532 -4.7532 -4.7341 -4.7341 -4.7325 -4.7325 -4.7298 -4.7298 2.0058 2.0058 3.0143 3.0143 5.9192 5.9192 5.9504 5.9504 7.1398 7.1398 7.5138 7.5138 8.2043 8.2043 8.3802 8.3802 8.6324 8.6324 8.7288 8.7288 8.9085 8.9085 9.3934 9.3934 9.7664 9.7664 10.2528 10.2528 10.3130 10.3130 k =-0.2539 0.4917 0.4648 ( 4920 PWs) bands (ev): -5.2893 -5.2893 -5.2501 -5.2501 -5.2207 -5.2207 -5.2037 -5.2037 -4.8277 -4.8277 -4.8224 -4.8224 -4.7538 -4.7538 -4.7335 -4.7335 -4.7289 -4.7289 -4.7277 -4.7277 2.0006 2.0006 3.0774 3.0774 5.8888 5.8888 5.9235 5.9235 7.1699 7.1699 7.4617 7.4617 8.1813 8.1813 8.3482 8.3482 8.6236 8.6236 8.7414 8.7414 8.9372 8.9372 9.4419 9.4419 9.7951 9.7951 10.2403 10.2403 10.2833 10.2833 k =-0.2673 0.4870 0.4741 ( 4922 PWs) bands (ev): -5.2920 -5.2920 -5.2507 -5.2507 -5.2213 -5.2213 -5.2037 -5.2037 -4.8281 -4.8281 -4.8242 -4.8242 -4.7543 -4.7543 -4.7331 -4.7331 -4.7255 -4.7255 -4.7250 -4.7250 1.9953 1.9953 3.1423 3.1423 5.8609 5.8609 5.8971 5.8971 7.2014 7.2014 7.4074 7.4074 8.1596 8.1596 8.3137 8.3137 8.6134 8.6134 8.7545 8.7545 8.9600 8.9600 9.4946 9.4946 9.8212 9.8212 10.2036 10.2036 10.2796 10.2796 k =-0.2806 0.4824 0.4833 ( 4925 PWs) bands (ev): -5.2947 -5.2947 -5.2513 -5.2513 -5.2218 -5.2218 -5.2036 -5.2036 -4.8284 -4.8284 -4.8259 -4.8259 -4.7549 -4.7549 -4.7327 -4.7327 -4.7232 -4.7232 -4.7214 -4.7214 1.9898 1.9898 3.2089 3.2089 5.8353 5.8353 5.8716 5.8716 7.2338 7.2338 7.3513 7.3513 8.1388 8.1388 8.2772 8.2772 8.6022 8.6022 8.7679 8.7679 8.9765 8.9765 9.5504 9.5504 9.8442 9.8442 10.1681 10.1681 10.2774 10.2774 k =-0.2940 0.4778 0.4926 ( 4923 PWs) bands (ev): -5.2973 -5.2973 -5.2520 -5.2520 -5.2224 -5.2224 -5.2036 -5.2036 -4.8287 -4.8287 -4.8275 -4.8275 -4.7554 -4.7554 -4.7325 -4.7325 -4.7209 -4.7209 -4.7177 -4.7177 1.9841 1.9841 3.2773 3.2773 5.8122 5.8122 5.8469 5.8469 7.2654 7.2654 7.2952 7.2952 8.1187 8.1187 8.2394 8.2394 8.5903 8.5903 8.7815 8.7815 8.9864 8.9864 9.6079 9.6079 9.8637 9.8637 10.1395 10.1395 10.2714 10.2714 k =-0.3073 0.4732 0.5019 ( 4920 PWs) bands (ev): -5.2999 -5.2999 -5.2527 -5.2527 -5.2229 -5.2229 -5.2036 -5.2036 -4.8296 -4.8296 -4.8283 -4.8283 -4.7558 -4.7558 -4.7322 -4.7322 -4.7187 -4.7187 -4.7142 -4.7142 1.9779 1.9779 3.3473 3.3473 5.7915 5.7915 5.8233 5.8233 7.2327 7.2327 7.3023 7.3023 8.0993 8.0993 8.2009 8.2009 8.5780 8.5780 8.7951 8.7951 8.9898 8.9898 9.6652 9.6652 9.8794 9.8794 10.1195 10.1195 10.2602 10.2602 k =-0.3207 0.4686 0.5112 ( 4924 PWs) bands (ev): -5.3026 -5.3026 -5.2534 -5.2534 -5.2234 -5.2234 -5.2036 -5.2036 -4.8310 -4.8310 -4.8285 -4.8285 -4.7563 -4.7563 -4.7320 -4.7320 -4.7166 -4.7166 -4.7107 -4.7107 1.9713 1.9713 3.4190 3.4190 5.7729 5.7729 5.8009 5.8009 7.1726 7.1726 7.3353 7.3353 8.0803 8.0803 8.1626 8.1626 8.5657 8.5657 8.8085 8.8085 8.9869 8.9869 9.7202 9.7202 9.8909 9.8909 10.1089 10.1089 10.2431 10.2431 k =-0.3341 0.4639 0.5205 ( 4922 PWs) bands (ev): -5.3051 -5.3051 -5.2541 -5.2541 -5.2239 -5.2239 -5.2036 -5.2036 -4.8325 -4.8325 -4.8286 -4.8286 -4.7568 -4.7568 -4.7318 -4.7318 -4.7145 -4.7145 -4.7073 -4.7073 1.9640 1.9640 3.4921 3.4921 5.7564 5.7564 5.7798 5.7798 7.1107 7.1107 7.3681 7.3681 8.0620 8.0620 8.1253 8.1253 8.5539 8.5539 8.8215 8.8215 8.9780 8.9780 9.7705 9.7705 9.8984 9.8984 10.1077 10.1077 10.2197 10.2197 k =-0.3474 0.4593 0.5298 ( 4918 PWs) bands (ev): -5.3077 -5.3077 -5.2548 -5.2548 -5.2244 -5.2244 -5.2036 -5.2036 -4.8340 -4.8340 -4.8285 -4.8285 -4.7572 -4.7572 -4.7316 -4.7316 -4.7124 -4.7124 -4.7039 -4.7039 1.9561 1.9561 3.5667 3.5667 5.7417 5.7417 5.7604 5.7604 7.0471 7.0471 7.3999 7.3999 8.0443 8.0443 8.0901 8.0901 8.5427 8.5427 8.8339 8.8339 8.9636 8.9636 9.8136 9.8136 9.9022 9.9022 10.1141 10.1141 10.1916 10.1916 k =-0.3608 0.4547 0.5391 ( 4918 PWs) bands (ev): -5.3102 -5.3102 -5.2555 -5.2555 -5.2249 -5.2249 -5.2036 -5.2036 -4.8354 -4.8354 -4.8284 -4.8284 -4.7576 -4.7576 -4.7314 -4.7314 -4.7105 -4.7105 -4.7007 -4.7007 1.9474 1.9474 3.6426 3.6426 5.7284 5.7284 5.7428 5.7428 6.9819 6.9819 7.4299 7.4299 8.0275 8.0275 8.0579 8.0579 8.5325 8.5325 8.8455 8.8455 8.9446 8.9446 9.8478 9.8478 9.9029 9.9029 10.1164 10.1164 10.1693 10.1693 k =-0.3742 0.4501 0.5484 ( 4918 PWs) bands (ev): -5.3127 -5.3127 -5.2562 -5.2562 -5.2254 -5.2254 -5.2037 -5.2037 -4.8367 -4.8367 -4.8283 -4.8283 -4.7579 -4.7579 -4.7313 -4.7313 -4.7086 -4.7086 -4.6975 -4.6975 1.9380 1.9380 3.7199 3.7199 5.7161 5.7161 5.7272 5.7272 6.9149 6.9149 7.4574 7.4574 8.0116 8.0116 8.0301 8.0301 8.5233 8.5233 8.8560 8.8560 8.9217 8.9217 9.8723 9.8723 9.9015 9.9015 10.0896 10.0896 10.1756 10.1756 k =-0.3875 0.4454 0.5577 ( 4922 PWs) bands (ev): -5.3151 -5.3151 -5.2569 -5.2569 -5.2258 -5.2258 -5.2037 -5.2037 -4.8380 -4.8380 -4.8282 -4.8282 -4.7583 -4.7583 -4.7311 -4.7311 -4.7068 -4.7068 -4.6945 -4.6945 1.9276 1.9276 3.7984 3.7984 5.7042 5.7042 5.7141 5.7141 6.8461 6.8461 7.4818 7.4818 7.9962 7.9962 8.0081 8.0081 8.5153 8.5153 8.8653 8.8653 8.8958 8.8958 9.8872 9.8872 9.8992 9.8992 10.0462 10.0462 10.1952 10.1952 k =-0.4009 0.4408 0.5670 ( 4934 PWs) bands (ev): -5.3175 -5.3175 -5.2576 -5.2576 -5.2262 -5.2262 -5.2038 -5.2038 -4.8392 -4.8392 -4.8281 -4.8281 -4.7586 -4.7586 -4.7310 -4.7310 -4.7052 -4.7052 -4.6916 -4.6916 1.9164 1.9164 3.8780 3.8780 5.6930 5.6930 5.7031 5.7031 6.7752 6.7752 7.5027 7.5027 7.9816 7.9816 7.9928 7.9928 8.5085 8.5085 8.8675 8.8675 8.8733 8.8733 9.8911 9.8911 9.8975 9.8975 9.9987 9.9987 10.2150 10.2150 k =-0.4142 0.4362 0.5763 ( 4936 PWs) bands (ev): -5.3197 -5.3197 -5.2583 -5.2583 -5.2266 -5.2266 -5.2038 -5.2038 -4.8404 -4.8404 -4.8279 -4.8279 -4.7589 -4.7589 -4.7309 -4.7309 -4.7036 -4.7036 -4.6889 -4.6889 1.9042 1.9042 3.9587 3.9587 5.6826 5.6826 5.6936 5.6936 6.7024 6.7024 7.5200 7.5200 7.9698 7.9698 7.9826 7.9826 8.5029 8.5029 8.8379 8.8379 8.8796 8.8796 9.8846 9.8846 9.8936 9.8936 9.9532 9.9532 10.2327 10.2327 k =-0.4142 0.4362 0.5763 ( 4936 PWs) bands (ev): -5.3197 -5.3197 -5.2583 -5.2583 -5.2266 -5.2266 -5.2038 -5.2038 -4.8404 -4.8404 -4.8279 -4.8279 -4.7589 -4.7589 -4.7309 -4.7309 -4.7036 -4.7036 -4.6889 -4.6889 1.9042 1.9042 3.9587 3.9587 5.6826 5.6826 5.6936 5.6936 6.7024 6.7024 7.5200 7.5200 7.9698 7.9698 7.9826 7.9826 8.5029 8.5029 8.8379 8.8379 8.8796 8.8796 9.8846 9.8846 9.8936 9.8936 9.9532 9.9532 10.2327 10.2327 k =-0.4228 0.4212 0.5763 ( 4936 PWs) bands (ev): -5.3232 -5.3232 -5.2594 -5.2594 -5.2273 -5.2273 -5.2038 -5.2038 -4.8421 -4.8421 -4.8275 -4.8275 -4.7594 -4.7594 -4.7307 -4.7307 -4.7011 -4.7011 -4.6848 -4.6848 1.8848 1.8848 4.0907 4.0907 5.6676 5.6676 5.6801 5.6801 6.5812 6.5812 7.5443 7.5443 7.9545 7.9545 7.9698 7.9698 8.4954 8.4954 8.7909 8.7909 8.8911 8.8911 9.8663 9.8663 9.8790 9.8790 9.8875 9.8875 10.2618 10.2618 k =-0.4314 0.4063 0.5763 ( 4928 PWs) bands (ev): -5.3263 -5.3263 -5.2605 -5.2605 -5.2278 -5.2278 -5.2038 -5.2038 -4.8437 -4.8437 -4.8271 -4.8271 -4.7597 -4.7597 -4.7305 -4.7305 -4.6988 -4.6988 -4.6810 -4.6810 1.8674 1.8674 4.2237 4.2237 5.6541 5.6541 5.6680 5.6680 6.4569 6.4569 7.5669 7.5669 7.9405 7.9405 7.9582 7.9582 8.4895 8.4895 8.7475 8.7475 8.9071 8.9071 9.8186 9.8186 9.8489 9.8489 9.8665 9.8665 10.2932 10.2932 k =-0.4400 0.3913 0.5763 ( 4920 PWs) bands (ev): -5.3291 -5.3291 -5.2614 -5.2614 -5.2283 -5.2283 -5.2038 -5.2038 -4.8451 -4.8451 -4.8266 -4.8266 -4.7600 -4.7600 -4.7303 -4.7303 -4.6967 -4.6967 -4.6777 -4.6777 1.8520 1.8520 4.3574 4.3574 5.6422 5.6422 5.6573 5.6573 6.3303 6.3303 7.5875 7.5875 7.9279 7.9279 7.9477 7.9477 8.4853 8.4853 8.7076 8.7076 8.9277 8.9277 9.7509 9.7509 9.8328 9.8328 9.8533 9.8533 10.3268 10.3268 k =-0.4485 0.3763 0.5763 ( 4920 PWs) bands (ev): -5.3316 -5.3316 -5.2622 -5.2622 -5.2288 -5.2288 -5.2038 -5.2038 -4.8463 -4.8463 -4.8263 -4.8263 -4.7603 -4.7603 -4.7301 -4.7301 -4.6949 -4.6949 -4.6747 -4.6747 1.8388 1.8388 4.4913 4.4913 5.6319 5.6319 5.6481 5.6481 6.2020 6.2020 7.6057 7.6057 7.9168 7.9168 7.9385 7.9385 8.4830 8.4830 8.6714 8.6714 8.9526 8.9526 9.6839 9.6839 9.8184 9.8184 9.8412 9.8412 10.3623 10.3623 k =-0.4571 0.3614 0.5763 ( 4932 PWs) bands (ev): -5.3338 -5.3338 -5.2630 -5.2630 -5.2292 -5.2292 -5.2038 -5.2038 -4.8474 -4.8474 -4.8259 -4.8259 -4.7605 -4.7605 -4.7301 -4.7301 -4.6934 -4.6934 -4.6723 -4.6723 1.8275 1.8275 4.6248 4.6248 5.6231 5.6231 5.6403 5.6403 6.0728 6.0728 7.6214 7.6214 7.9072 7.9072 7.9305 7.9305 8.4828 8.4828 8.6386 8.6386 8.9813 8.9813 9.6186 9.6186 9.8060 9.8060 9.8304 9.8304 10.3993 10.3994 k =-0.4657 0.3464 0.5763 ( 4944 PWs) bands (ev): -5.3357 -5.3357 -5.2636 -5.2636 -5.2296 -5.2296 -5.2039 -5.2039 -4.8482 -4.8482 -4.8257 -4.8257 -4.7608 -4.7608 -4.7300 -4.7300 -4.6923 -4.6923 -4.6702 -4.6702 1.8184 1.8184 4.7569 4.7569 5.6160 5.6160 5.6339 5.6339 5.9440 5.9440 7.6345 7.6345 7.8993 7.8993 7.9239 7.9239 8.4848 8.4848 8.6095 8.6095 9.0130 9.0130 9.5565 9.5565 9.7956 9.7956 9.8214 9.8214 10.4375 10.4375 k =-0.4743 0.3315 0.5763 ( 4928 PWs) bands (ev): -5.3370 -5.3370 -5.2640 -5.2640 -5.2298 -5.2298 -5.2039 -5.2039 -4.8488 -4.8488 -4.8254 -4.8254 -4.7610 -4.7610 -4.7299 -4.7299 -4.6912 -4.6912 -4.6685 -4.6685 1.8112 1.8112 4.8856 4.8856 5.6104 5.6104 5.6289 5.6289 5.8177 5.8177 7.6447 7.6447 7.8931 7.8931 7.9188 7.9188 8.4892 8.4892 8.5839 8.5839 9.0460 9.0460 9.4995 9.4995 9.7874 9.7874 9.8142 9.8142 10.4758 10.4758 k =-0.4828 0.3165 0.5763 ( 4920 PWs) bands (ev): -5.3381 -5.3381 -5.2642 -5.2642 -5.2299 -5.2299 -5.2039 -5.2039 -4.8491 -4.8491 -4.8252 -4.8252 -4.7611 -4.7611 -4.7297 -4.7297 -4.6905 -4.6905 -4.6674 -4.6674 1.8061 1.8061 5.0059 5.0059 5.6065 5.6065 5.6254 5.6254 5.6989 5.6989 7.6520 7.6520 7.8886 7.8886 7.9151 7.9151 8.4958 8.4958 8.5621 8.5621 9.0773 9.0773 9.4509 9.4509 9.7815 9.7815 9.8089 9.8089 10.5119 10.5119 k =-0.4914 0.3015 0.5763 ( 4912 PWs) bands (ev): -5.3387 -5.3387 -5.2644 -5.2644 -5.2300 -5.2300 -5.2039 -5.2039 -4.8494 -4.8494 -4.8251 -4.8251 -4.7612 -4.7612 -4.7297 -4.7297 -4.6901 -4.6901 -4.6666 -4.6666 1.8031 1.8031 5.1050 5.1050 5.6008 5.6008 5.6041 5.6041 5.6234 5.6234 7.6565 7.6565 7.8859 7.8859 7.9128 7.9128 8.5037 8.5037 8.5450 8.5450 9.1015 9.1015 9.4163 9.4163 9.7779 9.7779 9.8058 9.8058 10.5410 10.5410 k =-0.5000 0.2866 0.5763 ( 4904 PWs) bands (ev): -5.3389 -5.3389 -5.2645 -5.2645 -5.2300 -5.2300 -5.2039 -5.2039 -4.8495 -4.8495 -4.8250 -4.8250 -4.7611 -4.7611 -4.7296 -4.7296 -4.6899 -4.6899 -4.6663 -4.6663 1.8021 1.8021 5.1484 5.1484 5.5577 5.5577 5.6033 5.6033 5.6226 5.6226 7.6579 7.6579 7.8850 7.8850 7.9121 7.9121 8.5085 8.5085 8.5371 8.5371 9.1110 9.1110 9.4033 9.4033 9.7767 9.7767 9.8047 9.8047 10.5531 10.5531 k = 0.0000 0.0000 0.5763 ( 4936 PWs) bands (ev): -5.3408 -5.3408 -5.2689 -5.2689 -5.2289 -5.2289 -5.2002 -5.2002 -4.8510 -4.8510 -4.8267 -4.8267 -4.7566 -4.7566 -4.7265 -4.7265 -4.6905 -4.6905 -4.6699 -4.6699 1.2386 1.2386 4.6824 4.6824 4.9569 4.9569 6.2249 6.2249 7.4378 7.4378 7.5377 7.5377 7.7839 7.7839 7.9359 7.9359 8.0550 8.0550 8.1408 8.1408 8.7753 8.7753 9.0629 9.0629 10.3165 10.3165 10.4392 10.4392 10.5313 10.5313 k = 0.0086 0.0150 0.5763 ( 4936 PWs) bands (ev): -5.3405 -5.3405 -5.2688 -5.2688 -5.2289 -5.2289 -5.2002 -5.2002 -4.8509 -4.8509 -4.8267 -4.8267 -4.7565 -4.7565 -4.7265 -4.7265 -4.6906 -4.6906 -4.6702 -4.6702 1.2398 1.2398 4.6841 4.6841 4.9417 4.9417 6.2409 6.2409 7.4393 7.4393 7.5368 7.5368 7.7839 7.7839 7.9370 7.9370 8.0552 8.0552 8.1417 8.1417 8.7710 8.7710 9.0654 9.0654 10.3121 10.3121 10.4391 10.4391 10.5294 10.5294 k = 0.0172 0.0301 0.5763 ( 4924 PWs) bands (ev): -5.3399 -5.3399 -5.2686 -5.2686 -5.2287 -5.2287 -5.2002 -5.2002 -4.8506 -4.8506 -4.8268 -4.8268 -4.7565 -4.7565 -4.7266 -4.7266 -4.6910 -4.6910 -4.6707 -4.6707 1.2434 1.2434 4.6889 4.6889 4.8985 4.8985 6.2869 6.2869 7.4438 7.4438 7.5338 7.5338 7.7839 7.7839 7.9403 7.9403 8.0560 8.0560 8.1443 8.1443 8.7586 8.7586 9.0726 9.0726 10.2990 10.2990 10.4384 10.4384 10.5241 10.5241 k = 0.0259 0.0451 0.5763 ( 4928 PWs) bands (ev): -5.3388 -5.3388 -5.2682 -5.2682 -5.2285 -5.2285 -5.2003 -5.2003 -4.8501 -4.8501 -4.8269 -4.8269 -4.7564 -4.7564 -4.7267 -4.7267 -4.6917 -4.6917 -4.6720 -4.6720 1.2495 1.2495 4.6971 4.6971 4.8324 4.8324 6.3575 6.3575 7.4512 7.4512 7.5288 7.5288 7.7838 7.7838 7.9458 7.9458 8.0573 8.0573 8.1484 8.1484 8.7395 8.7395 9.0835 9.0835 10.2775 10.2775 10.4359 10.4359 10.5169 10.5169 k = 0.0345 0.0602 0.5763 ( 4928 PWs) bands (ev): -5.3373 -5.3373 -5.2677 -5.2677 -5.2283 -5.2283 -5.2003 -5.2003 -4.8495 -4.8495 -4.8272 -4.8272 -4.7562 -4.7562 -4.7269 -4.7269 -4.6926 -4.6926 -4.6736 -4.6736 1.2579 1.2579 4.7083 4.7083 4.7496 4.7496 6.4464 6.4464 7.4616 7.4616 7.5214 7.5214 7.7837 7.7837 7.9535 7.9535 8.0589 8.0589 8.1540 8.1540 8.7155 8.7155 9.0968 9.0968 10.2482 10.2482 10.4293 10.4293 10.5103 10.5103 k = 0.0431 0.0752 0.5763 ( 4932 PWs) bands (ev): -5.3355 -5.3355 -5.2671 -5.2671 -5.2279 -5.2279 -5.2004 -5.2004 -4.8487 -4.8487 -4.8274 -4.8274 -4.7560 -4.7560 -4.7271 -4.7271 -4.6939 -4.6939 -4.6756 -4.6756 1.2688 1.2688 4.6546 4.6546 4.7234 4.7234 6.5484 6.5484 7.4749 7.4749 7.5112 7.5112 7.7838 7.7838 7.9634 7.9634 8.0609 8.0609 8.1608 8.1608 8.6885 8.6885 9.1116 9.1116 10.2119 10.2119 10.4156 10.4156 10.5076 10.5076 k = 0.0517 0.0902 0.5763 ( 4932 PWs) bands (ev): -5.3332 -5.3332 -5.2664 -5.2664 -5.2275 -5.2275 -5.2005 -5.2005 -4.8477 -4.8477 -4.8277 -4.8277 -4.7558 -4.7558 -4.7273 -4.7273 -4.6953 -4.6953 -4.6782 -4.6782 1.2821 1.2821 4.5524 4.5524 4.7412 4.7412 6.6593 6.6593 7.4897 7.4897 7.4992 7.4992 7.7841 7.7841 7.9755 7.9755 8.0630 8.0630 8.1685 8.1685 8.6601 8.6601 9.1272 9.1272 10.1694 10.1694 10.3936 10.3936 10.5103 10.5103 k = 0.0603 0.1053 0.5763 ( 4934 PWs) bands (ev): -5.3307 -5.3307 -5.2655 -5.2655 -5.2271 -5.2271 -5.2006 -5.2006 -4.8465 -4.8465 -4.8281 -4.8281 -4.7555 -4.7555 -4.7276 -4.7276 -4.6971 -4.6971 -4.6811 -4.6811 1.2979 1.2979 4.4451 4.4451 4.7623 4.7623 6.7761 6.7761 7.4795 7.4795 7.5111 7.5111 7.7846 7.7846 7.9897 7.9897 8.0651 8.0651 8.1767 8.1767 8.6321 8.6321 9.1431 9.1431 10.1215 10.1215 10.3644 10.3644 10.5177 10.5177 k = 0.0690 0.1203 0.5763 ( 4930 PWs) bands (ev): -5.3277 -5.3277 -5.2644 -5.2644 -5.2265 -5.2265 -5.2007 -5.2007 -4.8451 -4.8451 -4.8284 -4.8284 -4.7552 -4.7552 -4.7279 -4.7279 -4.6991 -4.6991 -4.6843 -4.6843 1.3161 1.3161 4.3348 4.3348 4.7866 4.7866 6.8964 6.8964 7.4579 7.4579 7.5327 7.5327 7.7855 7.7855 8.0061 8.0061 8.0672 8.0672 8.1851 8.1851 8.6061 8.6061 9.1591 9.1591 10.0692 10.0692 10.3293 10.3293 10.5288 10.5288 k = 0.0776 0.1354 0.5763 ( 4910 PWs) bands (ev): -5.3245 -5.3245 -5.2633 -5.2633 -5.2258 -5.2258 -5.2008 -5.2008 -4.8435 -4.8435 -4.8287 -4.8287 -4.7548 -4.7548 -4.7282 -4.7282 -4.7013 -4.7013 -4.6879 -4.6879 1.3367 1.3367 4.2229 4.2229 4.8142 4.8142 7.0184 7.0184 7.4308 7.4308 7.5572 7.5572 7.7868 7.7868 8.0246 8.0246 8.0690 8.0690 8.1935 8.1935 8.5836 8.5836 9.1747 9.1747 10.0132 10.0132 10.2895 10.2895 10.5428 10.5428 k = 0.0862 0.1504 0.5763 ( 4926 PWs) bands (ev): -5.3210 -5.3210 -5.2623 -5.2623 -5.2253 -5.2253 -5.2009 -5.2009 -4.8419 -4.8419 -4.8290 -4.8290 -4.7544 -4.7544 -4.7287 -4.7287 -4.7037 -4.7037 -4.6920 -4.6920 1.3598 1.3598 4.1104 4.1104 4.8449 4.8449 7.1407 7.1407 7.3980 7.3980 7.5843 7.5843 7.7887 7.7887 8.0452 8.0452 8.0703 8.0703 8.2016 8.2016 8.5658 8.5658 9.1899 9.1899 9.9541 9.9541 10.2459 10.2459 10.5595 10.5595 k = 0.0948 0.1655 0.5763 ( 4946 PWs) bands (ev): -5.3173 -5.3173 -5.2610 -5.2610 -5.2246 -5.2246 -5.2012 -5.2012 -4.8400 -4.8400 -4.8294 -4.8294 -4.7540 -4.7540 -4.7292 -4.7292 -4.7066 -4.7066 -4.6964 -4.6964 1.3854 1.3854 3.9979 3.9979 4.8788 4.8788 7.2619 7.2619 7.3588 7.3588 7.6140 7.6140 7.7912 7.7912 8.0677 8.0677 8.0713 8.0713 8.2095 8.2095 8.5536 8.5536 9.2045 9.2045 9.8927 9.8927 10.1991 10.1991 10.5787 10.5787 k = 0.1034 0.1805 0.5763 ( 4928 PWs) bands (ev): -5.3133 -5.3133 -5.2596 -5.2596 -5.2238 -5.2238 -5.2014 -5.2014 -4.8377 -4.8377 -4.8296 -4.8296 -4.7535 -4.7535 -4.7296 -4.7296 -4.7095 -4.7095 -4.7010 -4.7010 1.4135 1.4135 3.8861 3.8861 4.9158 4.9158 7.3128 7.3128 7.3812 7.3812 7.6460 7.6460 7.7943 7.7943 8.0714 8.0714 8.0923 8.0923 8.2176 8.2176 8.5472 8.5472 9.2183 9.2183 9.8294 9.8294 10.1496 10.1496 10.6003 10.6003 k = 0.1121 0.1955 0.5763 ( 4932 PWs) bands (ev): -5.3091 -5.3091 -5.2583 -5.2583 -5.2230 -5.2230 -5.2016 -5.2016 -4.8355 -4.8355 -4.8297 -4.8297 -4.7531 -4.7531 -4.7301 -4.7301 -4.7127 -4.7127 -4.7060 -4.7060 1.4441 1.4441 3.7753 3.7753 4.9560 4.9560 7.2605 7.2605 7.4969 7.4969 7.6803 7.6803 7.7983 7.7983 8.0709 8.0709 8.1186 8.1186 8.2264 8.2264 8.5464 8.5464 9.2310 9.2310 9.7646 9.7646 10.0982 10.0982 10.6246 10.6246 k = 0.1207 0.2106 0.5763 ( 4934 PWs) bands (ev): -5.3048 -5.3048 -5.2570 -5.2570 -5.2222 -5.2222 -5.2018 -5.2018 -4.8331 -4.8331 -4.8297 -4.8297 -4.7525 -4.7525 -4.7307 -4.7307 -4.7160 -4.7160 -4.7113 -4.7113 1.4772 1.4772 3.6658 3.6658 4.9992 4.9992 7.2018 7.2018 7.6083 7.6083 7.7167 7.7167 7.8033 7.8033 8.0695 8.0695 8.1465 8.1465 8.2365 8.2365 8.5505 8.5505 9.2427 9.2427 9.6988 9.6988 10.0451 10.0451 10.6517 10.6517 k = 0.1293 0.2256 0.5763 ( 4934 PWs) bands (ev): -5.3005 -5.3005 -5.2556 -5.2556 -5.2213 -5.2213 -5.2021 -5.2021 -4.8305 -4.8305 -4.8295 -4.8295 -4.7519 -4.7519 -4.7313 -4.7313 -4.7195 -4.7195 -4.7167 -4.7167 1.5128 1.5128 3.5580 3.5580 5.0454 5.0454 7.1372 7.1372 7.7133 7.7133 7.7551 7.7551 7.8103 7.8103 8.0673 8.0673 8.1757 8.1757 8.2485 8.2485 8.5585 8.5585 9.2531 9.2531 9.6323 9.6323 9.9911 9.9911 10.6818 10.6818 k = 0.1379 0.2407 0.5763 ( 4944 PWs) bands (ev): -5.2960 -5.2960 -5.2544 -5.2544 -5.2205 -5.2205 -5.2024 -5.2024 -4.8293 -4.8293 -4.8277 -4.8277 -4.7514 -4.7514 -4.7320 -4.7320 -4.7235 -4.7235 -4.7221 -4.7221 1.5509 1.5509 3.4519 3.4519 5.0947 5.0947 7.0674 7.0674 7.7920 7.7920 7.7997 7.7997 7.8343 7.8343 8.0641 8.0641 8.2058 8.2058 8.2629 8.2629 8.5695 8.5695 9.2622 9.2622 9.5653 9.5653 9.9365 9.9365 10.7152 10.7152 k = 0.1466 0.2557 0.5763 ( 4936 PWs) bands (ev): -5.2915 -5.2915 -5.2530 -5.2530 -5.2196 -5.2196 -5.2028 -5.2028 -4.8287 -4.8287 -4.8247 -4.8247 -4.7509 -4.7509 -4.7327 -4.7327 -4.7286 -4.7286 -4.7264 -4.7264 1.5916 1.5916 3.3478 3.3478 5.1469 5.1469 6.9931 6.9931 7.8152 7.8152 7.8366 7.8366 7.9175 7.9175 8.0599 8.0599 8.2362 8.2362 8.2801 8.2801 8.5824 8.5824 9.2700 9.2700 9.4982 9.4982 9.8818 9.8818 10.7524 10.7524 k = 0.1552 0.2707 0.5763 ( 4930 PWs) bands (ev): -5.2871 -5.2871 -5.2518 -5.2518 -5.2187 -5.2187 -5.2031 -5.2031 -4.8278 -4.8278 -4.8215 -4.8215 -4.7503 -4.7503 -4.7346 -4.7346 -4.7335 -4.7335 -4.7301 -4.7301 1.6349 1.6349 3.2458 3.2458 5.2020 5.2020 6.9150 6.9150 7.8244 7.8244 7.8789 7.8789 8.0047 8.0047 8.0549 8.0549 8.2663 8.2663 8.2999 8.2999 8.5962 8.5962 9.2765 9.2765 9.4311 9.4311 9.8276 9.8276 10.7936 10.7936 k = 0.1638 0.2858 0.5763 ( 4926 PWs) bands (ev): -5.2828 -5.2828 -5.2507 -5.2507 -5.2177 -5.2177 -5.2035 -5.2035 -4.8268 -4.8268 -4.8182 -4.8182 -4.7497 -4.7497 -4.7404 -4.7404 -4.7356 -4.7356 -4.7328 -4.7328 1.6807 1.6807 3.1460 3.1460 5.2600 5.2600 6.8338 6.8338 7.8330 7.8330 7.9223 7.9223 8.0488 8.0488 8.0868 8.0868 8.2953 8.2953 8.3221 8.3221 8.6100 8.6100 9.2818 9.2818 9.3643 9.3643 9.7744 9.7744 10.8392 10.8392 k = 0.1724 0.3008 0.5763 ( 4926 PWs) bands (ev): -5.2785 -5.2785 -5.2498 -5.2498 -5.2168 -5.2168 -5.2039 -5.2039 -4.8255 -4.8255 -4.8148 -4.8148 -4.7498 -4.7498 -4.7458 -4.7458 -4.7392 -4.7392 -4.7340 -4.7340 1.7291 1.7291 3.0485 3.0485 5.3207 5.3207 6.7504 6.7504 7.8421 7.8421 7.9659 7.9659 8.0426 8.0426 8.1630 8.1630 8.3228 8.3228 8.3458 8.3458 8.6230 8.6230 9.2845 9.2845 9.2995 9.2995 9.7225 9.7225 10.8893 10.8893 k = 0.1810 0.3159 0.5763 ( 4928 PWs) bands (ev): -5.2745 -5.2745 -5.2490 -5.2490 -5.2159 -5.2159 -5.2044 -5.2044 -4.8238 -4.8238 -4.8113 -4.8113 -4.7535 -4.7535 -4.7478 -4.7478 -4.7431 -4.7431 -4.7349 -4.7349 1.7801 1.7801 2.9534 2.9534 5.3842 5.3842 6.6652 6.6652 7.8517 7.8517 8.0066 8.0066 8.0385 8.0385 8.2343 8.2343 8.3479 8.3479 8.3704 8.3704 8.6342 8.6342 9.2306 9.2306 9.2914 9.2914 9.6724 9.6724 10.9441 10.9441 k = 0.1897 0.3309 0.5763 ( 4928 PWs) bands (ev): -5.2707 -5.2707 -5.2484 -5.2484 -5.2150 -5.2150 -5.2049 -5.2049 -4.8219 -4.8219 -4.8076 -4.8076 -4.7593 -4.7593 -4.7489 -4.7489 -4.7458 -4.7458 -4.7357 -4.7357 1.8338 1.8338 2.8607 2.8607 5.4503 5.4503 6.5789 6.5789 7.8619 7.8619 8.0192 8.0192 8.0616 8.0616 8.3015 8.3015 8.3687 8.3687 8.3961 8.3961 8.6429 8.6429 9.1653 9.1653 9.2953 9.2953 9.6247 9.6247 11.0035 11.0035 k = 0.1983 0.3460 0.5763 ( 4924 PWs) bands (ev): -5.2671 -5.2671 -5.2480 -5.2480 -5.2141 -5.2141 -5.2054 -5.2054 -4.8195 -4.8195 -4.8038 -4.8038 -4.7652 -4.7652 -4.7525 -4.7525 -4.7458 -4.7458 -4.7365 -4.7365 1.8900 1.8900 2.7704 2.7704 5.5190 5.5190 6.4919 6.4919 7.8726 7.8726 8.0119 8.0119 8.1035 8.1035 8.3653 8.3653 8.3832 8.3832 8.4239 8.4239 8.6483 8.6483 9.1004 9.1004 9.3002 9.3002 9.5795 9.5795 11.0673 11.0673 k = 0.2069 0.3610 0.5763 ( 4928 PWs) bands (ev): -5.2637 -5.2637 -5.2480 -5.2480 -5.2132 -5.2132 -5.2059 -5.2059 -4.8169 -4.8169 -4.8000 -4.8000 -4.7712 -4.7712 -4.7567 -4.7567 -4.7452 -4.7452 -4.7373 -4.7373 1.9489 1.9489 2.6827 2.6827 5.5901 5.5901 6.4047 6.4047 7.8837 7.8837 8.0021 8.0021 8.1460 8.1460 8.3906 8.3906 8.4264 8.4264 8.4537 8.4537 8.6497 8.6497 9.0362 9.0362 9.3064 9.3064 9.5374 9.5374 11.1352 11.1352 k = 0.2155 0.3760 0.5763 ( 4924 PWs) bands (ev): -5.2607 -5.2607 -5.2481 -5.2481 -5.2124 -5.2124 -5.2065 -5.2065 -4.8138 -4.8138 -4.7960 -4.7960 -4.7768 -4.7768 -4.7611 -4.7611 -4.7445 -4.7445 -4.7381 -4.7381 2.0104 2.0104 2.5976 2.5976 5.6636 5.6636 6.3178 6.3178 7.8953 7.8953 7.9915 7.9915 8.1874 8.1874 8.3910 8.3910 8.4777 8.4777 8.4923 8.4923 8.6467 8.6467 8.9728 8.9728 9.3146 9.3146 9.4984 9.4984 11.2067 11.2067 k = 0.2241 0.3911 0.5763 ( 4918 PWs) bands (ev): -5.2579 -5.2579 -5.2485 -5.2485 -5.2115 -5.2115 -5.2071 -5.2071 -4.8104 -4.8104 -4.7921 -4.7921 -4.7821 -4.7821 -4.7655 -4.7655 -4.7437 -4.7437 -4.7388 -4.7388 2.0746 2.0746 2.5150 2.5150 5.7393 5.7393 6.2313 6.2313 7.9071 7.9071 7.9802 7.9802 8.2269 8.2269 8.3844 8.3844 8.5097 8.5097 8.5492 8.5492 8.6390 8.6390 8.9101 8.9101 9.3254 9.3254 9.4629 9.4629 11.2810 11.2810 k = 0.2328 0.4061 0.5763 ( 4932 PWs) bands (ev): -5.2556 -5.2556 -5.2493 -5.2493 -5.2108 -5.2108 -5.2078 -5.2078 -4.8067 -4.8067 -4.7900 -4.7900 -4.7855 -4.7855 -4.7698 -4.7698 -4.7429 -4.7429 -4.7397 -4.7397 2.1414 2.1414 2.4350 2.4350 5.8171 5.8171 6.1457 6.1457 7.9192 7.9192 7.9684 7.9684 8.2637 8.2637 8.3713 8.3713 8.5384 8.5384 8.6078 8.6078 8.6269 8.6269 8.8483 8.8483 9.3394 9.3394 9.4310 9.4310 11.3575 11.3575 k = 0.2414 0.4212 0.5763 ( 4932 PWs) bands (ev): -5.2535 -5.2535 -5.2504 -5.2504 -5.2100 -5.2100 -5.2085 -5.2085 -4.8026 -4.8026 -4.7936 -4.7936 -4.7827 -4.7827 -4.7742 -4.7742 -4.7421 -4.7421 -4.7405 -4.7405 2.2109 2.2109 2.3576 2.3576 5.8968 5.8968 6.0613 6.0613 7.9315 7.9315 7.9564 7.9564 8.2972 8.2972 8.3521 8.3521 8.5652 8.5652 8.6094 8.6094 8.6679 8.6679 8.7872 8.7872 9.3567 9.3567 9.4026 9.4026 11.4354 11.4354 k = 0.2500 0.4362 0.5763 ( 4928 PWs) bands (ev): -5.2518 -5.2518 -5.2517 -5.2517 -5.2092 -5.2092 -5.2092 -5.2092 -4.7983 -4.7983 -4.7981 -4.7981 -4.7786 -4.7786 -4.7784 -4.7784 -4.7413 -4.7413 -4.7413 -4.7413 2.2829 2.2829 2.2829 2.2829 5.9780 5.9780 5.9785 5.9785 7.9437 7.9437 7.9442 7.9442 8.3266 8.3266 8.3275 8.3275 8.5887 8.5887 8.5893 8.5893 8.7267 8.7267 8.7276 8.7276 9.3776 9.3776 9.3780 9.3780 11.5139 11.5141 Writing output data file Zr2Ga.save init_run : 0.14s CPU 0.30s WALL ( 1 calls) electrons : 251.36s CPU 254.82s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 251.36s CPU 254.82s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 305 calls) cegterg : 228.63s CPU 231.51s WALL ( 844 calls) Called by sum_band: Called by *egterg: h_psi : 131.16s CPU 132.65s WALL ( 15348 calls) s_psi : 5.04s CPU 5.15s WALL ( 15348 calls) g_psi : 0.34s CPU 0.36s WALL ( 14199 calls) cdiaghg : 84.86s CPU 86.67s WALL ( 14504 calls) cegterg:over : 8.36s CPU 8.30s WALL ( 14199 calls) cegterg:upda : 8.62s CPU 8.56s WALL ( 14199 calls) cegterg:last : 3.95s CPU 3.87s WALL ( 1761 calls) cdiaghg:chol : 4.70s CPU 4.81s WALL ( 14504 calls) cdiaghg:inve : 2.96s CPU 3.13s WALL ( 14504 calls) cdiaghg:para : 4.74s CPU 4.92s WALL ( 29008 calls) Called by h_psi: h_psi:vloc : 116.24s CPU 117.57s WALL ( 15348 calls) h_psi:vnl : 14.62s CPU 14.72s WALL ( 15348 calls) add_vuspsi : 7.18s CPU 7.33s WALL ( 15348 calls) General routines calbec : 7.38s CPU 7.35s WALL ( 15348 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 109.05s CPU 110.43s WALL ( 1063032 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.22s WALL ( 610 calls) Parallel routines fft_scatter : 36.50s CPU 37.44s WALL ( 1063055 calls) PWSCF : 4m26.58s CPU 4m43.35s WALL This run was terminated on: 19: 8: 3 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=