Program PWSCF v.5.4.0 starts on 15Mar2017 at 15:32:44 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 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: ./AlCuTe2.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 46 36 10 1217 818 124 Max 47 37 11 1221 846 126 Sum 3365 2615 739 87751 60005 8965 bravais-lattice index = 14 lattice parameter (alat) = 13.7171 a.u. unit-cell volume = 1422.3841 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 237.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.717106 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.661106 celldm(5)= -0.661106 celldm(6)= 0.322212 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.322212 0.946668 0.000000 ) a(3) = ( -0.661106 -0.473334 0.582146 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.340364 0.858891 ) b(2) = ( 0.000000 1.056337 0.858891 ) b(3) = ( 0.000000 0.000000 1.717782 ) PseudoPot. # 1 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Al read from file: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 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 Te 6.00 127.60000 Te( 1.00) Al 3.00 26.98150 Al( 1.00) Cu 11.00 63.54600 Cu( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( -0.2500000 ) ( -1 -1 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.1611060 ) ( 0.0000000 1.0000000 0.0000000 ) ( -0.4733338 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2910730 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E s 2 inv. 180 deg rotation - cart. axis [0,0,1] -s -2 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 261 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 2) = ( 0.0000000 0.0000000 0.0226024), wk = 0.0038314 k( 3) = ( 0.0000000 0.0000000 0.0452048), wk = 0.0038314 k( 4) = ( 0.0000000 0.0000000 0.0678072), wk = 0.0038314 k( 5) = ( 0.0000000 0.0000000 0.0904096), wk = 0.0038314 k( 6) = ( 0.0000000 0.0000000 0.1130120), wk = 0.0038314 k( 7) = ( 0.0000000 0.0000000 0.1356144), wk = 0.0038314 k( 8) = ( 0.0000000 0.0000000 0.1582168), wk = 0.0038314 k( 9) = ( 0.0000000 0.0000000 0.1808192), wk = 0.0038314 k( 10) = ( 0.0000000 0.0000000 0.2034216), wk = 0.0038314 k( 11) = ( 0.0000000 0.0000000 0.2260240), wk = 0.0038314 k( 12) = ( 0.0000000 0.0000000 0.2486263), wk = 0.0038314 k( 13) = ( 0.0000000 0.0000000 0.2712288), wk = 0.0038314 k( 14) = ( 0.0000000 0.0000000 0.2938311), wk = 0.0038314 k( 15) = ( 0.0000000 0.0000000 0.3164335), wk = 0.0038314 k( 16) = ( 0.0000000 0.0000000 0.3390359), wk = 0.0038314 k( 17) = ( 0.0000000 0.0000000 0.3616383), wk = 0.0038314 k( 18) = ( 0.0000000 0.0000000 0.3842407), wk = 0.0038314 k( 19) = ( 0.0000000 0.0000000 0.4068431), wk = 0.0038314 k( 20) = ( 0.0000000 0.0000000 0.4294455), wk = 0.0038314 k( 21) = ( 0.0000000 0.0000000 0.4520479), wk = 0.0038314 k( 22) = ( 0.0000000 0.0000000 0.4746503), wk = 0.0038314 k( 23) = ( 0.0000000 0.0000000 0.4972527), wk = 0.0038314 k( 24) = ( 0.0000000 0.0000000 0.5198551), wk = 0.0038314 k( 25) = ( 0.0000000 0.0000000 0.5424575), wk = 0.0038314 k( 26) = ( 0.0000000 0.0000000 0.5650599), wk = 0.0038314 k( 27) = ( 0.0000000 0.0000000 0.5876623), wk = 0.0038314 k( 28) = ( 0.0000000 0.0000000 0.6102647), wk = 0.0038314 k( 29) = ( 0.0000000 0.0000000 0.6328671), wk = 0.0038314 k( 30) = ( 0.0000000 0.0000000 0.6554695), wk = 0.0038314 k( 31) = ( 0.0000000 0.0000000 0.6780719), wk = 0.0038314 k( 32) = ( 0.0000000 0.0000000 0.7006743), wk = 0.0038314 k( 33) = ( 0.0000000 0.0000000 0.7232767), wk = 0.0038314 k( 34) = ( 0.0000000 0.0000000 0.7458791), wk = 0.0038314 k( 35) = ( 0.0000000 0.0000000 0.7684814), wk = 0.0038314 k( 36) = ( 0.0000000 0.0000000 0.7910839), wk = 0.0038314 k( 37) = ( 0.0000000 0.0000000 0.8136862), wk = 0.0038314 k( 38) = ( 0.0000000 0.0000000 0.8362886), wk = 0.0038314 k( 39) = ( 0.0000000 0.0000000 0.8588910), wk = 0.0038314 k( 40) = ( 0.0000000 0.0000000 0.8588910), wk = 0.0038314 k( 41) = ( -0.0128154 0.0178993 0.8588910), wk = 0.0038314 k( 42) = ( -0.0256308 0.0357986 0.8588910), wk = 0.0038314 k( 43) = ( -0.0384463 0.0536979 0.8588910), wk = 0.0038314 k( 44) = ( -0.0512617 0.0715973 0.8588910), wk = 0.0038314 k( 45) = ( -0.0640771 0.0894966 0.8588910), wk = 0.0038314 k( 46) = ( -0.0768925 0.1073959 0.8588910), wk = 0.0038314 k( 47) = ( -0.0897079 0.1252952 0.8588910), wk = 0.0038314 k( 48) = ( -0.1025233 0.1431945 0.8588910), wk = 0.0038314 k( 49) = ( -0.1153388 0.1610938 0.8588910), wk = 0.0038314 k( 50) = ( -0.1281542 0.1789931 0.8588910), wk = 0.0038314 k( 51) = ( -0.1281542 0.1789931 0.8588910), wk = 0.0038314 k( 52) = ( -0.1374503 0.1919771 0.8429223), wk = 0.0038314 k( 53) = ( -0.1467465 0.2049610 0.8269535), wk = 0.0038314 k( 54) = ( -0.1560426 0.2179450 0.8109848), wk = 0.0038314 k( 55) = ( -0.1653388 0.2309289 0.7950160), wk = 0.0038314 k( 56) = ( -0.1746349 0.2439128 0.7790473), wk = 0.0038314 k( 57) = ( -0.1839311 0.2568968 0.7630785), wk = 0.0038314 k( 58) = ( -0.1932272 0.2698807 0.7471098), wk = 0.0038314 k( 59) = ( -0.2025233 0.2828647 0.7311410), wk = 0.0038314 k( 60) = ( -0.2118195 0.2958486 0.7151723), wk = 0.0038314 k( 61) = ( -0.2211156 0.3088326 0.6992035), wk = 0.0038314 k( 62) = ( -0.2304118 0.3218165 0.6832348), wk = 0.0038314 k( 63) = ( -0.2397079 0.3348004 0.6672660), wk = 0.0038314 k( 64) = ( -0.2490041 0.3477844 0.6512973), wk = 0.0038314 k( 65) = ( -0.2583002 0.3607683 0.6353285), wk = 0.0038314 k( 66) = ( -0.2675964 0.3737522 0.6193598), wk = 0.0038314 k( 67) = ( -0.2768925 0.3867362 0.6033910), wk = 0.0038314 k( 68) = ( -0.2861886 0.3997201 0.5874223), wk = 0.0038314 k( 69) = ( -0.2954848 0.4127041 0.5714535), wk = 0.0038314 k( 70) = ( -0.3047809 0.4256880 0.5554848), wk = 0.0038314 k( 71) = ( -0.3140771 0.4386720 0.5395160), wk = 0.0038314 k( 72) = ( -0.3140771 0.4386720 0.5395160), wk = 0.0038314 k( 73) = ( -0.3048395 0.4257698 0.5236479), wk = 0.0038314 k( 74) = ( -0.2956020 0.4128677 0.5077798), wk = 0.0038314 k( 75) = ( -0.2863644 0.3999656 0.4919116), wk = 0.0038314 k( 76) = ( -0.2771268 0.3870635 0.4760435), wk = 0.0038314 k( 77) = ( -0.2678893 0.3741614 0.4601754), wk = 0.0038314 k( 78) = ( -0.2586517 0.3612593 0.4443073), wk = 0.0038314 k( 79) = ( -0.2494142 0.3483571 0.4284392), wk = 0.0038314 k( 80) = ( -0.2401766 0.3354550 0.4125711), wk = 0.0038314 k( 81) = ( -0.2309390 0.3225529 0.3967029), wk = 0.0038314 k( 82) = ( -0.2217015 0.3096508 0.3808348), wk = 0.0038314 k( 83) = ( -0.2124639 0.2967487 0.3649667), wk = 0.0038314 k( 84) = ( -0.2032264 0.2838466 0.3490986), wk = 0.0038314 k( 85) = ( -0.1939888 0.2709444 0.3332305), wk = 0.0038314 k( 86) = ( -0.1847512 0.2580423 0.3173623), wk = 0.0038314 k( 87) = ( -0.1755137 0.2451402 0.3014942), wk = 0.0038314 k( 88) = ( -0.1662761 0.2322381 0.2856261), wk = 0.0038314 k( 89) = ( -0.1570385 0.2193360 0.2697580), wk = 0.0038314 k( 90) = ( -0.1478010 0.2064339 0.2538899), wk = 0.0038314 k( 91) = ( -0.1385634 0.1935317 0.2380218), wk = 0.0038314 k( 92) = ( -0.1293259 0.1806296 0.2221536), wk = 0.0038314 k( 93) = ( -0.1200883 0.1677275 0.2062855), wk = 0.0038314 k( 94) = ( -0.1108507 0.1548254 0.1904174), wk = 0.0038314 k( 95) = ( -0.1016132 0.1419233 0.1745493), wk = 0.0038314 k( 96) = ( -0.0923756 0.1290212 0.1586812), wk = 0.0038314 k( 97) = ( -0.0831381 0.1161190 0.1428131), wk = 0.0038314 k( 98) = ( -0.0739005 0.1032169 0.1269449), wk = 0.0038314 k( 99) = ( -0.0646629 0.0903148 0.1110768), wk = 0.0038314 k( 100) = ( -0.0554254 0.0774127 0.0952087), wk = 0.0038314 k( 101) = ( -0.0461878 0.0645106 0.0793406), wk = 0.0038314 k( 102) = ( -0.0369502 0.0516085 0.0634725), wk = 0.0038314 k( 103) = ( -0.0277127 0.0387063 0.0476043), wk = 0.0038314 k( 104) = ( -0.0184751 0.0258042 0.0317362), wk = 0.0038314 k( 105) = ( -0.0092376 0.0129021 0.0158681), wk = 0.0038314 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 108) = ( 0.0185185 0.0132588 0.0000000), wk = 0.0038314 k( 109) = ( 0.0370370 0.0265175 0.0000000), wk = 0.0038314 k( 110) = ( 0.0555556 0.0397763 0.0000000), wk = 0.0038314 k( 111) = ( 0.0740741 0.0530350 0.0000000), wk = 0.0038314 k( 112) = ( 0.0925926 0.0662938 0.0000000), wk = 0.0038314 k( 113) = ( 0.1111111 0.0795525 0.0000000), wk = 0.0038314 k( 114) = ( 0.1296296 0.0928113 0.0000000), wk = 0.0038314 k( 115) = ( 0.1481482 0.1060700 0.0000000), wk = 0.0038314 k( 116) = ( 0.1666667 0.1193288 0.0000000), wk = 0.0038314 k( 117) = ( 0.1851852 0.1325875 0.0000000), wk = 0.0038314 k( 118) = ( 0.2037037 0.1458463 0.0000000), wk = 0.0038314 k( 119) = ( 0.2222222 0.1591050 0.0000000), wk = 0.0038314 k( 120) = ( 0.2407407 0.1723638 0.0000000), wk = 0.0038314 k( 121) = ( 0.2592593 0.1856225 0.0000000), wk = 0.0038314 k( 122) = ( 0.2777778 0.1988813 0.0000000), wk = 0.0038314 k( 123) = ( 0.2962963 0.2121400 0.0000000), wk = 0.0038314 k( 124) = ( 0.3148148 0.2253988 0.0000000), wk = 0.0038314 k( 125) = ( 0.3333333 0.2386575 0.0000000), wk = 0.0038314 k( 126) = ( 0.3518519 0.2519163 0.0000000), wk = 0.0038314 k( 127) = ( 0.3703704 0.2651750 0.0000000), wk = 0.0038314 k( 128) = ( 0.3888889 0.2784338 0.0000000), wk = 0.0038314 k( 129) = ( 0.4074074 0.2916925 0.0000000), wk = 0.0038314 k( 130) = ( 0.4259259 0.3049513 0.0000000), wk = 0.0038314 k( 131) = ( 0.4444444 0.3182100 0.0000000), wk = 0.0038314 k( 132) = ( 0.4629630 0.3314688 0.0000000), wk = 0.0038314 k( 133) = ( 0.4814815 0.3447275 0.0000000), wk = 0.0038314 k( 134) = ( 0.5000000 0.3579863 0.0000000), wk = 0.0038314 k( 135) = ( 0.5000000 0.3579863 0.0000000), wk = 0.0038314 k( 136) = ( 0.4907038 0.3709702 0.0159688), wk = 0.0038314 k( 137) = ( 0.4814077 0.3839542 0.0319375), wk = 0.0038314 k( 138) = ( 0.4721116 0.3969381 0.0479063), wk = 0.0038314 k( 139) = ( 0.4628154 0.4099220 0.0638750), wk = 0.0038314 k( 140) = ( 0.4535193 0.4229060 0.0798438), wk = 0.0038314 k( 141) = ( 0.4442231 0.4358899 0.0958125), wk = 0.0038314 k( 142) = ( 0.4349270 0.4488739 0.1117813), wk = 0.0038314 k( 143) = ( 0.4256308 0.4618578 0.1277500), wk = 0.0038314 k( 144) = ( 0.4163347 0.4748418 0.1437188), wk = 0.0038314 k( 145) = ( 0.4070385 0.4878257 0.1596875), wk = 0.0038314 k( 146) = ( 0.3977424 0.5008096 0.1756563), wk = 0.0038314 k( 147) = ( 0.3884462 0.5137936 0.1916250), wk = 0.0038314 k( 148) = ( 0.3791501 0.5267775 0.2075938), wk = 0.0038314 k( 149) = ( 0.3698540 0.5397615 0.2235625), wk = 0.0038314 k( 150) = ( 0.3605578 0.5527454 0.2395313), wk = 0.0038314 k( 151) = ( 0.3512617 0.5657293 0.2555000), wk = 0.0038314 k( 152) = ( 0.3419655 0.5787133 0.2714688), wk = 0.0038314 k( 153) = ( 0.3326694 0.5916972 0.2874375), wk = 0.0038314 k( 154) = ( 0.3233732 0.6046812 0.3034063), wk = 0.0038314 k( 155) = ( 0.3140771 0.6176651 0.3193750), wk = 0.0038314 k( 156) = ( 0.3140771 0.6176651 0.3193750), wk = 0.0038314 k( 157) = ( 0.2931386 0.6116987 0.3267131), wk = 0.0038314 k( 158) = ( 0.2722001 0.6057322 0.3340511), wk = 0.0038314 k( 159) = ( 0.2512617 0.5997658 0.3413891), wk = 0.0038314 k( 160) = ( 0.2303232 0.5937994 0.3487272), wk = 0.0038314 k( 161) = ( 0.2093847 0.5878329 0.3560652), wk = 0.0038314 k( 162) = ( 0.1884463 0.5818665 0.3634032), wk = 0.0038314 k( 163) = ( 0.1675078 0.5759000 0.3707413), wk = 0.0038314 k( 164) = ( 0.1465693 0.5699336 0.3780793), wk = 0.0038314 k( 165) = ( 0.1256308 0.5639672 0.3854173), wk = 0.0038314 k( 166) = ( 0.1046924 0.5580007 0.3927554), wk = 0.0038314 k( 167) = ( 0.0837539 0.5520343 0.4000934), wk = 0.0038314 k( 168) = ( 0.0628154 0.5460678 0.4074314), wk = 0.0038314 k( 169) = ( 0.0418770 0.5401014 0.4147694), wk = 0.0038314 k( 170) = ( 0.0209385 0.5341350 0.4221075), wk = 0.0038314 k( 171) = ( 0.0000000 0.5281685 0.4294455), wk = 0.0038314 k( 172) = ( 0.0000000 0.5281685 0.4294455), wk = 0.0038314 k( 173) = ( 0.0092593 0.5152361 0.4453509), wk = 0.0038314 k( 174) = ( 0.0185185 0.5023037 0.4612563), wk = 0.0038314 k( 175) = ( 0.0277778 0.4893713 0.4771617), wk = 0.0038314 k( 176) = ( 0.0370370 0.4764388 0.4930671), wk = 0.0038314 k( 177) = ( 0.0462963 0.4635064 0.5089725), wk = 0.0038314 k( 178) = ( 0.0555556 0.4505740 0.5248779), wk = 0.0038314 k( 179) = ( 0.0648148 0.4376416 0.5407832), wk = 0.0038314 k( 180) = ( 0.0740741 0.4247092 0.5566886), wk = 0.0038314 k( 181) = ( 0.0833333 0.4117767 0.5725940), wk = 0.0038314 k( 182) = ( 0.0925926 0.3988443 0.5884994), wk = 0.0038314 k( 183) = ( 0.1018518 0.3859119 0.6044048), wk = 0.0038314 k( 184) = ( 0.1111111 0.3729795 0.6203102), wk = 0.0038314 k( 185) = ( 0.1203704 0.3600470 0.6362156), wk = 0.0038314 k( 186) = ( 0.1296296 0.3471146 0.6521210), wk = 0.0038314 k( 187) = ( 0.1388889 0.3341822 0.6680264), wk = 0.0038314 k( 188) = ( 0.1481482 0.3212498 0.6839317), wk = 0.0038314 k( 189) = ( 0.1574074 0.3083174 0.6998371), wk = 0.0038314 k( 190) = ( 0.1666667 0.2953849 0.7157425), wk = 0.0038314 k( 191) = ( 0.1759259 0.2824525 0.7316479), wk = 0.0038314 k( 192) = ( 0.1851852 0.2695201 0.7475533), wk = 0.0038314 k( 193) = ( 0.1944444 0.2565877 0.7634587), wk = 0.0038314 k( 194) = ( 0.2037037 0.2436553 0.7793641), wk = 0.0038314 k( 195) = ( 0.2129630 0.2307228 0.7952695), wk = 0.0038314 k( 196) = ( 0.2222222 0.2177904 0.8111749), wk = 0.0038314 k( 197) = ( 0.2314815 0.2048580 0.8270802), wk = 0.0038314 k( 198) = ( 0.2407407 0.1919256 0.8429856), wk = 0.0038314 k( 199) = ( 0.2500000 0.1789931 0.8588910), wk = 0.0038314 k( 200) = ( 0.2500000 0.1789931 0.8588910), wk = 0.0038314 k( 201) = ( 0.2647059 0.1895221 0.8459416), wk = 0.0038314 k( 202) = ( 0.2794118 0.2000512 0.8329921), wk = 0.0038314 k( 203) = ( 0.2941177 0.2105802 0.8200426), wk = 0.0038314 k( 204) = ( 0.3088235 0.2211092 0.8070932), wk = 0.0038314 k( 205) = ( 0.3235294 0.2316382 0.7941437), wk = 0.0038314 k( 206) = ( 0.3382353 0.2421672 0.7811942), wk = 0.0038314 k( 207) = ( 0.3529412 0.2526962 0.7682448), wk = 0.0038314 k( 208) = ( 0.3676471 0.2632252 0.7552953), wk = 0.0038314 k( 209) = ( 0.3823529 0.2737542 0.7423458), wk = 0.0038314 k( 210) = ( 0.3970588 0.2842832 0.7293963), wk = 0.0038314 k( 211) = ( 0.4117647 0.2948122 0.7164469), wk = 0.0038314 k( 212) = ( 0.4264706 0.3053412 0.7034974), wk = 0.0038314 k( 213) = ( 0.4411765 0.3158703 0.6905479), wk = 0.0038314 k( 214) = ( 0.4558823 0.3263993 0.6775985), wk = 0.0038314 k( 215) = ( 0.4705882 0.3369283 0.6646490), wk = 0.0038314 k( 216) = ( 0.4852941 0.3474573 0.6516995), wk = 0.0038314 k( 217) = ( 0.5000000 0.3579863 0.6387501), wk = 0.0038314 k( 218) = ( 0.5000000 0.3579863 0.6387501), wk = 0.0038314 k( 219) = ( 0.5000000 0.3579863 0.6159376), wk = 0.0038314 k( 220) = ( 0.5000000 0.3579863 0.5931251), wk = 0.0038314 k( 221) = ( 0.5000000 0.3579863 0.5703126), wk = 0.0038314 k( 222) = ( 0.5000000 0.3579863 0.5475001), wk = 0.0038314 k( 223) = ( 0.5000000 0.3579863 0.5246876), wk = 0.0038314 k( 224) = ( 0.5000000 0.3579863 0.5018751), wk = 0.0038314 k( 225) = ( 0.5000000 0.3579863 0.4790626), wk = 0.0038314 k( 226) = ( 0.5000000 0.3579863 0.4562501), wk = 0.0038314 k( 227) = ( 0.5000000 0.3579863 0.4334376), wk = 0.0038314 k( 228) = ( 0.5000000 0.3579863 0.4106250), wk = 0.0038314 k( 229) = ( 0.5000000 0.3579863 0.3878125), wk = 0.0038314 k( 230) = ( 0.5000000 0.3579863 0.3650001), wk = 0.0038314 k( 231) = ( 0.5000000 0.3579863 0.3421875), wk = 0.0038314 k( 232) = ( 0.5000000 0.3579863 0.3193750), wk = 0.0038314 k( 233) = ( 0.5000000 0.3579863 0.2965625), wk = 0.0038314 k( 234) = ( 0.5000000 0.3579863 0.2737500), wk = 0.0038314 k( 235) = ( 0.5000000 0.3579863 0.2509375), wk = 0.0038314 k( 236) = ( 0.5000000 0.3579863 0.2281250), wk = 0.0038314 k( 237) = ( 0.5000000 0.3579863 0.2053125), wk = 0.0038314 k( 238) = ( 0.5000000 0.3579863 0.1825000), wk = 0.0038314 k( 239) = ( 0.5000000 0.3579863 0.1596875), wk = 0.0038314 k( 240) = ( 0.5000000 0.3579863 0.1368750), wk = 0.0038314 k( 241) = ( 0.5000000 0.3579863 0.1140625), wk = 0.0038314 k( 242) = ( 0.5000000 0.3579863 0.0912500), wk = 0.0038314 k( 243) = ( 0.5000000 0.3579863 0.0684375), wk = 0.0038314 k( 244) = ( 0.5000000 0.3579863 0.0456250), wk = 0.0038314 k( 245) = ( 0.5000000 0.3579863 0.0228125), wk = 0.0038314 k( 246) = ( 0.5000000 0.3579863 0.0000000), wk = 0.0038314 k( 247) = ( 0.0000000 0.0000000 0.8588910), wk = 0.0038314 k( 248) = ( 0.0178571 0.0127852 0.8588910), wk = 0.0038314 k( 249) = ( 0.0357143 0.0255705 0.8588910), wk = 0.0038314 k( 250) = ( 0.0535714 0.0383557 0.8588910), wk = 0.0038314 k( 251) = ( 0.0714286 0.0511409 0.8588910), wk = 0.0038314 k( 252) = ( 0.0892857 0.0639261 0.8588910), wk = 0.0038314 k( 253) = ( 0.1071429 0.0767113 0.8588910), wk = 0.0038314 k( 254) = ( 0.1250000 0.0894966 0.8588910), wk = 0.0038314 k( 255) = ( 0.1428571 0.1022818 0.8588910), wk = 0.0038314 k( 256) = ( 0.1607143 0.1150670 0.8588910), wk = 0.0038314 k( 257) = ( 0.1785714 0.1278522 0.8588910), wk = 0.0038314 k( 258) = ( 0.1964286 0.1406375 0.8588910), wk = 0.0038314 k( 259) = ( 0.2142857 0.1534227 0.8588910), wk = 0.0038314 k( 260) = ( 0.2321429 0.1662079 0.8588910), wk = 0.0038314 k( 261) = ( 0.2500000 0.1789931 0.8588910), wk = 0.0038314 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 2) = ( 0.0000000 0.0000000 0.0131579), wk = 0.0038314 k( 3) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0038314 k( 4) = ( 0.0000000 0.0000000 0.0394737), wk = 0.0038314 k( 5) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0038314 k( 6) = ( 0.0000000 0.0000000 0.0657895), wk = 0.0038314 k( 7) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0038314 k( 8) = ( 0.0000000 0.0000000 0.0921053), wk = 0.0038314 k( 9) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0038314 k( 10) = ( 0.0000000 0.0000000 0.1184210), wk = 0.0038314 k( 11) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0038314 k( 12) = ( 0.0000000 0.0000000 0.1447368), wk = 0.0038314 k( 13) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0038314 k( 14) = ( 0.0000000 0.0000000 0.1710526), wk = 0.0038314 k( 15) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0038314 k( 16) = ( 0.0000000 0.0000000 0.1973684), wk = 0.0038314 k( 17) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0038314 k( 18) = ( 0.0000000 0.0000000 0.2236842), wk = 0.0038314 k( 19) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0038314 k( 20) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0038314 k( 21) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0038314 k( 22) = ( 0.0000000 0.0000000 0.2763158), wk = 0.0038314 k( 23) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0038314 k( 24) = ( 0.0000000 0.0000000 0.3026316), wk = 0.0038314 k( 25) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0038314 k( 26) = ( 0.0000000 0.0000000 0.3289474), wk = 0.0038314 k( 27) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0038314 k( 28) = ( 0.0000000 0.0000000 0.3552632), wk = 0.0038314 k( 29) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0038314 k( 30) = ( 0.0000000 0.0000000 0.3815789), wk = 0.0038314 k( 31) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0038314 k( 32) = ( 0.0000000 0.0000000 0.4078947), wk = 0.0038314 k( 33) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0038314 k( 34) = ( 0.0000000 0.0000000 0.4342105), wk = 0.0038314 k( 35) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0038314 k( 36) = ( 0.0000000 0.0000000 0.4605263), wk = 0.0038314 k( 37) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0038314 k( 38) = ( 0.0000000 0.0000000 0.4868421), wk = 0.0038314 k( 39) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038314 k( 40) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038314 k( 41) = ( -0.0128154 0.0128154 0.5000000), wk = 0.0038314 k( 42) = ( -0.0256308 0.0256308 0.5000000), wk = 0.0038314 k( 43) = ( -0.0384463 0.0384463 0.5000000), wk = 0.0038314 k( 44) = ( -0.0512617 0.0512617 0.5000000), wk = 0.0038314 k( 45) = ( -0.0640771 0.0640771 0.5000000), wk = 0.0038314 k( 46) = ( -0.0768925 0.0768925 0.5000000), wk = 0.0038314 k( 47) = ( -0.0897079 0.0897079 0.5000000), wk = 0.0038314 k( 48) = ( -0.1025233 0.1025233 0.5000000), wk = 0.0038314 k( 49) = ( -0.1153388 0.1153388 0.5000000), wk = 0.0038314 k( 50) = ( -0.1281542 0.1281542 0.5000000), wk = 0.0038314 k( 51) = ( -0.1281542 0.1281542 0.5000000), wk = 0.0038314 k( 52) = ( -0.1374503 0.1374503 0.4907038), wk = 0.0038314 k( 53) = ( -0.1467465 0.1467465 0.4814077), wk = 0.0038314 k( 54) = ( -0.1560426 0.1560426 0.4721116), wk = 0.0038314 k( 55) = ( -0.1653388 0.1653388 0.4628154), wk = 0.0038314 k( 56) = ( -0.1746349 0.1746349 0.4535193), wk = 0.0038314 k( 57) = ( -0.1839311 0.1839311 0.4442231), wk = 0.0038314 k( 58) = ( -0.1932272 0.1932272 0.4349270), wk = 0.0038314 k( 59) = ( -0.2025233 0.2025233 0.4256308), wk = 0.0038314 k( 60) = ( -0.2118195 0.2118195 0.4163347), wk = 0.0038314 k( 61) = ( -0.2211156 0.2211156 0.4070385), wk = 0.0038314 k( 62) = ( -0.2304118 0.2304118 0.3977424), wk = 0.0038314 k( 63) = ( -0.2397079 0.2397079 0.3884462), wk = 0.0038314 k( 64) = ( -0.2490041 0.2490041 0.3791501), wk = 0.0038314 k( 65) = ( -0.2583002 0.2583002 0.3698540), wk = 0.0038314 k( 66) = ( -0.2675964 0.2675964 0.3605578), wk = 0.0038314 k( 67) = ( -0.2768925 0.2768925 0.3512617), wk = 0.0038314 k( 68) = ( -0.2861886 0.2861886 0.3419655), wk = 0.0038314 k( 69) = ( -0.2954848 0.2954848 0.3326694), wk = 0.0038314 k( 70) = ( -0.3047809 0.3047810 0.3233732), wk = 0.0038314 k( 71) = ( -0.3140771 0.3140771 0.3140771), wk = 0.0038314 k( 72) = ( -0.3140771 0.3140771 0.3140771), wk = 0.0038314 k( 73) = ( -0.3048395 0.3048395 0.3048395), wk = 0.0038314 k( 74) = ( -0.2956020 0.2956020 0.2956020), wk = 0.0038314 k( 75) = ( -0.2863644 0.2863644 0.2863644), wk = 0.0038314 k( 76) = ( -0.2771268 0.2771268 0.2771268), wk = 0.0038314 k( 77) = ( -0.2678893 0.2678893 0.2678893), wk = 0.0038314 k( 78) = ( -0.2586517 0.2586517 0.2586517), wk = 0.0038314 k( 79) = ( -0.2494142 0.2494142 0.2494142), wk = 0.0038314 k( 80) = ( -0.2401766 0.2401766 0.2401766), wk = 0.0038314 k( 81) = ( -0.2309390 0.2309390 0.2309390), wk = 0.0038314 k( 82) = ( -0.2217015 0.2217015 0.2217015), wk = 0.0038314 k( 83) = ( -0.2124639 0.2124639 0.2124639), wk = 0.0038314 k( 84) = ( -0.2032264 0.2032264 0.2032263), wk = 0.0038314 k( 85) = ( -0.1939888 0.1939888 0.1939888), wk = 0.0038314 k( 86) = ( -0.1847512 0.1847512 0.1847512), wk = 0.0038314 k( 87) = ( -0.1755137 0.1755137 0.1755137), wk = 0.0038314 k( 88) = ( -0.1662761 0.1662761 0.1662761), wk = 0.0038314 k( 89) = ( -0.1570385 0.1570386 0.1570385), wk = 0.0038314 k( 90) = ( -0.1478010 0.1478010 0.1478010), wk = 0.0038314 k( 91) = ( -0.1385634 0.1385634 0.1385634), wk = 0.0038314 k( 92) = ( -0.1293259 0.1293259 0.1293259), wk = 0.0038314 k( 93) = ( -0.1200883 0.1200883 0.1200883), wk = 0.0038314 k( 94) = ( -0.1108507 0.1108507 0.1108507), wk = 0.0038314 k( 95) = ( -0.1016132 0.1016132 0.1016132), wk = 0.0038314 k( 96) = ( -0.0923756 0.0923756 0.0923756), wk = 0.0038314 k( 97) = ( -0.0831381 0.0831381 0.0831381), wk = 0.0038314 k( 98) = ( -0.0739005 0.0739005 0.0739005), wk = 0.0038314 k( 99) = ( -0.0646629 0.0646629 0.0646629), wk = 0.0038314 k( 100) = ( -0.0554254 0.0554254 0.0554254), wk = 0.0038314 k( 101) = ( -0.0461878 0.0461878 0.0461878), wk = 0.0038314 k( 102) = ( -0.0369502 0.0369503 0.0369502), wk = 0.0038314 k( 103) = ( -0.0277127 0.0277127 0.0277127), wk = 0.0038314 k( 104) = ( -0.0184751 0.0184751 0.0184751), wk = 0.0038314 k( 105) = ( -0.0092376 0.0092376 0.0092376), wk = 0.0038314 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038314 k( 108) = ( 0.0185185 0.0185185 -0.0185185), wk = 0.0038314 k( 109) = ( 0.0370370 0.0370370 -0.0370370), wk = 0.0038314 k( 110) = ( 0.0555556 0.0555556 -0.0555556), wk = 0.0038314 k( 111) = ( 0.0740741 0.0740741 -0.0740741), wk = 0.0038314 k( 112) = ( 0.0925926 0.0925926 -0.0925926), wk = 0.0038314 k( 113) = ( 0.1111111 0.1111111 -0.1111111), wk = 0.0038314 k( 114) = ( 0.1296296 0.1296296 -0.1296296), wk = 0.0038314 k( 115) = ( 0.1481482 0.1481482 -0.1481481), wk = 0.0038314 k( 116) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0038314 k( 117) = ( 0.1851852 0.1851852 -0.1851852), wk = 0.0038314 k( 118) = ( 0.2037037 0.2037037 -0.2037037), wk = 0.0038314 k( 119) = ( 0.2222222 0.2222222 -0.2222222), wk = 0.0038314 k( 120) = ( 0.2407407 0.2407407 -0.2407407), wk = 0.0038314 k( 121) = ( 0.2592593 0.2592593 -0.2592593), wk = 0.0038314 k( 122) = ( 0.2777778 0.2777778 -0.2777778), wk = 0.0038314 k( 123) = ( 0.2962963 0.2962963 -0.2962963), wk = 0.0038314 k( 124) = ( 0.3148148 0.3148148 -0.3148148), wk = 0.0038314 k( 125) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0038314 k( 126) = ( 0.3518519 0.3518519 -0.3518519), wk = 0.0038314 k( 127) = ( 0.3703704 0.3703704 -0.3703704), wk = 0.0038314 k( 128) = ( 0.3888889 0.3888889 -0.3888889), wk = 0.0038314 k( 129) = ( 0.4074074 0.4074074 -0.4074074), wk = 0.0038314 k( 130) = ( 0.4259259 0.4259259 -0.4259259), wk = 0.0038314 k( 131) = ( 0.4444444 0.4444444 -0.4444444), wk = 0.0038314 k( 132) = ( 0.4629630 0.4629630 -0.4629630), wk = 0.0038314 k( 133) = ( 0.4814815 0.4814815 -0.4814815), wk = 0.0038314 k( 134) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0038314 k( 135) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0038314 k( 136) = ( 0.4907038 0.5092961 -0.4907038), wk = 0.0038314 k( 137) = ( 0.4814077 0.5185923 -0.4814077), wk = 0.0038314 k( 138) = ( 0.4721116 0.5278884 -0.4721116), wk = 0.0038314 k( 139) = ( 0.4628154 0.5371846 -0.4628154), wk = 0.0038314 k( 140) = ( 0.4535193 0.5464807 -0.4535193), wk = 0.0038314 k( 141) = ( 0.4442231 0.5557769 -0.4442231), wk = 0.0038314 k( 142) = ( 0.4349270 0.5650730 -0.4349270), wk = 0.0038314 k( 143) = ( 0.4256308 0.5743692 -0.4256308), wk = 0.0038314 k( 144) = ( 0.4163347 0.5836653 -0.4163347), wk = 0.0038314 k( 145) = ( 0.4070385 0.5929615 -0.4070385), wk = 0.0038314 k( 146) = ( 0.3977424 0.6022576 -0.3977424), wk = 0.0038314 k( 147) = ( 0.3884462 0.6115538 -0.3884462), wk = 0.0038314 k( 148) = ( 0.3791501 0.6208499 -0.3791501), wk = 0.0038314 k( 149) = ( 0.3698540 0.6301460 -0.3698540), wk = 0.0038314 k( 150) = ( 0.3605578 0.6394422 -0.3605578), wk = 0.0038314 k( 151) = ( 0.3512617 0.6487383 -0.3512617), wk = 0.0038314 k( 152) = ( 0.3419655 0.6580345 -0.3419655), wk = 0.0038314 k( 153) = ( 0.3326694 0.6673306 -0.3326694), wk = 0.0038314 k( 154) = ( 0.3233732 0.6766268 -0.3233732), wk = 0.0038314 k( 155) = ( 0.3140771 0.6859229 -0.3140771), wk = 0.0038314 k( 156) = ( 0.3140771 0.6859229 -0.3140771), wk = 0.0038314 k( 157) = ( 0.2931386 0.6735281 -0.2931386), wk = 0.0038314 k( 158) = ( 0.2722001 0.6611332 -0.2722001), wk = 0.0038314 k( 159) = ( 0.2512617 0.6487383 -0.2512617), wk = 0.0038314 k( 160) = ( 0.2303232 0.6363435 -0.2303232), wk = 0.0038314 k( 161) = ( 0.2093847 0.6239486 -0.2093847), wk = 0.0038314 k( 162) = ( 0.1884463 0.6115538 -0.1884462), wk = 0.0038314 k( 163) = ( 0.1675078 0.5991589 -0.1675078), wk = 0.0038314 k( 164) = ( 0.1465693 0.5867640 -0.1465693), wk = 0.0038314 k( 165) = ( 0.1256308 0.5743692 -0.1256308), wk = 0.0038314 k( 166) = ( 0.1046924 0.5619743 -0.1046924), wk = 0.0038314 k( 167) = ( 0.0837539 0.5495794 -0.0837539), wk = 0.0038314 k( 168) = ( 0.0628154 0.5371846 -0.0628154), wk = 0.0038314 k( 169) = ( 0.0418770 0.5247897 -0.0418769), wk = 0.0038314 k( 170) = ( 0.0209385 0.5123949 -0.0209385), wk = 0.0038314 k( 171) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0038314 k( 172) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0038314 k( 173) = ( 0.0092593 0.4907407 0.0092593), wk = 0.0038314 k( 174) = ( 0.0185185 0.4814815 0.0185185), wk = 0.0038314 k( 175) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0038314 k( 176) = ( 0.0370370 0.4629630 0.0370370), wk = 0.0038314 k( 177) = ( 0.0462963 0.4537037 0.0462963), wk = 0.0038314 k( 178) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0038314 k( 179) = ( 0.0648148 0.4351852 0.0648148), wk = 0.0038314 k( 180) = ( 0.0740741 0.4259259 0.0740741), wk = 0.0038314 k( 181) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0038314 k( 182) = ( 0.0925926 0.4074074 0.0925926), wk = 0.0038314 k( 183) = ( 0.1018518 0.3981482 0.1018518), wk = 0.0038314 k( 184) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0038314 k( 185) = ( 0.1203704 0.3796296 0.1203704), wk = 0.0038314 k( 186) = ( 0.1296296 0.3703704 0.1296296), wk = 0.0038314 k( 187) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0038314 k( 188) = ( 0.1481482 0.3518519 0.1481482), wk = 0.0038314 k( 189) = ( 0.1574074 0.3425926 0.1574074), wk = 0.0038314 k( 190) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0038314 k( 191) = ( 0.1759259 0.3240741 0.1759259), wk = 0.0038314 k( 192) = ( 0.1851852 0.3148148 0.1851852), wk = 0.0038314 k( 193) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0038314 k( 194) = ( 0.2037037 0.2962963 0.2037037), wk = 0.0038314 k( 195) = ( 0.2129630 0.2870370 0.2129630), wk = 0.0038314 k( 196) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0038314 k( 197) = ( 0.2314815 0.2685185 0.2314815), wk = 0.0038314 k( 198) = ( 0.2407407 0.2592593 0.2407407), wk = 0.0038314 k( 199) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0038314 k( 200) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0038314 k( 201) = ( 0.2647059 0.2647059 0.2277556), wk = 0.0038314 k( 202) = ( 0.2794118 0.2794118 0.2055113), wk = 0.0038314 k( 203) = ( 0.2941177 0.2941177 0.1832669), wk = 0.0038314 k( 204) = ( 0.3088235 0.3088235 0.1610226), wk = 0.0038314 k( 205) = ( 0.3235294 0.3235294 0.1387782), wk = 0.0038314 k( 206) = ( 0.3382353 0.3382353 0.1165338), wk = 0.0038314 k( 207) = ( 0.3529412 0.3529412 0.0942895), wk = 0.0038314 k( 208) = ( 0.3676471 0.3676471 0.0720451), wk = 0.0038314 k( 209) = ( 0.3823529 0.3823529 0.0498007), wk = 0.0038314 k( 210) = ( 0.3970588 0.3970588 0.0275564), wk = 0.0038314 k( 211) = ( 0.4117647 0.4117647 0.0053120), wk = 0.0038314 k( 212) = ( 0.4264706 0.4264706 -0.0169324), wk = 0.0038314 k( 213) = ( 0.4411765 0.4411765 -0.0391767), wk = 0.0038314 k( 214) = ( 0.4558823 0.4558824 -0.0614211), wk = 0.0038314 k( 215) = ( 0.4705882 0.4705882 -0.0836655), wk = 0.0038314 k( 216) = ( 0.4852941 0.4852941 -0.1059098), wk = 0.0038314 k( 217) = ( 0.5000000 0.5000000 -0.1281542), wk = 0.0038314 k( 218) = ( 0.5000000 0.5000000 -0.1281542), wk = 0.0038314 k( 219) = ( 0.5000000 0.5000000 -0.1414344), wk = 0.0038314 k( 220) = ( 0.5000000 0.5000000 -0.1547146), wk = 0.0038314 k( 221) = ( 0.5000000 0.5000000 -0.1679948), wk = 0.0038314 k( 222) = ( 0.5000000 0.5000000 -0.1812750), wk = 0.0038314 k( 223) = ( 0.5000000 0.5000000 -0.1945552), wk = 0.0038314 k( 224) = ( 0.5000000 0.5000000 -0.2078354), wk = 0.0038314 k( 225) = ( 0.5000000 0.5000000 -0.2211156), wk = 0.0038314 k( 226) = ( 0.5000000 0.5000000 -0.2343958), wk = 0.0038314 k( 227) = ( 0.5000000 0.5000000 -0.2476761), wk = 0.0038314 k( 228) = ( 0.5000000 0.5000000 -0.2609563), wk = 0.0038314 k( 229) = ( 0.5000000 0.5000000 -0.2742365), wk = 0.0038314 k( 230) = ( 0.5000000 0.5000000 -0.2875167), wk = 0.0038314 k( 231) = ( 0.5000000 0.5000000 -0.3007969), wk = 0.0038314 k( 232) = ( 0.5000000 0.5000000 -0.3140771), wk = 0.0038314 k( 233) = ( 0.5000000 0.5000000 -0.3273573), wk = 0.0038314 k( 234) = ( 0.5000000 0.5000000 -0.3406375), wk = 0.0038314 k( 235) = ( 0.5000000 0.5000000 -0.3539177), wk = 0.0038314 k( 236) = ( 0.5000000 0.5000000 -0.3671979), wk = 0.0038314 k( 237) = ( 0.5000000 0.5000000 -0.3804781), wk = 0.0038314 k( 238) = ( 0.5000000 0.5000000 -0.3937583), wk = 0.0038314 k( 239) = ( 0.5000000 0.5000000 -0.4070385), wk = 0.0038314 k( 240) = ( 0.5000000 0.5000000 -0.4203188), wk = 0.0038314 k( 241) = ( 0.5000000 0.5000000 -0.4335990), wk = 0.0038314 k( 242) = ( 0.5000000 0.5000000 -0.4468792), wk = 0.0038314 k( 243) = ( 0.5000000 0.5000000 -0.4601594), wk = 0.0038314 k( 244) = ( 0.5000000 0.5000000 -0.4734396), wk = 0.0038314 k( 245) = ( 0.5000000 0.5000000 -0.4867198), wk = 0.0038314 k( 246) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0038314 k( 247) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038314 k( 248) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0038314 k( 249) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0038314 k( 250) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0038314 k( 251) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0038314 k( 252) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0038314 k( 253) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0038314 k( 254) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0038314 k( 255) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0038314 k( 256) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0038314 k( 257) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0038314 k( 258) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0038314 k( 259) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0038314 k( 260) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0038314 k( 261) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0038314 Dense grid: 87751 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 60005 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 220, 62) NL pseudopotentials 0.46 Mb ( 110, 272) Each V/rho on FFT grid 0.08 Mb ( 5184) Each G-vector array 0.01 Mb ( 1221) G-vector shells 0.00 Mb ( 582) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.83 Mb ( 220, 248) Each subspace H/S matrix 0.03 Mb ( 41, 41) Each matrix 0.51 Mb ( 272, 2, 62) The potential is recalculated from file : ./AlCuTe2.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.8 secs Computing kpt #: 2 total cpu time spent up to now is 6.0 secs Computing kpt #: 3 total cpu time spent up to now is 7.1 secs Computing kpt #: 4 total cpu time spent up to now is 8.3 secs Computing kpt #: 5 total cpu time spent up to now is 9.4 secs Computing kpt #: 6 total cpu time spent up to now is 10.5 secs Computing kpt #: 7 total cpu time spent up to now is 11.7 secs Computing kpt #: 8 total cpu time spent up to now is 12.8 secs Computing kpt #: 9 total cpu time spent up to now is 13.9 secs Computing kpt #: 10 total cpu time spent up to now is 15.1 secs Computing kpt #: 11 total cpu time spent up to now is 16.3 secs Computing kpt #: 12 total cpu time spent up to now is 17.5 secs Computing kpt #: 13 total cpu time spent up to now is 18.7 secs Computing kpt #: 14 total cpu time spent up to now is 19.9 secs Computing kpt #: 15 total cpu time spent up to now is 21.0 secs Computing kpt #: 16 total cpu time spent up to now is 22.3 secs Computing kpt #: 17 total cpu time spent up to now is 23.7 secs Computing kpt #: 18 total cpu time spent up to now is 25.1 secs Computing kpt #: 19 total cpu time spent up to now is 26.4 secs Computing kpt #: 20 total cpu time spent up to now is 27.7 secs Computing kpt #: 21 total cpu time spent up to now is 29.1 secs Computing kpt #: 22 total cpu time spent up to now is 30.5 secs Computing kpt #: 23 total cpu time spent up to now is 31.9 secs Computing kpt #: 24 total cpu time spent up to now is 33.4 secs Computing kpt #: 25 total cpu time spent up to now is 34.8 secs Computing kpt #: 26 total cpu time spent up to now is 36.2 secs Computing kpt #: 27 total cpu time spent up to now is 37.6 secs Computing kpt #: 28 total cpu time spent up to now is 38.9 secs Computing kpt #: 29 total cpu time spent up to now is 40.3 secs Computing kpt #: 30 total cpu time spent up to now is 41.7 secs Computing kpt #: 31 total cpu time spent up to now is 43.2 secs Computing kpt #: 32 total cpu time spent up to now is 44.6 secs Computing kpt #: 33 total cpu time spent up to now is 46.1 secs Computing kpt #: 34 total cpu time spent up to now is 47.5 secs Computing kpt #: 35 total cpu time spent up to now is 49.0 secs Computing kpt #: 36 total cpu time spent up to now is 50.6 secs Computing kpt #: 37 total cpu time spent up to now is 52.1 secs Computing kpt #: 38 total cpu time spent up to now is 54.9 secs Computing kpt #: 39 total cpu time spent up to now is 56.5 secs Computing kpt #: 40 total cpu time spent up to now is 58.6 secs Computing kpt #: 41 total cpu time spent up to now is 60.1 secs Computing kpt #: 42 total cpu time spent up to now is 61.7 secs Computing kpt #: 43 total cpu time spent up to now is 63.1 secs Computing kpt #: 44 total cpu time spent up to now is 64.5 secs Computing kpt #: 45 total cpu time spent up to now is 65.9 secs Computing kpt #: 46 total cpu time spent up to now is 67.4 secs Computing kpt #: 47 total cpu time spent up to now is 68.6 secs Computing kpt #: 48 total cpu time spent up to now is 69.9 secs Computing kpt #: 49 total cpu time spent up to now is 71.3 secs Computing kpt #: 50 total cpu time spent up to now is 72.7 secs Computing kpt #: 51 total cpu time spent up to now is 74.1 secs Computing kpt #: 52 total cpu time spent up to now is 75.6 secs Computing kpt #: 53 total cpu time spent up to now is 77.0 secs Computing kpt #: 54 total cpu time spent up to now is 78.4 secs Computing kpt #: 55 total cpu time spent up to now is 79.9 secs Computing kpt #: 56 total cpu time spent up to now is 81.4 secs Computing kpt #: 57 total cpu time spent up to now is 82.9 secs Computing kpt #: 58 total cpu time spent up to now is 84.4 secs Computing kpt #: 59 total cpu time spent up to now is 85.8 secs Computing kpt #: 60 total cpu time spent up to now is 87.4 secs Computing kpt #: 61 total cpu time spent up to now is 88.8 secs Computing kpt #: 62 total cpu time spent up to now is 90.4 secs Computing kpt #: 63 total cpu time spent up to now is 92.0 secs Computing kpt #: 64 total cpu time spent up to now is 93.6 secs Computing kpt #: 65 total cpu time spent up to now is 95.1 secs Computing kpt #: 66 total cpu time spent up to now is 96.7 secs Computing kpt #: 67 total cpu time spent up to now is 98.2 secs Computing kpt #: 68 total cpu time spent up to now is 99.7 secs Computing kpt #: 69 total cpu time spent up to now is 101.2 secs Computing kpt #: 70 total cpu time spent up to now is 103.5 secs Computing kpt #: 71 total cpu time spent up to now is 106.2 secs Computing kpt #: 72 total cpu time spent up to now is 108.4 secs Computing kpt #: 73 total cpu time spent up to now is 109.8 secs Computing kpt #: 74 total cpu time spent up to now is 111.5 secs Computing kpt #: 75 total cpu time spent up to now is 112.9 secs Computing kpt #: 76 total cpu time spent up to now is 114.3 secs Computing kpt #: 77 total cpu time spent up to now is 115.7 secs Computing kpt #: 78 total cpu time spent up to now is 116.9 secs Computing kpt #: 79 total cpu time spent up to now is 118.1 secs Computing kpt #: 80 total cpu time spent up to now is 119.3 secs Computing kpt #: 81 total cpu time spent up to now is 120.5 secs Computing kpt #: 82 total cpu time spent up to now is 121.7 secs Computing kpt #: 83 total cpu time spent up to now is 123.0 secs Computing kpt #: 84 total cpu time spent up to now is 124.3 secs Computing kpt #: 85 total cpu time spent up to now is 125.4 secs Computing kpt #: 86 total cpu time spent up to now is 126.7 secs Computing kpt #: 87 total cpu time spent up to now is 128.1 secs Computing kpt #: 88 total cpu time spent up to now is 129.4 secs Computing kpt #: 89 total cpu time spent up to now is 130.8 secs Computing kpt #: 90 total cpu time spent up to now is 132.2 secs Computing kpt #: 91 total cpu time spent up to now is 133.5 secs Computing kpt #: 92 total cpu time spent up to now is 134.8 secs Computing kpt #: 93 total cpu time spent up to now is 136.0 secs Computing kpt #: 94 total cpu time spent up to now is 137.2 secs Computing kpt #: 95 total cpu time spent up to now is 138.4 secs Computing kpt #: 96 total cpu time spent up to now is 139.6 secs Computing kpt #: 97 total cpu time spent up to now is 140.7 secs Computing kpt #: 98 total cpu time spent up to now is 141.9 secs Computing kpt #: 99 total cpu time spent up to now is 143.0 secs Computing kpt #: 100 total cpu time spent up to now is 144.1 secs Computing kpt #: 101 total cpu time spent up to now is 145.3 secs Computing kpt #: 102 total cpu time spent up to now is 146.4 secs Computing kpt #: 103 total cpu time spent up to now is 147.6 secs Computing kpt #: 104 total cpu time spent up to now is 148.8 secs Computing kpt #: 105 total cpu time spent up to now is 149.9 secs Computing kpt #: 106 total cpu time spent up to now is 151.1 secs Computing kpt #: 107 total cpu time spent up to now is 152.3 secs Computing kpt #: 108 total cpu time spent up to now is 153.4 secs Computing kpt #: 109 total cpu time spent up to now is 154.6 secs Computing kpt #: 110 total cpu time spent up to now is 155.8 secs Computing kpt #: 111 total cpu time spent up to now is 157.0 secs Computing kpt #: 112 total cpu time spent up to now is 158.3 secs Computing kpt #: 113 total cpu time spent up to now is 159.7 secs Computing kpt #: 114 total cpu time spent up to now is 161.0 secs Computing kpt #: 115 total cpu time spent up to now is 162.3 secs Computing kpt #: 116 total cpu time spent up to now is 163.6 secs Computing kpt #: 117 total cpu time spent up to now is 164.9 secs Computing kpt #: 118 total cpu time spent up to now is 166.2 secs Computing kpt #: 119 total cpu time spent up to now is 167.5 secs Computing kpt #: 120 total cpu time spent up to now is 168.8 secs Computing kpt #: 121 total cpu time spent up to now is 170.2 secs Computing kpt #: 122 total cpu time spent up to now is 171.6 secs Computing kpt #: 123 total cpu time spent up to now is 172.9 secs Computing kpt #: 124 total cpu time spent up to now is 174.3 secs Computing kpt #: 125 total cpu time spent up to now is 175.6 secs Computing kpt #: 126 total cpu time spent up to now is 176.9 secs Computing kpt #: 127 total cpu time spent up to now is 178.2 secs Computing kpt #: 128 total cpu time spent up to now is 179.4 secs Computing kpt #: 129 total cpu time spent up to now is 180.6 secs Computing kpt #: 130 total cpu time spent up to now is 181.9 secs Computing kpt #: 131 total cpu time spent up to now is 183.2 secs Computing kpt #: 132 total cpu time spent up to now is 184.7 secs Computing kpt #: 133 total cpu time spent up to now is 186.0 secs Computing kpt #: 134 total cpu time spent up to now is 187.2 secs Computing kpt #: 135 total cpu time spent up to now is 188.3 secs Computing kpt #: 136 total cpu time spent up to now is 190.3 secs Computing kpt #: 137 total cpu time spent up to now is 191.7 secs Computing kpt #: 138 total cpu time spent up to now is 193.0 secs Computing kpt #: 139 total cpu time spent up to now is 194.4 secs Computing kpt #: 140 total cpu time spent up to now is 195.7 secs Computing kpt #: 141 total cpu time spent up to now is 197.1 secs Computing kpt #: 142 total cpu time spent up to now is 198.4 secs Computing kpt #: 143 total cpu time spent up to now is 200.0 secs Computing kpt #: 144 total cpu time spent up to now is 201.5 secs Computing kpt #: 145 total cpu time spent up to now is 202.8 secs Computing kpt #: 146 total cpu time spent up to now is 204.2 secs Computing kpt #: 147 total cpu time spent up to now is 205.6 secs Computing kpt #: 148 total cpu time spent up to now is 206.9 secs Computing kpt #: 149 total cpu time spent up to now is 208.7 secs Computing kpt #: 150 total cpu time spent up to now is 210.1 secs Computing kpt #: 151 total cpu time spent up to now is 211.8 secs Computing kpt #: 152 total cpu time spent up to now is 213.5 secs Computing kpt #: 153 total cpu time spent up to now is 214.9 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 218.1 secs Computing kpt #: 155 total cpu time spent up to now is 221.0 secs Computing kpt #: 156 total cpu time spent up to now is 223.4 secs Computing kpt #: 157 total cpu time spent up to now is 225.4 secs Computing kpt #: 158 total cpu time spent up to now is 226.9 secs Computing kpt #: 159 total cpu time spent up to now is 228.3 secs Computing kpt #: 160 total cpu time spent up to now is 229.7 secs Computing kpt #: 161 total cpu time spent up to now is 231.0 secs Computing kpt #: 162 total cpu time spent up to now is 232.4 secs Computing kpt #: 163 total cpu time spent up to now is 233.8 secs Computing kpt #: 164 total cpu time spent up to now is 235.1 secs Computing kpt #: 165 total cpu time spent up to now is 236.4 secs Computing kpt #: 166 total cpu time spent up to now is 237.8 secs Computing kpt #: 167 total cpu time spent up to now is 239.4 secs Computing kpt #: 168 total cpu time spent up to now is 241.1 secs Computing kpt #: 169 total cpu time spent up to now is 242.6 secs Computing kpt #: 170 total cpu time spent up to now is 244.0 secs Computing kpt #: 171 total cpu time spent up to now is 245.5 secs Computing kpt #: 172 total cpu time spent up to now is 327.7 secs Computing kpt #: 173 total cpu time spent up to now is 329.1 secs Computing kpt #: 174 total cpu time spent up to now is 330.7 secs Computing kpt #: 175 total cpu time spent up to now is 332.1 secs Computing kpt #: 176 total cpu time spent up to now is 333.7 secs Computing kpt #: 177 total cpu time spent up to now is 335.2 secs Computing kpt #: 178 total cpu time spent up to now is 337.3 secs Computing kpt #: 179 total cpu time spent up to now is 339.2 secs Computing kpt #: 180 total cpu time spent up to now is 341.2 secs Computing kpt #: 181 total cpu time spent up to now is 342.7 secs Computing kpt #: 182 total cpu time spent up to now is 344.1 secs Computing kpt #: 183 total cpu time spent up to now is 345.5 secs Computing kpt #: 184 total cpu time spent up to now is 347.1 secs Computing kpt #: 185 total cpu time spent up to now is 348.5 secs Computing kpt #: 186 total cpu time spent up to now is 349.9 secs Computing kpt #: 187 total cpu time spent up to now is 351.2 secs Computing kpt #: 188 total cpu time spent up to now is 352.6 secs Computing kpt #: 189 total cpu time spent up to now is 353.8 secs Computing kpt #: 190 total cpu time spent up to now is 355.1 secs Computing kpt #: 191 total cpu time spent up to now is 356.3 secs Computing kpt #: 192 total cpu time spent up to now is 357.4 secs Computing kpt #: 193 total cpu time spent up to now is 358.6 secs Computing kpt #: 194 total cpu time spent up to now is 359.9 secs Computing kpt #: 195 total cpu time spent up to now is 361.0 secs Computing kpt #: 196 total cpu time spent up to now is 362.2 secs Computing kpt #: 197 total cpu time spent up to now is 363.7 secs Computing kpt #: 198 total cpu time spent up to now is 365.2 secs Computing kpt #: 199 total cpu time spent up to now is 366.8 secs Computing kpt #: 200 total cpu time spent up to now is 368.6 secs Computing kpt #: 201 total cpu time spent up to now is 370.1 secs Computing kpt #: 202 total cpu time spent up to now is 371.6 secs Computing kpt #: 203 total cpu time spent up to now is 372.9 secs Computing kpt #: 204 total cpu time spent up to now is 411.9 secs Computing kpt #: 205 total cpu time spent up to now is 413.3 secs Computing kpt #: 206 total cpu time spent up to now is 414.6 secs Computing kpt #: 207 total cpu time spent up to now is 416.0 secs Computing kpt #: 208 total cpu time spent up to now is 417.3 secs Computing kpt #: 209 total cpu time spent up to now is 418.7 secs Computing kpt #: 210 total cpu time spent up to now is 420.0 secs Computing kpt #: 211 total cpu time spent up to now is 421.4 secs Computing kpt #: 212 total cpu time spent up to now is 422.7 secs Computing kpt #: 213 total cpu time spent up to now is 424.0 secs Computing kpt #: 214 total cpu time spent up to now is 425.5 secs Computing kpt #: 215 total cpu time spent up to now is 426.9 secs Computing kpt #: 216 total cpu time spent up to now is 428.2 secs Computing kpt #: 217 total cpu time spent up to now is 429.6 secs Computing kpt #: 218 total cpu time spent up to now is 430.9 secs Computing kpt #: 219 total cpu time spent up to now is 432.4 secs Computing kpt #: 220 total cpu time spent up to now is 433.9 secs Computing kpt #: 221 total cpu time spent up to now is 435.3 secs Computing kpt #: 222 total cpu time spent up to now is 436.7 secs Computing kpt #: 223 total cpu time spent up to now is 456.0 secs Computing kpt #: 224 total cpu time spent up to now is 457.5 secs Computing kpt #: 225 total cpu time spent up to now is 458.9 secs Computing kpt #: 226 total cpu time spent up to now is 460.3 secs Computing kpt #: 227 total cpu time spent up to now is 461.6 secs Computing kpt #: 228 total cpu time spent up to now is 463.0 secs Computing kpt #: 229 total cpu time spent up to now is 464.3 secs Computing kpt #: 230 total cpu time spent up to now is 465.6 secs Computing kpt #: 231 total cpu time spent up to now is 467.0 secs Computing kpt #: 232 total cpu time spent up to now is 468.3 secs Computing kpt #: 233 total cpu time spent up to now is 469.7 secs Computing kpt #: 234 total cpu time spent up to now is 471.5 secs Computing kpt #: 235 total cpu time spent up to now is 472.9 secs Computing kpt #: 236 total cpu time spent up to now is 474.9 secs Computing kpt #: 237 total cpu time spent up to now is 476.8 secs Computing kpt #: 238 total cpu time spent up to now is 478.1 secs Computing kpt #: 239 total cpu time spent up to now is 480.1 secs Computing kpt #: 240 total cpu time spent up to now is 482.1 secs Computing kpt #: 241 total cpu time spent up to now is 483.4 secs Computing kpt #: 242 total cpu time spent up to now is 522.6 secs Computing kpt #: 243 total cpu time spent up to now is 524.5 secs Computing kpt #: 244 total cpu time spent up to now is 526.5 secs Computing kpt #: 245 total cpu time spent up to now is 527.8 secs Computing kpt #: 246 total cpu time spent up to now is 529.0 secs Computing kpt #: 247 total cpu time spent up to now is 530.5 secs Computing kpt #: 248 total cpu time spent up to now is 532.1 secs Computing kpt #: 249 total cpu time spent up to now is 533.6 secs Computing kpt #: 250 total cpu time spent up to now is 535.1 secs Computing kpt #: 251 total cpu time spent up to now is 536.6 secs Computing kpt #: 252 total cpu time spent up to now is 538.2 secs Computing kpt #: 253 total cpu time spent up to now is 540.0 secs Computing kpt #: 254 total cpu time spent up to now is 541.6 secs Computing kpt #: 255 total cpu time spent up to now is 544.2 secs Computing kpt #: 256 total cpu time spent up to now is 546.1 secs Computing kpt #: 257 total cpu time spent up to now is 548.4 secs Computing kpt #: 258 total cpu time spent up to now is 550.0 secs Computing kpt #: 259 total cpu time spent up to now is 551.8 secs Computing kpt #: 260 total cpu time spent up to now is 553.5 secs Computing kpt #: 261 total cpu time spent up to now is 555.3 secs ethr = 1.92E-08, avg # of iterations = 29.3 total cpu time spent up to now is 555.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7513 PWs) bands (ev): -6.5900 -6.5900 -5.0706 -5.0706 -5.0678 -5.0678 -5.0573 -5.0573 -0.5669 -0.5669 0.5513 0.5513 1.3167 1.3167 1.6169 1.6169 2.0089 2.0089 2.2150 2.2150 2.3520 2.3520 2.8766 2.8766 2.9819 2.9819 3.1136 3.1136 3.1892 3.1892 3.2193 3.2193 3.8811 3.8811 3.8894 3.8894 3.9958 3.9958 4.2090 4.2090 4.2897 4.2897 4.3553 4.3553 4.4339 4.4339 5.6603 5.6603 6.1538 6.1538 6.2201 6.2201 7.5460 7.5460 7.5798 7.5798 7.9848 7.9848 9.4118 9.4118 9.4207 9.4207 k = 0.0000 0.0000 0.0226 ( 7503 PWs) bands (ev): -6.5891 -6.5891 -5.0715 -5.0714 -5.0687 -5.0686 -5.0573 -5.0572 -0.5669 -0.5652 0.5447 0.5578 1.3083 1.3249 1.6141 1.6174 2.0070 2.0073 2.2135 2.2214 2.3514 2.3596 2.8721 2.8803 2.9812 2.9812 3.1109 3.1134 3.1867 3.1907 3.2155 3.2245 3.8732 3.8851 3.8917 3.8926 3.9942 3.9981 4.2004 4.2147 4.2848 4.2955 4.3509 4.3607 4.4332 4.4357 5.6535 5.6598 6.1445 6.1475 6.2127 6.2186 7.5566 7.5589 7.5842 7.5858 7.9851 7.9957 9.4096 9.4133 9.4165 9.4242 k = 0.0000 0.0000 0.0452 ( 7505 PWs) bands (ev): -6.5864 -6.5864 -5.0739 -5.0738 -5.0711 -5.0711 -5.0572 -5.0570 -0.5652 -0.5617 0.5380 0.5641 1.2996 1.3323 1.6097 1.6160 2.0016 2.0027 2.2171 2.2314 2.3572 2.3740 2.8669 2.8834 2.9789 2.9792 3.1054 3.1107 3.1833 3.1913 3.2135 3.2310 3.8661 3.8830 3.8966 3.9010 3.9931 4.0008 4.1900 4.2165 4.2793 4.3033 4.3472 4.3672 4.4336 4.4390 5.6387 5.6522 6.1174 6.1268 6.1997 6.2094 7.5888 7.5940 7.5981 7.6016 7.9966 8.0183 9.4053 9.4130 9.4141 9.4264 k = 0.0000 0.0000 0.0678 ( 7503 PWs) bands (ev): -6.5819 -6.5818 -5.0780 -5.0779 -5.0751 -5.0750 -5.0571 -5.0568 -0.5618 -0.5564 0.5311 0.5698 1.2904 1.3381 1.6046 1.6139 1.9940 1.9966 2.2247 2.2431 2.3687 2.3942 2.8612 2.8861 2.9748 2.9757 3.0974 3.1058 3.1788 3.1913 3.2134 3.2386 3.8602 3.8811 3.9012 3.9113 3.9926 4.0039 4.1788 4.2147 4.2721 4.3135 4.3436 4.3747 4.4356 4.4445 5.6149 5.6372 6.0729 6.0935 6.1844 6.1953 7.6192 7.6256 7.6386 7.6480 8.0207 8.0539 9.3978 9.4119 9.4140 9.4278 k = 0.0000 0.0000 0.0904 ( 7487 PWs) bands (ev): -6.5755 -6.5754 -5.0836 -5.0836 -5.0805 -5.0805 -5.0571 -5.0566 -0.5568 -0.5495 0.5239 0.5746 1.2804 1.3412 1.6005 1.6132 1.9858 1.9904 2.2346 2.2543 2.3848 2.4191 2.8556 2.8888 2.9686 2.9706 3.0876 3.0991 3.1735 3.1909 3.2150 3.2470 3.8560 3.8797 3.9062 3.9219 3.9928 4.0076 4.1675 4.2100 4.2630 4.3248 4.3404 4.3830 4.4400 4.4528 5.5810 5.6140 6.0163 6.0522 6.1674 6.1780 7.6454 7.6552 7.7007 7.7156 8.0592 8.1042 9.3879 9.4126 9.4128 9.4289 k = 0.0000 0.0000 0.1130 ( 7483 PWs) bands (ev): -6.5673 -6.5672 -5.0908 -5.0907 -5.0874 -5.0873 -5.0571 -5.0565 -0.5503 -0.5410 0.5162 0.5779 1.2694 1.3401 1.5987 1.6163 1.9785 1.9856 2.2440 2.2627 2.4048 2.4476 2.8509 2.8918 2.9599 2.9636 3.0766 3.0911 3.1677 3.1903 3.2183 3.2563 3.8535 3.8787 3.9116 3.9327 3.9937 4.0118 4.1564 4.2035 4.2521 4.3282 4.3453 4.3921 4.4474 4.4640 5.5364 5.5818 5.9534 6.0080 6.1485 6.1577 7.6739 7.6872 7.7702 7.7921 8.1141 8.1706 9.3757 9.4091 9.4157 9.4305 k = 0.0000 0.0000 0.1356 ( 7471 PWs) bands (ev): -6.5574 -6.5573 -5.0996 -5.0993 -5.0956 -5.0954 -5.0572 -5.0564 -0.5424 -0.5311 0.5076 0.5794 1.2572 1.3336 1.6004 1.6253 1.9736 1.9834 2.2505 2.2658 2.4284 2.4785 2.8481 2.8956 2.9484 2.9545 3.0650 3.0823 3.1616 3.1899 3.2230 3.2664 3.8530 3.8780 3.9174 3.9436 3.9955 4.0163 4.1458 4.1957 4.2403 4.3223 4.3593 4.4023 4.4582 4.4780 5.4815 5.5394 5.8896 5.9642 6.1279 6.1347 7.7028 7.7189 7.8430 7.8731 8.1866 8.2537 9.3613 9.4032 9.4207 9.4332 k = 0.0000 0.0000 0.1582 ( 7481 PWs) bands (ev): -6.5457 -6.5455 -5.1098 -5.1093 -5.1051 -5.1047 -5.0575 -5.0565 -0.5333 -0.5198 0.4980 0.5784 1.2440 1.3218 1.6066 1.6412 1.9721 1.9846 2.2517 2.2618 2.4551 2.5112 2.8480 2.9001 2.9341 2.9432 3.0532 3.0731 3.1557 3.1897 3.2291 3.2771 3.8545 3.8777 3.9235 3.9544 3.9984 4.0214 4.1357 4.1874 4.2280 4.3141 4.3753 4.4139 4.4724 4.4944 5.4178 5.4867 5.8283 5.9222 6.1058 6.1096 7.7312 7.7492 7.9157 7.9550 8.2768 8.3531 9.3447 9.3946 9.4281 9.4374 k = 0.0000 0.0000 0.1808 ( 7465 PWs) bands (ev): -6.5322 -6.5321 -5.1213 -5.1206 -5.1157 -5.1152 -5.0579 -5.0567 -0.5231 -0.5074 0.4871 0.5745 1.2302 1.3051 1.6176 1.6641 1.9749 1.9895 2.2462 2.2497 2.4847 2.5448 2.8510 2.9028 2.9195 2.9302 3.0415 3.0644 3.1505 3.1902 3.2364 3.2882 3.8581 3.8777 3.9299 3.9650 4.0024 4.0268 4.1265 4.1789 4.2164 4.3052 4.3923 4.4273 4.4899 4.5128 5.3477 5.4247 5.7709 5.8817 6.0829 6.0831 7.7590 7.7777 7.9858 8.0350 8.3833 8.4675 9.3256 9.3832 9.4379 9.4431 k = 0.0000 0.0000 0.2034 ( 7469 PWs) bands (ev): -6.5170 -6.5169 -5.1339 -5.1331 -5.1273 -5.1267 -5.0585 -5.0572 -0.5120 -0.4940 0.4746 0.5673 1.2162 1.2849 1.6336 1.6932 1.9824 1.9978 2.2298 2.2335 2.5162 2.5788 2.8557 2.8894 2.9168 2.9186 3.0301 3.0566 3.1462 3.1913 3.2446 3.2996 3.8637 3.8778 3.9367 3.9749 4.0079 4.0326 4.1180 4.1706 4.2061 4.2962 4.4101 4.4425 4.5099 4.5328 5.2740 5.3558 5.7172 5.8414 6.0561 6.0595 7.7862 7.8049 8.0515 8.1109 8.5042 8.5954 9.3044 9.3687 9.4503 9.4504 k = 0.0000 0.0000 0.2260 ( 7479 PWs) bands (ev): -6.5002 -6.5000 -5.1477 -5.1468 -5.1399 -5.1392 -5.0595 -5.0580 -0.5002 -0.4798 0.4604 0.5565 1.2026 1.2625 1.6543 1.7275 1.9949 2.0077 2.2047 2.2138 2.5490 2.6123 2.8570 2.8651 2.9075 2.9257 3.0192 3.0502 3.1430 3.1932 3.2539 3.3109 3.8711 3.8781 3.9438 3.9839 4.0150 4.0387 4.1106 4.1626 4.1980 4.2875 4.4289 4.4597 4.5322 4.5541 5.1992 5.2831 5.6661 5.8000 6.0295 6.0361 7.8133 7.8314 8.1118 8.1813 8.6373 8.7349 9.2811 9.3513 9.4590 9.4652 k = 0.0000 0.0000 0.2486 ( 7479 PWs) bands (ev): -6.4816 -6.4814 -5.1625 -5.1614 -5.1532 -5.1526 -5.0608 -5.0592 -0.4879 -0.4650 0.4444 0.5423 1.1899 1.2388 1.6793 1.7659 2.0125 2.0147 2.1802 2.1881 2.5820 2.6447 2.8369 2.8469 2.9096 2.9339 3.0092 3.0459 3.1411 3.1960 3.2638 3.3218 3.8786 3.8801 3.9514 3.9915 4.0239 4.0449 4.1044 4.1552 4.1927 4.2798 4.4487 4.4789 4.5561 4.5762 5.1255 5.2092 5.6164 5.7566 6.0039 6.0129 7.8406 7.8578 8.1662 8.2451 8.7801 8.8842 9.2560 9.3307 9.4687 9.4824 k = 0.0000 0.0000 0.2712 ( 7475 PWs) bands (ev): -6.4615 -6.4613 -5.1781 -5.1770 -5.1673 -5.1667 -5.0625 -5.0608 -0.4753 -0.4499 0.4267 0.5246 1.1786 1.2148 1.7078 1.8070 2.0097 2.0347 2.1580 2.1672 2.6141 2.6746 2.8063 2.8274 2.9208 2.9417 3.0006 3.0440 3.1404 3.1997 3.2744 3.3319 3.8793 3.8902 3.9597 3.9974 4.0344 4.0510 4.0994 4.1487 4.1910 4.2733 4.4698 4.5001 4.5810 4.5989 5.0547 5.1365 5.5677 5.7108 5.9798 5.9902 7.8685 7.8846 8.2144 8.3018 8.9297 9.0411 9.2303 9.3071 9.4787 9.5015 k = 0.0000 0.0000 0.2938 ( 7473 PWs) bands (ev): -6.4398 -6.4395 -5.1944 -5.1932 -5.1820 -5.1813 -5.0648 -5.0629 -0.4624 -0.4345 0.4072 0.5038 1.1689 1.1911 1.7384 1.8493 1.9855 2.0595 2.1270 2.1746 2.6432 2.6991 2.7760 2.8060 2.9348 2.9483 2.9943 3.0446 3.1408 3.2042 3.2854 3.3409 3.8801 3.9008 3.9688 4.0014 4.0466 4.0568 4.0959 4.1433 4.1934 4.2686 4.4921 4.5231 4.6064 4.6215 4.9885 5.0668 5.5200 5.6627 5.9571 5.9679 7.8972 7.9120 8.2566 8.3515 9.0775 9.2022 9.2102 9.2816 9.4881 9.5220 k = 0.0000 0.0000 0.3164 ( 7473 PWs) bands (ev): -6.4165 -6.4163 -5.2113 -5.2101 -5.1972 -5.1965 -5.0676 -5.0657 -0.4496 -0.4193 0.3861 0.4803 1.1613 1.1680 1.7684 1.8906 1.9479 2.0691 2.1145 2.1992 2.6629 2.7106 2.7531 2.7924 2.9479 2.9533 2.9914 3.0475 3.1423 3.2095 3.2965 3.3485 3.8811 3.9113 3.9789 4.0034 4.0602 4.0618 4.0937 4.1393 4.2003 4.2663 4.5156 4.5478 4.6314 4.6432 4.9282 5.0014 5.4737 5.6130 5.9358 5.9461 7.9268 7.9403 8.2932 8.3940 9.1442 9.2476 9.2721 9.3698 9.4965 9.5433 k = 0.0000 0.0000 0.3390 ( 7475 PWs) bands (ev): -6.3918 -6.3915 -5.2287 -5.2275 -5.2127 -5.2120 -5.0712 -5.0691 -0.4369 -0.4042 0.3635 0.4545 1.1459 1.1560 1.7908 1.9099 1.9267 2.0441 2.1430 2.2343 2.6602 2.7006 2.7522 2.7963 2.9570 2.9572 2.9940 3.0522 3.1447 3.2155 3.3075 3.3544 3.8823 3.9210 3.9900 4.0036 4.0657 4.0749 4.0927 4.1368 4.2117 4.2671 4.5403 4.5737 4.6552 4.6627 4.8758 4.9413 5.4299 5.5627 5.9157 5.9248 7.9575 7.9695 8.3244 8.4297 9.1210 9.2149 9.4201 9.4830 9.5483 9.5643 k = 0.0000 0.0000 0.3616 ( 7479 PWs) bands (ev): -6.3656 -6.3653 -5.2464 -5.2452 -5.2284 -5.2277 -5.0755 -5.0734 -0.4245 -0.3895 0.3398 0.4270 1.1249 1.1530 1.7868 1.8931 1.9478 2.0209 2.1837 2.2759 2.6395 2.6779 2.7710 2.8102 2.9597 2.9624 3.0020 3.0579 3.1482 3.2222 3.3182 3.3583 3.8837 3.9295 4.0016 4.0023 4.0682 4.0887 4.0947 4.1359 4.2277 4.2720 4.5659 4.6004 4.6769 4.6777 4.8337 4.8873 5.3898 5.5130 5.8964 5.9037 7.9893 7.9997 8.3507 8.4590 9.0876 9.1782 9.4870 9.5608 9.5852 9.6256 k = 0.0000 0.0000 0.3842 ( 7487 PWs) bands (ev): -6.3381 -6.3378 -5.2644 -5.2632 -5.2442 -5.2435 -5.0807 -5.0785 -0.4125 -0.3754 0.3151 0.3981 1.1051 1.1525 1.7505 1.9034 1.9388 2.0184 2.2302 2.3218 2.6176 2.6537 2.7956 2.8241 2.9622 2.9670 3.0124 3.0640 3.1525 3.2292 3.3282 3.3601 3.8853 3.9366 3.9999 4.0132 4.0695 4.0918 4.1089 4.1361 4.2479 4.2820 4.5921 4.6268 4.6847 4.6954 4.8059 4.8402 5.3548 5.4653 5.8779 5.8829 8.0222 8.0308 8.3723 8.4820 9.0504 9.1377 9.4811 9.5945 9.6311 9.6377 k = 0.0000 0.0000 0.4068 ( 7487 PWs) bands (ev): -6.3093 -6.3090 -5.2826 -5.2813 -5.2600 -5.2593 -5.0868 -5.0846 -0.4009 -0.3619 0.2897 0.3682 1.0863 1.1544 1.7026 1.9125 1.9192 2.0217 2.2816 2.3704 2.6032 2.6342 2.8204 2.8338 2.9652 2.9739 3.0227 3.0700 3.1576 3.2366 3.3373 3.3597 3.8871 3.9424 3.9968 4.0238 4.0699 4.0931 4.1257 4.1368 4.2721 4.2980 4.6184 4.6493 4.6846 4.7095 4.7947 4.8009 5.3265 5.4214 5.8599 5.8624 8.0562 8.0627 8.3894 8.4990 9.0104 9.0933 9.4729 9.5936 9.6375 9.6427 k = 0.0000 0.0000 0.4294 ( 7491 PWs) bands (ev): -6.2792 -6.2789 -5.3007 -5.2995 -5.2757 -5.2750 -5.0939 -5.0917 -0.3897 -0.3491 0.2637 0.3378 1.0684 1.1584 1.6534 1.8843 1.9282 2.0139 2.3368 2.4210 2.6002 2.6233 2.8380 2.8430 2.9697 2.9839 3.0320 3.0756 3.1635 3.2440 3.3451 3.3569 3.8891 3.9472 3.9934 4.0329 4.0698 4.0948 4.1374 4.1423 4.3001 4.3207 4.6438 4.6546 4.6948 4.7172 4.7714 4.7950 5.3061 5.3830 5.8421 5.8423 8.0911 8.0951 8.4019 8.5100 8.9674 9.0449 9.4640 9.5784 9.6430 9.6502 k = 0.0000 0.0000 0.4520 ( 7507 PWs) bands (ev): -6.2480 -6.2477 -5.3188 -5.3176 -5.2910 -5.2904 -5.1022 -5.0999 -0.3790 -0.3371 0.2374 0.3071 1.0514 1.1638 1.6068 1.8588 1.9259 1.9911 2.3948 2.4725 2.6094 2.6236 2.8369 2.8620 2.9768 2.9965 3.0399 3.0807 3.1700 3.2513 3.3513 3.3520 3.8911 3.9510 3.9898 4.0401 4.0699 4.0969 4.1372 4.1576 4.3317 4.3502 4.6479 4.6651 4.7163 4.7168 4.7561 4.7996 5.2946 5.3518 5.8220 5.8251 8.1267 8.1277 8.4097 8.5151 8.9214 8.9921 9.4548 9.5560 9.6462 9.6589 k = 0.0000 0.0000 0.4747 ( 7509 PWs) bands (ev): -6.2157 -6.2154 -5.3368 -5.3356 -5.3060 -5.3055 -5.1116 -5.1094 -0.3687 -0.3257 0.2110 0.2764 1.0350 1.1698 1.5654 1.8375 1.9105 1.9548 2.4545 2.5244 2.6287 2.6356 2.8311 2.8761 2.9877 3.0104 3.0465 3.0852 3.1770 3.2584 3.3449 3.3556 3.8933 3.9544 3.9862 4.0454 4.0706 4.0995 4.1364 4.1711 4.3667 4.3860 4.6442 4.6715 4.7199 4.7366 4.7544 4.8053 5.2919 5.3294 5.8023 5.8082 8.1599 8.1627 8.4126 8.5138 8.8724 8.9351 9.4447 9.5286 9.6468 9.6670 k = 0.0000 0.0000 0.4973 ( 7513 PWs) bands (ev): -6.1825 -6.1821 -5.3545 -5.3533 -5.3206 -5.3200 -5.1222 -5.1201 -0.3588 -0.3151 0.1846 0.2459 1.0192 1.1747 1.5314 1.8207 1.8828 1.9087 2.5148 2.5763 2.6546 2.6579 2.8216 2.8852 3.0026 3.0246 3.0519 3.0893 3.1845 3.2652 3.3358 3.3577 3.8955 3.9577 3.9826 4.0491 4.0721 4.1026 4.1348 4.1822 4.4051 4.4277 4.6471 4.6601 4.7358 4.7498 4.7603 4.8142 5.2972 5.3164 5.7829 5.7918 8.1906 8.1986 8.4102 8.5059 8.8207 8.8740 9.4327 9.4964 9.6455 9.6752 k = 0.0000 0.0000 0.5199 ( 7509 PWs) bands (ev): -6.1483 -6.1480 -5.3719 -5.3708 -5.3345 -5.3340 -5.1342 -5.1320 -0.3491 -0.3050 0.1585 0.2158 1.0039 1.1767 1.5073 1.8053 1.8447 1.8598 2.5747 2.6276 2.6831 2.6871 2.8090 2.8905 3.0205 3.0380 3.0563 3.0930 3.1924 3.2715 3.3251 3.3575 3.8977 3.9616 3.9791 4.0515 4.0747 4.1062 4.1328 4.1909 4.4466 4.4742 4.6434 4.6560 4.7528 4.7541 4.7741 4.8290 5.3093 5.3128 5.7640 5.7758 8.2180 8.2333 8.4025 8.4909 8.7670 8.8097 9.4176 9.4597 9.6443 9.6843 k = 0.0000 0.0000 0.5425 ( 7515 PWs) bands (ev): -6.1134 -6.1131 -5.3890 -5.3879 -5.3477 -5.3472 -5.1474 -5.1453 -0.3396 -0.2954 0.1326 0.1863 0.9892 1.1739 1.4954 1.7726 1.7989 1.8296 2.6332 2.6779 2.7103 2.7184 2.7956 2.8938 3.0403 3.0501 3.0599 3.0966 3.2005 3.2773 3.3130 3.3550 3.8999 3.9664 3.9756 4.0528 4.0784 4.1101 4.1304 4.1977 4.4907 4.5244 4.6264 4.6662 4.7560 4.7689 4.7942 4.8482 5.3174 5.3265 5.7458 5.7603 8.2389 8.2649 8.3895 8.4685 8.7134 8.7436 9.3982 9.4193 9.6451 9.6953 k = 0.0000 0.0000 0.5651 ( 7511 PWs) bands (ev): -6.0779 -6.0775 -5.4057 -5.4046 -5.3601 -5.3597 -5.1619 -5.1599 -0.3301 -0.2861 0.1072 0.1575 0.9753 1.1657 1.4966 1.7161 1.7479 1.8267 2.6896 2.7241 2.7321 2.7410 2.7920 2.8978 3.0595 3.0605 3.0638 3.1003 3.2088 3.2822 3.3005 3.3504 3.9020 3.9723 3.9726 4.0535 4.0831 4.1146 4.1282 4.2033 4.5367 4.5741 4.6134 4.6690 4.7682 4.7880 4.8166 4.8695 5.3287 5.3476 5.7285 5.7454 8.2478 8.2892 8.3720 8.4393 8.6638 8.6791 9.3742 9.3767 9.6497 9.7087 k = 0.0000 0.0000 0.5877 ( 7507 PWs) bands (ev): -6.0417 -6.0414 -5.4220 -5.4210 -5.3716 -5.3712 -5.1777 -5.1757 -0.3205 -0.2770 0.0823 0.1294 0.9626 1.1529 1.5100 1.6529 1.6936 1.8355 2.7244 2.7431 2.7447 2.7774 2.8144 2.9050 3.0635 3.0707 3.0790 3.1055 3.2170 3.2830 3.2913 3.3439 3.9041 3.9689 3.9802 4.0538 4.0887 4.1195 4.1265 4.2084 4.5833 4.5865 4.6405 4.6606 4.7965 4.8113 4.8402 4.8919 5.3449 5.3713 5.7123 5.7311 8.2380 8.2970 8.3489 8.4052 8.6233 8.6253 9.3335 9.3463 9.6586 9.7244 k = 0.0000 0.0000 0.6103 ( 7497 PWs) bands (ev): -6.0052 -6.0049 -5.4379 -5.4369 -5.3821 -5.3818 -5.1946 -5.1928 -0.3106 -0.2678 0.0580 0.1022 0.9512 1.1374 1.5335 1.5882 1.6380 1.8516 2.6982 2.7455 2.7932 2.8218 2.8471 2.9168 3.0654 3.0774 3.0925 3.1152 3.2251 3.2725 3.2932 3.3362 3.9061 3.9656 3.9891 4.0538 4.0946 4.1250 4.1259 4.2136 4.5756 4.6285 4.6463 4.6916 4.8367 4.8390 4.8663 4.9163 5.3646 5.3965 5.6974 5.7176 8.2076 8.2756 8.3144 8.3675 8.5884 8.6060 9.2912 9.3156 9.6719 9.7424 k = 0.0000 0.0000 0.6329 ( 7483 PWs) bands (ev): -5.9685 -5.9682 -5.4534 -5.4525 -5.3915 -5.3912 -5.2128 -5.2111 -0.3004 -0.2586 0.0343 0.0760 0.9418 1.1214 1.5236 1.5594 1.5881 1.8740 2.6644 2.7350 2.8391 2.8635 2.8805 2.9323 3.0667 3.0827 3.0995 3.1302 3.2328 3.2608 3.2965 3.3278 3.9080 3.9622 3.9988 4.0537 4.0998 4.1271 4.1309 4.2190 4.5662 4.6306 4.6701 4.7375 4.8722 4.8844 4.8971 4.9443 5.3865 5.4226 5.6839 5.7047 8.1604 8.2256 8.2633 8.3182 8.5833 8.6082 9.2512 9.2834 9.6890 9.7622 k = 0.0000 0.0000 0.6555 ( 7492 PWs) bands (ev): -5.9316 -5.9313 -5.4686 -5.4678 -5.3996 -5.3994 -5.2319 -5.2303 -0.2898 -0.2490 0.0113 0.0506 0.9346 1.1065 1.4603 1.5214 1.6092 1.9018 2.6250 2.7147 2.8804 2.9009 2.9127 2.9492 3.0675 3.0867 3.1041 3.1465 3.2398 3.2503 3.2993 3.3192 3.9099 3.9588 4.0087 4.0535 4.1037 4.1306 4.1374 4.2245 4.5605 4.6168 4.7042 4.7706 4.9138 4.9334 4.9366 4.9782 5.4096 5.4489 5.6722 5.6925 8.1014 8.1586 8.1982 8.2543 8.6016 8.6265 9.2138 9.2508 9.7090 9.7835 k = 0.0000 0.0000 0.6781 ( 7498 PWs) bands (ev): -5.8949 -5.8946 -5.4837 -5.4830 -5.4064 -5.4062 -5.2518 -5.2504 -0.2786 -0.2391 -0.0110 0.0262 0.9300 1.0940 1.3989 1.4676 1.6529 1.9347 2.5807 2.6867 2.9166 2.9329 2.9440 2.9659 3.0679 3.0895 3.1083 3.1617 3.2417 3.2460 3.3014 3.3110 3.9117 3.9553 4.0180 4.0534 4.1061 4.1360 4.1443 4.2296 4.5595 4.6064 4.7289 4.7891 4.9633 4.9748 4.9911 5.0196 5.4332 5.4752 5.6624 5.6809 8.0350 8.0835 8.1244 8.1811 8.6323 8.6543 9.1794 9.2182 9.7312 9.8056 k = 0.0000 0.0000 0.7007 ( 7498 PWs) bands (ev): -5.8584 -5.8581 -5.4988 -5.4982 -5.4118 -5.4116 -5.2723 -5.2711 -0.2668 -0.2286 -0.0327 0.0028 0.9286 1.0847 1.3399 1.4151 1.7017 1.9719 2.5320 2.6523 2.9471 2.9596 2.9736 2.9812 3.0681 3.0916 3.1133 3.1747 3.2355 3.2513 3.3026 3.3035 3.9136 3.9519 4.0264 4.0532 4.1082 4.1417 4.1517 4.2337 4.5635 4.6004 4.7434 4.7962 5.0125 5.0233 5.0460 5.0676 5.4567 5.5010 5.6547 5.6697 7.9650 8.0060 8.0464 8.1035 8.6690 8.6875 9.1475 9.1860 9.7546 9.8278 k = 0.0000 0.0000 0.7233 ( 7496 PWs) bands (ev): -5.8224 -5.8222 -5.5142 -5.5136 -5.4156 -5.4155 -5.2930 -5.2919 -0.2544 -0.2174 -0.0537 -0.0197 0.9306 1.0793 1.2840 1.3651 1.7542 2.0131 2.4795 2.6126 2.9717 2.9822 2.9947 3.0000 3.0680 3.0930 3.1194 3.1847 3.2326 3.2557 3.2968 3.3027 3.9157 3.9485 4.0334 4.0532 4.1106 4.1465 4.1595 4.2361 4.5726 4.5993 4.7488 4.7951 5.0574 5.0761 5.1001 5.1192 5.4797 5.5261 5.6490 5.6589 7.8953 7.9306 7.9681 8.0250 8.7087 8.7233 9.1176 9.1540 9.7784 9.8494 k = 0.0000 0.0000 0.7459 ( 7504 PWs) bands (ev): -5.7872 -5.7870 -5.5301 -5.5296 -5.4176 -5.4175 -5.3136 -5.3126 -0.2413 -0.2056 -0.0739 -0.0411 0.9363 1.0780 1.2314 1.3181 1.8099 2.0576 2.4236 2.5686 2.9905 3.0012 3.0062 3.0224 3.0679 3.0940 3.1269 3.1902 3.2340 3.2592 3.2911 3.3016 3.9177 3.9451 4.0390 4.0531 4.1137 4.1495 4.1677 4.2364 4.5865 4.6034 4.7469 4.7878 5.1002 5.1257 5.1522 5.1701 5.5018 5.5501 5.6453 5.6483 7.8294 7.8611 7.8926 7.9485 8.7497 8.7605 9.0887 9.1220 9.8017 9.8697 k = 0.0000 0.0000 0.7685 ( 7508 PWs) bands (ev): -5.7530 -5.7528 -5.5470 -5.5466 -5.4178 -5.4177 -5.3334 -5.3326 -0.2275 -0.1930 -0.0936 -0.0617 0.9460 1.0812 1.1825 1.2745 1.8680 2.1049 2.3650 2.5211 3.0040 3.0154 3.0169 3.0402 3.0681 3.0946 3.1355 3.1911 3.2397 3.2621 3.2863 3.2991 3.9199 3.9418 4.0432 4.0530 4.1177 4.1505 4.1761 4.2346 4.6043 4.6121 4.7393 4.7758 5.1399 5.1681 5.2003 5.2167 5.5227 5.5726 5.6377 5.6433 7.7708 7.8009 7.8234 7.8774 8.7910 8.7979 9.0604 9.0896 9.8238 9.8880 k = 0.0000 0.0000 0.7911 ( 7504 PWs) bands (ev): -5.7201 -5.7200 -5.5653 -5.5650 -5.4158 -5.4157 -5.3520 -5.3513 -0.2130 -0.1797 -0.1126 -0.0812 0.9600 1.0891 1.1376 1.2348 1.9281 2.1546 2.3044 2.4710 3.0136 3.0220 3.0295 3.0520 3.0702 3.0948 3.1449 3.1887 3.2480 3.2646 3.2822 3.2952 3.9222 3.9387 4.0463 4.0528 4.1224 4.1495 4.1848 4.2307 4.6249 4.6253 4.7274 4.7599 5.1746 5.2012 5.2419 5.2558 5.5422 5.5928 5.6269 5.6423 7.7227 7.7532 7.7635 7.8148 8.8321 8.8349 9.0317 9.0564 9.8441 9.9040 k = 0.0000 0.0000 0.8137 ( 7506 PWs) bands (ev): -5.6889 -5.6887 -5.5855 -5.5852 -5.4115 -5.4114 -5.3688 -5.3683 -0.1979 -0.1654 -0.1309 -0.0999 0.9783 1.0968 1.1017 1.1992 1.9897 2.2060 2.2422 2.4190 3.0202 3.0260 3.0393 3.0560 3.0761 3.0941 3.1543 3.1843 3.2573 3.2671 3.2785 3.2899 3.9246 3.9356 4.0484 4.0525 4.1276 4.1469 4.1935 4.2251 4.6406 4.6482 4.7122 4.7408 5.2028 5.2234 5.2747 5.2850 5.5600 5.6100 5.6156 5.6411 7.6881 7.7160 7.7205 7.7638 8.8711 8.8725 9.0023 9.0222 9.8622 9.9154 k = 0.0000 0.0000 0.8363 ( 7502 PWs) bands (ev): -5.6596 -5.6594 -5.6078 -5.6076 -5.4048 -5.4046 -5.3834 -5.3830 -0.1821 -0.1504 -0.1486 -0.1176 1.0012 1.0604 1.1190 1.1679 2.0524 2.1792 2.2588 2.3659 3.0246 3.0276 3.0466 3.0550 3.0831 3.0921 3.1633 3.1784 3.2667 3.2696 3.2753 3.2833 3.9272 3.9327 4.0500 4.0519 4.1330 4.1431 4.2022 4.2182 4.6582 4.6722 4.6950 4.7193 5.2230 5.2341 5.2966 5.3021 5.5762 5.6037 5.6235 5.6385 7.6692 7.6834 7.7048 7.7272 8.9061 8.9118 8.9716 8.9867 9.8782 9.9044 k = 0.0000 0.0000 0.8589 ( 7502 PWs) bands (ev): -5.6325 -5.6325 -5.6323 -5.6323 -5.3954 -5.3954 -5.3952 -5.3952 -0.1657 -0.1657 -0.1344 -0.1344 1.0285 1.0285 1.1411 1.1411 2.1157 2.1157 2.3123 2.3123 3.0271 3.0271 3.0517 3.0517 3.0886 3.0886 3.1714 3.1714 3.2723 3.2723 3.2755 3.2755 3.9298 3.9298 4.0511 4.0511 4.1383 4.1383 4.2105 4.2105 4.6767 4.6767 4.6962 4.6962 5.2338 5.2338 5.3060 5.3060 5.5906 5.5906 5.6329 5.6329 7.6676 7.6676 7.7071 7.7071 8.9396 8.9396 8.9499 8.9499 9.8921 9.8921 k = 0.0000 0.0000 0.8589 ( 7502 PWs) bands (ev): -5.6325 -5.6325 -5.6323 -5.6323 -5.3954 -5.3954 -5.3952 -5.3952 -0.1657 -0.1657 -0.1344 -0.1344 1.0285 1.0285 1.1411 1.1411 2.1157 2.1157 2.3123 2.3123 3.0271 3.0271 3.0517 3.0517 3.0886 3.0886 3.1714 3.1714 3.2723 3.2723 3.2755 3.2755 3.9298 3.9298 4.0511 4.0511 4.1383 4.1383 4.2105 4.2105 4.6767 4.6767 4.6962 4.6962 5.2338 5.2338 5.3060 5.3060 5.5906 5.5906 5.6329 5.6329 7.6676 7.6676 7.7071 7.7071 8.9396 8.9396 8.9499 8.9499 9.8921 9.8921 k =-0.0128 0.0179 0.8589 ( 7518 PWs) bands (ev): -5.6325 -5.6325 -5.6323 -5.6323 -5.3957 -5.3957 -5.3954 -5.3954 -0.1639 -0.1639 -0.1325 -0.1325 1.0289 1.0289 1.1411 1.1411 2.1164 2.1164 2.3128 2.3128 3.0258 3.0258 3.0514 3.0514 3.0879 3.0879 3.1709 3.1709 3.2710 3.2710 3.2761 3.2761 3.9297 3.9297 4.0510 4.0510 4.1379 4.1379 4.2099 4.2099 4.6757 4.6757 4.6948 4.6948 5.2330 5.2330 5.3051 5.3051 5.5873 5.5873 5.6296 5.6296 7.6704 7.6704 7.7103 7.7103 8.9439 8.9439 8.9617 8.9617 9.8881 9.8881 k =-0.0256 0.0358 0.8589 ( 7510 PWs) bands (ev): -5.6326 -5.6326 -5.6323 -5.6323 -5.3964 -5.3964 -5.3960 -5.3960 -0.1584 -0.1584 -0.1266 -0.1266 1.0299 1.0299 1.1411 1.1411 2.1186 2.1186 2.3143 2.3143 3.0224 3.0224 3.0506 3.0506 3.0862 3.0862 3.1696 3.1696 3.2681 3.2681 3.2771 3.2771 3.9292 3.9292 4.0506 4.0506 4.1367 4.1367 4.2081 4.2081 4.6727 4.6727 4.6907 4.6907 5.2308 5.2308 5.3025 5.3025 5.5775 5.5775 5.6198 5.6198 7.6788 7.6788 7.7198 7.7198 8.9610 8.9610 8.9918 8.9918 9.8758 9.8758 k =-0.0384 0.0537 0.8589 ( 7518 PWs) bands (ev): -5.6328 -5.6328 -5.6324 -5.6324 -5.3974 -5.3974 -5.3969 -5.3969 -0.1495 -0.1495 -0.1168 -0.1168 1.0316 1.0316 1.1411 1.1411 2.1222 2.1222 2.3169 2.3169 3.0168 3.0168 3.0489 3.0489 3.0832 3.0832 3.1674 3.1674 3.2644 3.2644 3.2777 3.2777 3.9284 3.9284 4.0498 4.0498 4.1348 4.1348 4.2052 4.2052 4.6677 4.6677 4.6840 4.6840 5.2270 5.2270 5.2982 5.2982 5.5618 5.5618 5.6041 5.6041 7.6928 7.6928 7.7354 7.7354 8.9924 8.9924 9.0370 9.0370 9.8550 9.8550 k =-0.0513 0.0716 0.8589 ( 7508 PWs) bands (ev): -5.6332 -5.6332 -5.6328 -5.6328 -5.3987 -5.3987 -5.3981 -5.3981 -0.1371 -0.1371 -0.1034 -0.1034 1.0341 1.0341 1.1412 1.1412 2.1273 2.1273 2.3205 2.3205 3.0093 3.0093 3.0461 3.0461 3.0791 3.0791 3.1644 3.1644 3.2598 3.2598 3.2779 3.2779 3.9273 3.9273 4.0489 4.0489 4.1323 4.1323 4.2014 4.2014 4.6609 4.6609 4.6748 4.6748 5.2218 5.2218 5.2923 5.2923 5.5410 5.5410 5.5832 5.5832 7.7122 7.7122 7.7570 7.7570 9.0365 9.0365 9.0950 9.0950 9.8255 9.8255 k =-0.0641 0.0895 0.8589 ( 7498 PWs) bands (ev): -5.6340 -5.6340 -5.6335 -5.6335 -5.3999 -5.3999 -5.3992 -5.3992 -0.1216 -0.1216 -0.0866 -0.0866 1.0374 1.0374 1.1414 1.1414 2.1337 2.1337 2.3251 2.3251 3.0001 3.0001 3.0422 3.0422 3.0739 3.0739 3.1605 3.1605 3.2544 3.2544 3.2776 3.2776 3.9260 3.9260 4.0476 4.0476 4.1292 4.1292 4.1966 4.1966 4.6521 4.6521 4.6635 4.6635 5.2153 5.2153 5.2848 5.2848 5.5161 5.5161 5.5580 5.5580 7.7370 7.7370 7.7843 7.7843 9.0907 9.0907 9.1632 9.1632 9.7876 9.7876 k =-0.0769 0.1074 0.8589 ( 7504 PWs) bands (ev): -5.6354 -5.6353 -5.6348 -5.6347 -5.4009 -5.4009 -5.4001 -5.4001 -0.1032 -0.1032 -0.0665 -0.0665 1.0415 1.0415 1.1417 1.1417 2.1415 2.1415 2.3306 2.3306 2.9893 2.9893 3.0369 3.0369 3.0677 3.0677 3.1558 3.1558 3.2484 3.2484 3.2769 3.2769 3.9245 3.9245 4.0461 4.0461 4.1255 4.1255 4.1911 4.1911 4.6414 4.6414 4.6503 4.6503 5.2073 5.2073 5.2757 5.2757 5.4882 5.4882 5.5296 5.5296 7.7667 7.7667 7.8169 7.8169 9.1514 9.1514 9.2382 9.2382 9.7421 9.7421 k =-0.0897 0.1253 0.8589 ( 7504 PWs) bands (ev): -5.6375 -5.6375 -5.6368 -5.6368 -5.4014 -5.4014 -5.4005 -5.4005 -0.0822 -0.0822 -0.0435 -0.0435 1.0466 1.0466 1.1422 1.1422 2.1506 2.1506 2.3372 2.3372 2.9770 2.9770 3.0302 3.0302 3.0606 3.0606 3.1503 3.1503 3.2418 3.2418 3.2758 3.2758 3.9228 3.9228 4.0444 4.0444 4.1213 4.1213 4.1851 4.1851 4.6284 4.6284 4.6361 4.6361 5.1981 5.1981 5.2653 5.2653 5.4583 5.4583 5.4992 5.4992 7.8010 7.8010 7.8543 7.8543 9.2133 9.2133 9.3147 9.3147 9.6912 9.6912 k =-0.1025 0.1432 0.8589 ( 7500 PWs) bands (ev): -5.6407 -5.6407 -5.6399 -5.6399 -5.4010 -5.4010 -5.4000 -5.4000 -0.0589 -0.0589 -0.0182 -0.0182 1.0528 1.0528 1.1431 1.1431 2.1610 2.1610 2.3446 2.3446 2.9634 2.9634 3.0221 3.0221 3.0527 3.0527 3.1440 3.1440 3.2350 3.2350 3.2742 3.2742 3.9211 3.9211 4.0424 4.0424 4.1167 4.1167 4.1789 4.1789 4.6129 4.6129 4.6216 4.6216 5.1877 5.1877 5.2535 5.2535 5.4275 5.4275 5.4676 5.4676 7.8396 7.8396 7.8959 7.8959 9.2689 9.2689 9.3851 9.3851 9.6388 9.6388 k =-0.1153 0.1611 0.8589 ( 7486 PWs) bands (ev): -5.6450 -5.6450 -5.6443 -5.6443 -5.3996 -5.3996 -5.3985 -5.3985 -0.0340 -0.0340 0.0092 0.0092 1.0603 1.0603 1.1445 1.1445 2.1726 2.1726 2.3530 2.3530 2.9485 2.9485 3.0124 3.0124 3.0442 3.0442 3.1368 3.1368 3.2280 3.2280 3.2721 3.2721 3.9194 3.9194 4.0404 4.0404 4.1117 4.1117 4.1727 4.1727 4.5951 4.5951 4.6069 4.6069 5.1762 5.1762 5.2404 5.2404 5.3967 5.3967 5.4358 5.4358 7.8817 7.8817 7.9410 7.9410 9.3060 9.3060 9.4347 9.4347 9.5935 9.5935 k =-0.1282 0.1790 0.8589 ( 7492 PWs) bands (ev): -5.6508 -5.6507 -5.6500 -5.6500 -5.3969 -5.3969 -5.3958 -5.3958 -0.0079 -0.0079 0.0380 0.0380 1.0692 1.0692 1.1467 1.1467 2.1854 2.1854 2.3623 2.3623 2.9325 2.9325 3.0011 3.0011 3.0350 3.0350 3.1288 3.1288 3.2211 3.2211 3.2696 3.2696 3.9178 3.9178 4.0381 4.0381 4.1062 4.1062 4.1668 4.1668 4.5758 4.5758 4.5919 4.5919 5.1637 5.1637 5.2263 5.2263 5.3665 5.3665 5.4046 5.4046 7.9267 7.9267 7.9889 7.9889 9.3098 9.3098 9.4380 9.4380 9.5674 9.5674 k =-0.1282 0.1790 0.8589 ( 7492 PWs) bands (ev): -5.6508 -5.6507 -5.6500 -5.6500 -5.3969 -5.3969 -5.3958 -5.3958 -0.0079 -0.0079 0.0380 0.0380 1.0692 1.0692 1.1467 1.1467 2.1854 2.1854 2.3623 2.3623 2.9325 2.9325 3.0011 3.0011 3.0350 3.0350 3.1288 3.1288 3.2211 3.2211 3.2696 3.2696 3.9178 3.9178 4.0381 4.0381 4.1062 4.1062 4.1668 4.1668 4.5758 4.5758 4.5919 4.5919 5.1637 5.1637 5.2263 5.2263 5.3665 5.3665 5.4046 5.4046 7.9267 7.9267 7.9889 7.9889 9.3098 9.3098 9.4380 9.4380 9.5674 9.5674 k =-0.1375 0.1920 0.8429 ( 7494 PWs) bands (ev): -5.6657 -5.6650 -5.6466 -5.6459 -5.4082 -5.4073 -5.3786 -5.3777 -0.0034 0.0263 0.0454 0.0739 1.0633 1.0920 1.1383 1.1623 2.1524 2.2374 2.3341 2.4053 2.9175 2.9216 2.9906 2.9921 3.0239 3.0304 3.1178 3.1283 3.2101 3.2220 3.2639 3.2711 3.9155 3.9178 4.0342 4.0382 4.0970 4.1063 4.1587 4.1684 4.5486 4.5616 4.5838 4.5895 5.1451 5.1518 5.2103 5.2164 5.3431 5.3474 5.3828 5.3893 7.9609 7.9665 8.0221 8.0340 9.2626 9.3112 9.3809 9.4346 9.5477 9.5693 k =-0.1467 0.2050 0.8270 ( 7494 PWs) bands (ev): -5.6803 -5.6796 -5.6454 -5.6447 -5.4193 -5.4184 -5.3580 -5.3570 0.0004 0.0512 0.0632 0.1113 1.0623 1.1138 1.1366 1.1795 2.1205 2.2820 2.3139 2.4476 2.9005 2.9084 2.9776 2.9812 3.0110 3.0233 3.1073 3.1289 3.1988 3.2228 3.2577 3.2726 3.9133 3.9178 4.0294 4.0383 4.0870 4.1054 4.1529 4.1713 4.5197 4.5416 4.5808 4.5872 5.1156 5.1273 5.1883 5.2006 5.3242 5.3292 5.3692 5.3809 8.0019 8.0120 8.0621 8.0847 9.1902 9.2858 9.3218 9.4238 9.5296 9.5743 k =-0.1560 0.2179 0.8110 ( 7494 PWs) bands (ev): -5.6946 -5.6939 -5.6464 -5.6458 -5.4300 -5.4291 -5.3356 -5.3345 0.0035 0.0583 0.0993 0.1497 1.0663 1.1255 1.1509 1.1984 2.0897 2.2724 2.3478 2.4888 2.8816 2.8927 2.9621 2.9683 2.9966 3.0131 3.0981 3.1306 3.1877 3.2233 3.2513 3.2742 3.9110 3.9178 4.0234 4.0385 4.0774 4.1032 4.1497 4.1750 4.4916 4.5221 4.5766 4.5830 5.0773 5.0924 5.1595 5.1767 5.3116 5.3166 5.3623 5.3777 8.0482 8.0618 8.1077 8.1396 9.1053 9.1985 9.3107 9.4106 9.5045 9.5794 k =-0.1653 0.2309 0.7950 ( 7492 PWs) bands (ev): -5.7085 -5.7078 -5.6490 -5.6484 -5.4404 -5.4394 -5.3121 -5.3109 0.0055 0.0643 0.1367 0.1889 1.0753 1.1317 1.1767 1.2187 2.0601 2.2472 2.3969 2.5282 2.8608 2.8744 2.9442 2.9533 2.9807 3.0001 3.0906 3.1331 3.1772 3.2234 3.2452 3.2756 3.9085 3.9178 4.0164 4.0387 4.0690 4.0997 4.1491 4.1792 4.4651 4.5039 4.5704 4.5766 5.0327 5.0505 5.1252 5.1457 5.3047 5.3100 5.3599 5.3785 8.0978 8.1146 8.1569 8.1967 9.0158 9.1007 9.3046 9.3973 9.4707 9.5487 k =-0.1746 0.2439 0.7790 ( 7496 PWs) bands (ev): -5.7219 -5.7211 -5.6528 -5.6522 -5.4502 -5.4493 -5.2881 -5.2868 0.0065 0.0694 0.1745 0.2286 1.0892 1.1406 1.2056 1.2406 2.0319 2.2218 2.4453 2.5649 2.8382 2.8532 2.9239 2.9366 2.9636 2.9845 3.0846 3.1361 3.1679 3.2225 3.2404 3.2768 3.9059 3.9178 4.0090 4.0391 4.0620 4.0952 4.1503 4.1838 4.4406 4.4873 4.5619 4.5676 4.9843 5.0044 5.0874 5.1109 5.3015 5.3071 5.3609 5.3821 8.1479 8.1690 8.2077 8.2542 8.9271 9.0017 9.2984 9.3839 9.4331 9.5029 k =-0.1839 0.2569 0.7631 ( 7492 PWs) bands (ev): -5.7347 -5.7339 -5.6573 -5.6567 -5.4597 -5.4587 -5.2641 -5.2627 0.0063 0.0736 0.2125 0.2684 1.1076 1.1536 1.2362 1.2641 2.0051 2.1971 2.4912 2.5979 2.8140 2.8291 2.9014 2.9188 2.9454 2.9671 3.0796 3.1393 3.1602 3.2200 3.2380 3.2779 3.9031 3.9179 4.0017 4.0395 4.0563 4.0903 4.1529 4.1883 4.4186 4.4723 4.5509 4.5562 4.9339 4.9563 5.0482 5.0750 5.3003 5.3062 5.3644 5.3882 8.1948 8.2232 8.2573 8.3101 8.8439 8.9059 9.2870 9.3681 9.4011 9.4541 k =-0.1932 0.2699 0.7471 ( 7494 PWs) bands (ev): -5.7469 -5.7460 -5.6623 -5.6616 -5.4686 -5.4676 -5.2405 -5.2389 0.0051 0.0769 0.2503 0.3080 1.1304 1.1706 1.2681 1.2891 1.9797 2.1733 2.5337 2.6257 2.7879 2.8025 2.8771 2.9008 2.9270 2.9481 3.0752 3.1419 3.1551 3.2162 3.2381 3.2790 3.9002 3.9179 3.9953 4.0399 4.0517 4.0854 4.1562 4.1927 4.3993 4.4590 4.5372 4.5426 4.8829 4.9078 5.0089 5.0399 5.3002 5.3061 5.3699 5.3962 8.2331 8.2708 8.3044 8.3636 8.7724 8.8181 9.2594 9.3529 9.3705 9.4241 k =-0.2025 0.2829 0.7311 ( 7497 PWs) bands (ev): -5.7584 -5.7575 -5.6675 -5.6668 -5.4770 -5.4759 -5.2175 -5.2158 0.0030 0.0792 0.2875 0.3469 1.1568 1.1915 1.3013 1.3158 1.9558 2.1504 2.5709 2.6466 2.7594 2.7744 2.8517 2.8829 2.9100 2.9284 3.0714 3.1421 3.1539 3.2124 3.2400 3.2803 3.8975 3.9180 3.9900 4.0401 4.0480 4.0808 4.1599 4.1967 4.3832 4.4473 4.5206 4.5273 4.8327 4.8604 4.9707 5.0067 5.3005 5.3063 5.3770 5.4057 8.2553 8.2972 8.3535 8.4148 8.7185 8.7462 9.2153 9.3055 9.3708 9.4247 k =-0.2118 0.2958 0.7152 ( 7498 PWs) bands (ev): -5.7691 -5.7682 -5.6727 -5.6720 -5.4848 -5.4838 -5.1955 -5.1937 0.0001 0.0807 0.3239 0.3847 1.1863 1.2159 1.3353 1.3444 1.9334 2.1282 2.6003 2.6590 2.7277 2.7468 2.8259 2.8650 2.8972 2.9088 3.0679 3.1402 3.1560 3.2093 3.2432 3.2819 3.8952 3.9181 3.9861 4.0395 4.0457 4.0767 4.1636 4.2000 4.3702 4.4371 4.5014 4.5105 4.7842 4.8151 4.9343 4.9759 5.3011 5.3065 5.3853 5.4166 8.2521 8.2942 8.4036 8.4647 8.6806 8.7056 9.1655 9.2460 9.3922 9.4418 k =-0.2211 0.3088 0.6992 ( 7497 PWs) bands (ev): -5.7791 -5.7782 -5.6779 -5.6771 -5.4921 -5.4910 -5.1747 -5.1728 -0.0033 0.0813 0.3590 0.4210 1.2182 1.2434 1.3697 1.3752 1.9125 2.1066 2.6164 2.6634 2.6933 2.7207 2.8006 2.8467 2.8888 2.8934 3.0649 3.1382 3.1589 3.2072 3.2476 3.2840 3.8935 3.9183 3.9834 4.0373 4.0450 4.0733 4.1669 4.2025 4.3606 4.4282 4.4803 4.4924 4.7384 4.7728 4.9003 4.9480 5.3016 5.3066 5.3945 5.4285 8.2211 8.2646 8.4494 8.5130 8.6583 8.6986 9.1158 9.1873 9.4247 9.4715 k =-0.2304 0.3218 0.6832 ( 7492 PWs) bands (ev): -5.7882 -5.7873 -5.6828 -5.6820 -5.4987 -5.4976 -5.1553 -5.1532 -0.0072 0.0813 0.3923 0.4553 1.2516 1.2734 1.4033 1.4092 1.8930 2.0856 2.6125 2.6538 2.6664 2.6973 2.7768 2.8281 2.8762 2.8936 3.0622 3.1367 3.1615 3.2063 3.2531 3.2870 3.8928 3.9185 3.9817 4.0342 4.0452 4.0708 4.1697 4.2042 4.3542 4.4203 4.4580 4.4735 4.6958 4.7342 4.8690 4.9229 5.3021 5.3065 5.4044 5.4411 8.1712 8.2150 8.4876 8.5590 8.6552 8.7078 9.0693 9.1320 9.4666 9.5127 k =-0.2397 0.3348 0.6673 ( 7500 PWs) bands (ev): -5.7965 -5.7956 -5.6873 -5.6866 -5.5047 -5.5036 -5.1374 -5.1353 -0.0112 0.0808 0.4236 0.4871 1.2857 1.3049 1.4369 1.4453 1.8748 2.0649 2.5888 2.6236 2.6512 2.6802 2.7553 2.8098 2.8694 2.8996 3.0600 3.1356 3.1633 3.2063 3.2595 3.2909 3.8931 3.9188 3.9808 4.0305 4.0457 4.0693 4.1719 4.2051 4.3507 4.4124 4.4353 4.4551 4.6567 4.6998 4.8407 4.9008 5.3025 5.3062 5.4146 5.4541 8.1134 8.1547 8.5170 8.6007 8.6633 8.7235 9.0277 9.0818 9.5165 9.5645 k =-0.2490 0.3478 0.6513 ( 7499 PWs) bands (ev): -5.8039 -5.8030 -5.6915 -5.6908 -5.5101 -5.5090 -5.1213 -5.1191 -0.0152 0.0800 0.4523 0.5161 1.3197 1.3370 1.4713 1.4822 1.8580 2.0444 2.5523 2.5965 2.6265 2.6653 2.7359 2.7919 2.8702 2.9081 3.0582 3.1350 3.1645 3.2068 3.2664 3.2958 3.8946 3.9192 3.9804 4.0262 4.0463 4.0689 4.1734 4.2053 4.3496 4.4030 4.4136 4.4391 4.6213 4.6697 4.8156 4.8815 5.3026 5.3057 5.4248 5.4671 8.0547 8.0917 8.5380 8.6331 8.6780 8.7414 8.9921 9.0377 9.5732 9.6247 k =-0.2583 0.3608 0.6353 ( 7498 PWs) bands (ev): -5.8104 -5.8094 -5.6953 -5.6945 -5.5148 -5.5137 -5.1071 -5.1048 -0.0191 0.0789 0.4781 0.5419 1.3527 1.3687 1.5062 1.5190 1.8425 2.0240 2.5111 2.5715 2.5990 2.6474 2.7181 2.7747 2.8766 2.9169 3.0567 3.1345 3.1651 3.2074 3.2735 3.3018 3.8972 3.9199 3.9800 4.0215 4.0473 4.0691 4.1744 4.2051 4.3496 4.3887 4.3957 4.4278 4.5897 4.6442 4.7937 4.8650 5.3027 5.3052 5.4347 5.4798 7.9993 8.0310 8.5520 8.6491 8.7009 8.7587 8.9630 9.0002 9.6348 9.6909 k =-0.2676 0.3738 0.6194 ( 7495 PWs) bands (ev): -5.8159 -5.8149 -5.6985 -5.6978 -5.5188 -5.5177 -5.0949 -5.0925 -0.0226 0.0778 0.5007 0.5641 1.3836 1.3988 1.5408 1.5550 1.8282 2.0036 2.4696 2.5482 2.5720 2.6279 2.7018 2.7590 2.8853 2.9251 3.0556 3.1343 3.1654 3.2080 3.2802 3.3084 3.9005 3.9210 3.9795 4.0164 4.0488 4.0697 4.1750 4.2044 4.3482 4.3718 4.3831 4.4211 4.5620 4.6230 4.7751 4.8512 5.3027 5.3046 5.4439 5.4915 7.9495 7.9757 8.5605 8.6523 8.7272 8.7738 8.9406 8.9696 9.6994 9.7601 k =-0.2769 0.3867 0.6034 ( 7495 PWs) bands (ev): -5.8204 -5.8195 -5.7013 -5.7005 -5.5221 -5.5210 -5.0847 -5.0822 -0.0256 0.0767 0.5197 0.5826 1.4110 1.4265 1.5739 1.5890 1.8154 1.9837 2.4303 2.5272 2.5475 2.6091 2.6876 2.7454 2.8942 2.9320 3.0547 3.1341 3.1655 3.2084 3.2862 3.3150 3.9041 3.9230 3.9782 4.0115 4.0509 4.0702 4.1756 4.2033 4.3414 4.3574 4.3773 4.4173 4.5382 4.6061 4.7599 4.8399 5.3026 5.3041 5.4520 5.5020 7.9072 7.9280 8.5650 8.6495 8.7509 8.7857 8.9245 8.9457 9.7645 9.8294 k =-0.2862 0.3997 0.5874 ( 7491 PWs) bands (ev): -5.8240 -5.8230 -5.7034 -5.7026 -5.5247 -5.5235 -5.0767 -5.0742 -0.0281 0.0757 0.5349 0.5971 1.4336 1.4506 1.6041 1.6190 1.8043 1.9649 2.3956 2.5094 2.5271 2.5926 2.6760 2.7344 2.9019 2.9374 3.0541 3.1341 3.1654 3.2086 3.2912 3.3210 3.9072 3.9260 3.9759 4.0072 4.0534 4.0703 4.1764 4.2019 4.3310 4.3453 4.3786 4.4147 4.5185 4.5931 4.7480 4.8312 5.3025 5.3036 5.4587 5.5107 7.8735 7.8891 8.5669 8.6441 8.7698 8.7939 8.9139 8.9280 9.8271 9.8956 k =-0.2955 0.4127 0.5715 ( 7491 PWs) bands (ev): -5.8265 -5.8256 -5.7049 -5.7042 -5.5265 -5.5254 -5.0710 -5.0684 -0.0299 0.0750 0.5458 0.6076 1.4504 1.4697 1.6294 1.6424 1.7957 1.9486 2.3680 2.4956 2.5118 2.5798 2.6675 2.7262 2.9078 2.9412 3.0536 3.1340 3.1654 3.2086 3.2949 3.3258 3.9093 3.9300 3.9727 4.0041 4.0562 4.0699 4.1774 4.2002 4.3219 4.3359 4.3827 4.4128 4.5034 4.5840 4.7394 4.8250 5.3025 5.3031 5.4637 5.5172 7.8493 7.8602 8.5675 8.6386 8.7836 8.7988 8.9076 8.9159 9.8836 9.9561 k =-0.3048 0.4257 0.5555 ( 7480 PWs) bands (ev): -5.8281 -5.8271 -5.7059 -5.7051 -5.5276 -5.5265 -5.0675 -5.0649 -0.0310 0.0745 0.5525 0.6138 1.4608 1.4821 1.6478 1.6562 1.7903 1.9372 2.3502 2.4869 2.5024 2.5717 2.6622 2.7212 2.9114 2.9435 3.0534 3.1341 3.1654 3.2086 3.2973 3.3289 3.9105 3.9338 3.9694 4.0024 4.0585 4.0691 4.1783 4.1989 4.3160 4.3300 4.3866 4.4113 4.4938 4.5787 4.7343 4.8213 5.3024 5.3029 5.4668 5.5213 7.8352 7.8419 8.5675 8.6346 8.7923 8.8010 8.9046 8.9088 9.9279 10.0076 k =-0.3141 0.4387 0.5395 ( 7478 PWs) bands (ev): -5.8286 -5.8276 -5.7062 -5.7054 -5.5280 -5.5268 -5.0663 -5.0638 -0.0314 0.0743 0.5548 0.6159 1.4643 1.4864 1.6557 1.6597 1.7885 1.9331 2.3440 2.4839 2.4992 2.5689 2.6605 2.7196 2.9126 2.9442 3.0533 3.1340 3.1654 3.2086 3.2981 3.3300 3.9108 3.9355 3.9679 4.0018 4.0596 4.0686 4.1788 4.1983 4.3140 4.3279 4.3883 4.4107 4.4905 4.5769 4.7326 4.8200 5.3024 5.3027 5.4679 5.5227 7.8307 7.8355 8.5675 8.6332 8.7955 8.8013 8.9038 8.9062 9.9468 10.0366 k =-0.3141 0.4387 0.5395 ( 7478 PWs) bands (ev): -5.8286 -5.8276 -5.7062 -5.7054 -5.5280 -5.5268 -5.0663 -5.0638 -0.0314 0.0743 0.5548 0.6159 1.4643 1.4864 1.6557 1.6597 1.7885 1.9331 2.3440 2.4839 2.4992 2.5689 2.6605 2.7196 2.9126 2.9442 3.0533 3.1340 3.1654 3.2086 3.2981 3.3300 3.9108 3.9355 3.9679 4.0018 4.0596 4.0686 4.1788 4.1983 4.3140 4.3279 4.3883 4.4107 4.4905 4.5769 4.7326 4.8200 5.3024 5.3027 5.4679 5.5227 7.8307 7.8355 8.5675 8.6332 8.7955 8.8013 8.9038 8.9062 9.9468 10.0366 k =-0.3048 0.4258 0.5236 ( 7492 PWs) bands (ev): -5.8404 -5.8394 -5.6834 -5.6825 -5.5370 -5.5358 -5.0651 -5.0624 -0.0398 0.0652 0.5719 0.6414 1.4674 1.4724 1.6628 1.6749 1.7550 1.9070 2.3100 2.4477 2.4814 2.5395 2.6480 2.6976 2.9208 2.9477 3.0536 3.1356 3.1664 3.2192 3.3143 3.3357 3.9108 3.9363 3.9709 4.0054 4.0677 4.0720 4.1881 4.2060 4.3098 4.3274 4.3738 4.3926 4.4817 4.5696 4.7373 4.8318 5.3054 5.3102 5.4797 5.5330 7.8636 7.8711 8.5968 8.6597 8.8041 8.8160 8.9667 8.9680 10.0045 10.0908 k =-0.2956 0.4129 0.5078 ( 7494 PWs) bands (ev): -5.8588 -5.8577 -5.6599 -5.6591 -5.5390 -5.5377 -5.0638 -5.0611 -0.0501 0.0533 0.5836 0.6616 1.4583 1.4753 1.6512 1.7018 1.7444 1.8859 2.2761 2.4110 2.4629 2.5090 2.6360 2.6761 2.9276 2.9504 3.0542 3.1359 3.1673 3.2290 3.3307 3.3408 3.9107 3.9373 3.9739 4.0087 4.0746 4.0753 4.1960 4.2114 4.3066 4.3299 4.3635 4.3760 4.4763 4.5647 4.7458 4.8473 5.3037 5.3135 5.4882 5.5402 7.8979 7.9083 8.6203 8.6791 8.8049 8.8184 9.0272 9.0294 10.0558 10.1302 k =-0.2864 0.4000 0.4919 ( 7482 PWs) bands (ev): -5.8827 -5.8817 -5.6360 -5.6350 -5.5347 -5.5334 -5.0626 -5.0599 -0.0623 0.0386 0.5905 0.6766 1.4438 1.4879 1.6217 1.7350 1.7595 1.8707 2.2430 2.3739 2.4436 2.4779 2.6245 2.6556 2.9331 2.9524 3.0550 3.1352 3.1681 3.2377 3.3455 3.3470 3.9104 3.9384 3.9769 4.0117 4.0763 4.0819 4.2024 4.2146 4.3031 4.3354 4.3590 4.3613 4.4741 4.5621 4.7577 4.8665 5.2972 5.3124 5.4935 5.5446 7.9335 7.9471 8.6388 8.6921 8.8013 8.8139 9.0863 9.0883 10.0968 10.1593 k =-0.2771 0.3871 0.4760 ( 7484 PWs) bands (ev): -5.9110 -5.9101 -5.6115 -5.6105 -5.5253 -5.5240 -5.0615 -5.0588 -0.0764 0.0212 0.5929 0.6868 1.4289 1.5045 1.5863 1.7715 1.7877 1.8635 2.2113 2.3368 2.4237 2.4463 2.6138 2.6368 2.9372 2.9540 3.0560 3.1337 3.1685 3.2450 3.3500 3.3628 3.9099 3.9397 3.9800 4.0140 4.0774 4.0871 4.2069 4.2154 4.2987 4.3408 4.3515 4.3606 4.4748 4.5617 4.7732 4.8895 5.2859 5.3067 5.4954 5.5464 7.9701 7.9871 8.6532 8.7002 8.7964 8.8069 9.1434 9.1451 10.1203 10.1726 k =-0.2679 0.3742 0.4602 ( 7492 PWs) bands (ev): -5.9423 -5.9415 -5.5866 -5.5856 -5.5121 -5.5109 -5.0605 -5.0577 -0.0922 0.0015 0.5917 0.6926 1.4138 1.5212 1.5543 1.8028 1.8217 1.8716 2.1825 2.3000 2.4032 2.4144 2.6039 2.6199 2.9399 2.9550 3.0571 3.1316 3.1684 3.2506 3.3543 3.3777 3.9092 3.9410 3.9831 4.0158 4.0779 4.0908 4.2095 4.2138 4.2938 4.3330 4.3593 4.3677 4.4780 4.5631 4.7920 4.9161 5.2699 5.2963 5.4942 5.5461 8.0077 8.0282 8.6650 8.7052 8.7926 8.8005 9.1984 9.1997 10.1189 10.1632 k =-0.2587 0.3613 0.4443 ( 7486 PWs) bands (ev): -5.9757 -5.9748 -5.5614 -5.5603 -5.4962 -5.4950 -5.0595 -5.0567 -0.1098 -0.0204 0.5875 0.6948 1.3984 1.5061 1.5590 1.8183 1.8565 1.9039 2.1588 2.2641 2.3825 2.3826 2.5950 2.6053 2.9415 2.9556 3.0580 3.1292 3.1679 3.2545 3.3587 3.3915 3.9084 3.9424 3.9864 4.0169 4.0781 4.0931 4.2100 4.2101 4.2889 4.3226 4.3739 4.3793 4.4833 4.5661 4.8143 4.9463 5.2495 5.2814 5.4903 5.5445 8.0460 8.0701 8.6757 8.7094 8.7918 8.7973 9.2506 9.2516 10.0888 10.1276 k =-0.2494 0.3484 0.4284 ( 7480 PWs) bands (ev): -6.0102 -6.0094 -5.5359 -5.5348 -5.4782 -5.4770 -5.0586 -5.0558 -0.1288 -0.0440 0.5811 0.6941 1.3831 1.4735 1.5866 1.8248 1.8866 1.9512 2.1444 2.2297 2.3515 2.3623 2.5872 2.5931 2.9420 2.9558 3.0588 3.1266 3.1667 3.2566 3.3629 3.4040 3.9075 3.9438 3.9898 4.0175 4.0781 4.0941 4.2041 4.2090 4.2839 4.3132 4.3911 4.3945 4.4902 4.5701 4.8398 4.9800 5.2251 5.2622 5.4843 5.5424 8.0849 8.1126 8.6865 8.7144 8.7954 8.7989 9.2991 9.3000 10.0313 10.0663 k =-0.2402 0.3355 0.4126 ( 7480 PWs) bands (ev): -6.0453 -6.0446 -5.5102 -5.5091 -5.4587 -5.4576 -5.0579 -5.0551 -0.1491 -0.0692 0.5732 0.6911 1.3681 1.4413 1.6192 1.8298 1.9050 2.0030 2.1445 2.1980 2.3217 2.3435 2.5805 2.5833 2.9417 2.9557 3.0591 3.1238 3.1648 3.2571 3.3667 3.4151 3.9064 3.9452 3.9932 4.0176 4.0779 4.0939 4.1967 4.2064 4.2787 4.3046 4.4101 4.4127 4.4985 4.5746 4.8684 5.0169 5.1974 5.2391 5.4768 5.5408 8.1244 8.1555 8.6985 8.7221 8.8042 8.8064 9.3428 9.3434 9.9507 9.9833 k =-0.2309 0.3226 0.3967 ( 7480 PWs) bands (ev): -6.0806 -6.0799 -5.4845 -5.4834 -5.4383 -5.4372 -5.0572 -5.0544 -0.1706 -0.0956 0.5642 0.6865 1.3537 1.4109 1.6549 1.8346 1.9075 2.0524 2.1610 2.1721 2.2952 2.3278 2.5750 2.5758 2.9406 2.9550 3.0590 3.1211 3.1622 3.2561 3.3700 3.4245 3.9053 3.9466 3.9966 4.0174 4.0777 4.0926 4.1880 4.2023 4.2728 4.2968 4.4297 4.4333 4.5081 4.5792 4.8999 5.0564 5.1676 5.2129 5.4689 5.5407 8.1644 8.1985 8.7128 8.7337 8.8185 8.8203 9.3802 9.3805 9.8529 9.8836 k =-0.2217 0.3097 0.3808 ( 7488 PWs) bands (ev): -6.1157 -6.1151 -5.4588 -5.4576 -5.4171 -5.4160 -5.0566 -5.0538 -0.1929 -0.1229 0.5548 0.6807 1.3404 1.3826 1.6929 1.8383 1.8965 2.0855 2.1626 2.1849 2.2782 2.3182 2.5706 2.5707 2.9388 2.9540 3.0583 3.1184 3.1588 3.2538 3.3723 3.4322 3.9041 3.9478 3.9999 4.0171 4.0774 4.0905 4.1782 4.1971 4.2663 4.2894 4.4488 4.4556 4.5189 4.5835 4.9339 5.0947 5.1404 5.1844 5.4614 5.5430 8.2049 8.2415 8.7298 8.7498 8.8382 8.8404 9.4092 9.4097 9.7433 9.7727 k =-0.2125 0.2967 0.3650 ( 7480 PWs) bands (ev): -6.1504 -6.1498 -5.4332 -5.4320 -5.3955 -5.3944 -5.0561 -5.0533 -0.2160 -0.1508 0.5452 0.6742 1.3283 1.3566 1.7321 1.8392 1.8780 2.0855 2.1816 2.1930 2.2882 2.3202 2.5673 2.5679 2.9364 2.9524 3.0571 3.1160 3.1546 3.2504 3.3734 3.4380 3.9028 3.9488 4.0031 4.0169 4.0770 4.0875 4.1674 4.1908 4.2593 4.2826 4.4656 4.4788 4.5315 4.5873 4.9697 5.0942 5.1547 5.1553 5.4554 5.5489 8.2457 8.2844 8.7500 8.7707 8.8633 8.8662 9.4264 9.4285 9.6278 9.6565 k =-0.2032 0.2838 0.3491 ( 7496 PWs) bands (ev): -6.1844 -6.1839 -5.4077 -5.4065 -5.3736 -5.3725 -5.0556 -5.0530 -0.2395 -0.1790 0.5359 0.6674 1.3177 1.3331 1.7702 1.8358 1.8577 2.0714 2.1796 2.2038 2.3263 2.3405 2.5653 2.5675 2.9334 2.9502 3.0553 3.1138 3.1496 3.2462 3.3731 3.4419 3.9014 3.9495 4.0059 4.0169 4.0764 4.0834 4.1559 4.1833 4.2523 4.2761 4.4783 4.5016 4.5461 4.5907 5.0056 5.0661 5.1286 5.2005 5.4520 5.5588 8.2868 8.3269 8.7731 8.7961 8.8934 8.8968 9.4216 9.4266 9.5188 9.5478 k =-0.1940 0.2709 0.3332 ( 7488 PWs) bands (ev): -6.2176 -6.2171 -5.3826 -5.3813 -5.3517 -5.3506 -5.0553 -5.0527 -0.2632 -0.2073 0.5271 0.6605 1.3088 1.3120 1.7961 1.8270 1.8483 2.0566 2.1601 2.2166 2.3743 2.3777 2.5649 2.5698 2.9298 2.9475 3.0528 3.1121 3.1439 3.2413 3.3711 3.4436 3.8998 3.9499 4.0080 4.0174 4.0757 4.0780 4.1444 4.1748 4.2457 4.2703 4.4862 4.5219 4.5617 4.5945 5.0344 5.0394 5.1129 5.2510 5.4520 5.5735 8.3278 8.3688 8.7983 8.8252 8.9277 8.9311 9.3548 9.3571 9.4685 9.4867 k =-0.1848 0.2580 0.3174 ( 7484 PWs) bands (ev): -6.2499 -6.2494 -5.3578 -5.3565 -5.3298 -5.3288 -5.0550 -5.0525 -0.2870 -0.2354 0.5190 0.6537 1.2935 1.3018 1.7880 1.8129 1.8713 2.0434 2.1418 2.2256 2.4225 2.4235 2.5667 2.5756 2.9257 2.9442 3.0497 3.1106 3.1374 3.2359 3.3672 3.4431 3.8980 3.9499 4.0088 4.0183 4.0708 4.0746 4.1337 4.1650 4.2400 4.2653 4.4897 4.5373 4.5757 4.5997 5.0186 5.0394 5.1272 5.3040 5.4562 5.5930 8.3681 8.4096 8.8231 8.8561 8.9654 8.9669 9.2415 9.2446 9.4528 9.4646 k =-0.1755 0.2451 0.3015 ( 7482 PWs) bands (ev): -6.2811 -6.2807 -5.3334 -5.3321 -5.3083 -5.3072 -5.0549 -5.0524 -0.3107 -0.2632 0.5118 0.6472 1.2775 1.2968 1.7665 1.7944 1.9048 2.0312 2.1282 2.2356 2.4663 2.4686 2.5731 2.5869 2.9211 2.9401 3.0459 3.1095 3.1304 3.2301 3.3615 3.4403 3.8959 3.9495 4.0074 4.0196 4.0623 4.0731 4.1252 4.1540 4.2355 4.2614 4.4894 4.5458 4.5854 4.6062 5.0072 5.0295 5.1651 5.3589 5.4649 5.6173 8.4068 8.4483 8.8412 8.8845 8.9999 9.0039 9.1276 9.1338 9.4343 9.4452 k =-0.1663 0.2322 0.2856 ( 7478 PWs) bands (ev): -6.3112 -6.3108 -5.3096 -5.3084 -5.2870 -5.2860 -5.0548 -5.0524 -0.3340 -0.2904 0.5055 0.6411 1.2640 1.2939 1.7434 1.7728 1.9342 2.0195 2.1226 2.2480 2.5024 2.5026 2.5893 2.6070 2.9161 2.9353 3.0417 3.1086 3.1232 3.2241 3.3539 3.4350 3.8933 3.9487 4.0020 4.0210 4.0540 4.0712 4.1193 4.1421 4.2324 4.2589 4.4859 4.5479 4.5883 4.6112 5.0076 5.0233 5.2111 5.4153 5.4786 5.6460 8.4422 8.4833 8.8336 8.8916 9.0095 9.0133 9.0602 9.0713 9.4075 9.4240 k =-0.1570 0.2193 0.2698 ( 7474 PWs) bands (ev): -6.3400 -6.3396 -5.2865 -5.2852 -5.2663 -5.2653 -5.0547 -5.0525 -0.3569 -0.3170 0.5004 0.6354 1.2531 1.2931 1.7209 1.7494 1.9536 2.0082 2.1290 2.2621 2.5203 2.5271 2.6192 2.6379 2.9108 2.9299 3.0370 3.1068 3.1170 3.2180 3.3445 3.4273 3.8900 3.9475 3.9918 4.0223 4.0480 4.0686 4.1157 4.1300 4.2309 4.2579 4.4796 4.5457 4.5838 4.6108 5.0212 5.0277 5.2606 5.4728 5.4972 5.6789 8.4716 8.5119 8.7721 8.8242 8.9912 8.9959 9.0771 9.0890 9.3484 9.4043 k =-0.1478 0.2064 0.2539 ( 7476 PWs) bands (ev): -6.3674 -6.3671 -5.2641 -5.2629 -5.2461 -5.2452 -5.0548 -5.0526 -0.3791 -0.3427 0.4963 0.6302 1.2446 1.2943 1.6997 1.7254 1.9615 1.9975 2.1479 2.2766 2.5266 2.5425 2.6569 2.6760 2.9053 2.9239 3.0321 3.1021 3.1144 3.2119 3.3336 3.4172 3.8860 3.9460 3.9779 4.0229 4.0446 4.0648 4.1141 4.1187 4.2310 4.2585 4.4709 4.5407 4.5730 4.6034 5.0446 5.0470 5.3125 5.5197 5.5319 5.7152 8.4911 8.5291 8.6744 8.7160 8.9771 9.0100 9.0819 9.1077 9.2781 9.3409 k =-0.1386 0.1935 0.2380 ( 7468 PWs) bands (ev): -6.3935 -6.3932 -5.2426 -5.2413 -5.2266 -5.2257 -5.0549 -5.0528 -0.4006 -0.3674 0.4935 0.6253 1.2385 1.2974 1.6803 1.7016 1.9611 1.9876 2.1754 2.2901 2.5276 2.5526 2.6951 2.7163 2.9000 2.9177 3.0271 3.0953 3.1148 3.2062 3.3215 3.4049 3.8810 3.9442 3.9631 4.0224 4.0425 4.0592 4.1102 4.1139 4.2328 4.2607 4.4600 4.5335 4.5583 4.5898 5.0733 5.0832 5.3662 5.5475 5.5904 5.7543 8.4926 8.5243 8.5707 8.6097 8.9296 9.0191 9.0796 9.0796 9.2494 9.2942 k =-0.1293 0.1806 0.2222 ( 7476 PWs) bands (ev): -6.4181 -6.4179 -5.2219 -5.2207 -5.2080 -5.2071 -5.0550 -5.0530 -0.4211 -0.3910 0.4917 0.6207 1.2347 1.3024 1.6628 1.6785 1.9568 1.9790 2.2061 2.3012 2.5256 2.5593 2.7305 2.7556 2.8954 2.9120 3.0225 3.0885 3.1167 3.2009 3.3086 3.3907 3.8750 3.9420 3.9492 4.0200 4.0407 4.0509 4.1060 4.1149 4.2362 4.2643 4.4472 4.5241 4.5419 4.5725 5.1117 5.1275 5.4215 5.5791 5.6493 5.7957 8.4394 8.4621 8.5025 8.5427 8.8444 8.9635 9.0593 9.0834 9.2565 9.3087 k =-0.1201 0.1677 0.2063 ( 7486 PWs) bands (ev): -6.4413 -6.4410 -5.2023 -5.2012 -5.1901 -5.1893 -5.0552 -5.0533 -0.4407 -0.4135 0.4911 0.6165 1.2331 1.3088 1.6475 1.6568 1.9516 1.9719 2.2362 2.3090 2.5214 2.5628 2.7609 2.7922 2.8919 2.9079 3.0187 3.0825 3.1196 3.1962 3.2953 3.3750 3.8682 3.9373 3.9395 4.0154 4.0388 4.0408 4.1065 4.1169 4.2410 4.2692 4.4329 4.5122 4.5256 4.5544 5.1573 5.1777 5.4783 5.6143 5.7079 5.8385 8.3392 8.3606 8.4624 8.4963 8.7443 8.8579 9.0758 9.0946 9.2814 9.3450 k =-0.1109 0.1548 0.1904 ( 7490 PWs) bands (ev): -6.4629 -6.4626 -5.1838 -5.1827 -5.1733 -5.1725 -5.0553 -5.0537 -0.4591 -0.4346 0.4916 0.6124 1.2335 1.3164 1.6344 1.6370 1.9472 1.9665 2.2628 2.3127 2.5150 2.5625 2.7849 2.8252 2.8904 2.9069 3.0164 3.0780 3.1234 3.1923 3.2822 3.3585 3.8611 3.9275 3.9366 4.0083 4.0305 4.0365 4.1107 4.1196 4.2472 4.2751 4.4177 4.4973 4.5102 4.5379 5.2080 5.2319 5.5365 5.6529 5.7657 5.8822 8.2378 8.2574 8.4072 8.4355 8.6419 8.7478 9.1021 9.1142 9.3138 9.3859 k =-0.1016 0.1419 0.1745 ( 7498 PWs) bands (ev): -6.4829 -6.4826 -5.1664 -5.1654 -5.1575 -5.1568 -5.0556 -5.0540 -0.4763 -0.4544 0.4931 0.6084 1.2357 1.3246 1.6195 1.6236 1.9444 1.9631 2.2841 2.3123 2.5063 2.5576 2.8016 2.8535 2.8913 2.9104 3.0163 3.0752 3.1280 3.1893 3.2695 3.3416 3.8546 3.9196 3.9332 3.9987 4.0215 4.0336 4.1177 4.1233 4.2544 4.2817 4.4022 4.4800 4.4961 4.5236 5.2618 5.2885 5.5961 5.6947 5.8223 5.9259 8.1408 8.1584 8.3360 8.3596 8.5422 8.6407 9.1351 9.1416 9.3476 9.4247 k =-0.0924 0.1290 0.1587 ( 7485 PWs) bands (ev): -6.5012 -6.5010 -5.1503 -5.1493 -5.1427 -5.1421 -5.0558 -5.0544 -0.4922 -0.4727 0.4956 0.6043 1.2395 1.3327 1.6050 1.6153 1.9437 1.9616 2.2989 2.3078 2.4951 2.5477 2.8121 2.8743 2.8971 2.9183 3.0191 3.0745 3.1335 3.1873 3.2578 3.3251 3.8491 3.9131 3.9294 3.9876 4.0141 4.0303 4.1267 4.1277 4.2624 4.2887 4.3871 4.4621 4.4835 4.5111 5.3168 5.3456 5.6572 5.7396 5.8773 5.9690 8.0494 8.0652 8.2529 8.2726 8.4476 8.5390 9.1722 9.1746 9.3790 9.4569 k =-0.0831 0.1161 0.1428 ( 7493 PWs) bands (ev): -6.5179 -6.5177 -5.1355 -5.1346 -5.1292 -5.1287 -5.0560 -5.0547 -0.5067 -0.4895 0.4989 0.6002 1.2447 1.3401 1.5939 1.6094 1.9454 1.9621 2.2996 2.3065 2.4811 2.5328 2.8190 2.8838 2.9108 2.9286 3.0252 3.0759 3.1396 3.1862 3.2471 3.3092 3.8452 3.9076 3.9250 3.9759 4.0080 4.0266 4.1329 4.1373 4.2708 4.2956 4.3728 4.4448 4.4721 4.4995 5.3714 5.4018 5.7196 5.7875 5.9300 6.0108 7.9646 7.9785 8.1621 8.1787 8.3598 8.4438 9.2105 9.2109 9.4052 9.4791 k =-0.0739 0.1032 0.1269 ( 7489 PWs) bands (ev): -6.5329 -6.5328 -5.1221 -5.1213 -5.1168 -5.1164 -5.0562 -5.0551 -0.5198 -0.5048 0.5030 0.5959 1.2510 1.3459 1.5868 1.6059 1.9494 1.9645 2.2885 2.3071 2.4644 2.5135 2.8251 2.8873 2.9269 2.9394 3.0345 3.0790 3.1464 3.1861 3.2377 3.2943 3.8430 3.9029 3.9200 3.9644 4.0029 4.0227 4.1389 4.1491 4.2790 4.3016 4.3600 4.4289 4.4621 4.4883 5.4240 5.4551 5.7833 5.8382 5.9800 6.0505 7.8869 7.8991 8.0673 8.0814 8.2797 8.3560 9.2470 9.2491 9.4244 9.4901 k =-0.0647 0.0903 0.1111 ( 7483 PWs) bands (ev): -6.5462 -6.5461 -5.1101 -5.1095 -5.1057 -5.1054 -5.0564 -5.0555 -0.5314 -0.5185 0.5078 0.5914 1.2582 1.3495 1.5838 1.6045 1.9557 1.9686 2.2753 2.3017 2.4453 2.4908 2.8317 2.8888 2.9412 2.9494 3.0463 3.0837 3.1534 3.1868 3.2297 3.2807 3.8427 3.8989 3.9148 3.9533 3.9989 4.0187 4.1457 4.1617 4.2866 4.3057 4.3496 4.4148 4.4536 4.4776 5.4735 5.5041 5.8476 5.8913 6.0267 6.0874 7.8169 7.8274 7.9717 7.9838 8.2082 8.2764 9.2824 9.2853 9.4359 9.4907 k =-0.0554 0.0774 0.0952 ( 7485 PWs) bands (ev): -6.5578 -6.5577 -5.0997 -5.0992 -5.0960 -5.0958 -5.0566 -5.0558 -0.5414 -0.5305 0.5132 0.5865 1.2660 1.3504 1.5849 1.6051 1.9638 1.9743 2.2611 2.2913 2.4249 2.4659 2.8389 2.8892 2.9530 2.9582 3.0595 3.0893 3.1604 3.1880 3.2232 3.2683 3.8441 3.8953 3.9094 3.9426 3.9960 4.0147 4.1534 4.1748 4.2930 4.3059 4.3430 4.4025 4.4465 4.4674 5.5185 5.5475 5.9116 5.9456 6.0697 6.1209 7.7551 7.7640 7.8781 7.8886 8.1458 8.2053 9.3152 9.3182 9.4401 9.4831 k =-0.0462 0.0645 0.0793 ( 7487 PWs) bands (ev): -6.5676 -6.5675 -5.0908 -5.0904 -5.0875 -5.0875 -5.0568 -5.0562 -0.5499 -0.5409 0.5190 0.5814 1.2742 1.3487 1.5891 1.6071 1.9734 1.9812 2.2470 2.2775 2.4043 2.4403 2.8464 2.8887 2.9626 2.9655 3.0730 3.0955 3.1672 3.1893 3.2182 3.2572 3.8473 3.8924 3.9042 3.9322 3.9940 4.0108 4.1619 4.1878 4.2978 4.3016 4.3411 4.3919 4.4410 4.4580 5.5582 5.5844 5.9736 5.9994 6.1085 6.1504 7.7020 7.7093 7.7897 7.7987 8.0930 8.1434 9.3443 9.3469 9.4386 9.4705 k =-0.0370 0.0516 0.0635 ( 7489 PWs) bands (ev): -6.5757 -6.5756 -5.0836 -5.0833 -5.0806 -5.0805 -5.0569 -5.0565 -0.5567 -0.5495 0.5252 0.5759 1.2827 1.3448 1.5955 1.6101 1.9835 1.9887 2.2342 2.2619 2.3852 2.4153 2.8538 2.8875 2.9700 2.9714 3.0857 3.1015 3.1734 3.1906 3.2148 3.2474 3.8520 3.8902 3.8993 3.9220 3.9930 4.0071 4.1711 4.1999 4.2947 4.3005 4.3422 4.3826 4.4372 4.4499 5.5919 5.6142 6.0312 6.0499 6.1426 6.1754 7.6580 7.6638 7.7097 7.7172 8.0503 8.0912 9.3692 9.3707 9.4334 9.4561 k =-0.0277 0.0387 0.0476 ( 7493 PWs) bands (ev): -6.5820 -6.5819 -5.0779 -5.0777 -5.0751 -5.0750 -5.0571 -5.0568 -0.5618 -0.5565 0.5316 0.5702 1.2912 1.3392 1.6026 1.6134 1.9933 1.9961 2.2236 2.2462 2.3691 2.3925 2.8607 2.8857 2.9754 2.9760 3.0966 3.1069 3.1788 3.1913 3.2132 3.2386 3.8580 3.8886 3.8951 3.9120 3.9927 4.0037 4.1809 4.2096 4.2882 4.3009 4.3446 4.3744 4.4347 4.4435 5.6193 5.6368 6.0813 6.0936 6.1719 6.1954 7.6235 7.6278 7.6417 7.6476 8.0179 8.0489 9.3892 9.3893 9.4266 9.4425 k =-0.0185 0.0258 0.0317 ( 7501 PWs) bands (ev): -6.5865 -6.5864 -5.0739 -5.0738 -5.0711 -5.0710 -5.0572 -5.0570 -0.5652 -0.5617 0.5381 0.5641 1.2998 1.3324 1.6091 1.6161 2.0015 2.0027 2.2165 2.2322 2.3574 2.3734 2.8668 2.8833 2.9791 2.9792 3.1052 3.1111 3.1833 3.1914 3.2135 3.2310 3.8651 3.8878 3.8914 3.9024 3.9931 4.0007 4.1908 4.2149 4.2847 4.2988 4.3475 4.3670 4.4335 4.4388 5.6400 5.6520 6.1202 6.1271 6.1956 6.2101 7.5894 7.5934 7.5989 7.6018 7.9961 8.0169 9.4022 9.4040 9.4203 9.4317 k =-0.0092 0.0129 0.0159 ( 7509 PWs) bands (ev): -6.5891 -6.5891 -5.0715 -5.0714 -5.0686 -5.0686 -5.0573 -5.0572 -0.5669 -0.5652 0.5448 0.5578 1.3084 1.3248 1.6141 1.6175 2.0070 2.0073 2.2134 2.2215 2.3514 2.3595 2.8722 2.8803 2.9812 2.9812 3.1109 3.1135 3.1867 3.1907 3.2155 3.2245 3.8730 3.8876 3.8880 3.8939 3.9942 3.9980 4.2005 4.2144 4.2856 4.2948 4.3509 4.3606 4.4332 4.4357 5.6537 5.6598 6.1449 6.1476 6.2123 6.2188 7.5566 7.5587 7.5842 7.5857 7.9850 7.9955 9.4091 9.4125 9.4171 9.4248 k = 0.0000 0.0000 0.0000 ( 7513 PWs) bands (ev): -6.5900 -6.5900 -5.0706 -5.0706 -5.0678 -5.0678 -5.0573 -5.0573 -0.5669 -0.5669 0.5513 0.5513 1.3167 1.3167 1.6169 1.6169 2.0089 2.0089 2.2150 2.2150 2.3520 2.3520 2.8766 2.8766 2.9819 2.9819 3.1136 3.1136 3.1892 3.1892 3.2193 3.2193 3.8811 3.8811 3.8894 3.8894 3.9958 3.9958 4.2090 4.2090 4.2897 4.2897 4.3553 4.3553 4.4339 4.4339 5.6603 5.6603 6.1538 6.1538 6.2201 6.2201 7.5460 7.5460 7.5798 7.5798 7.9848 7.9848 9.4118 9.4118 9.4207 9.4207 k = 0.0000 0.0000 0.0000 ( 7513 PWs) bands (ev): -6.5900 -6.5900 -5.0706 -5.0706 -5.0678 -5.0678 -5.0573 -5.0573 -0.5669 -0.5669 0.5513 0.5513 1.3167 1.3167 1.6169 1.6169 2.0089 2.0089 2.2150 2.2150 2.3520 2.3520 2.8766 2.8766 2.9819 2.9819 3.1136 3.1136 3.1892 3.1892 3.2193 3.2193 3.8811 3.8811 3.8894 3.8894 3.9958 3.9958 4.2090 4.2090 4.2897 4.2897 4.3553 4.3553 4.4339 4.4339 5.6603 5.6603 6.1538 6.1538 6.2201 6.2201 7.5460 7.5460 7.5798 7.5798 7.9848 7.9848 9.4118 9.4118 9.4207 9.4207 k = 0.0185 0.0133 0.0000 ( 7505 PWs) bands (ev): -6.5891 -6.5891 -5.0707 -5.0707 -5.0679 -5.0679 -5.0592 -5.0592 -0.5651 -0.5651 0.5491 0.5491 1.3131 1.3131 1.6234 1.6234 2.0114 2.0114 2.2164 2.2164 2.3533 2.3533 2.8765 2.8765 2.9815 2.9815 3.1133 3.1133 3.1893 3.1893 3.2183 3.2183 3.8751 3.8751 3.8963 3.8963 3.9958 3.9958 4.2085 4.2085 4.2910 4.2910 4.3555 4.3555 4.4349 4.4349 5.6570 5.6570 6.1502 6.1502 6.2099 6.2099 7.5587 7.5587 7.5806 7.5806 7.9872 7.9872 9.4104 9.4104 9.4190 9.4190 k = 0.0370 0.0265 0.0000 ( 7501 PWs) bands (ev): -6.5862 -6.5862 -5.0709 -5.0709 -5.0681 -5.0681 -5.0649 -5.0649 -0.5596 -0.5596 0.5423 0.5423 1.3032 1.3032 1.6418 1.6418 2.0187 2.0187 2.2207 2.2207 2.3570 2.3570 2.8760 2.8760 2.9802 2.9802 3.1125 3.1125 3.1897 3.1897 3.2155 3.2155 3.8670 3.8670 3.9069 3.9069 3.9955 3.9955 4.2070 4.2070 4.2945 4.2945 4.3564 4.3564 4.4379 4.4379 5.6472 5.6472 6.1395 6.1395 6.1806 6.1806 7.5820 7.5820 7.5962 7.5962 7.9943 7.9943 9.4045 9.4045 9.4133 9.4133 k = 0.0556 0.0398 0.0000 ( 7496 PWs) bands (ev): -6.5815 -6.5815 -5.0747 -5.0747 -5.0709 -5.0709 -5.0683 -5.0683 -0.5505 -0.5505 0.5313 0.5313 1.2893 1.2893 1.6697 1.6697 2.0306 2.0306 2.2277 2.2277 2.3633 2.3633 2.8752 2.8752 2.9781 2.9781 3.1113 3.1113 3.1902 3.1902 3.2109 3.2109 3.8595 3.8595 3.9184 3.9184 3.9950 3.9950 4.2044 4.2044 4.3004 4.3004 4.3579 4.3579 4.4430 4.4430 5.6310 5.6310 6.1219 6.1219 6.1356 6.1356 7.5856 7.5856 7.6537 7.6537 8.0061 8.0061 9.3904 9.3904 9.4015 9.4015 k = 0.0741 0.0530 0.0000 ( 7504 PWs) bands (ev): -6.5748 -6.5748 -5.0878 -5.0878 -5.0714 -5.0714 -5.0687 -5.0687 -0.5381 -0.5381 0.5165 0.5165 1.2736 1.2736 1.7050 1.7050 2.0467 2.0467 2.2376 2.2376 2.3720 2.3720 2.8739 2.8739 2.9750 2.9750 3.1097 3.1097 3.1909 3.1909 3.2045 3.2045 3.8528 3.8528 3.9304 3.9304 3.9942 3.9942 4.2009 4.2009 4.3085 4.3085 4.3600 4.3600 4.4501 4.4501 5.6085 5.6085 6.0789 6.0789 6.0978 6.0978 7.5905 7.5905 7.7278 7.7278 8.0225 8.0225 9.3637 9.3637 9.3785 9.3785 k = 0.0926 0.0663 0.0000 ( 7492 PWs) bands (ev): -6.5663 -6.5663 -5.1046 -5.1046 -5.0718 -5.0718 -5.0692 -5.0692 -0.5225 -0.5225 0.4982 0.4982 1.2579 1.2579 1.7455 1.7455 2.0664 2.0664 2.2504 2.2504 2.3832 2.3832 2.8720 2.8720 2.9711 2.9711 3.1078 3.1078 3.1915 3.1915 3.1969 3.1969 3.8470 3.8470 3.9429 3.9429 3.9934 3.9934 4.1963 4.1963 4.3186 4.3186 4.3631 4.3631 4.4593 4.4593 5.5803 5.5803 6.0146 6.0146 6.0677 6.0677 7.5968 7.5968 7.8137 7.8137 8.0434 8.0434 9.3206 9.3206 9.3384 9.3384 k = 0.1111 0.0796 0.0000 ( 7484 PWs) bands (ev): -6.5559 -6.5559 -5.1249 -5.1249 -5.0724 -5.0724 -5.0698 -5.0698 -0.5040 -0.5040 0.4772 0.4772 1.2436 1.2436 1.7898 1.7898 2.0891 2.0891 2.2662 2.2662 2.3967 2.3967 2.8692 2.8692 2.9663 2.9663 3.1057 3.1057 3.1860 3.1860 3.1939 3.1939 3.8420 3.8420 3.9553 3.9553 3.9925 3.9925 4.1907 4.1907 4.3304 4.3304 4.3672 4.3672 4.4707 4.4707 5.5467 5.5467 5.9459 5.9459 6.0323 6.0323 7.6048 7.6048 7.9074 7.9074 8.0687 8.0687 9.2594 9.2594 9.2783 9.2783 k = 0.1296 0.0928 0.0000 ( 7488 PWs) bands (ev): -6.5437 -6.5437 -5.1483 -5.1483 -5.0730 -5.0730 -5.0705 -5.0705 -0.4830 -0.4830 0.4537 0.4537 1.2316 1.2316 1.8369 1.8369 2.1142 2.1142 2.2850 2.2850 2.4125 2.4125 2.8651 2.8651 2.9606 2.9606 3.1035 3.1035 3.1753 3.1753 3.1951 3.1951 3.8379 3.8379 3.9672 3.9672 3.9918 3.9918 4.1840 4.1840 4.3435 4.3435 4.3729 4.3729 4.4842 4.4842 5.5084 5.5084 5.8755 5.8755 5.9922 5.9922 7.6146 7.6146 8.0045 8.0045 8.0984 8.0984 9.1811 9.1811 9.2002 9.2002 k = 0.1481 0.1061 0.0000 ( 7504 PWs) bands (ev): -6.5295 -6.5295 -5.1748 -5.1748 -5.0737 -5.0737 -5.0712 -5.0712 -0.4599 -0.4599 0.4285 0.4285 1.2226 1.2226 1.8859 1.8859 2.1409 2.1409 2.3069 2.3069 2.4304 2.4304 2.8591 2.8591 2.9543 2.9543 3.1013 3.1013 3.1633 3.1633 3.1966 3.1966 3.8344 3.8344 3.9771 3.9771 3.9924 3.9924 4.1762 4.1762 4.3570 4.3570 4.3811 4.3811 4.4998 4.4998 5.4659 5.4659 5.8050 5.8050 5.9482 5.9482 7.6261 7.6261 8.0992 8.0992 8.1345 8.1345 9.0891 9.0891 9.1084 9.1084 k = 0.1667 0.1193 0.0000 ( 7496 PWs) bands (ev): -6.5136 -6.5136 -5.2040 -5.2040 -5.0744 -5.0744 -5.0720 -5.0720 -0.4351 -0.4351 0.4019 0.4019 1.2171 1.2171 1.9361 1.9361 2.1687 2.1687 2.3316 2.3316 2.4505 2.4505 2.8504 2.8504 2.9479 2.9479 3.0993 3.0993 3.1506 3.1506 3.1982 3.1982 3.8318 3.8318 3.9819 3.9819 3.9973 3.9973 4.1675 4.1675 4.3697 4.3697 4.3931 4.3931 4.5175 4.5175 5.4203 5.4203 5.7359 5.7359 5.9009 5.9009 7.6395 7.6395 8.1627 8.1627 8.2003 8.2003 8.9876 8.9876 9.0071 9.0071 k = 0.1852 0.1326 0.0000 ( 7492 PWs) bands (ev): -6.4959 -6.4959 -5.2359 -5.2359 -5.0752 -5.0752 -5.0729 -5.0729 -0.4091 -0.4091 0.3744 0.3744 1.2155 1.2155 1.9867 1.9867 2.1970 2.1970 2.3590 2.3591 2.4725 2.4725 2.8383 2.8383 2.9419 2.9419 3.0973 3.0973 3.1376 3.1376 3.2001 3.2001 3.8298 3.8298 3.9819 3.9819 4.0052 4.0052 4.1581 4.1581 4.3811 4.3811 4.4094 4.4094 4.5371 4.5371 5.3724 5.3724 5.6689 5.6689 5.8511 5.8511 7.6548 7.6548 8.2050 8.2050 8.2788 8.2788 8.8801 8.8801 8.8998 8.8998 k = 0.2037 0.1458 0.0000 ( 7496 PWs) bands (ev): -6.4764 -6.4764 -5.2700 -5.2700 -5.0761 -5.0761 -5.0739 -5.0739 -0.3821 -0.3821 0.3464 0.3464 1.2184 1.2184 2.0372 2.0372 2.2254 2.2254 2.3888 2.3888 2.4963 2.4963 2.8218 2.8218 2.9369 2.9369 3.0952 3.0952 3.1250 3.1250 3.2020 3.2020 3.8285 3.8285 3.9805 3.9805 4.0128 4.0128 4.1481 4.1481 4.3925 4.3925 4.4287 4.4287 4.5585 4.5585 5.3232 5.3232 5.6044 5.6044 5.7994 5.7994 7.6720 7.6720 8.2485 8.2485 8.3383 8.3383 8.7697 8.7697 8.7899 8.7899 k = 0.2222 0.1591 0.0000 ( 7496 PWs) bands (ev): -6.4551 -6.4551 -5.3063 -5.3063 -5.0769 -5.0769 -5.0748 -5.0748 -0.3548 -0.3548 0.3182 0.3182 1.2260 1.2260 2.0870 2.0870 2.2537 2.2537 2.4202 2.4202 2.5217 2.5217 2.8008 2.8008 2.9331 2.9331 3.0915 3.0915 3.1146 3.1146 3.2040 3.2040 3.8277 3.8277 3.9785 3.9785 4.0182 4.0182 4.1381 4.1381 4.4049 4.4049 4.4501 4.4501 4.5816 4.5816 5.2738 5.2738 5.5425 5.5425 5.7466 5.7466 7.6909 7.6909 8.2937 8.2937 8.3681 8.3681 8.6587 8.6587 8.6797 8.6797 k = 0.2407 0.1724 0.0000 ( 7504 PWs) bands (ev): -6.4321 -6.4321 -5.3444 -5.3444 -5.0778 -5.0778 -5.0758 -5.0758 -0.3275 -0.3275 0.2901 0.2901 1.2385 1.2385 2.1354 2.1354 2.2817 2.2817 2.4524 2.4524 2.5484 2.5484 2.7754 2.7754 2.9307 2.9307 3.0839 3.0839 3.1089 3.1089 3.2061 3.2061 3.8275 3.8275 3.9761 3.9761 4.0209 4.0209 4.1283 4.1283 4.4188 4.4188 4.4729 4.4729 4.6061 4.6061 5.2252 5.2252 5.4834 5.4834 5.6933 5.6933 7.7115 7.7115 8.3377 8.3377 8.3654 8.3654 8.5492 8.5492 8.5717 8.5717 k = 0.2593 0.1856 0.0000 ( 7520 PWs) bands (ev): -6.4074 -6.4074 -5.3841 -5.3841 -5.0787 -5.0787 -5.0768 -5.0768 -0.3006 -0.3006 0.2622 0.2622 1.2562 1.2562 2.1817 2.1817 2.3093 2.3093 2.4840 2.4840 2.5762 2.5762 2.7465 2.7465 2.9296 2.9296 3.0726 3.0726 3.1079 3.1079 3.2081 3.2081 3.8277 3.8277 3.9734 3.9734 4.0204 4.0204 4.1193 4.1193 4.4345 4.4345 4.4966 4.4966 4.6317 4.6317 5.1781 5.1781 5.4270 5.4270 5.6401 5.6401 7.7334 7.7334 8.3270 8.3270 8.3811 8.3811 8.4454 8.4454 8.4702 8.4702 k = 0.2778 0.1989 0.0000 ( 7504 PWs) bands (ev): -6.3810 -6.3810 -5.4252 -5.4252 -5.0796 -5.0796 -5.0778 -5.0778 -0.2744 -0.2744 0.2349 0.2349 1.2792 1.2792 2.2251 2.2251 2.3365 2.3365 2.5128 2.5128 2.6046 2.6046 2.7166 2.7166 2.9295 2.9295 3.0599 3.0599 3.1096 3.1096 3.2102 3.2102 3.8285 3.8285 3.9704 3.9704 4.0168 4.0168 4.1112 4.1112 4.4522 4.4522 4.5211 4.5211 4.6581 4.6581 5.1332 5.1332 5.3736 5.3736 5.5876 5.5876 7.7562 7.7562 8.2722 8.2722 8.3318 8.3318 8.3634 8.3634 8.4390 8.4390 k = 0.2963 0.2121 0.0000 ( 7512 PWs) bands (ev): -6.3530 -6.3530 -5.4675 -5.4675 -5.0804 -5.0804 -5.0788 -5.0788 -0.2491 -0.2491 0.2082 0.2082 1.3075 1.3075 2.2645 2.2645 2.3631 2.3631 2.5344 2.5344 2.6328 2.6328 2.6907 2.6907 2.9304 2.9304 3.0466 3.0466 3.1130 3.1130 3.2122 3.2122 3.8296 3.8296 3.9669 3.9669 4.0106 4.0106 4.1040 4.1040 4.4716 4.4716 4.5458 4.5458 4.6848 4.6848 5.0907 5.0907 5.3232 5.3232 5.5364 5.5364 7.7793 7.7793 8.2017 8.2017 8.2354 8.2354 8.2772 8.2772 8.4558 8.4558 k = 0.3148 0.2254 0.0000 ( 7484 PWs) bands (ev): -6.3234 -6.3234 -5.5107 -5.5107 -5.0812 -5.0812 -5.0797 -5.0797 -0.2248 -0.2248 0.1822 0.1822 1.3410 1.3410 2.2980 2.2980 2.3888 2.3888 2.5410 2.5410 2.6574 2.6574 2.6811 2.6811 2.9320 2.9320 3.0333 3.0333 3.1180 3.1180 3.2141 3.2141 3.8312 3.8312 3.9626 3.9626 4.0031 4.0031 4.0972 4.0972 4.4927 4.4927 4.5707 4.5707 4.7112 4.7112 5.0510 5.0510 5.2763 5.2763 5.4869 5.4869 7.8015 7.8015 8.1216 8.1216 8.1427 8.1427 8.2003 8.2003 8.4412 8.4412 k = 0.3333 0.2387 0.0000 ( 7484 PWs) bands (ev): -6.2923 -6.2923 -5.5546 -5.5546 -5.0820 -5.0820 -5.0806 -5.0806 -0.2017 -0.2017 0.1571 0.1571 1.3797 1.3797 2.3220 2.3220 2.4136 2.4136 2.5296 2.5296 2.6726 2.6726 2.6990 2.6990 2.9342 2.9342 3.0200 3.0200 3.1242 3.1242 3.2159 3.2159 3.8332 3.8332 3.9569 3.9569 3.9957 3.9957 4.0902 4.0902 4.5152 4.5152 4.5953 4.5953 4.7367 4.7367 5.0140 5.0140 5.2332 5.2332 5.4395 5.4395 7.8211 7.8211 8.0396 8.0396 8.0556 8.0556 8.1316 8.1316 8.3995 8.3995 k = 0.3519 0.2519 0.0000 ( 7480 PWs) bands (ev): -6.2598 -6.2598 -5.5990 -5.5990 -5.0827 -5.0827 -5.0815 -5.0815 -0.1798 -0.1798 0.1329 0.1329 1.4232 1.4232 2.3295 2.3295 2.4372 2.4372 2.5134 2.5134 2.6903 2.6903 2.7259 2.7259 2.9364 2.9364 3.0069 3.0069 3.1316 3.1316 3.2173 3.2173 3.8355 3.8355 3.9494 3.9494 3.9898 3.9898 4.0829 4.0829 4.5390 4.5390 4.6194 4.6194 4.7604 4.7604 4.9796 4.9796 5.1948 5.1948 5.3947 5.3947 7.8358 7.8358 7.9609 7.9609 7.9749 7.9749 8.0692 8.0692 8.3534 8.3534 k = 0.3704 0.2652 0.0000 ( 7488 PWs) bands (ev): -6.2257 -6.2257 -5.6438 -5.6438 -5.0833 -5.0833 -5.0823 -5.0823 -0.1589 -0.1589 0.1096 0.1096 1.4714 1.4714 2.3134 2.3134 2.4594 2.4594 2.5074 2.5074 2.7104 2.7104 2.7529 2.7529 2.9383 2.9383 2.9942 2.9942 3.1400 3.1400 3.2184 3.2184 3.8383 3.8383 3.9401 3.9401 3.9862 3.9862 4.0748 4.0748 4.5636 4.5636 4.6428 4.6428 4.7811 4.7811 4.9475 4.9475 5.1619 5.1619 5.3527 5.3527 7.8428 7.8428 7.8887 7.8887 7.9015 7.9015 8.0127 8.0127 8.3177 8.3177 k = 0.3889 0.2784 0.0000 ( 7464 PWs) bands (ev): -6.1904 -6.1904 -5.6888 -5.6888 -5.0839 -5.0839 -5.0830 -5.0830 -0.1391 -0.1391 0.0872 0.0872 1.5238 1.5238 2.2753 2.2753 2.4801 2.4801 2.5136 2.5136 2.7305 2.7305 2.7785 2.7785 2.9391 2.9391 2.9826 2.9826 3.1494 3.1494 3.2190 3.2190 3.8415 3.8415 3.9298 3.9298 3.9847 3.9847 4.0662 4.0662 4.5891 4.5891 4.6654 4.6654 4.7975 4.7975 4.9174 4.9174 5.1358 5.1358 5.3138 5.3138 7.8230 7.8230 7.8308 7.8308 7.8471 7.8471 7.9623 7.9623 8.2993 8.2993 k = 0.4074 0.2917 0.0000 ( 7464 PWs) bands (ev): -6.1537 -6.1537 -5.7337 -5.7337 -5.0844 -5.0844 -5.0836 -5.0836 -0.1200 -0.1200 0.0657 0.0657 1.5799 1.5799 2.2235 2.2235 2.4992 2.4992 2.5252 2.5252 2.7495 2.7495 2.8014 2.8014 2.9380 2.9380 2.9728 2.9728 3.1592 3.1592 3.2189 3.2189 3.8452 3.8452 3.9193 3.9193 3.9851 3.9851 4.0569 4.0569 4.6150 4.6150 4.6869 4.6869 4.8082 4.8082 4.8889 4.8889 5.1177 5.1177 5.2780 5.2780 7.7674 7.7674 7.7761 7.7761 7.8344 7.8344 7.9180 7.9180 8.3000 8.3000 k = 0.4259 0.3050 0.0000 ( 7472 PWs) bands (ev): -6.1158 -6.1158 -5.7785 -5.7785 -5.0848 -5.0848 -5.0841 -5.0841 -0.1016 -0.1016 0.0451 0.0451 1.6393 1.6393 2.1642 2.1642 2.5161 2.5161 2.5373 2.5373 2.7674 2.7674 2.8203 2.8203 2.9350 2.9350 2.9653 2.9653 3.1692 3.1692 3.2180 3.2180 3.8495 3.8495 3.9089 3.9089 3.9870 3.9870 4.0471 4.0471 4.6413 4.6413 4.7074 4.7074 4.8120 4.8120 4.8618 4.8618 5.1084 5.1084 5.2453 5.2453 7.7207 7.7207 7.7281 7.7281 7.8204 7.8204 7.8797 7.8797 8.3177 8.3177 k = 0.4444 0.3182 0.0000 ( 7488 PWs) bands (ev): -6.0767 -6.0767 -5.8230 -5.8230 -5.0851 -5.0851 -5.0846 -5.0846 -0.0837 -0.0837 0.0252 0.0252 1.7015 1.7015 2.1005 2.1005 2.5305 2.5305 2.5472 2.5472 2.7842 2.7842 2.8334 2.8334 2.9318 2.9318 2.9594 2.9594 3.1789 3.1789 3.2161 3.2161 3.8544 3.8544 3.8990 3.8990 3.9905 3.9905 4.0372 4.0372 4.6676 4.6676 4.7267 4.7267 4.8085 4.8085 4.8363 4.8363 5.1077 5.1077 5.2157 5.2157 7.6840 7.6840 7.6897 7.6897 7.8066 7.8066 7.8479 7.8479 8.3491 8.3491 k = 0.4630 0.3315 0.0000 ( 7488 PWs) bands (ev): -6.0366 -6.0366 -5.8671 -5.8671 -5.0853 -5.0853 -5.0849 -5.0849 -0.0660 -0.0660 0.0061 0.0061 1.7660 1.7660 2.0344 2.0344 2.5421 2.5421 2.5537 2.5537 2.8000 2.8000 2.8387 2.8387 2.9314 2.9314 2.9538 2.9538 3.1880 3.1880 3.2130 3.2130 3.8601 3.8601 3.8898 3.8898 3.9955 3.9955 4.0275 4.0275 4.6940 4.6940 4.7444 4.7444 4.7968 4.7968 4.8146 4.8146 5.1146 5.1146 5.1891 5.1891 7.6576 7.6576 7.6616 7.6616 7.7965 7.7965 7.8228 7.8228 8.3909 8.3909 k = 0.4815 0.3447 0.0000 ( 7496 PWs) bands (ev): -5.9954 -5.9954 -5.9106 -5.9106 -5.0853 -5.0853 -5.0852 -5.0852 -0.0483 -0.0483 -0.0125 -0.0125 1.8322 1.8322 1.9671 1.9671 2.5505 2.5505 2.5565 2.5565 2.8146 2.8146 2.8359 2.8359 2.9349 2.9349 2.9476 2.9476 3.1961 3.1961 3.2087 3.2087 3.8665 3.8665 3.8814 3.8814 4.0019 4.0019 4.0181 4.0181 4.7200 4.7200 4.7571 4.7571 4.7801 4.7801 4.7982 4.7982 5.1274 5.1274 5.1653 5.1653 7.6421 7.6421 7.6441 7.6441 7.7921 7.7921 7.8050 7.8050 8.4406 8.4406 k = 0.5000 0.3580 0.0000 ( 7496 PWs) bands (ev): -5.9534 -5.9534 -5.9534 -5.9534 -5.0853 -5.0853 -5.0853 -5.0853 -0.0306 -0.0306 -0.0306 -0.0306 1.8994 1.8994 1.8994 1.8994 2.5553 2.5553 2.5553 2.5553 2.8271 2.8271 2.8271 2.8271 2.9410 2.9410 2.9410 2.9410 3.2030 3.2030 3.2030 3.2030 3.8736 3.8736 3.8736 3.8736 4.0095 4.0095 4.0095 4.0095 4.7446 4.7446 4.7446 4.7446 4.7840 4.7840 4.7840 4.7840 5.1446 5.1446 5.1446 5.1446 7.6376 7.6376 7.6376 7.6376 7.7948 7.7948 7.7948 7.7948 8.4965 8.4965 k = 0.5000 0.3580 0.0000 ( 7496 PWs) bands (ev): -5.9534 -5.9534 -5.9534 -5.9534 -5.0853 -5.0853 -5.0853 -5.0853 -0.0306 -0.0306 -0.0306 -0.0306 1.8994 1.8994 1.8994 1.8994 2.5553 2.5553 2.5553 2.5553 2.8271 2.8271 2.8271 2.8271 2.9410 2.9410 2.9410 2.9410 3.2030 3.2030 3.2030 3.2030 3.8736 3.8736 3.8736 3.8736 4.0095 4.0095 4.0095 4.0095 4.7446 4.7446 4.7446 4.7446 4.7840 4.7840 4.7840 4.7840 5.1446 5.1446 5.1446 5.1446 7.6376 7.6376 7.6376 7.6376 7.7948 7.7948 7.7948 7.7948 8.4965 8.4965 k = 0.4907 0.3710 0.0160 ( 7486 PWs) bands (ev): -5.9528 -5.9528 -5.9527 -5.9527 -5.0871 -5.0870 -5.0853 -5.0852 -0.0335 -0.0285 -0.0278 -0.0266 1.8892 1.8925 1.9022 1.9047 2.5479 2.5540 2.5572 2.5603 2.8128 2.8165 2.8373 2.8399 2.9349 2.9386 2.9429 2.9473 3.2008 3.2009 3.2035 3.2051 3.8720 3.8746 3.8764 3.8765 4.0054 4.0076 4.0115 4.0132 4.7242 4.7325 4.7424 4.7481 4.7807 4.7824 4.7956 4.8041 5.1408 5.1419 5.1423 5.1500 7.6280 7.6394 7.6408 7.6424 7.7943 7.7986 7.8010 7.8112 8.5010 8.5015 k = 0.4814 0.3840 0.0319 ( 7496 PWs) bands (ev): -5.9511 -5.9511 -5.9508 -5.9507 -5.0922 -5.0922 -5.0852 -5.0849 -0.0355 -0.0220 -0.0215 -0.0198 1.8743 1.8816 1.9009 1.9050 2.5349 2.5527 2.5569 2.5685 2.7977 2.8054 2.8470 2.8503 2.9290 2.9353 2.9453 2.9541 3.1967 3.1986 3.2027 3.2072 3.8711 3.8777 3.8820 3.8831 4.0009 4.0054 4.0133 4.0165 4.6970 4.7062 4.7374 4.7480 4.7760 4.7802 4.8206 4.8308 5.1323 5.1344 5.1411 5.1576 7.6153 7.6338 7.6514 7.6550 7.8078 7.8147 7.8166 7.8395 8.5146 8.5157 k = 0.4721 0.3969 0.0479 ( 7486 PWs) bands (ev): -5.9483 -5.9482 -5.9474 -5.9473 -5.1008 -5.1008 -5.0849 -5.0844 -0.0366 -0.0162 -0.0097 -0.0072 1.8553 1.8668 1.8956 1.9004 2.5169 2.5426 2.5628 2.5796 2.7823 2.7937 2.8560 2.8572 2.9232 2.9312 2.9491 2.9613 3.1908 3.1962 3.2011 3.2095 3.8710 3.8815 3.8916 3.8931 3.9962 4.0030 4.0152 4.0193 4.6685 4.6772 4.7306 4.7465 4.7697 4.7749 4.8480 4.8583 5.1188 5.1212 5.1433 5.1674 7.6029 7.6241 7.6698 7.6755 7.8299 7.8414 7.8438 7.8755 8.5375 8.5394 k = 0.4628 0.4099 0.0639 ( 7494 PWs) bands (ev): -5.9443 -5.9442 -5.9428 -5.9426 -5.1127 -5.1126 -5.0845 -5.0839 -0.0368 -0.0097 0.0068 0.0102 1.8325 1.8486 1.8866 1.8914 2.4939 2.5265 2.5719 2.5925 2.7672 2.7816 2.8598 2.8631 2.9173 2.9267 2.9551 2.9690 3.1833 3.1934 3.1994 3.2121 3.8716 3.8856 3.9046 3.9056 3.9914 4.0005 4.0173 4.0216 4.6396 4.6475 4.7217 4.7431 4.7617 4.7664 4.8755 4.8856 5.1015 5.1035 5.1485 5.1795 7.5928 7.6143 7.6960 7.7040 7.8603 7.8750 7.8816 7.9165 8.5700 8.5729 k = 0.4535 0.4229 0.0798 ( 7490 PWs) bands (ev): -5.9392 -5.9392 -5.9368 -5.9366 -5.1277 -5.1277 -5.0840 -5.0832 -0.0362 -0.0023 0.0278 0.0321 1.8068 1.8274 1.8742 1.8785 2.4665 2.5048 2.5835 2.6063 2.7526 2.7690 2.8576 2.8670 2.9115 2.9231 2.9638 2.9772 3.1750 3.1904 3.1981 3.2152 3.8729 3.8903 3.9197 3.9202 3.9869 3.9978 4.0200 4.0238 4.6106 4.6176 4.7108 4.7379 4.7523 4.7546 4.9017 4.9122 5.0820 5.0822 5.1569 5.1940 7.5858 7.6065 7.7298 7.7405 7.8989 7.9169 7.9250 7.9609 8.6121 8.6161 k = 0.4442 0.4359 0.0958 ( 7490 PWs) bands (ev): -5.9331 -5.9330 -5.9295 -5.9293 -5.1458 -5.1457 -5.0833 -5.0824 -0.0349 0.0058 0.0529 0.0583 1.7787 1.8037 1.8589 1.8623 2.4348 2.4778 2.5965 2.6195 2.7389 2.7564 2.8514 2.8658 2.9058 2.9214 2.9749 2.9857 3.1663 3.1873 3.1976 3.2189 3.8749 3.8956 3.9339 3.9375 3.9832 3.9953 4.0235 4.0258 4.5818 4.5878 4.6976 4.7304 4.7399 4.7418 4.9245 4.9367 5.0596 5.0633 5.1685 5.2109 7.5821 7.6014 7.7712 7.7848 7.9448 7.9666 7.9725 8.0074 8.6638 8.6691 k = 0.4349 0.4489 0.1118 ( 7498 PWs) bands (ev): -5.9260 -5.9259 -5.9209 -5.9207 -5.1667 -5.1666 -5.0826 -5.0814 -0.0331 0.0144 0.0820 0.0886 1.7489 1.7780 1.8412 1.8433 2.3992 2.4463 2.6099 2.6302 2.7266 2.7449 2.8423 2.8590 2.9000 2.9217 2.9877 2.9946 3.1577 3.1840 3.1979 3.2235 3.8774 3.9011 3.9465 3.9552 3.9810 3.9934 4.0277 4.0283 4.5535 4.5586 4.6821 4.7184 4.7248 4.7305 4.9388 4.9544 5.0411 5.0515 5.1833 5.2302 7.5818 7.5996 7.8196 7.8368 7.9968 8.0234 8.0239 8.0553 8.7249 8.7317 k = 0.4256 0.4619 0.1278 ( 7502 PWs) bands (ev): -5.9179 -5.9178 -5.9111 -5.9108 -5.1901 -5.1900 -5.0817 -5.0804 -0.0307 0.0234 0.1145 0.1225 1.7179 1.7509 1.8215 1.8224 2.3601 2.4109 2.6219 2.6358 2.7163 2.7359 2.8313 2.8479 2.8946 2.9222 3.0015 3.0040 3.1500 3.1807 3.1991 3.2289 3.8805 3.9069 3.9546 3.9705 3.9824 3.9944 4.0300 4.0351 4.5258 4.5302 4.6642 4.6990 4.7122 4.7187 4.9377 4.9539 5.0389 5.0544 5.2011 5.2516 7.5847 7.6010 7.8748 7.8960 8.0522 8.0805 8.0865 8.1042 8.7951 8.8036 k = 0.4163 0.4748 0.1437 ( 7488 PWs) bands (ev): -5.9090 -5.9088 -5.9000 -5.8997 -5.2159 -5.2158 -5.0807 -5.0793 -0.0280 0.0327 0.1502 0.1598 1.6865 1.7229 1.8000 1.8005 2.3180 2.3725 2.6304 2.6337 2.7092 2.7309 2.8189 2.8345 2.8903 2.9212 3.0137 3.0161 3.1436 3.1774 3.2014 3.2354 3.8841 3.9127 3.9570 3.9772 3.9877 4.0037 4.0331 4.0446 4.4990 4.5028 4.6440 4.6762 4.6986 4.7068 4.9227 4.9336 5.0556 5.0714 5.2214 5.2749 7.5908 7.6055 7.9360 7.9618 8.1081 8.1441 8.1523 8.1566 8.8741 8.8841 k = 0.4070 0.4878 0.1597 ( 7492 PWs) bands (ev): -5.8992 -5.8991 -5.8877 -5.8874 -5.2438 -5.2436 -5.0796 -5.0780 -0.0252 0.0420 0.1885 0.2000 1.6551 1.6947 1.7767 1.7787 2.2733 2.3317 2.6234 2.6329 2.7060 2.7292 2.8052 2.8204 2.8878 2.9178 3.0234 3.0308 3.1390 3.1742 3.2045 3.2429 3.8880 3.9183 3.9564 3.9775 3.9941 4.0173 4.0388 4.0568 4.4733 4.4767 4.6218 4.6515 4.6830 4.6949 4.9015 4.9051 5.0802 5.0957 5.2438 5.2997 7.5999 7.6131 8.0021 8.0333 8.1638 8.2036 8.2147 8.2286 8.9610 8.9726 k = 0.3977 0.5008 0.1757 ( 7490 PWs) bands (ev): -5.8889 -5.8887 -5.8743 -5.8739 -5.2735 -5.2732 -5.0784 -5.0767 -0.0223 0.0511 0.2287 0.2425 1.6243 1.6667 1.7533 1.7568 2.2265 2.2892 2.6065 2.6288 2.7049 2.7282 2.7904 2.8080 2.8881 2.9118 3.0324 3.0456 3.1367 3.1712 3.2085 3.2512 3.8920 3.9234 3.9550 3.9767 3.9999 4.0268 4.0502 4.0711 4.4489 4.4522 4.5980 4.6257 4.6652 4.6831 4.8746 4.8793 5.1073 5.1227 5.2677 5.3255 7.6120 7.6237 8.0717 8.1095 8.2204 8.2552 8.2904 8.3047 9.0552 9.0683 k = 0.3884 0.5138 0.1916 ( 7494 PWs) bands (ev): -5.8780 -5.8778 -5.8596 -5.8592 -5.3045 -5.3042 -5.0772 -5.0754 -0.0197 0.0598 0.2704 0.2868 1.5947 1.6396 1.7302 1.7353 2.1780 2.2458 2.5852 2.6199 2.7005 2.7253 2.7745 2.8004 2.8914 2.9035 3.0400 3.0602 3.1370 3.1685 3.2133 3.2603 3.8960 3.9275 3.9539 3.9764 4.0051 4.0322 4.0660 4.0867 4.4260 4.4294 4.5731 4.5992 4.6454 4.6714 4.8446 4.8587 5.1349 5.1503 5.2928 5.3519 7.6268 7.6370 8.1427 8.1884 8.2797 8.3086 8.3695 8.3826 9.1556 9.1703 k = 0.3792 0.5268 0.2076 ( 7502 PWs) bands (ev): -5.8670 -5.8666 -5.8439 -5.8434 -5.3365 -5.3362 -5.0759 -5.0740 -0.0175 0.0676 0.3128 0.3323 1.5668 1.6138 1.7080 1.7149 2.1284 2.2020 2.5608 2.6082 2.6887 2.7190 2.7579 2.7989 2.8939 2.8972 3.0459 3.0743 3.1403 3.1663 3.2190 3.2699 3.8997 3.9306 3.9534 3.9772 4.0101 4.0363 4.0828 4.1027 4.4047 4.4085 4.5476 4.5725 4.6241 4.6595 4.8166 4.8410 5.1623 5.1775 5.3183 5.3783 7.6444 7.6531 8.2125 8.2672 8.3432 8.3657 8.4499 8.4603 9.2613 9.2779 k = 0.3699 0.5398 0.2236 ( 7498 PWs) bands (ev): -5.8559 -5.8555 -5.8271 -5.8265 -5.3690 -5.3686 -5.0746 -5.0725 -0.0159 0.0744 0.3550 0.3782 1.5413 1.5898 1.6876 1.6963 2.0781 2.1584 2.5340 2.5949 2.6695 2.7085 2.7414 2.8007 2.8847 2.9047 3.0498 3.0876 3.1462 3.1647 3.2258 3.2797 3.9030 3.9325 3.9537 3.9791 4.0154 4.0405 4.0993 4.1188 4.3853 4.3897 4.5220 4.5463 4.6017 4.6474 4.7916 4.8268 5.1887 5.2034 5.3438 5.4042 7.6645 7.6717 8.2786 8.3413 8.4121 8.4295 8.5297 8.5358 9.3710 9.3900 k = 0.3606 0.5527 0.2395 ( 7488 PWs) bands (ev): -5.8453 -5.8449 -5.8092 -5.8086 -5.4015 -5.4010 -5.0732 -5.0711 -0.0151 0.0798 0.3962 0.4238 1.5186 1.5679 1.6696 1.6803 2.0275 2.1156 2.5054 2.5805 2.6450 2.6930 2.7262 2.8004 2.8789 2.9128 3.0521 3.0997 3.1543 3.1636 3.2338 3.2895 3.9057 3.9335 3.9549 3.9822 4.0212 4.0450 4.1151 4.1346 4.3678 4.3731 4.4966 4.5208 4.5790 4.6350 4.7705 4.8163 5.2138 5.2275 5.3687 5.4291 7.6872 7.6928 8.3394 8.4066 8.4863 8.5021 8.6064 8.6068 9.4832 9.5057 k = 0.3513 0.5657 0.2555 ( 7488 PWs) bands (ev): -5.8358 -5.8353 -5.7904 -5.7897 -5.4331 -5.4325 -5.0718 -5.0696 -0.0154 0.0834 0.4355 0.4682 1.4992 1.5483 1.6551 1.6675 1.9770 2.0742 2.4752 2.5653 2.6169 2.6731 2.7123 2.7937 2.8792 2.9208 3.0531 3.1104 3.1631 3.1641 3.2435 3.2989 3.9077 3.9340 3.9568 3.9858 4.0276 4.0498 4.1299 4.1497 4.3524 4.3589 4.4720 4.4963 4.5570 4.6222 4.7539 4.8097 5.2370 5.2492 5.3926 5.4525 7.7124 7.7162 8.3949 8.4634 8.5632 8.5809 8.6709 8.6775 9.5954 9.6239 k = 0.3420 0.5787 0.2715 ( 7484 PWs) bands (ev): -5.8282 -5.8276 -5.7706 -5.7699 -5.4629 -5.4622 -5.0704 -5.0681 -0.0170 0.0849 0.4718 0.5105 1.4838 1.5309 1.6452 1.6588 1.9271 2.0346 2.4438 2.5496 2.5862 2.6500 2.6992 2.7802 2.8850 2.9281 3.0534 3.1192 3.1631 3.1748 3.2548 3.3078 3.9091 3.9343 3.9592 3.9898 4.0349 4.0548 4.1437 4.1639 4.3393 4.3471 4.4484 4.4730 4.5365 4.6095 4.7419 4.8067 5.2580 5.2680 5.4148 5.4739 7.7399 7.7418 8.4455 8.5140 8.6395 8.6595 8.7269 8.7409 9.7035 9.7426 k = 0.3327 0.5917 0.2874 ( 7472 PWs) bands (ev): -5.8235 -5.8228 -5.7499 -5.7492 -5.4897 -5.4888 -5.0691 -5.0666 -0.0201 0.0841 0.5043 0.5498 1.4726 1.5152 1.6413 1.6546 1.8784 1.9976 2.4112 2.5333 2.5536 2.6246 2.6862 2.7621 2.8938 2.9345 3.0534 3.1260 3.1636 3.1861 3.2679 3.3160 3.9100 3.9345 3.9620 3.9939 4.0427 4.0598 4.1565 4.1769 4.3285 4.3379 4.4263 4.4510 4.5182 4.5973 4.7346 4.8075 5.2762 5.2834 5.4351 5.4929 7.7696 7.7696 8.4914 8.5595 8.7101 8.7290 8.7783 8.7964 9.8006 9.8574 k = 0.3234 0.6047 0.3034 ( 7478 PWs) bands (ev): -5.8232 -5.8223 -5.7284 -5.7277 -5.5119 -5.5108 -5.0677 -5.0652 -0.0249 0.0806 0.5321 0.5852 1.4660 1.5005 1.6445 1.6553 1.8316 1.9635 2.3779 2.5164 2.5194 2.5975 2.6733 2.7414 2.9034 2.9399 3.0533 3.1309 3.1644 3.1974 3.2824 3.3234 3.9106 3.9349 3.9650 3.9979 4.0511 4.0645 4.1682 4.1885 4.3201 4.3315 4.4061 4.4302 4.5028 4.5863 4.7316 4.8119 5.2912 5.2950 5.4529 5.5093 7.7993 7.8016 8.5322 8.5995 8.7668 8.7738 8.8378 8.8491 9.8808 9.9570 k = 0.3141 0.6177 0.3194 ( 7478 PWs) bands (ev): -5.8286 -5.8276 -5.7062 -5.7054 -5.5280 -5.5268 -5.0663 -5.0638 -0.0314 0.0743 0.5548 0.6159 1.4643 1.4864 1.6557 1.6597 1.7885 1.9331 2.3440 2.4839 2.4992 2.5689 2.6605 2.7196 2.9126 2.9442 3.0533 3.1340 3.1654 3.2086 3.2981 3.3300 3.9108 3.9355 3.9679 4.0018 4.0596 4.0686 4.1788 4.1983 4.3140 4.3279 4.3883 4.4107 4.4905 4.5769 4.7326 4.8200 5.3024 5.3027 5.4679 5.5227 7.8307 7.8355 8.5675 8.6332 8.7955 8.8013 8.9038 8.9062 9.9468 10.0366 k = 0.3141 0.6177 0.3194 ( 7478 PWs) bands (ev): -5.8286 -5.8276 -5.7062 -5.7054 -5.5280 -5.5268 -5.0663 -5.0638 -0.0314 0.0743 0.5548 0.6159 1.4643 1.4864 1.6557 1.6597 1.7885 1.9331 2.3440 2.4839 2.4992 2.5689 2.6605 2.7196 2.9126 2.9442 3.0533 3.1340 3.1654 3.2086 3.2981 3.3300 3.9108 3.9355 3.9679 4.0018 4.0596 4.0686 4.1788 4.1983 4.3140 4.3279 4.3883 4.4107 4.4905 4.5769 4.7326 4.8200 5.3024 5.3027 5.4679 5.5227 7.8307 7.8355 8.5675 8.6332 8.7955 8.8013 8.9038 8.9062 9.9468 10.0366 k = 0.2931 0.6117 0.3267 ( 7487 PWs) bands (ev): -5.8366 -5.8357 -5.6940 -5.6932 -5.5307 -5.5295 -5.0661 -5.0635 -0.0359 0.0688 0.5645 0.6287 1.4626 1.4801 1.6573 1.6723 1.7695 1.9182 2.3298 2.4664 2.4899 2.5518 2.6583 2.7126 2.9162 2.9470 3.0522 3.1343 3.1639 3.2138 3.3053 3.3328 3.9106 3.9365 3.9690 4.0027 4.0643 4.0704 4.1809 4.2035 4.3121 4.3290 4.3817 4.4023 4.4879 4.5749 4.7343 4.8241 5.2867 5.3046 5.4828 5.5341 7.8492 7.8570 8.5815 8.6458 8.7932 8.8019 8.9415 8.9451 9.9703 10.0576 k = 0.2722 0.6057 0.3341 ( 7486 PWs) bands (ev): -5.8495 -5.8487 -5.6828 -5.6821 -5.5257 -5.5244 -5.0667 -5.0641 -0.0423 0.0596 0.5755 0.6410 1.4588 1.4743 1.6596 1.6884 1.7522 1.9003 2.3179 2.4462 2.4798 2.5289 2.6629 2.7121 2.9191 2.9516 3.0489 3.1328 3.1593 3.2184 3.3120 3.3359 3.9099 3.9387 3.9697 4.0020 4.0696 4.0729 4.1793 4.2098 4.3109 4.3342 4.3780 4.3958 4.4890 4.5763 4.7366 4.8268 5.2589 5.2875 5.5087 5.5518 7.8756 7.8884 8.5940 8.6558 8.7827 8.7924 8.9919 8.9945 9.9853 10.0597 k = 0.2513 0.5998 0.3414 ( 7487 PWs) bands (ev): -5.8642 -5.8634 -5.6770 -5.6763 -5.5121 -5.5108 -5.0682 -5.0656 -0.0503 0.0470 0.5879 0.6530 1.4536 1.4707 1.6556 1.7045 1.7438 1.8808 2.3052 2.4252 2.4663 2.5076 2.6721 2.7164 2.9215 2.9575 3.0437 3.1293 3.1529 3.2211 3.3180 3.3399 3.9088 3.9419 3.9703 4.0001 4.0723 4.0783 4.1762 4.2150 4.3099 4.3418 4.3782 4.3941 4.4931 4.5805 4.7389 4.8279 5.2255 5.2599 5.5362 5.5690 7.9100 7.9291 8.6060 8.6644 8.7703 8.7815 9.0504 9.0511 9.9916 10.0510 k = 0.2303 0.5938 0.3487 ( 7492 PWs) bands (ev): -5.8790 -5.8783 -5.6767 -5.6760 -5.4912 -5.4898 -5.0708 -5.0681 -0.0597 0.0317 0.6016 0.6648 1.4465 1.4713 1.6388 1.7205 1.7481 1.8614 2.2880 2.4069 2.4428 2.4983 2.6840 2.7237 2.9238 2.9645 3.0368 3.1236 3.1457 3.2212 3.3235 3.3444 3.9076 3.9455 3.9710 3.9978 4.0733 4.0845 4.1730 4.2180 4.3085 4.3471 4.3845 4.4001 4.4998 4.5871 4.7409 4.8271 5.1895 5.2270 5.5598 5.5818 7.9521 7.9785 8.6186 8.6733 8.7579 8.7720 9.1135 9.1178 9.9906 10.0371 k = 0.2094 0.5878 0.3561 ( 7494 PWs) bands (ev): -5.8934 -5.8927 -5.6802 -5.6796 -5.4654 -5.4640 -5.0745 -5.0718 -0.0700 0.0144 0.6165 0.6762 1.4383 1.4757 1.6132 1.7361 1.7593 1.8439 2.2641 2.3860 2.4217 2.4985 2.6973 2.7326 2.9264 2.9720 3.0289 3.1151 3.1385 3.2188 3.3289 3.3491 3.9067 3.9486 3.9721 3.9959 4.0738 4.0898 4.1706 4.2189 4.3065 4.3465 4.4003 4.4137 4.5087 4.5957 4.7428 4.8247 5.1524 5.1912 5.5770 5.5884 8.0013 8.0359 8.6325 8.6840 8.7465 8.7661 9.1840 9.1925 9.9845 10.0206 k = 0.1884 0.5819 0.3634 ( 7488 PWs) bands (ev): -5.9068 -5.9062 -5.6858 -5.6852 -5.4370 -5.4355 -5.0794 -5.0768 -0.0808 -0.0041 0.6322 0.6873 1.4298 1.4834 1.5841 1.7494 1.7717 1.8309 2.2353 2.3529 2.4178 2.5027 2.7110 2.7422 2.9296 2.9794 3.0205 3.1040 3.1316 3.2140 3.3343 3.3536 3.9062 3.9503 3.9739 3.9949 4.0738 4.0938 4.1694 4.2183 4.3041 4.3425 4.4232 4.4328 4.5197 4.6059 4.7445 4.8206 5.1149 5.1540 5.5853 5.5897 8.0572 8.1006 8.6478 8.6954 8.7364 8.7666 9.2621 9.2748 9.9755 10.0032 k = 0.1675 0.5759 0.3707 ( 7496 PWs) bands (ev): -5.9191 -5.9186 -5.6922 -5.6917 -5.4074 -5.4059 -5.0857 -5.0831 -0.0916 -0.0232 0.6483 0.6980 1.4215 1.4938 1.5544 1.7565 1.7829 1.8257 2.2048 2.3149 2.4237 2.5088 2.7247 2.7517 2.9338 2.9853 3.0133 3.0910 3.1251 3.2073 3.3398 3.3577 3.9061 3.9500 3.9768 3.9953 4.0735 4.0963 4.1696 4.2165 4.3017 4.3374 4.4497 4.4562 4.5329 4.6173 4.7461 4.8151 5.0778 5.1162 5.5800 5.5906 8.1190 8.1718 8.6632 8.7039 8.7292 8.7776 9.3475 9.3641 9.9653 9.9860 k = 0.1466 0.5699 0.3781 ( 7496 PWs) bands (ev): -5.9302 -5.9297 -5.6987 -5.6983 -5.3777 -5.3762 -5.0933 -5.0908 -0.1020 -0.0421 0.6643 0.7081 1.4135 1.5065 1.5254 1.7550 1.7925 1.8292 2.1755 2.2765 2.4342 2.5154 2.7377 2.7608 2.9391 2.9860 3.0110 3.0770 3.1188 3.1992 3.3451 3.3612 3.9065 3.9479 3.9805 3.9970 4.0730 4.0975 4.1708 4.2141 4.2996 4.3322 4.4772 4.4834 4.5482 4.6294 4.7479 4.8086 5.0416 5.0784 5.5678 5.5858 8.1859 8.2485 8.6753 8.7053 8.7297 8.7994 9.4396 9.4593 9.9554 9.9697 k = 0.1256 0.5640 0.3854 ( 7509 PWs) bands (ev): -5.9399 -5.9395 -5.7049 -5.7045 -5.3485 -5.3469 -5.1025 -5.1000 -0.1115 -0.0603 0.6798 0.7174 1.4062 1.4981 1.5214 1.7472 1.8010 1.8373 2.1493 2.2397 2.4470 2.5218 2.7498 2.7692 2.9454 2.9806 3.0140 3.0631 3.1130 3.1901 3.3500 3.3641 3.9073 3.9445 3.9844 3.9995 4.0726 4.0976 4.1729 4.2113 4.2980 4.3270 4.5042 4.5130 4.5660 4.6417 4.7501 4.8011 5.0066 5.0411 5.5515 5.5751 8.2569 8.3294 8.6811 8.7004 8.7409 8.8271 9.5371 9.5586 9.9472 9.9555 k = 0.1047 0.5580 0.3928 ( 7504 PWs) bands (ev): -5.9482 -5.9479 -5.7104 -5.7101 -5.3202 -5.3185 -5.1132 -5.1107 -0.1196 -0.0771 0.6943 0.7255 1.3999 1.4735 1.5382 1.7358 1.8085 1.8457 2.1276 2.2054 2.4610 2.5272 2.7604 2.7770 2.9519 2.9740 3.0171 3.0510 3.1082 3.1801 3.3545 3.3664 3.9085 3.9405 3.9885 4.0023 4.0726 4.0968 4.1755 4.2083 4.2970 4.3220 4.5306 4.5417 4.5870 4.6534 4.7530 4.7930 4.9735 5.0049 5.5333 5.5600 8.3307 8.4131 8.6820 8.6940 8.7564 8.8546 9.6379 9.6583 9.9410 9.9465 k = 0.0838 0.5520 0.4001 ( 7506 PWs) bands (ev): -5.9550 -5.9548 -5.7151 -5.7148 -5.2931 -5.2913 -5.1254 -5.1230 -0.1261 -0.0922 0.7074 0.7322 1.3950 1.4517 1.5566 1.7218 1.8157 1.8523 2.1114 2.1747 2.4752 2.5309 2.7694 2.7838 2.9559 2.9706 3.0155 3.0434 3.1055 3.1697 3.3585 3.3680 3.9102 3.9363 3.9925 4.0049 4.0732 4.0950 4.1784 4.2051 4.2966 4.3173 4.5554 4.5672 4.6112 4.6641 4.7565 4.7847 4.9432 4.9705 5.5152 5.5421 8.4054 8.4973 8.6812 8.6878 8.7692 8.8765 9.7362 9.7494 9.9361 9.9505 k = 0.0628 0.5461 0.4074 ( 7506 PWs) bands (ev): -5.9604 -5.9602 -5.7188 -5.7186 -5.2676 -5.2658 -5.1390 -5.1367 -0.1305 -0.1053 0.7187 0.7371 1.3920 1.4331 1.5766 1.7050 1.8231 1.8558 2.1006 2.1483 2.4889 2.5324 2.7770 2.7893 2.9554 2.9722 3.0105 3.0393 3.1060 3.1589 3.3619 3.3690 3.9123 3.9322 3.9963 4.0066 4.0746 4.0926 4.1816 4.2018 4.2970 4.3129 4.5773 4.5885 4.6370 4.6736 4.7603 4.7765 4.9167 4.9388 5.4996 5.5236 8.4788 8.5787 8.6797 8.6826 8.7751 8.8873 9.8134 9.8156 9.9411 9.9631 k = 0.0419 0.5401 0.4148 ( 7504 PWs) bands (ev): -5.9642 -5.9641 -5.7215 -5.7214 -5.2442 -5.2424 -5.1538 -5.1516 -0.1327 -0.1159 0.7278 0.7400 1.3912 1.4180 1.5978 1.6857 1.8311 1.8560 2.0954 2.1270 2.5015 2.5314 2.7833 2.7927 2.9546 2.9720 3.0088 3.0348 3.1102 3.1479 3.3646 3.3694 3.9148 3.9281 3.9997 4.0072 4.0768 4.0897 4.1849 4.1984 4.2981 4.3089 4.5951 4.6046 4.6605 4.6820 4.7637 4.7694 4.8958 4.9114 5.4886 5.5066 8.5475 8.6498 8.6758 8.6816 8.7747 8.8826 9.8410 9.8491 9.9375 9.9501 k = 0.0209 0.5341 0.4221 ( 7505 PWs) bands (ev): -5.9665 -5.9664 -5.7232 -5.7231 -5.2242 -5.2227 -5.1682 -5.1665 -0.1325 -0.1241 0.7346 0.7407 1.3932 1.4064 1.6199 1.6646 1.8393 1.8528 2.0954 2.1111 2.5124 2.5277 2.7884 2.7935 2.9564 2.9671 3.0132 3.0284 3.1175 3.1371 3.3667 3.3691 3.9176 3.9243 4.0028 4.0067 4.0797 4.0864 4.1882 4.1950 4.2999 4.3054 4.6078 4.6137 4.6778 4.6882 4.7651 4.7652 4.8829 4.8910 5.4835 5.4932 8.6069 8.6666 8.6832 8.6934 8.7848 8.8602 9.8476 9.8520 9.9209 9.9271 k = 0.0000 0.5282 0.4294 ( 7498 PWs) bands (ev): -5.9672 -5.9672 -5.7237 -5.7237 -5.2136 -5.2136 -5.1754 -5.1754 -0.1296 -0.1296 0.7389 0.7389 1.3981 1.3981 1.6423 1.6423 1.8469 1.8469 2.1006 2.1006 2.5213 2.5213 2.7919 2.7919 2.9609 2.9609 3.0207 3.0207 3.1268 3.1268 3.3682 3.3682 3.9208 3.9208 4.0052 4.0052 4.0830 4.0830 4.1916 4.1916 4.3024 4.3024 4.6145 4.6145 4.6874 4.6874 4.7648 4.7648 4.8808 4.8808 5.4851 5.4851 8.6485 8.6485 8.6908 8.6908 8.8227 8.8227 9.8491 9.8491 9.9167 9.9167 k = 0.0000 0.5282 0.4294 ( 7498 PWs) bands (ev): -5.9672 -5.9672 -5.7237 -5.7237 -5.2136 -5.2136 -5.1754 -5.1754 -0.1296 -0.1296 0.7389 0.7389 1.3981 1.3981 1.6423 1.6423 1.8469 1.8469 2.1006 2.1006 2.5213 2.5213 2.7919 2.7919 2.9609 2.9609 3.0207 3.0207 3.1268 3.1268 3.3682 3.3682 3.9208 3.9208 4.0052 4.0052 4.0830 4.0830 4.1916 4.1916 4.3024 4.3024 4.6145 4.6145 4.6874 4.6874 4.7648 4.7648 4.8808 4.8808 5.4851 5.4851 8.6485 8.6485 8.6908 8.6908 8.8227 8.8227 9.8491 9.8491 9.9167 9.9167 k = 0.0093 0.5152 0.4454 ( 7506 PWs) bands (ev): -5.9666 -5.9666 -5.7233 -5.7232 -5.2142 -5.2142 -5.1758 -5.1758 -0.1324 -0.1282 0.7341 0.7369 1.3873 1.3964 1.6430 1.6537 1.8428 1.8454 2.0897 2.1121 2.5260 2.5268 2.7911 2.7965 2.9578 2.9635 3.0201 3.0217 3.1232 3.1313 3.3668 3.3691 3.9202 3.9208 4.0017 4.0090 4.0818 4.0848 4.1830 4.1974 4.2953 4.3149 4.6147 4.6164 4.6833 4.6914 4.7622 4.7692 4.8790 4.8887 5.4836 5.4849 8.6441 8.6472 8.6889 8.6903 8.8173 8.8240 9.8395 9.8571 9.9199 9.9254 k = 0.0185 0.5023 0.4613 ( 7506 PWs) bands (ev): -5.9649 -5.9649 -5.7219 -5.7218 -5.2160 -5.2159 -5.1769 -5.1768 -0.1365 -0.1282 0.7228 0.7282 1.3670 1.3821 1.6542 1.6731 1.8348 1.8382 2.0814 2.1240 2.5399 2.5422 2.7938 2.8047 2.9541 2.9658 3.0202 3.0226 3.1211 3.1366 3.3650 3.3695 3.9192 3.9201 3.9988 4.0129 4.0813 4.0871 4.1736 4.1987 4.2957 4.3307 4.6167 4.6204 4.6792 4.6960 4.7628 4.7741 4.8843 4.9016 5.4802 5.4829 8.6321 8.6406 8.6870 8.6872 8.8084 8.8217 9.8312 9.8609 9.9364 9.9419 k = 0.0278 0.4894 0.4772 ( 7504 PWs) bands (ev): -5.9620 -5.9619 -5.7197 -5.7196 -5.2190 -5.2188 -5.1788 -5.1786 -0.1419 -0.1296 0.7055 0.7132 1.3408 1.3585 1.6691 1.6936 1.8267 1.8282 2.0779 2.1373 2.5608 2.5660 2.7998 2.8165 2.9498 2.9680 3.0212 3.0232 3.1204 3.1423 3.3627 3.3693 3.9180 3.9184 3.9967 4.0168 4.0817 4.0897 4.1644 4.1955 4.3039 4.3485 4.6197 4.6259 4.6760 4.7017 4.7670 4.7788 4.8971 4.9189 5.4751 5.4791 8.6112 8.6274 8.6831 8.6863 8.7972 8.8171 9.8245 9.8620 9.9615 9.9630 k = 0.0370 0.4764 0.4931 ( 7506 PWs) bands (ev): -5.9579 -5.9579 -5.7166 -5.7164 -5.2231 -5.2228 -5.1814 -5.1811 -0.1484 -0.1323 0.6828 0.6926 1.3110 1.3289 1.6762 1.7030 1.8249 1.8270 2.0810 2.1534 2.5867 2.5960 2.8085 2.8314 2.9452 2.9704 3.0231 3.0232 3.1214 3.1482 3.3601 3.3686 3.9158 3.9167 3.9956 4.0206 4.0830 4.0922 4.1560 4.1896 4.3182 4.3674 4.6227 4.6308 4.6758 4.7094 4.7750 4.7839 4.9168 4.9401 5.4682 5.4735 8.5826 8.6071 8.6795 8.6862 8.7857 8.8112 9.8180 9.8622 9.9843 9.9882 k = 0.0463 0.4635 0.5090 ( 7504 PWs) bands (ev): -5.9527 -5.9526 -5.7126 -5.7124 -5.2283 -5.2280 -5.1847 -5.1844 -0.1557 -0.1360 0.6558 0.6671 1.2791 1.2955 1.6656 1.6895 1.8400 1.8438 2.0907 2.1731 2.6156 2.6300 2.8195 2.8491 2.9404 2.9734 3.0227 3.0261 3.1238 3.1541 3.3571 3.3672 3.9123 3.9155 3.9954 4.0243 4.0852 4.0943 4.1488 4.1832 4.3368 4.3870 4.6246 4.6322 4.6822 4.7197 4.7862 4.7905 4.9423 4.9650 5.4596 5.4661 8.5483 8.5808 8.6762 8.6850 8.7759 8.8052 9.8093 9.8614 9.9994 10.0082 k = 0.0556 0.4506 0.5249 ( 7504 PWs) bands (ev): -5.9463 -5.9463 -5.7078 -5.7075 -5.2346 -5.2343 -5.1887 -5.1883 -0.1636 -0.1406 0.6250 0.6377 1.2457 1.2599 1.6383 1.6568 1.8706 1.8757 2.1064 2.1967 2.6457 2.6662 2.8319 2.8688 2.9357 2.9770 3.0217 3.0300 3.1274 3.1597 3.3538 3.3652 3.9083 3.9144 3.9961 4.0280 4.0883 4.0956 4.1430 4.1777 4.3586 4.4069 4.6243 4.6293 4.6960 4.7333 4.7996 4.8004 4.9725 4.9934 5.4491 5.4569 8.5103 8.5507 8.6723 8.6808 8.7698 8.8001 9.7950 9.8581 10.0005 10.0120 k = 0.0648 0.4376 0.5408 ( 7498 PWs) bands (ev): -5.9389 -5.9388 -5.7021 -5.7018 -5.2421 -5.2417 -5.1934 -5.1930 -0.1718 -0.1458 0.5915 0.6053 1.2112 1.2229 1.6006 1.6139 1.9087 1.9163 2.1273 2.2239 2.6760 2.7031 2.8452 2.8898 2.9313 2.9817 3.0209 3.0349 3.1319 3.1651 3.3503 3.3625 3.9040 3.9134 3.9974 4.0316 4.0920 4.0961 4.1391 4.1741 4.3830 4.4272 4.6215 4.6238 4.7155 4.7502 4.8118 4.8171 5.0065 5.0250 5.4370 5.4460 8.4705 8.5190 8.6666 8.6728 8.7685 8.7968 9.7704 9.8481 9.9867 9.9953 k = 0.0741 0.4247 0.5567 ( 7504 PWs) bands (ev): -5.9303 -5.9303 -5.6957 -5.6953 -5.2505 -5.2501 -5.1988 -5.1984 -0.1802 -0.1514 0.5558 0.5706 1.1761 1.1852 1.5569 1.5657 1.9503 1.9616 2.1522 2.2543 2.7052 2.7393 2.8585 2.9109 2.9278 2.9874 3.0208 3.0409 3.1367 3.1700 3.3466 3.3593 3.8996 3.9126 3.9991 4.0352 4.0956 4.0960 4.1374 4.1726 4.4097 4.4480 4.6163 4.6172 4.7388 4.7697 4.8276 4.8361 5.0433 5.0595 5.4230 5.4335 8.4304 8.4872 8.6583 8.6613 8.7715 8.7958 9.7317 9.8233 9.9673 9.9692 k = 0.0833 0.4118 0.5726 ( 7506 PWs) bands (ev): -5.9208 -5.9207 -5.6885 -5.6881 -5.2600 -5.2595 -5.2050 -5.2045 -0.1883 -0.1570 0.5187 0.5344 1.1406 1.1473 1.5097 1.5147 1.9937 2.0095 2.1805 2.2873 2.7326 2.7737 2.8713 2.9222 2.9346 2.9934 3.0227 3.0479 3.1416 3.1744 3.3428 3.3555 3.8955 3.9118 4.0008 4.0386 4.0947 4.0999 4.1385 4.1729 4.4388 4.4695 4.6093 4.6104 4.7650 4.7911 4.8469 4.8570 5.0824 5.0963 5.4075 5.4197 8.3914 8.4566 8.6470 8.6473 8.7775 8.7972 9.6791 9.7765 9.9300 9.9564 k = 0.0926 0.3988 0.5885 ( 7502 PWs) bands (ev): -5.9101 -5.9101 -5.6807 -5.6802 -5.2704 -5.2699 -5.2118 -5.2113 -0.1959 -0.1625 0.4805 0.4972 1.1051 1.1096 1.4606 1.4624 2.0378 2.0587 2.2115 2.3222 2.7572 2.8049 2.8838 2.9210 2.9540 2.9987 3.0282 3.0562 3.1463 3.1783 3.3390 3.3512 3.8919 3.9112 4.0024 4.0418 4.0938 4.1034 4.1426 4.1747 4.4701 4.4922 4.6011 4.6037 4.7930 4.8136 4.8697 4.8798 5.1230 5.1347 5.3907 5.4049 8.3544 8.4281 8.6316 8.6330 8.7854 8.8007 9.6164 9.7120 9.8802 9.9420 k = 0.1019 0.3859 0.6044 ( 7490 PWs) bands (ev): -5.8985 -5.8985 -5.6722 -5.6717 -5.2817 -5.2812 -5.2193 -5.2187 -0.2029 -0.1675 0.4419 0.4595 1.0699 1.0726 1.4097 1.4105 2.0822 2.1086 2.2444 2.3585 2.7782 2.8312 2.8967 2.9208 2.9722 3.0027 3.0379 3.0655 3.1505 3.1819 3.3354 3.3467 3.8888 3.9106 4.0036 4.0446 4.0936 4.1066 4.1495 4.1775 4.5036 4.5160 4.5922 4.5980 4.8221 4.8368 4.8955 4.9041 5.1644 5.1736 5.3727 5.3900 8.3202 8.4024 8.6147 8.6164 8.7939 8.8055 9.5478 9.6382 9.8266 9.8828 k = 0.1111 0.3730 0.6203 ( 7490 PWs) bands (ev): -5.8860 -5.8859 -5.6631 -5.6626 -5.2939 -5.2933 -5.2274 -5.2268 -0.2089 -0.1718 0.4031 0.4217 1.0354 1.0368 1.3573 1.3602 2.1264 2.1586 2.2789 2.3955 2.7948 2.8506 2.9115 2.9226 2.9879 3.0065 3.0505 3.0757 3.1539 3.1853 3.3321 3.3422 3.8864 3.9099 4.0040 4.0468 4.0944 4.1101 4.1584 4.1809 4.5386 4.5400 4.5838 4.5947 4.8512 4.8604 4.9233 4.9296 5.2056 5.2115 5.3543 5.3761 8.2893 8.3798 8.5968 8.5977 8.8024 8.8109 9.4764 9.5606 9.7720 9.8212 k = 0.1204 0.3600 0.6362 ( 7484 PWs) bands (ev): -5.8725 -5.8725 -5.6536 -5.6531 -5.3067 -5.3061 -5.2362 -5.2356 -0.2137 -0.1752 0.3644 0.3841 1.0020 1.0023 1.3056 1.3104 2.1702 2.2084 2.3143 2.4328 2.8065 2.8626 2.9267 2.9280 3.0009 3.0113 3.0643 3.0862 3.1566 3.1886 3.3295 3.3379 3.8847 3.9093 4.0037 4.0486 4.0966 4.1144 4.1684 4.1845 4.5590 4.5659 4.5851 4.5994 4.8797 4.8846 4.9518 4.9562 5.2451 5.2457 5.3368 5.3661 8.2621 8.3605 8.5772 8.5776 8.8100 8.8159 9.4042 9.4821 9.7187 9.7616 k = 0.1296 0.3471 0.6521 ( 7486 PWs) bands (ev): -5.8582 -5.8581 -5.6437 -5.6431 -5.3202 -5.3196 -5.2456 -5.2450 -0.2171 -0.1774 0.3260 0.3469 0.9697 0.9701 1.2551 1.2614 2.2132 2.2577 2.3504 2.4697 2.8135 2.8688 2.9327 2.9440 3.0111 3.0181 3.0779 3.0963 3.1584 3.1919 3.3276 3.3343 3.8838 3.9086 4.0027 4.0497 4.1002 4.1196 4.1788 4.1883 4.5622 4.5650 4.6193 4.6204 4.9066 4.9092 4.9800 4.9835 5.2705 5.2781 5.3253 5.3655 8.2388 8.3444 8.5554 8.5571 8.8161 8.8196 9.3324 9.4041 9.6692 9.7066 k = 0.1389 0.3342 0.6680 ( 7492 PWs) bands (ev): -5.8431 -5.8430 -5.6337 -5.6330 -5.3341 -5.3335 -5.2556 -5.2549 -0.2190 -0.1783 0.2882 0.3103 0.9393 0.9400 1.2061 1.2138 2.2552 2.3063 2.3867 2.5059 2.8164 2.8714 2.9397 2.9575 3.0189 3.0274 3.0899 3.1055 3.1598 3.1953 3.3269 3.3316 3.8836 3.9079 4.0010 4.0505 4.1052 4.1260 4.1889 4.1920 4.5551 4.5642 4.6513 4.6587 4.9310 4.9342 5.0064 5.0110 5.2809 5.2860 5.3388 5.3798 8.2194 8.3314 8.5325 8.5352 8.8199 8.8210 9.2620 9.3277 9.6255 9.6580 k = 0.1481 0.3212 0.6839 ( 7490 PWs) bands (ev): -5.8272 -5.8272 -5.6235 -5.6228 -5.3484 -5.3477 -5.2661 -5.2655 -0.2192 -0.1777 0.2510 0.2744 0.9113 0.9121 1.1590 1.1677 2.2961 2.3540 2.4230 2.5409 2.8163 2.8716 2.9463 2.9678 3.0245 3.0382 3.0994 3.1137 3.1613 3.1985 3.3274 3.3303 3.8840 3.9072 3.9988 4.0509 4.1111 4.1334 4.1958 4.1983 4.5489 4.5623 4.6855 4.6978 4.9522 4.9594 5.0299 5.0384 5.2775 5.2819 5.3694 5.4045 8.2038 8.3212 8.5089 8.5117 8.8195 8.8207 9.1938 9.2536 9.5897 9.6175 k = 0.1574 0.3083 0.6998 ( 7480 PWs) bands (ev): -5.8107 -5.8106 -5.6136 -5.6128 -5.3626 -5.3620 -5.2771 -5.2765 -0.2176 -0.1754 0.2147 0.2394 0.8861 0.8868 1.1141 1.1236 2.3356 2.4006 2.4590 2.5743 2.8139 2.8702 2.9508 2.9751 3.0288 3.0488 3.1060 3.1208 3.1633 3.2013 3.3294 3.3306 3.8851 3.9065 3.9962 4.0511 4.1179 4.1418 4.1995 4.2068 4.5444 4.5611 4.7198 4.7346 4.9702 4.9845 5.0498 5.0656 5.2707 5.2816 5.4001 5.4315 8.1920 8.3135 8.4853 8.4868 8.8144 8.8181 9.1282 9.1824 9.5631 9.5865 k = 0.1667 0.2954 0.7157 ( 7478 PWs) bands (ev): -5.7935 -5.7935 -5.6042 -5.6034 -5.3765 -5.3759 -5.2886 -5.2880 -0.2141 -0.1715 0.1792 0.2053 0.8639 0.8642 1.0714 1.0816 2.3733 2.4462 2.4944 2.6058 2.8099 2.8675 2.9520 2.9798 3.0327 3.0571 3.1107 3.1269 3.1660 3.2034 3.3325 3.3326 3.8867 3.9059 3.9934 4.0511 4.1250 4.1509 4.2032 4.2142 4.5421 4.5612 4.7507 4.7663 4.9864 5.0094 5.0666 5.0925 5.2696 5.2843 5.4275 5.4566 8.1837 8.3078 8.4607 8.4621 8.8056 8.8118 9.0660 9.1144 9.5467 9.5660 k = 0.1759 0.2825 0.7316 ( 7474 PWs) bands (ev): -5.7758 -5.7758 -5.5957 -5.5949 -5.3897 -5.3891 -5.3005 -5.2999 -0.2087 -0.1656 0.1448 0.1722 0.8447 0.8450 1.0314 1.0421 2.4092 2.4904 2.5292 2.6352 2.8049 2.8639 2.9488 2.9818 3.0371 3.0618 3.1153 3.1319 3.1689 3.2049 3.3359 3.3369 3.8887 3.9053 3.9906 4.0511 4.1322 4.1605 4.2069 4.2203 4.5424 4.5631 4.7740 4.7895 5.0039 5.0342 5.0820 5.1188 5.2749 5.2911 5.4505 5.4777 8.1786 8.3037 8.4341 8.4401 8.7936 8.8020 9.0075 9.0504 9.5408 9.5563 k = 0.1852 0.2695 0.7476 ( 7486 PWs) bands (ev): -5.7577 -5.7577 -5.5888 -5.5881 -5.4014 -5.4009 -5.3128 -5.3121 -0.2013 -0.1580 0.1114 0.1402 0.8285 0.8294 0.9941 1.0052 2.4428 2.5332 2.5631 2.6622 2.7990 2.8596 2.9409 2.9801 3.0425 3.0632 3.1209 3.1356 3.1714 3.2059 3.3403 3.3418 3.8909 3.9047 3.9877 4.0510 4.1390 4.1704 4.2105 4.2252 4.5458 4.5671 4.7861 4.8013 5.0260 5.0595 5.0985 5.1444 5.2855 5.3016 5.4683 5.4935 8.1764 8.3006 8.4076 8.4199 8.7794 8.7894 8.9532 8.9907 9.5449 9.5574 k = 0.1944 0.2566 0.7635 ( 7486 PWs) bands (ev): -5.7393 -5.7393 -5.5843 -5.5836 -5.4110 -5.4105 -5.3253 -5.3246 -0.1919 -0.1484 0.0793 0.1093 0.8158 0.8172 0.9598 0.9712 2.4737 2.5743 2.5961 2.6870 2.7927 2.8545 2.9286 2.9735 3.0488 3.0638 3.1269 3.1379 3.1734 3.2067 3.3454 3.3469 3.8933 3.9042 3.9849 4.0509 4.1452 4.1802 4.2140 4.2288 4.5526 4.5735 4.7861 4.8008 5.0539 5.0856 5.1167 5.1690 5.3000 5.3148 5.4804 5.5032 8.1769 8.2982 8.3817 8.4023 8.7643 8.7752 8.9038 8.9358 9.5580 9.5684 k = 0.2037 0.2437 0.7794 ( 7488 PWs) bands (ev): -5.7207 -5.7206 -5.5830 -5.5823 -5.4175 -5.4171 -5.3379 -5.3373 -0.1806 -0.1369 0.0486 0.0797 0.8067 0.8087 0.9286 0.9403 2.5017 2.6133 2.6280 2.7094 2.7864 2.8490 2.9127 2.9616 3.0556 3.0655 3.1323 3.1385 3.1749 3.2076 3.3505 3.3519 3.8958 3.9037 3.9823 4.0509 4.1504 4.1898 4.2173 4.2312 4.5630 4.5824 4.7759 4.7897 5.0851 5.1113 5.1362 5.1924 5.3174 5.3301 5.4866 5.5066 8.1794 8.2961 8.3575 8.3878 8.7498 8.7608 8.8597 8.8863 9.5791 9.5882 k = 0.2130 0.2307 0.7953 ( 7490 PWs) bands (ev): -5.7019 -5.7019 -5.5856 -5.5850 -5.4202 -5.4200 -5.3506 -5.3500 -0.1674 -0.1235 0.0195 0.0514 0.8012 0.8036 0.9008 0.9128 2.5261 2.6496 2.6584 2.7300 2.7806 2.8430 2.8938 2.9450 3.0625 3.0686 3.1364 3.1378 3.1760 3.2086 3.3553 3.3563 3.8980 3.9034 3.9800 4.0508 4.1548 4.1989 4.2203 4.2324 4.5771 4.5941 4.7588 4.7708 5.1158 5.1343 5.1559 5.2144 5.3372 5.3470 5.4866 5.5033 8.1835 8.2939 8.3355 8.3766 8.7376 8.7477 8.8214 8.8427 9.6066 9.6151 k = 0.2222 0.2178 0.8112 ( 7496 PWs) bands (ev): -5.6833 -5.6832 -5.5921 -5.5917 -5.4191 -5.4190 -5.3632 -5.3626 -0.1526 -0.1083 -0.0078 0.0245 0.7993 0.8019 0.8765 0.8889 2.5464 2.6818 2.6865 2.7493 2.7766 2.8365 2.8726 2.9254 3.0691 3.0725 3.1359 3.1389 3.1770 3.2097 3.3593 3.3600 3.8999 3.9031 3.9781 4.0507 4.1581 4.2071 4.2227 4.2324 4.5948 4.6086 4.7375 4.7470 5.1420 5.1527 5.1737 5.2340 5.3590 5.3659 5.4807 5.4938 8.1886 8.2918 8.3165 8.3687 8.7289 8.7373 8.7895 8.8056 9.6391 9.6476 k = 0.2315 0.2049 0.8271 ( 7498 PWs) bands (ev): -5.6650 -5.6649 -5.6023 -5.6020 -5.4145 -5.4144 -5.3754 -5.3749 -0.1367 -0.0915 -0.0326 -0.0007 0.8008 0.8030 0.8563 0.8695 2.5618 2.7075 2.7100 2.7686 2.7768 2.8293 2.8498 2.9051 3.0746 3.0762 3.1336 3.1400 3.1779 3.2106 3.3624 3.3627 3.9014 3.9029 3.9767 4.0507 4.1604 4.2142 4.2245 4.2313 4.6159 4.6259 4.7143 4.7205 5.1615 5.1661 5.1876 5.2499 5.3823 5.3870 5.4693 5.4785 8.1939 8.2899 8.3015 8.3637 8.7252 8.7308 8.7644 8.7753 9.6750 9.6834 k = 0.2407 0.1919 0.8430 ( 7500 PWs) bands (ev): -5.6474 -5.6472 -5.6154 -5.6152 -5.4072 -5.4070 -5.3871 -5.3867 -0.1217 -0.0740 -0.0531 -0.0232 0.8047 0.8058 0.8411 0.8556 2.5716 2.7239 2.7249 2.7853 2.7885 2.8203 2.8265 2.8881 3.0784 3.0788 3.1316 3.1403 3.1786 3.2113 3.3644 3.3644 3.9024 3.9028 3.9757 4.0507 4.1617 4.2203 4.2256 4.2289 4.6397 4.6455 4.6906 4.6929 5.1733 5.1744 5.1960 5.2603 5.4054 5.4101 5.4537 5.4589 8.1980 8.2886 8.2916 8.3610 8.7273 8.7294 8.7463 8.7521 9.7124 9.7195 k = 0.2500 0.1790 0.8589 ( 7500 PWs) bands (ev): -5.6314 -5.6310 -5.6299 -5.6299 -5.3984 -5.3984 -5.3973 -5.3967 -0.1141 -0.0625 -0.0625 -0.0364 0.8074 0.8075 0.8346 0.8503 2.5749 2.7294 2.7294 2.7998 2.8064 2.8074 2.8074 2.8810 3.0798 3.0798 3.1309 3.1404 3.1788 3.2115 3.3650 3.3650 3.9027 3.9027 3.9754 4.0507 4.1622 4.2244 4.2260 4.2260 4.6651 4.6651 4.6663 4.6695 5.1772 5.1772 5.1988 5.2639 5.4207 5.4291 5.4410 5.4410 8.1996 8.2881 8.2881 8.3601 8.7319 8.7351 8.7372 8.7372 9.7424 9.7424 k = 0.2500 0.1790 0.8589 ( 7500 PWs) bands (ev): -5.6314 -5.6310 -5.6299 -5.6299 -5.3984 -5.3984 -5.3973 -5.3967 -0.1141 -0.0625 -0.0625 -0.0364 0.8074 0.8075 0.8346 0.8503 2.5749 2.7294 2.7294 2.7998 2.8064 2.8074 2.8074 2.8810 3.0798 3.0798 3.1309 3.1404 3.1788 3.2115 3.3650 3.3650 3.9027 3.9027 3.9754 4.0507 4.1622 4.2244 4.2260 4.2260 4.6651 4.6651 4.6663 4.6695 5.1772 5.1772 5.1988 5.2639 5.4207 5.4291 5.4410 5.4410 8.1996 8.2881 8.2881 8.3601 8.7319 8.7351 8.7372 8.7372 9.7424 9.7424 k = 0.2647 0.1895 0.8459 ( 7496 PWs) bands (ev): -5.6396 -5.6394 -5.6222 -5.6219 -5.4033 -5.4031 -5.3919 -5.3915 -0.1174 -0.0685 -0.0595 -0.0320 0.8055 0.8123 0.8384 0.8541 2.5684 2.6984 2.7343 2.7671 2.8059 2.8183 2.8451 2.8880 3.0791 3.0801 3.1304 3.1408 3.1796 3.2114 3.3624 3.3664 3.8956 3.9109 3.9755 4.0507 4.1621 4.2184 4.2252 4.2312 4.6512 4.6514 4.6807 4.6842 5.1744 5.1797 5.1987 5.2639 5.4167 5.4208 5.4479 5.4491 8.1905 8.2772 8.2833 8.3509 8.7375 8.7378 8.7423 8.7517 9.7298 9.7354 k = 0.2794 0.2001 0.8330 ( 7490 PWs) bands (ev): -5.6479 -5.6477 -5.6152 -5.6149 -5.4080 -5.4079 -5.3861 -5.3856 -0.1256 -0.0801 -0.0528 -0.0239 0.8079 0.8204 0.8483 0.8641 2.5506 2.6584 2.7132 2.7299 2.8177 2.8342 2.8826 2.9084 3.0780 3.0801 3.1294 3.1422 3.1818 3.2111 3.3587 3.3664 3.8896 3.9200 3.9755 4.0506 4.1619 4.2101 4.2248 4.2351 4.6355 4.6362 4.6956 4.7045 5.1715 5.1819 5.1984 5.2633 5.4115 5.4131 5.4587 5.4598 8.1605 8.2549 8.2590 8.3302 8.7543 8.7561 8.7641 8.7767 9.7142 9.7238 k = 0.2941 0.2106 0.8200 ( 7493 PWs) bands (ev): -5.6554 -5.6553 -5.6095 -5.6092 -5.4120 -5.4119 -5.3806 -5.3801 -0.1358 -0.0931 -0.0448 -0.0157 0.8150 0.8323 0.8629 0.8791 2.5240 2.6146 2.6830 2.6916 2.8303 2.8513 2.9146 2.9354 3.0766 3.0798 3.1282 3.1448 3.1852 3.2104 3.3539 3.3650 3.8850 3.9295 3.9756 4.0504 4.1615 4.2013 4.2234 4.2376 4.6197 4.6214 4.7113 4.7245 5.1687 5.1830 5.1987 5.2620 5.4059 5.4136 5.4688 5.4697 8.1109 8.2018 8.2390 8.3079 8.7819 8.7829 8.8022 8.8097 9.7008 9.7132 k = 0.3088 0.2211 0.8071 ( 7496 PWs) bands (ev): -5.6620 -5.6620 -5.6049 -5.6046 -5.4153 -5.4152 -5.3758 -5.3752 -0.1460 -0.1056 -0.0365 -0.0083 0.8266 0.8481 0.8810 0.8982 2.4910 2.5686 2.6495 2.6528 2.8434 2.8688 2.9404 2.9617 3.0747 3.0792 3.1274 3.1486 3.1897 3.2094 3.3482 3.3623 3.8817 3.9392 3.9758 4.0503 4.1608 4.1921 4.2210 4.2385 4.6051 4.6078 4.7258 4.7424 5.1661 5.1824 5.2005 5.2601 5.4046 5.4181 5.4780 5.4790 8.0489 8.1335 8.2177 8.2847 8.8133 8.8201 8.8485 8.8505 9.6896 9.7042 k = 0.3235 0.2316 0.7941 ( 7505 PWs) bands (ev): -5.6678 -5.6678 -5.6014 -5.6010 -5.4179 -5.4178 -5.3719 -5.3713 -0.1550 -0.1167 -0.0286 -0.0020 0.8420 0.8671 0.9022 0.9207 2.4539 2.5216 2.6139 2.6146 2.8572 2.8862 2.9599 2.9838 3.0725 3.0783 3.1273 3.1538 3.1952 3.2079 3.3419 3.3582 3.8796 3.9487 3.9759 4.0502 4.1599 4.1830 4.2177 4.2377 4.5924 4.5958 4.7376 4.7565 5.1636 5.1798 5.2040 5.2579 5.4070 5.4248 5.4866 5.4887 7.9821 8.0593 8.1948 8.2600 8.8490 8.8631 8.8916 8.9047 9.6802 9.6966 k = 0.3382 0.2422 0.7812 ( 7508 PWs) bands (ev): -5.6726 -5.6726 -5.5987 -5.5982 -5.4197 -5.4197 -5.3691 -5.3684 -0.1618 -0.1256 -0.0212 0.0032 0.8605 0.8884 0.9258 0.9458 2.4145 2.4745 2.5755 2.5792 2.8715 2.9034 2.9738 3.0004 3.0699 3.0770 3.1281 3.1604 3.2015 3.2058 3.3350 3.3529 3.8788 3.9574 3.9764 4.0503 4.1587 4.1738 4.2137 4.2353 4.5818 4.5859 4.7453 4.7656 5.1615 5.1759 5.2088 5.2558 5.4118 5.4309 5.4953 5.5006 7.9161 7.9849 8.1708 8.2340 8.8879 8.9098 8.9377 8.9623 9.6722 9.6898 k = 0.3529 0.2527 0.7682 ( 7510 PWs) bands (ev): -5.6764 -5.6763 -5.5968 -5.5964 -5.4209 -5.4209 -5.3676 -5.3669 -0.1658 -0.1317 -0.0144 0.0075 0.8813 0.9112 0.9514 0.9728 2.3744 2.4281 2.5383 2.5442 2.8860 2.9200 2.9826 3.0116 3.0668 3.0751 3.1297 3.1680 3.2031 3.2083 3.3277 3.3465 3.8791 3.9641 3.9781 4.0504 4.1570 4.1646 4.2094 4.2313 4.5737 4.5782 4.7482 4.7692 5.1597 5.1714 5.2146 5.2541 5.4168 5.4336 5.5049 5.5152 7.8550 7.9149 8.1461 8.2074 8.9293 8.9588 8.9859 9.0219 9.6654 9.6836 k = 0.3676 0.2632 0.7553 ( 7506 PWs) bands (ev): -5.6791 -5.6790 -5.5958 -5.5953 -5.4214 -5.4213 -5.3674 -5.3667 -0.1665 -0.1345 -0.0082 0.0109 0.9036 0.9347 0.9783 1.0008 2.3350 2.3833 2.5028 2.5103 2.9001 2.9359 2.9875 3.0183 3.0632 3.0726 3.1318 3.1761 3.1996 3.2154 3.3202 3.3390 3.8803 3.9667 3.9829 4.0507 4.1548 4.1554 4.2048 4.2259 4.5680 4.5727 4.7459 4.7670 5.1582 5.1668 5.2208 5.2532 5.4197 5.4320 5.5157 5.5315 7.8027 7.8528 8.1212 8.1806 8.9724 9.0090 9.0358 9.0823 9.6595 9.6775 k = 0.3824 0.2738 0.7423 ( 7511 PWs) bands (ev): -5.6807 -5.6806 -5.5957 -5.5952 -5.4212 -5.4211 -5.3685 -5.3678 -0.1634 -0.1335 -0.0026 0.0135 0.9267 0.9581 1.0055 1.0289 2.2975 2.3410 2.4699 2.4784 2.9131 2.9507 2.9894 3.0219 3.0589 3.0695 3.1340 3.1841 3.1952 3.2221 3.3125 3.3308 3.8824 3.9659 3.9898 4.0510 4.1463 4.1519 4.2003 4.2193 4.5645 4.5692 4.7389 4.7595 5.1572 5.1628 5.2274 5.2532 5.4191 5.4263 5.5265 5.5463 7.7620 7.8014 8.0965 8.1541 9.0168 9.0593 9.0869 9.1429 9.6542 9.6711 k = 0.3971 0.2843 0.7294 ( 7515 PWs) bands (ev): -5.6812 -5.6810 -5.5966 -5.5960 -5.4204 -5.4202 -5.3708 -5.3701 -0.1563 -0.1287 0.0025 0.0155 0.9498 0.9806 1.0324 1.0560 2.2632 2.3022 2.4401 2.4490 2.9247 2.9636 2.9895 3.0237 3.0540 3.0659 3.1357 3.1886 3.1930 3.2280 3.3049 3.3218 3.8851 3.9633 3.9972 4.0513 4.1376 4.1484 4.1960 4.2118 4.5629 4.5675 4.7275 4.7473 5.1569 5.1596 5.2339 5.2540 5.4148 5.4173 5.5349 5.5565 7.7354 7.7634 8.0724 8.1283 9.0621 9.1087 9.1388 9.2027 9.6489 9.6640 k = 0.4118 0.2948 0.7164 ( 7506 PWs) bands (ev): -5.6804 -5.6803 -5.5986 -5.5980 -5.4189 -5.4187 -5.3742 -5.3734 -0.1450 -0.1197 0.0072 0.0170 0.9722 1.0015 1.0579 1.0811 2.2331 2.2677 2.4141 2.4230 2.9340 2.9727 2.9901 3.0247 3.0486 3.0619 3.1369 3.1825 3.1995 3.2328 3.2974 3.3125 3.8885 3.9594 4.0045 4.0515 4.1294 4.1442 4.1918 4.2038 4.5630 4.5673 4.7125 4.7309 5.1574 5.1577 5.2402 5.2555 5.4059 5.4076 5.5381 5.5596 7.7248 7.7409 8.0491 8.1033 9.1077 9.1563 9.1911 9.2607 9.6430 9.6555 k = 0.4265 0.3053 0.7035 ( 7500 PWs) bands (ev): -5.6785 -5.6783 -5.6020 -5.6015 -5.4167 -5.4165 -5.3783 -5.3776 -0.1296 -0.1068 0.0114 0.0181 0.9934 1.0204 1.0811 1.1032 2.2085 2.2384 2.3925 2.4008 2.9407 2.9741 2.9948 3.0255 3.0429 3.0577 3.1373 3.1748 3.2057 3.2362 3.2904 3.3029 3.8924 3.9544 4.0114 4.0515 4.1222 4.1393 4.1878 4.1956 4.5645 4.5683 4.6946 4.7112 5.1571 5.1588 5.2457 5.2568 5.3931 5.3984 5.5338 5.5537 7.7309 7.7349 8.0270 8.0795 9.1530 9.2009 9.2432 9.3157 9.6357 9.6449 k = 0.4412 0.3159 0.6905 ( 7497 PWs) bands (ev): -5.6754 -5.6751 -5.6072 -5.6066 -5.4139 -5.4136 -5.3828 -5.3821 -0.1102 -0.0900 0.0154 0.0189 1.0129 1.0365 1.1013 1.1214 2.1901 2.2151 2.3758 2.3832 2.9442 2.9699 3.0013 3.0259 3.0377 3.0535 3.1370 3.1660 3.2111 3.2378 3.2840 3.2936 3.8967 3.9483 4.0178 4.0510 4.1162 4.1337 4.1838 4.1876 4.5669 4.5702 4.6746 4.6887 5.1579 5.1613 5.2496 5.2570 5.3807 5.3889 5.5205 5.5382 7.7459 7.7535 8.0063 8.0570 9.1971 9.2412 9.2943 9.3660 9.6260 9.6314 k = 0.4559 0.3264 0.6776 ( 7503 PWs) bands (ev): -5.6710 -5.6707 -5.6143 -5.6137 -5.4105 -5.4102 -5.3872 -5.3866 -0.0870 -0.0697 0.0191 0.0198 1.0303 1.0496 1.1180 1.1349 2.1786 2.1981 2.3645 2.3704 2.9447 2.9631 3.0059 3.0233 3.0355 3.0496 3.1358 3.1563 3.2153 3.2373 3.2784 3.2850 3.9014 3.9413 4.0238 4.0497 4.1116 4.1274 4.1797 4.1804 4.5700 4.5728 4.6532 4.6642 5.1599 5.1645 5.2503 5.2541 5.3708 5.3810 5.4979 5.5134 7.7731 7.7915 7.9872 8.0360 9.2386 9.2754 9.3431 9.4091 9.6129 9.6150 k = 0.4706 0.3369 0.6646 ( 7502 PWs) bands (ev): -5.6654 -5.6651 -5.6237 -5.6232 -5.4064 -5.4061 -5.3913 -5.3907 -0.0607 -0.0470 0.0212 0.0229 1.0455 1.0595 1.1310 1.1434 2.1743 2.1877 2.3585 2.3626 2.9425 2.9546 3.0073 3.0172 3.0362 3.0459 3.1339 3.1464 3.2184 3.2343 3.2740 3.2779 3.9065 3.9336 4.0291 4.0474 4.1084 4.1205 4.1744 4.1755 4.5736 4.5759 4.6310 4.6383 5.1626 5.1678 5.2464 5.2468 5.3658 5.3768 5.4670 5.4804 7.8148 7.8423 7.9705 8.0167 9.2750 9.3010 9.3878 9.4406 9.5967 9.5970 k = 0.4853 0.3475 0.6517 ( 7498 PWs) bands (ev): -5.6586 -5.6582 -5.6358 -5.6353 -5.4018 -5.4014 -5.3944 -5.3939 -0.0329 -0.0242 0.0253 0.0279 1.0584 1.0659 1.1403 1.1471 2.1768 2.1836 2.3579 2.3600 2.9382 2.9445 3.0055 3.0095 3.0367 3.0415 3.1314 3.1370 3.2203 3.2287 3.2710 3.2728 3.9119 3.9257 4.0339 4.0437 4.1067 4.1133 4.1698 4.1712 4.5770 4.5788 4.6090 4.6122 5.1649 5.1691 5.2358 5.2375 5.3663 5.3764 5.4308 5.4417 7.8680 7.8997 7.9597 7.9999 9.3017 9.3140 9.4235 9.4525 9.5796 9.5810 k = 0.5000 0.3580 0.6388 ( 7492 PWs) bands (ev): -5.6508 -5.6508 -5.6500 -5.6500 -5.3969 -5.3969 -5.3958 -5.3958 -0.0079 -0.0079 0.0380 0.0380 1.0692 1.0692 1.1467 1.1467 2.1854 2.1854 2.3623 2.3623 2.9325 2.9325 3.0011 3.0011 3.0350 3.0350 3.1288 3.1288 3.2211 3.2211 3.2696 3.2696 3.9178 3.9178 4.0381 4.0381 4.1062 4.1062 4.1668 4.1668 4.5758 4.5758 4.5919 4.5919 5.1637 5.1637 5.2263 5.2263 5.3665 5.3665 5.4046 5.4046 7.9267 7.9267 7.9889 7.9889 9.3098 9.3098 9.4380 9.4380 9.5674 9.5674 k = 0.5000 0.3580 0.6388 ( 7492 PWs) bands (ev): -5.6508 -5.6508 -5.6500 -5.6500 -5.3969 -5.3969 -5.3958 -5.3958 -0.0079 -0.0079 0.0380 0.0380 1.0692 1.0692 1.1467 1.1467 2.1854 2.1854 2.3623 2.3623 2.9325 2.9325 3.0011 3.0011 3.0350 3.0350 3.1288 3.1288 3.2211 3.2211 3.2696 3.2696 3.9178 3.9178 4.0381 4.0381 4.1062 4.1062 4.1668 4.1668 4.5758 4.5758 4.5919 4.5919 5.1637 5.1637 5.2263 5.2263 5.3665 5.3665 5.4046 5.4046 7.9267 7.9267 7.9889 7.9889 9.3098 9.3098 9.4380 9.4380 9.5674 9.5674 k = 0.5000 0.3580 0.6159 ( 7496 PWs) bands (ev): -5.6582 -5.6582 -5.6574 -5.6574 -5.3925 -5.3925 -5.3913 -5.3913 0.0197 0.0197 0.0686 0.0686 1.0802 1.0802 1.1502 1.1502 2.1997 2.1997 2.3728 2.3728 2.9150 2.9150 2.9879 2.9879 3.0250 3.0250 3.1198 3.1198 3.2143 3.2143 3.2665 3.2665 3.9163 3.9163 4.0357 4.0357 4.1002 4.1002 4.1613 4.1613 4.5549 4.5549 4.5761 4.5761 5.1499 5.1499 5.2107 5.2107 5.3365 5.3365 5.3735 5.3735 7.9755 7.9755 8.0404 8.0404 9.2734 9.2734 9.3885 9.3885 9.5554 9.5554 k = 0.5000 0.3580 0.5931 ( 7496 PWs) bands (ev): -5.6672 -5.6672 -5.6664 -5.6664 -5.3864 -5.3864 -5.3853 -5.3853 0.0472 0.0472 0.0993 0.0993 1.0932 1.0932 1.1553 1.1553 2.2150 2.2150 2.3842 2.3842 2.8967 2.8967 2.9734 2.9734 3.0146 3.0146 3.1101 3.1101 3.2080 3.2080 3.2629 3.2629 3.9151 3.9151 4.0332 4.0332 4.0939 4.0939 4.1566 4.1566 4.5334 4.5334 4.5601 4.5601 5.1353 5.1353 5.1944 5.1944 5.3082 5.3082 5.3442 5.3442 8.0254 8.0254 8.0926 8.0926 9.2102 9.2102 9.3128 9.3128 9.5425 9.5425 k = 0.5000 0.3580 0.5703 ( 7490 PWs) bands (ev): -5.6777 -5.6777 -5.6770 -5.6770 -5.3788 -5.3788 -5.3776 -5.3776 0.0737 0.0737 0.1292 0.1292 1.1086 1.1086 1.1626 1.1626 2.2312 2.2312 2.3964 2.3964 2.8779 2.8779 2.9579 2.9579 3.0039 3.0039 3.1000 3.1000 3.2022 3.2022 3.2589 3.2589 3.9143 3.9143 4.0306 4.0306 4.0874 4.0874 4.1527 4.1527 4.5119 4.5119 4.5443 4.5443 5.1202 5.1202 5.1774 5.1774 5.2816 5.2816 5.3168 5.3168 8.0753 8.0753 8.1439 8.1439 9.1348 9.1348 9.2269 9.2269 9.5181 9.5181 k = 0.5000 0.3580 0.5475 ( 7490 PWs) bands (ev): -5.6896 -5.6896 -5.6888 -5.6888 -5.3695 -5.3695 -5.3683 -5.3683 0.0984 0.0984 0.1574 0.1574 1.1264 1.1264 1.1731 1.1731 2.2482 2.2482 2.4093 2.4093 2.8588 2.8588 2.9417 2.9417 2.9931 2.9931 3.0896 3.0896 3.1969 3.1969 3.2545 3.2545 3.9140 3.9140 4.0280 4.0280 4.0810 4.0810 4.1495 4.1495 4.4908 4.4908 4.5290 4.5290 5.1049 5.1049 5.1602 5.1602 5.2569 5.2569 5.2917 5.2917 8.1235 8.1235 8.1925 8.1925 9.0550 9.0550 9.1371 9.1371 9.4790 9.4790 k = 0.5000 0.3580 0.5247 ( 7490 PWs) bands (ev): -5.7026 -5.7026 -5.7019 -5.7019 -5.3588 -5.3588 -5.3576 -5.3576 0.1204 0.1204 0.1829 0.1829 1.1465 1.1465 1.1877 1.1877 2.2657 2.2657 2.4229 2.4229 2.8398 2.8398 2.9253 2.9253 2.9823 2.9823 3.0791 3.0791 3.1922 3.1922 3.2498 3.2498 3.9141 3.9141 4.0253 4.0253 4.0748 4.0748 4.1468 4.1468 4.4706 4.4706 4.5144 4.5144 5.0895 5.0895 5.1430 5.1430 5.2338 5.2338 5.2687 5.2687 8.1681 8.1681 8.2358 8.2358 8.9754 8.9754 9.0468 9.0468 9.4273 9.4273 k = 0.5000 0.3580 0.5019 ( 7488 PWs) bands (ev): -5.7166 -5.7166 -5.7159 -5.7159 -5.3467 -5.3467 -5.3456 -5.3456 0.1392 0.1392 0.2048 0.2048 1.1688 1.1688 1.2074 1.2074 2.2835 2.2835 2.4370 2.4370 2.8211 2.8211 2.9091 2.9091 2.9716 2.9716 3.0688 3.0688 3.1881 3.1881 3.2448 3.2448 3.9147 3.9147 4.0225 4.0225 4.0689 4.0689 4.1442 4.1442 4.4519 4.4519 4.5010 4.5010 5.0744 5.0744 5.1260 5.1260 5.2124 5.2124 5.2478 5.2478 8.2067 8.2067 8.2708 8.2708 8.8994 8.8994 8.9587 8.9587 9.3666 9.3666 k = 0.5000 0.3580 0.4791 ( 7476 PWs) bands (ev): -5.7314 -5.7314 -5.7307 -5.7307 -5.3335 -5.3335 -5.3324 -5.3324 0.1540 0.1540 0.2223 0.2223 1.1932 1.1932 1.2331 1.2331 2.3016 2.3016 2.4516 2.4516 2.8030 2.8030 2.8937 2.8937 2.9612 2.9612 3.0588 3.0588 3.1844 3.1844 3.2396 3.2396 3.9159 3.9159 4.0196 4.0196 4.0634 4.0634 4.1415 4.1415 4.4353 4.4353 4.4891 4.4891 5.0596 5.0596 5.1094 5.1094 5.1925 5.1925 5.2288 5.2288 8.2360 8.2360 8.2939 8.2939 8.8293 8.8293 8.8760 8.8760 9.3009 9.3009 k = 0.5000 0.3580 0.4563 ( 7484 PWs) bands (ev): -5.7467 -5.7467 -5.7461 -5.7461 -5.3194 -5.3194 -5.3182 -5.3182 0.1644 0.1644 0.2349 0.2349 1.2201 1.2201 1.2646 1.2646 2.3196 2.3196 2.4664 2.4664 2.7859 2.7859 2.8795 2.8795 2.9512 2.9512 3.0493 3.0493 3.1811 3.1811 3.2342 3.2342 3.9175 3.9175 4.0166 4.0166 4.0582 4.0582 4.1379 4.1379 4.4216 4.4216 4.4790 4.4790 5.0453 5.0453 5.0933 5.0933 5.1741 5.1741 5.2117 5.2117 8.2518 8.2518 8.3017 8.3017 8.7652 8.7652 8.8038 8.8038 9.2342 9.2342 k = 0.5000 0.3580 0.4334 ( 7472 PWs) bands (ev): -5.7623 -5.7623 -5.7617 -5.7617 -5.3045 -5.3045 -5.3033 -5.3033 0.1704 0.1704 0.2421 0.2421 1.2501 1.2501 1.3013 1.3013 2.3374 2.3374 2.4812 2.4812 2.7701 2.7701 2.8670 2.8670 2.9419 2.9419 3.0402 3.0402 3.1783 3.1783 3.2288 3.2288 3.9197 3.9197 4.0135 4.0135 4.0533 4.0533 4.1332 4.1332 4.4113 4.4113 4.4710 4.4710 5.0316 5.0316 5.0778 5.0778 5.1572 5.1572 5.1963 5.1963 8.2494 8.2494 8.2930 8.2930 8.7039 8.7039 8.7476 8.7476 9.1701 9.1701 k = 0.5000 0.3580 0.4106 ( 7474 PWs) bands (ev): -5.7781 -5.7781 -5.7776 -5.7776 -5.2890 -5.2890 -5.2878 -5.2878 0.1718 0.1718 0.2439 0.2439 1.2836 1.2836 1.3423 1.3423 2.3548 2.3548 2.4957 2.4957 2.7559 2.7559 2.8564 2.8564 2.9333 2.9333 3.0318 3.0318 3.1759 3.1759 3.2234 3.2234 3.9223 3.9223 4.0102 4.0102 4.0482 4.0482 4.1267 4.1267 4.4051 4.4051 4.4656 4.4656 5.0182 5.0182 5.0628 5.0628 5.1417 5.1417 5.1825 5.1825 8.2260 8.2260 8.2690 8.2690 8.6456 8.6456 8.7047 8.7047 9.1117 9.1117 k = 0.5000 0.3580 0.3878 ( 7470 PWs) bands (ev): -5.7939 -5.7939 -5.7934 -5.7934 -5.2730 -5.2730 -5.2718 -5.2718 0.1689 0.1689 0.2405 0.2405 1.3207 1.3207 1.3868 1.3868 2.3717 2.3717 2.5094 2.5094 2.7435 2.7435 2.8483 2.8483 2.9255 2.9255 3.0241 3.0241 3.1740 3.1740 3.2182 3.2182 3.9252 3.9252 4.0068 4.0068 4.0429 4.0429 4.1185 4.1185 4.4034 4.4034 4.4630 4.4630 5.0053 5.0053 5.0483 5.0483 5.1279 5.1279 5.1703 5.1703 8.1849 8.1849 8.2314 8.2314 8.5916 8.5916 8.6652 8.6652 9.0618 9.0618 k = 0.5000 0.3580 0.3650 ( 7468 PWs) bands (ev): -5.8096 -5.8096 -5.8091 -5.8091 -5.2568 -5.2568 -5.2556 -5.2556 0.1622 0.1622 0.2323 0.2323 1.3608 1.3608 1.4337 1.4337 2.3879 2.3879 2.5219 2.5219 2.7333 2.7333 2.8428 2.8428 2.9186 2.9186 3.0171 3.0171 3.1725 3.1725 3.2131 3.2131 3.9285 3.9285 4.0033 4.0033 4.0370 4.0370 4.1084 4.1084 4.4062 4.4062 4.4636 4.4636 4.9926 4.9926 5.0342 5.0342 5.1159 5.1159 5.1596 5.1596 8.1328 8.1328 8.1825 8.1825 8.5391 8.5391 8.6216 8.6216 9.0210 9.0210 k = 0.5000 0.3580 0.3422 ( 7468 PWs) bands (ev): -5.8249 -5.8249 -5.8245 -5.8245 -5.2404 -5.2404 -5.2393 -5.2393 0.1520 0.1520 0.2199 0.2199 1.4034 1.4034 1.4824 1.4824 2.4034 2.4034 2.5329 2.5329 2.7254 2.7254 2.8401 2.8401 2.9127 2.9127 3.0108 3.0108 3.1714 3.1714 3.2083 3.2083 3.9320 3.9320 3.9994 3.9994 4.0302 4.0302 4.0969 4.0969 4.4135 4.4135 4.4676 4.4676 4.9801 4.9801 5.0201 5.0201 5.1059 5.1059 5.1506 5.1506 8.0756 8.0756 8.1261 8.1261 8.4848 8.4848 8.5705 8.5705 8.9883 8.9883 k = 0.5000 0.3580 0.3194 ( 7488 PWs) bands (ev): -5.8398 -5.8398 -5.8394 -5.8394 -5.2242 -5.2242 -5.2230 -5.2230 0.1390 0.1390 0.2039 0.2039 1.4479 1.4479 1.5317 1.5317 2.4182 2.4182 2.5419 2.5419 2.7199 2.7199 2.8402 2.8402 2.9076 2.9076 3.0051 3.0051 3.1708 3.1708 3.2039 3.2039 3.9355 3.9355 3.9950 3.9950 4.0225 4.0225 4.0845 4.0845 4.4249 4.4249 4.4749 4.4749 4.9677 4.9677 5.0061 5.0061 5.0980 5.0980 5.1431 5.1431 8.0168 8.0168 8.0664 8.0664 8.4272 8.4272 8.5121 8.5121 8.9606 8.9606 k = 0.5000 0.3580 0.2966 ( 7484 PWs) bands (ev): -5.8541 -5.8541 -5.8537 -5.8537 -5.2081 -5.2081 -5.2070 -5.2070 0.1238 0.1238 0.1853 0.1853 1.4934 1.4934 1.5808 1.5808 2.4322 2.4322 2.5490 2.5490 2.7169 2.7169 2.8430 2.8430 2.9034 2.9034 3.0001 3.0001 3.1707 3.1707 3.2002 3.2002 3.9389 3.9389 3.9901 3.9901 4.0136 4.0136 4.0721 4.0721 4.4400 4.4400 4.4857 4.4857 4.9554 4.9554 4.9918 4.9918 5.0923 5.0923 5.1373 5.1373 7.9590 7.9590 8.0064 8.0064 8.3667 8.3667 8.4483 8.4483 8.9346 8.9346 k = 0.5000 0.3580 0.2738 ( 7486 PWs) bands (ev): -5.8678 -5.8678 -5.8674 -5.8674 -5.1925 -5.1925 -5.1914 -5.1914 0.1071 0.1071 0.1645 0.1645 1.5391 1.5391 1.6289 1.6289 2.4455 2.4455 2.5542 2.5542 2.7163 2.7163 2.8480 2.8480 2.8999 2.8999 2.9955 2.9955 3.1710 3.1710 3.1972 3.1972 3.9417 3.9417 3.9845 3.9845 4.0036 4.0036 4.0606 4.0606 4.4583 4.4583 4.4998 4.4998 4.9429 4.9429 4.9773 4.9773 5.0888 5.0888 5.1332 5.1332 7.9037 7.9037 7.9483 7.9483 8.3044 8.3044 8.3817 8.3817 8.9077 8.9077 k = 0.5000 0.3580 0.2509 ( 7476 PWs) bands (ev): -5.8806 -5.8806 -5.8803 -5.8803 -5.1774 -5.1774 -5.1764 -5.1764 0.0893 0.0893 0.1425 0.1425 1.5844 1.5844 1.6749 1.6749 2.4582 2.4582 2.5577 2.5577 2.7179 2.7179 2.8549 2.8549 2.8972 2.8972 2.9914 2.9914 3.1718 3.1718 3.1951 3.1951 3.9431 3.9431 3.9784 3.9784 3.9928 3.9928 4.0506 4.0506 4.4793 4.4793 4.5169 4.5169 4.9303 4.9303 4.9626 4.9626 5.0875 5.0875 5.1306 5.1306 7.8519 7.8519 7.8935 7.8935 8.2417 8.2417 8.3141 8.3141 8.8778 8.8778 k = 0.5000 0.3580 0.2281 ( 7470 PWs) bands (ev): -5.8927 -5.8927 -5.8924 -5.8924 -5.1630 -5.1630 -5.1620 -5.1620 0.0713 0.0713 0.1199 0.1199 1.6284 1.6284 1.7181 1.7181 2.4704 2.4704 2.5601 2.5601 2.7214 2.7214 2.8627 2.8627 2.8951 2.8951 2.9874 2.9874 3.1730 3.1730 3.1940 3.1940 3.9417 3.9417 3.9711 3.9711 3.9836 3.9836 4.0426 4.0426 4.5025 4.5025 4.5365 4.5365 4.9176 4.9176 4.9475 4.9475 5.0881 5.0881 5.1296 5.1296 7.8046 7.8046 7.8430 7.8430 8.1798 8.1798 8.2472 8.2472 8.8436 8.8436 k = 0.5000 0.3580 0.2053 ( 7474 PWs) bands (ev): -5.9038 -5.9038 -5.9035 -5.9035 -5.1494 -5.1494 -5.1485 -5.1485 0.0534 0.0534 0.0974 0.0974 1.6707 1.6707 1.7578 1.7578 2.4820 2.4820 2.5616 2.5616 2.7267 2.7267 2.8703 2.8703 2.8940 2.8940 2.9834 2.9834 3.1747 3.1747 3.1939 3.1939 3.9363 3.9363 3.9605 3.9605 3.9797 3.9797 4.0365 4.0365 4.5275 4.5275 4.5582 4.5582 4.9045 4.9045 4.9321 4.9321 5.0906 5.0906 5.1300 5.1300 7.7623 7.7623 7.7977 7.7977 8.1196 8.1196 8.1819 8.1819 8.8046 8.8046 k = 0.5000 0.3580 0.1825 ( 7478 PWs) bands (ev): -5.9139 -5.9139 -5.9137 -5.9137 -5.1368 -5.1368 -5.1360 -5.1360 0.0362 0.0362 0.0754 0.0754 1.7105 1.7105 1.7934 1.7934 2.4931 2.4931 2.5626 2.5626 2.7336 2.7336 2.8757 2.8757 2.8951 2.8951 2.9793 2.9793 3.1770 3.1770 3.1948 3.1948 3.9275 3.9275 3.9476 3.9476 3.9804 3.9804 4.0318 4.0318 4.5536 4.5536 4.5814 4.5814 4.8912 4.8912 4.9164 4.9164 5.0947 5.0947 5.1317 5.1317 7.7254 7.7254 7.7581 7.7581 8.0618 8.0618 8.1192 8.1192 8.7611 8.7612 k = 0.5000 0.3580 0.1597 ( 7494 PWs) bands (ev): -5.9230 -5.9230 -5.9228 -5.9228 -5.1254 -5.1254 -5.1246 -5.1246 0.0201 0.0201 0.0545 0.0545 1.7475 1.7475 1.8243 1.8243 2.5037 2.5037 2.5633 2.5633 2.7421 2.7421 2.8771 2.8771 2.8996 2.8996 2.9749 2.9749 3.1797 3.1797 3.1964 3.1964 3.9170 3.9170 3.9342 3.9342 3.9831 3.9831 4.0281 4.0281 4.5805 4.5805 4.6056 4.6056 4.8774 4.8774 4.9003 4.9003 5.1001 5.1001 5.1343 5.1343 7.6944 7.6944 7.7247 7.7247 8.0072 8.0072 8.0596 8.0596 8.7146 8.7146 k = 0.5000 0.3580 0.1369 ( 7490 PWs) bands (ev): -5.9309 -5.9309 -5.9308 -5.9308 -5.1152 -5.1152 -5.1145 -5.1145 0.0057 0.0057 0.0352 0.0352 1.7812 1.7812 1.8504 1.8504 2.5136 2.5136 2.5638 2.5638 2.7519 2.7519 2.8751 2.8751 2.9063 2.9063 2.9702 2.9702 3.1830 3.1830 3.1984 3.1984 3.9062 3.9062 3.9214 3.9214 3.9868 3.9868 4.0252 4.0252 4.6075 4.6075 4.6303 4.6303 4.8632 4.8632 4.8840 4.8840 5.1067 5.1067 5.1375 5.1375 7.6696 7.6696 7.6975 7.6975 7.9562 7.9562 8.0037 8.0037 8.6669 8.6669 k = 0.5000 0.3580 0.1141 ( 7484 PWs) bands (ev): -5.9377 -5.9377 -5.9376 -5.9376 -5.1063 -5.1063 -5.1058 -5.1058 -0.0067 -0.0067 0.0178 0.0178 1.8112 1.8112 1.8713 1.8713 2.5228 2.5228 2.5640 2.5640 2.7630 2.7630 2.8711 2.8711 2.9133 2.9133 2.9653 2.9653 3.1866 3.1866 3.2006 3.2006 3.8960 3.8960 3.9093 3.9093 3.9909 3.9909 4.0226 4.0226 4.6344 4.6344 4.6550 4.6550 4.8484 4.8484 4.8672 4.8672 5.1139 5.1139 5.1409 5.1409 7.6510 7.6510 7.6767 7.6767 7.9097 7.9097 7.9522 7.9522 8.6209 8.6209 k = 0.5000 0.3580 0.0913 ( 7492 PWs) bands (ev): -5.9433 -5.9433 -5.9432 -5.9432 -5.0989 -5.0989 -5.0985 -5.0985 -0.0169 -0.0169 0.0027 0.0027 1.8374 1.8374 1.8870 1.8870 2.5312 2.5312 2.5638 2.5638 2.7751 2.7751 2.8654 2.8654 2.9199 2.9199 2.9602 2.9602 3.1905 3.1905 3.2025 3.2025 3.8871 3.8871 3.8985 3.8985 3.9949 3.9949 4.0202 4.0202 4.6605 4.6605 4.6791 4.6791 4.8330 4.8330 4.8501 4.8501 5.1214 5.1214 5.1440 5.1440 7.6386 7.6386 7.6619 7.6619 7.8686 7.8686 7.9057 7.9057 8.5790 8.5791 k = 0.5000 0.3580 0.0684 ( 7484 PWs) bands (ev): -5.9477 -5.9477 -5.9477 -5.9477 -5.0931 -5.0931 -5.0927 -5.0927 -0.0246 -0.0246 -0.0099 -0.0099 1.8594 1.8594 1.8976 1.8976 2.5387 2.5387 2.5630 2.5630 2.7880 2.7880 2.8582 2.8582 2.9259 2.9259 2.9552 2.9552 3.1944 3.1944 3.2039 3.2039 3.8802 3.8802 3.8892 3.8892 3.9989 3.9989 4.0178 4.0178 4.6855 4.6855 4.7023 4.7023 4.8170 4.8170 4.8326 4.8326 5.1287 5.1287 5.1463 5.1463 7.6321 7.6321 7.6523 7.6523 7.8344 7.8344 7.8651 7.8651 8.5439 8.5440 k = 0.5000 0.3580 0.0456 ( 7488 PWs) bands (ev): -5.9509 -5.9509 -5.9508 -5.9508 -5.0888 -5.0888 -5.0886 -5.0886 -0.0295 -0.0295 -0.0197 -0.0197 1.8772 1.8772 1.9031 1.9031 2.5452 2.5452 2.5614 2.5614 2.8012 2.8012 2.8492 2.8492 2.9313 2.9313 2.9503 2.9503 3.1979 3.1979 3.2046 3.2046 3.8755 3.8755 3.8818 3.8818 4.0027 4.0027 4.0152 4.0152 4.7089 4.7089 4.7238 4.7238 4.8008 4.8008 4.8148 4.8148 5.1352 5.1352 5.1473 5.1473 7.6308 7.6308 7.6464 7.6464 7.8091 7.8091 7.8318 7.8318 8.5177 8.5179 k = 0.5000 0.3580 0.0228 ( 7484 PWs) bands (ev): -5.9528 -5.9528 -5.9528 -5.9528 -5.0862 -5.0862 -5.0861 -5.0861 -0.0315 -0.0315 -0.0266 -0.0266 1.8906 1.8906 1.9037 1.9037 2.5508 2.5508 2.5589 2.5589 2.8144 2.8144 2.8388 2.8388 2.9363 2.9363 2.9456 2.9456 3.2008 3.2008 3.2043 3.2043 3.8733 3.8733 3.8765 3.8765 4.0063 4.0063 4.0125 4.0125 4.7299 4.7299 4.7413 4.7413 4.7864 4.7864 4.7974 4.7974 5.1407 5.1407 5.1468 5.1468 7.6332 7.6332 7.6420 7.6420 7.7952 7.7952 7.8076 7.8076 8.5016 8.5016 k = 0.5000 0.3580 0.0000 ( 7496 PWs) bands (ev): -5.9534 -5.9534 -5.9534 -5.9534 -5.0853 -5.0853 -5.0853 -5.0853 -0.0306 -0.0306 -0.0306 -0.0306 1.8994 1.8994 1.8994 1.8994 2.5553 2.5553 2.5553 2.5553 2.8271 2.8271 2.8271 2.8271 2.9410 2.9410 2.9410 2.9410 3.2030 3.2030 3.2030 3.2030 3.8736 3.8736 3.8736 3.8736 4.0095 4.0095 4.0095 4.0095 4.7446 4.7446 4.7446 4.7446 4.7840 4.7840 4.7840 4.7840 5.1446 5.1446 5.1446 5.1446 7.6376 7.6376 7.6376 7.6376 7.7948 7.7948 7.7948 7.7948 8.4965 8.4965 k = 0.0000 0.0000 0.8589 ( 7502 PWs) bands (ev): -5.6325 -5.6325 -5.6323 -5.6323 -5.3954 -5.3954 -5.3952 -5.3952 -0.1657 -0.1657 -0.1344 -0.1344 1.0285 1.0285 1.1411 1.1411 2.1157 2.1157 2.3123 2.3123 3.0271 3.0271 3.0517 3.0517 3.0886 3.0886 3.1714 3.1714 3.2723 3.2723 3.2755 3.2755 3.9298 3.9298 4.0511 4.0511 4.1383 4.1383 4.2105 4.2105 4.6767 4.6767 4.6962 4.6962 5.2338 5.2338 5.3060 5.3060 5.5906 5.5906 5.6329 5.6329 7.6676 7.6676 7.7071 7.7071 8.9396 8.9396 8.9499 8.9499 9.8921 9.8921 k = 0.0179 0.0128 0.8589 ( 7506 PWs) bands (ev): -5.6326 -5.6324 -5.6324 -5.6323 -5.3955 -5.3954 -5.3953 -5.3951 -0.1671 -0.1626 -0.1347 -0.1323 1.0228 1.0283 1.1343 1.1387 2.1181 2.1253 2.3154 2.3177 3.0258 3.0273 3.0437 3.0592 3.0831 3.0925 3.1628 3.1788 3.2625 3.2644 3.2802 3.2879 3.9226 3.9369 4.0479 4.0528 4.1370 4.1409 4.2079 4.2138 4.6763 4.6767 4.6936 4.6984 5.2316 5.2353 5.3013 5.3098 5.5857 5.5897 5.6282 5.6316 7.6672 7.6798 7.7090 7.7172 8.9385 8.9389 8.9490 8.9494 9.8908 9.8909 k = 0.0357 0.0256 0.8589 ( 7498 PWs) bands (ev): -5.6326 -5.6324 -5.6323 -5.6321 -5.3957 -5.3955 -5.3954 -5.3951 -0.1669 -0.1578 -0.1331 -0.1284 1.0114 1.0223 1.1189 1.1273 2.1320 2.1462 2.3271 2.3314 3.0235 3.0265 3.0349 3.0661 3.0761 3.0950 3.1533 3.1851 3.2491 3.2565 3.2880 3.2998 3.9153 3.9435 4.0428 4.0533 4.1375 4.1443 4.2060 4.2176 4.6754 4.6762 4.6907 4.7001 5.2286 5.2360 5.2956 5.3127 5.5755 5.5828 5.6177 5.6244 7.6786 7.7033 7.7228 7.7389 8.9354 8.9364 8.9466 8.9473 9.8868 9.8872 k = 0.0536 0.0384 0.8589 ( 7506 PWs) bands (ev): -5.6325 -5.6323 -5.6321 -5.6320 -5.3959 -5.3957 -5.3955 -5.3951 -0.1651 -0.1514 -0.1298 -0.1228 0.9950 1.0110 1.0961 1.1082 2.1563 2.1771 2.3468 2.3526 3.0199 3.0244 3.0253 3.0656 3.0742 3.0962 3.1428 3.1901 3.2357 3.2485 3.2959 3.3111 3.9080 3.9496 4.0356 4.0531 4.1397 4.1480 4.2050 4.2217 4.6741 4.6755 4.6877 4.7012 5.2249 5.2359 5.2888 5.3145 5.5610 5.5704 5.6022 5.6119 7.7012 7.7375 7.7477 7.7716 8.9304 8.9318 8.9425 8.9434 9.8800 9.8812 k = 0.0714 0.0511 0.8589 ( 7524 PWs) bands (ev): -5.6325 -5.6322 -5.6318 -5.6318 -5.3961 -5.3960 -5.3956 -5.3952 -0.1619 -0.1436 -0.1249 -0.1156 0.9747 0.9953 1.0676 1.0829 2.1893 2.2163 2.3736 2.3804 3.0146 3.0147 3.0208 3.0549 3.0804 3.0964 3.1318 3.1935 3.2227 3.2405 3.3036 3.3216 3.9011 3.9550 4.0266 4.0525 4.1436 4.1515 4.2048 4.2259 4.6722 4.6745 4.6847 4.7016 5.2205 5.2350 5.2807 5.3153 5.5435 5.5536 5.5828 5.5952 7.7342 7.7810 7.7830 7.8141 8.9230 8.9249 8.9364 8.9374 9.8705 9.8730 k = 0.0893 0.0639 0.8589 ( 7524 PWs) bands (ev): -5.6324 -5.6321 -5.6316 -5.6315 -5.3964 -5.3963 -5.3958 -5.3954 -0.1574 -0.1346 -0.1187 -0.1070 0.9515 0.9761 1.0354 1.0533 2.2292 2.2621 2.4066 2.4137 3.0025 3.0072 3.0152 3.0417 3.0868 3.0957 3.1207 3.1938 3.2122 3.2325 3.3113 3.3313 3.8948 3.9598 4.0161 4.0518 4.1491 4.1548 4.2055 4.2302 4.6700 4.6734 4.6818 4.7011 5.2153 5.2333 5.2714 5.3149 5.5246 5.5336 5.5608 5.5756 7.7762 7.8271 7.8324 7.8651 8.9128 8.9151 8.9279 8.9288 9.8582 9.8631 k = 0.1071 0.0767 0.8589 ( 7522 PWs) bands (ev): -5.6322 -5.6319 -5.6313 -5.6313 -5.3967 -5.3966 -5.3960 -5.3955 -0.1519 -0.1247 -0.1113 -0.0974 0.9267 0.9548 1.0011 1.0213 2.2739 2.3126 2.4446 2.4513 2.9889 2.9967 3.0072 3.0262 3.0931 3.0942 3.1103 3.1876 3.2080 3.2246 3.3190 3.3400 3.8894 3.9638 4.0042 4.0511 4.1559 4.1576 4.2070 4.2342 4.6674 4.6722 4.6791 4.6997 5.2094 5.2306 5.2607 5.3129 5.5056 5.5120 5.5376 5.5544 7.8257 7.8788 7.8902 7.9231 8.8994 8.9021 8.9164 8.9169 9.8435 9.8517 k = 0.1250 0.0895 0.8589 ( 7522 PWs) bands (ev): -5.6321 -5.6318 -5.6311 -5.6310 -5.3970 -5.3969 -5.3963 -5.3957 -0.1457 -0.1141 -0.1031 -0.0871 0.9015 0.9326 0.9664 0.9887 2.3216 2.3665 2.4864 2.4919 2.9733 2.9823 2.9960 3.0084 3.0924 3.0994 3.1010 3.1774 3.2081 3.2168 3.3264 3.3478 3.8850 3.9672 3.9914 4.0506 4.1597 4.1637 4.2092 4.2376 4.6648 4.6710 4.6766 4.6974 5.2030 5.2269 5.2488 5.3091 5.4879 5.4905 5.5145 5.5329 7.8809 7.9361 7.9527 7.9864 8.8823 8.8855 8.9013 8.9013 9.8270 9.8396 k = 0.1429 0.1023 0.8589 ( 7510 PWs) bands (ev): -5.6319 -5.6316 -5.6308 -5.6308 -5.3973 -5.3973 -5.3965 -5.3959 -0.1392 -0.1034 -0.0945 -0.0765 0.8772 0.9105 0.9325 0.9569 2.3707 2.4223 2.5310 2.5345 2.9556 2.9635 2.9811 2.9886 3.0902 3.0935 3.1055 3.1673 3.2090 3.2091 3.3337 3.3544 3.8820 3.9698 3.9780 4.0503 4.1612 4.1724 4.2119 4.2401 4.6623 4.6699 4.6746 4.6942 5.1964 5.2224 5.2360 5.3034 5.4708 5.4724 5.4929 5.5123 7.9398 7.9974 8.0179 8.0533 8.8614 8.8650 8.8813 8.8823 9.8095 9.8203 k = 0.1607 0.1151 0.8589 ( 7512 PWs) bands (ev): -5.6318 -5.6314 -5.6306 -5.6306 -5.3976 -5.3976 -5.3967 -5.3961 -0.1328 -0.0930 -0.0860 -0.0661 0.8549 0.8896 0.9008 0.9274 2.4194 2.4789 2.5772 2.5778 2.9354 2.9400 2.9619 2.9670 3.0879 3.0879 3.1115 3.1586 3.2018 3.2099 3.3405 3.3597 3.8805 3.9643 3.9718 4.0502 4.1620 4.1816 4.2149 4.2416 4.6602 4.6688 4.6729 4.6901 5.1898 5.2173 5.2229 5.2958 5.4540 5.4597 5.4738 5.4936 8.0001 8.0606 8.0835 8.1216 8.8368 8.8408 8.8567 8.8591 9.7920 9.7991 k = 0.1786 0.1279 0.8589 ( 7496 PWs) bands (ev): -5.6317 -5.6313 -5.6304 -5.6303 -5.3979 -5.3978 -5.3969 -5.3963 -0.1267 -0.0834 -0.0782 -0.0565 0.8358 0.8711 0.8723 0.9013 2.4659 2.5353 2.6210 2.6241 2.9119 2.9128 2.9383 2.9443 3.0839 3.0857 3.1171 3.1516 3.1949 3.2106 3.3470 3.3637 3.8809 3.9505 3.9733 4.0503 4.1624 4.1911 4.2179 4.2417 4.6588 4.6679 4.6716 4.6852 5.1839 5.2102 5.2120 5.2871 5.4409 5.4501 5.4577 5.4773 8.0590 8.1231 8.1470 8.1890 8.8094 8.8138 8.8280 8.8322 9.7757 9.7801 k = 0.1964 0.1406 0.8589 ( 7496 PWs) bands (ev): -5.6315 -5.6312 -5.6302 -5.6302 -5.3981 -5.3981 -5.3971 -5.3965 -0.1215 -0.0751 -0.0714 -0.0482 0.8207 0.8480 0.8557 0.8798 2.5080 2.5903 2.6629 2.6709 2.8799 2.8876 2.9103 2.9216 3.0814 3.0837 3.1223 3.1465 3.1887 3.2110 3.3528 3.3662 3.8833 3.9371 3.9743 4.0504 4.1625 4.2007 4.2205 4.2403 4.6585 4.6672 4.6706 4.6800 5.1791 5.1987 5.2069 5.2783 5.4315 5.4435 5.4451 5.4639 8.1132 8.1820 8.2046 8.2524 8.7812 8.7859 8.7965 8.8028 9.7617 9.7643 k = 0.2143 0.1534 0.8589 ( 7480 PWs) bands (ev): -5.6314 -5.6311 -5.6300 -5.6300 -5.3983 -5.3982 -5.3972 -5.3966 -0.1175 -0.0686 -0.0663 -0.0418 0.8105 0.8287 0.8442 0.8636 2.5428 2.6430 2.7017 2.7168 2.8451 2.8601 2.8782 2.9013 3.0801 3.0820 3.1267 3.1430 3.1836 3.2113 3.3579 3.3672 3.8878 3.9245 3.9750 4.0506 4.1624 4.2099 4.2227 4.2371 4.6594 4.6667 4.6700 4.6746 5.1761 5.1890 5.2026 5.2708 5.4253 5.4362 5.4399 5.4534 8.1582 8.2330 8.2515 8.3069 8.7561 8.7604 8.7656 8.7738 9.7510 9.7525 k = 0.2321 0.1662 0.8589 ( 7500 PWs) bands (ev): -5.6314 -5.6310 -5.6300 -5.6300 -5.3984 -5.3984 -5.3973 -5.3967 -0.1149 -0.0643 -0.0632 -0.0378 0.8060 0.8151 0.8370 0.8537 2.5664 2.6915 2.7319 2.7609 2.8130 2.8314 2.8424 2.8865 3.0795 3.0806 3.1297 3.1410 3.1801 3.2115 3.3620 3.3668 3.8943 3.9129 3.9753 4.0507 4.1623 4.2184 4.2240 4.2323 4.6616 4.6664 4.6695 4.6696 5.1753 5.1818 5.1998 5.2657 5.4218 5.4309 5.4390 5.4457 8.1887 8.2705 8.2813 8.3457 8.7396 8.7414 8.7420 8.7499 9.7444 9.7450 k = 0.2500 0.1790 0.8589 ( 7500 PWs) bands (ev): -5.6314 -5.6310 -5.6299 -5.6299 -5.3984 -5.3984 -5.3973 -5.3967 -0.1141 -0.0625 -0.0625 -0.0364 0.8074 0.8075 0.8346 0.8503 2.5749 2.7294 2.7294 2.7998 2.8064 2.8074 2.8074 2.8810 3.0798 3.0798 3.1309 3.1404 3.1788 3.2115 3.3650 3.3650 3.9027 3.9027 3.9754 4.0507 4.1622 4.2244 4.2260 4.2260 4.6651 4.6651 4.6663 4.6695 5.1772 5.1772 5.1988 5.2639 5.4207 5.4291 5.4410 5.4410 8.1996 8.2881 8.2881 8.3601 8.7319 8.7351 8.7372 8.7372 9.7424 9.7424 Writing output data file AlCuTe2.save init_run : 1.33s CPU 0.77s WALL ( 1 calls) electrons : 604.85s CPU 551.71s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.18s CPU 0.13s WALL ( 1 calls) Called by electrons: c_bands : 604.84s CPU 551.69s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.44s CPU 0.23s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.35s CPU 0.41s WALL ( 261 calls) cegterg : 489.68s CPU 432.44s WALL ( 516 calls) Called by sum_band: Called by *egterg: h_psi : 379.32s CPU 304.64s WALL ( 8421 calls) s_psi : 19.12s CPU 14.91s WALL ( 8421 calls) g_psi : 0.21s CPU 0.24s WALL ( 7644 calls) cdiaghg : 122.82s CPU 117.81s WALL ( 7905 calls) cegterg:over : 11.81s CPU 11.24s WALL ( 7644 calls) cegterg:upda : 8.06s CPU 7.66s WALL ( 7644 calls) cegterg:last : 4.04s CPU 4.16s WALL ( 1235 calls) cdiaghg:chol : 5.17s CPU 5.08s WALL ( 7905 calls) cdiaghg:inve : 2.81s CPU 2.88s WALL ( 7905 calls) cdiaghg:para : 6.57s CPU 6.66s WALL ( 15810 calls) Called by h_psi: h_psi:vloc : 341.94s CPU 274.75s WALL ( 8421 calls) h_psi:vnl : 37.06s CPU 29.64s WALL ( 8421 calls) add_vuspsi : 21.76s CPU 16.99s WALL ( 8421 calls) General routines calbec : 15.24s CPU 12.63s WALL ( 8421 calls) fft : 0.08s CPU 0.05s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 334.50s CPU 268.83s WALL ( 889064 calls) interpolate : 0.03s CPU 0.02s WALL ( 4 calls) davcio : 0.39s CPU 18.12s WALL ( 522 calls) Parallel routines fft_scatter : 231.85s CPU 207.18s WALL ( 889087 calls) PWSCF : 10m39.49s CPU 10m16.62s WALL This run was terminated on: 15:43: 1 15Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=