Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:33:32 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SrxCuGex2.save/ 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 k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 64 44 13 1262 732 116 Max 65 45 14 1264 754 118 Sum 2315 1617 471 45467 26625 4215 bravais-lattice index = 14 lattice parameter (alat) = 11.2471 a.u. unit-cell volume = 631.0808 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 263.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.247139 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.742641 celldm(5)= -0.742641 celldm(6)= 0.485282 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.485282 0.874358 0.000000 ) a(3) = ( -0.742641 -0.437179 0.507306 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.555016 0.985599 ) b(2) = ( 0.000000 1.143697 0.985599 ) b(3) = ( 0.000000 0.000000 1.971198 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 PseudoPot. # 3 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 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 Ge 4.00 72.64000 Ge( 1.00) Cu 11.00 63.54600 Cu( 1.00) Sr 10.00 87.62000 Sr( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 343 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029155 k( 2) = ( 0.0000000 0.0000000 0.0185962), wk = 0.0029155 k( 3) = ( 0.0000000 0.0000000 0.0371924), wk = 0.0029155 k( 4) = ( 0.0000000 0.0000000 0.0557886), wk = 0.0029155 k( 5) = ( 0.0000000 0.0000000 0.0743848), wk = 0.0029155 k( 6) = ( 0.0000000 0.0000000 0.0929811), wk = 0.0029155 k( 7) = ( 0.0000000 0.0000000 0.1115773), wk = 0.0029155 k( 8) = ( 0.0000000 0.0000000 0.1301735), wk = 0.0029155 k( 9) = ( 0.0000000 0.0000000 0.1487697), wk = 0.0029155 k( 10) = ( 0.0000000 0.0000000 0.1673659), wk = 0.0029155 k( 11) = ( 0.0000000 0.0000000 0.1859621), wk = 0.0029155 k( 12) = ( 0.0000000 0.0000000 0.2045583), wk = 0.0029155 k( 13) = ( 0.0000000 0.0000000 0.2231545), wk = 0.0029155 k( 14) = ( 0.0000000 0.0000000 0.2417508), wk = 0.0029155 k( 15) = ( 0.0000000 0.0000000 0.2603470), wk = 0.0029155 k( 16) = ( 0.0000000 0.0000000 0.2789432), wk = 0.0029155 k( 17) = ( 0.0000000 0.0000000 0.2975394), wk = 0.0029155 k( 18) = ( 0.0000000 0.0000000 0.3161356), wk = 0.0029155 k( 19) = ( 0.0000000 0.0000000 0.3347318), wk = 0.0029155 k( 20) = ( 0.0000000 0.0000000 0.3533280), wk = 0.0029155 k( 21) = ( 0.0000000 0.0000000 0.3719242), wk = 0.0029155 k( 22) = ( 0.0000000 0.0000000 0.3905205), wk = 0.0029155 k( 23) = ( 0.0000000 0.0000000 0.4091167), wk = 0.0029155 k( 24) = ( 0.0000000 0.0000000 0.4277129), wk = 0.0029155 k( 25) = ( 0.0000000 0.0000000 0.4463091), wk = 0.0029155 k( 26) = ( 0.0000000 0.0000000 0.4649053), wk = 0.0029155 k( 27) = ( 0.0000000 0.0000000 0.4835015), wk = 0.0029155 k( 28) = ( 0.0000000 0.0000000 0.5020977), wk = 0.0029155 k( 29) = ( 0.0000000 0.0000000 0.5206939), wk = 0.0029155 k( 30) = ( 0.0000000 0.0000000 0.5392902), wk = 0.0029155 k( 31) = ( 0.0000000 0.0000000 0.5578864), wk = 0.0029155 k( 32) = ( 0.0000000 0.0000000 0.5764826), wk = 0.0029155 k( 33) = ( 0.0000000 0.0000000 0.5950788), wk = 0.0029155 k( 34) = ( 0.0000000 0.0000000 0.6136750), wk = 0.0029155 k( 35) = ( 0.0000000 0.0000000 0.6322712), wk = 0.0029155 k( 36) = ( 0.0000000 0.0000000 0.6508674), wk = 0.0029155 k( 37) = ( 0.0000000 0.0000000 0.6694636), wk = 0.0029155 k( 38) = ( 0.0000000 0.0000000 0.6880598), wk = 0.0029155 k( 39) = ( 0.0000000 0.0000000 0.7066561), wk = 0.0029155 k( 40) = ( 0.0000000 0.0000000 0.7252523), wk = 0.0029155 k( 41) = ( 0.0000000 0.0000000 0.7438485), wk = 0.0029155 k( 42) = ( 0.0000000 0.0000000 0.7624447), wk = 0.0029155 k( 43) = ( 0.0000000 0.0000000 0.7810409), wk = 0.0029155 k( 44) = ( 0.0000000 0.0000000 0.7996371), wk = 0.0029155 k( 45) = ( 0.0000000 0.0000000 0.8182333), wk = 0.0029155 k( 46) = ( 0.0000000 0.0000000 0.8368295), wk = 0.0029155 k( 47) = ( 0.0000000 0.0000000 0.8554257), wk = 0.0029155 k( 48) = ( 0.0000000 0.0000000 0.8740220), wk = 0.0029155 k( 49) = ( 0.0000000 0.0000000 0.8926182), wk = 0.0029155 k( 50) = ( 0.0000000 0.0000000 0.9112144), wk = 0.0029155 k( 51) = ( 0.0000000 0.0000000 0.9298106), wk = 0.0029155 k( 52) = ( 0.0000000 0.0000000 0.9484068), wk = 0.0029155 k( 53) = ( 0.0000000 0.0000000 0.9670030), wk = 0.0029155 k( 54) = ( 0.0000000 0.0000000 0.9855992), wk = 0.0029155 k( 55) = ( 0.0000000 0.0000000 0.9855992), wk = 0.0029155 k( 56) = ( -0.0086636 0.0147170 0.9855992), wk = 0.0029155 k( 57) = ( -0.0173273 0.0294341 0.9855992), wk = 0.0029155 k( 58) = ( -0.0259909 0.0441511 0.9855992), wk = 0.0029155 k( 59) = ( -0.0346546 0.0588681 0.9855992), wk = 0.0029155 k( 60) = ( -0.0433182 0.0735852 0.9855992), wk = 0.0029155 k( 61) = ( -0.0519818 0.0883022 0.9855992), wk = 0.0029155 k( 62) = ( -0.0606455 0.1030192 0.9855992), wk = 0.0029155 k( 63) = ( -0.0693091 0.1177362 0.9855992), wk = 0.0029155 k( 64) = ( -0.0779727 0.1324533 0.9855992), wk = 0.0029155 k( 65) = ( -0.0866364 0.1471703 0.9855992), wk = 0.0029155 k( 66) = ( -0.0866364 0.1471703 0.9855992), wk = 0.0029155 k( 67) = ( -0.0933035 0.1584959 0.9724570), wk = 0.0029155 k( 68) = ( -0.0999707 0.1698215 0.9593147), wk = 0.0029155 k( 69) = ( -0.1066379 0.1811470 0.9461724), wk = 0.0029155 k( 70) = ( -0.1133050 0.1924726 0.9330301), wk = 0.0029155 k( 71) = ( -0.1199722 0.2037982 0.9198878), wk = 0.0029155 k( 72) = ( -0.1266393 0.2151238 0.9067455), wk = 0.0029155 k( 73) = ( -0.1333065 0.2264494 0.8936032), wk = 0.0029155 k( 74) = ( -0.1399736 0.2377749 0.8804609), wk = 0.0029155 k( 75) = ( -0.1466408 0.2491005 0.8673187), wk = 0.0029155 k( 76) = ( -0.1533079 0.2604261 0.8541764), wk = 0.0029155 k( 77) = ( -0.1599751 0.2717517 0.8410341), wk = 0.0029155 k( 78) = ( -0.1666422 0.2830772 0.8278918), wk = 0.0029155 k( 79) = ( -0.1733094 0.2944028 0.8147495), wk = 0.0029155 k( 80) = ( -0.1799766 0.3057284 0.8016072), wk = 0.0029155 k( 81) = ( -0.1866437 0.3170540 0.7884650), wk = 0.0029155 k( 82) = ( -0.1933109 0.3283795 0.7753227), wk = 0.0029155 k( 83) = ( -0.1999780 0.3397051 0.7621804), wk = 0.0029155 k( 84) = ( -0.2066452 0.3510307 0.7490381), wk = 0.0029155 k( 85) = ( -0.2133123 0.3623563 0.7358958), wk = 0.0029155 k( 86) = ( -0.2199795 0.3736819 0.7227535), wk = 0.0029155 k( 87) = ( -0.2266467 0.3850074 0.7096112), wk = 0.0029155 k( 88) = ( -0.2333138 0.3963330 0.6964689), wk = 0.0029155 k( 89) = ( -0.2399810 0.4076586 0.6833267), wk = 0.0029155 k( 90) = ( -0.2466481 0.4189842 0.6701844), wk = 0.0029155 k( 91) = ( -0.2533153 0.4303098 0.6570421), wk = 0.0029155 k( 92) = ( -0.2599824 0.4416353 0.6438998), wk = 0.0029155 k( 93) = ( -0.2666496 0.4529609 0.6307575), wk = 0.0029155 k( 94) = ( -0.2733167 0.4642865 0.6176152), wk = 0.0029155 k( 95) = ( -0.2799839 0.4756121 0.6044730), wk = 0.0029155 k( 96) = ( -0.2866510 0.4869376 0.5913307), wk = 0.0029155 k( 97) = ( -0.2933182 0.4982632 0.5781884), wk = 0.0029155 k( 98) = ( -0.2933182 0.4982632 0.5781884), wk = 0.0029155 k( 99) = ( -0.2866519 0.4869390 0.5650477), wk = 0.0029155 k( 100) = ( -0.2799856 0.4756149 0.5519071), wk = 0.0029155 k( 101) = ( -0.2733192 0.4642907 0.5387664), wk = 0.0029155 k( 102) = ( -0.2666529 0.4529666 0.5256258), wk = 0.0029155 k( 103) = ( -0.2599866 0.4416424 0.5124851), wk = 0.0029155 k( 104) = ( -0.2533203 0.4303182 0.4993445), wk = 0.0029155 k( 105) = ( -0.2466539 0.4189941 0.4862039), wk = 0.0029155 k( 106) = ( -0.2399876 0.4076699 0.4730632), wk = 0.0029155 k( 107) = ( -0.2333213 0.3963457 0.4599226), wk = 0.0029155 k( 108) = ( -0.2266550 0.3850216 0.4467819), wk = 0.0029155 k( 109) = ( -0.2199887 0.3736974 0.4336413), wk = 0.0029155 k( 110) = ( -0.2133223 0.3623732 0.4205006), wk = 0.0029155 k( 111) = ( -0.2066560 0.3510491 0.4073600), wk = 0.0029155 k( 112) = ( -0.1999897 0.3397249 0.3942193), wk = 0.0029155 k( 113) = ( -0.1933234 0.3284008 0.3810787), wk = 0.0029155 k( 114) = ( -0.1866570 0.3170766 0.3679380), wk = 0.0029155 k( 115) = ( -0.1799907 0.3057524 0.3547974), wk = 0.0029155 k( 116) = ( -0.1733244 0.2944283 0.3416568), wk = 0.0029155 k( 117) = ( -0.1666581 0.2831041 0.3285161), wk = 0.0029155 k( 118) = ( -0.1599917 0.2717799 0.3153755), wk = 0.0029155 k( 119) = ( -0.1533254 0.2604558 0.3022348), wk = 0.0029155 k( 120) = ( -0.1466591 0.2491316 0.2890942), wk = 0.0029155 k( 121) = ( -0.1399928 0.2378075 0.2759536), wk = 0.0029155 k( 122) = ( -0.1333265 0.2264833 0.2628129), wk = 0.0029155 k( 123) = ( -0.1266601 0.2151591 0.2496723), wk = 0.0029155 k( 124) = ( -0.1199938 0.2038350 0.2365316), wk = 0.0029155 k( 125) = ( -0.1133275 0.1925108 0.2233910), wk = 0.0029155 k( 126) = ( -0.1066612 0.1811866 0.2102503), wk = 0.0029155 k( 127) = ( -0.0999948 0.1698625 0.1971097), wk = 0.0029155 k( 128) = ( -0.0933285 0.1585383 0.1839690), wk = 0.0029155 k( 129) = ( -0.0866622 0.1472141 0.1708284), wk = 0.0029155 k( 130) = ( -0.0799959 0.1358900 0.1576877), wk = 0.0029155 k( 131) = ( -0.0733295 0.1245658 0.1445471), wk = 0.0029155 k( 132) = ( -0.0666632 0.1132416 0.1314065), wk = 0.0029155 k( 133) = ( -0.0599969 0.1019175 0.1182658), wk = 0.0029155 k( 134) = ( -0.0533306 0.0905933 0.1051252), wk = 0.0029155 k( 135) = ( -0.0466643 0.0792692 0.0919845), wk = 0.0029155 k( 136) = ( -0.0399979 0.0679450 0.0788439), wk = 0.0029155 k( 137) = ( -0.0333316 0.0566208 0.0657032), wk = 0.0029155 k( 138) = ( -0.0266653 0.0452967 0.0525626), wk = 0.0029155 k( 139) = ( -0.0199990 0.0339725 0.0394219), wk = 0.0029155 k( 140) = ( -0.0133326 0.0226483 0.0262813), wk = 0.0029155 k( 141) = ( -0.0066663 0.0113242 0.0131406), wk = 0.0029155 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029155 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029155 k( 144) = ( 0.0161290 0.0094949 -0.0000000), wk = 0.0029155 k( 145) = ( 0.0322581 0.0189897 -0.0000000), wk = 0.0029155 k( 146) = ( 0.0483871 0.0284846 -0.0000000), wk = 0.0029155 k( 147) = ( 0.0645161 0.0379794 -0.0000000), wk = 0.0029155 k( 148) = ( 0.0806452 0.0474743 -0.0000000), wk = 0.0029155 k( 149) = ( 0.0967742 0.0569691 -0.0000000), wk = 0.0029155 k( 150) = ( 0.1129032 0.0664640 -0.0000000), wk = 0.0029155 k( 151) = ( 0.1290323 0.0759589 -0.0000000), wk = 0.0029155 k( 152) = ( 0.1451613 0.0854537 -0.0000000), wk = 0.0029155 k( 153) = ( 0.1612903 0.0949486 -0.0000000), wk = 0.0029155 k( 154) = ( 0.1774194 0.1044434 -0.0000000), wk = 0.0029155 k( 155) = ( 0.1935484 0.1139383 -0.0000000), wk = 0.0029155 k( 156) = ( 0.2096774 0.1234332 -0.0000000), wk = 0.0029155 k( 157) = ( 0.2258064 0.1329280 -0.0000000), wk = 0.0029155 k( 158) = ( 0.2419355 0.1424229 -0.0000000), wk = 0.0029155 k( 159) = ( 0.2580645 0.1519177 -0.0000000), wk = 0.0029155 k( 160) = ( 0.2741936 0.1614126 -0.0000000), wk = 0.0029155 k( 161) = ( 0.2903226 0.1709074 -0.0000000), wk = 0.0029155 k( 162) = ( 0.3064516 0.1804023 -0.0000000), wk = 0.0029155 k( 163) = ( 0.3225807 0.1898972 -0.0000000), wk = 0.0029155 k( 164) = ( 0.3387097 0.1993920 -0.0000000), wk = 0.0029155 k( 165) = ( 0.3548387 0.2088869 -0.0000000), wk = 0.0029155 k( 166) = ( 0.3709677 0.2183817 -0.0000000), wk = 0.0029155 k( 167) = ( 0.3870968 0.2278766 -0.0000000), wk = 0.0029155 k( 168) = ( 0.4032258 0.2373715 -0.0000000), wk = 0.0029155 k( 169) = ( 0.4193548 0.2468663 -0.0000000), wk = 0.0029155 k( 170) = ( 0.4354839 0.2563612 -0.0000000), wk = 0.0029155 k( 171) = ( 0.4516129 0.2658560 -0.0000000), wk = 0.0029155 k( 172) = ( 0.4677419 0.2753509 -0.0000000), wk = 0.0029155 k( 173) = ( 0.4838710 0.2848458 -0.0000000), wk = 0.0029155 k( 174) = ( 0.5000000 0.2943406 -0.0000000), wk = 0.0029155 k( 175) = ( 0.5000000 0.2943406 -0.0000000), wk = 0.0029155 k( 176) = ( 0.4933328 0.3056662 0.0131423), wk = 0.0029155 k( 177) = ( 0.4866657 0.3169918 0.0262846), wk = 0.0029155 k( 178) = ( 0.4799985 0.3283173 0.0394268), wk = 0.0029155 k( 179) = ( 0.4733314 0.3396429 0.0525691), wk = 0.0029155 k( 180) = ( 0.4666642 0.3509685 0.0657114), wk = 0.0029155 k( 181) = ( 0.4599971 0.3622941 0.0788537), wk = 0.0029155 k( 182) = ( 0.4533299 0.3736196 0.0919960), wk = 0.0029155 k( 183) = ( 0.4466628 0.3849452 0.1051383), wk = 0.0029155 k( 184) = ( 0.4399956 0.3962708 0.1182806), wk = 0.0029155 k( 185) = ( 0.4333284 0.4075964 0.1314229), wk = 0.0029155 k( 186) = ( 0.4266613 0.4189220 0.1445651), wk = 0.0029155 k( 187) = ( 0.4199941 0.4302475 0.1577074), wk = 0.0029155 k( 188) = ( 0.4133270 0.4415731 0.1708497), wk = 0.0029155 k( 189) = ( 0.4066598 0.4528987 0.1839920), wk = 0.0029155 k( 190) = ( 0.3999927 0.4642243 0.1971343), wk = 0.0029155 k( 191) = ( 0.3933255 0.4755499 0.2102766), wk = 0.0029155 k( 192) = ( 0.3866584 0.4868754 0.2234188), wk = 0.0029155 k( 193) = ( 0.3799912 0.4982010 0.2365611), wk = 0.0029155 k( 194) = ( 0.3733241 0.5095266 0.2497034), wk = 0.0029155 k( 195) = ( 0.3666569 0.5208522 0.2628457), wk = 0.0029155 k( 196) = ( 0.3599897 0.5321777 0.2759880), wk = 0.0029155 k( 197) = ( 0.3533226 0.5435033 0.2891303), wk = 0.0029155 k( 198) = ( 0.3466554 0.5548289 0.3022726), wk = 0.0029155 k( 199) = ( 0.3399883 0.5661545 0.3154149), wk = 0.0029155 k( 200) = ( 0.3333211 0.5774800 0.3285571), wk = 0.0029155 k( 201) = ( 0.3266540 0.5888056 0.3416994), wk = 0.0029155 k( 202) = ( 0.3199868 0.6001312 0.3548417), wk = 0.0029155 k( 203) = ( 0.3133197 0.6114568 0.3679840), wk = 0.0029155 k( 204) = ( 0.3066525 0.6227824 0.3811263), wk = 0.0029155 k( 205) = ( 0.2999853 0.6341079 0.3942686), wk = 0.0029155 k( 206) = ( 0.2933182 0.6454335 0.4074108), wk = 0.0029155 k( 207) = ( 0.2933182 0.6454335 0.4074108), wk = 0.0029155 k( 208) = ( 0.2760642 0.6411050 0.4124337), wk = 0.0029155 k( 209) = ( 0.2588102 0.6367765 0.4174566), wk = 0.0029155 k( 210) = ( 0.2415562 0.6324479 0.4224795), wk = 0.0029155 k( 211) = ( 0.2243022 0.6281194 0.4275023), wk = 0.0029155 k( 212) = ( 0.2070481 0.6237908 0.4325252), wk = 0.0029155 k( 213) = ( 0.1897941 0.6194623 0.4375481), wk = 0.0029155 k( 214) = ( 0.1725401 0.6151337 0.4425709), wk = 0.0029155 k( 215) = ( 0.1552861 0.6108052 0.4475938), wk = 0.0029155 k( 216) = ( 0.1380321 0.6064767 0.4526167), wk = 0.0029155 k( 217) = ( 0.1207781 0.6021481 0.4576395), wk = 0.0029155 k( 218) = ( 0.1035241 0.5978196 0.4626624), wk = 0.0029155 k( 219) = ( 0.0862701 0.5934911 0.4676853), wk = 0.0029155 k( 220) = ( 0.0690160 0.5891625 0.4727081), wk = 0.0029155 k( 221) = ( 0.0517620 0.5848340 0.4777310), wk = 0.0029155 k( 222) = ( 0.0345080 0.5805055 0.4827539), wk = 0.0029155 k( 223) = ( 0.0172540 0.5761769 0.4877767), wk = 0.0029155 k( 224) = ( 0.0000000 0.5718484 0.4927996), wk = 0.0029155 k( 225) = ( 0.0000000 0.5718484 0.4927996), wk = 0.0029155 k( 226) = ( 0.0067568 0.5603706 0.5061185), wk = 0.0029155 k( 227) = ( 0.0135135 0.5488928 0.5194374), wk = 0.0029155 k( 228) = ( 0.0202703 0.5374150 0.5327563), wk = 0.0029155 k( 229) = ( 0.0270270 0.5259372 0.5460753), wk = 0.0029155 k( 230) = ( 0.0337838 0.5144594 0.5593941), wk = 0.0029155 k( 231) = ( 0.0405405 0.5029817 0.5727131), wk = 0.0029155 k( 232) = ( 0.0472973 0.4915039 0.5860320), wk = 0.0029155 k( 233) = ( 0.0540540 0.4800261 0.5993509), wk = 0.0029155 k( 234) = ( 0.0608108 0.4685483 0.6126698), wk = 0.0029155 k( 235) = ( 0.0675676 0.4570705 0.6259887), wk = 0.0029155 k( 236) = ( 0.0743243 0.4455927 0.6393076), wk = 0.0029155 k( 237) = ( 0.0810811 0.4341149 0.6526265), wk = 0.0029155 k( 238) = ( 0.0878378 0.4226372 0.6659454), wk = 0.0029155 k( 239) = ( 0.0945946 0.4111594 0.6792643), wk = 0.0029155 k( 240) = ( 0.1013514 0.3996816 0.6925832), wk = 0.0029155 k( 241) = ( 0.1081081 0.3882038 0.7059022), wk = 0.0029155 k( 242) = ( 0.1148649 0.3767260 0.7192210), wk = 0.0029155 k( 243) = ( 0.1216216 0.3652482 0.7325400), wk = 0.0029155 k( 244) = ( 0.1283784 0.3537704 0.7458589), wk = 0.0029155 k( 245) = ( 0.1351351 0.3422927 0.7591778), wk = 0.0029155 k( 246) = ( 0.1418919 0.3308149 0.7724967), wk = 0.0029155 k( 247) = ( 0.1486486 0.3193371 0.7858156), wk = 0.0029155 k( 248) = ( 0.1554054 0.3078593 0.7991345), wk = 0.0029155 k( 249) = ( 0.1621622 0.2963815 0.8124534), wk = 0.0029155 k( 250) = ( 0.1689189 0.2849037 0.8257723), wk = 0.0029155 k( 251) = ( 0.1756757 0.2734259 0.8390912), wk = 0.0029155 k( 252) = ( 0.1824324 0.2619482 0.8524101), wk = 0.0029155 k( 253) = ( 0.1891892 0.2504704 0.8657291), wk = 0.0029155 k( 254) = ( 0.1959460 0.2389926 0.8790480), wk = 0.0029155 k( 255) = ( 0.2027027 0.2275148 0.8923669), wk = 0.0029155 k( 256) = ( 0.2094595 0.2160370 0.9056858), wk = 0.0029155 k( 257) = ( 0.2162162 0.2045592 0.9190047), wk = 0.0029155 k( 258) = ( 0.2229730 0.1930815 0.9323236), wk = 0.0029155 k( 259) = ( 0.2297297 0.1816037 0.9456425), wk = 0.0029155 k( 260) = ( 0.2364865 0.1701259 0.9589614), wk = 0.0029155 k( 261) = ( 0.2432432 0.1586481 0.9722803), wk = 0.0029155 k( 262) = ( 0.2500000 0.1471703 0.9855992), wk = 0.0029155 k( 263) = ( 0.2500000 0.1471703 0.9855992), wk = 0.0029155 k( 264) = ( 0.2638889 0.1553464 0.9761116), wk = 0.0029155 k( 265) = ( 0.2777778 0.1635226 0.9666240), wk = 0.0029155 k( 266) = ( 0.2916667 0.1716987 0.9571363), wk = 0.0029155 k( 267) = ( 0.3055556 0.1798748 0.9476487), wk = 0.0029155 k( 268) = ( 0.3194444 0.1880509 0.9381610), wk = 0.0029155 k( 269) = ( 0.3333333 0.1962271 0.9286734), wk = 0.0029155 k( 270) = ( 0.3472222 0.2044032 0.9191857), wk = 0.0029155 k( 271) = ( 0.3611111 0.2125793 0.9096981), wk = 0.0029155 k( 272) = ( 0.3750000 0.2207555 0.9002105), wk = 0.0029155 k( 273) = ( 0.3888889 0.2289316 0.8907228), wk = 0.0029155 k( 274) = ( 0.4027778 0.2371077 0.8812352), wk = 0.0029155 k( 275) = ( 0.4166667 0.2452838 0.8717476), wk = 0.0029155 k( 276) = ( 0.4305556 0.2534600 0.8622599), wk = 0.0029155 k( 277) = ( 0.4444444 0.2616361 0.8527722), wk = 0.0029155 k( 278) = ( 0.4583333 0.2698122 0.8432846), wk = 0.0029155 k( 279) = ( 0.4722222 0.2779884 0.8337970), wk = 0.0029155 k( 280) = ( 0.4861111 0.2861645 0.8243093), wk = 0.0029155 k( 281) = ( 0.5000000 0.2943406 0.8148217), wk = 0.0029155 k( 282) = ( 0.5000000 0.2943406 0.8148217), wk = 0.0029155 k( 283) = ( 0.5000000 0.2943406 0.7963030), wk = 0.0029155 k( 284) = ( 0.5000000 0.2943406 0.7777843), wk = 0.0029155 k( 285) = ( 0.5000000 0.2943406 0.7592657), wk = 0.0029155 k( 286) = ( 0.5000000 0.2943406 0.7407470), wk = 0.0029155 k( 287) = ( 0.5000000 0.2943406 0.7222283), wk = 0.0029155 k( 288) = ( 0.5000000 0.2943406 0.7037096), wk = 0.0029155 k( 289) = ( 0.5000000 0.2943406 0.6851910), wk = 0.0029155 k( 290) = ( 0.5000000 0.2943406 0.6666723), wk = 0.0029155 k( 291) = ( 0.5000000 0.2943406 0.6481536), wk = 0.0029155 k( 292) = ( 0.5000000 0.2943406 0.6296349), wk = 0.0029155 k( 293) = ( 0.5000000 0.2943406 0.6111163), wk = 0.0029155 k( 294) = ( 0.5000000 0.2943406 0.5925976), wk = 0.0029155 k( 295) = ( 0.5000000 0.2943406 0.5740789), wk = 0.0029155 k( 296) = ( 0.5000000 0.2943406 0.5555602), wk = 0.0029155 k( 297) = ( 0.5000000 0.2943406 0.5370416), wk = 0.0029155 k( 298) = ( 0.5000000 0.2943406 0.5185229), wk = 0.0029155 k( 299) = ( 0.5000000 0.2943406 0.5000042), wk = 0.0029155 k( 300) = ( 0.5000000 0.2943406 0.4814855), wk = 0.0029155 k( 301) = ( 0.5000000 0.2943406 0.4629669), wk = 0.0029155 k( 302) = ( 0.5000000 0.2943406 0.4444482), wk = 0.0029155 k( 303) = ( 0.5000000 0.2943406 0.4259295), wk = 0.0029155 k( 304) = ( 0.5000000 0.2943406 0.4074108), wk = 0.0029155 k( 305) = ( 0.5000000 0.2943406 0.3888922), wk = 0.0029155 k( 306) = ( 0.5000000 0.2943406 0.3703735), wk = 0.0029155 k( 307) = ( 0.5000000 0.2943406 0.3518548), wk = 0.0029155 k( 308) = ( 0.5000000 0.2943406 0.3333361), wk = 0.0029155 k( 309) = ( 0.5000000 0.2943406 0.3148175), wk = 0.0029155 k( 310) = ( 0.5000000 0.2943406 0.2962988), wk = 0.0029155 k( 311) = ( 0.5000000 0.2943406 0.2777801), wk = 0.0029155 k( 312) = ( 0.5000000 0.2943406 0.2592614), wk = 0.0029155 k( 313) = ( 0.5000000 0.2943406 0.2407428), wk = 0.0029155 k( 314) = ( 0.5000000 0.2943406 0.2222241), wk = 0.0029155 k( 315) = ( 0.5000000 0.2943406 0.2037054), wk = 0.0029155 k( 316) = ( 0.5000000 0.2943406 0.1851867), wk = 0.0029155 k( 317) = ( 0.5000000 0.2943406 0.1666681), wk = 0.0029155 k( 318) = ( 0.5000000 0.2943406 0.1481494), wk = 0.0029155 k( 319) = ( 0.5000000 0.2943406 0.1296307), wk = 0.0029155 k( 320) = ( 0.5000000 0.2943406 0.1111120), wk = 0.0029155 k( 321) = ( 0.5000000 0.2943406 0.0925934), wk = 0.0029155 k( 322) = ( 0.5000000 0.2943406 0.0740747), wk = 0.0029155 k( 323) = ( 0.5000000 0.2943406 0.0555560), wk = 0.0029155 k( 324) = ( 0.5000000 0.2943406 0.0370373), wk = 0.0029155 k( 325) = ( 0.5000000 0.2943406 0.0185187), wk = 0.0029155 k( 326) = ( 0.5000000 0.2943406 -0.0000000), wk = 0.0029155 k( 327) = ( 0.0000000 0.0000000 0.9855992), wk = 0.0029155 k( 328) = ( 0.0156250 0.0091981 0.9855992), wk = 0.0029155 k( 329) = ( 0.0312500 0.0183963 0.9855992), wk = 0.0029155 k( 330) = ( 0.0468750 0.0275944 0.9855992), wk = 0.0029155 k( 331) = ( 0.0625000 0.0367926 0.9855992), wk = 0.0029155 k( 332) = ( 0.0781250 0.0459907 0.9855992), wk = 0.0029155 k( 333) = ( 0.0937500 0.0551889 0.9855992), wk = 0.0029155 k( 334) = ( 0.1093750 0.0643870 0.9855992), wk = 0.0029155 k( 335) = ( 0.1250000 0.0735852 0.9855992), wk = 0.0029155 k( 336) = ( 0.1406250 0.0827833 0.9855992), wk = 0.0029155 k( 337) = ( 0.1562500 0.0919814 0.9855992), wk = 0.0029155 k( 338) = ( 0.1718750 0.1011796 0.9855992), wk = 0.0029155 k( 339) = ( 0.1875000 0.1103777 0.9855992), wk = 0.0029155 k( 340) = ( 0.2031250 0.1195759 0.9855992), wk = 0.0029155 k( 341) = ( 0.2187500 0.1287740 0.9855992), wk = 0.0029155 k( 342) = ( 0.2343750 0.1379722 0.9855992), wk = 0.0029155 k( 343) = ( 0.2500000 0.1471703 0.9855992), wk = 0.0029155 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029155 k( 2) = ( 0.0000000 0.0000000 0.0094340), wk = 0.0029155 k( 3) = ( 0.0000000 0.0000000 0.0188679), wk = 0.0029155 k( 4) = ( 0.0000000 0.0000000 0.0283019), wk = 0.0029155 k( 5) = ( 0.0000000 0.0000000 0.0377359), wk = 0.0029155 k( 6) = ( 0.0000000 0.0000000 0.0471698), wk = 0.0029155 k( 7) = ( 0.0000000 0.0000000 0.0566038), wk = 0.0029155 k( 8) = ( 0.0000000 0.0000000 0.0660377), wk = 0.0029155 k( 9) = ( 0.0000000 0.0000000 0.0754717), wk = 0.0029155 k( 10) = ( 0.0000000 0.0000000 0.0849057), wk = 0.0029155 k( 11) = ( 0.0000000 0.0000000 0.0943396), wk = 0.0029155 k( 12) = ( 0.0000000 0.0000000 0.1037736), wk = 0.0029155 k( 13) = ( 0.0000000 0.0000000 0.1132076), wk = 0.0029155 k( 14) = ( 0.0000000 0.0000000 0.1226415), wk = 0.0029155 k( 15) = ( 0.0000000 0.0000000 0.1320755), wk = 0.0029155 k( 16) = ( 0.0000000 0.0000000 0.1415094), wk = 0.0029155 k( 17) = ( 0.0000000 0.0000000 0.1509434), wk = 0.0029155 k( 18) = ( 0.0000000 0.0000000 0.1603774), wk = 0.0029155 k( 19) = ( 0.0000000 0.0000000 0.1698113), wk = 0.0029155 k( 20) = ( 0.0000000 0.0000000 0.1792453), wk = 0.0029155 k( 21) = ( 0.0000000 0.0000000 0.1886793), wk = 0.0029155 k( 22) = ( 0.0000000 0.0000000 0.1981132), wk = 0.0029155 k( 23) = ( 0.0000000 0.0000000 0.2075472), wk = 0.0029155 k( 24) = ( 0.0000000 0.0000000 0.2169811), wk = 0.0029155 k( 25) = ( 0.0000000 0.0000000 0.2264151), wk = 0.0029155 k( 26) = ( 0.0000000 0.0000000 0.2358491), wk = 0.0029155 k( 27) = ( 0.0000000 0.0000000 0.2452830), wk = 0.0029155 k( 28) = ( 0.0000000 0.0000000 0.2547170), wk = 0.0029155 k( 29) = ( 0.0000000 0.0000000 0.2641509), wk = 0.0029155 k( 30) = ( 0.0000000 0.0000000 0.2735849), wk = 0.0029155 k( 31) = ( 0.0000000 0.0000000 0.2830189), wk = 0.0029155 k( 32) = ( 0.0000000 0.0000000 0.2924528), wk = 0.0029155 k( 33) = ( 0.0000000 0.0000000 0.3018868), wk = 0.0029155 k( 34) = ( 0.0000000 0.0000000 0.3113208), wk = 0.0029155 k( 35) = ( 0.0000000 0.0000000 0.3207547), wk = 0.0029155 k( 36) = ( 0.0000000 0.0000000 0.3301887), wk = 0.0029155 k( 37) = ( 0.0000000 0.0000000 0.3396226), wk = 0.0029155 k( 38) = ( 0.0000000 0.0000000 0.3490566), wk = 0.0029155 k( 39) = ( 0.0000000 0.0000000 0.3584906), wk = 0.0029155 k( 40) = ( 0.0000000 0.0000000 0.3679245), wk = 0.0029155 k( 41) = ( 0.0000000 0.0000000 0.3773585), wk = 0.0029155 k( 42) = ( 0.0000000 0.0000000 0.3867925), wk = 0.0029155 k( 43) = ( 0.0000000 0.0000000 0.3962264), wk = 0.0029155 k( 44) = ( 0.0000000 0.0000000 0.4056604), wk = 0.0029155 k( 45) = ( 0.0000000 0.0000000 0.4150943), wk = 0.0029155 k( 46) = ( 0.0000000 0.0000000 0.4245283), wk = 0.0029155 k( 47) = ( 0.0000000 0.0000000 0.4339623), wk = 0.0029155 k( 48) = ( 0.0000000 0.0000000 0.4433962), wk = 0.0029155 k( 49) = ( 0.0000000 0.0000000 0.4528302), wk = 0.0029155 k( 50) = ( 0.0000000 0.0000000 0.4622641), wk = 0.0029155 k( 51) = ( 0.0000000 0.0000000 0.4716981), wk = 0.0029155 k( 52) = ( 0.0000000 0.0000000 0.4811321), wk = 0.0029155 k( 53) = ( 0.0000000 0.0000000 0.4905660), wk = 0.0029155 k( 54) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029155 k( 55) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029155 k( 56) = ( -0.0086636 0.0086636 0.5000000), wk = 0.0029155 k( 57) = ( -0.0173273 0.0173273 0.5000000), wk = 0.0029155 k( 58) = ( -0.0259909 0.0259909 0.5000000), wk = 0.0029155 k( 59) = ( -0.0346546 0.0346546 0.5000000), wk = 0.0029155 k( 60) = ( -0.0433182 0.0433182 0.5000000), wk = 0.0029155 k( 61) = ( -0.0519818 0.0519818 0.5000000), wk = 0.0029155 k( 62) = ( -0.0606455 0.0606455 0.5000000), wk = 0.0029155 k( 63) = ( -0.0693091 0.0693091 0.5000000), wk = 0.0029155 k( 64) = ( -0.0779727 0.0779728 0.5000000), wk = 0.0029155 k( 65) = ( -0.0866364 0.0866364 0.5000000), wk = 0.0029155 k( 66) = ( -0.0866364 0.0866364 0.5000000), wk = 0.0029155 k( 67) = ( -0.0933035 0.0933036 0.4933328), wk = 0.0029155 k( 68) = ( -0.0999707 0.0999707 0.4866657), wk = 0.0029155 k( 69) = ( -0.1066379 0.1066379 0.4799985), wk = 0.0029155 k( 70) = ( -0.1133050 0.1133050 0.4733314), wk = 0.0029155 k( 71) = ( -0.1199722 0.1199722 0.4666642), wk = 0.0029155 k( 72) = ( -0.1266393 0.1266393 0.4599971), wk = 0.0029155 k( 73) = ( -0.1333065 0.1333065 0.4533299), wk = 0.0029155 k( 74) = ( -0.1399736 0.1399736 0.4466628), wk = 0.0029155 k( 75) = ( -0.1466408 0.1466408 0.4399956), wk = 0.0029155 k( 76) = ( -0.1533079 0.1533079 0.4333284), wk = 0.0029155 k( 77) = ( -0.1599751 0.1599751 0.4266613), wk = 0.0029155 k( 78) = ( -0.1666422 0.1666422 0.4199941), wk = 0.0029155 k( 79) = ( -0.1733094 0.1733094 0.4133270), wk = 0.0029155 k( 80) = ( -0.1799766 0.1799766 0.4066598), wk = 0.0029155 k( 81) = ( -0.1866437 0.1866437 0.3999927), wk = 0.0029155 k( 82) = ( -0.1933109 0.1933109 0.3933255), wk = 0.0029155 k( 83) = ( -0.1999780 0.1999780 0.3866584), wk = 0.0029155 k( 84) = ( -0.2066452 0.2066452 0.3799912), wk = 0.0029155 k( 85) = ( -0.2133123 0.2133123 0.3733241), wk = 0.0029155 k( 86) = ( -0.2199795 0.2199795 0.3666569), wk = 0.0029155 k( 87) = ( -0.2266467 0.2266467 0.3599897), wk = 0.0029155 k( 88) = ( -0.2333138 0.2333138 0.3533226), wk = 0.0029155 k( 89) = ( -0.2399810 0.2399810 0.3466554), wk = 0.0029155 k( 90) = ( -0.2466481 0.2466481 0.3399883), wk = 0.0029155 k( 91) = ( -0.2533153 0.2533153 0.3333211), wk = 0.0029155 k( 92) = ( -0.2599824 0.2599824 0.3266540), wk = 0.0029155 k( 93) = ( -0.2666496 0.2666496 0.3199868), wk = 0.0029155 k( 94) = ( -0.2733167 0.2733167 0.3133197), wk = 0.0029155 k( 95) = ( -0.2799839 0.2799839 0.3066525), wk = 0.0029155 k( 96) = ( -0.2866510 0.2866510 0.2999853), wk = 0.0029155 k( 97) = ( -0.2933182 0.2933182 0.2933182), wk = 0.0029155 k( 98) = ( -0.2933182 0.2933182 0.2933182), wk = 0.0029155 k( 99) = ( -0.2866519 0.2866519 0.2866519), wk = 0.0029155 k( 100) = ( -0.2799856 0.2799856 0.2799856), wk = 0.0029155 k( 101) = ( -0.2733192 0.2733192 0.2733192), wk = 0.0029155 k( 102) = ( -0.2666529 0.2666529 0.2666529), wk = 0.0029155 k( 103) = ( -0.2599866 0.2599866 0.2599866), wk = 0.0029155 k( 104) = ( -0.2533203 0.2533203 0.2533203), wk = 0.0029155 k( 105) = ( -0.2466539 0.2466539 0.2466539), wk = 0.0029155 k( 106) = ( -0.2399876 0.2399876 0.2399876), wk = 0.0029155 k( 107) = ( -0.2333213 0.2333213 0.2333213), wk = 0.0029155 k( 108) = ( -0.2266550 0.2266550 0.2266550), wk = 0.0029155 k( 109) = ( -0.2199887 0.2199887 0.2199886), wk = 0.0029155 k( 110) = ( -0.2133223 0.2133223 0.2133223), wk = 0.0029155 k( 111) = ( -0.2066560 0.2066560 0.2066560), wk = 0.0029155 k( 112) = ( -0.1999897 0.1999897 0.1999897), wk = 0.0029155 k( 113) = ( -0.1933234 0.1933234 0.1933234), wk = 0.0029155 k( 114) = ( -0.1866570 0.1866570 0.1866570), wk = 0.0029155 k( 115) = ( -0.1799907 0.1799907 0.1799907), wk = 0.0029155 k( 116) = ( -0.1733244 0.1733244 0.1733244), wk = 0.0029155 k( 117) = ( -0.1666581 0.1666581 0.1666581), wk = 0.0029155 k( 118) = ( -0.1599917 0.1599917 0.1599917), wk = 0.0029155 k( 119) = ( -0.1533254 0.1533254 0.1533254), wk = 0.0029155 k( 120) = ( -0.1466591 0.1466591 0.1466591), wk = 0.0029155 k( 121) = ( -0.1399928 0.1399928 0.1399928), wk = 0.0029155 k( 122) = ( -0.1333265 0.1333265 0.1333265), wk = 0.0029155 k( 123) = ( -0.1266601 0.1266601 0.1266601), wk = 0.0029155 k( 124) = ( -0.1199938 0.1199938 0.1199938), wk = 0.0029155 k( 125) = ( -0.1133275 0.1133275 0.1133275), wk = 0.0029155 k( 126) = ( -0.1066612 0.1066612 0.1066612), wk = 0.0029155 k( 127) = ( -0.0999948 0.0999948 0.0999948), wk = 0.0029155 k( 128) = ( -0.0933285 0.0933285 0.0933285), wk = 0.0029155 k( 129) = ( -0.0866622 0.0866622 0.0866622), wk = 0.0029155 k( 130) = ( -0.0799959 0.0799959 0.0799959), wk = 0.0029155 k( 131) = ( -0.0733295 0.0733296 0.0733295), wk = 0.0029155 k( 132) = ( -0.0666632 0.0666632 0.0666632), wk = 0.0029155 k( 133) = ( -0.0599969 0.0599969 0.0599969), wk = 0.0029155 k( 134) = ( -0.0533306 0.0533306 0.0533306), wk = 0.0029155 k( 135) = ( -0.0466643 0.0466643 0.0466643), wk = 0.0029155 k( 136) = ( -0.0399979 0.0399979 0.0399979), wk = 0.0029155 k( 137) = ( -0.0333316 0.0333316 0.0333316), wk = 0.0029155 k( 138) = ( -0.0266653 0.0266653 0.0266653), wk = 0.0029155 k( 139) = ( -0.0199990 0.0199990 0.0199990), wk = 0.0029155 k( 140) = ( -0.0133326 0.0133327 0.0133326), wk = 0.0029155 k( 141) = ( -0.0066663 0.0066663 0.0066663), wk = 0.0029155 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029155 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029155 k( 144) = ( 0.0161290 0.0161290 -0.0161290), wk = 0.0029155 k( 145) = ( 0.0322581 0.0322581 -0.0322581), wk = 0.0029155 k( 146) = ( 0.0483871 0.0483871 -0.0483871), wk = 0.0029155 k( 147) = ( 0.0645161 0.0645161 -0.0645161), wk = 0.0029155 k( 148) = ( 0.0806452 0.0806452 -0.0806452), wk = 0.0029155 k( 149) = ( 0.0967742 0.0967742 -0.0967742), wk = 0.0029155 k( 150) = ( 0.1129032 0.1129032 -0.1129032), wk = 0.0029155 k( 151) = ( 0.1290323 0.1290323 -0.1290323), wk = 0.0029155 k( 152) = ( 0.1451613 0.1451613 -0.1451613), wk = 0.0029155 k( 153) = ( 0.1612903 0.1612903 -0.1612903), wk = 0.0029155 k( 154) = ( 0.1774194 0.1774194 -0.1774194), wk = 0.0029155 k( 155) = ( 0.1935484 0.1935484 -0.1935484), wk = 0.0029155 k( 156) = ( 0.2096774 0.2096774 -0.2096774), wk = 0.0029155 k( 157) = ( 0.2258064 0.2258064 -0.2258064), wk = 0.0029155 k( 158) = ( 0.2419355 0.2419355 -0.2419355), wk = 0.0029155 k( 159) = ( 0.2580645 0.2580645 -0.2580645), wk = 0.0029155 k( 160) = ( 0.2741936 0.2741936 -0.2741936), wk = 0.0029155 k( 161) = ( 0.2903226 0.2903226 -0.2903226), wk = 0.0029155 k( 162) = ( 0.3064516 0.3064516 -0.3064516), wk = 0.0029155 k( 163) = ( 0.3225807 0.3225807 -0.3225807), wk = 0.0029155 k( 164) = ( 0.3387097 0.3387097 -0.3387097), wk = 0.0029155 k( 165) = ( 0.3548387 0.3548387 -0.3548387), wk = 0.0029155 k( 166) = ( 0.3709677 0.3709677 -0.3709677), wk = 0.0029155 k( 167) = ( 0.3870968 0.3870968 -0.3870968), wk = 0.0029155 k( 168) = ( 0.4032258 0.4032258 -0.4032258), wk = 0.0029155 k( 169) = ( 0.4193548 0.4193548 -0.4193548), wk = 0.0029155 k( 170) = ( 0.4354839 0.4354839 -0.4354839), wk = 0.0029155 k( 171) = ( 0.4516129 0.4516129 -0.4516129), wk = 0.0029155 k( 172) = ( 0.4677419 0.4677419 -0.4677419), wk = 0.0029155 k( 173) = ( 0.4838710 0.4838710 -0.4838710), wk = 0.0029155 k( 174) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029155 k( 175) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029155 k( 176) = ( 0.4933328 0.5066672 -0.4933328), wk = 0.0029155 k( 177) = ( 0.4866657 0.5133343 -0.4866657), wk = 0.0029155 k( 178) = ( 0.4799985 0.5200015 -0.4799985), wk = 0.0029155 k( 179) = ( 0.4733314 0.5266686 -0.4733314), wk = 0.0029155 k( 180) = ( 0.4666642 0.5333358 -0.4666642), wk = 0.0029155 k( 181) = ( 0.4599971 0.5400029 -0.4599971), wk = 0.0029155 k( 182) = ( 0.4533299 0.5466701 -0.4533299), wk = 0.0029155 k( 183) = ( 0.4466628 0.5533372 -0.4466628), wk = 0.0029155 k( 184) = ( 0.4399956 0.5600044 -0.4399956), wk = 0.0029155 k( 185) = ( 0.4333284 0.5666716 -0.4333284), wk = 0.0029155 k( 186) = ( 0.4266613 0.5733387 -0.4266613), wk = 0.0029155 k( 187) = ( 0.4199941 0.5800059 -0.4199941), wk = 0.0029155 k( 188) = ( 0.4133270 0.5866730 -0.4133270), wk = 0.0029155 k( 189) = ( 0.4066598 0.5933402 -0.4066598), wk = 0.0029155 k( 190) = ( 0.3999927 0.6000073 -0.3999927), wk = 0.0029155 k( 191) = ( 0.3933255 0.6066745 -0.3933255), wk = 0.0029155 k( 192) = ( 0.3866584 0.6133416 -0.3866584), wk = 0.0029155 k( 193) = ( 0.3799912 0.6200088 -0.3799912), wk = 0.0029155 k( 194) = ( 0.3733241 0.6266759 -0.3733241), wk = 0.0029155 k( 195) = ( 0.3666569 0.6333431 -0.3666569), wk = 0.0029155 k( 196) = ( 0.3599897 0.6400103 -0.3599898), wk = 0.0029155 k( 197) = ( 0.3533226 0.6466774 -0.3533226), wk = 0.0029155 k( 198) = ( 0.3466554 0.6533446 -0.3466554), wk = 0.0029155 k( 199) = ( 0.3399883 0.6600117 -0.3399883), wk = 0.0029155 k( 200) = ( 0.3333211 0.6666789 -0.3333211), wk = 0.0029155 k( 201) = ( 0.3266540 0.6733460 -0.3266540), wk = 0.0029155 k( 202) = ( 0.3199868 0.6800132 -0.3199868), wk = 0.0029155 k( 203) = ( 0.3133197 0.6866803 -0.3133197), wk = 0.0029155 k( 204) = ( 0.3066525 0.6933475 -0.3066525), wk = 0.0029155 k( 205) = ( 0.2999853 0.7000147 -0.2999854), wk = 0.0029155 k( 206) = ( 0.2933182 0.7066818 -0.2933182), wk = 0.0029155 k( 207) = ( 0.2933182 0.7066818 -0.2933182), wk = 0.0029155 k( 208) = ( 0.2760642 0.6945240 -0.2760642), wk = 0.0029155 k( 209) = ( 0.2588102 0.6823663 -0.2588102), wk = 0.0029155 k( 210) = ( 0.2415562 0.6702085 -0.2415562), wk = 0.0029155 k( 211) = ( 0.2243022 0.6580508 -0.2243022), wk = 0.0029155 k( 212) = ( 0.2070481 0.6458930 -0.2070481), wk = 0.0029155 k( 213) = ( 0.1897941 0.6337353 -0.1897941), wk = 0.0029155 k( 214) = ( 0.1725401 0.6215775 -0.1725401), wk = 0.0029155 k( 215) = ( 0.1552861 0.6094198 -0.1552861), wk = 0.0029155 k( 216) = ( 0.1380321 0.5972620 -0.1380321), wk = 0.0029155 k( 217) = ( 0.1207781 0.5851043 -0.1207781), wk = 0.0029155 k( 218) = ( 0.1035241 0.5729465 -0.1035241), wk = 0.0029155 k( 219) = ( 0.0862701 0.5607888 -0.0862701), wk = 0.0029155 k( 220) = ( 0.0690160 0.5486310 -0.0690161), wk = 0.0029155 k( 221) = ( 0.0517620 0.5364733 -0.0517620), wk = 0.0029155 k( 222) = ( 0.0345080 0.5243155 -0.0345080), wk = 0.0029155 k( 223) = ( 0.0172540 0.5121578 -0.0172540), wk = 0.0029155 k( 224) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029155 k( 225) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029155 k( 226) = ( 0.0067568 0.4932432 0.0067568), wk = 0.0029155 k( 227) = ( 0.0135135 0.4864865 0.0135135), wk = 0.0029155 k( 228) = ( 0.0202703 0.4797297 0.0202703), wk = 0.0029155 k( 229) = ( 0.0270270 0.4729730 0.0270270), wk = 0.0029155 k( 230) = ( 0.0337838 0.4662162 0.0337838), wk = 0.0029155 k( 231) = ( 0.0405405 0.4594595 0.0405405), wk = 0.0029155 k( 232) = ( 0.0472973 0.4527027 0.0472973), wk = 0.0029155 k( 233) = ( 0.0540540 0.4459459 0.0540541), wk = 0.0029155 k( 234) = ( 0.0608108 0.4391892 0.0608108), wk = 0.0029155 k( 235) = ( 0.0675676 0.4324324 0.0675676), wk = 0.0029155 k( 236) = ( 0.0743243 0.4256757 0.0743243), wk = 0.0029155 k( 237) = ( 0.0810811 0.4189189 0.0810811), wk = 0.0029155 k( 238) = ( 0.0878378 0.4121622 0.0878378), wk = 0.0029155 k( 239) = ( 0.0945946 0.4054054 0.0945946), wk = 0.0029155 k( 240) = ( 0.1013514 0.3986487 0.1013514), wk = 0.0029155 k( 241) = ( 0.1081081 0.3918919 0.1081081), wk = 0.0029155 k( 242) = ( 0.1148649 0.3851351 0.1148649), wk = 0.0029155 k( 243) = ( 0.1216216 0.3783784 0.1216216), wk = 0.0029155 k( 244) = ( 0.1283784 0.3716216 0.1283784), wk = 0.0029155 k( 245) = ( 0.1351351 0.3648649 0.1351351), wk = 0.0029155 k( 246) = ( 0.1418919 0.3581081 0.1418919), wk = 0.0029155 k( 247) = ( 0.1486486 0.3513514 0.1486486), wk = 0.0029155 k( 248) = ( 0.1554054 0.3445946 0.1554054), wk = 0.0029155 k( 249) = ( 0.1621622 0.3378378 0.1621622), wk = 0.0029155 k( 250) = ( 0.1689189 0.3310811 0.1689189), wk = 0.0029155 k( 251) = ( 0.1756757 0.3243243 0.1756757), wk = 0.0029155 k( 252) = ( 0.1824324 0.3175676 0.1824324), wk = 0.0029155 k( 253) = ( 0.1891892 0.3108108 0.1891892), wk = 0.0029155 k( 254) = ( 0.1959460 0.3040541 0.1959460), wk = 0.0029155 k( 255) = ( 0.2027027 0.2972973 0.2027027), wk = 0.0029155 k( 256) = ( 0.2094595 0.2905405 0.2094595), wk = 0.0029155 k( 257) = ( 0.2162162 0.2837838 0.2162162), wk = 0.0029155 k( 258) = ( 0.2229730 0.2770270 0.2229730), wk = 0.0029155 k( 259) = ( 0.2297297 0.2702703 0.2297297), wk = 0.0029155 k( 260) = ( 0.2364865 0.2635135 0.2364865), wk = 0.0029155 k( 261) = ( 0.2432432 0.2567568 0.2432432), wk = 0.0029155 k( 262) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029155 k( 263) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029155 k( 264) = ( 0.2638889 0.2638889 0.2312980), wk = 0.0029155 k( 265) = ( 0.2777778 0.2777778 0.2125960), wk = 0.0029155 k( 266) = ( 0.2916667 0.2916667 0.1938939), wk = 0.0029155 k( 267) = ( 0.3055556 0.3055556 0.1751919), wk = 0.0029155 k( 268) = ( 0.3194444 0.3194444 0.1564899), wk = 0.0029155 k( 269) = ( 0.3333333 0.3333333 0.1377879), wk = 0.0029155 k( 270) = ( 0.3472222 0.3472222 0.1190858), wk = 0.0029155 k( 271) = ( 0.3611111 0.3611111 0.1003838), wk = 0.0029155 k( 272) = ( 0.3750000 0.3750000 0.0816818), wk = 0.0029155 k( 273) = ( 0.3888889 0.3888889 0.0629798), wk = 0.0029155 k( 274) = ( 0.4027778 0.4027778 0.0442778), wk = 0.0029155 k( 275) = ( 0.4166667 0.4166667 0.0255757), wk = 0.0029155 k( 276) = ( 0.4305556 0.4305556 0.0068737), wk = 0.0029155 k( 277) = ( 0.4444444 0.4444444 -0.0118283), wk = 0.0029155 k( 278) = ( 0.4583333 0.4583333 -0.0305303), wk = 0.0029155 k( 279) = ( 0.4722222 0.4722222 -0.0492324), wk = 0.0029155 k( 280) = ( 0.4861111 0.4861111 -0.0679344), wk = 0.0029155 k( 281) = ( 0.5000000 0.5000000 -0.0866364), wk = 0.0029155 k( 282) = ( 0.5000000 0.5000000 -0.0866364), wk = 0.0029155 k( 283) = ( 0.5000000 0.5000000 -0.0960310), wk = 0.0029155 k( 284) = ( 0.5000000 0.5000000 -0.1054256), wk = 0.0029155 k( 285) = ( 0.5000000 0.5000000 -0.1148203), wk = 0.0029155 k( 286) = ( 0.5000000 0.5000000 -0.1242149), wk = 0.0029155 k( 287) = ( 0.5000000 0.5000000 -0.1336095), wk = 0.0029155 k( 288) = ( 0.5000000 0.5000000 -0.1430042), wk = 0.0029155 k( 289) = ( 0.5000000 0.5000000 -0.1523988), wk = 0.0029155 k( 290) = ( 0.5000000 0.5000000 -0.1617934), wk = 0.0029155 k( 291) = ( 0.5000000 0.5000000 -0.1711880), wk = 0.0029155 k( 292) = ( 0.5000000 0.5000000 -0.1805827), wk = 0.0029155 k( 293) = ( 0.5000000 0.5000000 -0.1899773), wk = 0.0029155 k( 294) = ( 0.5000000 0.5000000 -0.1993719), wk = 0.0029155 k( 295) = ( 0.5000000 0.5000000 -0.2087665), wk = 0.0029155 k( 296) = ( 0.5000000 0.5000000 -0.2181612), wk = 0.0029155 k( 297) = ( 0.5000000 0.5000000 -0.2275558), wk = 0.0029155 k( 298) = ( 0.5000000 0.5000000 -0.2369504), wk = 0.0029155 k( 299) = ( 0.5000000 0.5000000 -0.2463451), wk = 0.0029155 k( 300) = ( 0.5000000 0.5000000 -0.2557397), wk = 0.0029155 k( 301) = ( 0.5000000 0.5000000 -0.2651343), wk = 0.0029155 k( 302) = ( 0.5000000 0.5000000 -0.2745289), wk = 0.0029155 k( 303) = ( 0.5000000 0.5000000 -0.2839236), wk = 0.0029155 k( 304) = ( 0.5000000 0.5000000 -0.2933182), wk = 0.0029155 k( 305) = ( 0.5000000 0.5000000 -0.3027128), wk = 0.0029155 k( 306) = ( 0.5000000 0.5000000 -0.3121075), wk = 0.0029155 k( 307) = ( 0.5000000 0.5000000 -0.3215021), wk = 0.0029155 k( 308) = ( 0.5000000 0.5000000 -0.3308967), wk = 0.0029155 k( 309) = ( 0.5000000 0.5000000 -0.3402913), wk = 0.0029155 k( 310) = ( 0.5000000 0.5000000 -0.3496860), wk = 0.0029155 k( 311) = ( 0.5000000 0.5000000 -0.3590806), wk = 0.0029155 k( 312) = ( 0.5000000 0.5000000 -0.3684752), wk = 0.0029155 k( 313) = ( 0.5000000 0.5000000 -0.3778698), wk = 0.0029155 k( 314) = ( 0.5000000 0.5000000 -0.3872645), wk = 0.0029155 k( 315) = ( 0.5000000 0.5000000 -0.3966591), wk = 0.0029155 k( 316) = ( 0.5000000 0.5000000 -0.4060537), wk = 0.0029155 k( 317) = ( 0.5000000 0.5000000 -0.4154484), wk = 0.0029155 k( 318) = ( 0.5000000 0.5000000 -0.4248430), wk = 0.0029155 k( 319) = ( 0.5000000 0.5000000 -0.4342376), wk = 0.0029155 k( 320) = ( 0.5000000 0.5000000 -0.4436322), wk = 0.0029155 k( 321) = ( 0.5000000 0.5000000 -0.4530269), wk = 0.0029155 k( 322) = ( 0.5000000 0.5000000 -0.4624215), wk = 0.0029155 k( 323) = ( 0.5000000 0.5000000 -0.4718161), wk = 0.0029155 k( 324) = ( 0.5000000 0.5000000 -0.4812108), wk = 0.0029155 k( 325) = ( 0.5000000 0.5000000 -0.4906054), wk = 0.0029155 k( 326) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029155 k( 327) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029155 k( 328) = ( 0.0156250 0.0156250 0.4843750), wk = 0.0029155 k( 329) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0029155 k( 330) = ( 0.0468750 0.0468750 0.4531250), wk = 0.0029155 k( 331) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0029155 k( 332) = ( 0.0781250 0.0781250 0.4218750), wk = 0.0029155 k( 333) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0029155 k( 334) = ( 0.1093750 0.1093750 0.3906250), wk = 0.0029155 k( 335) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0029155 k( 336) = ( 0.1406250 0.1406250 0.3593750), wk = 0.0029155 k( 337) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0029155 k( 338) = ( 0.1718750 0.1718750 0.3281250), wk = 0.0029155 k( 339) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0029155 k( 340) = ( 0.2031250 0.2031250 0.2968750), wk = 0.0029155 k( 341) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0029155 k( 342) = ( 0.2343750 0.2343750 0.2656250), wk = 0.0029155 k( 343) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029155 Dense grid: 45467 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 26625 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 200, 48) NL pseudopotentials 0.20 Mb ( 100, 130) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1263) G-vector shells 0.00 Mb ( 582) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.59 Mb ( 200, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.19 Mb ( 130, 2, 48) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./SrxCuGex2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 4.1 secs Computing kpt #: 4 total cpu time spent up to now is 4.6 secs Computing kpt #: 5 total cpu time spent up to now is 5.0 secs Computing kpt #: 6 total cpu time spent up to now is 5.5 secs Computing kpt #: 7 total cpu time spent up to now is 5.9 secs Computing kpt #: 8 total cpu time spent up to now is 6.3 secs Computing kpt #: 9 total cpu time spent up to now is 6.8 secs Computing kpt #: 10 total cpu time spent up to now is 7.2 secs Computing kpt #: 11 total cpu time spent up to now is 7.7 secs Computing kpt #: 12 total cpu time spent up to now is 8.1 secs Computing kpt #: 13 total cpu time spent up to now is 8.5 secs Computing kpt #: 14 total cpu time spent up to now is 9.0 secs Computing kpt #: 15 total cpu time spent up to now is 9.4 secs Computing kpt #: 16 total cpu time spent up to now is 9.9 secs Computing kpt #: 17 total cpu time spent up to now is 10.3 secs Computing kpt #: 18 total cpu time spent up to now is 10.7 secs Computing kpt #: 19 total cpu time spent up to now is 11.2 secs Computing kpt #: 20 total cpu time spent up to now is 11.7 secs Computing kpt #: 21 total cpu time spent up to now is 12.1 secs Computing kpt #: 22 total cpu time spent up to now is 12.6 secs Computing kpt #: 23 total cpu time spent up to now is 13.1 secs Computing kpt #: 24 total cpu time spent up to now is 13.6 secs Computing kpt #: 25 total cpu time spent up to now is 14.1 secs Computing kpt #: 26 total cpu time spent up to now is 14.6 secs Computing kpt #: 27 total cpu time spent up to now is 15.1 secs Computing kpt #: 28 total cpu time spent up to now is 15.5 secs Computing kpt #: 29 total cpu time spent up to now is 16.0 secs Computing kpt #: 30 total cpu time spent up to now is 16.5 secs Computing kpt #: 31 total cpu time spent up to now is 17.0 secs Computing kpt #: 32 total cpu time spent up to now is 17.4 secs Computing kpt #: 33 total cpu time spent up to now is 17.9 secs Computing kpt #: 34 total cpu time spent up to now is 18.3 secs Computing kpt #: 35 total cpu time spent up to now is 18.7 secs Computing kpt #: 36 total cpu time spent up to now is 19.1 secs Computing kpt #: 37 total cpu time spent up to now is 19.5 secs Computing kpt #: 38 total cpu time spent up to now is 20.0 secs Computing kpt #: 39 total cpu time spent up to now is 20.4 secs Computing kpt #: 40 total cpu time spent up to now is 20.8 secs Computing kpt #: 41 total cpu time spent up to now is 21.2 secs Computing kpt #: 42 total cpu time spent up to now is 21.6 secs Computing kpt #: 43 total cpu time spent up to now is 22.1 secs Computing kpt #: 44 total cpu time spent up to now is 22.5 secs Computing kpt #: 45 total cpu time spent up to now is 22.9 secs Computing kpt #: 46 total cpu time spent up to now is 23.4 secs Computing kpt #: 47 total cpu time spent up to now is 23.8 secs Computing kpt #: 48 total cpu time spent up to now is 24.2 secs Computing kpt #: 49 total cpu time spent up to now is 24.7 secs Computing kpt #: 50 total cpu time spent up to now is 25.1 secs Computing kpt #: 51 total cpu time spent up to now is 25.6 secs Computing kpt #: 52 total cpu time spent up to now is 26.0 secs Computing kpt #: 53 total cpu time spent up to now is 26.4 secs Computing kpt #: 54 total cpu time spent up to now is 26.8 secs Computing kpt #: 55 total cpu time spent up to now is 27.3 secs Computing kpt #: 56 total cpu time spent up to now is 27.7 secs Computing kpt #: 57 total cpu time spent up to now is 28.1 secs Computing kpt #: 58 total cpu time spent up to now is 28.6 secs Computing kpt #: 59 total cpu time spent up to now is 29.0 secs Computing kpt #: 60 total cpu time spent up to now is 29.5 secs Computing kpt #: 61 total cpu time spent up to now is 29.9 secs Computing kpt #: 62 total cpu time spent up to now is 30.3 secs Computing kpt #: 63 total cpu time spent up to now is 30.8 secs Computing kpt #: 64 total cpu time spent up to now is 31.2 secs Computing kpt #: 65 total cpu time spent up to now is 31.7 secs Computing kpt #: 66 total cpu time spent up to now is 32.1 secs Computing kpt #: 67 total cpu time spent up to now is 32.5 secs Computing kpt #: 68 total cpu time spent up to now is 33.0 secs Computing kpt #: 69 total cpu time spent up to now is 33.4 secs Computing kpt #: 70 total cpu time spent up to now is 33.9 secs Computing kpt #: 71 total cpu time spent up to now is 34.4 secs Computing kpt #: 72 total cpu time spent up to now is 34.8 secs Computing kpt #: 73 total cpu time spent up to now is 35.3 secs Computing kpt #: 74 total cpu time spent up to now is 35.7 secs Computing kpt #: 75 total cpu time spent up to now is 36.1 secs Computing kpt #: 76 total cpu time spent up to now is 36.6 secs Computing kpt #: 77 total cpu time spent up to now is 37.0 secs Computing kpt #: 78 total cpu time spent up to now is 37.5 secs Computing kpt #: 79 total cpu time spent up to now is 37.9 secs Computing kpt #: 80 total cpu time spent up to now is 38.4 secs Computing kpt #: 81 total cpu time spent up to now is 38.8 secs Computing kpt #: 82 total cpu time spent up to now is 39.3 secs Computing kpt #: 83 total cpu time spent up to now is 39.7 secs Computing kpt #: 84 total cpu time spent up to now is 40.2 secs Computing kpt #: 85 total cpu time spent up to now is 40.6 secs Computing kpt #: 86 total cpu time spent up to now is 41.1 secs Computing kpt #: 87 total cpu time spent up to now is 41.6 secs Computing kpt #: 88 total cpu time spent up to now is 42.0 secs Computing kpt #: 89 total cpu time spent up to now is 42.5 secs Computing kpt #: 90 total cpu time spent up to now is 43.0 secs Computing kpt #: 91 total cpu time spent up to now is 43.5 secs Computing kpt #: 92 total cpu time spent up to now is 44.0 secs Computing kpt #: 93 total cpu time spent up to now is 44.4 secs Computing kpt #: 94 total cpu time spent up to now is 45.0 secs Computing kpt #: 95 total cpu time spent up to now is 45.4 secs Computing kpt #: 96 total cpu time spent up to now is 45.9 secs Computing kpt #: 97 total cpu time spent up to now is 46.4 secs Computing kpt #: 98 total cpu time spent up to now is 46.9 secs Computing kpt #: 99 total cpu time spent up to now is 47.4 secs Computing kpt #: 100 total cpu time spent up to now is 47.8 secs Computing kpt #: 101 total cpu time spent up to now is 48.3 secs Computing kpt #: 102 total cpu time spent up to now is 48.8 secs Computing kpt #: 103 total cpu time spent up to now is 49.2 secs Computing kpt #: 104 total cpu time spent up to now is 49.7 secs Computing kpt #: 105 total cpu time spent up to now is 50.2 secs Computing kpt #: 106 total cpu time spent up to now is 50.6 secs Computing kpt #: 107 total cpu time spent up to now is 51.1 secs Computing kpt #: 108 total cpu time spent up to now is 51.6 secs Computing kpt #: 109 total cpu time spent up to now is 52.1 secs Computing kpt #: 110 total cpu time spent up to now is 52.5 secs Computing kpt #: 111 total cpu time spent up to now is 53.0 secs Computing kpt #: 112 total cpu time spent up to now is 53.5 secs Computing kpt #: 113 total cpu time spent up to now is 54.0 secs Computing kpt #: 114 total cpu time spent up to now is 54.4 secs Computing kpt #: 115 total cpu time spent up to now is 54.9 secs Computing kpt #: 116 total cpu time spent up to now is 55.4 secs Computing kpt #: 117 total cpu time spent up to now is 55.9 secs Computing kpt #: 118 total cpu time spent up to now is 56.4 secs Computing kpt #: 119 total cpu time spent up to now is 56.9 secs Computing kpt #: 120 total cpu time spent up to now is 57.5 secs Computing kpt #: 121 total cpu time spent up to now is 58.0 secs Computing kpt #: 122 total cpu time spent up to now is 58.5 secs Computing kpt #: 123 total cpu time spent up to now is 59.0 secs Computing kpt #: 124 total cpu time spent up to now is 59.4 secs Computing kpt #: 125 total cpu time spent up to now is 59.8 secs Computing kpt #: 126 total cpu time spent up to now is 60.3 secs Computing kpt #: 127 total cpu time spent up to now is 60.7 secs Computing kpt #: 128 total cpu time spent up to now is 61.1 secs Computing kpt #: 129 total cpu time spent up to now is 61.5 secs Computing kpt #: 130 total cpu time spent up to now is 62.0 secs Computing kpt #: 131 total cpu time spent up to now is 62.4 secs Computing kpt #: 132 total cpu time spent up to now is 62.8 secs Computing kpt #: 133 total cpu time spent up to now is 63.3 secs Computing kpt #: 134 total cpu time spent up to now is 63.7 secs Computing kpt #: 135 total cpu time spent up to now is 64.1 secs Computing kpt #: 136 total cpu time spent up to now is 64.6 secs Computing kpt #: 137 total cpu time spent up to now is 65.0 secs Computing kpt #: 138 total cpu time spent up to now is 65.4 secs Computing kpt #: 139 total cpu time spent up to now is 65.9 secs Computing kpt #: 140 total cpu time spent up to now is 66.3 secs Computing kpt #: 141 total cpu time spent up to now is 66.8 secs Computing kpt #: 142 total cpu time spent up to now is 67.2 secs Computing kpt #: 143 total cpu time spent up to now is 67.7 secs Computing kpt #: 144 total cpu time spent up to now is 68.1 secs Computing kpt #: 145 total cpu time spent up to now is 68.6 secs Computing kpt #: 146 total cpu time spent up to now is 69.0 secs Computing kpt #: 147 total cpu time spent up to now is 69.5 secs Computing kpt #: 148 total cpu time spent up to now is 69.9 secs Computing kpt #: 149 total cpu time spent up to now is 70.3 secs Computing kpt #: 150 total cpu time spent up to now is 70.7 secs Computing kpt #: 151 total cpu time spent up to now is 71.2 secs Computing kpt #: 152 total cpu time spent up to now is 71.6 secs Computing kpt #: 153 total cpu time spent up to now is 72.1 secs Computing kpt #: 154 total cpu time spent up to now is 72.5 secs Computing kpt #: 155 total cpu time spent up to now is 72.9 secs Computing kpt #: 156 total cpu time spent up to now is 73.4 secs Computing kpt #: 157 total cpu time spent up to now is 73.8 secs Computing kpt #: 158 total cpu time spent up to now is 74.3 secs Computing kpt #: 159 total cpu time spent up to now is 74.8 secs Computing kpt #: 160 total cpu time spent up to now is 75.3 secs Computing kpt #: 161 total cpu time spent up to now is 75.7 secs Computing kpt #: 162 total cpu time spent up to now is 76.2 secs Computing kpt #: 163 total cpu time spent up to now is 76.7 secs Computing kpt #: 164 total cpu time spent up to now is 77.2 secs Computing kpt #: 165 total cpu time spent up to now is 77.6 secs Computing kpt #: 166 total cpu time spent up to now is 78.1 secs Computing kpt #: 167 total cpu time spent up to now is 78.5 secs Computing kpt #: 168 total cpu time spent up to now is 78.9 secs Computing kpt #: 169 total cpu time spent up to now is 79.4 secs Computing kpt #: 170 total cpu time spent up to now is 79.8 secs Computing kpt #: 171 total cpu time spent up to now is 80.2 secs Computing kpt #: 172 total cpu time spent up to now is 80.7 secs Computing kpt #: 173 total cpu time spent up to now is 81.1 secs Computing kpt #: 174 total cpu time spent up to now is 81.5 secs Computing kpt #: 175 total cpu time spent up to now is 81.9 secs Computing kpt #: 176 total cpu time spent up to now is 82.3 secs Computing kpt #: 177 total cpu time spent up to now is 82.8 secs Computing kpt #: 178 total cpu time spent up to now is 83.2 secs Computing kpt #: 179 total cpu time spent up to now is 83.6 secs Computing kpt #: 180 total cpu time spent up to now is 84.1 secs Computing kpt #: 181 total cpu time spent up to now is 84.5 secs Computing kpt #: 182 total cpu time spent up to now is 85.0 secs Computing kpt #: 183 total cpu time spent up to now is 85.4 secs Computing kpt #: 184 total cpu time spent up to now is 85.9 secs Computing kpt #: 185 total cpu time spent up to now is 86.3 secs Computing kpt #: 186 total cpu time spent up to now is 86.8 secs Computing kpt #: 187 total cpu time spent up to now is 87.3 secs Computing kpt #: 188 total cpu time spent up to now is 87.7 secs Computing kpt #: 189 total cpu time spent up to now is 88.2 secs Computing kpt #: 190 total cpu time spent up to now is 88.7 secs Computing kpt #: 191 total cpu time spent up to now is 89.2 secs Computing kpt #: 192 total cpu time spent up to now is 89.8 secs Computing kpt #: 193 total cpu time spent up to now is 90.3 secs Computing kpt #: 194 total cpu time spent up to now is 90.7 secs Computing kpt #: 195 total cpu time spent up to now is 91.2 secs Computing kpt #: 196 total cpu time spent up to now is 91.7 secs Computing kpt #: 197 total cpu time spent up to now is 92.2 secs Computing kpt #: 198 total cpu time spent up to now is 92.7 secs Computing kpt #: 199 total cpu time spent up to now is 93.2 secs Computing kpt #: 200 total cpu time spent up to now is 93.7 secs Computing kpt #: 201 total cpu time spent up to now is 94.2 secs Computing kpt #: 202 total cpu time spent up to now is 94.7 secs Computing kpt #: 203 total cpu time spent up to now is 95.2 secs Computing kpt #: 204 total cpu time spent up to now is 95.7 secs Computing kpt #: 205 total cpu time spent up to now is 96.2 secs Computing kpt #: 206 total cpu time spent up to now is 96.7 secs Computing kpt #: 207 total cpu time spent up to now is 97.1 secs Computing kpt #: 208 total cpu time spent up to now is 97.6 secs Computing kpt #: 209 total cpu time spent up to now is 98.1 secs Computing kpt #: 210 total cpu time spent up to now is 98.6 secs Computing kpt #: 211 total cpu time spent up to now is 99.0 secs Computing kpt #: 212 total cpu time spent up to now is 99.5 secs Computing kpt #: 213 total cpu time spent up to now is 99.9 secs Computing kpt #: 214 total cpu time spent up to now is 100.4 secs Computing kpt #: 215 total cpu time spent up to now is 100.8 secs Computing kpt #: 216 total cpu time spent up to now is 101.3 secs Computing kpt #: 217 total cpu time spent up to now is 101.7 secs Computing kpt #: 218 total cpu time spent up to now is 102.2 secs Computing kpt #: 219 total cpu time spent up to now is 102.6 secs Computing kpt #: 220 total cpu time spent up to now is 103.1 secs Computing kpt #: 221 total cpu time spent up to now is 103.5 secs Computing kpt #: 222 total cpu time spent up to now is 103.9 secs Computing kpt #: 223 total cpu time spent up to now is 104.4 secs Computing kpt #: 224 total cpu time spent up to now is 104.8 secs Computing kpt #: 225 total cpu time spent up to now is 105.2 secs Computing kpt #: 226 total cpu time spent up to now is 105.7 secs Computing kpt #: 227 total cpu time spent up to now is 106.1 secs Computing kpt #: 228 total cpu time spent up to now is 106.5 secs Computing kpt #: 229 total cpu time spent up to now is 107.0 secs Computing kpt #: 230 total cpu time spent up to now is 107.5 secs Computing kpt #: 231 total cpu time spent up to now is 107.9 secs Computing kpt #: 232 total cpu time spent up to now is 108.4 secs Computing kpt #: 233 total cpu time spent up to now is 108.9 secs Computing kpt #: 234 total cpu time spent up to now is 109.3 secs Computing kpt #: 235 total cpu time spent up to now is 109.8 secs Computing kpt #: 236 total cpu time spent up to now is 110.3 secs Computing kpt #: 237 total cpu time spent up to now is 110.8 secs Computing kpt #: 238 total cpu time spent up to now is 111.3 secs Computing kpt #: 239 total cpu time spent up to now is 111.8 secs Computing kpt #: 240 total cpu time spent up to now is 112.2 secs Computing kpt #: 241 total cpu time spent up to now is 112.7 secs Computing kpt #: 242 total cpu time spent up to now is 113.2 secs Computing kpt #: 243 total cpu time spent up to now is 113.7 secs Computing kpt #: 244 total cpu time spent up to now is 114.1 secs Computing kpt #: 245 total cpu time spent up to now is 114.6 secs Computing kpt #: 246 total cpu time spent up to now is 115.1 secs Computing kpt #: 247 total cpu time spent up to now is 115.5 secs Computing kpt #: 248 total cpu time spent up to now is 116.0 secs Computing kpt #: 249 total cpu time spent up to now is 116.5 secs Computing kpt #: 250 total cpu time spent up to now is 117.0 secs Computing kpt #: 251 total cpu time spent up to now is 117.5 secs Computing kpt #: 252 total cpu time spent up to now is 118.0 secs Computing kpt #: 253 total cpu time spent up to now is 118.4 secs Computing kpt #: 254 total cpu time spent up to now is 118.9 secs Computing kpt #: 255 total cpu time spent up to now is 119.4 secs Computing kpt #: 256 total cpu time spent up to now is 119.9 secs Computing kpt #: 257 total cpu time spent up to now is 120.4 secs Computing kpt #: 258 total cpu time spent up to now is 120.9 secs Computing kpt #: 259 total cpu time spent up to now is 121.4 secs Computing kpt #: 260 total cpu time spent up to now is 121.9 secs Computing kpt #: 261 total cpu time spent up to now is 122.5 secs Computing kpt #: 262 total cpu time spent up to now is 123.0 secs Computing kpt #: 263 total cpu time spent up to now is 123.6 secs Computing kpt #: 264 total cpu time spent up to now is 124.2 secs Computing kpt #: 265 total cpu time spent up to now is 124.7 secs Computing kpt #: 266 total cpu time spent up to now is 125.3 secs Computing kpt #: 267 total cpu time spent up to now is 125.8 secs Computing kpt #: 268 total cpu time spent up to now is 126.3 secs Computing kpt #: 269 total cpu time spent up to now is 126.7 secs Computing kpt #: 270 total cpu time spent up to now is 127.2 secs Computing kpt #: 271 total cpu time spent up to now is 127.7 secs Computing kpt #: 272 total cpu time spent up to now is 128.1 secs Computing kpt #: 273 total cpu time spent up to now is 128.6 secs Computing kpt #: 274 total cpu time spent up to now is 129.0 secs Computing kpt #: 275 total cpu time spent up to now is 129.5 secs Computing kpt #: 276 total cpu time spent up to now is 129.9 secs Computing kpt #: 277 total cpu time spent up to now is 130.4 secs Computing kpt #: 278 total cpu time spent up to now is 130.8 secs Computing kpt #: 279 total cpu time spent up to now is 131.3 secs Computing kpt #: 280 total cpu time spent up to now is 131.7 secs Computing kpt #: 281 total cpu time spent up to now is 132.2 secs Computing kpt #: 282 total cpu time spent up to now is 132.6 secs Computing kpt #: 283 total cpu time spent up to now is 133.1 secs Computing kpt #: 284 total cpu time spent up to now is 133.5 secs Computing kpt #: 285 total cpu time spent up to now is 133.9 secs Computing kpt #: 286 total cpu time spent up to now is 134.4 secs Computing kpt #: 287 total cpu time spent up to now is 134.8 secs Computing kpt #: 288 total cpu time spent up to now is 135.3 secs Computing kpt #: 289 total cpu time spent up to now is 135.8 secs Computing kpt #: 290 total cpu time spent up to now is 136.2 secs Computing kpt #: 291 total cpu time spent up to now is 136.7 secs Computing kpt #: 292 total cpu time spent up to now is 137.1 secs Computing kpt #: 293 total cpu time spent up to now is 137.6 secs Computing kpt #: 294 total cpu time spent up to now is 138.0 secs Computing kpt #: 295 total cpu time spent up to now is 138.5 secs Computing kpt #: 296 total cpu time spent up to now is 138.9 secs Computing kpt #: 297 total cpu time spent up to now is 139.4 secs Computing kpt #: 298 total cpu time spent up to now is 139.8 secs Computing kpt #: 299 total cpu time spent up to now is 140.3 secs Computing kpt #: 300 total cpu time spent up to now is 140.7 secs Computing kpt #: 301 total cpu time spent up to now is 141.2 secs Computing kpt #: 302 total cpu time spent up to now is 141.6 secs Computing kpt #: 303 total cpu time spent up to now is 142.1 secs Computing kpt #: 304 total cpu time spent up to now is 142.5 secs Computing kpt #: 305 total cpu time spent up to now is 142.9 secs Computing kpt #: 306 total cpu time spent up to now is 143.4 secs Computing kpt #: 307 total cpu time spent up to now is 143.8 secs Computing kpt #: 308 total cpu time spent up to now is 144.3 secs Computing kpt #: 309 total cpu time spent up to now is 144.7 secs Computing kpt #: 310 total cpu time spent up to now is 145.2 secs Computing kpt #: 311 total cpu time spent up to now is 145.6 secs Computing kpt #: 312 total cpu time spent up to now is 146.1 secs Computing kpt #: 313 total cpu time spent up to now is 146.6 secs Computing kpt #: 314 total cpu time spent up to now is 147.0 secs Computing kpt #: 315 total cpu time spent up to now is 147.5 secs Computing kpt #: 316 total cpu time spent up to now is 148.0 secs Computing kpt #: 317 total cpu time spent up to now is 148.4 secs Computing kpt #: 318 total cpu time spent up to now is 148.9 secs Computing kpt #: 319 total cpu time spent up to now is 149.3 secs Computing kpt #: 320 total cpu time spent up to now is 149.8 secs Computing kpt #: 321 total cpu time spent up to now is 150.3 secs Computing kpt #: 322 total cpu time spent up to now is 150.7 secs Computing kpt #: 323 total cpu time spent up to now is 151.1 secs Computing kpt #: 324 total cpu time spent up to now is 151.5 secs Computing kpt #: 325 total cpu time spent up to now is 152.0 secs Computing kpt #: 326 total cpu time spent up to now is 152.4 secs Computing kpt #: 327 total cpu time spent up to now is 152.8 secs Computing kpt #: 328 total cpu time spent up to now is 153.2 secs Computing kpt #: 329 total cpu time spent up to now is 153.6 secs Computing kpt #: 330 total cpu time spent up to now is 154.1 secs Computing kpt #: 331 total cpu time spent up to now is 154.5 secs Computing kpt #: 332 total cpu time spent up to now is 154.9 secs Computing kpt #: 333 total cpu time spent up to now is 155.4 secs Computing kpt #: 334 total cpu time spent up to now is 155.8 secs Computing kpt #: 335 total cpu time spent up to now is 156.2 secs Computing kpt #: 336 total cpu time spent up to now is 156.7 secs Computing kpt #: 337 total cpu time spent up to now is 157.1 secs Computing kpt #: 338 total cpu time spent up to now is 157.6 secs Computing kpt #: 339 total cpu time spent up to now is 158.1 secs Computing kpt #: 340 total cpu time spent up to now is 158.6 secs Computing kpt #: 341 total cpu time spent up to now is 159.2 secs Computing kpt #: 342 total cpu time spent up to now is 159.8 secs Computing kpt #: 343 total cpu time spent up to now is 160.3 secs ethr = 2.50E-08, avg # of iterations = 16.0 total cpu time spent up to now is 160.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3357 PWs) bands (ev): -25.5331 -25.5331 -8.3825 -8.3825 -7.2738 -7.2738 -7.2262 -7.2262 -1.4974 -1.4974 1.8715 1.8715 4.2446 4.2446 5.4440 5.4440 5.5076 5.5076 5.5971 5.5971 6.0770 6.0770 6.1450 6.1450 6.2049 6.2049 6.3664 6.3664 6.5087 6.5087 6.8260 6.8260 6.8281 6.8281 7.7796 7.7796 7.8166 7.8166 10.1407 10.1407 10.4470 10.4470 10.5743 10.5743 11.3394 11.3394 12.3331 12.3331 k = 0.0000 0.0000 0.0186 ( 3361 PWs) bands (ev): -25.5331 -25.5331 -8.3826 -8.3826 -7.2738 -7.2738 -7.2264 -7.2264 -1.4960 -1.4960 1.8711 1.8711 4.2456 4.2456 5.4434 5.4434 5.5069 5.5069 5.5980 5.5980 6.0733 6.0733 6.1438 6.1438 6.2099 6.2099 6.3661 6.3661 6.5084 6.5084 6.8227 6.8227 6.8293 6.8293 7.7780 7.7780 7.8149 7.8149 10.1169 10.1169 10.4542 10.4542 10.5830 10.5830 11.3480 11.3480 12.3338 12.3338 k = 0.0000 0.0000 0.0372 ( 3365 PWs) bands (ev): -25.5330 -25.5330 -8.3828 -8.3828 -7.2739 -7.2739 -7.2269 -7.2269 -1.4918 -1.4918 1.8699 1.8699 4.2487 4.2487 5.4416 5.4416 5.5052 5.5052 5.6004 5.6004 6.0631 6.0631 6.1411 6.1411 6.2230 6.2230 6.3654 6.3654 6.5075 6.5075 6.8156 6.8156 6.8299 6.8299 7.7722 7.7722 7.8106 7.8106 10.0592 10.0592 10.4484 10.4484 10.6234 10.6234 11.3735 11.3735 12.3356 12.3356 k = 0.0000 0.0000 0.0558 ( 3365 PWs) bands (ev): -25.5330 -25.5330 -8.3831 -8.3831 -7.2741 -7.2741 -7.2277 -7.2277 -1.4848 -1.4848 1.8680 1.8680 4.2537 4.2537 5.4384 5.4384 5.5031 5.5031 5.6042 5.6042 6.0490 6.0490 6.1377 6.1377 6.2409 6.2409 6.3643 6.3643 6.5061 6.5061 6.8049 6.8049 6.8297 6.8297 7.7608 7.7608 7.8058 7.8058 9.9865 9.9865 10.4113 10.4113 10.6967 10.6967 11.4155 11.4155 12.3388 12.3388 k = 0.0000 0.0000 0.0744 ( 3359 PWs) bands (ev): -25.5329 -25.5329 -8.3836 -8.3836 -7.2744 -7.2744 -7.2288 -7.2288 -1.4751 -1.4751 1.8653 1.8653 4.2607 4.2607 5.4332 5.4332 5.5014 5.5014 5.6089 5.6089 6.0326 6.0326 6.1338 6.1338 6.2613 6.2613 6.3628 6.3628 6.5040 6.5040 6.7904 6.7904 6.8289 6.8289 7.7433 7.7433 7.8019 7.8019 9.9082 9.9082 10.3523 10.3523 10.7873 10.7873 11.4734 11.4734 12.3435 12.3435 k = 0.0000 0.0000 0.0930 ( 3359 PWs) bands (ev): -25.5328 -25.5328 -8.3842 -8.3842 -7.2747 -7.2747 -7.2303 -7.2303 -1.4627 -1.4627 1.8619 1.8619 4.2695 4.2695 5.4258 5.4258 5.5006 5.5006 5.6144 5.6144 6.0155 6.0155 6.1291 6.1291 6.2829 6.2829 6.3608 6.3608 6.5015 6.5015 6.7719 6.7719 6.8277 6.8277 7.7205 7.7205 7.7990 7.7990 9.8283 9.8283 10.2786 10.2786 10.8869 10.8869 11.5461 11.5461 12.3499 12.3499 k = 0.0000 0.0000 0.1116 ( 3351 PWs) bands (ev): -25.5327 -25.5327 -8.3850 -8.3850 -7.2751 -7.2751 -7.2320 -7.2320 -1.4476 -1.4476 1.8578 1.8578 4.2802 4.2802 5.4160 5.4160 5.5012 5.5012 5.6205 5.6205 5.9982 5.9982 6.1232 6.1232 6.3047 6.3047 6.3587 6.3587 6.4988 6.4988 6.7497 6.7497 6.8261 6.8261 7.6942 7.6942 7.7966 7.7966 9.7483 9.7483 10.1948 10.1948 10.9923 10.9923 11.6327 11.6327 12.3580 12.3580 k = 0.0000 0.0000 0.1302 ( 3343 PWs) bands (ev): -25.5325 -25.5325 -8.3858 -8.3858 -7.2755 -7.2755 -7.2341 -7.2341 -1.4299 -1.4299 1.8531 1.8531 4.2925 4.2925 5.4040 5.4040 5.5031 5.5031 5.6269 5.6269 5.9813 5.9813 6.1157 6.1157 6.3256 6.3256 6.3569 6.3569 6.4959 6.4959 6.7239 6.7239 6.8240 6.8240 7.6656 7.6656 7.7944 7.7944 9.6693 9.6693 10.1041 10.1041 11.1020 11.1020 11.7321 11.7321 12.3683 12.3683 k = 0.0000 0.0000 0.1488 ( 3343 PWs) bands (ev): -25.5324 -25.5324 -8.3868 -8.3868 -7.2761 -7.2761 -7.2363 -7.2363 -1.4096 -1.4096 1.8477 1.8477 4.3062 4.3062 5.3902 5.3902 5.5063 5.5063 5.6336 5.6336 5.9648 5.9648 6.1061 6.1061 6.3411 6.3411 6.3590 6.3590 6.4933 6.4933 6.6949 6.6949 6.8214 6.8214 7.6362 7.6362 7.7922 7.7922 9.5917 9.5917 10.0091 10.0091 11.2154 11.2154 11.8433 11.8433 12.3808 12.3808 k = 0.0000 0.0000 0.1674 ( 3333 PWs) bands (ev): -25.5322 -25.5322 -8.3879 -8.3879 -7.2767 -7.2767 -7.2389 -7.2389 -1.3867 -1.3867 1.8417 1.8417 4.3211 4.3211 5.3749 5.3749 5.5106 5.5106 5.6405 5.6405 5.9491 5.9491 6.0938 6.0938 6.3437 6.3437 6.3718 6.3718 6.4915 6.4915 6.6635 6.6635 6.8183 6.8183 7.6068 7.6068 7.7900 7.7900 9.5156 9.5156 9.9120 9.9120 11.3319 11.3319 11.9651 11.9651 12.3959 12.3959 k = 0.0000 0.0000 0.1860 ( 3329 PWs) bands (ev): -25.5320 -25.5320 -8.3892 -8.3892 -7.2773 -7.2773 -7.2416 -7.2416 -1.3615 -1.3615 1.8353 1.8353 4.3371 4.3371 5.3584 5.3584 5.5159 5.5159 5.6476 5.6476 5.9342 5.9342 6.0783 6.0783 6.3410 6.3410 6.3863 6.3863 6.4916 6.4916 6.6308 6.6308 6.8146 6.8146 7.5783 7.5783 7.7877 7.7877 9.4413 9.4413 9.8142 9.8142 11.4512 11.4512 12.0967 12.0967 12.4138 12.4138 k = 0.0000 0.0000 0.2046 ( 3331 PWs) bands (ev): -25.5318 -25.5318 -8.3905 -8.3905 -7.2781 -7.2781 -7.2446 -7.2446 -1.3339 -1.3339 1.8284 1.8284 4.3538 4.3538 5.3410 5.3410 5.5221 5.5221 5.6547 5.6547 5.9203 5.9203 6.0587 6.0587 6.3371 6.3371 6.3965 6.3965 6.4951 6.4951 6.5979 6.5979 6.8103 6.8103 7.5512 7.5512 7.7853 7.7853 9.3688 9.3688 9.7172 9.7172 11.5733 11.5733 12.2370 12.2370 12.4348 12.4348 k = 0.0000 0.0000 0.2232 ( 3323 PWs) bands (ev): -25.5316 -25.5316 -8.3919 -8.3919 -7.2789 -7.2789 -7.2477 -7.2477 -1.3040 -1.3040 1.8212 1.8212 4.3709 4.3709 5.3233 5.3233 5.5291 5.5291 5.6619 5.6619 5.9073 5.9073 6.0342 6.0342 6.3329 6.3329 6.4005 6.4005 6.5028 6.5028 6.5667 6.5667 6.8053 6.8053 7.5258 7.5258 7.7828 7.7828 9.2981 9.2981 9.6219 9.6219 11.6979 11.6979 12.3854 12.3854 12.4592 12.4592 k = 0.0000 0.0000 0.2418 ( 3315 PWs) bands (ev): -25.5313 -25.5313 -8.3934 -8.3934 -7.2798 -7.2798 -7.2510 -7.2510 -1.2720 -1.2720 1.8136 1.8136 4.3879 4.3879 5.3055 5.3055 5.5366 5.5366 5.6691 5.6691 5.8953 5.8953 6.0042 6.0042 6.3284 6.3284 6.3983 6.3983 6.5130 6.5130 6.5396 6.5396 6.7995 6.7995 7.5024 7.5024 7.7802 7.7802 9.2293 9.2293 9.5291 9.5291 11.8249 11.8249 12.4872 12.4872 12.5412 12.5412 k = 0.0000 0.0000 0.2603 ( 3305 PWs) bands (ev): -25.5311 -25.5311 -8.3950 -8.3950 -7.2807 -7.2807 -7.2544 -7.2544 -1.2379 -1.2379 1.8058 1.8058 4.4045 4.4045 5.2883 5.2883 5.5448 5.5448 5.6763 5.6763 5.8844 5.8844 5.9683 5.9683 6.3239 6.3239 6.3912 6.3912 6.5076 6.5076 6.5342 6.5342 6.7930 6.7930 7.4809 7.4809 7.7776 7.7776 9.1623 9.1623 9.4396 9.4396 11.9541 11.9541 12.5190 12.5190 12.7035 12.7035 k = 0.0000 0.0000 0.2789 ( 3295 PWs) bands (ev): -25.5308 -25.5308 -8.3967 -8.3967 -7.2818 -7.2818 -7.2578 -7.2578 -1.2019 -1.2019 1.7977 1.7977 4.4199 4.4199 5.2722 5.2722 5.5536 5.5536 5.6832 5.6832 5.8743 5.8743 5.9264 5.9264 6.3194 6.3194 6.3809 6.3809 6.4881 6.4881 6.5480 6.5480 6.7857 6.7857 7.4613 7.4613 7.7750 7.7750 9.0971 9.0971 9.3537 9.3537 12.0854 12.0854 12.5550 12.5550 12.8718 12.8718 k = 0.0000 0.0000 0.2975 ( 3299 PWs) bands (ev): -25.5305 -25.5305 -8.3985 -8.3985 -7.2831 -7.2831 -7.2612 -7.2612 -1.1640 -1.1640 1.7895 1.7895 4.4336 4.4336 5.2577 5.2577 5.5627 5.5627 5.6893 5.6893 5.8649 5.8649 5.8799 5.8799 6.3148 6.3148 6.3688 6.3688 6.4708 6.4708 6.5632 6.5632 6.7774 6.7774 7.4435 7.4435 7.7726 7.7726 9.0337 9.0337 9.2718 9.2718 12.2186 12.2186 12.5953 12.5953 13.0456 13.0456 k = 0.0000 0.0000 0.3161 ( 3306 PWs) bands (ev): -25.5302 -25.5302 -8.4003 -8.4003 -7.2845 -7.2845 -7.2646 -7.2646 -1.1244 -1.1244 1.7811 1.7811 4.4450 4.4450 5.2456 5.2456 5.5721 5.5721 5.6934 5.6934 5.8286 5.8286 5.8581 5.8581 6.3102 6.3102 6.3563 6.3563 6.4563 6.4563 6.5779 6.5779 6.7683 6.7683 7.4273 7.4273 7.7704 7.7704 8.9720 8.9720 9.1942 9.1942 12.3536 12.3536 12.6402 12.6402 13.2244 13.2244 k = 0.0000 0.0000 0.3347 ( 3306 PWs) bands (ev): -25.5299 -25.5299 -8.4021 -8.4021 -7.2861 -7.2861 -7.2678 -7.2678 -1.0833 -1.0833 1.7728 1.7728 4.4534 4.4534 5.2367 5.2367 5.5814 5.5814 5.6912 5.6912 5.7810 5.7810 5.8512 5.8512 6.3055 6.3055 6.3442 6.3442 6.4440 6.4440 6.5917 6.5917 6.7583 6.7583 7.4126 7.4126 7.7686 7.7686 8.9120 8.9120 9.1208 9.1208 12.4900 12.4900 12.6900 12.6900 13.4075 13.4075 k = 0.0000 0.0000 0.3533 ( 3312 PWs) bands (ev): -25.5296 -25.5296 -8.4040 -8.4040 -7.2880 -7.2880 -7.2708 -7.2708 -1.0408 -1.0408 1.7645 1.7645 4.4582 4.4582 5.2314 5.2314 5.5891 5.5891 5.6697 5.6697 5.7508 5.7508 5.8455 5.8455 6.3003 6.3003 6.3334 6.3334 6.4332 6.4332 6.6040 6.6040 6.7473 6.7473 7.3993 7.3993 7.7672 7.7672 8.8537 8.8537 9.0517 9.0517 12.6270 12.6270 12.7452 12.7452 13.5939 13.5939 k = 0.0000 0.0000 0.3719 ( 3316 PWs) bands (ev): -25.5292 -25.5292 -8.4060 -8.4060 -7.2903 -7.2903 -7.2736 -7.2736 -0.9970 -0.9970 1.7563 1.7563 4.4589 4.4589 5.2305 5.2305 5.5855 5.5855 5.6333 5.6333 5.7444 5.7444 5.8409 5.8409 6.2941 6.2941 6.3242 6.3242 6.4236 6.4236 6.6146 6.6146 6.7355 6.7355 7.3870 7.3870 7.7665 7.7665 8.7968 8.7968 8.9868 8.9868 12.7603 12.7603 12.8103 12.8103 13.6395 13.6395 k = 0.0000 0.0000 0.3905 ( 3318 PWs) bands (ev): -25.5289 -25.5289 -8.4079 -8.4079 -7.2929 -7.2929 -7.2759 -7.2759 -0.9521 -0.9521 1.7483 1.7483 4.4553 4.4553 5.2342 5.2342 5.5417 5.5417 5.6262 5.6262 5.7473 5.7473 5.8376 5.8376 6.2867 6.2867 6.3171 6.3171 6.4150 6.4150 6.6234 6.6234 6.7229 6.7229 7.3758 7.3758 7.7665 7.7665 8.7415 8.7415 8.9259 8.9259 12.8558 12.8558 12.9187 12.9187 13.6500 13.6500 k = 0.0000 0.0000 0.4091 ( 3322 PWs) bands (ev): -25.5286 -25.5286 -8.4099 -8.4099 -7.2958 -7.2958 -7.2780 -7.2780 -0.9062 -0.9062 1.7404 1.7404 4.4473 4.4473 5.2426 5.2426 5.4792 5.4792 5.6341 5.6341 5.7528 5.7528 5.8354 5.8354 6.2782 6.2782 6.3118 6.3118 6.4072 6.4072 6.6300 6.6300 6.7096 6.7096 7.3655 7.3655 7.7675 7.7675 8.6877 8.6877 8.8686 8.8686 12.9271 12.9271 13.0565 13.0565 13.6582 13.6582 k = 0.0000 0.0000 0.4277 ( 3322 PWs) bands (ev): -25.5282 -25.5282 -8.4119 -8.4119 -7.2990 -7.2990 -7.2797 -7.2797 -0.8596 -0.8596 1.7328 1.7328 4.4352 4.4352 5.2557 5.2557 5.4129 5.4129 5.6443 5.6443 5.7592 5.7592 5.8345 5.8345 6.2690 6.2690 6.3077 6.3077 6.4001 6.4001 6.6345 6.6345 6.6958 6.6958 7.3560 7.3560 7.7695 7.7695 8.6352 8.6352 8.8145 8.8145 12.9994 12.9994 13.1976 13.1976 13.6636 13.6636 k = 0.0000 0.0000 0.4463 ( 3318 PWs) bands (ev): -25.5279 -25.5279 -8.4138 -8.4138 -7.3024 -7.3024 -7.2812 -7.2812 -0.8125 -0.8125 1.7254 1.7254 4.4194 4.4194 5.2727 5.2727 5.3458 5.3458 5.6552 5.6552 5.7660 5.7660 5.8349 5.8349 6.2594 6.2594 6.3046 6.3046 6.3939 6.3939 6.6365 6.6365 6.6815 6.6815 7.3472 7.3472 7.7728 7.7728 8.5841 8.5841 8.7633 8.7633 13.0737 13.0737 13.3391 13.3391 13.6140 13.6140 k = 0.0000 0.0000 0.4649 ( 3326 PWs) bands (ev): -25.5275 -25.5275 -8.4158 -8.4158 -7.3059 -7.3059 -7.2825 -7.2825 -0.7649 -0.7649 1.7183 1.7183 4.4006 4.4006 5.2728 5.2728 5.2993 5.2993 5.6660 5.6660 5.7728 5.7728 5.8365 5.8365 6.2497 6.2497 6.3019 6.3019 6.3882 6.3882 6.6357 6.6357 6.6673 6.6673 7.3390 7.3390 7.7775 7.7775 8.5342 8.5342 8.7142 8.7142 13.1477 13.1477 13.4598 13.4598 13.4803 13.4803 k = 0.0000 0.0000 0.4835 ( 3326 PWs) bands (ev): -25.5271 -25.5271 -8.4178 -8.4178 -7.3095 -7.3095 -7.2836 -7.2836 -0.7171 -0.7171 1.7115 1.7115 4.3794 4.3794 5.2084 5.2084 5.3213 5.3213 5.6766 5.6766 5.7796 5.7796 5.8394 5.8394 6.2400 6.2400 6.2996 6.2996 6.3832 6.3832 6.6314 6.6314 6.6539 6.6539 7.3313 7.3313 7.7836 7.7836 8.4856 8.4856 8.6667 8.6667 13.2131 13.2131 13.3153 13.3153 13.5977 13.5977 k = 0.0000 0.0000 0.5021 ( 3322 PWs) bands (ev): -25.5268 -25.5268 -8.4197 -8.4197 -7.3131 -7.3131 -7.2847 -7.2847 -0.6692 -0.6692 1.7051 1.7051 4.3565 4.3565 5.1422 5.1422 5.3488 5.3488 5.6870 5.6870 5.7864 5.7864 5.8435 5.8435 6.2304 6.2304 6.2976 6.2976 6.3788 6.3788 6.6226 6.6226 6.6426 6.6426 7.3241 7.3241 7.7914 7.7914 8.4382 8.4382 8.6201 8.6201 13.1762 13.1762 13.2476 13.2476 13.5624 13.5624 k = 0.0000 0.0000 0.5207 ( 3322 PWs) bands (ev): -25.5264 -25.5264 -8.4216 -8.4216 -7.3167 -7.3167 -7.2856 -7.2856 -0.6216 -0.6216 1.6991 1.6991 4.3327 4.3327 5.0769 5.0769 5.3787 5.3787 5.6969 5.6969 5.7932 5.7932 5.8487 5.8487 6.2209 6.2209 6.2958 6.2958 6.3749 6.3749 6.6096 6.6096 6.6330 6.6330 7.3173 7.3173 7.8008 7.8008 8.3920 8.3920 8.5737 8.5737 13.0510 13.0510 13.1999 13.1999 13.5611 13.5611 k = 0.0000 0.0000 0.5393 ( 3322 PWs) bands (ev): -25.5261 -25.5261 -8.4235 -8.4235 -7.3202 -7.3202 -7.2864 -7.2864 -0.5743 -0.5743 1.6934 1.6934 4.3085 4.3085 5.0131 5.0131 5.4105 5.4105 5.7062 5.7062 5.8001 5.8001 5.8548 5.8548 6.2117 6.2117 6.2944 6.2944 6.3715 6.3715 6.5947 6.5947 6.6233 6.6233 7.3109 7.3109 7.8118 7.8118 8.3470 8.3470 8.5269 8.5269 12.9363 12.9363 13.0924 13.0924 13.6135 13.6135 k = 0.0000 0.0000 0.5579 ( 3322 PWs) bands (ev): -25.5257 -25.5257 -8.4253 -8.4253 -7.3236 -7.3236 -7.2872 -7.2872 -0.5277 -0.5277 1.6882 1.6882 4.2846 4.2846 4.9509 4.9509 5.4436 5.4436 5.7149 5.7149 5.8070 5.8070 5.8617 5.8617 6.2028 6.2028 6.2933 6.2933 6.3685 6.3685 6.5789 6.5789 6.6125 6.6125 7.3048 7.3048 7.8246 7.8246 8.3031 8.3031 8.4789 8.4789 12.8334 12.8334 12.9651 12.9651 13.6405 13.6405 k = 0.0000 0.0000 0.5765 ( 3322 PWs) bands (ev): -25.5254 -25.5254 -8.4271 -8.4271 -7.3270 -7.3270 -7.2879 -7.2879 -0.4818 -0.4818 1.6833 1.6833 4.2616 4.2616 4.8906 4.8906 5.4777 5.4777 5.7230 5.7230 5.8139 5.8139 5.8693 5.8693 6.1942 6.1942 6.2927 6.2927 6.3657 6.3657 6.5629 6.5629 6.6004 6.6004 7.2991 7.2991 7.8389 7.8389 8.2603 8.2603 8.4293 8.4293 12.7429 12.7429 12.8330 12.8330 13.6393 13.6393 k = 0.0000 0.0000 0.5951 ( 3322 PWs) bands (ev): -25.5250 -25.5250 -8.4288 -8.4288 -7.3302 -7.3302 -7.2886 -7.2886 -0.4369 -0.4369 1.6789 1.6789 4.2399 4.2399 4.8322 4.8322 5.5122 5.5122 5.7306 5.7306 5.8209 5.8209 5.8773 5.8773 6.1860 6.1860 6.2926 6.2926 6.3631 6.3631 6.5469 6.5469 6.5870 6.5870 7.2937 7.2937 7.8549 7.8549 8.2187 8.2187 8.3774 8.3774 12.6650 12.6650 12.7011 12.7011 13.6325 13.6325 k = 0.0000 0.0000 0.6137 ( 3324 PWs) bands (ev): -25.5247 -25.5247 -8.4304 -8.4304 -7.3333 -7.3333 -7.2892 -7.2892 -0.3932 -0.3932 1.6748 1.6748 4.2199 4.2199 4.7760 4.7760 5.5470 5.5470 5.7376 5.7376 5.8276 5.8276 5.8858 5.8858 6.1781 6.1781 6.2932 6.2932 6.3605 6.3605 6.5310 6.5310 6.5727 6.5727 7.2885 7.2885 7.8723 7.8723 8.1782 8.1782 8.3229 8.3229 12.5691 12.5691 12.6024 12.6024 13.6236 13.6236 k = 0.0000 0.0000 0.6323 ( 3318 PWs) bands (ev): -25.5244 -25.5244 -8.4320 -8.4320 -7.3363 -7.3363 -7.2898 -7.2898 -0.3508 -0.3508 1.6712 1.6712 4.2019 4.2019 4.7220 4.7220 5.5817 5.5817 5.7444 5.7444 5.8341 5.8341 5.8945 5.8945 6.1707 6.1707 6.2944 6.2944 6.3578 6.3578 6.5152 6.5152 6.5578 6.5578 7.2837 7.2837 7.8910 7.8910 8.1389 8.1389 8.2657 8.2657 12.4420 12.4420 12.5512 12.5512 13.6136 13.6136 k = 0.0000 0.0000 0.6509 ( 3318 PWs) bands (ev): -25.5241 -25.5241 -8.4336 -8.4336 -7.3392 -7.3392 -7.2903 -7.2903 -0.3100 -0.3100 1.6679 1.6679 4.1862 4.1862 4.6703 4.6703 5.6160 5.6160 5.7509 5.7509 5.8404 5.8404 5.9033 5.9033 6.1638 6.1638 6.2963 6.2963 6.3550 6.3550 6.4994 6.4994 6.5428 6.5428 7.2791 7.2791 7.9108 7.9108 8.1006 8.1006 8.2057 8.2057 12.3179 12.3179 12.5142 12.5142 13.6029 13.6029 k = 0.0000 0.0000 0.6695 ( 3314 PWs) bands (ev): -25.5238 -25.5238 -8.4350 -8.4350 -7.3419 -7.3419 -7.2907 -7.2907 -0.2709 -0.2709 1.6650 1.6650 4.1730 4.1730 4.6210 4.6210 5.6497 5.6497 5.7572 5.7572 5.8463 5.8463 5.9121 5.9121 6.1575 6.1575 6.2989 6.2989 6.3521 6.3521 6.4834 6.4834 6.5281 6.5281 7.2747 7.2747 7.9310 7.9310 8.0632 8.0632 8.1436 8.1436 12.1976 12.1976 12.4906 12.4906 13.5917 13.5917 k = 0.0000 0.0000 0.6881 ( 3310 PWs) bands (ev): -25.5235 -25.5235 -8.4364 -8.4364 -7.3445 -7.3445 -7.2912 -7.2912 -0.2336 -0.2336 1.6625 1.6625 4.1624 4.1624 4.5743 4.5743 5.6824 5.6824 5.7634 5.7634 5.8518 5.8518 5.9207 5.9207 6.1517 6.1517 6.3021 6.3021 6.3490 6.3490 6.4670 6.4670 6.5145 6.5145 7.2706 7.2706 7.9505 7.9505 8.0258 8.0258 8.0817 8.0817 12.0815 12.0815 12.4804 12.4804 13.5802 13.5802 k = 0.0000 0.0000 0.7067 ( 3310 PWs) bands (ev): -25.5232 -25.5232 -8.4377 -8.4377 -7.3469 -7.3469 -7.2915 -7.2915 -0.1983 -0.1983 1.6603 1.6603 4.1545 4.1545 4.5301 4.5301 5.7140 5.7140 5.7694 5.7694 5.8570 5.8570 5.9289 5.9289 6.1465 6.1465 6.3058 6.3058 6.3457 6.3457 6.4502 6.4502 6.5023 6.5023 7.2669 7.2669 7.9635 7.9635 7.9822 7.9822 8.0320 8.0320 11.9699 11.9699 12.4829 12.4829 13.5687 13.5687 k = 0.0000 0.0000 0.7253 ( 3314 PWs) bands (ev): -25.5229 -25.5229 -8.4389 -8.4389 -7.3492 -7.3492 -7.2919 -7.2919 -0.1651 -0.1651 1.6583 1.6583 4.1492 4.1492 4.4886 4.4886 5.7441 5.7441 5.7754 5.7754 5.8618 5.8618 5.9368 5.9368 6.1419 6.1419 6.3097 6.3097 6.3423 6.3423 6.4333 6.4333 6.4918 6.4918 7.2633 7.2633 7.9212 7.9212 7.9536 7.9536 8.0225 8.0225 11.8632 11.8632 12.4976 12.4976 13.5572 13.5572 k = 0.0000 0.0000 0.7438 ( 3322 PWs) bands (ev): -25.5227 -25.5227 -8.4401 -8.4401 -7.3513 -7.3513 -7.2922 -7.2922 -0.1341 -0.1341 1.6567 1.6567 4.1466 4.1466 4.4496 4.4496 5.7723 5.7723 5.7815 5.7815 5.8663 5.8663 5.9442 5.9442 6.1379 6.1379 6.3134 6.3134 6.3389 6.3389 6.4170 6.4170 6.4831 6.4831 7.2599 7.2599 7.8517 7.8517 7.9267 7.9267 8.0389 8.0389 11.7616 11.7616 12.5237 12.5237 13.5459 13.5459 k = 0.0000 0.0000 0.7624 ( 3320 PWs) bands (ev): -25.5224 -25.5224 -8.4412 -8.4412 -7.3533 -7.3533 -7.2925 -7.2925 -0.1054 -0.1054 1.6553 1.6553 4.1464 4.1464 4.4135 4.4135 5.7871 5.7871 5.7989 5.7989 5.8707 5.8707 5.9513 5.9513 6.1347 6.1347 6.3167 6.3167 6.3348 6.3348 6.4026 6.4026 6.4758 6.4758 7.2569 7.2569 7.7794 7.7794 7.8980 7.8980 8.0608 8.0608 11.6656 11.6656 12.5603 12.5603 13.5348 13.5348 k = 0.0000 0.0000 0.7810 ( 3322 PWs) bands (ev): -25.5222 -25.5222 -8.4421 -8.4421 -7.3551 -7.3551 -7.2927 -7.2927 -0.0789 -0.0789 1.6542 1.6542 4.1484 4.1484 4.3800 4.3800 5.7929 5.7929 5.8227 5.8227 5.8748 5.8748 5.9580 5.9580 6.1320 6.1320 6.3195 6.3195 6.3288 6.3288 6.3920 6.3920 6.4699 6.4699 7.2541 7.2541 7.7064 7.7064 7.8703 7.8703 8.0839 8.0839 11.5752 11.5752 12.6065 12.6065 13.5240 13.5240 k = 0.0000 0.0000 0.7996 ( 3328 PWs) bands (ev): -25.5220 -25.5220 -8.4430 -8.4430 -7.3567 -7.3567 -7.2929 -7.2929 -0.0549 -0.0549 1.6532 1.6532 4.1524 4.1524 4.3494 4.3494 5.7985 5.7985 5.8438 5.8438 5.8789 5.8789 5.9644 5.9644 6.1300 6.1300 6.3192 6.3192 6.3222 6.3222 6.3868 6.3868 6.4650 6.4650 7.2515 7.2515 7.6339 7.6339 7.8440 7.8440 8.1072 8.1072 11.4910 11.4910 12.6611 12.6611 13.5135 13.5135 k = 0.0000 0.0000 0.8182 ( 3322 PWs) bands (ev): -25.5218 -25.5218 -8.4439 -8.4439 -7.3582 -7.3582 -7.2931 -7.2931 -0.0331 -0.0331 1.6524 1.6524 4.1579 4.1579 4.3217 4.3217 5.8039 5.8039 5.8619 5.8619 5.8829 5.8829 5.9706 5.9706 6.1286 6.1286 6.3066 6.3066 6.3252 6.3252 6.3868 6.3868 6.4610 6.4610 7.2492 7.2492 7.5630 7.5630 7.8196 7.8196 8.1299 8.1299 11.4133 11.4133 12.7228 12.7228 13.5033 13.5033 k = 0.0000 0.0000 0.8368 ( 3320 PWs) bands (ev): -25.5217 -25.5217 -8.4446 -8.4446 -7.3595 -7.3595 -7.2933 -7.2933 -0.0138 -0.0138 1.6519 1.6519 4.1646 4.1646 4.2968 4.2968 5.8090 5.8090 5.8761 5.8761 5.8875 5.8875 5.9767 5.9767 6.1276 6.1276 6.2921 6.2921 6.3296 6.3296 6.3900 6.3900 6.4576 6.4576 7.2471 7.2471 7.4947 7.4947 7.7972 7.7972 8.1516 8.1516 11.3424 11.3424 12.7900 12.7900 13.4934 13.4934 k = 0.0000 0.0000 0.8554 ( 3320 PWs) bands (ev): -25.5215 -25.5215 -8.4452 -8.4452 -7.3607 -7.3607 -7.2934 -7.2934 0.0032 0.0032 1.6514 1.6514 4.1720 4.1720 4.2747 4.2747 5.8138 5.8138 5.8843 5.8843 5.8950 5.8950 5.9823 5.9823 6.1268 6.1268 6.2774 6.2774 6.3355 6.3355 6.3949 6.3949 6.4547 6.4547 7.2452 7.2452 7.4301 7.4301 7.7770 7.7770 8.1719 8.1719 11.2787 11.2787 12.8610 12.8610 13.4837 13.4837 k = 0.0000 0.0000 0.8740 ( 3320 PWs) bands (ev): -25.5214 -25.5214 -8.4458 -8.4458 -7.3617 -7.3617 -7.2935 -7.2935 0.0178 0.0178 1.6511 1.6511 4.1798 4.1798 4.2556 4.2556 5.8182 5.8182 5.8879 5.8879 5.9043 5.9043 5.9873 5.9873 6.1263 6.1263 6.2631 6.2631 6.3431 6.3431 6.4005 6.4005 6.4519 6.4519 7.2437 7.2437 7.3703 7.3703 7.7591 7.7591 8.1904 8.1904 11.2226 11.2226 12.9340 12.9340 13.4739 13.4739 k = 0.0000 0.0000 0.8926 ( 3328 PWs) bands (ev): -25.5213 -25.5213 -8.4463 -8.4463 -7.3626 -7.3626 -7.2936 -7.2936 0.0301 0.0301 1.6508 1.6508 4.1873 4.1873 4.2394 4.2394 5.8220 5.8220 5.8896 5.8896 5.9127 5.9127 5.9914 5.9914 6.1259 6.1259 6.2500 6.2500 6.3520 6.3520 6.4063 6.4063 6.4492 6.4492 7.2423 7.2423 7.3163 7.3163 7.7436 7.7436 8.2069 8.2069 11.1743 11.1743 13.0064 13.0064 13.4638 13.4638 k = 0.0000 0.0000 0.9112 ( 3320 PWs) bands (ev): -25.5212 -25.5212 -8.4467 -8.4467 -7.3633 -7.3633 -7.2937 -7.2937 0.0402 0.0402 1.6506 1.6506 4.1941 4.1941 4.2262 4.2262 5.8255 5.8255 5.8905 5.8905 5.9201 5.9201 5.9946 5.9946 6.1256 6.1256 6.2388 6.2388 6.3617 6.3617 6.4119 6.4119 6.4464 6.4464 7.2413 7.2413 7.2697 7.2697 7.7307 7.7307 8.2208 8.2208 11.1343 11.1343 13.0756 13.0756 13.4532 13.4532 k = 0.0000 0.0000 0.9298 ( 3312 PWs) bands (ev): -25.5211 -25.5211 -8.4470 -8.4470 -7.3638 -7.3638 -7.2937 -7.2937 0.0479 0.0479 1.6505 1.6505 4.1998 4.1998 4.2160 4.2160 5.8282 5.8282 5.8907 5.8907 5.9262 5.9262 5.9968 5.9968 6.1253 6.1253 6.2297 6.2297 6.3712 6.3712 6.4171 6.4171 6.4433 6.4433 7.2316 7.2316 7.2405 7.2405 7.7206 7.7206 8.2320 8.2320 11.1029 11.1029 13.1383 13.1383 13.4419 13.4419 k = 0.0000 0.0000 0.9484 ( 3320 PWs) bands (ev): -25.5210 -25.5210 -8.4472 -8.4472 -7.3642 -7.3642 -7.2938 -7.2938 0.0534 0.0534 1.6504 1.6504 4.2035 4.2035 4.2094 4.2094 5.8304 5.8304 5.8906 5.8906 5.9307 5.9307 5.9981 5.9981 6.1250 6.1250 6.2229 6.2229 6.3794 6.3794 6.4218 6.4218 6.4397 6.4397 7.2032 7.2032 7.2398 7.2398 7.7132 7.7132 8.2402 8.2402 11.0802 11.0802 13.1903 13.1903 13.4301 13.4301 k = 0.0000 0.0000 0.9670 ( 3320 PWs) bands (ev): -25.5210 -25.5210 -8.4473 -8.4473 -7.3644 -7.3644 -7.2938 -7.2938 0.0568 0.0568 1.6503 1.6503 4.2028 4.2028 4.2085 4.2085 5.8317 5.8317 5.8905 5.8905 5.9337 5.9337 5.9986 5.9986 6.1249 6.1249 6.2187 6.2187 6.3850 6.3850 6.4265 6.4265 6.4356 6.4356 7.1856 7.1856 7.2395 7.2395 7.7088 7.7088 8.2452 8.2452 11.0665 11.0665 13.2263 13.2263 13.4200 13.4200 k = 0.0000 0.0000 0.9856 ( 3324 PWs) bands (ev): -25.5210 -25.5210 -8.4473 -8.4473 -7.3645 -7.3645 -7.2938 -7.2938 0.0579 0.0579 1.6503 1.6503 4.2016 4.2016 4.2091 4.2091 5.8321 5.8321 5.8904 5.8904 5.9347 5.9347 5.9988 5.9988 6.1248 6.1248 6.2172 6.2172 6.3870 6.3870 6.4308 6.4308 6.4314 6.4314 7.1797 7.1797 7.2393 7.2393 7.7073 7.7073 8.2469 8.2469 11.0619 11.0619 13.2396 13.2396 13.4157 13.4157 k = 0.0000 0.0000 0.9856 ( 3324 PWs) bands (ev): -25.5210 -25.5210 -8.4473 -8.4473 -7.3645 -7.3645 -7.2938 -7.2938 0.0579 0.0579 1.6503 1.6503 4.2016 4.2016 4.2091 4.2091 5.8321 5.8321 5.8904 5.8904 5.9347 5.9347 5.9988 5.9988 6.1248 6.1248 6.2172 6.2172 6.3870 6.3870 6.4308 6.4308 6.4314 6.4314 7.1797 7.1797 7.2393 7.2393 7.7073 7.7073 8.2469 8.2469 11.0619 11.0619 13.2396 13.2396 13.4157 13.4157 k =-0.0087 0.0147 0.9856 ( 3320 PWs) bands (ev): -25.5210 -25.5210 -8.4473 -8.4473 -7.3644 -7.3644 -7.2938 -7.2938 0.0582 0.0582 1.6471 1.6471 4.2049 4.2049 4.2102 4.2102 5.8300 5.8300 5.8917 5.8917 5.9350 5.9350 5.9987 5.9987 6.1249 6.1249 6.2167 6.2167 6.3858 6.3858 6.4298 6.4298 6.4315 6.4315 7.1796 7.1796 7.2416 7.2416 7.7085 7.7085 8.2491 8.2491 11.0617 11.0617 13.2425 13.2425 13.4149 13.4149 k =-0.0173 0.0294 0.9856 ( 3320 PWs) bands (ev): -25.5210 -25.5210 -8.4472 -8.4472 -7.3642 -7.3642 -7.2939 -7.2939 0.0594 0.0594 1.6374 1.6374 4.2134 4.2134 4.2146 4.2146 5.8240 5.8240 5.8952 5.8952 5.9358 5.9358 5.9987 5.9987 6.1251 6.1251 6.2152 6.2152 6.3823 6.3823 6.4273 6.4273 6.4313 6.4313 7.1794 7.1794 7.2485 7.2485 7.7121 7.7121 8.2555 8.2555 11.0611 11.0611 13.2512 13.2512 13.4124 13.4124 k =-0.0260 0.0442 0.9856 ( 3312 PWs) bands (ev): -25.5211 -25.5211 -8.4471 -8.4471 -7.3639 -7.3639 -7.2939 -7.2939 0.0614 0.0614 1.6214 1.6214 4.2190 4.2190 4.2306 4.2306 5.8152 5.8152 5.8999 5.8999 5.9372 5.9372 5.9986 5.9986 6.1255 6.1255 6.2126 6.2126 6.3762 6.3762 6.4234 6.4234 6.4308 6.4308 7.1793 7.1793 7.2598 7.2598 7.7183 7.7183 8.2662 8.2662 11.0602 11.0602 13.2651 13.2651 13.4084 13.4084 k =-0.0347 0.0589 0.9856 ( 3314 PWs) bands (ev): -25.5211 -25.5211 -8.4468 -8.4468 -7.3634 -7.3634 -7.2941 -7.2941 0.0641 0.0641 1.5995 1.5995 4.2266 4.2266 4.2524 4.2524 5.8044 5.8044 5.9047 5.9047 5.9394 5.9394 5.9982 5.9982 6.1262 6.1262 6.2090 6.2090 6.3676 6.3676 6.4181 6.4181 6.4301 6.4301 7.1792 7.1792 7.2753 7.2753 7.7271 7.7271 8.2811 8.2811 11.0589 11.0589 13.2836 13.2836 13.4030 13.4030 k =-0.0433 0.0736 0.9856 ( 3310 PWs) bands (ev): -25.5212 -25.5212 -8.4466 -8.4466 -7.3627 -7.3627 -7.2942 -7.2942 0.0675 0.0675 1.5721 1.5721 4.2364 4.2364 4.2795 4.2795 5.7921 5.7921 5.9091 5.9091 5.9424 5.9424 5.9978 5.9978 6.1270 6.1270 6.2045 6.2045 6.3562 6.3562 6.4115 6.4115 6.4294 6.4294 7.1794 7.1794 7.2952 7.2952 7.7389 7.7389 8.3000 8.3000 11.0574 11.0574 13.3058 13.3058 13.3961 13.3961 k =-0.0520 0.0883 0.9856 ( 3322 PWs) bands (ev): -25.5213 -25.5213 -8.4462 -8.4462 -7.3620 -7.3620 -7.2945 -7.2945 0.0715 0.0715 1.5397 1.5397 4.2484 4.2484 4.3114 4.3114 5.7785 5.7785 5.9128 5.9128 5.9463 5.9463 5.9972 5.9972 6.1280 6.1280 6.1991 6.1991 6.3421 6.3421 6.4037 6.4037 6.4286 6.4286 7.1799 7.1799 7.3193 7.3193 7.7538 7.7538 8.3229 8.3229 11.0557 11.0557 13.3300 13.3300 13.3880 13.3880 k =-0.0606 0.1030 0.9856 ( 3328 PWs) bands (ev): -25.5214 -25.5214 -8.4458 -8.4458 -7.3610 -7.3610 -7.2947 -7.2947 0.0762 0.0762 1.5028 1.5028 4.2624 4.2624 4.3475 4.3475 5.7639 5.7639 5.9155 5.9155 5.9510 5.9510 5.9964 5.9964 6.1292 6.1292 6.1931 6.1931 6.3253 6.3253 6.3950 6.3950 6.4277 6.4277 7.1806 7.1806 7.3478 7.3478 7.7720 7.7720 8.3496 8.3496 11.0539 11.0539 13.3538 13.3538 13.3799 13.3799 k =-0.0693 0.1177 0.9856 ( 3326 PWs) bands (ev): -25.5215 -25.5215 -8.4454 -8.4454 -7.3600 -7.3600 -7.2949 -7.2949 0.0815 0.0815 1.4619 1.4619 4.2787 4.2787 4.3870 4.3870 5.7485 5.7485 5.9174 5.9174 5.9565 5.9565 5.9954 5.9954 6.1308 6.1308 6.1864 6.1864 6.3059 6.3059 6.3855 6.3855 6.4270 6.4270 7.1816 7.1816 7.3808 7.3808 7.7938 7.7938 8.3800 8.3800 11.0521 11.0521 13.3626 13.3626 13.3844 13.3844 k =-0.0780 0.1325 0.9856 ( 3330 PWs) bands (ev): -25.5217 -25.5217 -8.4448 -8.4448 -7.3588 -7.3588 -7.2952 -7.2952 0.0872 0.0872 1.4177 1.4177 4.2971 4.2971 4.4293 4.4293 5.7321 5.7321 5.9184 5.9184 5.9623 5.9623 5.9941 5.9941 6.1326 6.1326 6.1793 6.1793 6.2842 6.2842 6.3756 6.3756 6.4261 6.4261 7.1829 7.1829 7.4182 7.4182 7.8193 7.8193 8.4140 8.4140 11.0505 11.0505 13.3528 13.3528 13.4030 13.4030 k =-0.0866 0.1472 0.9856 ( 3320 PWs) bands (ev): -25.5218 -25.5218 -8.4442 -8.4442 -7.3574 -7.3574 -7.2956 -7.2956 0.0933 0.0933 1.3705 1.3705 4.3176 4.3176 4.4737 4.4737 5.7151 5.7151 5.9187 5.9187 5.9683 5.9683 5.9927 5.9927 6.1346 6.1346 6.1719 6.1719 6.2608 6.2608 6.3656 6.3656 6.4253 6.4253 7.1844 7.1844 7.4603 7.4603 7.8487 7.8487 8.4513 8.4513 11.0491 11.0491 13.3402 13.3402 13.4178 13.4178 k =-0.0866 0.1472 0.9856 ( 3320 PWs) bands (ev): -25.5218 -25.5218 -8.4442 -8.4442 -7.3574 -7.3574 -7.2956 -7.2956 0.0933 0.0933 1.3705 1.3705 4.3176 4.3176 4.4737 4.4737 5.7151 5.7151 5.9187 5.9187 5.9683 5.9683 5.9927 5.9927 6.1346 6.1346 6.1719 6.1719 6.2608 6.2608 6.3656 6.3656 6.4253 6.4253 7.1844 7.1844 7.4603 7.4603 7.8487 7.8487 8.4513 8.4513 11.0491 11.0491 13.3402 13.3402 13.4178 13.4178 k =-0.0933 0.1585 0.9725 ( 3322 PWs) bands (ev): -25.5220 -25.5220 -8.4437 -8.4437 -7.3563 -7.3563 -7.2958 -7.2958 0.0977 0.0977 1.3326 1.3326 4.3341 4.3341 4.5094 4.5094 5.7016 5.7016 5.9179 5.9179 5.9714 5.9714 5.9923 5.9923 6.1359 6.1359 6.1665 6.1665 6.2411 6.2411 6.3577 6.3577 6.4251 6.4251 7.1883 7.1883 7.4958 7.4958 7.8745 7.8745 8.4817 8.4817 11.0506 11.0506 13.3222 13.3222 13.4269 13.4269 k =-0.1000 0.1698 0.9593 ( 3324 PWs) bands (ev): -25.5221 -25.5221 -8.4432 -8.4432 -7.3551 -7.3551 -7.2959 -7.2959 0.1014 0.1014 1.2939 1.2939 4.3501 4.3501 4.5468 4.5468 5.6880 5.6880 5.9160 5.9160 5.9713 5.9713 5.9933 5.9933 6.1361 6.1361 6.1621 6.1621 6.2206 6.2206 6.3499 6.3499 6.4256 6.4256 7.1972 7.1972 7.5340 7.5340 7.9039 7.9039 8.5128 8.5128 11.0569 11.0569 13.2939 13.2939 13.4315 13.4315 k =-0.1066 0.1811 0.9462 ( 3322 PWs) bands (ev): -25.5223 -25.5223 -8.4426 -8.4426 -7.3539 -7.3539 -7.2959 -7.2959 0.1044 0.1044 1.2546 1.2546 4.3656 4.3656 4.5856 4.5856 5.6745 5.6745 5.9130 5.9130 5.9688 5.9688 5.9950 5.9950 6.1326 6.1326 6.1589 6.1589 6.2025 6.2025 6.3424 6.3424 6.4267 6.4267 7.2110 7.2110 7.5748 7.5748 7.9366 7.9366 8.5450 8.5450 11.0681 11.0681 13.2593 13.2593 13.4285 13.4285 k =-0.1133 0.1925 0.9330 ( 3318 PWs) bands (ev): -25.5225 -25.5225 -8.4419 -8.4419 -7.3527 -7.3527 -7.2958 -7.2958 0.1067 0.1067 1.2150 1.2150 4.3803 4.3803 4.6253 4.6253 5.6612 5.6612 5.9091 5.9091 5.9649 5.9649 5.9958 5.9958 6.1221 6.1221 6.1562 6.1562 6.1914 6.1914 6.3354 6.3354 6.4281 6.4281 7.2294 7.2294 7.6179 7.6179 7.9725 7.9725 8.5786 8.5786 11.0842 11.0842 13.2196 13.2196 13.4176 13.4176 k =-0.1200 0.2038 0.9199 ( 3324 PWs) bands (ev): -25.5227 -25.5227 -8.4412 -8.4412 -7.3516 -7.3516 -7.2955 -7.2955 0.1084 0.1084 1.1753 1.1753 4.3939 4.3939 4.6656 4.6656 5.6480 5.6480 5.9044 5.9044 5.9598 5.9598 5.9949 5.9949 6.1048 6.1048 6.1529 6.1529 6.1891 6.1891 6.3290 6.3290 6.4295 6.4295 7.2524 7.2524 7.6630 7.6630 8.0114 8.0114 8.6139 8.6139 11.1053 11.1053 13.1758 13.1758 13.3996 13.3996 k =-0.1266 0.2151 0.9067 ( 3324 PWs) bands (ev): -25.5229 -25.5229 -8.4404 -8.4404 -7.3505 -7.3505 -7.2949 -7.2949 0.1095 0.1095 1.1358 1.1358 4.4062 4.4062 4.7064 4.7064 5.6351 5.6351 5.8989 5.8989 5.9538 5.9538 5.9915 5.9915 6.0848 6.0848 6.1491 6.1491 6.1924 6.1924 6.3235 6.3235 6.4306 6.4306 7.2798 7.2798 7.7098 7.7098 8.0529 8.0529 8.6514 8.6514 11.1313 11.1313 13.1290 13.1290 13.3755 13.3755 k =-0.1333 0.2264 0.8936 ( 3326 PWs) bands (ev): -25.5231 -25.5231 -8.4397 -8.4397 -7.3497 -7.3497 -7.2941 -7.2941 0.1100 0.1100 1.0965 1.0965 4.4172 4.4172 4.7473 4.7473 5.6224 5.6224 5.8926 5.8926 5.9466 5.9466 5.9848 5.9848 6.0664 6.0664 6.1452 6.1452 6.1980 6.1980 6.3192 6.3192 6.4314 6.4314 7.3116 7.3116 7.7577 7.7577 8.0968 8.0968 8.6917 8.6917 11.1621 11.1621 13.0800 13.0800 13.3460 13.3460 k =-0.1400 0.2378 0.8805 ( 3326 PWs) bands (ev): -25.5233 -25.5233 -8.4389 -8.4389 -7.3490 -7.3490 -7.2930 -7.2930 0.1100 0.1100 1.0579 1.0579 4.4266 4.4266 4.7881 4.7881 5.6102 5.6102 5.8852 5.8852 5.9375 5.9375 5.9751 5.9751 6.0521 6.0521 6.1413 6.1413 6.2041 6.2041 6.3162 6.3162 6.4316 6.4316 7.3479 7.3479 7.8062 7.8062 8.1428 8.1428 8.7355 8.7355 11.1977 11.1977 13.0298 13.0298 13.3116 13.3116 k =-0.1466 0.2491 0.8673 ( 3326 PWs) bands (ev): -25.5235 -25.5235 -8.4381 -8.4381 -7.3486 -7.3486 -7.2915 -7.2915 0.1096 0.1096 1.0199 1.0199 4.4343 4.4343 4.8286 4.8286 5.5984 5.5984 5.8760 5.8760 5.9261 5.9261 5.9645 5.9645 6.0421 6.0421 6.1372 6.1372 6.2098 6.2098 6.3148 6.3148 6.4312 6.4312 7.3886 7.3886 7.8545 7.8545 8.1904 8.1904 8.7835 8.7835 11.2380 11.2380 12.9792 12.9792 13.2726 13.2726 k =-0.1533 0.2604 0.8542 ( 3322 PWs) bands (ev): -25.5238 -25.5238 -8.4373 -8.4373 -7.3484 -7.3484 -7.2897 -7.2897 0.1087 0.1087 0.9827 0.9827 4.4403 4.4403 4.8688 4.8688 5.5871 5.5871 5.8640 5.8640 5.9133 5.9133 5.9550 5.9550 6.0353 6.0353 6.1331 6.1331 6.2144 6.2144 6.3151 6.3151 6.4301 6.4301 7.4337 7.4337 7.9020 7.9020 8.2395 8.2395 8.8364 8.8364 11.2830 11.2830 12.9289 12.9289 13.2290 13.2290 k =-0.1600 0.2718 0.8410 ( 3328 PWs) bands (ev): -25.5240 -25.5240 -8.4365 -8.4365 -7.3484 -7.3484 -7.2877 -7.2877 0.1075 0.1075 0.9466 0.9466 4.4445 4.4445 4.9083 4.9083 5.5763 5.5763 5.8485 5.8485 5.9010 5.9010 5.9471 5.9471 6.0302 6.0302 6.1291 6.1291 6.2178 6.2178 6.3167 6.3167 6.4282 6.4282 7.4831 7.4831 7.9479 7.9479 8.2895 8.2895 8.8950 8.8950 11.3324 11.3324 12.8797 12.8797 13.1808 13.1808 k =-0.1666 0.2831 0.8279 ( 3332 PWs) bands (ev): -25.5242 -25.5242 -8.4358 -8.4358 -7.3486 -7.3486 -7.2853 -7.2853 0.1060 0.1060 0.9116 0.9116 4.4470 4.4470 4.9472 4.9472 5.5661 5.5661 5.8298 5.8298 5.8903 5.8903 5.9404 5.9404 6.0261 6.0261 6.1253 6.1253 6.2199 6.2199 6.3197 6.3197 6.4255 6.4255 7.5368 7.5368 7.9916 7.9916 8.3400 8.3400 8.9599 8.9599 11.3863 11.3863 12.8320 12.8320 13.1277 13.1277 k =-0.1733 0.2944 0.8147 ( 3324 PWs) bands (ev): -25.5245 -25.5245 -8.4350 -8.4350 -7.3491 -7.3491 -7.2827 -7.2827 0.1043 0.1043 0.8778 0.8778 4.4477 4.4477 4.9854 4.9854 5.5565 5.5565 5.8095 5.8095 5.8810 5.8810 5.9346 5.9346 6.0227 6.0227 6.1219 6.1219 6.2208 6.2208 6.3235 6.3235 6.4222 6.4222 7.5946 7.5946 8.0325 8.0325 8.3908 8.3908 9.0317 9.0317 11.4445 11.4445 12.7860 12.7860 13.0697 13.0697 k =-0.1800 0.3057 0.8016 ( 3326 PWs) bands (ev): -25.5247 -25.5247 -8.4343 -8.4343 -7.3497 -7.3497 -7.2800 -7.2800 0.1023 0.1023 0.8454 0.8454 4.4467 4.4467 5.0227 5.0227 5.5475 5.5475 5.7887 5.7887 5.8720 5.8720 5.9294 5.9294 6.0197 6.0197 6.1191 6.1191 6.2208 6.2208 6.3278 6.3278 6.4180 6.4180 7.6563 7.6563 8.0703 8.0703 8.4413 8.4413 9.1107 9.1107 11.5069 11.5069 12.7416 12.7416 13.0066 13.0066 k =-0.1866 0.3171 0.7885 ( 3330 PWs) bands (ev): -25.5250 -25.5250 -8.4335 -8.4335 -7.3504 -7.3504 -7.2771 -7.2771 0.1001 0.1001 0.8144 0.8144 4.4442 4.4442 5.0591 5.0591 5.5391 5.5391 5.7682 5.7682 5.8628 5.8628 5.9248 5.9248 6.0171 6.0171 6.1169 6.1169 6.2200 6.2200 6.3322 6.3322 6.4133 6.4133 7.7216 7.7216 8.1046 8.1046 8.4911 8.4911 9.1970 9.1970 11.5732 11.5732 12.6984 12.6984 12.9392 12.9392 k =-0.1933 0.3284 0.7753 ( 3332 PWs) bands (ev): -25.5252 -25.5252 -8.4329 -8.4329 -7.3513 -7.3513 -7.2740 -7.2740 0.0978 0.0978 0.7850 0.7850 4.4404 4.4404 5.0946 5.0946 5.5314 5.5314 5.7488 5.7488 5.8529 5.8529 5.9208 5.9208 6.0149 6.0149 6.1155 6.1155 6.2186 6.2186 6.3363 6.3363 6.4080 6.4080 7.7901 7.7901 8.1355 8.1355 8.5398 8.5398 9.2906 9.2906 11.6435 11.6435 12.6548 12.6548 12.8690 12.8690 k =-0.2000 0.3397 0.7622 ( 3328 PWs) bands (ev): -25.5254 -25.5254 -8.4322 -8.4322 -7.3522 -7.3522 -7.2710 -7.2710 0.0955 0.0955 0.7571 0.7571 4.4353 4.4353 5.1293 5.1293 5.5243 5.5243 5.7305 5.7305 5.8419 5.8419 5.9175 5.9175 6.0130 6.0130 6.1150 6.1150 6.2169 6.2169 6.3399 6.3399 6.4024 6.4024 7.8614 7.8614 8.1630 8.1630 8.5870 8.5870 9.3911 9.3911 11.7174 11.7174 12.6078 12.6078 12.7995 12.7995 k =-0.2066 0.3510 0.7490 ( 3328 PWs) bands (ev): -25.5257 -25.5257 -8.4316 -8.4316 -7.3531 -7.3531 -7.2679 -7.2679 0.0931 0.0931 0.7309 0.7309 4.4293 4.4293 5.1630 5.1630 5.5178 5.5178 5.7135 5.7135 5.8298 5.8298 5.9150 5.9150 6.0113 6.0113 6.1155 6.1155 6.2149 6.2149 6.3427 6.3427 6.3967 6.3967 7.9351 7.9351 8.1874 8.1874 8.6324 8.6324 9.4983 9.4983 11.7948 11.7948 12.5520 12.5520 12.7371 12.7371 k =-0.2133 0.3624 0.7359 ( 3324 PWs) bands (ev): -25.5259 -25.5259 -8.4310 -8.4310 -7.3541 -7.3541 -7.2649 -7.2649 0.0907 0.0907 0.7064 0.7064 4.4226 4.4226 5.1957 5.1957 5.5120 5.5120 5.6980 5.6980 5.8166 5.8166 5.9132 5.9132 6.0098 6.0098 6.1168 6.1168 6.2127 6.2127 6.3442 6.3442 6.3914 6.3914 8.0105 8.0105 8.2090 8.2090 8.6754 8.6754 9.6115 9.6115 11.8755 11.8755 12.4825 12.4825 12.6875 12.6875 k =-0.2200 0.3737 0.7228 ( 3322 PWs) bands (ev): -25.5261 -25.5261 -8.4305 -8.4305 -7.3551 -7.3551 -7.2619 -7.2619 0.0883 0.0883 0.6837 0.6837 4.4153 4.4153 5.2274 5.2274 5.5067 5.5067 5.6839 5.6839 5.8022 5.8022 5.9120 5.9120 6.0085 6.0085 6.1191 6.1191 6.2105 6.2105 6.3440 6.3440 6.3868 6.3868 8.0866 8.0866 8.2282 8.2282 8.7156 8.7156 9.7302 9.7302 11.9593 11.9593 12.4000 12.4000 12.6518 12.6518 k =-0.2266 0.3850 0.7096 ( 3318 PWs) bands (ev): -25.5262 -25.5262 -8.4300 -8.4300 -7.3561 -7.3561 -7.2591 -7.2591 0.0860 0.0860 0.6628 0.6628 4.4078 4.4078 5.2582 5.2582 5.5019 5.5019 5.6712 5.6712 5.7869 5.7869 5.9113 5.9113 6.0073 6.0073 6.1224 6.1224 6.2082 6.2082 6.3417 6.3417 6.3836 6.3836 8.1621 8.1621 8.2461 8.2461 8.7526 8.7526 9.8538 9.8538 12.0457 12.0457 12.3094 12.3094 12.6268 12.6268 k =-0.2333 0.3963 0.6965 ( 3316 PWs) bands (ev): -25.5264 -25.5264 -8.4296 -8.4296 -7.3570 -7.3570 -7.2564 -7.2564 0.0839 0.0839 0.6438 0.6438 4.4002 4.4002 5.2879 5.2879 5.4977 5.4977 5.6600 5.6600 5.7707 5.7707 5.9112 5.9112 6.0061 6.0061 6.1265 6.1265 6.2059 6.2059 6.3373 6.3373 6.3818 6.3818 8.2296 8.2296 8.2695 8.2695 8.7861 8.7861 9.9813 9.9813 12.1335 12.1335 12.2161 12.2161 12.6092 12.6092 k =-0.2400 0.4077 0.6833 ( 3312 PWs) bands (ev): -25.5266 -25.5266 -8.4292 -8.4292 -7.3578 -7.3578 -7.2540 -7.2540 0.0819 0.0819 0.6267 0.6267 4.3928 4.3928 5.3164 5.3164 5.4939 5.4939 5.6501 5.6501 5.7539 5.7539 5.9115 5.9115 6.0048 6.0048 6.1313 6.1313 6.2038 6.2038 6.3311 6.3311 6.3812 6.3812 8.2609 8.2609 8.3257 8.3257 8.8155 8.8155 10.1120 10.1120 12.1200 12.1200 12.2256 12.2256 12.5971 12.5971 k =-0.2466 0.4190 0.6702 ( 3314 PWs) bands (ev): -25.5267 -25.5267 -8.4288 -8.4288 -7.3586 -7.3586 -7.2517 -7.2517 0.0800 0.0800 0.6116 0.6116 4.3857 4.3857 5.3438 5.3438 5.4906 5.4906 5.6414 5.6414 5.7366 5.7366 5.9120 5.9120 6.0035 6.0035 6.1368 6.1368 6.2018 6.2018 6.3239 6.3239 6.3813 6.3813 8.2740 8.2740 8.3959 8.3959 8.8406 8.8406 10.2446 10.2446 12.0300 12.0300 12.3139 12.3139 12.5891 12.5891 k =-0.2533 0.4303 0.6570 ( 3320 PWs) bands (ev): -25.5268 -25.5268 -8.4285 -8.4285 -7.3594 -7.3594 -7.2497 -7.2497 0.0784 0.0784 0.5984 0.5984 4.3792 4.3792 5.3698 5.3698 5.4878 5.4878 5.6341 5.6341 5.7191 5.7191 5.9127 5.9127 6.0021 6.0021 6.1426 6.1426 6.1999 6.1999 6.3161 6.3161 6.3817 6.3817 8.2833 8.2833 8.4646 8.4646 8.8609 8.8609 10.3776 10.3776 11.9455 11.9455 12.3951 12.3951 12.5841 12.5841 k =-0.2600 0.4416 0.6439 ( 3318 PWs) bands (ev): -25.5270 -25.5270 -8.4282 -8.4282 -7.3600 -7.3600 -7.2480 -7.2480 0.0769 0.0769 0.5872 0.5872 4.3734 4.3734 5.3941 5.3941 5.4854 5.4854 5.6280 5.6280 5.7019 5.7019 5.9136 5.9136 6.0009 6.0009 6.1487 6.1487 6.1982 6.1982 6.3082 6.3082 6.3823 6.3823 8.2906 8.2906 8.5290 8.5290 8.8762 8.8762 10.5088 10.5088 11.8692 11.8692 12.4403 12.4403 12.5826 12.5826 k =-0.2666 0.4530 0.6308 ( 3320 PWs) bands (ev): -25.5270 -25.5270 -8.4280 -8.4280 -7.3605 -7.3605 -7.2465 -7.2465 0.0757 0.0757 0.5780 0.5780 4.3685 4.3685 5.4165 5.4165 5.4834 5.4834 5.6230 5.6230 5.6853 5.6853 5.9145 5.9145 5.9997 5.9997 6.1545 6.1545 6.1967 6.1967 6.3008 6.3008 6.3828 6.3828 8.2963 8.2963 8.5870 8.5870 8.8865 8.8865 10.6348 10.6348 11.8032 11.8032 12.3893 12.3893 12.5840 12.5840 k =-0.2733 0.4643 0.6176 ( 3316 PWs) bands (ev): -25.5271 -25.5271 -8.4279 -8.4279 -7.3609 -7.3609 -7.2453 -7.2453 0.0748 0.0748 0.5708 0.5708 4.3645 4.3645 5.4362 5.4362 5.4817 5.4817 5.6192 5.6192 5.6702 5.6702 5.9154 5.9154 5.9987 5.9987 6.1599 6.1599 6.1956 6.1956 6.2943 6.2943 6.3833 6.3833 8.3007 8.3007 8.6368 8.6368 8.8919 8.8919 10.7505 10.7505 11.7496 11.7496 12.2843 12.2843 12.5839 12.5839 k =-0.2800 0.4756 0.6045 ( 3316 PWs) bands (ev): -25.5272 -25.5272 -8.4278 -8.4278 -7.3612 -7.3612 -7.2445 -7.2445 0.0741 0.0741 0.5657 0.5657 4.3616 4.3616 5.4523 5.4523 5.4802 5.4802 5.6166 5.6166 5.6576 5.6576 5.9160 5.9160 5.9979 5.9979 6.1643 6.1643 6.1947 6.1947 6.2891 6.2891 6.3837 6.3837 8.3037 8.3037 8.6759 8.6759 8.8934 8.8934 10.8477 10.8477 11.7099 11.7099 12.1844 12.1844 12.5842 12.5842 k =-0.2867 0.4869 0.5913 ( 3321 PWs) bands (ev): -25.5272 -25.5272 -8.4277 -8.4277 -7.3614 -7.3614 -7.2440 -7.2440 0.0737 0.0737 0.5626 0.5626 4.3599 4.3599 5.4636 5.4636 5.4787 5.4787 5.6150 5.6150 5.6489 5.6489 5.9164 5.9164 5.9974 5.9974 6.1671 6.1671 6.1941 6.1941 6.2857 6.2857 6.3839 6.3839 8.3055 8.3055 8.7015 8.7015 8.8927 8.8927 10.9148 10.9148 11.6856 11.6856 12.1138 12.1138 12.5846 12.5846 k =-0.2933 0.4983 0.5782 ( 3319 PWs) bands (ev): -25.5272 -25.5272 -8.4277 -8.4277 -7.3614 -7.3614 -7.2438 -7.2438 0.0735 0.0735 0.5616 0.5616 4.3593 4.3593 5.4681 5.4681 5.4776 5.4776 5.6145 5.6145 5.6458 5.6458 5.9165 5.9165 5.9972 5.9972 6.1681 6.1681 6.1939 6.1939 6.2846 6.2846 6.3840 6.3840 8.3061 8.3061 8.7104 8.7104 8.8921 8.8921 10.9390 10.9390 11.6775 11.6775 12.0882 12.0882 12.5848 12.5848 k =-0.2933 0.4983 0.5782 ( 3319 PWs) bands (ev): -25.5272 -25.5272 -8.4277 -8.4277 -7.3614 -7.3614 -7.2438 -7.2438 0.0735 0.0735 0.5616 0.5616 4.3593 4.3593 5.4681 5.4681 5.4776 5.4776 5.6145 5.6145 5.6458 5.6458 5.9165 5.9165 5.9972 5.9972 6.1681 6.1681 6.1939 6.1939 6.2846 6.2846 6.3840 6.3840 8.3061 8.3061 8.7104 8.7104 8.8921 8.8921 10.9390 10.9390 11.6775 11.6775 12.0882 12.0882 12.5848 12.5848 k =-0.2867 0.4869 0.5650 ( 3323 PWs) bands (ev): -25.5271 -25.5271 -8.4284 -8.4284 -7.3631 -7.3631 -7.2431 -7.2431 0.0530 0.0530 0.6125 0.6125 4.3375 4.3375 5.4732 5.4732 5.4848 5.4848 5.6064 5.6064 5.6538 5.6538 5.9210 5.9210 6.0000 6.0000 6.1589 6.1589 6.1915 6.1915 6.2702 6.2702 6.3862 6.3862 8.2229 8.2229 8.7438 8.7438 8.8215 8.8215 10.8435 10.8435 11.7584 11.7584 12.0419 12.0419 12.6383 12.6383 k =-0.2800 0.4756 0.5519 ( 3329 PWs) bands (ev): -25.5270 -25.5270 -8.4290 -8.4290 -7.3645 -7.3645 -7.2424 -7.2424 0.0289 0.0289 0.6639 0.6639 4.3209 4.3209 5.4774 5.4774 5.4910 5.4910 5.5983 5.5983 5.6640 5.6640 5.9219 5.9219 6.0050 6.0050 6.1504 6.1504 6.1906 6.1906 6.2565 6.2565 6.3898 6.3898 8.1419 8.1419 8.7534 8.7534 8.7775 8.7775 10.7465 10.7465 11.8388 11.8388 11.9989 11.9989 12.6952 12.6952 k =-0.2733 0.4643 0.5388 ( 3325 PWs) bands (ev): -25.5269 -25.5269 -8.4295 -8.4295 -7.3656 -7.3656 -7.2418 -7.2418 0.0013 0.0013 0.7158 0.7158 4.3094 4.3094 5.4800 5.4800 5.4960 5.4960 5.5918 5.5918 5.6751 5.6751 5.9196 5.9196 6.0120 6.0120 6.1429 6.1429 6.1915 6.1915 6.2437 6.2437 6.3950 6.3950 8.0631 8.0631 8.6883 8.6883 8.8114 8.8114 10.6486 10.6486 11.9180 11.9180 11.9594 11.9594 12.7552 12.7552 k =-0.2667 0.4530 0.5256 ( 3323 PWs) bands (ev): -25.5269 -25.5269 -8.4298 -8.4298 -7.3664 -7.3664 -7.2412 -7.2412 -0.0296 -0.0296 0.7681 0.7681 4.3031 4.3031 5.4804 5.4804 5.4999 5.4999 5.5877 5.5877 5.6867 5.6867 5.9151 5.9151 6.0200 6.0200 6.1369 6.1369 6.1937 6.1937 6.2323 6.2323 6.4016 6.4016 7.9865 7.9865 8.6266 8.6266 8.8456 8.8456 10.5501 10.5501 11.9232 11.9232 11.9953 11.9953 12.8182 12.8182 k =-0.2600 0.4416 0.5125 ( 3323 PWs) bands (ev): -25.5268 -25.5268 -8.4299 -8.4299 -7.3668 -7.3668 -7.2407 -7.2407 -0.0637 -0.0637 0.8206 0.8206 4.3016 4.3016 5.4779 5.4779 5.5023 5.5023 5.5863 5.5863 5.6986 5.6986 5.9094 5.9094 6.0276 6.0276 6.1330 6.1330 6.1966 6.1966 6.2228 6.2228 6.4095 6.4095 7.9121 7.9121 8.5684 8.5684 8.8802 8.8802 10.4513 10.4513 11.8903 11.8903 12.0698 12.0698 12.8838 12.8838 k =-0.2533 0.4303 0.4993 ( 3323 PWs) bands (ev): -25.5268 -25.5268 -8.4299 -8.4299 -7.3668 -7.3668 -7.2403 -7.2403 -0.1007 -0.1007 0.8731 0.8731 4.3048 4.3048 5.4729 5.4729 5.5028 5.5028 5.5878 5.5878 5.7109 5.7109 5.9034 5.9034 6.0337 6.0337 6.1319 6.1319 6.1988 6.1988 6.2168 6.2168 6.4187 6.4187 7.8399 7.8399 8.5141 8.5141 8.9153 8.9153 10.3526 10.3526 11.8606 11.8606 12.1404 12.1404 12.9519 12.9519 k =-0.2467 0.4190 0.4862 ( 3323 PWs) bands (ev): -25.5268 -25.5268 -8.4297 -8.4297 -7.3666 -7.3666 -7.2399 -7.2399 -0.1406 -0.1406 0.9255 0.9255 4.3122 4.3122 5.4655 5.4655 5.5011 5.5011 5.5920 5.5920 5.7236 5.7236 5.8979 5.8979 6.0373 6.0373 6.1339 6.1339 6.1983 6.1983 6.2168 6.2168 6.4291 6.4291 7.7697 7.7697 8.4640 8.4640 8.9511 8.9511 10.2541 10.2541 11.8342 11.8342 12.2060 12.2060 13.0225 13.0225 k =-0.2400 0.4077 0.4731 ( 3319 PWs) bands (ev): -25.5268 -25.5268 -8.4293 -8.4293 -7.3659 -7.3659 -7.2397 -7.2397 -0.1829 -0.1829 0.9776 0.9776 4.3235 4.3235 5.4562 5.4562 5.4971 5.4971 5.5983 5.5983 5.7366 5.7366 5.8935 5.8935 6.0381 6.0381 6.1388 6.1388 6.1966 6.1966 6.2216 6.2216 6.4409 6.4409 7.7016 7.7016 8.4182 8.4182 8.9875 8.9875 10.1562 10.1562 11.8110 11.8110 12.2651 12.2651 13.0955 13.0955 k =-0.2333 0.3963 0.4599 ( 3323 PWs) bands (ev): -25.5269 -25.5269 -8.4288 -8.4288 -7.3650 -7.3650 -7.2395 -7.2395 -0.2275 -0.2275 1.0293 1.0293 4.3382 4.3382 5.4451 5.4451 5.4913 5.4913 5.6061 5.6061 5.7499 5.7499 5.8906 5.8906 6.0365 6.0365 6.1457 6.1457 6.1968 6.1968 6.2286 6.2286 6.4539 6.4539 7.6355 7.6355 8.3769 8.3769 9.0248 9.0248 10.0588 10.0588 11.7908 11.7908 12.3162 12.3162 13.1708 13.1708 k =-0.2267 0.3850 0.4468 ( 3319 PWs) bands (ev): -25.5270 -25.5270 -8.4281 -8.4281 -7.3637 -7.3637 -7.2393 -7.2393 -0.2741 -0.2741 1.0804 1.0804 4.3556 4.3556 5.4324 5.4324 5.4841 5.4841 5.6151 5.6151 5.7635 5.7635 5.8896 5.8896 6.0333 6.0333 6.1536 6.1536 6.2004 6.2004 6.2368 6.2368 6.4679 6.4679 7.5715 7.5715 8.3404 8.3404 9.0629 9.0629 9.9623 9.9623 11.7736 11.7736 12.3576 12.3576 13.2486 13.2486 k =-0.2200 0.3737 0.4336 ( 3317 PWs) bands (ev): -25.5271 -25.5271 -8.4273 -8.4273 -7.3621 -7.3621 -7.2393 -7.2393 -0.3224 -0.3224 1.1307 1.1307 4.3753 4.3753 5.4178 5.4178 5.4764 5.4764 5.6245 5.6245 5.7773 5.7773 5.8907 5.8907 6.0293 6.0293 6.1614 6.1614 6.2078 6.2078 6.2458 6.2458 6.4830 6.4830 7.5093 7.5093 8.3089 8.3089 9.1019 9.1019 9.8666 9.8666 11.7594 11.7594 12.3879 12.3879 13.3287 13.3287 k =-0.2133 0.3624 0.4205 ( 3325 PWs) bands (ev): -25.5272 -25.5272 -8.4263 -8.4263 -7.3601 -7.3601 -7.2393 -7.2393 -0.3720 -0.3720 1.1801 1.1801 4.3966 4.3966 5.4016 5.4016 5.4686 5.4686 5.6341 5.6341 5.7910 5.7910 5.8937 5.8937 6.0256 6.0256 6.1693 6.1693 6.2181 6.2181 6.2557 6.2557 6.4991 6.4991 7.4491 7.4491 8.2824 8.2824 9.1420 9.1420 9.7720 9.7720 11.7481 11.7481 12.4058 12.4058 13.4112 13.4112 k =-0.2067 0.3510 0.4074 ( 3325 PWs) bands (ev): -25.5273 -25.5273 -8.4252 -8.4252 -7.3578 -7.3578 -7.2394 -7.2394 -0.4228 -0.4228 1.2284 1.2284 4.4188 4.4188 5.3841 5.3841 5.4613 5.4613 5.6436 5.6436 5.8044 5.8044 5.8983 5.8983 6.0235 6.0235 6.1775 6.1775 6.2309 6.2309 6.2665 6.2665 6.5161 6.5161 7.3907 7.3907 8.2613 8.2613 9.1831 9.1831 9.6785 9.6785 11.7394 11.7394 12.4104 12.4104 13.4958 13.4958 k =-0.2000 0.3397 0.3942 ( 3323 PWs) bands (ev): -25.5274 -25.5274 -8.4239 -8.4239 -7.3552 -7.3552 -7.2396 -7.2396 -0.4745 -0.4745 1.2755 1.2755 4.4411 4.4411 5.3659 5.3659 5.4545 5.4545 5.6528 5.6528 5.8173 5.8173 5.9037 5.9037 6.0247 6.0247 6.1865 6.1865 6.2450 6.2450 6.2782 6.2782 6.5338 6.5338 7.3341 7.3341 8.2457 8.2457 9.2252 9.2252 9.5863 9.5863 11.7335 11.7335 12.4015 12.4015 13.5824 13.5824 k =-0.1933 0.3284 0.3811 ( 3321 PWs) bands (ev): -25.5276 -25.5276 -8.4225 -8.4225 -7.3523 -7.3523 -7.2398 -7.2398 -0.5267 -0.5267 1.3211 1.3211 4.4629 4.4629 5.3476 5.3476 5.4486 5.4486 5.6616 5.6616 5.8290 5.8290 5.9089 5.9089 6.0309 6.0309 6.1964 6.1964 6.2598 6.2598 6.2909 6.2909 6.5521 6.5521 7.2793 7.2793 8.2358 8.2358 9.2685 9.2685 9.4954 9.4954 11.7301 11.7301 12.3795 12.3795 13.6705 13.6705 k =-0.1867 0.3171 0.3679 ( 3323 PWs) bands (ev): -25.5278 -25.5278 -8.4210 -8.4210 -7.3491 -7.3491 -7.2401 -7.2401 -0.5792 -0.5792 1.3652 1.3652 4.4832 4.4832 5.3299 5.3299 5.4433 5.4433 5.6701 5.6701 5.8389 5.8389 5.9131 5.9131 6.0433 6.0433 6.2072 6.2072 6.2749 6.2749 6.3049 6.3049 6.5708 6.5708 7.2263 7.2263 8.2318 8.2318 9.3127 9.3127 9.4060 9.4060 11.7291 11.7291 12.3453 12.3453 13.7597 13.7597 k =-0.1800 0.3058 0.3548 ( 3327 PWs) bands (ev): -25.5280 -25.5280 -8.4194 -8.4194 -7.3457 -7.3457 -7.2404 -7.2404 -0.6319 -0.6319 1.4076 1.4076 4.5014 4.5014 5.3136 5.3136 5.4389 5.4389 5.6784 5.6784 5.8460 5.8460 5.9171 5.9171 6.0622 6.0622 6.2188 6.2188 6.2904 6.2904 6.3201 6.3201 6.5897 6.5897 7.1750 7.1750 8.2339 8.2339 9.3165 9.3165 9.3596 9.3596 11.7304 11.7304 12.3003 12.3003 13.8492 13.8492 k =-0.1733 0.2944 0.3417 ( 3319 PWs) bands (ev): -25.5282 -25.5282 -8.4176 -8.4176 -7.3420 -7.3420 -7.2408 -7.2408 -0.6844 -0.6844 1.4482 1.4482 4.5167 4.5167 5.2995 5.2995 5.4351 5.4351 5.6864 5.6864 5.8495 5.8495 5.9223 5.9223 6.0866 6.0866 6.2314 6.2314 6.3066 6.3066 6.3367 6.3367 6.6086 6.6086 7.1256 7.1256 8.2423 8.2423 9.2304 9.2304 9.4057 9.4057 11.7339 11.7339 12.2460 12.2460 13.9385 13.9385 k =-0.1667 0.2831 0.3285 ( 3321 PWs) bands (ev): -25.5284 -25.5284 -8.4159 -8.4159 -7.3381 -7.3381 -7.2412 -7.2412 -0.7365 -0.7365 1.4869 1.4869 4.5284 4.5284 5.2882 5.2882 5.4321 5.4321 5.6943 5.6943 5.8491 5.8491 5.9298 5.9298 6.1149 6.1149 6.2447 6.2447 6.3239 6.3239 6.3543 6.3543 6.6272 6.6272 7.0779 7.0779 8.2572 8.2572 9.1453 9.1453 9.4535 9.4535 11.7393 11.7393 12.1841 12.1841 14.0266 14.0266 k =-0.1600 0.2718 0.3154 ( 3317 PWs) bands (ev): -25.5286 -25.5286 -8.4140 -8.4140 -7.3340 -7.3340 -7.2416 -7.2416 -0.7880 -0.7880 1.5236 1.5236 4.5360 4.5360 5.2802 5.2802 5.4298 5.4298 5.7020 5.7020 5.8455 5.8455 5.9395 5.9395 6.1453 6.1453 6.2589 6.2589 6.3434 6.3434 6.3731 6.3731 6.6454 6.6454 7.0321 7.0321 8.2789 8.2789 9.0618 9.0618 9.5025 9.5025 11.7465 11.7465 12.1162 12.1162 14.1129 14.1129 k =-0.1533 0.2605 0.3022 ( 3315 PWs) bands (ev): -25.5289 -25.5289 -8.4121 -8.4121 -7.3297 -7.3297 -7.2420 -7.2420 -0.8388 -0.8388 1.5583 1.5583 4.5392 4.5392 5.2758 5.2758 5.4281 5.4281 5.7093 5.7093 5.8401 5.8401 5.9508 5.9508 6.1756 6.1756 6.2738 6.2738 6.3657 6.3657 6.3936 6.3936 6.6628 6.6628 6.9884 6.9884 8.3073 8.3073 8.9798 8.9798 9.5526 9.5526 11.7554 11.7554 12.0439 12.0439 14.1962 14.1962 k =-0.1467 0.2491 0.2891 ( 3313 PWs) bands (ev): -25.5291 -25.5291 -8.4102 -8.4102 -7.3254 -7.3254 -7.2424 -7.2424 -0.8886 -0.8886 1.5909 1.5909 4.5379 4.5379 5.2751 5.2751 5.4270 5.4270 5.7161 5.7161 5.8341 5.8341 5.9630 5.9630 6.2037 6.2037 6.2896 6.2896 6.3908 6.3908 6.4171 6.4171 6.6792 6.6792 6.9472 6.9472 8.3427 8.3427 8.8996 8.8996 9.6036 9.6036 11.7656 11.7656 11.9685 11.9685 14.2743 14.2743 k =-0.1400 0.2378 0.2760 ( 3317 PWs) bands (ev): -25.5294 -25.5294 -8.4082 -8.4082 -7.3209 -7.3209 -7.2428 -7.2428 -0.9374 -0.9374 1.6214 1.6214 4.5324 4.5324 5.2778 5.2778 5.4266 5.4266 5.7218 5.7218 5.8287 5.8287 5.9757 5.9757 6.2280 6.2280 6.3058 6.3058 6.4162 6.4162 6.4472 6.4472 6.6942 6.6942 6.9089 6.9089 8.3851 8.3851 8.8211 8.8211 9.6555 9.6555 11.7769 11.7769 11.8912 11.8912 14.3002 14.3002 k =-0.1333 0.2265 0.2628 ( 3321 PWs) bands (ev): -25.5296 -25.5296 -8.4063 -8.4063 -7.3164 -7.3164 -7.2431 -7.2431 -0.9848 -0.9848 1.6497 1.6497 4.5229 4.5229 5.2835 5.2835 5.4268 5.4268 5.7258 5.7258 5.8249 5.8249 5.9886 5.9886 6.2480 6.2480 6.3220 6.3220 6.4396 6.4396 6.4858 6.4858 6.7077 6.7077 6.8746 6.8746 8.4344 8.4344 8.7444 8.7444 9.7083 9.7083 11.7884 11.7884 11.8133 11.8133 14.1604 14.1604 k =-0.1267 0.2152 0.2497 ( 3315 PWs) bands (ev): -25.5299 -25.5299 -8.4043 -8.4043 -7.3118 -7.3118 -7.2434 -7.2434 -1.0308 -1.0308 1.6760 1.6760 4.5102 4.5102 5.2919 5.2919 5.4276 5.4276 5.7273 5.7273 5.8239 5.8239 6.0015 6.0015 6.2643 6.2643 6.3376 6.3376 6.4617 6.4617 6.5296 6.5296 6.7196 6.7196 6.8465 6.8465 8.4906 8.4906 8.6695 8.6695 9.7617 9.7617 11.7336 11.7336 11.8022 11.8022 13.9998 13.9998 k =-0.1200 0.2038 0.2365 ( 3319 PWs) bands (ev): -25.5302 -25.5302 -8.4024 -8.4024 -7.3074 -7.3074 -7.2436 -7.2436 -1.0753 -1.0753 1.7002 1.7002 4.4947 4.4947 5.3022 5.3022 5.4290 5.4290 5.7258 5.7258 5.8262 5.8262 6.0142 6.0142 6.2779 6.2779 6.3523 6.3523 6.4835 6.4835 6.5715 6.5715 6.7316 6.7316 6.8278 6.8278 8.5534 8.5534 8.5966 8.5966 9.8156 9.8156 11.6555 11.6555 11.8148 11.8148 13.8324 13.8324 k =-0.1133 0.1925 0.2234 ( 3315 PWs) bands (ev): -25.5304 -25.5304 -8.4005 -8.4005 -7.3030 -7.3030 -7.2436 -7.2436 -1.1180 -1.1180 1.7224 1.7224 4.4772 4.4772 5.3139 5.3139 5.4311 5.4311 5.7215 5.7215 5.8320 5.8320 6.0266 6.0266 6.2894 6.2894 6.3659 6.3659 6.5053 6.5053 6.6001 6.6001 6.7483 6.7483 6.8240 6.8240 8.5256 8.5256 8.6228 8.6228 9.8698 9.8698 11.5781 11.5781 11.8272 11.8272 13.6627 13.6627 k =-0.1067 0.1812 0.2103 ( 3315 PWs) bands (ev): -25.5307 -25.5307 -8.3987 -8.3987 -7.2988 -7.2988 -7.2435 -7.2435 -1.1590 -1.1590 1.7426 1.7426 4.4582 4.4582 5.3264 5.3264 5.4338 5.4338 5.7150 5.7150 5.8406 5.8406 6.0386 6.0386 6.2995 6.2995 6.3782 6.3782 6.5271 6.5271 6.6064 6.6064 6.7695 6.7695 6.8434 6.8434 8.4568 8.4568 8.6983 8.6983 9.9241 9.9241 11.5021 11.5021 11.8385 11.8385 13.4934 13.4934 k =-0.1000 0.1699 0.1971 ( 3307 PWs) bands (ev): -25.5309 -25.5309 -8.3969 -8.3969 -7.2948 -7.2948 -7.2432 -7.2432 -1.1980 -1.1980 1.7610 1.7610 4.4383 4.4383 5.3393 5.3393 5.4371 5.4371 5.7070 5.7070 5.8515 5.8515 6.0501 6.0501 6.3083 6.3083 6.3891 6.3891 6.5479 6.5479 6.5965 6.5965 6.7841 6.7841 6.8915 6.8915 8.3901 8.3901 8.7795 8.7795 9.9783 9.9783 11.4276 11.4276 11.8479 11.8479 13.3270 13.3270 k =-0.0933 0.1585 0.1840 ( 3307 PWs) bands (ev): -25.5312 -25.5312 -8.3952 -8.3952 -7.2912 -7.2912 -7.2427 -7.2427 -1.2350 -1.2350 1.7775 1.7775 4.4180 4.4180 5.3521 5.3521 5.4410 5.4410 5.6980 5.6980 5.8641 5.8641 6.0610 6.0610 6.3163 6.3163 6.3982 6.3982 6.5599 6.5599 6.5876 6.5876 6.7932 6.7932 6.9573 6.9573 8.3257 8.3257 8.8661 8.8661 10.0321 10.0321 11.3549 11.3549 11.8545 11.8545 13.1657 13.1657 k =-0.0867 0.1472 0.1708 ( 3307 PWs) bands (ev): -25.5314 -25.5314 -8.3936 -8.3936 -7.2878 -7.2878 -7.2420 -7.2420 -1.2699 -1.2699 1.7924 1.7924 4.3977 4.3977 5.3645 5.3645 5.4456 5.4456 5.6884 5.6884 5.8780 5.8780 6.0714 6.0714 6.3234 6.3234 6.4046 6.4046 6.5463 6.5463 6.6024 6.6024 6.8000 6.8000 7.0315 7.0315 8.2638 8.2638 8.9575 8.9575 10.0852 10.0852 11.2840 11.2840 11.8566 11.8566 13.0120 13.0120 k =-0.0800 0.1359 0.1577 ( 3315 PWs) bands (ev): -25.5316 -25.5316 -8.3920 -8.3920 -7.2849 -7.2849 -7.2410 -7.2410 -1.3025 -1.3025 1.8056 1.8056 4.3777 4.3777 5.3762 5.3762 5.4507 5.4507 5.6786 5.6786 5.8929 5.8929 6.0811 6.0811 6.3298 6.3298 6.4073 6.4073 6.5268 6.5268 6.6244 6.6244 6.8058 6.8058 7.1101 7.1101 8.2044 8.2044 9.0532 9.0532 10.1372 10.1372 11.2150 11.2150 11.8526 11.8526 12.8688 12.8688 k =-0.0733 0.1246 0.1445 ( 3323 PWs) bands (ev): -25.5318 -25.5318 -8.3906 -8.3906 -7.2824 -7.2824 -7.2398 -7.2398 -1.3329 -1.3329 1.8173 1.8173 4.3585 4.3585 5.3870 5.3870 5.4564 5.4564 5.6687 5.6687 5.9087 5.9087 6.0901 6.0901 6.3355 6.3355 6.4044 6.4044 6.5105 6.5105 6.6475 6.6475 6.8107 6.8107 7.1909 7.1909 8.1478 8.1478 9.1525 9.1525 10.1877 10.1877 11.1477 11.1477 11.8398 11.8398 12.7393 12.7393 k =-0.0667 0.1132 0.1314 ( 3323 PWs) bands (ev): -25.5320 -25.5320 -8.3892 -8.3892 -7.2803 -7.2803 -7.2383 -7.2383 -1.3608 -1.3608 1.8277 1.8277 4.3402 4.3402 5.3967 5.3967 5.4625 5.4625 5.6590 5.6590 5.9252 5.9252 6.0986 6.0986 6.3405 6.3405 6.3946 6.3946 6.5002 6.5002 6.6708 6.6708 6.8150 6.8150 7.2722 7.2722 8.0942 8.0942 9.2548 9.2548 10.2362 10.2362 11.0820 11.0820 11.8158 11.8158 12.6271 12.6271 k =-0.0600 0.1019 0.1183 ( 3333 PWs) bands (ev): -25.5322 -25.5322 -8.3880 -8.3880 -7.2786 -7.2786 -7.2367 -7.2367 -1.3863 -1.3863 1.8367 1.8367 4.3231 4.3231 5.4055 5.4055 5.4687 5.4687 5.6494 5.6494 5.9424 5.9424 6.1062 6.1062 6.3445 6.3445 6.3786 6.3786 6.4958 6.4958 6.6939 6.6939 6.8186 6.8186 7.3527 7.3527 8.0438 8.0438 9.3593 9.3593 10.2823 10.2823 11.0176 11.0176 11.7783 11.7783 12.5353 12.5353 k =-0.0533 0.0906 0.1051 ( 3337 PWs) bands (ev): -25.5324 -25.5324 -8.3869 -8.3869 -7.2772 -7.2772 -7.2350 -7.2350 -1.4093 -1.4093 1.8445 1.8445 4.3073 4.3073 5.4133 5.4133 5.4752 5.4752 5.6402 5.6402 5.9601 5.9601 6.1131 6.1131 6.3453 6.3453 6.3612 6.3612 6.4954 6.4954 6.7164 6.7164 6.8216 6.8216 7.4309 7.4309 7.9970 7.9970 9.4652 9.4652 10.3254 10.3254 10.9543 10.9543 11.7272 11.7272 12.4653 12.4653 k =-0.0467 0.0793 0.0920 ( 3345 PWs) bands (ev): -25.5326 -25.5326 -8.3859 -8.3859 -7.2762 -7.2762 -7.2333 -7.2333 -1.4297 -1.4297 1.8512 1.8512 4.2931 4.2931 5.4202 5.4202 5.4815 5.4815 5.6316 5.6316 5.9781 5.9781 6.1193 6.1193 6.3306 6.3306 6.3565 6.3565 6.4969 6.4969 6.7379 6.7379 6.8241 6.8241 7.5056 7.5056 7.9541 7.9541 9.5715 9.5715 10.3649 10.3649 10.8916 10.8916 11.6651 11.6651 12.4155 12.4155 k =-0.0400 0.0679 0.0788 ( 3357 PWs) bands (ev): -25.5327 -25.5327 -8.3850 -8.3850 -7.2754 -7.2754 -7.2316 -7.2316 -1.4476 -1.4476 1.8568 1.8568 4.2805 4.2805 5.4263 5.4263 5.4875 5.4875 5.6233 5.6233 5.9963 5.9963 6.1247 6.1247 6.3081 6.3081 6.3585 6.3585 6.4993 6.4993 6.7580 6.7580 6.8261 6.8261 7.5750 7.5750 7.9156 7.9156 9.6770 9.6770 10.4001 10.4001 10.8294 10.8294 11.5972 11.5972 12.3821 12.3821 k =-0.0333 0.0566 0.0657 ( 3363 PWs) bands (ev): -25.5328 -25.5328 -8.3842 -8.3842 -7.2748 -7.2748 -7.2301 -7.2301 -1.4627 -1.4627 1.8614 1.8614 4.2697 4.2697 5.4314 5.4314 5.4930 5.4930 5.6160 5.6160 6.0145 6.0145 6.1296 6.1296 6.2849 6.2849 6.3607 6.3607 6.5018 6.5018 6.7762 6.7762 6.8277 6.8277 7.6375 7.6375 7.8820 7.8820 9.7805 9.7805 10.4300 10.4300 10.7677 10.7677 11.5292 11.5292 12.3608 12.3608 k =-0.0267 0.0453 0.0526 ( 3355 PWs) bands (ev): -25.5329 -25.5329 -8.3836 -8.3836 -7.2744 -7.2744 -7.2288 -7.2288 -1.4751 -1.4751 1.8651 1.8651 4.2607 4.2607 5.4359 5.4359 5.4979 5.4979 5.6098 5.6098 6.0323 6.0323 6.1338 6.1338 6.2624 6.2624 6.3627 6.3627 6.5042 6.5042 6.7922 6.7922 6.8289 6.8289 7.6913 7.6913 7.8540 7.8540 9.8800 9.8800 10.4533 10.4533 10.7073 10.7073 11.4665 11.4665 12.3478 12.3478 k =-0.0200 0.0340 0.0394 ( 3361 PWs) bands (ev): -25.5330 -25.5330 -8.3831 -8.3831 -7.2741 -7.2741 -7.2277 -7.2277 -1.4848 -1.4848 1.8679 1.8679 4.2537 4.2537 5.4393 5.4393 5.5019 5.5019 5.6045 5.6045 6.0489 6.0489 6.1376 6.1376 6.2414 6.2414 6.3643 6.3643 6.5061 6.5061 6.8055 6.8055 6.8297 6.8297 7.7343 7.7343 7.8324 7.8324 9.9731 9.9731 10.4678 10.4678 10.6513 10.6513 11.4133 11.4133 12.3401 12.3401 k =-0.0133 0.0226 0.0263 ( 3361 PWs) bands (ev): -25.5330 -25.5330 -8.3828 -8.3828 -7.2739 -7.2739 -7.2269 -7.2269 -1.4918 -1.4918 1.8699 1.8699 4.2487 4.2487 5.4419 5.4419 5.5050 5.5050 5.6005 5.6005 6.0632 6.0632 6.1409 6.1409 6.2232 6.2232 6.3654 6.3654 6.5075 6.5075 6.8157 6.8157 6.8299 6.8299 7.7638 7.7638 7.8190 7.8190 10.0550 10.0550 10.4691 10.4691 10.6063 10.6063 11.3730 11.3730 12.3359 12.3359 k =-0.0067 0.0113 0.0131 ( 3361 PWs) bands (ev): -25.5331 -25.5331 -8.3826 -8.3826 -7.2738 -7.2738 -7.2264 -7.2264 -1.4960 -1.4960 1.8711 1.8711 4.2456 4.2456 5.4434 5.4434 5.5069 5.5069 5.5980 5.5980 6.0733 6.0733 6.1437 6.1437 6.2099 6.2099 6.3661 6.3661 6.5084 6.5084 6.8227 6.8227 6.8293 6.8293 7.7772 7.7772 7.8157 7.8157 10.1164 10.1164 10.4565 10.4565 10.5812 10.5812 11.3479 11.3479 12.3338 12.3338 k = 0.0000 0.0000 0.0000 ( 3357 PWs) bands (ev): -25.5331 -25.5331 -8.3825 -8.3825 -7.2738 -7.2738 -7.2262 -7.2262 -1.4974 -1.4974 1.8715 1.8715 4.2446 4.2446 5.4440 5.4440 5.5076 5.5076 5.5971 5.5971 6.0770 6.0770 6.1450 6.1450 6.2049 6.2049 6.3664 6.3664 6.5087 6.5087 6.8260 6.8260 6.8281 6.8281 7.7796 7.7796 7.8166 7.8166 10.1407 10.1407 10.4470 10.4470 10.5743 10.5743 11.3394 11.3394 12.3331 12.3331 k = 0.0000 0.0000 0.0000 ( 3357 PWs) bands (ev): -25.5331 -25.5331 -8.3825 -8.3825 -7.2738 -7.2738 -7.2262 -7.2262 -1.4974 -1.4974 1.8715 1.8715 4.2446 4.2446 5.4440 5.4440 5.5076 5.5076 5.5971 5.5971 6.0770 6.0770 6.1450 6.1450 6.2049 6.2049 6.3664 6.3664 6.5087 6.5087 6.8260 6.8260 6.8281 6.8281 7.7796 7.7796 7.8166 7.8166 10.1407 10.1407 10.4470 10.4470 10.5743 10.5743 11.3394 11.3394 12.3331 12.3331 k = 0.0161 0.0095-0.0000 ( 3365 PWs) bands (ev): -25.5331 -25.5331 -8.3825 -8.3825 -7.2739 -7.2739 -7.2262 -7.2262 -1.4958 -1.4958 1.8664 1.8664 4.2484 4.2484 5.4439 5.4439 5.5075 5.5075 5.5971 5.5971 6.0757 6.0757 6.1443 6.1443 6.2047 6.2047 6.3659 6.3659 6.5087 6.5087 6.8231 6.8231 6.8357 6.8357 7.7793 7.7793 7.8165 7.8165 10.1377 10.1377 10.4496 10.4496 10.5769 10.5769 11.3457 11.3457 12.3173 12.3173 k = 0.0323 0.0190-0.0000 ( 3365 PWs) bands (ev): -25.5331 -25.5331 -8.3826 -8.3826 -7.2741 -7.2741 -7.2262 -7.2262 -1.4913 -1.4913 1.8512 1.8512 4.2595 4.2595 5.4439 5.4439 5.5076 5.5076 5.5972 5.5972 6.0718 6.0718 6.1425 6.1425 6.2040 6.2040 6.3649 6.3649 6.5087 6.5087 6.8216 6.8216 6.8512 6.8512 7.7784 7.7784 7.8160 7.8160 10.1289 10.1289 10.4576 10.4576 10.5846 10.5846 11.3643 11.3643 12.2744 12.2744 k = 0.0484 0.0285-0.0000 ( 3369 PWs) bands (ev): -25.5331 -25.5331 -8.3828 -8.3828 -7.2745 -7.2745 -7.2262 -7.2262 -1.4838 -1.4838 1.8263 1.8263 4.2777 4.2777 5.4438 5.4438 5.5076 5.5076 5.5973 5.5973 6.0654 6.0654 6.1398 6.1398 6.2030 6.2030 6.3629 6.3629 6.5086 6.5086 6.8208 6.8208 6.8749 6.8749 7.7770 7.7770 7.8153 7.8153 10.1149 10.1149 10.4707 10.4707 10.5974 10.5974 11.3948 11.3948 12.2135 12.2135 k = 0.0645 0.0380-0.0000 ( 3369 PWs) bands (ev): -25.5331 -25.5331 -8.3830 -8.3830 -7.2751 -7.2751 -7.2263 -7.2263 -1.4733 -1.4733 1.7925 1.7925 4.3019 4.3019 5.4437 5.4437 5.5077 5.5077 5.5974 5.5974 6.0565 6.0565 6.1367 6.1367 6.2016 6.2016 6.3600 6.3600 6.5085 6.5085 6.8205 6.8205 6.9071 6.9071 7.7750 7.7750 7.8143 7.8143 10.0964 10.0964 10.4889 10.4889 10.6151 10.6151 11.4362 11.4362 12.1423 12.1423 k = 0.0806 0.0475-0.0000 ( 3349 PWs) bands (ev): -25.5331 -25.5331 -8.3833 -8.3833 -7.2758 -7.2758 -7.2263 -7.2263 -1.4598 -1.4598 1.7504 1.7504 4.3313 4.3313 5.4437 5.4437 5.5080 5.5080 5.5977 5.5977 6.0454 6.0454 6.1334 6.1334 6.2000 6.2000 6.3566 6.3566 6.5085 6.5085 6.8203 6.8203 6.9476 6.9476 7.7726 7.7726 7.8131 7.8131 10.0743 10.0743 10.5122 10.5122 10.6378 10.6378 11.4876 11.4876 12.0661 12.0661 k = 0.0968 0.0570-0.0000 ( 3349 PWs) bands (ev): -25.5330 -25.5330 -8.3836 -8.3836 -7.2767 -7.2767 -7.2263 -7.2263 -1.4433 -1.4433 1.7011 1.7011 4.3647 4.3647 5.4435 5.4435 5.5081 5.5081 5.5979 5.5979 6.0323 6.0323 6.1301 6.1301 6.1979 6.1979 6.3523 6.3523 6.5084 6.5084 6.8201 6.8201 6.9964 6.9964 7.7697 7.7697 7.8118 7.8118 10.0497 10.0497 10.5403 10.5403 10.6651 10.6651 11.5481 11.5481 11.9876 11.9876 k = 0.1129 0.0665-0.0000 ( 3345 PWs) bands (ev): -25.5330 -25.5330 -8.3840 -8.3840 -7.2777 -7.2777 -7.2264 -7.2264 -1.4240 -1.4240 1.6453 1.6453 4.4010 4.4010 5.4432 5.4432 5.5083 5.5083 5.5982 5.5982 6.0178 6.0178 6.1268 6.1268 6.1956 6.1956 6.3472 6.3472 6.5084 6.5084 6.8200 6.8200 7.0532 7.0532 7.7666 7.7666 7.8103 7.8103 10.0233 10.0233 10.5731 10.5731 10.6969 10.6969 11.6169 11.6169 11.9089 11.9089 k = 0.1290 0.0760-0.0000 ( 3345 PWs) bands (ev): -25.5330 -25.5330 -8.3844 -8.3844 -7.2789 -7.2789 -7.2264 -7.2264 -1.4017 -1.4017 1.5841 1.5841 4.4390 4.4390 5.4430 5.4430 5.5085 5.5085 5.5985 5.5985 6.0023 6.0023 6.1235 6.1235 6.1928 6.1928 6.3416 6.3416 6.5082 6.5082 6.8198 6.8198 7.1180 7.1180 7.7631 7.7631 7.8088 7.8088 9.9958 9.9958 10.6103 10.6103 10.7331 10.7331 11.6929 11.6929 11.8311 11.8311 k = 0.1452 0.0855-0.0000 ( 3337 PWs) bands (ev): -25.5330 -25.5330 -8.3849 -8.3849 -7.2801 -7.2801 -7.2265 -7.2265 -1.3767 -1.3767 1.5182 1.5182 4.4776 4.4776 5.4428 5.4428 5.5089 5.5089 5.5987 5.5987 5.9862 5.9862 6.1202 6.1202 6.1897 6.1897 6.3355 6.3355 6.5081 6.5081 6.8199 6.8199 7.1907 7.1907 7.7596 7.7596 7.8073 7.8073 9.9679 9.9679 10.6517 10.6517 10.7735 10.7735 11.7550 11.7550 11.7758 11.7758 k = 0.1613 0.0949-0.0000 ( 3337 PWs) bands (ev): -25.5330 -25.5330 -8.3854 -8.3854 -7.2815 -7.2815 -7.2265 -7.2265 -1.3488 -1.3488 1.4484 1.4484 4.5160 4.5160 5.4426 5.4426 5.5093 5.5093 5.5990 5.5990 5.9700 5.9700 6.1169 6.1169 6.1863 6.1863 6.3290 6.3290 6.5079 6.5079 6.8197 6.8197 7.2711 7.2711 7.7559 7.7559 7.8058 7.8058 9.9399 9.9399 10.6970 10.6970 10.8176 10.8176 11.6812 11.6812 11.8647 11.8647 k = 0.1774 0.1044-0.0000 ( 3329 PWs) bands (ev): -25.5330 -25.5330 -8.3859 -8.3859 -7.2829 -7.2829 -7.2266 -7.2266 -1.3182 -1.3182 1.3755 1.3755 4.5532 4.5532 5.4424 5.4424 5.5098 5.5098 5.5994 5.5994 5.9538 5.9538 6.1135 6.1135 6.1826 6.1826 6.3220 6.3220 6.5077 6.5077 6.8197 6.8197 7.3594 7.3594 7.7523 7.7523 7.8044 7.8044 9.9124 9.9124 10.7460 10.7460 10.8654 10.8654 11.6100 11.6100 11.9593 11.9593 k = 0.1935 0.1139-0.0000 ( 3325 PWs) bands (ev): -25.5330 -25.5330 -8.3865 -8.3865 -7.2844 -7.2844 -7.2266 -7.2266 -1.2848 -1.2848 1.3000 1.3000 4.5886 4.5886 5.4422 5.4422 5.5103 5.5103 5.5997 5.5997 5.9381 5.9381 6.1100 6.1100 6.1788 6.1788 6.3147 6.3147 6.5075 6.5075 6.8195 6.8195 7.4554 7.4554 7.7488 7.7488 7.8032 7.8032 9.8857 9.8857 10.7984 10.7984 10.9166 10.9166 11.5419 11.5419 12.0591 12.0591 k = 0.2097 0.1234-0.0000 ( 3317 PWs) bands (ev): -25.5329 -25.5329 -8.3871 -8.3871 -7.2859 -7.2859 -7.2267 -7.2267 -1.2489 -1.2489 1.2224 1.2224 4.6215 4.6215 5.4419 5.4419 5.5109 5.5109 5.6001 5.6001 5.9230 5.9230 6.1065 6.1065 6.1748 6.1748 6.3072 6.3072 6.5073 6.5073 6.8194 6.8194 7.5590 7.5590 7.7455 7.7455 7.8021 7.8021 9.8598 9.8598 10.8537 10.8537 10.9707 10.9707 11.4769 11.4769 12.1639 12.1639 k = 0.2258 0.1329-0.0000 ( 3317 PWs) bands (ev): -25.5329 -25.5329 -8.3877 -8.3877 -7.2875 -7.2875 -7.2268 -7.2268 -1.2104 -1.2104 1.1432 1.1432 4.6517 4.6517 5.4417 5.4417 5.5116 5.5116 5.6005 5.6005 5.9087 5.9087 6.1029 6.1029 6.1706 6.1706 6.2995 6.2995 6.5071 6.5071 6.8193 6.8193 7.6696 7.6696 7.7428 7.7428 7.8013 7.8013 9.8351 9.8351 10.9116 10.9116 11.0274 11.0274 11.4153 11.4153 12.2732 12.2732 k = 0.2419 0.1424-0.0000 ( 3325 PWs) bands (ev): -25.5329 -25.5329 -8.3884 -8.3884 -7.2891 -7.2891 -7.2269 -7.2269 -1.1693 -1.1693 1.0629 1.0629 4.6788 4.6788 5.4415 5.4415 5.5123 5.5123 5.6009 5.6009 5.8952 5.8952 6.0992 6.0992 6.1661 6.1661 6.2918 6.2918 6.5069 6.5069 6.8192 6.8192 7.7372 7.7372 7.7908 7.7908 7.8006 7.8006 9.8115 9.8115 10.9717 10.9717 11.0864 11.0864 11.3573 11.3573 12.3870 12.3870 k = 0.2581 0.1519-0.0000 ( 3325 PWs) bands (ev): -25.5329 -25.5329 -8.3890 -8.3890 -7.2907 -7.2907 -7.2269 -7.2269 -1.1258 -1.1258 0.9817 0.9817 4.7027 4.7027 5.4414 5.4414 5.5133 5.5133 5.6012 5.6012 5.8826 5.8826 6.0954 6.0954 6.1616 6.1616 6.2840 6.2840 6.5067 6.5067 6.8191 6.8191 7.7354 7.7354 7.8001 7.8001 7.9155 7.9155 9.7893 9.7893 11.0335 11.0335 11.1472 11.1472 11.3029 11.3029 12.5049 12.5049 k = 0.2742 0.1614-0.0000 ( 3329 PWs) bands (ev): -25.5329 -25.5329 -8.3896 -8.3896 -7.2923 -7.2923 -7.2270 -7.2270 -1.0800 -1.0800 0.9000 0.9000 4.7234 4.7234 5.4412 5.4412 5.5141 5.5141 5.6016 5.6016 5.8712 5.8712 6.0918 6.0918 6.1572 6.1572 6.2763 6.2763 6.5065 6.5065 6.8190 6.8190 7.7330 7.7330 7.7999 7.7999 8.0481 8.0481 9.7685 9.7685 11.0962 11.0962 11.2094 11.2094 11.2524 11.2524 12.6268 12.6268 k = 0.2903 0.1709-0.0000 ( 3345 PWs) bands (ev): -25.5329 -25.5329 -8.3902 -8.3902 -7.2939 -7.2939 -7.2271 -7.2271 -1.0319 -1.0319 0.8180 0.8180 4.7410 4.7410 5.4408 5.4408 5.5149 5.5149 5.6020 5.6020 5.8609 5.8609 6.0882 6.0882 6.1528 6.1528 6.2685 6.2685 6.5063 6.5063 6.8188 6.8188 7.7308 7.7308 7.7999 7.7999 8.1874 8.1874 9.7491 9.7491 11.1568 11.1568 11.2084 11.2084 11.2725 11.2725 12.7525 12.7525 k = 0.3065 0.1804-0.0000 ( 3341 PWs) bands (ev): -25.5328 -25.5328 -8.3908 -8.3908 -7.2954 -7.2954 -7.2271 -7.2271 -0.9815 -0.9815 0.7360 0.7360 4.7558 4.7558 5.4407 5.4407 5.5160 5.5160 5.6023 5.6023 5.8517 5.8517 6.0847 6.0847 6.1484 6.1484 6.2612 6.2612 6.5061 6.5061 6.8187 6.8187 7.7289 7.7289 7.8000 7.8000 8.3329 8.3329 9.7312 9.7312 11.1565 11.1565 11.2294 11.2294 11.3358 11.3358 12.8819 12.8819 k = 0.3226 0.1899-0.0000 ( 3337 PWs) bands (ev): -25.5328 -25.5328 -8.3914 -8.3914 -7.2969 -7.2969 -7.2272 -7.2272 -0.9291 -0.9291 0.6541 0.6541 4.7678 4.7678 5.4406 5.4406 5.5170 5.5170 5.6027 5.6027 5.8436 5.8436 6.0814 6.0814 6.1442 6.1442 6.2543 6.2543 6.5059 6.5059 6.8186 6.8186 7.7272 7.7272 7.8004 7.8004 8.4843 8.4843 9.7147 9.7147 11.1184 11.1184 11.2914 11.2914 11.3988 11.3988 13.0147 13.0147 k = 0.3387 0.1994-0.0000 ( 3333 PWs) bands (ev): -25.5328 -25.5328 -8.3920 -8.3920 -7.2983 -7.2983 -7.2273 -7.2273 -0.8746 -0.8746 0.5725 0.5725 4.7774 4.7774 5.4406 5.4406 5.5181 5.5181 5.6030 5.6030 5.8365 5.8365 6.0782 6.0782 6.1402 6.1402 6.2476 6.2476 6.5057 6.5057 6.8185 6.8185 7.7258 7.7258 7.8008 7.8008 8.6411 8.6411 9.6998 9.6998 11.0826 11.0826 11.3537 11.3537 11.4608 11.4608 12.9705 12.9705 k = 0.3548 0.2089-0.0000 ( 3333 PWs) bands (ev): -25.5328 -25.5328 -8.3925 -8.3925 -7.2996 -7.2996 -7.2273 -7.2273 -0.8182 -0.8182 0.4915 0.4915 4.7849 4.7849 5.4405 5.4405 5.5192 5.5192 5.6033 5.6033 5.8302 5.8302 6.0752 6.0752 6.1363 6.1363 6.2414 6.2414 6.5055 6.5055 6.8184 6.8184 7.7246 7.7246 7.8014 7.8014 8.8026 8.8026 9.6862 9.6862 11.0504 11.0504 11.4143 11.4143 11.5210 11.5210 12.7436 12.7436 k = 0.3710 0.2184-0.0000 ( 3329 PWs) bands (ev): -25.5328 -25.5328 -8.3930 -8.3930 -7.3007 -7.3007 -7.2274 -7.2274 -0.7599 -0.7599 0.4111 0.4111 4.7906 4.7906 5.4405 5.4405 5.5202 5.5202 5.6036 5.6036 5.8249 5.8249 6.0724 6.0724 6.1328 6.1328 6.2356 6.2356 6.5055 6.5055 6.8184 6.8184 7.7236 7.7236 7.8020 7.8020 8.9682 8.9682 9.6742 9.6742 11.0218 11.0218 11.4721 11.4721 11.5786 11.5786 12.5176 12.5176 k = 0.3871 0.2279-0.0000 ( 3329 PWs) bands (ev): -25.5328 -25.5328 -8.3934 -8.3934 -7.3018 -7.3018 -7.2274 -7.2274 -0.7001 -0.7001 0.3317 0.3317 4.7948 4.7948 5.4404 5.4404 5.5212 5.5212 5.6038 5.6038 5.8204 5.8204 6.0699 6.0699 6.1296 6.1296 6.2304 6.2304 6.5054 6.5054 6.8183 6.8183 7.7228 7.7228 7.8027 7.8027 9.1369 9.1369 9.6636 9.6636 10.9971 10.9971 11.5262 11.5262 11.6327 11.6327 12.2944 12.2944 k = 0.4032 0.2374-0.0000 ( 3337 PWs) bands (ev): -25.5328 -25.5328 -8.3938 -8.3938 -7.3028 -7.3028 -7.2275 -7.2275 -0.6387 -0.6387 0.2533 0.2533 4.7978 4.7978 5.4404 5.4404 5.5221 5.5221 5.6040 5.6040 5.8166 5.8166 6.0676 6.0676 6.1267 6.1267 6.2255 6.2255 6.5053 6.5053 6.8182 6.8182 7.7222 7.7222 7.8033 7.8033 9.3073 9.3073 9.6544 9.6544 10.9766 10.9766 11.5750 11.5750 11.6823 11.6823 12.0761 12.0761 k = 0.4194 0.2469-0.0000 ( 3349 PWs) bands (ev): -25.5328 -25.5328 -8.3941 -8.3941 -7.3036 -7.3036 -7.2275 -7.2275 -0.5763 -0.5763 0.1764 0.1764 4.7998 4.7998 5.4403 5.4403 5.5228 5.5228 5.6042 5.6042 5.8134 5.8134 6.0656 6.0656 6.1241 6.1241 6.2215 6.2215 6.5052 6.5052 6.8181 6.8181 7.7217 7.7217 7.8040 7.8040 9.4775 9.4775 9.6467 9.6467 10.9607 10.9607 11.6157 11.6157 11.7265 11.7265 11.8666 11.8666 k = 0.4355 0.2564-0.0000 ( 3349 PWs) bands (ev): -25.5328 -25.5328 -8.3944 -8.3944 -7.3043 -7.3043 -7.2275 -7.2275 -0.5131 -0.5131 0.1014 0.1014 4.8011 4.8011 5.4403 5.4403 5.5235 5.5235 5.6043 5.6043 5.8110 5.8110 6.0640 6.0640 6.1220 6.1220 6.2182 6.2182 6.5051 6.5051 6.8181 6.8181 7.7214 7.7214 7.8045 7.8045 9.6404 9.6404 9.6442 9.6442 10.9502 10.9502 11.6141 11.6141 11.7018 11.7018 11.7643 11.7643 k = 0.4516 0.2659-0.0000 ( 3349 PWs) bands (ev): -25.5327 -25.5327 -8.3946 -8.3946 -7.3049 -7.3049 -7.2276 -7.2276 -0.4501 -0.4501 0.0292 0.0292 4.8020 4.8020 5.4403 5.4403 5.5240 5.5240 5.6045 5.6045 5.8091 5.8091 6.0627 6.0627 6.1204 6.1204 6.2156 6.2156 6.5050 6.5050 6.8180 6.8180 7.7211 7.7211 7.8050 7.8050 9.6355 9.6355 9.8016 9.8016 10.9469 10.9469 11.4540 11.4540 11.7007 11.7007 11.7948 11.7948 k = 0.4677 0.2754-0.0000 ( 3340 PWs) bands (ev): -25.5327 -25.5327 -8.3948 -8.3948 -7.3052 -7.3052 -7.2276 -7.2276 -0.3896 -0.3896 -0.0378 -0.0378 4.8025 4.8025 5.4404 5.4404 5.5246 5.5246 5.6046 5.6046 5.8078 5.8078 6.0618 6.0618 6.1192 6.1192 6.2137 6.2137 6.5050 6.5050 6.8181 6.8181 7.7210 7.7210 7.8053 7.8053 9.6320 9.6320 9.9393 9.9393 10.9548 10.9548 11.2850 11.2850 11.7199 11.7199 11.8172 11.8172 k = 0.4839 0.2848-0.0000 ( 3332 PWs) bands (ev): -25.5327 -25.5327 -8.3949 -8.3949 -7.3055 -7.3055 -7.2276 -7.2276 -0.3382 -0.3382 -0.0932 -0.0932 4.8027 4.8027 5.4404 5.4404 5.5248 5.5248 5.6046 5.6046 5.8071 5.8071 6.0614 6.0614 6.1185 6.1185 6.2126 6.2126 6.5050 6.5050 6.8180 6.8180 7.7209 7.7209 7.8055 7.8055 9.6299 9.6299 10.0389 10.0389 10.9819 10.9819 11.1431 11.1431 11.7327 11.7327 11.8309 11.8309 k = 0.5000 0.2943-0.0000 ( 3332 PWs) bands (ev): -25.5327 -25.5327 -8.3949 -8.3949 -7.3056 -7.3056 -7.2276 -7.2276 -0.3148 -0.3148 -0.1180 -0.1180 4.8028 4.8028 5.4404 5.4404 5.5249 5.5249 5.6046 5.6046 5.8069 5.8069 6.0612 6.0612 6.1183 6.1183 6.2122 6.2122 6.5050 6.5050 6.8180 6.8180 7.7209 7.7209 7.8056 7.8056 9.6292 9.6292 10.0765 10.0765 11.0396 11.0396 11.0428 11.0428 11.7371 11.7371 11.8355 11.8355 k = 0.5000 0.2943-0.0000 ( 3332 PWs) bands (ev): -25.5327 -25.5327 -8.3949 -8.3949 -7.3056 -7.3056 -7.2276 -7.2276 -0.3148 -0.3148 -0.1180 -0.1180 4.8028 4.8028 5.4404 5.4404 5.5249 5.5249 5.6046 5.6046 5.8069 5.8069 6.0612 6.0612 6.1183 6.1183 6.2122 6.2122 6.5050 6.5050 6.8180 6.8180 7.7209 7.7209 7.8056 7.8056 9.6292 9.6292 10.0765 10.0765 11.0396 11.0396 11.0428 11.0428 11.7371 11.7371 11.8355 11.8355 k = 0.4933 0.3057 0.0131 ( 3328 PWs) bands (ev): -25.5327 -25.5327 -8.3949 -8.3949 -7.3056 -7.3056 -7.2278 -7.2278 -0.3138 -0.3138 -0.1172 -0.1172 4.8034 4.8034 5.4403 5.4403 5.5247 5.5247 5.6051 5.6051 5.8071 5.8071 6.0604 6.0604 6.1170 6.1170 6.2129 6.2129 6.5045 6.5045 6.8164 6.8164 7.7155 7.7155 7.8015 7.8015 9.6385 9.6385 10.0767 10.0767 11.0354 11.0354 11.0463 11.0463 11.7378 11.7378 11.8357 11.8357 k = 0.4867 0.3170 0.0263 ( 3332 PWs) bands (ev): -25.5327 -25.5327 -8.3951 -8.3951 -7.3056 -7.3056 -7.2282 -7.2282 -0.3108 -0.3108 -0.1149 -0.1149 4.8048 4.8048 5.4401 5.4401 5.5242 5.5242 5.6066 5.6066 5.8077 5.8077 6.0581 6.0581 6.1131 6.1131 6.2149 6.2149 6.5032 6.5032 6.8113 6.8113 7.6939 7.6939 7.7956 7.7956 9.6653 9.6653 10.0776 10.0776 11.0139 11.0139 11.0663 11.0663 11.7399 11.7399 11.8363 11.8363 k = 0.4800 0.3283 0.0394 ( 3340 PWs) bands (ev): -25.5326 -25.5326 -8.3954 -8.3954 -7.3056 -7.3056 -7.2290 -7.2290 -0.3059 -0.3059 -0.1111 -0.1111 4.8072 4.8072 5.4397 5.4397 5.5235 5.5235 5.6089 5.6089 5.8086 5.8086 6.0541 6.0541 6.1070 6.1070 6.2179 6.2179 6.5010 6.5010 6.8029 6.8029 7.6489 7.6489 7.7978 7.7978 9.7067 9.7067 10.0791 10.0791 10.9785 10.9785 11.0998 11.0998 11.7434 11.7434 11.8377 11.8377 k = 0.4733 0.3396 0.0526 ( 3340 PWs) bands (ev): -25.5326 -25.5326 -8.3957 -8.3957 -7.3057 -7.3057 -7.2301 -7.2301 -0.2990 -0.2990 -0.1058 -0.1058 4.8105 4.8105 5.4393 5.4393 5.5225 5.5225 5.6121 5.6121 5.8098 5.8098 6.0483 6.0483 6.0993 6.0993 6.2216 6.2216 6.4979 6.4979 6.7918 6.7918 7.5831 7.5831 7.8088 7.8088 9.7584 9.7584 10.0815 10.0815 10.9302 10.9302 11.1468 11.1468 11.7483 11.7483 11.8400 11.8400 k = 0.4667 0.3510 0.0657 ( 3340 PWs) bands (ev): -25.5325 -25.5325 -8.3962 -8.3962 -7.3058 -7.3058 -7.2314 -7.2314 -0.2901 -0.2901 -0.0990 -0.0990 4.8146 4.8146 5.4387 5.4387 5.5214 5.5214 5.6161 5.6161 5.8112 5.8112 6.0404 6.0404 6.0903 6.0903 6.2256 6.2256 6.4940 6.4940 6.7781 6.7781 7.5028 7.5028 7.8259 7.8259 9.8157 9.8157 10.0853 10.0853 10.8701 10.8701 11.2075 11.2075 11.7547 11.7547 11.8438 11.8438 k = 0.4600 0.3623 0.0789 ( 3338 PWs) bands (ev): -25.5324 -25.5324 -8.3968 -8.3968 -7.3059 -7.3059 -7.2330 -7.2330 -0.2793 -0.2793 -0.0909 -0.0909 4.8195 4.8195 5.4380 5.4380 5.5203 5.5203 5.6209 5.6209 5.8125 5.8125 6.0301 6.0301 6.0807 6.0807 6.2298 6.2298 6.4892 6.4892 6.7623 6.7623 7.4130 7.4130 7.8477 7.8477 9.8737 9.8737 10.0919 10.0919 10.7995 10.7995 11.2816 11.2816 11.7624 11.7624 11.8493 11.8493 k = 0.4533 0.3736 0.0920 ( 3334 PWs) bands (ev): -25.5322 -25.5322 -8.3975 -8.3975 -7.3062 -7.3062 -7.2347 -7.2347 -0.2665 -0.2665 -0.0815 -0.0815 4.8249 4.8249 5.4373 5.4373 5.5193 5.5193 5.6263 5.6263 5.8135 5.8135 6.0169 6.0169 6.0707 6.0707 6.2339 6.2339 6.4834 6.4834 6.7448 6.7448 7.3176 7.3176 7.8729 7.8729 9.9263 9.9263 10.1042 10.1042 10.7200 10.7200 11.3684 11.3684 11.7710 11.7710 11.8570 11.8570 k = 0.4467 0.3849 0.1051 ( 3334 PWs) bands (ev): -25.5321 -25.5321 -8.3982 -8.3982 -7.3065 -7.3065 -7.2366 -7.2366 -0.2518 -0.2518 -0.0709 -0.0709 4.8308 4.8308 5.4365 5.4365 5.5183 5.5183 5.6323 5.6323 5.8140 5.8140 6.0008 6.0008 6.0609 6.0609 6.2377 6.2377 6.4767 6.4767 6.7260 6.7260 7.2199 7.2199 7.9011 7.9011 9.9662 9.9662 10.1277 10.1277 10.6330 10.6330 11.4671 11.4671 11.7800 11.7800 11.8673 11.8673 k = 0.4400 0.3963 0.1183 ( 3334 PWs) bands (ev): -25.5319 -25.5319 -8.3991 -8.3991 -7.3070 -7.3070 -7.2386 -7.2386 -0.2352 -0.2352 -0.0593 -0.0593 4.8370 4.8370 5.4356 5.4356 5.5175 5.5175 5.6389 5.6389 5.8133 5.8133 5.9817 5.9817 6.0511 6.0511 6.2413 6.2413 6.4691 6.4691 6.7062 6.7062 7.1224 7.1224 7.9315 7.9315 9.9883 9.9883 10.1659 10.1659 10.5399 10.5399 11.5764 11.5764 11.7888 11.7888 11.8807 11.8807 k = 0.4333 0.4076 0.1314 ( 3334 PWs) bands (ev): -25.5317 -25.5317 -8.4001 -8.4001 -7.3077 -7.3077 -7.2406 -7.2406 -0.2167 -0.2167 -0.0466 -0.0466 4.8431 4.8431 5.4347 5.4347 5.5170 5.5170 5.6458 5.6458 5.8108 5.8108 5.9600 5.9600 6.0418 6.0418 6.2445 6.2445 6.4605 6.4605 6.6857 6.6857 7.0276 7.0276 7.9638 7.9638 9.9950 9.9950 10.2152 10.2152 10.4422 10.4422 11.6944 11.6944 11.7970 11.7970 11.8977 11.8977 k = 0.4267 0.4189 0.1446 ( 3330 PWs) bands (ev): -25.5315 -25.5315 -8.4011 -8.4011 -7.3086 -7.3086 -7.2425 -7.2425 -0.1963 -0.1963 -0.0332 -0.0332 4.8491 4.8491 5.4339 5.4339 5.5167 5.5167 5.6527 5.6527 5.8052 5.8052 5.9370 5.9370 6.0328 6.0328 6.2473 6.2473 6.4509 6.4509 6.6648 6.6648 6.9373 6.9373 7.9977 7.9977 9.9913 9.9913 10.2691 10.2691 10.3421 10.3421 11.7990 11.7990 11.8241 11.8241 11.9186 11.9186 k = 0.4200 0.4302 0.1577 ( 3334 PWs) bands (ev): -25.5313 -25.5313 -8.4022 -8.4022 -7.3098 -7.3098 -7.2444 -7.2444 -0.1740 -0.1740 -0.0191 -0.0191 4.8542 4.8542 5.4329 5.4329 5.5167 5.5167 5.6594 5.6594 5.7948 5.7948 5.9143 5.9143 6.0243 6.0243 6.2495 6.2495 6.4402 6.4402 6.6438 6.6438 6.8532 6.8532 8.0327 8.0327 9.9801 9.9801 10.2339 10.2339 10.3312 10.3312 11.8067 11.8067 11.9353 11.9353 11.9595 11.9595 k = 0.4133 0.4416 0.1708 ( 3334 PWs) bands (ev): -25.5311 -25.5311 -8.4034 -8.4034 -7.3112 -7.3112 -7.2461 -7.2461 -0.1498 -0.1498 -0.0045 -0.0045 4.8581 4.8581 5.4321 5.4321 5.5171 5.5171 5.6649 5.6649 5.7782 5.7782 5.8944 5.8944 6.0164 6.0164 6.2513 6.2513 6.4284 6.4284 6.6227 6.6227 6.7767 6.7767 8.0685 8.0685 9.9618 9.9618 10.1296 10.1296 10.3895 10.3895 11.8094 11.8094 11.9678 11.9678 12.0887 12.0887 k = 0.4067 0.4529 0.1840 ( 3336 PWs) bands (ev): -25.5309 -25.5309 -8.4047 -8.4047 -7.3130 -7.3130 -7.2476 -7.2476 -0.1239 -0.1239 0.0104 0.0104 4.8602 4.8602 5.4313 5.4313 5.5176 5.5176 5.6667 5.6667 5.7566 5.7566 5.8786 5.8786 6.0093 6.0093 6.2525 6.2525 6.4156 6.4156 6.6018 6.6018 6.7086 6.7086 8.1051 8.1051 9.9344 9.9344 10.0265 10.0265 10.4497 10.4497 11.8093 11.8093 11.9988 11.9988 12.2229 12.2229 k = 0.4000 0.4642 0.1971 ( 3332 PWs) bands (ev): -25.5307 -25.5307 -8.4060 -8.4060 -7.3150 -7.3150 -7.2488 -7.2488 -0.0961 -0.0961 0.0254 0.0254 4.8598 4.8598 5.4308 5.4308 5.5182 5.5182 5.6595 5.6595 5.7376 5.7376 5.8664 5.8664 6.0034 6.0034 6.2531 6.2531 6.4017 6.4017 6.5810 6.5810 6.6492 6.6492 8.1420 8.1420 9.8825 9.8825 9.9412 9.9412 10.5108 10.5108 11.8059 11.8059 12.0326 12.0326 12.3501 12.3501 k = 0.3933 0.4755 0.2103 ( 3334 PWs) bands (ev): -25.5304 -25.5304 -8.4074 -8.4074 -7.3174 -7.3174 -7.2498 -7.2498 -0.0666 -0.0666 0.0404 0.0404 4.8558 4.8558 5.4303 5.4303 5.5183 5.5183 5.6376 5.6376 5.7296 5.7296 5.8563 5.8563 5.9986 5.9986 6.2531 6.2531 6.3867 6.3867 6.5603 6.5603 6.5987 6.5987 8.1792 8.1792 9.7887 9.7887 9.8915 9.8915 10.5731 10.5731 11.7988 11.7988 12.0693 12.0693 12.4396 12.4396 k = 0.3867 0.4869 0.2234 ( 3338 PWs) bands (ev): -25.5302 -25.5302 -8.4089 -8.4089 -7.3200 -7.3200 -7.2505 -7.2505 -0.0354 -0.0354 0.0550 0.0550 4.8473 4.8473 5.4301 5.4301 5.5168 5.5168 5.6072 5.6072 5.7308 5.7308 5.8472 5.8472 5.9951 5.9951 6.2524 6.2524 6.3708 6.3708 6.5392 6.5392 6.5570 6.5570 8.2165 8.2165 9.6831 9.6831 9.8478 9.8478 10.6365 10.6365 11.7871 11.7871 12.1088 12.1088 12.4437 12.4437 k = 0.3800 0.4982 0.2366 ( 3334 PWs) bands (ev): -25.5299 -25.5299 -8.4104 -8.4104 -7.3229 -7.3229 -7.2509 -7.2509 -0.0026 -0.0026 0.0691 0.0691 4.8333 4.8333 5.4303 5.4303 5.5109 5.5109 5.5796 5.5796 5.7355 5.7355 5.8387 5.8387 5.9928 5.9928 6.2511 6.2511 6.3541 6.3541 6.5144 6.5144 6.5266 6.5266 8.2537 8.2537 9.5759 9.5759 9.8004 9.8004 10.7013 10.7013 11.7700 11.7700 12.1511 12.1511 12.4118 12.4118 k = 0.3733 0.5095 0.2497 ( 3342 PWs) bands (ev): -25.5297 -25.5297 -8.4119 -8.4119 -7.3260 -7.3260 -7.2511 -7.2511 0.0315 0.0315 0.0828 0.0828 4.8131 4.8131 5.4307 5.4307 5.4966 5.4966 5.5634 5.5634 5.7404 5.7404 5.8312 5.8312 5.9917 5.9917 6.2491 6.2491 6.3369 6.3369 6.4869 6.4869 6.5053 6.5053 8.2907 8.2907 9.4688 9.4688 9.7479 9.7479 10.7675 10.7675 11.7468 11.7468 12.1960 12.1960 12.3799 12.3799 k = 0.3667 0.5209 0.2628 ( 3350 PWs) bands (ev): -25.5294 -25.5294 -8.4134 -8.4134 -7.3293 -7.3293 -7.2511 -7.2511 0.0662 0.0662 0.0963 0.0963 4.7862 4.7862 5.4315 5.4315 5.4768 5.4768 5.5585 5.5585 5.7434 5.7434 5.8259 5.8259 5.9914 5.9914 6.2464 6.2464 6.3198 6.3198 6.4624 6.4624 6.4864 6.4864 8.3275 8.3275 9.3624 9.3624 9.6904 9.6904 10.8353 10.8353 11.7167 11.7167 12.2433 12.2433 12.3553 12.3553 k = 0.3600 0.5322 0.2760 ( 3350 PWs) bands (ev): -25.5292 -25.5292 -8.4149 -8.4149 -7.3326 -7.3326 -7.2508 -7.2508 0.0953 0.0953 0.1157 0.1157 4.7530 4.7530 5.4327 5.4327 5.4583 5.4583 5.5594 5.5594 5.7428 5.7428 5.8243 5.8243 5.9918 5.9918 6.2431 6.2431 6.3029 6.3029 6.4412 6.4412 6.4685 6.4685 8.3640 8.3640 9.2573 9.2573 9.6282 9.6282 10.9047 10.9047 11.6791 11.6791 12.2924 12.2924 12.3401 12.3401 k = 0.3533 0.5435 0.2891 ( 3343 PWs) bands (ev): -25.5289 -25.5289 -8.4164 -8.4164 -7.3360 -7.3360 -7.2505 -7.2505 0.1093 0.1093 0.1501 0.1501 4.7144 4.7144 5.4344 5.4344 5.4446 5.4446 5.5630 5.5630 5.7377 5.7377 5.8271 5.8271 5.9927 5.9927 6.2390 6.2390 6.2867 6.2867 6.4228 6.4228 6.4517 6.4517 8.4001 8.4001 9.1537 9.1537 9.5618 9.5618 10.9757 10.9757 11.6338 11.6338 12.3269 12.3269 12.3508 12.3508 k = 0.3467 0.5548 0.3023 ( 3339 PWs) bands (ev): -25.5287 -25.5287 -8.4179 -8.4179 -7.3394 -7.3394 -7.2499 -7.2499 0.1173 0.1173 0.1899 0.1899 4.6719 4.6719 5.4359 5.4359 5.4369 5.4369 5.5682 5.5682 5.7288 5.7288 5.8337 5.8337 5.9938 5.9938 6.2341 6.2341 6.2711 6.2711 6.4062 6.4062 6.4361 6.4361 8.4357 8.4357 9.0516 9.0516 9.4919 9.4919 11.0481 11.0481 11.5808 11.5808 12.3310 12.3310 12.4018 12.4018 k = 0.3400 0.5662 0.3154 ( 3335 PWs) bands (ev): -25.5285 -25.5285 -8.4194 -8.4194 -7.3427 -7.3427 -7.2493 -7.2493 0.1224 0.1224 0.2318 0.2318 4.6270 4.6270 5.4327 5.4327 5.4392 5.4392 5.5744 5.5744 5.7174 5.7174 5.8427 5.8427 5.9950 5.9950 6.2285 6.2285 6.2565 6.2565 6.3908 6.3908 6.4220 6.4220 8.4710 8.4710 8.9514 8.9514 9.4192 9.4192 11.1221 11.1221 11.5204 11.5204 12.3406 12.3406 12.4510 12.4510 k = 0.3333 0.5775 0.3286 ( 3329 PWs) bands (ev): -25.5283 -25.5283 -8.4208 -8.4208 -7.3459 -7.3459 -7.2486 -7.2486 0.1248 0.1248 0.2754 0.2754 4.5814 4.5814 5.4333 5.4333 5.4425 5.4425 5.5814 5.5814 5.7044 5.7044 5.8533 5.8533 5.9959 5.9959 6.2219 6.2219 6.2429 6.2429 6.3758 6.3758 6.4100 6.4100 8.5058 8.5058 8.8532 8.8532 9.3446 9.3446 11.1970 11.1970 11.4534 11.4534 12.3565 12.3565 12.4344 12.4344 k = 0.3267 0.5888 0.3417 ( 3321 PWs) bands (ev): -25.5280 -25.5280 -8.4222 -8.4222 -7.3490 -7.3490 -7.2478 -7.2478 0.1243 0.1243 0.3203 0.3203 4.5366 4.5366 5.4371 5.4371 5.4462 5.4462 5.5891 5.5891 5.6908 5.6908 5.8647 5.8647 5.9966 5.9966 6.2145 6.2145 6.2308 6.2308 6.3607 6.3607 6.4003 6.4003 8.5401 8.5401 8.7571 8.7571 9.2686 9.2686 11.2712 11.2712 11.3823 11.3823 12.3619 12.3619 12.3909 12.3909 k = 0.3200 0.6001 0.3548 ( 3323 PWs) bands (ev): -25.5278 -25.5278 -8.4235 -8.4235 -7.3520 -7.3520 -7.2470 -7.2470 0.1208 0.1208 0.3664 0.3664 4.4937 4.4937 5.4429 5.4429 5.4506 5.4506 5.5972 5.5972 5.6770 5.6770 5.8765 5.8765 5.9969 5.9969 6.2061 6.2061 6.2201 6.2201 6.3455 6.3455 6.3929 6.3929 8.5732 8.5732 8.6639 8.6639 9.1920 9.1920 11.2891 11.2891 11.3631 11.3631 12.3061 12.3061 12.4143 12.4143 k = 0.3133 0.6115 0.3680 ( 3323 PWs) bands (ev): -25.5277 -25.5277 -8.4247 -8.4247 -7.3547 -7.3547 -7.2462 -7.2462 0.1141 0.1141 0.4138 0.4138 4.4539 4.4539 5.4497 5.4497 5.4558 5.4558 5.6055 5.6055 5.6637 5.6637 5.8882 5.8882 5.9968 5.9968 6.1968 6.1968 6.2112 6.2112 6.3301 6.3301 6.3877 6.3877 8.5658 8.5658 8.6131 8.6131 9.1155 9.1155 11.2107 11.2107 11.4367 11.4367 12.2471 12.2471 12.4493 12.4493 k = 0.3067 0.6228 0.3811 ( 3315 PWs) bands (ev): -25.5275 -25.5275 -8.4258 -8.4258 -7.3572 -7.3572 -7.2454 -7.2454 0.1041 0.1041 0.4621 0.4621 4.4179 4.4179 5.4565 5.4565 5.4623 5.4623 5.6133 5.6133 5.6517 5.6517 5.8993 5.8993 5.9965 5.9965 6.1872 6.1872 6.2039 6.2039 6.3147 6.3147 6.3847 6.3847 8.4787 8.4787 8.6439 8.6439 9.0396 9.0396 11.1235 11.1235 11.5160 11.5160 12.1909 12.1909 12.4899 12.4899 k = 0.3000 0.6341 0.3943 ( 3319 PWs) bands (ev): -25.5273 -25.5273 -8.4268 -8.4268 -7.3595 -7.3595 -7.2446 -7.2446 0.0906 0.0906 0.5114 0.5114 4.3862 4.3862 5.4625 5.4625 5.4699 5.4699 5.6179 5.6179 5.6441 5.6441 5.9090 5.9090 5.9963 5.9963 6.1775 6.1775 6.1981 6.1981 6.2995 6.2995 6.3834 6.3834 8.3914 8.3914 8.6770 8.6770 8.9650 8.9650 11.0326 11.0326 11.5965 11.5965 12.1379 12.1379 12.5352 12.5352 k = 0.2933 0.6454 0.4074 ( 3319 PWs) bands (ev): -25.5272 -25.5272 -8.4277 -8.4277 -7.3614 -7.3614 -7.2438 -7.2438 0.0735 0.0735 0.5616 0.5616 4.3593 4.3593 5.4681 5.4681 5.4776 5.4776 5.6145 5.6145 5.6458 5.6458 5.9165 5.9165 5.9972 5.9972 6.1681 6.1681 6.1939 6.1939 6.2846 6.2846 6.3840 6.3840 8.3061 8.3061 8.7104 8.7104 8.8921 8.8921 10.9390 10.9390 11.6775 11.6775 12.0882 12.0882 12.5848 12.5848 k = 0.2933 0.6454 0.4074 ( 3319 PWs) bands (ev): -25.5272 -25.5272 -8.4277 -8.4277 -7.3614 -7.3614 -7.2438 -7.2438 0.0735 0.0735 0.5616 0.5616 4.3593 4.3593 5.4681 5.4681 5.4776 5.4776 5.6145 5.6145 5.6458 5.6458 5.9165 5.9165 5.9972 5.9972 6.1681 6.1681 6.1939 6.1939 6.2846 6.2846 6.3840 6.3840 8.3061 8.3061 8.7104 8.7104 8.8921 8.8921 10.9390 10.9390 11.6775 11.6775 12.0882 12.0882 12.5848 12.5848 k = 0.2761 0.6411 0.4124 ( 3322 PWs) bands (ev): -25.5272 -25.5272 -8.4280 -8.4280 -7.3621 -7.3621 -7.2435 -7.2435 0.0645 0.0645 0.5826 0.5826 4.3525 4.3525 5.4587 5.4587 5.4907 5.4907 5.6097 5.6097 5.6504 5.6504 5.9186 5.9186 5.9979 5.9979 6.1644 6.1644 6.1929 6.1929 6.2790 6.2790 6.3850 6.3850 8.2546 8.2546 8.7234 8.7234 8.8864 8.8864 10.9017 10.9017 11.7068 11.7068 12.0673 12.0673 12.5522 12.5522 k = 0.2588 0.6368 0.4175 ( 3322 PWs) bands (ev): -25.5271 -25.5271 -8.4282 -8.4282 -7.3628 -7.3628 -7.2432 -7.2432 0.0525 0.0525 0.6061 0.6061 4.3507 4.3507 5.4439 5.4439 5.5063 5.5063 5.6023 5.6023 5.6580 5.6580 5.9200 5.9200 5.9989 5.9989 6.1605 6.1605 6.1926 6.1926 6.2734 6.2734 6.3872 6.3872 8.1729 8.1729 8.7368 8.7368 8.9161 8.9161 10.8630 10.8630 11.7308 11.7308 12.0430 12.0430 12.4689 12.4689 k = 0.2416 0.6324 0.4225 ( 3317 PWs) bands (ev): -25.5271 -25.5271 -8.4285 -8.4285 -7.3633 -7.3633 -7.2429 -7.2429 0.0388 0.0388 0.6308 0.6308 4.3541 4.3541 5.4270 5.4270 5.5211 5.5211 5.5941 5.5941 5.6667 5.6667 5.9204 5.9204 6.0003 6.0003 6.1565 6.1565 6.1926 6.1926 6.2679 6.2679 6.3905 6.3905 8.0744 8.0744 8.7506 8.7506 8.9683 8.9683 10.8236 10.8236 11.7438 11.7438 12.0184 12.0184 12.3820 12.3820 k = 0.2243 0.6281 0.4275 ( 3320 PWs) bands (ev): -25.5270 -25.5270 -8.4287 -8.4287 -7.3639 -7.3639 -7.2426 -7.2426 0.0243 0.0243 0.6556 0.6556 4.3625 4.3625 5.4077 5.4077 5.5350 5.5350 5.5858 5.5858 5.6761 5.6761 5.9198 5.9198 6.0021 6.0021 6.1525 6.1525 6.1928 6.1928 6.2626 6.2626 6.3951 6.3951 7.9687 7.9687 8.7646 8.7646 9.0335 9.0335 10.7844 10.7844 11.7362 11.7362 11.9982 11.9982 12.3087 12.3087 k = 0.2070 0.6238 0.4325 ( 3321 PWs) bands (ev): -25.5270 -25.5270 -8.4289 -8.4289 -7.3643 -7.3643 -7.2423 -7.2423 0.0096 0.0096 0.6800 0.6800 4.3760 4.3760 5.3859 5.3859 5.5476 5.5476 5.5781 5.5781 5.6858 5.6858 5.9180 5.9180 6.0045 6.0045 6.1483 6.1483 6.1932 6.1932 6.2574 6.2574 6.4010 6.4010 7.8616 7.8616 8.7786 8.7786 9.1066 9.1066 10.7460 10.7460 11.6991 11.6991 11.9875 11.9875 12.2571 12.2571 k = 0.1898 0.6195 0.4375 ( 3325 PWs) bands (ev): -25.5270 -25.5270 -8.4291 -8.4291 -7.3648 -7.3648 -7.2419 -7.2419 -0.0049 -0.0049 0.7033 0.7033 4.3945 4.3945 5.3615 5.3615 5.5573 5.5573 5.5727 5.5727 5.6957 5.6957 5.9150 5.9150 6.0077 6.0077 6.1441 6.1441 6.1935 6.1935 6.2524 6.2524 6.4083 6.4083 7.7562 7.7562 8.7924 8.7924 9.1847 9.1847 10.7090 10.7090 11.6332 11.6332 11.9841 11.9841 12.2298 12.2298 k = 0.1725 0.6151 0.4426 ( 3321 PWs) bands (ev): -25.5269 -25.5269 -8.4292 -8.4292 -7.3652 -7.3652 -7.2416 -7.2416 -0.0188 -0.0188 0.7251 0.7251 4.4176 4.4176 5.3343 5.3343 5.5575 5.5575 5.5763 5.5763 5.7058 5.7058 5.9108 5.9108 6.0114 6.0114 6.1400 6.1400 6.1937 6.1937 6.2478 6.2478 6.4171 6.4171 7.6545 7.6545 8.8059 8.8059 9.2660 9.2660 10.6737 10.6737 11.5474 11.5474 11.9814 11.9814 12.2251 12.2251 k = 0.1553 0.6108 0.4476 ( 3324 PWs) bands (ev): -25.5269 -25.5269 -8.4293 -8.4293 -7.3655 -7.3655 -7.2413 -7.2413 -0.0319 -0.0319 0.7452 0.7452 4.4453 4.4453 5.3041 5.3041 5.5520 5.5520 5.5852 5.5852 5.7161 5.7161 5.9056 5.9056 6.0157 6.0157 6.1357 6.1357 6.1937 6.1937 6.2436 6.2436 6.4271 6.4271 7.5579 7.5579 8.8189 8.8189 9.3493 9.3493 10.6406 10.6406 11.4506 11.4506 11.9757 11.9757 12.2382 12.2382 k = 0.1380 0.6065 0.4526 ( 3326 PWs) bands (ev): -25.5269 -25.5269 -8.4295 -8.4295 -7.3658 -7.3658 -7.2410 -7.2410 -0.0439 -0.0439 0.7634 0.7634 4.4770 4.4770 5.2711 5.2711 5.5461 5.5461 5.5941 5.5941 5.7264 5.7264 5.8994 5.8994 6.0205 6.0205 6.1314 6.1314 6.1935 6.1935 6.2397 6.2397 6.4384 6.4384 7.4676 7.4676 8.8312 8.8312 9.4337 9.4337 10.6101 10.6101 11.3488 11.3488 11.9673 11.9673 12.2625 12.2625 k = 0.1208 0.6021 0.4576 ( 3326 PWs) bands (ev): -25.5269 -25.5269 -8.4296 -8.4296 -7.3661 -7.3661 -7.2407 -7.2407 -0.0547 -0.0547 0.7795 0.7795 4.5124 4.5124 5.2354 5.2354 5.5406 5.5406 5.6023 5.6023 5.7368 5.7368 5.8925 5.8925 6.0255 6.0255 6.1271 6.1271 6.1932 6.1932 6.2364 6.2364 6.4507 6.4507 7.3843 7.3843 8.8426 8.8426 9.5182 9.5182 10.5825 10.5825 11.2458 11.2458 11.9578 11.9578 12.2927 12.2927 k = 0.1035 0.5978 0.4627 ( 3319 PWs) bands (ev): -25.5269 -25.5269 -8.4296 -8.4296 -7.3663 -7.3663 -7.2405 -7.2405 -0.0642 -0.0642 0.7936 0.7936 4.5508 4.5508 5.1974 5.1974 5.5357 5.5357 5.6095 5.6095 5.7473 5.7473 5.8849 5.8849 6.0307 6.0307 6.1229 6.1229 6.1927 6.1927 6.2336 6.2336 6.4639 6.4639 7.3089 7.3089 8.8530 8.8530 9.6018 9.6018 10.5581 10.5581 11.1445 11.1445 11.9484 11.9484 12.3249 12.3249 k = 0.0863 0.5935 0.4677 ( 3315 PWs) bands (ev): -25.5268 -25.5268 -8.4297 -8.4297 -7.3665 -7.3665 -7.2403 -7.2403 -0.0724 -0.0724 0.8055 0.8055 4.5913 4.5913 5.1575 5.1575 5.5316 5.5316 5.6156 5.6156 5.7575 5.7575 5.8769 5.8769 6.0359 6.0359 6.1186 6.1186 6.1921 6.1921 6.2312 6.2312 6.4774 6.4774 7.2422 7.2422 8.8621 8.8621 9.6830 9.6830 10.5371 10.5371 11.0472 11.0472 11.9397 11.9397 12.3561 12.3561 k = 0.0690 0.5892 0.4727 ( 3317 PWs) bands (ev): -25.5268 -25.5268 -8.4298 -8.4298 -7.3667 -7.3667 -7.2401 -7.2401 -0.0791 -0.0791 0.8152 0.8152 4.6328 4.6328 5.1168 5.1168 5.5282 5.5282 5.6206 5.6206 5.7675 5.7675 5.8687 5.8687 6.0408 6.0408 6.1145 6.1145 6.1915 6.1915 6.2294 6.2294 6.4905 6.4905 7.1852 7.1852 8.8698 8.8698 9.7597 9.7597 10.5199 10.5199 10.9565 10.9565 11.9324 11.9324 12.3845 12.3845 k = 0.0518 0.5848 0.4777 ( 3320 PWs) bands (ev): -25.5268 -25.5268 -8.4298 -8.4298 -7.3668 -7.3668 -7.2400 -7.2400 -0.0844 -0.0844 0.8228 0.8228 4.6734 4.6734 5.0769 5.0769 5.5255 5.5255 5.6245 5.6245 5.7769 5.7769 5.8606 5.8606 6.0453 6.0453 6.1108 6.1108 6.1909 6.1909 6.2279 6.2279 6.5024 6.5024 7.1389 7.1389 8.8760 8.8760 9.8288 9.8288 10.5065 10.5065 10.8761 10.8761 11.9265 11.9265 12.4083 12.4083 k = 0.0345 0.5805 0.4828 ( 3324 PWs) bands (ev): -25.5268 -25.5268 -8.4298 -8.4298 -7.3669 -7.3669 -7.2399 -7.2399 -0.0882 -0.0882 0.8281 0.8281 4.7102 4.7102 5.0407 5.0407 5.5236 5.5236 5.6273 5.6273 5.7852 5.7852 5.8534 5.8534 6.0489 6.0489 6.1077 6.1077 6.1904 6.1904 6.2269 6.2269 6.5121 6.5121 7.1045 7.1045 8.8804 8.8804 9.8854 9.8854 10.4972 10.4972 10.8108 10.8108 11.9222 11.9222 12.4262 12.4262 k = 0.0173 0.5762 0.4878 ( 3322 PWs) bands (ev): -25.5268 -25.5268 -8.4299 -8.4299 -7.3670 -7.3670 -7.2398 -7.2398 -0.0905 -0.0905 0.8314 0.8314 4.7377 4.7377 5.0136 5.0136 5.5224 5.5224 5.6290 5.6290 5.7912 5.7912 5.8479 5.8479 6.0513 6.0513 6.1056 6.1056 6.1901 6.1901 6.2263 6.2263 6.5186 6.5186 7.0833 7.0833 8.8832 8.8832 9.9236 9.9236 10.4919 10.4919 10.7672 10.7672 11.9196 11.9196 12.4374 12.4374 k = 0.0000 0.5718 0.4928 ( 3322 PWs) bands (ev): -25.5268 -25.5268 -8.4299 -8.4299 -7.3670 -7.3670 -7.2398 -7.2398 -0.0913 -0.0913 0.8325 0.8325 4.7484 4.7484 5.0031 5.0031 5.5220 5.5220 5.6295 5.6295 5.7935 5.7935 5.8458 5.8458 6.0522 6.0522 6.1049 6.1049 6.1900 6.1900 6.2261 6.2261 6.5209 6.5209 7.0761 7.0761 8.8841 8.8841 9.9373 9.9373 10.4902 10.4902 10.7516 10.7516 11.9187 11.9187 12.4412 12.4412 k = 0.0000 0.5718 0.4928 ( 3322 PWs) bands (ev): -25.5268 -25.5268 -8.4299 -8.4299 -7.3670 -7.3670 -7.2398 -7.2398 -0.0913 -0.0913 0.8325 0.8325 4.7484 4.7484 5.0031 5.0031 5.5220 5.5220 5.6295 5.6295 5.7935 5.7935 5.8458 5.8458 6.0522 6.0522 6.1049 6.1049 6.1900 6.1900 6.2261 6.2261 6.5209 6.5209 7.0761 7.0761 8.8841 8.8841 9.9373 9.9373 10.4902 10.4902 10.7516 10.7516 11.9187 11.9187 12.4412 12.4412 k = 0.0068 0.5604 0.5061 ( 3328 PWs) bands (ev): -25.5268 -25.5268 -8.4299 -8.4299 -7.3669 -7.3669 -7.2399 -7.2399 -0.0910 -0.0910 0.8335 0.8335 4.7481 4.7481 5.0008 5.0008 5.5234 5.5234 5.6301 5.6301 5.7937 5.7937 5.8462 5.8462 6.0517 6.0517 6.1049 6.1049 6.1904 6.1904 6.2270 6.2270 6.5205 6.5205 7.0765 7.0765 8.8797 8.8797 9.9316 9.9316 10.4628 10.4628 10.7565 10.7565 11.9451 11.9451 12.4474 12.4474 k = 0.0135 0.5489 0.5194 ( 3328 PWs) bands (ev): -25.5268 -25.5268 -8.4300 -8.4300 -7.3668 -7.3668 -7.2404 -7.2404 -0.0902 -0.0902 0.8368 0.8368 4.7473 4.7473 4.9939 4.9939 5.5273 5.5273 5.6320 5.6320 5.7945 5.7945 5.8474 5.8474 6.0502 6.0502 6.1052 6.1052 6.1917 6.1917 6.2296 6.2296 6.5196 6.5196 7.0779 7.0779 8.8665 8.8665 9.9148 9.9148 10.3895 10.3895 10.7672 10.7672 12.0199 12.0199 12.4661 12.4661 k = 0.0203 0.5374 0.5328 ( 3326 PWs) bands (ev): -25.5267 -25.5267 -8.4301 -8.4301 -7.3665 -7.3665 -7.2413 -7.2413 -0.0889 -0.0889 0.8421 0.8421 4.7458 4.7458 4.9826 4.9826 5.5336 5.5336 5.6352 5.6352 5.7959 5.7959 5.8493 5.8493 6.0481 6.0481 6.1056 6.1056 6.1940 6.1940 6.2337 6.2337 6.5181 6.5181 7.0801 7.0801 8.8450 8.8450 9.8873 9.8873 10.2851 10.2851 10.7789 10.7789 12.1326 12.1326 12.4967 12.4967 k = 0.0270 0.5259 0.5461 ( 3326 PWs) bands (ev): -25.5266 -25.5266 -8.4302 -8.4302 -7.3661 -7.3661 -7.2424 -7.2424 -0.0870 -0.0870 0.8496 0.8496 4.7438 4.7438 4.9675 4.9675 5.5417 5.5417 5.6398 5.6398 5.7979 5.7979 5.8518 5.8518 6.0455 6.0455 6.1061 6.1061 6.1972 6.1972 6.2389 6.2389 6.5160 6.5160 7.0833 7.0833 8.8157 8.8157 9.8497 9.8497 10.1616 10.1616 10.7903 10.7903 12.2725 12.2725 12.5387 12.5387 k = 0.0338 0.5145 0.5594 ( 3326 PWs) bands (ev): -25.5266 -25.5266 -8.4304 -8.4304 -7.3656 -7.3656 -7.2438 -7.2438 -0.0846 -0.0846 0.8593 0.8593 4.7410 4.7410 4.9489 4.9489 5.5513 5.5513 5.6457 5.6457 5.8005 5.8005 5.8549 5.8549 6.0428 6.0428 6.1066 6.1066 6.2015 6.2015 6.2451 6.2451 6.5134 6.5134 7.0874 7.0874 8.7792 8.7792 9.8029 9.8029 10.0271 10.0271 10.8018 10.8018 12.4313 12.4313 12.5913 12.5913 k = 0.0405 0.5030 0.5727 ( 3326 PWs) bands (ev): -25.5264 -25.5264 -8.4307 -8.4307 -7.3650 -7.3650 -7.2456 -7.2456 -0.0817 -0.0817 0.8709 0.8709 4.7374 4.7374 4.9274 4.9274 5.5618 5.5618 5.6529 5.6529 5.8038 5.8038 5.8584 5.8584 6.0403 6.0403 6.1074 6.1074 6.2066 6.2066 6.2518 6.2518 6.5104 6.5104 7.0925 7.0925 8.7365 8.7365 9.7472 9.7472 9.8874 9.8874 10.8137 10.8137 12.6021 12.6021 12.6545 12.6545 k = 0.0473 0.4915 0.5860 ( 3330 PWs) bands (ev): -25.5263 -25.5263 -8.4310 -8.4310 -7.3644 -7.3644 -7.2476 -7.2476 -0.0784 -0.0784 0.8847 0.8847 4.7328 4.7328 4.9032 4.9032 5.5729 5.5729 5.6615 5.6615 5.8078 5.8078 5.8620 5.8620 6.0384 6.0384 6.1084 6.1084 6.2124 6.2124 6.2590 6.2590 6.5069 6.5069 7.0985 7.0985 8.6883 8.6883 9.6797 9.6797 9.7500 9.7500 10.8261 10.8261 12.7210 12.7210 12.7869 12.7869 k = 0.0541 0.4800 0.5994 ( 3330 PWs) bands (ev): -25.5262 -25.5262 -8.4313 -8.4313 -7.3636 -7.3636 -7.2498 -7.2498 -0.0746 -0.0746 0.9004 0.9004 4.7273 4.7273 4.8771 4.8771 5.5842 5.5842 5.6713 5.6713 5.8125 5.8125 5.8656 5.8656 6.0374 6.0374 6.1098 6.1098 6.2188 6.2188 6.2665 6.2665 6.5032 6.5032 7.1055 7.1055 8.6356 8.6356 9.5772 9.5772 9.6413 9.6413 10.8391 10.8391 12.7991 12.7991 12.9733 12.9733 k = 0.0608 0.4685 0.6127 ( 3328 PWs) bands (ev): -25.5260 -25.5260 -8.4317 -8.4317 -7.3628 -7.3628 -7.2523 -7.2523 -0.0703 -0.0703 0.9181 0.9181 4.7206 4.7206 4.8492 4.8492 5.5957 5.5957 5.6822 5.6822 5.8180 5.8180 5.8692 5.8692 6.0375 6.0375 6.1117 6.1117 6.2254 6.2254 6.2740 6.2740 6.4994 6.4994 7.1134 7.1134 8.5791 8.5791 9.4414 9.4414 9.5624 9.5624 10.8525 10.8525 12.8822 12.8822 13.1602 13.1602 k = 0.0676 0.4571 0.6260 ( 3324 PWs) bands (ev): -25.5258 -25.5258 -8.4321 -8.4321 -7.3620 -7.3620 -7.2549 -7.2549 -0.0657 -0.0657 0.9376 0.9376 4.7126 4.7126 4.8199 4.8199 5.6072 5.6072 5.6939 5.6939 5.8241 5.8241 5.8725 5.8725 6.0391 6.0391 6.1143 6.1143 6.2321 6.2321 6.2816 6.2816 6.4956 6.4956 7.1224 7.1224 8.5196 8.5196 9.3016 9.3016 9.4860 9.4860 10.8662 10.8662 12.9697 12.9697 13.2688 13.2688 k = 0.0743 0.4456 0.6393 ( 3316 PWs) bands (ev): -25.5256 -25.5256 -8.4326 -8.4326 -7.3611 -7.3611 -7.2577 -7.2577 -0.0606 -0.0606 0.9590 0.9590 4.7032 4.7032 4.7896 4.7896 5.6187 5.6187 5.7061 5.7061 5.8308 5.8308 5.8754 5.8754 6.0423 6.0423 6.1176 6.1176 6.2387 6.2387 6.2890 6.2890 6.4919 6.4919 7.1324 7.1324 8.4578 8.4578 9.1637 9.1637 9.4081 9.4081 10.8796 10.8796 13.0604 13.0604 13.3658 13.3658 k = 0.0811 0.4341 0.6526 ( 3316 PWs) bands (ev): -25.5254 -25.5254 -8.4331 -8.4331 -7.3602 -7.3602 -7.2606 -7.2606 -0.0552 -0.0552 0.9822 0.9822 4.6923 4.6923 4.7585 4.7585 5.6302 5.6302 5.7187 5.7187 5.8378 5.8378 5.8779 5.8779 6.0471 6.0471 6.1215 6.1215 6.2450 6.2450 6.2962 6.2962 6.4884 6.4884 7.1433 7.1433 8.3944 8.3944 9.0291 9.0291 9.3287 9.3287 10.8926 10.8926 13.1532 13.1532 13.4652 13.4652 k = 0.0878 0.4226 0.6659 ( 3318 PWs) bands (ev): -25.5252 -25.5252 -8.4336 -8.4336 -7.3593 -7.3593 -7.2636 -7.2636 -0.0495 -0.0495 1.0070 1.0070 4.6796 4.6796 4.7271 4.7271 5.6418 5.6418 5.7312 5.7312 5.8450 5.8450 5.8804 5.8804 6.0538 6.0538 6.1261 6.1261 6.2507 6.2507 6.3030 6.3030 6.4854 6.4854 7.1552 7.1552 8.3298 8.3298 8.8989 8.8989 9.2480 9.2480 10.9044 10.9044 13.2469 13.2469 13.5664 13.5664 k = 0.0946 0.4112 0.6793 ( 3318 PWs) bands (ev): -25.5250 -25.5250 -8.4342 -8.4342 -7.3584 -7.3584 -7.2666 -7.2666 -0.0436 -0.0436 1.0333 1.0333 4.6646 4.6646 4.6960 4.6960 5.6533 5.6533 5.7437 5.7437 5.8518 5.8518 5.8831 5.8831 6.0620 6.0620 6.1315 6.1315 6.2557 6.2557 6.3097 6.3097 6.4831 6.4831 7.1680 7.1680 8.2647 8.2647 8.7738 8.7738 9.1667 9.1667 10.9147 10.9147 13.3404 13.3404 13.6684 13.6684 k = 0.1014 0.3997 0.6926 ( 3320 PWs) bands (ev): -25.5248 -25.5248 -8.4349 -8.4349 -7.3576 -7.3576 -7.2696 -7.2696 -0.0373 -0.0373 1.0612 1.0612 4.6461 4.6461 4.6667 4.6667 5.6649 5.6649 5.7561 5.7561 5.8577 5.8577 5.8866 5.8866 6.0717 6.0717 6.1376 6.1376 6.2599 6.2599 6.3160 6.3160 6.4814 6.4814 7.1817 7.1817 8.1993 8.1993 8.6542 8.6542 9.0853 9.0853 10.9228 10.9228 13.4326 13.4326 13.7706 13.7706 k = 0.1081 0.3882 0.7059 ( 3320 PWs) bands (ev): -25.5245 -25.5245 -8.4355 -8.4355 -7.3569 -7.3569 -7.2726 -7.2726 -0.0309 -0.0309 1.0903 1.0903 4.6211 4.6211 4.6421 4.6421 5.6766 5.6766 5.7681 5.7681 5.8623 5.8623 5.8915 5.8915 6.0823 6.0823 6.1444 6.1444 6.2632 6.2632 6.3220 6.3220 6.4806 6.4806 7.1960 7.1960 8.1342 8.1342 8.5408 8.5408 9.0041 9.0041 10.9281 10.9281 13.5226 13.5226 13.8722 13.8722 k = 0.1149 0.3767 0.7192 ( 3322 PWs) bands (ev): -25.5243 -25.5243 -8.4362 -8.4362 -7.3562 -7.3562 -7.2755 -7.2755 -0.0244 -0.0244 1.1207 1.1207 4.5915 4.5915 4.6209 4.6209 5.6882 5.6882 5.7798 5.7798 5.8656 5.8656 5.8977 5.8977 6.0935 6.0935 6.1520 6.1520 6.2655 6.2655 6.3278 6.3278 6.4808 6.4808 7.2108 7.2108 8.0695 8.0695 8.4341 8.4341 8.9237 8.9237 10.9299 10.9299 13.6093 13.6093 13.8834 13.8834 k = 0.1216 0.3652 0.7325 ( 3326 PWs) bands (ev): -25.5240 -25.5240 -8.4369 -8.4369 -7.3557 -7.3557 -7.2782 -7.2782 -0.0177 -0.0177 1.1521 1.1521 4.5605 4.5605 4.5997 4.5997 5.6997 5.6997 5.7911 5.7911 5.8680 5.8680 5.9049 5.9049 6.1045 6.1045 6.1606 6.1606 6.2671 6.2671 6.3333 6.3333 6.4819 6.4819 7.2258 7.2258 8.0056 8.0056 8.3348 8.3348 8.8444 8.8444 10.9276 10.9276 13.6918 13.6918 13.8195 13.8195 k = 0.1284 0.3538 0.7459 ( 3336 PWs) bands (ev): -25.5238 -25.5238 -8.4377 -8.4377 -7.3553 -7.3553 -7.2808 -7.2808 -0.0110 -0.0110 1.1844 1.1844 4.5294 4.5294 4.5775 4.5775 5.7109 5.7109 5.8019 5.8019 5.8702 5.8702 5.9126 5.9126 6.1146 6.1146 6.1700 6.1700 6.2682 6.2682 6.3388 6.3388 6.4839 6.4839 7.2407 7.2407 7.9426 7.9426 8.2434 8.2434 8.7665 8.7665 10.9207 10.9207 13.7586 13.7586 13.7750 13.7750 k = 0.1351 0.3423 0.7592 ( 3334 PWs) bands (ev): -25.5235 -25.5235 -8.4384 -8.4384 -7.3550 -7.3550 -7.2832 -7.2832 -0.0043 -0.0043 1.2175 1.2175 4.4988 4.4988 4.5542 4.5542 5.7220 5.7220 5.8120 5.8120 5.8728 5.8728 5.9204 5.9204 6.1231 6.1231 6.1802 6.1802 6.2694 6.2694 6.3442 6.3442 6.4868 6.4868 7.2548 7.2548 7.8808 7.8808 8.1607 8.1607 8.6904 8.6904 10.9087 10.9087 13.7180 13.7180 13.8435 13.8435 k = 0.1419 0.3308 0.7725 ( 3336 PWs) bands (ev): -25.5233 -25.5233 -8.4392 -8.4392 -7.3550 -7.3550 -7.2853 -7.2853 0.0023 0.0023 1.2510 1.2510 4.4690 4.4690 4.5297 4.5297 5.7328 5.7328 5.8212 5.8212 5.8763 5.8763 5.9281 5.9281 6.1296 6.1296 6.1903 6.1903 6.2715 6.2715 6.3498 6.3498 6.4904 6.4904 7.2677 7.2677 7.8203 7.8203 8.0875 8.0875 8.6165 8.6165 10.8916 10.8916 13.6849 13.6849 13.9106 13.9106 k = 0.1486 0.3193 0.7858 ( 3336 PWs) bands (ev): -25.5231 -25.5231 -8.4400 -8.4400 -7.3551 -7.3551 -7.2872 -7.2872 0.0089 0.0089 1.2849 1.2849 4.4400 4.4400 4.5042 4.5042 5.7431 5.7431 5.8292 5.8292 5.8810 5.8810 5.9356 5.9356 6.1341 6.1341 6.1990 6.1990 6.2759 6.2759 6.3555 6.3555 6.4947 6.4947 7.2784 7.2784 7.7612 7.7612 8.0244 8.0244 8.5451 8.5451 10.8692 10.8692 13.6640 13.6640 13.9725 13.9725 k = 0.1554 0.3079 0.7991 ( 3334 PWs) bands (ev): -25.5228 -25.5228 -8.4407 -8.4407 -7.3554 -7.3554 -7.2889 -7.2889 0.0154 0.0154 1.3188 1.3188 4.4122 4.4122 4.4778 4.4778 5.7531 5.7531 5.8360 5.8360 5.8870 5.8870 5.9427 5.9427 6.1366 6.1366 6.2046 6.2046 6.2836 6.2836 6.3615 6.3615 6.4994 6.4994 7.2862 7.2862 7.7037 7.7037 7.9723 7.9723 8.4763 8.4763 10.8418 10.8418 13.6557 13.6557 14.0291 14.0291 k = 0.1622 0.2964 0.8125 ( 3330 PWs) bands (ev): -25.5226 -25.5226 -8.4415 -8.4415 -7.3559 -7.3559 -7.2902 -7.2902 0.0216 0.0216 1.3525 1.3525 4.3856 4.3856 4.4507 4.4507 5.7627 5.7627 5.8418 5.8418 5.8940 5.8940 5.9496 5.9496 6.1374 6.1374 6.2067 6.2067 6.2951 6.2951 6.3677 6.3677 6.5047 6.5047 7.2904 7.2904 7.6479 7.6479 7.9316 7.9316 8.4106 8.4106 10.8098 10.8098 13.6597 13.6597 14.0808 14.0808 k = 0.1689 0.2849 0.8258 ( 3334 PWs) bands (ev): -25.5224 -25.5224 -8.4422 -8.4422 -7.3565 -7.3565 -7.2913 -7.2913 0.0277 0.0277 1.3856 1.3856 4.3603 4.3603 4.4233 4.4233 5.7719 5.7719 5.8467 5.8467 5.9016 5.9016 5.9561 5.9561 6.1367 6.1367 6.2057 6.2057 6.3094 6.3094 6.3741 6.3741 6.5103 6.5103 7.2905 7.2905 7.5939 7.5939 7.9024 7.9024 8.3483 8.3483 10.7739 10.7739 13.6758 13.6758 14.1281 14.1281 k = 0.1757 0.2734 0.8391 ( 3330 PWs) bands (ev): -25.5222 -25.5222 -8.4429 -8.4429 -7.3573 -7.3573 -7.2922 -7.2922 0.0334 0.0334 1.4180 1.4180 4.3365 4.3365 4.3959 4.3959 5.7808 5.7808 5.8510 5.8510 5.9091 5.9091 5.9622 5.9622 6.1348 6.1348 6.2027 6.2027 6.3254 6.3254 6.3807 6.3807 6.5163 6.5163 7.2866 7.2866 7.5421 7.5421 7.8841 7.8841 8.2895 8.2895 10.7350 10.7350 13.7034 13.7034 14.1713 14.1713 k = 0.1824 0.2619 0.8524 ( 3332 PWs) bands (ev): -25.5220 -25.5220 -8.4436 -8.4436 -7.3581 -7.3581 -7.2929 -7.2929 0.0388 0.0388 1.4493 1.4493 4.3144 4.3144 4.3689 4.3689 5.7894 5.7894 5.8550 5.8550 5.9160 5.9160 5.9681 5.9681 6.1322 6.1322 6.1983 6.1983 6.3418 6.3418 6.3875 6.3875 6.5229 6.5229 7.2792 7.2792 7.4925 7.4925 7.8755 7.8755 8.2347 8.2347 10.6941 10.6941 13.7419 13.7419 14.2108 14.2108 k = 0.1892 0.2505 0.8657 ( 3332 PWs) bands (ev): -25.5218 -25.5218 -8.4443 -8.4443 -7.3590 -7.3590 -7.2933 -7.2933 0.0439 0.0439 1.4791 1.4791 4.2940 4.2940 4.3426 4.3426 5.7977 5.7977 5.8588 5.8588 5.9217 5.9217 5.9738 5.9738 6.1292 6.1292 6.1934 6.1934 6.3578 6.3578 6.3943 6.3943 6.5300 6.5300 7.2691 7.2691 7.4455 7.4455 7.8750 7.8750 8.1840 8.1840 10.6523 10.6523 13.7904 13.7904 14.2471 14.2471 k = 0.1959 0.2390 0.8790 ( 3324 PWs) bands (ev): -25.5216 -25.5216 -8.4449 -8.4449 -7.3599 -7.3599 -7.2937 -7.2937 0.0485 0.0485 1.5071 1.5071 4.2753 4.2753 4.3176 4.3176 5.8058 5.8058 5.8626 5.8626 5.9258 5.9258 5.9791 5.9791 6.1264 6.1264 6.1883 6.1883 6.3725 6.3725 6.4012 6.4012 6.5379 6.5379 7.2576 7.2576 7.4014 7.4014 7.8807 7.8807 8.1378 8.1378 10.6106 10.6106 13.8481 13.8481 14.2802 14.2802 k = 0.2027 0.2275 0.8924 ( 3328 PWs) bands (ev): -25.5215 -25.5215 -8.4454 -8.4454 -7.3608 -7.3608 -7.2939 -7.2939 0.0527 0.0527 1.5330 1.5330 4.2585 4.2585 4.2942 4.2942 5.8138 5.8138 5.8663 5.8663 5.9280 5.9280 5.9838 5.9838 6.1240 6.1240 6.1832 6.1832 6.3854 6.3854 6.4080 6.4080 6.5465 6.5465 7.2455 7.2455 7.3605 7.3605 7.8905 7.8905 8.0963 8.0963 10.5704 10.5704 13.9141 13.9141 14.3102 14.3102 k = 0.2095 0.2160 0.9057 ( 3332 PWs) bands (ev): -25.5214 -25.5214 -8.4459 -8.4459 -7.3617 -7.3617 -7.2940 -7.2940 0.0564 0.0564 1.5563 1.5563 4.2436 4.2436 4.2729 4.2729 5.8215 5.8215 5.8698 5.8698 5.9283 5.9283 5.9878 5.9878 6.1224 6.1224 6.1783 6.1783 6.3962 6.3962 6.4145 6.4145 6.5558 6.5558 7.2337 7.2337 7.3234 7.3234 7.9027 7.9027 8.0597 8.0597 10.5327 10.5327 13.9873 13.9873 14.3371 14.3371 k = 0.2162 0.2046 0.9190 ( 3330 PWs) bands (ev): -25.5213 -25.5213 -8.4463 -8.4463 -7.3624 -7.3624 -7.2940 -7.2940 0.0596 0.0596 1.5767 1.5767 4.2307 4.2307 4.2543 4.2543 5.8289 5.8289 5.8734 5.8734 5.9268 5.9268 5.9909 5.9909 6.1219 6.1219 6.1739 6.1739 6.4049 6.4049 6.4202 6.4202 6.5655 6.5655 7.2228 7.2228 7.2906 7.2906 7.9156 7.9156 8.0285 8.0285 10.4986 10.4986 14.0665 14.0665 14.3608 14.3608 k = 0.2230 0.1931 0.9323 ( 3338 PWs) bands (ev): -25.5212 -25.5212 -8.4467 -8.4467 -7.3631 -7.3631 -7.2940 -7.2940 0.0622 0.0622 1.5939 1.5939 4.2196 4.2196 4.2388 4.2388 5.8358 5.8358 5.8769 5.8769 5.9237 5.9237 5.9932 5.9932 6.1223 6.1223 6.1699 6.1699 6.4118 6.4118 6.4249 6.4249 6.5751 6.5751 7.2132 7.2132 7.2627 7.2627 7.9279 7.9279 8.0027 8.0027 10.4692 10.4692 14.1501 14.1501 14.3809 14.3809 k = 0.2297 0.1816 0.9456 ( 3334 PWs) bands (ev): -25.5211 -25.5211 -8.4470 -8.4470 -7.3636 -7.3636 -7.2940 -7.2940 0.0643 0.0643 1.6076 1.6076 4.2104 4.2104 4.2269 4.2269 5.8420 5.8420 5.8805 5.8805 5.9196 5.9196 5.9948 5.9948 6.1233 6.1233 6.1666 6.1666 6.4173 6.4173 6.4281 6.4281 6.5838 6.5838 7.2048 7.2048 7.2406 7.2406 7.9382 7.9382 7.9829 7.9829 10.4453 10.4453 14.2357 14.2357 14.3974 14.3974 k = 0.2365 0.1701 0.9590 ( 3336 PWs) bands (ev): -25.5210 -25.5210 -8.4472 -8.4472 -7.3640 -7.3640 -7.2940 -7.2940 0.0658 0.0658 1.6176 1.6176 4.2034 4.2034 4.2185 4.2185 5.8469 5.8469 5.8840 5.8840 5.9148 5.9148 5.9958 5.9958 6.1245 6.1245 6.1641 6.1641 6.4215 6.4215 6.4299 6.4299 6.5908 6.5908 7.1978 7.1978 7.2252 7.2252 7.9452 7.9452 7.9697 7.9697 10.4276 10.4276 14.3181 14.3181 14.4100 14.4100 k = 0.2432 0.1586 0.9723 ( 3338 PWs) bands (ev): -25.5210 -25.5210 -8.4473 -8.4473 -7.3643 -7.3643 -7.2940 -7.2940 0.0667 0.0667 1.6237 1.6237 4.1989 4.1989 4.2137 4.2137 5.8501 5.8501 5.8872 5.8872 5.9106 5.9106 5.9963 5.9963 6.1254 6.1254 6.1624 6.1624 6.4245 6.4245 6.4305 6.4305 6.5954 6.5954 7.1928 7.1928 7.2165 7.2165 7.9473 7.9473 7.9640 7.9640 10.4168 10.4168 14.3840 14.3840 14.4206 14.4206 k = 0.2500 0.1472 0.9856 ( 3336 PWs) bands (ev): -25.5210 -25.5210 -8.4473 -8.4473 -7.3644 -7.3644 -7.2940 -7.2940 0.0670 0.0670 1.6257 1.6257 4.1974 4.1974 4.2121 4.2121 5.8512 5.8512 5.8887 5.8887 5.9088 5.9088 5.9965 5.9965 6.1258 6.1258 6.1618 6.1618 6.4256 6.4256 6.4305 6.4305 6.5970 6.5970 7.1908 7.1908 7.2137 7.2137 7.9470 7.9470 7.9632 7.9632 10.4132 10.4132 14.4056 14.4056 14.4313 14.4313 k = 0.2500 0.1472 0.9856 ( 3336 PWs) bands (ev): -25.5210 -25.5210 -8.4473 -8.4473 -7.3644 -7.3644 -7.2940 -7.2940 0.0670 0.0670 1.6257 1.6257 4.1974 4.1974 4.2121 4.2121 5.8512 5.8512 5.8887 5.8887 5.9088 5.9088 5.9965 5.9965 6.1258 6.1258 6.1618 6.1618 6.4256 6.4256 6.4305 6.4305 6.5970 6.5970 7.1908 7.1908 7.2137 7.2137 7.9470 7.9470 7.9632 7.9632 10.4132 10.4132 14.4056 14.4056 14.4313 14.4313 k = 0.2639 0.1553 0.9761 ( 3336 PWs) bands (ev): -25.5210 -25.5210 -8.4473 -8.4473 -7.3643 -7.3643 -7.2940 -7.2940 0.0669 0.0669 1.6254 1.6254 4.1978 4.1978 4.2126 4.2126 5.8507 5.8507 5.8884 5.8884 5.9095 5.9095 5.9965 5.9965 6.1257 6.1257 6.1622 6.1622 6.4253 6.4253 6.4305 6.4305 6.5952 6.5952 7.1912 7.1912 7.2146 7.2146 7.9296 7.9296 7.9813 7.9813 10.4180 10.4180 14.3253 14.3253 14.5014 14.5014 k = 0.2778 0.1635 0.9666 ( 3335 PWs) bands (ev): -25.5210 -25.5210 -8.4473 -8.4473 -7.3643 -7.3643 -7.2940 -7.2940 0.0665 0.0665 1.6241 1.6241 4.1993 4.1993 4.2139 4.2139 5.8488 5.8488 5.8879 5.8879 5.9114 5.9114 5.9964 5.9964 6.1254 6.1254 6.1633 6.1633 6.4244 6.4244 6.4305 6.4305 6.5900 6.5900 7.1913 7.1913 7.2178 7.2178 7.9075 7.9075 8.0058 8.0058 10.4322 10.4322 14.2339 14.2339 14.5445 14.5445 k = 0.2917 0.1717 0.9571 ( 3331 PWs) bands (ev): -25.5210 -25.5210 -8.4472 -8.4472 -7.3642 -7.3642 -7.2940 -7.2940 0.0661 0.0661 1.6216 1.6216 4.2019 4.2019 4.2162 4.2162 5.8457 5.8457 5.8879 5.8879 5.9140 5.9140 5.9963 5.9963 6.1248 6.1248 6.1649 6.1649 6.4230 6.4230 6.4305 6.4305 6.5814 6.5814 7.1909 7.1909 7.2234 7.2234 7.8860 7.8860 8.0318 8.0318 10.4551 10.4551 14.1444 14.1444 14.5237 14.5237 k = 0.3056 0.1799 0.9476 ( 3329 PWs) bands (ev): -25.5210 -25.5210 -8.4472 -8.4472 -7.3640 -7.3640 -7.2940 -7.2940 0.0658 0.0658 1.6177 1.6177 4.2058 4.2058 4.2196 4.2196 5.8412 5.8412 5.8885 5.8885 5.9171 5.9171 5.9962 5.9962 6.1241 6.1241 6.1670 6.1670 6.4210 6.4210 6.4303 6.4303 6.5698 6.5698 7.1900 7.1900 7.2308 7.2308 7.8659 7.8659 8.0591 8.0591 10.4860 10.4860 14.0574 14.0574 14.4558 14.4558 k = 0.3194 0.1881 0.9382 ( 3327 PWs) bands (ev): -25.5211 -25.5211 -8.4471 -8.4471 -7.3638 -7.3638 -7.2941 -7.2941 0.0655 0.0655 1.6122 1.6122 4.2109 4.2109 4.2245 4.2245 5.8356 5.8356 5.8898 5.8898 5.9204 5.9204 5.9960 5.9960 6.1232 6.1232 6.1693 6.1693 6.4186 6.4186 6.4300 6.4300 6.5554 6.5554 7.1889 7.1889 7.2394 7.2394 7.8478 7.8478 8.0873 8.0873 10.5240 10.5240 13.9736 13.9736 14.3647 14.3647 k = 0.3333 0.1962 0.9287 ( 3329 PWs) bands (ev): -25.5211 -25.5211 -8.4470 -8.4470 -7.3636 -7.3636 -7.2941 -7.2941 0.0655 0.0655 1.6049 1.6049 4.2167 4.2167 4.2315 4.2315 5.8289 5.8289 5.8916 5.8916 5.9238 5.9238 5.9957 5.9957 6.1224 6.1224 6.1719 6.1719 6.4157 6.4157 6.4295 6.4295 6.5387 6.5387 7.1876 7.1876 7.2490 7.2490 7.8320 7.8320 8.1162 8.1162 10.5680 10.5680 13.8934 13.8934 14.2623 14.2623 k = 0.3472 0.2044 0.9192 ( 3325 PWs) bands (ev): -25.5211 -25.5211 -8.4468 -8.4468 -7.3633 -7.3633 -7.2942 -7.2942 0.0657 0.0657 1.5956 1.5956 4.2228 4.2228 4.2409 4.2409 5.8214 5.8214 5.8939 5.8939 5.9273 5.9273 5.9955 5.9955 6.1218 6.1218 6.1745 6.1745 6.4122 6.4122 6.4288 6.4288 6.5201 6.5201 7.1865 7.1865 7.2594 7.2594 7.8189 7.8189 8.1459 8.1459 10.6169 10.6169 13.8172 13.8172 14.1547 14.1547 k = 0.3611 0.2126 0.9097 ( 3330 PWs) bands (ev): -25.5212 -25.5212 -8.4467 -8.4467 -7.3630 -7.3630 -7.2942 -7.2942 0.0663 0.0663 1.5843 1.5843 4.2291 4.2291 4.2531 4.2531 5.8133 5.8133 5.8965 5.8965 5.9309 5.9309 5.9952 5.9952 6.1212 6.1212 6.1769 6.1769 6.4082 6.4082 6.4278 6.4278 6.4999 6.4999 7.1854 7.1854 7.2704 7.2704 7.8087 7.8087 8.1759 8.1759 10.6693 10.6693 13.7455 13.7455 14.0462 14.0462 k = 0.3750 0.2208 0.9002 ( 3328 PWs) bands (ev): -25.5212 -25.5212 -8.4465 -8.4465 -7.3626 -7.3626 -7.2943 -7.2943 0.0673 0.0673 1.5708 1.5708 4.2358 4.2358 4.2678 4.2678 5.8046 5.8046 5.8994 5.8994 5.9345 5.9345 5.9949 5.9949 6.1210 6.1210 6.1791 6.1791 6.4034 6.4034 6.4263 6.4263 6.4789 6.4789 7.1845 7.1845 7.2824 7.2824 7.8013 7.8013 8.2062 8.2062 10.7239 10.7239 13.6786 13.6786 13.9397 13.9397 k = 0.3889 0.2289 0.8907 ( 3318 PWs) bands (ev): -25.5213 -25.5213 -8.4464 -8.4464 -7.3622 -7.3622 -7.2944 -7.2944 0.0688 0.0688 1.5553 1.5553 4.2428 4.2428 4.2848 4.2848 5.7954 5.7954 5.9024 5.9024 5.9382 5.9382 5.9948 5.9948 6.1212 6.1212 6.1811 6.1811 6.3975 6.3975 6.4236 6.4236 6.4587 6.4587 7.1839 7.1839 7.2956 7.2956 7.7967 7.7967 8.2366 8.2366 10.7791 10.7791 13.6169 13.6169 13.8379 13.8379 k = 0.4028 0.2371 0.8812 ( 3321 PWs) bands (ev): -25.5213 -25.5213 -8.4462 -8.4462 -7.3618 -7.3618 -7.2945 -7.2945 0.0706 0.0706 1.5377 1.5377 4.2503 4.2503 4.3040 4.3040 5.7858 5.7858 5.9055 5.9055 5.9418 5.9418 5.9945 5.9945 6.1217 6.1217 6.1826 6.1826 6.3894 6.3894 6.4176 6.4176 6.4426 6.4426 7.1834 7.1834 7.3102 7.3102 7.7946 7.7946 8.2668 8.2668 10.8333 10.8333 13.5606 13.5606 13.7429 13.7429 k = 0.4167 0.2453 0.8717 ( 3319 PWs) bands (ev): -25.5214 -25.5214 -8.4459 -8.4459 -7.3613 -7.3613 -7.2946 -7.2946 0.0730 0.0730 1.5181 1.5181 4.2583 4.2583 4.3250 4.3250 5.7759 5.7759 5.9084 5.9084 5.9455 5.9455 5.9943 5.9943 6.1227 6.1227 6.1836 6.1836 6.3770 6.3770 6.4073 6.4073 6.4345 6.4345 7.1832 7.1832 7.3264 7.3264 7.7951 7.7951 8.2965 8.2965 10.8848 10.8848 13.5101 13.5101 13.6568 13.6568 k = 0.4306 0.2535 0.8623 ( 3324 PWs) bands (ev): -25.5214 -25.5214 -8.4457 -8.4457 -7.3607 -7.3607 -7.2948 -7.2948 0.0757 0.0757 1.4967 1.4967 4.2669 4.2669 4.3476 4.3476 5.7657 5.7657 5.9113 5.9113 5.9493 5.9493 5.9941 5.9941 6.1241 6.1241 6.1839 6.1839 6.3589 6.3589 6.3975 6.3975 6.4311 6.4311 7.1831 7.1831 7.3445 7.3445 7.7978 7.7978 8.3257 8.3257 10.9318 10.9318 13.4656 13.4656 13.5814 13.5814 k = 0.4444 0.2616 0.8528 ( 3327 PWs) bands (ev): -25.5215 -25.5215 -8.4454 -8.4454 -7.3602 -7.3602 -7.2949 -7.2949 0.0788 0.0788 1.4737 1.4737 4.2761 4.2761 4.3715 4.3715 5.7554 5.7554 5.9137 5.9137 5.9531 5.9531 5.9939 5.9939 6.1259 6.1259 6.1834 6.1834 6.3375 6.3375 6.3897 6.3897 6.4293 6.4293 7.1833 7.1833 7.3645 7.3645 7.8026 7.8026 8.3539 8.3539 10.9727 10.9727 13.4273 13.4273 13.5187 13.5187 k = 0.4583 0.2698 0.8433 ( 3324 PWs) bands (ev): -25.5216 -25.5216 -8.4452 -8.4452 -7.3595 -7.3595 -7.2951 -7.2951 0.0822 0.0822 1.4493 1.4493 4.2858 4.2858 4.3963 4.3963 5.7451 5.7451 5.9159 5.9159 5.9569 5.9569 5.9938 5.9938 6.1281 6.1281 6.1820 6.1820 6.3155 6.3155 6.3830 6.3830 6.4281 6.4281 7.1836 7.1836 7.3865 7.3865 7.8097 7.8097 8.3811 8.3811 11.0058 11.0058 13.3956 13.3956 13.4702 13.4702 k = 0.4722 0.2780 0.8338 ( 3324 PWs) bands (ev): -25.5217 -25.5217 -8.4449 -8.4449 -7.3589 -7.3589 -7.2953 -7.2953 0.0859 0.0859 1.4238 1.4238 4.2962 4.2962 4.4217 4.4217 5.7348 5.7348 5.9175 5.9175 5.9607 5.9607 5.9936 5.9936 6.1305 6.1305 6.1796 6.1796 6.2944 6.2944 6.3768 6.3768 6.4272 6.4272 7.1842 7.1842 7.4100 7.4100 7.8192 7.8192 8.4069 8.4069 11.0298 11.0298 13.3705 13.3705 13.4369 13.4369 k = 0.4861 0.2862 0.8243 ( 3332 PWs) bands (ev): -25.5217 -25.5217 -8.4446 -8.4446 -7.3581 -7.3581 -7.2954 -7.2954 0.0895 0.0895 1.3974 1.3974 4.3072 4.3072 4.4473 4.4473 5.7247 5.7247 5.9185 5.9185 5.9644 5.9644 5.9932 5.9932 6.1328 6.1328 6.1761 6.1761 6.2757 6.2757 6.3707 6.3707 6.4265 6.4265 7.1848 7.1848 7.4345 7.4345 7.8314 7.8314 8.4312 8.4312 11.0440 11.0440 13.3525 13.3525 13.4194 13.4194 k = 0.5000 0.2943 0.8148 ( 3320 PWs) bands (ev): -25.5218 -25.5218 -8.4442 -8.4442 -7.3574 -7.3574 -7.2956 -7.2956 0.0932 0.0932 1.3706 1.3706 4.3189 4.3189 4.4727 4.4727 5.7149 5.7149 5.9189 5.9189 5.9678 5.9678 5.9927 5.9927 6.1345 6.1345 6.1719 6.1719 6.2603 6.2603 6.3650 6.3650 6.4260 6.4260 7.1856 7.1856 7.4594 7.4594 7.8469 7.8469 8.4538 8.4538 11.0482 11.0482 13.3415 13.3415 13.4179 13.4179 k = 0.5000 0.2943 0.8148 ( 3320 PWs) bands (ev): -25.5218 -25.5218 -8.4442 -8.4442 -7.3574 -7.3574 -7.2956 -7.2956 0.0932 0.0932 1.3706 1.3706 4.3189 4.3189 4.4727 4.4727 5.7149 5.7149 5.9189 5.9189 5.9678 5.9678 5.9927 5.9927 6.1345 6.1345 6.1719 6.1719 6.2603 6.2603 6.3650 6.3650 6.4260 6.4260 7.1856 7.1856 7.4594 7.4594 7.8469 7.8469 8.4538 8.4538 11.0482 11.0482 13.3415 13.3415 13.4179 13.4179 k = 0.5000 0.2943 0.7963 ( 3318 PWs) bands (ev): -25.5220 -25.5220 -8.4435 -8.4435 -7.3558 -7.3558 -7.2959 -7.2959 0.1001 0.1001 1.3167 1.3167 4.3435 4.3435 4.5226 4.5226 5.6956 5.6956 5.9182 5.9182 5.9737 5.9737 5.9911 5.9911 6.1362 6.1362 6.1636 6.1636 6.2337 6.2337 6.3541 6.3541 6.4250 6.4250 7.1875 7.1875 7.5103 7.5103 7.8832 7.8832 8.4979 8.4979 11.0471 11.0471 13.3264 13.3264 13.4254 13.4254 k = 0.5000 0.2943 0.7778 ( 3314 PWs) bands (ev): -25.5222 -25.5222 -8.4428 -8.4428 -7.3540 -7.3540 -7.2963 -7.2963 0.1073 0.1073 1.2605 1.2605 4.3705 4.3705 4.5734 4.5734 5.6753 5.6753 5.9165 5.9165 5.9780 5.9780 5.9902 5.9902 6.1357 6.1357 6.1560 6.1560 6.2082 6.2082 6.3435 6.3435 6.4241 6.4241 7.1897 7.1897 7.5668 7.5668 7.9240 7.9240 8.5456 8.5456 11.0466 11.0466 13.3102 13.3102 13.4217 13.4217 k = 0.5000 0.2943 0.7593 ( 3310 PWs) bands (ev): -25.5224 -25.5224 -8.4419 -8.4419 -7.3521 -7.3521 -7.2967 -7.2967 0.1147 0.1147 1.2026 1.2026 4.4000 4.4000 4.6246 4.6246 5.6542 5.6542 5.9136 5.9136 5.9787 5.9787 5.9911 5.9911 6.1283 6.1283 6.1508 6.1508 6.1882 6.1882 6.3335 6.3335 6.4231 6.4231 7.1921 7.1921 7.6289 7.6289 7.9694 7.9694 8.5968 8.5968 11.0470 11.0470 13.2928 13.2928 13.4056 13.4056 k = 0.5000 0.2943 0.7407 ( 3322 PWs) bands (ev): -25.5227 -25.5227 -8.4410 -8.4410 -7.3500 -7.3500 -7.2971 -7.2971 0.1220 0.1220 1.1433 1.1433 4.4318 4.4318 4.6754 4.6754 5.6319 5.6319 5.9091 5.9091 5.9761 5.9761 5.9927 5.9927 6.1115 6.1115 6.1461 6.1461 6.1795 6.1795 6.3243 6.3243 6.4220 6.4220 7.1947 7.1947 7.6966 7.6966 8.0191 8.0191 8.6512 8.6512 11.0483 11.0483 13.2743 13.2743 13.3770 13.3770 k = 0.5000 0.2943 0.7222 ( 3322 PWs) bands (ev): -25.5229 -25.5229 -8.4400 -8.4400 -7.3478 -7.3478 -7.2975 -7.2975 0.1292 0.1292 1.0832 1.0832 4.4660 4.4660 4.7255 4.7255 5.6085 5.6085 5.9031 5.9031 5.9714 5.9714 5.9926 5.9926 6.0899 6.0899 6.1406 6.1406 6.1815 6.1815 6.3163 6.3163 6.4211 6.4211 7.1976 7.1976 7.7700 7.7700 8.0732 8.0732 8.7088 8.7088 11.0509 11.0509 13.2546 13.2546 13.3368 13.3368 k = 0.5000 0.2943 0.7037 ( 3316 PWs) bands (ev): -25.5232 -25.5232 -8.4390 -8.4390 -7.3454 -7.3454 -7.2979 -7.2979 0.1361 0.1361 1.0227 1.0227 4.5024 4.5024 4.7743 4.7743 5.5838 5.5838 5.8953 5.8953 5.9652 5.9652 5.9884 5.9884 6.0695 6.0695 6.1360 6.1360 6.1890 6.1890 6.3098 6.3098 6.4203 6.4203 7.2007 7.2007 7.8489 7.8489 8.1313 8.1313 8.7693 8.7693 11.0550 11.0550 13.2332 13.2332 13.2869 13.2869 k = 0.5000 0.2943 0.6852 ( 3320 PWs) bands (ev): -25.5234 -25.5234 -8.4379 -8.4379 -7.3429 -7.3429 -7.2983 -7.2983 0.1425 0.1425 0.9619 0.9619 4.5411 4.5411 4.8215 4.8215 5.5576 5.5576 5.8856 5.8856 5.9567 5.9567 5.9792 5.9792 6.0544 6.0544 6.1330 6.1330 6.1994 6.1994 6.3050 6.3050 6.4195 6.4195 7.2040 7.2040 7.9333 7.9333 8.1932 8.1932 8.8327 8.8327 11.0607 11.0607 13.2076 13.2076 13.2314 13.2314 k = 0.5000 0.2943 0.6667 ( 3324 PWs) bands (ev): -25.5237 -25.5237 -8.4367 -8.4367 -7.3402 -7.3402 -7.2987 -7.2987 0.1484 0.1484 0.9012 0.9012 4.5819 4.5819 4.8667 4.8667 5.5299 5.5299 5.8741 5.8741 5.9446 5.9446 5.9675 5.9675 6.0449 6.0449 6.1319 6.1319 6.2118 6.2118 6.3022 6.3022 6.4189 6.4189 7.2075 7.2075 8.0229 8.0229 8.2589 8.2589 8.8988 8.8988 11.0683 11.0683 13.1578 13.1578 13.1918 13.1918 k = 0.5000 0.2943 0.6482 ( 3324 PWs) bands (ev): -25.5240 -25.5240 -8.4355 -8.4355 -7.3374 -7.3374 -7.2991 -7.2991 0.1536 0.1536 0.8409 0.8409 4.6249 4.6249 4.9099 4.9099 5.5006 5.5006 5.8608 5.8608 5.9284 5.9284 5.9566 5.9566 6.0388 6.0388 6.1326 6.1326 6.2256 6.2256 6.3018 6.3018 6.4186 6.4186 7.2113 7.2113 8.1175 8.1175 8.3281 8.3281 8.9674 8.9674 11.0781 11.0781 13.0896 13.0896 13.1631 13.1631 k = 0.5000 0.2943 0.6296 ( 3320 PWs) bands (ev): -25.5243 -25.5243 -8.4342 -8.4342 -7.3344 -7.3344 -7.2994 -7.2994 0.1579 0.1579 0.7811 0.7811 4.6699 4.6699 4.9509 4.9509 5.4698 5.4698 5.8462 5.8462 5.9104 5.9104 5.9468 5.9468 6.0343 6.0343 6.1349 6.1349 6.2396 6.2396 6.3048 6.3048 6.4185 6.4185 7.2153 7.2153 8.2167 8.2167 8.4005 8.4005 9.0386 9.0386 11.0904 11.0904 13.0168 13.0168 13.1322 13.1322 k = 0.5000 0.2943 0.6111 ( 3324 PWs) bands (ev): -25.5247 -25.5247 -8.4329 -8.4329 -7.3314 -7.3314 -7.2997 -7.2997 0.1613 0.1613 0.7221 0.7221 4.7168 4.7168 4.9895 4.9895 5.4375 5.4375 5.8309 5.8309 5.8924 5.8924 5.9374 5.9374 6.0304 6.0304 6.1386 6.1386 6.2525 6.2525 6.3122 6.3122 6.4190 6.4190 7.2195 7.2195 8.3202 8.3202 8.4760 8.4760 9.1121 9.1121 11.1054 11.1054 12.9418 12.9418 13.0970 13.0970 k = 0.5000 0.2943 0.5926 ( 3324 PWs) bands (ev): -25.5250 -25.5250 -8.4315 -8.4315 -7.3282 -7.3282 -7.3000 -7.3000 0.1636 0.1636 0.6640 0.6640 4.7657 4.7657 5.0258 5.0258 5.4043 5.4043 5.8155 5.8155 5.8752 5.8752 5.9280 5.9280 6.0267 6.0267 6.1434 6.1434 6.2631 6.2631 6.3248 6.3248 6.4201 6.4201 7.2241 7.2241 8.4274 8.4274 8.5545 8.5545 9.1880 9.1880 11.1234 11.1234 12.8658 12.8658 13.0559 13.0559 k = 0.5000 0.2943 0.5741 ( 3328 PWs) bands (ev): -25.5253 -25.5253 -8.4301 -8.4301 -7.3250 -7.3250 -7.3002 -7.3002 0.1648 0.1648 0.6070 0.6070 4.8162 4.8162 5.0598 5.0598 5.3703 5.3703 5.8002 5.8002 5.8589 5.8589 5.9186 5.9186 6.0231 6.0231 6.1492 6.1492 6.2712 6.2712 6.3423 6.3423 6.4224 6.4224 7.2289 7.2289 8.5376 8.5376 8.6359 8.6359 9.2660 9.2660 11.1448 11.1448 12.7897 12.7897 13.0070 13.0070 k = 0.5000 0.2943 0.5556 ( 3324 PWs) bands (ev): -25.5256 -25.5256 -8.4287 -8.4287 -7.3217 -7.3217 -7.3002 -7.3002 0.1647 0.1647 0.5512 0.5512 4.8683 4.8683 5.0915 5.0915 5.3359 5.3359 5.7854 5.7854 5.8438 5.8438 5.9094 5.9094 6.0196 6.0196 6.1557 6.1557 6.2778 6.2778 6.3626 6.3626 6.4270 6.4270 7.2339 7.2339 8.6496 8.6496 8.7206 8.7206 9.3462 9.3462 11.1699 11.1699 12.7144 12.7144 12.9483 12.9483 k = 0.5000 0.2943 0.5370 ( 3324 PWs) bands (ev): -25.5260 -25.5260 -8.4272 -8.4272 -7.3185 -7.3185 -7.3002 -7.3002 0.1633 0.1633 0.4967 0.4967 4.9217 4.9217 5.1210 5.1210 5.3017 5.3017 5.7710 5.7710 5.8298 5.8298 5.9006 5.9006 6.0161 6.0161 6.1628 6.1628 6.2837 6.2837 6.3823 6.3823 6.4365 6.4365 7.2393 7.2393 8.7608 8.7608 8.8101 8.8101 9.4284 9.4284 11.1991 11.1991 12.6406 12.6406 12.8783 12.8783 k = 0.5000 0.2943 0.5185 ( 3326 PWs) bands (ev): -25.5263 -25.5263 -8.4257 -8.4257 -7.3154 -7.3154 -7.2998 -7.2998 0.1606 0.1606 0.4436 0.4436 4.9762 4.9762 5.1483 5.1483 5.2683 5.2683 5.7567 5.7567 5.8169 5.8169 5.8925 5.8925 6.0128 6.0128 6.1704 6.1704 6.2894 6.2894 6.3970 6.3970 6.4543 6.4543 7.2451 7.2451 8.8654 8.8654 8.9093 8.9093 9.5126 9.5126 11.2329 11.2329 12.5688 12.5688 12.7956 12.7956 k = 0.5000 0.2943 0.5000 ( 3330 PWs) bands (ev): -25.5267 -25.5267 -8.4241 -8.4241 -7.3126 -7.3126 -7.2991 -7.2991 0.1565 0.1565 0.3920 0.3920 5.0312 5.0312 5.1733 5.1733 5.2366 5.2366 5.7423 5.7423 5.8050 5.8050 5.8854 5.8854 6.0095 6.0095 6.1785 6.1785 6.2951 6.2951 6.4063 6.4063 6.4811 6.4811 7.2512 7.2512 8.9605 8.9605 9.0200 9.0200 9.5986 9.5986 11.2715 11.2715 12.4997 12.4997 12.6998 12.6998 k = 0.5000 0.2943 0.4815 ( 3334 PWs) bands (ev): -25.5270 -25.5270 -8.4225 -8.4225 -7.3103 -7.3103 -7.2977 -7.2977 0.1510 0.1510 0.3419 0.3419 5.0845 5.0845 5.1925 5.1925 5.2121 5.2121 5.7278 5.7278 5.7941 5.7941 5.8795 5.8795 6.0064 6.0064 6.1869 6.1869 6.3009 6.3009 6.4128 6.4128 6.5140 6.5140 7.2577 7.2577 9.0513 9.0513 9.1358 9.1358 9.6865 9.6865 11.3155 11.3155 12.4336 12.4336 12.5918 12.5918 k = 0.5000 0.2943 0.4630 ( 3336 PWs) bands (ev): -25.5274 -25.5274 -8.4210 -8.4210 -7.3087 -7.3087 -7.2956 -7.2956 0.1442 0.1442 0.2936 0.2936 5.1249 5.1249 5.1896 5.1896 5.2229 5.2229 5.7131 5.7131 5.7838 5.7838 5.8750 5.8750 6.0036 6.0036 6.1955 6.1955 6.3070 6.3070 6.4186 6.4186 6.5510 6.5510 7.2647 7.2647 9.1404 9.1404 9.2527 9.2527 9.7760 9.7760 11.3653 11.3653 12.3709 12.3709 12.4732 12.4732 k = 0.5000 0.2943 0.4444 ( 3336 PWs) bands (ev): -25.5277 -25.5277 -8.4194 -8.4194 -7.3077 -7.3077 -7.2928 -7.2928 0.1360 0.1360 0.2469 0.2469 5.1212 5.1212 5.2211 5.2211 5.2438 5.2438 5.6984 5.6984 5.7739 5.7739 5.8721 5.8721 6.0009 6.0009 6.2043 6.2043 6.3132 6.3132 6.4245 6.4245 6.5913 6.5913 7.2722 7.2722 9.2285 9.2285 9.3688 9.3688 9.8672 9.8672 11.4211 11.4211 12.3104 12.3104 12.3472 12.3472 k = 0.5000 0.2943 0.4259 ( 3328 PWs) bands (ev): -25.5280 -25.5280 -8.4178 -8.4178 -7.3071 -7.3071 -7.2895 -7.2895 0.1264 0.1264 0.2021 0.2021 5.0975 5.0975 5.2576 5.2576 5.2798 5.2798 5.6837 5.6837 5.7642 5.7642 5.8708 5.8708 5.9987 5.9987 6.2130 6.2130 6.3198 6.3198 6.4312 6.4312 6.6345 6.6345 7.2804 7.2804 9.3153 9.3153 9.4829 9.4829 9.9599 9.9599 11.4832 11.4832 12.2068 12.2068 12.2616 12.2616 k = 0.5000 0.2943 0.4074 ( 3332 PWs) bands (ev): -25.5284 -25.5284 -8.4162 -8.4162 -7.3068 -7.3068 -7.2859 -7.2859 0.1153 0.1153 0.1595 0.1595 5.0716 5.0716 5.2769 5.2769 5.3350 5.3350 5.6692 5.6692 5.7546 5.7546 5.8709 5.8709 5.9968 5.9968 6.2213 6.2213 6.3269 6.3269 6.4387 6.4387 6.6802 6.6802 7.2892 7.2892 9.4003 9.4003 9.5941 9.5941 10.0539 10.0539 11.5516 11.5516 12.0679 12.0679 12.2107 12.2107 k = 0.5000 0.2943 0.3889 ( 3336 PWs) bands (ev): -25.5287 -25.5287 -8.4146 -8.4146 -7.3066 -7.3066 -7.2821 -7.2821 0.1009 0.1009 0.1210 0.1210 5.0461 5.0461 5.2937 5.2937 5.3919 5.3919 5.6548 5.6548 5.7452 5.7452 5.8722 5.8722 5.9956 5.9956 6.2291 6.2291 6.3348 6.3348 6.4473 6.4473 6.7284 6.7284 7.2988 7.2988 9.4827 9.4827 9.7018 9.7018 10.1492 10.1492 11.6258 11.6258 11.9246 11.9246 12.1653 12.1653 k = 0.5000 0.2943 0.3704 ( 3338 PWs) bands (ev): -25.5290 -25.5290 -8.4131 -8.4131 -7.3065 -7.3065 -7.2783 -7.2783 0.0729 0.0729 0.0968 0.0968 5.0217 5.0217 5.3092 5.3092 5.4483 5.4483 5.6409 5.6409 5.7358 5.7358 5.8744 5.8744 5.9951 5.9951 6.2360 6.2360 6.3437 6.3437 6.4571 6.4571 6.7790 6.7790 7.3094 7.3094 9.5620 9.5620 9.8053 9.8053 10.2457 10.2457 11.7025 11.7025 11.7820 11.7820 12.1244 12.1244 k = 0.5000 0.2943 0.3519 ( 3334 PWs) bands (ev): -25.5294 -25.5294 -8.4115 -8.4115 -7.3064 -7.3064 -7.2744 -7.2744 0.0369 0.0369 0.0818 0.0818 4.9986 4.9986 5.3237 5.3237 5.5030 5.5030 5.6274 5.6274 5.7270 5.7270 5.8774 5.8774 5.9955 5.9955 6.2418 6.2418 6.3539 6.3539 6.4683 6.4683 6.8319 6.8319 7.3210 7.3210 9.6372 9.6372 9.9043 9.9043 10.3431 10.3431 11.6274 11.6274 11.7942 11.7942 12.0872 12.0872 k = 0.5000 0.2943 0.3333 ( 3340 PWs) bands (ev): -25.5297 -25.5297 -8.4100 -8.4100 -7.3063 -7.3063 -7.2705 -7.2705 0.0015 0.0015 0.0674 0.0674 4.9770 4.9770 5.3373 5.3373 5.5550 5.5550 5.6146 5.6146 5.7187 5.7187 5.8808 5.8808 5.9969 5.9969 6.2464 6.2464 6.3652 6.3652 6.4811 6.4811 6.8869 6.8869 7.3339 7.3339 9.7075 9.7075 9.9986 9.9986 10.4413 10.4413 11.4809 11.4809 11.8795 11.8795 12.0530 12.0530 k = 0.5000 0.2943 0.3148 ( 3344 PWs) bands (ev): -25.5300 -25.5300 -8.4086 -8.4086 -7.3063 -7.3063 -7.2666 -7.2666 -0.0324 -0.0324 0.0529 0.0529 4.9568 4.9568 5.3499 5.3499 5.5986 5.5986 5.6064 5.6064 5.7121 5.7121 5.8848 5.8848 5.9994 5.9994 6.2497 6.2497 6.3775 6.3775 6.4958 6.4958 6.9437 6.9437 7.3482 7.3482 9.7724 9.7724 10.0881 10.0881 10.5401 10.5401 11.3339 11.3339 11.9600 11.9600 12.0248 12.0248 k = 0.5000 0.2943 0.2963 ( 3338 PWs) bands (ev): -25.5303 -25.5303 -8.4072 -8.4072 -7.3063 -7.3063 -7.2628 -7.2628 -0.0644 -0.0644 0.0381 0.0381 4.9380 4.9380 5.3618 5.3618 5.5899 5.5899 5.6428 5.6428 5.7103 5.7103 5.8896 5.8896 6.0031 6.0031 6.2517 6.2517 6.3907 6.3907 6.5127 6.5127 7.0023 7.0023 7.3642 7.3642 9.8311 9.8311 10.1732 10.1732 10.6392 10.6392 11.1879 11.1879 11.9690 11.9690 12.0619 12.0619 k = 0.5000 0.2943 0.2778 ( 3342 PWs) bands (ev): -25.5305 -25.5305 -8.4058 -8.4058 -7.3062 -7.3062 -7.2591 -7.2591 -0.0946 -0.0946 0.0232 0.0232 4.9206 4.9206 5.3728 5.3728 5.5791 5.5791 5.6638 5.6638 5.7221 5.7221 5.8955 5.8955 6.0079 6.0079 6.2526 6.2526 6.4040 6.4040 6.5319 6.5319 7.0621 7.0621 7.3821 7.3821 9.8831 9.8831 10.2539 10.2539 10.7383 10.7383 11.0436 11.0436 11.9288 11.9288 12.1335 12.1335 k = 0.5000 0.2943 0.2593 ( 3342 PWs) bands (ev): -25.5308 -25.5308 -8.4045 -8.4045 -7.3062 -7.3062 -7.2555 -7.2555 -0.1229 -0.1229 0.0084 0.0084 4.9045 4.9045 5.3831 5.3831 5.5689 5.5689 5.6659 5.6659 5.7470 5.7470 5.9037 5.9037 6.0138 6.0138 6.2526 6.2526 6.4171 6.4171 6.5536 6.5536 7.1230 7.1230 7.4023 7.4023 9.9282 9.9282 10.3307 10.3307 10.8369 10.8369 10.9019 10.9019 11.8771 11.8771 12.1929 12.1929 k = 0.5000 0.2943 0.2407 ( 3344 PWs) bands (ev): -25.5311 -25.5311 -8.4033 -8.4033 -7.3061 -7.3061 -7.2520 -7.2520 -0.1493 -0.1493 -0.0063 -0.0063 4.8898 4.8898 5.3927 5.3927 5.5596 5.5596 5.6615 5.6615 5.7714 5.7714 5.9151 5.9151 6.0205 6.0205 6.2516 6.2516 6.4295 6.4295 6.5775 6.5775 7.1844 7.1844 7.4249 7.4249 9.9663 9.9663 10.4041 10.4041 10.7626 10.7626 10.9354 10.9354 11.8149 11.8149 12.2322 12.2322 k = 0.5000 0.2943 0.2222 ( 3336 PWs) bands (ev): -25.5313 -25.5313 -8.4021 -8.4021 -7.3061 -7.3061 -7.2487 -7.2487 -0.1737 -0.1737 -0.0206 -0.0206 4.8764 4.8764 5.4015 5.4015 5.5514 5.5514 5.6553 5.6553 5.7898 5.7898 5.9302 5.9302 6.0279 6.0279 6.2499 6.2499 6.4410 6.4410 6.6035 6.6035 7.2458 7.2458 7.4505 7.4505 9.9978 9.9978 10.4743 10.4743 10.6273 10.6273 11.0324 11.0324 11.7432 11.7432 12.2475 12.2475 k = 0.5000 0.2943 0.2037 ( 3332 PWs) bands (ev): -25.5315 -25.5315 -8.4010 -8.4010 -7.3060 -7.3060 -7.2455 -7.2455 -0.1962 -0.1962 -0.0344 -0.0344 4.8642 4.8642 5.4094 5.4094 5.5440 5.5440 5.6489 5.6489 5.8018 5.8018 5.9482 5.9482 6.0359 6.0359 6.2476 6.2476 6.4516 6.4516 6.6307 6.6307 7.3064 7.3064 7.4790 7.4790 10.0229 10.0229 10.4960 10.4960 10.5419 10.5419 11.1276 11.1276 11.6641 11.6641 12.2394 12.2394 k = 0.5000 0.2943 0.1852 ( 3338 PWs) bands (ev): -25.5317 -25.5317 -8.4000 -8.4000 -7.3060 -7.3060 -7.2426 -7.2426 -0.2168 -0.2168 -0.0476 -0.0476 4.8531 4.8531 5.4165 5.4165 5.5377 5.5377 5.6424 5.6424 5.8086 5.8086 5.9674 5.9674 6.0443 6.0443 6.2448 6.2448 6.4611 6.4611 6.6582 6.6582 7.3656 7.3656 7.5108 7.5108 10.0423 10.0423 10.3698 10.3698 10.6069 10.6069 11.2204 11.2204 11.5808 11.5808 12.2119 12.2119 k = 0.5000 0.2943 0.1667 ( 3338 PWs) bands (ev): -25.5319 -25.5319 -8.3990 -8.3990 -7.3059 -7.3059 -7.2399 -7.2399 -0.2354 -0.2354 -0.0600 -0.0600 4.8433 4.8433 5.4226 5.4226 5.5326 5.5326 5.6362 5.6362 5.8120 5.8120 5.9862 5.9862 6.0531 6.0531 6.2415 6.2415 6.4695 6.4695 6.6854 6.6854 7.4226 7.4226 7.5458 7.5458 10.0567 10.0567 10.2493 10.2493 10.6697 10.6697 11.3099 11.3099 11.4965 11.4965 12.1704 12.1704 k = 0.5000 0.2943 0.1481 ( 3338 PWs) bands (ev): -25.5321 -25.5321 -8.3982 -8.3982 -7.3058 -7.3058 -7.2374 -7.2374 -0.2520 -0.2520 -0.0715 -0.0715 4.8346 4.8346 5.4277 5.4277 5.5287 5.5287 5.6304 5.6304 5.8132 5.8132 6.0035 6.0035 6.0622 6.0622 6.2378 6.2378 6.4771 6.4771 6.7114 6.7114 7.4764 7.4764 7.5835 7.5835 10.0667 10.0667 10.1355 10.1355 10.7303 10.7303 11.3914 11.3914 11.4175 11.4175 12.1200 12.1200 k = 0.5000 0.2943 0.1296 ( 3350 PWs) bands (ev): -25.5322 -25.5322 -8.3974 -8.3974 -7.3058 -7.3058 -7.2352 -7.2352 -0.2667 -0.2667 -0.0819 -0.0819 4.8270 4.8270 5.4318 5.4318 5.5259 5.5259 5.6248 5.6248 5.8130 5.8130 6.0184 6.0184 6.0715 6.0715 6.2339 6.2339 6.4836 6.4836 6.7353 6.7353 7.5266 7.5266 7.6231 7.6231 10.0292 10.0292 10.0734 10.0734 10.7884 10.7884 11.3335 11.3335 11.4767 11.4767 12.0650 12.0650 k = 0.5000 0.2943 0.1111 ( 3350 PWs) bands (ev): -25.5324 -25.5324 -8.3968 -8.3968 -7.3057 -7.3057 -7.2332 -7.2332 -0.2795 -0.2795 -0.0912 -0.0912 4.8205 4.8205 5.4350 5.4350 5.5242 5.5242 5.6199 5.6199 5.8122 5.8122 6.0309 6.0309 6.0811 6.0811 6.2298 6.2298 6.4892 6.4892 6.7568 6.7568 7.5726 7.5726 7.6629 7.6629 9.9322 9.9322 10.0770 10.0770 10.8438 10.8438 11.2613 11.2613 11.5497 11.5497 12.0088 12.0088 k = 0.5000 0.2943 0.0926 ( 3350 PWs) bands (ev): -25.5325 -25.5325 -8.3962 -8.3962 -7.3057 -7.3057 -7.2315 -7.2315 -0.2903 -0.2903 -0.0992 -0.0992 4.8150 4.8150 5.4371 5.4371 5.5234 5.5234 5.6155 5.6155 5.8110 5.8110 6.0409 6.0409 6.0905 6.0905 6.2256 6.2256 6.4941 6.4941 6.7753 6.7753 7.6139 7.6139 7.7011 7.7011 9.8457 9.8457 10.0787 10.0787 10.8955 10.8955 11.1969 11.1969 11.6145 11.6145 11.9547 11.9547 k = 0.5000 0.2943 0.0741 ( 3346 PWs) bands (ev): -25.5326 -25.5326 -8.3957 -8.3957 -7.3056 -7.3056 -7.2301 -7.2301 -0.2991 -0.2991 -0.1059 -0.1059 4.8106 4.8106 5.4386 5.4386 5.5234 5.5234 5.6118 5.6118 5.8097 5.8097 6.0485 6.0485 6.0994 6.0994 6.2216 6.2216 6.4980 6.4980 6.7907 6.7907 7.6500 7.6500 7.7358 7.7358 9.7713 9.7713 10.0789 10.0789 10.9426 10.9426 11.1420 11.1420 11.6687 11.6687 11.9060 11.9060 k = 0.5000 0.2943 0.0556 ( 3342 PWs) bands (ev): -25.5326 -25.5326 -8.3954 -8.3954 -7.3056 -7.3056 -7.2290 -7.2290 -0.3059 -0.3059 -0.1111 -0.1111 4.8072 4.8072 5.4395 5.4395 5.5237 5.5237 5.6088 5.6088 5.8085 5.8085 6.0542 6.0542 6.1070 6.1070 6.2179 6.2179 6.5011 6.5011 6.8026 6.8026 7.6798 7.6798 7.7649 7.7649 9.7108 9.7108 10.0783 10.0783 10.9831 10.9831 11.0980 11.0980 11.7091 11.7091 11.8671 11.8671 k = 0.5000 0.2943 0.0370 ( 3336 PWs) bands (ev): -25.5327 -25.5327 -8.3951 -8.3951 -7.3056 -7.3056 -7.2282 -7.2282 -0.3108 -0.3108 -0.1149 -0.1149 4.8047 4.8047 5.4400 5.4400 5.5242 5.5242 5.6066 5.6066 5.8077 5.8077 6.0581 6.0581 6.1131 6.1131 6.2149 6.2149 6.5032 6.5032 6.8112 6.8112 7.7022 7.7022 7.7871 7.7871 9.6661 9.6661 10.0774 10.0774 11.0150 11.0150 11.0658 11.0658 11.7317 11.7317 11.8435 11.8435 k = 0.5000 0.2943 0.0185 ( 3328 PWs) bands (ev): -25.5327 -25.5327 -8.3949 -8.3949 -7.3056 -7.3056 -7.2277 -7.2277 -0.3138 -0.3138 -0.1172 -0.1172 4.8034 4.8034 5.4403 5.4403 5.5247 5.5247 5.6051 5.6051 5.8071 5.8071 6.0605 6.0605 6.1170 6.1170 6.2129 6.2129 6.5045 6.5045 6.8164 6.8164 7.7161 7.7161 7.8009 7.8009 9.6385 9.6385 10.0767 10.0767 11.0355 11.0355 11.0462 11.0462 11.7374 11.7374 11.8360 11.8360 k = 0.5000 0.2943-0.0000 ( 3332 PWs) bands (ev): -25.5327 -25.5327 -8.3949 -8.3949 -7.3056 -7.3056 -7.2276 -7.2276 -0.3148 -0.3148 -0.1180 -0.1180 4.8028 4.8028 5.4404 5.4404 5.5249 5.5249 5.6046 5.6046 5.8069 5.8069 6.0612 6.0612 6.1183 6.1183 6.2122 6.2122 6.5050 6.5050 6.8180 6.8180 7.7209 7.7209 7.8056 7.8056 9.6292 9.6292 10.0765 10.0765 11.0396 11.0396 11.0428 11.0428 11.7371 11.7371 11.8355 11.8355 k = 0.0000 0.0000 0.9856 ( 3324 PWs) bands (ev): -25.5210 -25.5210 -8.4473 -8.4473 -7.3645 -7.3645 -7.2938 -7.2938 0.0579 0.0579 1.6503 1.6503 4.2016 4.2016 4.2091 4.2091 5.8321 5.8321 5.8904 5.8904 5.9347 5.9347 5.9988 5.9988 6.1248 6.1248 6.2172 6.2172 6.3870 6.3870 6.4308 6.4308 6.4314 6.4314 7.1797 7.1797 7.2393 7.2393 7.7073 7.7073 8.2469 8.2469 11.0619 11.0619 13.2396 13.2396 13.4157 13.4157 k = 0.0156 0.0092 0.9856 ( 3316 PWs) bands (ev): -25.5210 -25.5210 -8.4473 -8.4473 -7.3645 -7.3645 -7.2938 -7.2938 0.0579 0.0579 1.6501 1.6501 4.2016 4.2016 4.2091 4.2091 5.8323 5.8323 5.8904 5.8904 5.9345 5.9345 5.9989 5.9989 6.1248 6.1248 6.2161 6.2161 6.3893 6.3893 6.4307 6.4307 6.4318 6.4318 7.1798 7.1798 7.2391 7.2391 7.7085 7.7085 8.2454 8.2454 11.0536 11.0536 13.2528 13.2528 13.4203 13.4203 k = 0.0312 0.0184 0.9856 ( 3316 PWs) bands (ev): -25.5210 -25.5210 -8.4473 -8.4473 -7.3645 -7.3645 -7.2938 -7.2938 0.0582 0.0582 1.6494 1.6494 4.2014 4.2014 4.2092 4.2092 5.8328 5.8328 5.8904 5.8904 5.9338 5.9338 5.9988 5.9988 6.1248 6.1248 6.2129 6.2129 6.3956 6.3956 6.4306 6.4306 6.4329 6.4329 7.1800 7.1800 7.2385 7.2385 7.7119 7.7119 8.2407 8.2407 11.0292 11.0292 13.2917 13.2917 13.4340 13.4340 k = 0.0469 0.0276 0.9856 ( 3312 PWs) bands (ev): -25.5210 -25.5210 -8.4473 -8.4473 -7.3645 -7.3645 -7.2938 -7.2938 0.0586 0.0586 1.6483 1.6483 4.2012 4.2012 4.2094 4.2094 5.8335 5.8335 5.8904 5.8904 5.9327 5.9327 5.9987 5.9987 6.1248 6.1248 6.2081 6.2081 6.4046 6.4046 6.4306 6.4306 6.4354 6.4354 7.1803 7.1803 7.2375 7.2375 7.7176 7.7176 8.2329 8.2329 10.9910 10.9910 13.3541 13.3541 13.4569 13.4569 k = 0.0625 0.0368 0.9856 ( 3314 PWs) bands (ev): -25.5210 -25.5210 -8.4473 -8.4473 -7.3645 -7.3645 -7.2938 -7.2938 0.0592 0.0592 1.6467 1.6467 4.2009 4.2009 4.2097 4.2097 5.8344 5.8344 5.8904 5.8904 5.9311 5.9311 5.9986 5.9986 6.1249 6.1249 6.2023 6.2023 6.4137 6.4137 6.4306 6.4306 6.4411 6.4411 7.1807 7.1807 7.2362 7.2362 7.7255 7.7255 8.2223 8.2223 10.9418 10.9418 13.4369 13.4369 13.4888 13.4888 k = 0.0781 0.0460 0.9856 ( 3316 PWs) bands (ev): -25.5210 -25.5210 -8.4473 -8.4473 -7.3645 -7.3645 -7.2938 -7.2938 0.0599 0.0599 1.6448 1.6448 4.2005 4.2005 4.2100 4.2100 5.8356 5.8356 5.8903 5.8903 5.9292 5.9292 5.9984 5.9984 6.1249 6.1249 6.1964 6.1964 6.4195 6.4195 6.4306 6.4306 6.4521 6.4521 7.1813 7.1813 7.2345 7.2345 7.7355 7.7355 8.2089 8.2089 10.8849 10.8849 13.5255 13.5255 13.5409 13.5409 k = 0.0938 0.0552 0.9856 ( 3324 PWs) bands (ev): -25.5210 -25.5210 -8.4473 -8.4473 -7.3645 -7.3645 -7.2938 -7.2938 0.0607 0.0607 1.6427 1.6427 4.2001 4.2001 4.2102 4.2102 5.8370 5.8370 5.8903 5.8903 5.9270 5.9270 5.9982 5.9982 6.1249 6.1249 6.1905 6.1905 6.4224 6.4224 6.4305 6.4305 6.4677 6.4677 7.1819 7.1819 7.2325 7.2325 7.7476 7.7476 8.1929 8.1929 10.8233 10.8233 13.5763 13.5763 13.6531 13.6531 k = 0.1094 0.0644 0.9856 ( 3330 PWs) bands (ev): -25.5210 -25.5210 -8.4473 -8.4473 -7.3645 -7.3645 -7.2938 -7.2938 0.0615 0.0615 1.6404 1.6404 4.1997 4.1997 4.2105 4.2105 5.8386 5.8386 5.8901 5.8901 5.9246 5.9246 5.9981 5.9981 6.1249 6.1249 6.1850 6.1850 6.4237 6.4237 6.4306 6.4306 6.4855 6.4855 7.1827 7.1827 7.2303 7.2303 7.7617 7.7617 8.1747 8.1747 10.7600 10.7600 13.6330 13.6330 13.7783 13.7783 k = 0.1250 0.0736 0.9856 ( 3330 PWs) bands (ev): -25.5210 -25.5210 -8.4473 -8.4473 -7.3644 -7.3644 -7.2939 -7.2939 0.0624 0.0624 1.6380 1.6380 4.1993 4.1993 4.2108 4.2108 5.8404 5.8404 5.8900 5.8900 5.9221 5.9221 5.9978 5.9978 6.1250 6.1250 6.1801 6.1801 6.4245 6.4245 6.4306 6.4306 6.5042 6.5042 7.1836 7.1836 7.2280 7.2280 7.7776 7.7776 8.1545 8.1545 10.6974 10.6974 13.6971 13.6971 13.9117 13.9117 k = 0.1406 0.0828 0.9856 ( 3330 PWs) bands (ev): -25.5210 -25.5210 -8.4473 -8.4473 -7.3644 -7.3644 -7.2939 -7.2939 0.0633 0.0633 1.6356 1.6356 4.1989 4.1989 4.2111 4.2111 5.8422 5.8422 5.8899 5.8899 5.9196 5.9196 5.9976 5.9976 6.1251 6.1251 6.1757 6.1757 6.4249 6.4249 6.4306 6.4306 6.5226 6.5226 7.1846 7.1846 7.2256 7.2256 7.7953 7.7953 8.1325 8.1325 10.6376 10.6376 13.7682 13.7682 14.0503 14.0503 k = 0.1562 0.0920 0.9856 ( 3330 PWs) bands (ev): -25.5210 -25.5210 -8.4473 -8.4473 -7.3644 -7.3644 -7.2939 -7.2939 0.0642 0.0642 1.6333 1.6333 4.1986 4.1986 4.2113 4.2113 5.8441 5.8441 5.8898 5.8898 5.9172 5.9172 5.9974 5.9974 6.1253 6.1253 6.1720 6.1720 6.4252 6.4252 6.4305 6.4305 6.5402 6.5402 7.1857 7.1857 7.2232 7.2232 7.8145 7.8145 8.1091 8.1091 10.5824 10.5824 13.8458 13.8458 14.1912 14.1912 k = 0.1719 0.1012 0.9856 ( 3330 PWs) bands (ev): -25.5210 -25.5210 -8.4473 -8.4473 -7.3644 -7.3644 -7.2939 -7.2939 0.0650 0.0650 1.6312 1.6312 4.1983 4.1983 4.2115 4.2115 5.8459 5.8459 5.8896 5.8896 5.9149 5.9149 5.9972 5.9972 6.1254 6.1254 6.1688 6.1688 6.4253 6.4253 6.4305 6.4305 6.5562 6.5562 7.1868 7.1868 7.2209 7.2209 7.8353 7.8353 8.0846 8.0846 10.5333 10.5333 13.9296 13.9296 14.3307 14.3307 k = 0.1875 0.1104 0.9856 ( 3330 PWs) bands (ev): -25.5210 -25.5210 -8.4473 -8.4473 -7.3644 -7.3644 -7.2939 -7.2939 0.0657 0.0657 1.6293 1.6293 4.1980 4.1980 4.2117 4.2117 5.8476 5.8476 5.8894 5.8894 5.9128 5.9128 5.9970 5.9970 6.1255 6.1255 6.1663 6.1663 6.4255 6.4255 6.4305 6.4305 6.5702 6.5702 7.1879 7.1879 7.2187 7.2187 7.8573 7.8573 8.0592 8.0592 10.4914 10.4914 14.0187 14.0187 14.4645 14.4645 k = 0.2031 0.1196 0.9856 ( 3330 PWs) bands (ev): -25.5210 -25.5210 -8.4473 -8.4473 -7.3644 -7.3644 -7.2939 -7.2939 0.0662 0.0662 1.6278 1.6278 4.1977 4.1977 4.2119 4.2119 5.8491 5.8491 5.8891 5.8891 5.9112 5.9112 5.9968 5.9968 6.1257 6.1257 6.1644 6.1644 6.4255 6.4255 6.4306 6.4306 6.5816 6.5816 7.1889 7.1889 7.2168 7.2168 7.8805 7.8805 8.0333 8.0333 10.4578 10.4578 14.1128 14.1128 14.5861 14.5861 k = 0.2188 0.1288 0.9856 ( 3332 PWs) bands (ev): -25.5210 -25.5210 -8.4473 -8.4473 -7.3644 -7.3644 -7.2939 -7.2939 0.0667 0.0667 1.6267 1.6267 4.1976 4.1976 4.2120 4.2120 5.8503 5.8503 5.8889 5.8889 5.9099 5.9099 5.9966 5.9966 6.1257 6.1257 6.1629 6.1629 6.4256 6.4256 6.4305 6.4305 6.5901 6.5901 7.1899 7.1899 7.2153 7.2153 7.9047 7.9047 8.0071 8.0071 10.4332 10.4332 14.2109 14.2109 14.6327 14.6327 k = 0.2344 0.1380 0.9856 ( 3332 PWs) bands (ev): -25.5210 -25.5210 -8.4473 -8.4473 -7.3644 -7.3644 -7.2940 -7.2940 0.0669 0.0669 1.6260 1.6260 4.1975 4.1975 4.2121 4.2121 5.8510 5.8510 5.8887 5.8887 5.9091 5.9091 5.9965 5.9965 6.1258 6.1258 6.1621 6.1621 6.4256 6.4256 6.4305 6.4305 6.5952 6.5952 7.1905 7.1905 7.2142 7.2142 7.9292 7.9292 7.9814 7.9814 10.4182 10.4182 14.3123 14.3123 14.5265 14.5265 k = 0.2500 0.1472 0.9856 ( 3336 PWs) bands (ev): -25.5210 -25.5210 -8.4473 -8.4473 -7.3644 -7.3644 -7.2940 -7.2940 0.0670 0.0670 1.6257 1.6257 4.1974 4.1974 4.2121 4.2121 5.8512 5.8512 5.8887 5.8887 5.9088 5.9088 5.9965 5.9965 6.1258 6.1258 6.1618 6.1618 6.4256 6.4256 6.4305 6.4305 6.5970 6.5970 7.1908 7.1908 7.2137 7.2137 7.9470 7.9470 7.9632 7.9632 10.4132 10.4132 14.4056 14.4056 14.4313 14.4313 Writing output data file SrxCuGex2.save init_run : 0.32s CPU 0.49s WALL ( 1 calls) electrons : 154.73s CPU 157.58s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 154.73s CPU 157.57s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.06s WALL ( 343 calls) cegterg : 137.91s CPU 139.46s WALL ( 358 calls) Called by sum_band: Called by *egterg: h_psi : 99.96s CPU 101.58s WALL ( 6187 calls) s_psi : 3.80s CPU 3.70s WALL ( 6187 calls) g_psi : 0.15s CPU 0.16s WALL ( 5486 calls) cdiaghg : 38.03s CPU 38.61s WALL ( 5829 calls) cegterg:over : 4.11s CPU 3.94s WALL ( 5486 calls) cegterg:upda : 3.17s CPU 3.06s WALL ( 5486 calls) cegterg:last : 1.86s CPU 1.84s WALL ( 1044 calls) cdiaghg:chol : 2.16s CPU 2.14s WALL ( 5829 calls) cdiaghg:inve : 1.47s CPU 1.42s WALL ( 5829 calls) cdiaghg:para : 2.12s CPU 2.23s WALL ( 11658 calls) Called by h_psi: h_psi:vloc : 91.81s CPU 93.05s WALL ( 6187 calls) h_psi:vnl : 8.01s CPU 8.37s WALL ( 6187 calls) add_vuspsi : 4.11s CPU 4.32s WALL ( 6187 calls) General routines calbec : 3.88s CPU 4.03s WALL ( 6187 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 86.84s CPU 87.92s WALL ( 687420 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.17s CPU 0.23s WALL ( 686 calls) Parallel routines fft_scatter : 26.61s CPU 26.88s WALL ( 687443 calls) PWSCF : 2m49.71s CPU 3m13.72s WALL This run was terminated on: 17:36:45 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=