Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:20:36 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: ./LiFeO2.save/ file Fe.rel-pbe-n-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 80 80 22 1895 1895 280 Max 81 81 23 1899 1899 284 Sum 2915 2915 823 68329 68329 10145 bravais-lattice index = 14 lattice parameter (alat) = 9.8742 a.u. unit-cell volume = 483.5851 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 46.00 number of Kohn-Sham states= 56 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.874219 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.699767 celldm(5)= -0.699767 celldm(6)= 0.399535 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.399535 0.916718 0.000000 ) a(3) = ( -0.699767 -0.458359 0.547935 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.435832 0.912517 ) b(2) = ( 0.000000 1.090848 0.912517 ) b(3) = ( 0.000000 0.000000 1.825035 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 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 Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 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 Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Fe 8.00 55.84500 Fe( 1.00) Li 3.00 6.94100 Li( 1.00) 4 Sym. Ops., with inversion, found ( 3 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 1 1 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.3002325 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( -0.4583590 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( -1 -1 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.1997675 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.4583590 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 367 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 2) = ( 0.0000000 0.0000000 0.0165912), wk = 0.0027248 k( 3) = ( 0.0000000 0.0000000 0.0331825), wk = 0.0027248 k( 4) = ( 0.0000000 0.0000000 0.0497737), wk = 0.0027248 k( 5) = ( 0.0000000 0.0000000 0.0663649), wk = 0.0027248 k( 6) = ( 0.0000000 0.0000000 0.0829561), wk = 0.0027248 k( 7) = ( 0.0000000 0.0000000 0.0995473), wk = 0.0027248 k( 8) = ( 0.0000000 0.0000000 0.1161386), wk = 0.0027248 k( 9) = ( 0.0000000 0.0000000 0.1327298), wk = 0.0027248 k( 10) = ( 0.0000000 0.0000000 0.1493210), wk = 0.0027248 k( 11) = ( 0.0000000 0.0000000 0.1659123), wk = 0.0027248 k( 12) = ( 0.0000000 0.0000000 0.1825035), wk = 0.0027248 k( 13) = ( 0.0000000 0.0000000 0.1990947), wk = 0.0027248 k( 14) = ( 0.0000000 0.0000000 0.2156859), wk = 0.0027248 k( 15) = ( 0.0000000 0.0000000 0.2322772), wk = 0.0027248 k( 16) = ( 0.0000000 0.0000000 0.2488684), wk = 0.0027248 k( 17) = ( 0.0000000 0.0000000 0.2654596), wk = 0.0027248 k( 18) = ( 0.0000000 0.0000000 0.2820508), wk = 0.0027248 k( 19) = ( 0.0000000 0.0000000 0.2986420), wk = 0.0027248 k( 20) = ( 0.0000000 0.0000000 0.3152333), wk = 0.0027248 k( 21) = ( 0.0000000 0.0000000 0.3318245), wk = 0.0027248 k( 22) = ( 0.0000000 0.0000000 0.3484157), wk = 0.0027248 k( 23) = ( 0.0000000 0.0000000 0.3650070), wk = 0.0027248 k( 24) = ( 0.0000000 0.0000000 0.3815982), wk = 0.0027248 k( 25) = ( 0.0000000 0.0000000 0.3981894), wk = 0.0027248 k( 26) = ( 0.0000000 0.0000000 0.4147806), wk = 0.0027248 k( 27) = ( 0.0000000 0.0000000 0.4313719), wk = 0.0027248 k( 28) = ( 0.0000000 0.0000000 0.4479631), wk = 0.0027248 k( 29) = ( 0.0000000 0.0000000 0.4645543), wk = 0.0027248 k( 30) = ( 0.0000000 0.0000000 0.4811455), wk = 0.0027248 k( 31) = ( 0.0000000 0.0000000 0.4977368), wk = 0.0027248 k( 32) = ( 0.0000000 0.0000000 0.5143280), wk = 0.0027248 k( 33) = ( 0.0000000 0.0000000 0.5309192), wk = 0.0027248 k( 34) = ( 0.0000000 0.0000000 0.5475104), wk = 0.0027248 k( 35) = ( 0.0000000 0.0000000 0.5641017), wk = 0.0027248 k( 36) = ( 0.0000000 0.0000000 0.5806929), wk = 0.0027248 k( 37) = ( 0.0000000 0.0000000 0.5972841), wk = 0.0027248 k( 38) = ( 0.0000000 0.0000000 0.6138753), wk = 0.0027248 k( 39) = ( 0.0000000 0.0000000 0.6304666), wk = 0.0027248 k( 40) = ( 0.0000000 0.0000000 0.6470578), wk = 0.0027248 k( 41) = ( 0.0000000 0.0000000 0.6636490), wk = 0.0027248 k( 42) = ( 0.0000000 0.0000000 0.6802402), wk = 0.0027248 k( 43) = ( 0.0000000 0.0000000 0.6968315), wk = 0.0027248 k( 44) = ( 0.0000000 0.0000000 0.7134227), wk = 0.0027248 k( 45) = ( 0.0000000 0.0000000 0.7300139), wk = 0.0027248 k( 46) = ( 0.0000000 0.0000000 0.7466051), wk = 0.0027248 k( 47) = ( 0.0000000 0.0000000 0.7631964), wk = 0.0027248 k( 48) = ( 0.0000000 0.0000000 0.7797876), wk = 0.0027248 k( 49) = ( 0.0000000 0.0000000 0.7963788), wk = 0.0027248 k( 50) = ( 0.0000000 0.0000000 0.8129700), wk = 0.0027248 k( 51) = ( 0.0000000 0.0000000 0.8295613), wk = 0.0027248 k( 52) = ( 0.0000000 0.0000000 0.8461525), wk = 0.0027248 k( 53) = ( 0.0000000 0.0000000 0.8627437), wk = 0.0027248 k( 54) = ( 0.0000000 0.0000000 0.8793349), wk = 0.0027248 k( 55) = ( 0.0000000 0.0000000 0.8959262), wk = 0.0027248 k( 56) = ( 0.0000000 0.0000000 0.9125174), wk = 0.0027248 k( 57) = ( 0.0000000 0.0000000 0.9125174), wk = 0.0027248 k( 58) = ( -0.0089385 0.0136462 0.9125174), wk = 0.0027248 k( 59) = ( -0.0178769 0.0272923 0.9125174), wk = 0.0027248 k( 60) = ( -0.0268154 0.0409385 0.9125174), wk = 0.0027248 k( 61) = ( -0.0357538 0.0545847 0.9125174), wk = 0.0027248 k( 62) = ( -0.0446923 0.0682308 0.9125174), wk = 0.0027248 k( 63) = ( -0.0536308 0.0818770 0.9125174), wk = 0.0027248 k( 64) = ( -0.0625692 0.0955232 0.9125174), wk = 0.0027248 k( 65) = ( -0.0715077 0.1091693 0.9125174), wk = 0.0027248 k( 66) = ( -0.0804461 0.1228155 0.9125174), wk = 0.0027248 k( 67) = ( -0.0893846 0.1364617 0.9125174), wk = 0.0027248 k( 68) = ( -0.0983231 0.1501079 0.9125174), wk = 0.0027248 k( 69) = ( -0.1072615 0.1637540 0.9125174), wk = 0.0027248 k( 70) = ( -0.1072615 0.1637540 0.9125174), wk = 0.0027248 k( 71) = ( -0.1135960 0.1734248 0.9009567), wk = 0.0027248 k( 72) = ( -0.1199305 0.1830955 0.8893961), wk = 0.0027248 k( 73) = ( -0.1262650 0.1927663 0.8778354), wk = 0.0027248 k( 74) = ( -0.1325995 0.2024370 0.8662747), wk = 0.0027248 k( 75) = ( -0.1389340 0.2121077 0.8547140), wk = 0.0027248 k( 76) = ( -0.1452685 0.2217785 0.8431534), wk = 0.0027248 k( 77) = ( -0.1516030 0.2314492 0.8315927), wk = 0.0027248 k( 78) = ( -0.1579375 0.2411200 0.8200321), wk = 0.0027248 k( 79) = ( -0.1642719 0.2507907 0.8084714), wk = 0.0027248 k( 80) = ( -0.1706064 0.2604614 0.7969107), wk = 0.0027248 k( 81) = ( -0.1769409 0.2701322 0.7853500), wk = 0.0027248 k( 82) = ( -0.1832754 0.2798029 0.7737894), wk = 0.0027248 k( 83) = ( -0.1896099 0.2894737 0.7622287), wk = 0.0027248 k( 84) = ( -0.1959444 0.2991444 0.7506680), wk = 0.0027248 k( 85) = ( -0.2022789 0.3088152 0.7391074), wk = 0.0027248 k( 86) = ( -0.2086134 0.3184859 0.7275467), wk = 0.0027248 k( 87) = ( -0.2149479 0.3281566 0.7159860), wk = 0.0027248 k( 88) = ( -0.2212824 0.3378274 0.7044254), wk = 0.0027248 k( 89) = ( -0.2276169 0.3474981 0.6928647), wk = 0.0027248 k( 90) = ( -0.2339514 0.3571689 0.6813040), wk = 0.0027248 k( 91) = ( -0.2402858 0.3668396 0.6697434), wk = 0.0027248 k( 92) = ( -0.2466203 0.3765104 0.6581827), wk = 0.0027248 k( 93) = ( -0.2529548 0.3861811 0.6466220), wk = 0.0027248 k( 94) = ( -0.2592893 0.3958518 0.6350614), wk = 0.0027248 k( 95) = ( -0.2656238 0.4055226 0.6235007), wk = 0.0027248 k( 96) = ( -0.2719583 0.4151933 0.6119400), wk = 0.0027248 k( 97) = ( -0.2782928 0.4248640 0.6003794), wk = 0.0027248 k( 98) = ( -0.2846273 0.4345348 0.5888187), wk = 0.0027248 k( 99) = ( -0.2909618 0.4442055 0.5772580), wk = 0.0027248 k( 100) = ( -0.2972963 0.4538763 0.5656974), wk = 0.0027248 k( 101) = ( -0.3036308 0.4635470 0.5541367), wk = 0.0027248 k( 102) = ( -0.3036308 0.4635470 0.5541367), wk = 0.0027248 k( 103) = ( -0.2973051 0.4538898 0.5425922), wk = 0.0027248 k( 104) = ( -0.2909795 0.4442326 0.5310477), wk = 0.0027248 k( 105) = ( -0.2846538 0.4345753 0.5195032), wk = 0.0027248 k( 106) = ( -0.2783282 0.4249181 0.5079586), wk = 0.0027248 k( 107) = ( -0.2720026 0.4152609 0.4964141), wk = 0.0027248 k( 108) = ( -0.2656769 0.4056037 0.4848696), wk = 0.0027248 k( 109) = ( -0.2593513 0.3959464 0.4733251), wk = 0.0027248 k( 110) = ( -0.2530256 0.3862892 0.4617806), wk = 0.0027248 k( 111) = ( -0.2467000 0.3766320 0.4502361), wk = 0.0027248 k( 112) = ( -0.2403743 0.3669747 0.4386915), wk = 0.0027248 k( 113) = ( -0.2340487 0.3573175 0.4271470), wk = 0.0027248 k( 114) = ( -0.2277231 0.3476603 0.4156025), wk = 0.0027248 k( 115) = ( -0.2213974 0.3380030 0.4040580), wk = 0.0027248 k( 116) = ( -0.2150718 0.3283458 0.3925135), wk = 0.0027248 k( 117) = ( -0.2087461 0.3186886 0.3809690), wk = 0.0027248 k( 118) = ( -0.2024205 0.3090314 0.3694245), wk = 0.0027248 k( 119) = ( -0.1960949 0.2993741 0.3578800), wk = 0.0027248 k( 120) = ( -0.1897692 0.2897169 0.3463354), wk = 0.0027248 k( 121) = ( -0.1834436 0.2800597 0.3347909), wk = 0.0027248 k( 122) = ( -0.1771179 0.2704024 0.3232464), wk = 0.0027248 k( 123) = ( -0.1707923 0.2607452 0.3117019), wk = 0.0027248 k( 124) = ( -0.1644667 0.2510880 0.3001574), wk = 0.0027248 k( 125) = ( -0.1581410 0.2414307 0.2886129), wk = 0.0027248 k( 126) = ( -0.1518154 0.2317735 0.2770683), wk = 0.0027248 k( 127) = ( -0.1454897 0.2221163 0.2655238), wk = 0.0027248 k( 128) = ( -0.1391641 0.2124591 0.2539793), wk = 0.0027248 k( 129) = ( -0.1328385 0.2028018 0.2424348), wk = 0.0027248 k( 130) = ( -0.1265128 0.1931446 0.2308903), wk = 0.0027248 k( 131) = ( -0.1201872 0.1834874 0.2193458), wk = 0.0027248 k( 132) = ( -0.1138615 0.1738301 0.2078013), wk = 0.0027248 k( 133) = ( -0.1075359 0.1641729 0.1962567), wk = 0.0027248 k( 134) = ( -0.1012103 0.1545157 0.1847122), wk = 0.0027248 k( 135) = ( -0.0948846 0.1448584 0.1731677), wk = 0.0027248 k( 136) = ( -0.0885590 0.1352012 0.1616232), wk = 0.0027248 k( 137) = ( -0.0822333 0.1255440 0.1500787), wk = 0.0027248 k( 138) = ( -0.0759077 0.1158868 0.1385342), wk = 0.0027248 k( 139) = ( -0.0695821 0.1062295 0.1269897), wk = 0.0027248 k( 140) = ( -0.0632564 0.0965723 0.1154451), wk = 0.0027248 k( 141) = ( -0.0569308 0.0869151 0.1039006), wk = 0.0027248 k( 142) = ( -0.0506051 0.0772578 0.0923561), wk = 0.0027248 k( 143) = ( -0.0442795 0.0676006 0.0808116), wk = 0.0027248 k( 144) = ( -0.0379538 0.0579434 0.0692671), wk = 0.0027248 k( 145) = ( -0.0316282 0.0482861 0.0577226), wk = 0.0027248 k( 146) = ( -0.0253026 0.0386289 0.0461781), wk = 0.0027248 k( 147) = ( -0.0189769 0.0289717 0.0346335), wk = 0.0027248 k( 148) = ( -0.0126513 0.0193145 0.0230890), wk = 0.0027248 k( 149) = ( -0.0063256 0.0096572 0.0115445), wk = 0.0027248 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 152) = ( 0.0138889 0.0090974 -0.0000000), wk = 0.0027248 k( 153) = ( 0.0277778 0.0181949 -0.0000000), wk = 0.0027248 k( 154) = ( 0.0416667 0.0272923 -0.0000000), wk = 0.0027248 k( 155) = ( 0.0555556 0.0363898 -0.0000000), wk = 0.0027248 k( 156) = ( 0.0694444 0.0454872 -0.0000000), wk = 0.0027248 k( 157) = ( 0.0833333 0.0545847 -0.0000000), wk = 0.0027248 k( 158) = ( 0.0972222 0.0636821 -0.0000000), wk = 0.0027248 k( 159) = ( 0.1111111 0.0727796 -0.0000000), wk = 0.0027248 k( 160) = ( 0.1250000 0.0818770 -0.0000000), wk = 0.0027248 k( 161) = ( 0.1388889 0.0909745 -0.0000000), wk = 0.0027248 k( 162) = ( 0.1527778 0.1000719 -0.0000000), wk = 0.0027248 k( 163) = ( 0.1666667 0.1091694 -0.0000000), wk = 0.0027248 k( 164) = ( 0.1805556 0.1182668 -0.0000000), wk = 0.0027248 k( 165) = ( 0.1944444 0.1273642 -0.0000000), wk = 0.0027248 k( 166) = ( 0.2083333 0.1364617 -0.0000000), wk = 0.0027248 k( 167) = ( 0.2222222 0.1455591 -0.0000000), wk = 0.0027248 k( 168) = ( 0.2361111 0.1546566 -0.0000000), wk = 0.0027248 k( 169) = ( 0.2500000 0.1637540 -0.0000000), wk = 0.0027248 k( 170) = ( 0.2638889 0.1728515 -0.0000000), wk = 0.0027248 k( 171) = ( 0.2777778 0.1819489 -0.0000000), wk = 0.0027248 k( 172) = ( 0.2916667 0.1910464 -0.0000000), wk = 0.0027248 k( 173) = ( 0.3055556 0.2001438 -0.0000000), wk = 0.0027248 k( 174) = ( 0.3194444 0.2092413 -0.0000000), wk = 0.0027248 k( 175) = ( 0.3333333 0.2183387 -0.0000000), wk = 0.0027248 k( 176) = ( 0.3472222 0.2274361 -0.0000000), wk = 0.0027248 k( 177) = ( 0.3611111 0.2365336 -0.0000000), wk = 0.0027248 k( 178) = ( 0.3750000 0.2456310 -0.0000000), wk = 0.0027248 k( 179) = ( 0.3888889 0.2547285 -0.0000000), wk = 0.0027248 k( 180) = ( 0.4027778 0.2638259 -0.0000000), wk = 0.0027248 k( 181) = ( 0.4166667 0.2729234 -0.0000000), wk = 0.0027248 k( 182) = ( 0.4305556 0.2820208 -0.0000000), wk = 0.0027248 k( 183) = ( 0.4444444 0.2911183 -0.0000000), wk = 0.0027248 k( 184) = ( 0.4583333 0.3002157 -0.0000000), wk = 0.0027248 k( 185) = ( 0.4722222 0.3093132 -0.0000000), wk = 0.0027248 k( 186) = ( 0.4861111 0.3184106 -0.0000000), wk = 0.0027248 k( 187) = ( 0.5000000 0.3275080 -0.0000000), wk = 0.0027248 k( 188) = ( 0.5000000 0.3275080 -0.0000000), wk = 0.0027248 k( 189) = ( 0.4936655 0.3371788 0.0115607), wk = 0.0027248 k( 190) = ( 0.4873310 0.3468495 0.0231213), wk = 0.0027248 k( 191) = ( 0.4809965 0.3565203 0.0346820), wk = 0.0027248 k( 192) = ( 0.4746620 0.3661910 0.0462427), wk = 0.0027248 k( 193) = ( 0.4683275 0.3758618 0.0578033), wk = 0.0027248 k( 194) = ( 0.4619931 0.3855325 0.0693640), wk = 0.0027248 k( 195) = ( 0.4556586 0.3952032 0.0809247), wk = 0.0027248 k( 196) = ( 0.4493241 0.4048740 0.0924853), wk = 0.0027248 k( 197) = ( 0.4429896 0.4145447 0.1040460), wk = 0.0027248 k( 198) = ( 0.4366551 0.4242155 0.1156067), wk = 0.0027248 k( 199) = ( 0.4303206 0.4338862 0.1271673), wk = 0.0027248 k( 200) = ( 0.4239861 0.4435570 0.1387280), wk = 0.0027248 k( 201) = ( 0.4176516 0.4532277 0.1502887), wk = 0.0027248 k( 202) = ( 0.4113171 0.4628984 0.1618493), wk = 0.0027248 k( 203) = ( 0.4049826 0.4725692 0.1734100), wk = 0.0027248 k( 204) = ( 0.3986481 0.4822399 0.1849707), wk = 0.0027248 k( 205) = ( 0.3923136 0.4919107 0.1965314), wk = 0.0027248 k( 206) = ( 0.3859791 0.5015814 0.2080920), wk = 0.0027248 k( 207) = ( 0.3796447 0.5112521 0.2196527), wk = 0.0027248 k( 208) = ( 0.3733102 0.5209229 0.2312133), wk = 0.0027248 k( 209) = ( 0.3669757 0.5305936 0.2427740), wk = 0.0027248 k( 210) = ( 0.3606412 0.5402644 0.2543347), wk = 0.0027248 k( 211) = ( 0.3543067 0.5499351 0.2658954), wk = 0.0027248 k( 212) = ( 0.3479722 0.5596059 0.2774560), wk = 0.0027248 k( 213) = ( 0.3416377 0.5692766 0.2890167), wk = 0.0027248 k( 214) = ( 0.3353032 0.5789473 0.3005774), wk = 0.0027248 k( 215) = ( 0.3289687 0.5886181 0.3121380), wk = 0.0027248 k( 216) = ( 0.3226342 0.5982888 0.3236987), wk = 0.0027248 k( 217) = ( 0.3162997 0.6079596 0.3352594), wk = 0.0027248 k( 218) = ( 0.3099653 0.6176303 0.3468200), wk = 0.0027248 k( 219) = ( 0.3036308 0.6273010 0.3583807), wk = 0.0027248 k( 220) = ( 0.3036308 0.6273010 0.3583807), wk = 0.0027248 k( 221) = ( 0.2884492 0.6232072 0.3632746), wk = 0.0027248 k( 222) = ( 0.2732677 0.6191134 0.3681685), wk = 0.0027248 k( 223) = ( 0.2580862 0.6150195 0.3730624), wk = 0.0027248 k( 224) = ( 0.2429046 0.6109256 0.3779563), wk = 0.0027248 k( 225) = ( 0.2277231 0.6068318 0.3828502), wk = 0.0027248 k( 226) = ( 0.2125415 0.6027379 0.3877441), wk = 0.0027248 k( 227) = ( 0.1973600 0.5986441 0.3926380), wk = 0.0027248 k( 228) = ( 0.1821785 0.5945502 0.3975319), wk = 0.0027248 k( 229) = ( 0.1669969 0.5904564 0.4024258), wk = 0.0027248 k( 230) = ( 0.1518154 0.5863625 0.4073197), wk = 0.0027248 k( 231) = ( 0.1366338 0.5822687 0.4122136), wk = 0.0027248 k( 232) = ( 0.1214523 0.5781748 0.4171075), wk = 0.0027248 k( 233) = ( 0.1062708 0.5740810 0.4220014), wk = 0.0027248 k( 234) = ( 0.0910892 0.5699871 0.4268953), wk = 0.0027248 k( 235) = ( 0.0759077 0.5658933 0.4317892), wk = 0.0027248 k( 236) = ( 0.0607261 0.5617994 0.4366831), wk = 0.0027248 k( 237) = ( 0.0455446 0.5577056 0.4415770), wk = 0.0027248 k( 238) = ( 0.0303631 0.5536117 0.4464709), wk = 0.0027248 k( 239) = ( 0.0151815 0.5495179 0.4513648), wk = 0.0027248 k( 240) = ( 0.0000000 0.5454240 0.4562587), wk = 0.0027248 k( 241) = ( 0.0000000 0.5454240 0.4562587), wk = 0.0027248 k( 242) = ( 0.0064103 0.5356376 0.4679576), wk = 0.0027248 k( 243) = ( 0.0128205 0.5258512 0.4796566), wk = 0.0027248 k( 244) = ( 0.0192308 0.5160648 0.4913555), wk = 0.0027248 k( 245) = ( 0.0256410 0.5062784 0.5030545), wk = 0.0027248 k( 246) = ( 0.0320513 0.4964920 0.5147534), wk = 0.0027248 k( 247) = ( 0.0384615 0.4867056 0.5264523), wk = 0.0027248 k( 248) = ( 0.0448718 0.4769192 0.5381513), wk = 0.0027248 k( 249) = ( 0.0512821 0.4671328 0.5498502), wk = 0.0027248 k( 250) = ( 0.0576923 0.4573463 0.5615492), wk = 0.0027248 k( 251) = ( 0.0641026 0.4475599 0.5732481), wk = 0.0027248 k( 252) = ( 0.0705128 0.4377735 0.5849470), wk = 0.0027248 k( 253) = ( 0.0769231 0.4279871 0.5966460), wk = 0.0027248 k( 254) = ( 0.0833333 0.4182007 0.6083449), wk = 0.0027248 k( 255) = ( 0.0897436 0.4084143 0.6200439), wk = 0.0027248 k( 256) = ( 0.0961538 0.3986279 0.6317428), wk = 0.0027248 k( 257) = ( 0.1025641 0.3888415 0.6434417), wk = 0.0027248 k( 258) = ( 0.1089744 0.3790551 0.6551407), wk = 0.0027248 k( 259) = ( 0.1153846 0.3692686 0.6668396), wk = 0.0027248 k( 260) = ( 0.1217949 0.3594822 0.6785386), wk = 0.0027248 k( 261) = ( 0.1282051 0.3496958 0.6902375), wk = 0.0027248 k( 262) = ( 0.1346154 0.3399094 0.7019364), wk = 0.0027248 k( 263) = ( 0.1410256 0.3301230 0.7136354), wk = 0.0027248 k( 264) = ( 0.1474359 0.3203366 0.7253343), wk = 0.0027248 k( 265) = ( 0.1538461 0.3105502 0.7370333), wk = 0.0027248 k( 266) = ( 0.1602564 0.3007638 0.7487322), wk = 0.0027248 k( 267) = ( 0.1666667 0.2909774 0.7604312), wk = 0.0027248 k( 268) = ( 0.1730769 0.2811910 0.7721301), wk = 0.0027248 k( 269) = ( 0.1794872 0.2714045 0.7838290), wk = 0.0027248 k( 270) = ( 0.1858974 0.2616181 0.7955280), wk = 0.0027248 k( 271) = ( 0.1923077 0.2518317 0.8072269), wk = 0.0027248 k( 272) = ( 0.1987180 0.2420453 0.8189259), wk = 0.0027248 k( 273) = ( 0.2051282 0.2322589 0.8306248), wk = 0.0027248 k( 274) = ( 0.2115385 0.2224725 0.8423237), wk = 0.0027248 k( 275) = ( 0.2179487 0.2126861 0.8540227), wk = 0.0027248 k( 276) = ( 0.2243590 0.2028997 0.8657216), wk = 0.0027248 k( 277) = ( 0.2307692 0.1931133 0.8774206), wk = 0.0027248 k( 278) = ( 0.2371795 0.1833268 0.8891195), wk = 0.0027248 k( 279) = ( 0.2435897 0.1735404 0.9008184), wk = 0.0027248 k( 280) = ( 0.2500000 0.1637540 0.9125174), wk = 0.0027248 k( 281) = ( 0.2500000 0.1637540 0.9125174), wk = 0.0027248 k( 282) = ( 0.2613636 0.1711974 0.9036194), wk = 0.0027248 k( 283) = ( 0.2727273 0.1786408 0.8947214), wk = 0.0027248 k( 284) = ( 0.2840909 0.1860841 0.8858234), wk = 0.0027248 k( 285) = ( 0.2954545 0.1935275 0.8769254), wk = 0.0027248 k( 286) = ( 0.3068182 0.2009708 0.8680274), wk = 0.0027248 k( 287) = ( 0.3181818 0.2084142 0.8591294), wk = 0.0027248 k( 288) = ( 0.3295455 0.2158576 0.8502314), wk = 0.0027248 k( 289) = ( 0.3409091 0.2233009 0.8413334), wk = 0.0027248 k( 290) = ( 0.3522727 0.2307443 0.8324354), wk = 0.0027248 k( 291) = ( 0.3636364 0.2381877 0.8235374), wk = 0.0027248 k( 292) = ( 0.3750000 0.2456310 0.8146394), wk = 0.0027248 k( 293) = ( 0.3863636 0.2530744 0.8057414), wk = 0.0027248 k( 294) = ( 0.3977273 0.2605178 0.7968434), wk = 0.0027248 k( 295) = ( 0.4090909 0.2679611 0.7879454), wk = 0.0027248 k( 296) = ( 0.4204545 0.2754045 0.7790474), wk = 0.0027248 k( 297) = ( 0.4318182 0.2828479 0.7701494), wk = 0.0027248 k( 298) = ( 0.4431818 0.2902912 0.7612514), wk = 0.0027248 k( 299) = ( 0.4545455 0.2977346 0.7523534), wk = 0.0027248 k( 300) = ( 0.4659091 0.3051780 0.7434554), wk = 0.0027248 k( 301) = ( 0.4772727 0.3126213 0.7345574), wk = 0.0027248 k( 302) = ( 0.4886364 0.3200647 0.7256594), wk = 0.0027248 k( 303) = ( 0.5000000 0.3275080 0.7167614), wk = 0.0027248 k( 304) = ( 0.5000000 0.3275080 0.7167614), wk = 0.0027248 k( 305) = ( 0.5000000 0.3275080 0.7004713), wk = 0.0027248 k( 306) = ( 0.5000000 0.3275080 0.6841813), wk = 0.0027248 k( 307) = ( 0.5000000 0.3275080 0.6678913), wk = 0.0027248 k( 308) = ( 0.5000000 0.3275080 0.6516013), wk = 0.0027248 k( 309) = ( 0.5000000 0.3275080 0.6353112), wk = 0.0027248 k( 310) = ( 0.5000000 0.3275080 0.6190212), wk = 0.0027248 k( 311) = ( 0.5000000 0.3275080 0.6027312), wk = 0.0027248 k( 312) = ( 0.5000000 0.3275080 0.5864411), wk = 0.0027248 k( 313) = ( 0.5000000 0.3275080 0.5701511), wk = 0.0027248 k( 314) = ( 0.5000000 0.3275080 0.5538611), wk = 0.0027248 k( 315) = ( 0.5000000 0.3275080 0.5375710), wk = 0.0027248 k( 316) = ( 0.5000000 0.3275080 0.5212810), wk = 0.0027248 k( 317) = ( 0.5000000 0.3275080 0.5049910), wk = 0.0027248 k( 318) = ( 0.5000000 0.3275080 0.4887010), wk = 0.0027248 k( 319) = ( 0.5000000 0.3275080 0.4724109), wk = 0.0027248 k( 320) = ( 0.5000000 0.3275080 0.4561209), wk = 0.0027248 k( 321) = ( 0.5000000 0.3275080 0.4398308), wk = 0.0027248 k( 322) = ( 0.5000000 0.3275080 0.4235408), wk = 0.0027248 k( 323) = ( 0.5000000 0.3275080 0.4072508), wk = 0.0027248 k( 324) = ( 0.5000000 0.3275080 0.3909608), wk = 0.0027248 k( 325) = ( 0.5000000 0.3275080 0.3746707), wk = 0.0027248 k( 326) = ( 0.5000000 0.3275080 0.3583807), wk = 0.0027248 k( 327) = ( 0.5000000 0.3275080 0.3420907), wk = 0.0027248 k( 328) = ( 0.5000000 0.3275080 0.3258006), wk = 0.0027248 k( 329) = ( 0.5000000 0.3275080 0.3095106), wk = 0.0027248 k( 330) = ( 0.5000000 0.3275080 0.2932206), wk = 0.0027248 k( 331) = ( 0.5000000 0.3275080 0.2769305), wk = 0.0027248 k( 332) = ( 0.5000000 0.3275080 0.2606405), wk = 0.0027248 k( 333) = ( 0.5000000 0.3275080 0.2443505), wk = 0.0027248 k( 334) = ( 0.5000000 0.3275080 0.2280604), wk = 0.0027248 k( 335) = ( 0.5000000 0.3275080 0.2117704), wk = 0.0027248 k( 336) = ( 0.5000000 0.3275080 0.1954804), wk = 0.0027248 k( 337) = ( 0.5000000 0.3275080 0.1791903), wk = 0.0027248 k( 338) = ( 0.5000000 0.3275080 0.1629003), wk = 0.0027248 k( 339) = ( 0.5000000 0.3275080 0.1466103), wk = 0.0027248 k( 340) = ( 0.5000000 0.3275080 0.1303203), wk = 0.0027248 k( 341) = ( 0.5000000 0.3275080 0.1140302), wk = 0.0027248 k( 342) = ( 0.5000000 0.3275080 0.0977402), wk = 0.0027248 k( 343) = ( 0.5000000 0.3275080 0.0814502), wk = 0.0027248 k( 344) = ( 0.5000000 0.3275080 0.0651601), wk = 0.0027248 k( 345) = ( 0.5000000 0.3275080 0.0488701), wk = 0.0027248 k( 346) = ( 0.5000000 0.3275080 0.0325801), wk = 0.0027248 k( 347) = ( 0.5000000 0.3275080 0.0162900), wk = 0.0027248 k( 348) = ( 0.5000000 0.3275080 -0.0000000), wk = 0.0027248 k( 349) = ( 0.0000000 0.0000000 0.9125174), wk = 0.0027248 k( 350) = ( 0.0138889 0.0090974 0.9125174), wk = 0.0027248 k( 351) = ( 0.0277778 0.0181949 0.9125174), wk = 0.0027248 k( 352) = ( 0.0416667 0.0272923 0.9125174), wk = 0.0027248 k( 353) = ( 0.0555556 0.0363898 0.9125174), wk = 0.0027248 k( 354) = ( 0.0694444 0.0454872 0.9125174), wk = 0.0027248 k( 355) = ( 0.0833333 0.0545847 0.9125174), wk = 0.0027248 k( 356) = ( 0.0972222 0.0636821 0.9125174), wk = 0.0027248 k( 357) = ( 0.1111111 0.0727796 0.9125174), wk = 0.0027248 k( 358) = ( 0.1250000 0.0818770 0.9125174), wk = 0.0027248 k( 359) = ( 0.1388889 0.0909745 0.9125174), wk = 0.0027248 k( 360) = ( 0.1527778 0.1000719 0.9125174), wk = 0.0027248 k( 361) = ( 0.1666667 0.1091694 0.9125174), wk = 0.0027248 k( 362) = ( 0.1805556 0.1182668 0.9125174), wk = 0.0027248 k( 363) = ( 0.1944444 0.1273642 0.9125174), wk = 0.0027248 k( 364) = ( 0.2083333 0.1364617 0.9125174), wk = 0.0027248 k( 365) = ( 0.2222222 0.1455591 0.9125174), wk = 0.0027248 k( 366) = ( 0.2361111 0.1546566 0.9125174), wk = 0.0027248 k( 367) = ( 0.2500000 0.1637540 0.9125174), wk = 0.0027248 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 2) = ( 0.0000000 0.0000000 0.0090909), wk = 0.0027248 k( 3) = ( 0.0000000 0.0000000 0.0181818), wk = 0.0027248 k( 4) = ( 0.0000000 0.0000000 0.0272727), wk = 0.0027248 k( 5) = ( 0.0000000 0.0000000 0.0363636), wk = 0.0027248 k( 6) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0027248 k( 7) = ( 0.0000000 0.0000000 0.0545454), wk = 0.0027248 k( 8) = ( 0.0000000 0.0000000 0.0636364), wk = 0.0027248 k( 9) = ( 0.0000000 0.0000000 0.0727273), wk = 0.0027248 k( 10) = ( 0.0000000 0.0000000 0.0818182), wk = 0.0027248 k( 11) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0027248 k( 12) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0027248 k( 13) = ( 0.0000000 0.0000000 0.1090909), wk = 0.0027248 k( 14) = ( 0.0000000 0.0000000 0.1181818), wk = 0.0027248 k( 15) = ( 0.0000000 0.0000000 0.1272727), wk = 0.0027248 k( 16) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0027248 k( 17) = ( 0.0000000 0.0000000 0.1454545), wk = 0.0027248 k( 18) = ( 0.0000000 0.0000000 0.1545455), wk = 0.0027248 k( 19) = ( 0.0000000 0.0000000 0.1636364), wk = 0.0027248 k( 20) = ( 0.0000000 0.0000000 0.1727273), wk = 0.0027248 k( 21) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0027248 k( 22) = ( 0.0000000 0.0000000 0.1909091), wk = 0.0027248 k( 23) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0027248 k( 24) = ( 0.0000000 0.0000000 0.2090909), wk = 0.0027248 k( 25) = ( 0.0000000 0.0000000 0.2181818), wk = 0.0027248 k( 26) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0027248 k( 27) = ( 0.0000000 0.0000000 0.2363636), wk = 0.0027248 k( 28) = ( 0.0000000 0.0000000 0.2454545), wk = 0.0027248 k( 29) = ( 0.0000000 0.0000000 0.2545455), wk = 0.0027248 k( 30) = ( 0.0000000 0.0000000 0.2636364), wk = 0.0027248 k( 31) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0027248 k( 32) = ( 0.0000000 0.0000000 0.2818182), wk = 0.0027248 k( 33) = ( 0.0000000 0.0000000 0.2909091), wk = 0.0027248 k( 34) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0027248 k( 35) = ( 0.0000000 0.0000000 0.3090909), wk = 0.0027248 k( 36) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0027248 k( 37) = ( 0.0000000 0.0000000 0.3272727), wk = 0.0027248 k( 38) = ( 0.0000000 0.0000000 0.3363636), wk = 0.0027248 k( 39) = ( 0.0000000 0.0000000 0.3454545), wk = 0.0027248 k( 40) = ( 0.0000000 0.0000000 0.3545454), wk = 0.0027248 k( 41) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0027248 k( 42) = ( 0.0000000 0.0000000 0.3727273), wk = 0.0027248 k( 43) = ( 0.0000000 0.0000000 0.3818182), wk = 0.0027248 k( 44) = ( 0.0000000 0.0000000 0.3909091), wk = 0.0027248 k( 45) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0027248 k( 46) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0027248 k( 47) = ( 0.0000000 0.0000000 0.4181818), wk = 0.0027248 k( 48) = ( 0.0000000 0.0000000 0.4272727), wk = 0.0027248 k( 49) = ( 0.0000000 0.0000000 0.4363636), wk = 0.0027248 k( 50) = ( 0.0000000 0.0000000 0.4454545), wk = 0.0027248 k( 51) = ( 0.0000000 0.0000000 0.4545454), wk = 0.0027248 k( 52) = ( 0.0000000 0.0000000 0.4636364), wk = 0.0027248 k( 53) = ( 0.0000000 0.0000000 0.4727273), wk = 0.0027248 k( 54) = ( 0.0000000 0.0000000 0.4818182), wk = 0.0027248 k( 55) = ( 0.0000000 0.0000000 0.4909091), wk = 0.0027248 k( 56) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027248 k( 57) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027248 k( 58) = ( -0.0089385 0.0089385 0.5000000), wk = 0.0027248 k( 59) = ( -0.0178769 0.0178769 0.5000000), wk = 0.0027248 k( 60) = ( -0.0268154 0.0268154 0.5000000), wk = 0.0027248 k( 61) = ( -0.0357538 0.0357538 0.5000000), wk = 0.0027248 k( 62) = ( -0.0446923 0.0446923 0.5000000), wk = 0.0027248 k( 63) = ( -0.0536308 0.0536308 0.5000000), wk = 0.0027248 k( 64) = ( -0.0625692 0.0625692 0.5000000), wk = 0.0027248 k( 65) = ( -0.0715077 0.0715077 0.5000000), wk = 0.0027248 k( 66) = ( -0.0804461 0.0804461 0.5000000), wk = 0.0027248 k( 67) = ( -0.0893846 0.0893846 0.5000000), wk = 0.0027248 k( 68) = ( -0.0983231 0.0983231 0.5000000), wk = 0.0027248 k( 69) = ( -0.1072615 0.1072615 0.5000000), wk = 0.0027248 k( 70) = ( -0.1072615 0.1072615 0.5000000), wk = 0.0027248 k( 71) = ( -0.1135960 0.1135960 0.4936655), wk = 0.0027248 k( 72) = ( -0.1199305 0.1199305 0.4873310), wk = 0.0027248 k( 73) = ( -0.1262650 0.1262650 0.4809965), wk = 0.0027248 k( 74) = ( -0.1325995 0.1325995 0.4746620), wk = 0.0027248 k( 75) = ( -0.1389340 0.1389340 0.4683275), wk = 0.0027248 k( 76) = ( -0.1452685 0.1452685 0.4619930), wk = 0.0027248 k( 77) = ( -0.1516030 0.1516030 0.4556586), wk = 0.0027248 k( 78) = ( -0.1579375 0.1579374 0.4493241), wk = 0.0027248 k( 79) = ( -0.1642719 0.1642719 0.4429896), wk = 0.0027248 k( 80) = ( -0.1706064 0.1706064 0.4366551), wk = 0.0027248 k( 81) = ( -0.1769409 0.1769409 0.4303206), wk = 0.0027248 k( 82) = ( -0.1832754 0.1832754 0.4239861), wk = 0.0027248 k( 83) = ( -0.1896099 0.1896099 0.4176516), wk = 0.0027248 k( 84) = ( -0.1959444 0.1959444 0.4113171), wk = 0.0027248 k( 85) = ( -0.2022789 0.2022789 0.4049826), wk = 0.0027248 k( 86) = ( -0.2086134 0.2086134 0.3986481), wk = 0.0027248 k( 87) = ( -0.2149479 0.2149479 0.3923136), wk = 0.0027248 k( 88) = ( -0.2212824 0.2212824 0.3859791), wk = 0.0027248 k( 89) = ( -0.2276169 0.2276169 0.3796447), wk = 0.0027248 k( 90) = ( -0.2339514 0.2339514 0.3733102), wk = 0.0027248 k( 91) = ( -0.2402858 0.2402858 0.3669757), wk = 0.0027248 k( 92) = ( -0.2466203 0.2466203 0.3606412), wk = 0.0027248 k( 93) = ( -0.2529548 0.2529548 0.3543067), wk = 0.0027248 k( 94) = ( -0.2592893 0.2592893 0.3479722), wk = 0.0027248 k( 95) = ( -0.2656238 0.2656238 0.3416377), wk = 0.0027248 k( 96) = ( -0.2719583 0.2719583 0.3353032), wk = 0.0027248 k( 97) = ( -0.2782928 0.2782928 0.3289687), wk = 0.0027248 k( 98) = ( -0.2846273 0.2846273 0.3226342), wk = 0.0027248 k( 99) = ( -0.2909618 0.2909618 0.3162997), wk = 0.0027248 k( 100) = ( -0.2972963 0.2972963 0.3099652), wk = 0.0027248 k( 101) = ( -0.3036308 0.3036308 0.3036308), wk = 0.0027248 k( 102) = ( -0.3036308 0.3036308 0.3036308), wk = 0.0027248 k( 103) = ( -0.2973051 0.2973051 0.2973051), wk = 0.0027248 k( 104) = ( -0.2909795 0.2909795 0.2909795), wk = 0.0027248 k( 105) = ( -0.2846538 0.2846538 0.2846538), wk = 0.0027248 k( 106) = ( -0.2783282 0.2783282 0.2783282), wk = 0.0027248 k( 107) = ( -0.2720026 0.2720026 0.2720026), wk = 0.0027248 k( 108) = ( -0.2656769 0.2656769 0.2656769), wk = 0.0027248 k( 109) = ( -0.2593513 0.2593513 0.2593513), wk = 0.0027248 k( 110) = ( -0.2530256 0.2530256 0.2530256), wk = 0.0027248 k( 111) = ( -0.2467000 0.2467000 0.2467000), wk = 0.0027248 k( 112) = ( -0.2403743 0.2403743 0.2403743), wk = 0.0027248 k( 113) = ( -0.2340487 0.2340487 0.2340487), wk = 0.0027248 k( 114) = ( -0.2277231 0.2277231 0.2277231), wk = 0.0027248 k( 115) = ( -0.2213974 0.2213974 0.2213974), wk = 0.0027248 k( 116) = ( -0.2150718 0.2150718 0.2150718), wk = 0.0027248 k( 117) = ( -0.2087461 0.2087461 0.2087462), wk = 0.0027248 k( 118) = ( -0.2024205 0.2024205 0.2024205), wk = 0.0027248 k( 119) = ( -0.1960949 0.1960949 0.1960949), wk = 0.0027248 k( 120) = ( -0.1897692 0.1897692 0.1897692), wk = 0.0027248 k( 121) = ( -0.1834436 0.1834436 0.1834436), wk = 0.0027248 k( 122) = ( -0.1771179 0.1771179 0.1771179), wk = 0.0027248 k( 123) = ( -0.1707923 0.1707923 0.1707923), wk = 0.0027248 k( 124) = ( -0.1644667 0.1644667 0.1644667), wk = 0.0027248 k( 125) = ( -0.1581410 0.1581410 0.1581410), wk = 0.0027248 k( 126) = ( -0.1518154 0.1518154 0.1518154), wk = 0.0027248 k( 127) = ( -0.1454897 0.1454897 0.1454897), wk = 0.0027248 k( 128) = ( -0.1391641 0.1391641 0.1391641), wk = 0.0027248 k( 129) = ( -0.1328385 0.1328385 0.1328385), wk = 0.0027248 k( 130) = ( -0.1265128 0.1265128 0.1265128), wk = 0.0027248 k( 131) = ( -0.1201872 0.1201872 0.1201872), wk = 0.0027248 k( 132) = ( -0.1138615 0.1138615 0.1138615), wk = 0.0027248 k( 133) = ( -0.1075359 0.1075359 0.1075359), wk = 0.0027248 k( 134) = ( -0.1012103 0.1012102 0.1012103), wk = 0.0027248 k( 135) = ( -0.0948846 0.0948846 0.0948846), wk = 0.0027248 k( 136) = ( -0.0885590 0.0885590 0.0885590), wk = 0.0027248 k( 137) = ( -0.0822333 0.0822333 0.0822333), wk = 0.0027248 k( 138) = ( -0.0759077 0.0759077 0.0759077), wk = 0.0027248 k( 139) = ( -0.0695821 0.0695820 0.0695821), wk = 0.0027248 k( 140) = ( -0.0632564 0.0632564 0.0632564), wk = 0.0027248 k( 141) = ( -0.0569308 0.0569308 0.0569308), wk = 0.0027248 k( 142) = ( -0.0506051 0.0506051 0.0506051), wk = 0.0027248 k( 143) = ( -0.0442795 0.0442795 0.0442795), wk = 0.0027248 k( 144) = ( -0.0379538 0.0379538 0.0379538), wk = 0.0027248 k( 145) = ( -0.0316282 0.0316282 0.0316282), wk = 0.0027248 k( 146) = ( -0.0253026 0.0253026 0.0253026), wk = 0.0027248 k( 147) = ( -0.0189769 0.0189769 0.0189769), wk = 0.0027248 k( 148) = ( -0.0126513 0.0126513 0.0126513), wk = 0.0027248 k( 149) = ( -0.0063256 0.0063256 0.0063256), wk = 0.0027248 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027248 k( 152) = ( 0.0138889 0.0138889 -0.0138889), wk = 0.0027248 k( 153) = ( 0.0277778 0.0277778 -0.0277778), wk = 0.0027248 k( 154) = ( 0.0416667 0.0416667 -0.0416667), wk = 0.0027248 k( 155) = ( 0.0555556 0.0555556 -0.0555556), wk = 0.0027248 k( 156) = ( 0.0694444 0.0694444 -0.0694444), wk = 0.0027248 k( 157) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0027248 k( 158) = ( 0.0972222 0.0972222 -0.0972222), wk = 0.0027248 k( 159) = ( 0.1111111 0.1111111 -0.1111111), wk = 0.0027248 k( 160) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0027248 k( 161) = ( 0.1388889 0.1388889 -0.1388889), wk = 0.0027248 k( 162) = ( 0.1527778 0.1527778 -0.1527778), wk = 0.0027248 k( 163) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0027248 k( 164) = ( 0.1805556 0.1805556 -0.1805556), wk = 0.0027248 k( 165) = ( 0.1944444 0.1944444 -0.1944444), wk = 0.0027248 k( 166) = ( 0.2083333 0.2083333 -0.2083333), wk = 0.0027248 k( 167) = ( 0.2222222 0.2222222 -0.2222222), wk = 0.0027248 k( 168) = ( 0.2361111 0.2361111 -0.2361111), wk = 0.0027248 k( 169) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0027248 k( 170) = ( 0.2638889 0.2638889 -0.2638889), wk = 0.0027248 k( 171) = ( 0.2777778 0.2777778 -0.2777778), wk = 0.0027248 k( 172) = ( 0.2916667 0.2916667 -0.2916667), wk = 0.0027248 k( 173) = ( 0.3055556 0.3055556 -0.3055556), wk = 0.0027248 k( 174) = ( 0.3194444 0.3194444 -0.3194444), wk = 0.0027248 k( 175) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0027248 k( 176) = ( 0.3472222 0.3472222 -0.3472222), wk = 0.0027248 k( 177) = ( 0.3611111 0.3611111 -0.3611111), wk = 0.0027248 k( 178) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0027248 k( 179) = ( 0.3888889 0.3888889 -0.3888889), wk = 0.0027248 k( 180) = ( 0.4027778 0.4027778 -0.4027778), wk = 0.0027248 k( 181) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0027248 k( 182) = ( 0.4305556 0.4305556 -0.4305556), wk = 0.0027248 k( 183) = ( 0.4444444 0.4444444 -0.4444444), wk = 0.0027248 k( 184) = ( 0.4583333 0.4583333 -0.4583333), wk = 0.0027248 k( 185) = ( 0.4722222 0.4722222 -0.4722222), wk = 0.0027248 k( 186) = ( 0.4861111 0.4861111 -0.4861111), wk = 0.0027248 k( 187) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027248 k( 188) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027248 k( 189) = ( 0.4936655 0.5063345 -0.4936655), wk = 0.0027248 k( 190) = ( 0.4873310 0.5126690 -0.4873310), wk = 0.0027248 k( 191) = ( 0.4809965 0.5190035 -0.4809965), wk = 0.0027248 k( 192) = ( 0.4746620 0.5253380 -0.4746620), wk = 0.0027248 k( 193) = ( 0.4683275 0.5316725 -0.4683275), wk = 0.0027248 k( 194) = ( 0.4619931 0.5380069 -0.4619930), wk = 0.0027248 k( 195) = ( 0.4556586 0.5443414 -0.4556586), wk = 0.0027248 k( 196) = ( 0.4493241 0.5506759 -0.4493241), wk = 0.0027248 k( 197) = ( 0.4429896 0.5570104 -0.4429896), wk = 0.0027248 k( 198) = ( 0.4366551 0.5633449 -0.4366551), wk = 0.0027248 k( 199) = ( 0.4303206 0.5696794 -0.4303206), wk = 0.0027248 k( 200) = ( 0.4239861 0.5760139 -0.4239861), wk = 0.0027248 k( 201) = ( 0.4176516 0.5823484 -0.4176516), wk = 0.0027248 k( 202) = ( 0.4113171 0.5886829 -0.4113171), wk = 0.0027248 k( 203) = ( 0.4049826 0.5950174 -0.4049826), wk = 0.0027248 k( 204) = ( 0.3986481 0.6013519 -0.3986481), wk = 0.0027248 k( 205) = ( 0.3923136 0.6076864 -0.3923136), wk = 0.0027248 k( 206) = ( 0.3859791 0.6140208 -0.3859792), wk = 0.0027248 k( 207) = ( 0.3796447 0.6203553 -0.3796447), wk = 0.0027248 k( 208) = ( 0.3733102 0.6266898 -0.3733102), wk = 0.0027248 k( 209) = ( 0.3669757 0.6330243 -0.3669757), wk = 0.0027248 k( 210) = ( 0.3606412 0.6393588 -0.3606412), wk = 0.0027248 k( 211) = ( 0.3543067 0.6456933 -0.3543067), wk = 0.0027248 k( 212) = ( 0.3479722 0.6520278 -0.3479722), wk = 0.0027248 k( 213) = ( 0.3416377 0.6583623 -0.3416377), wk = 0.0027248 k( 214) = ( 0.3353032 0.6646968 -0.3353032), wk = 0.0027248 k( 215) = ( 0.3289687 0.6710313 -0.3289687), wk = 0.0027248 k( 216) = ( 0.3226342 0.6773658 -0.3226342), wk = 0.0027248 k( 217) = ( 0.3162997 0.6837003 -0.3162997), wk = 0.0027248 k( 218) = ( 0.3099653 0.6900348 -0.3099653), wk = 0.0027248 k( 219) = ( 0.3036308 0.6963692 -0.3036308), wk = 0.0027248 k( 220) = ( 0.3036308 0.6963692 -0.3036308), wk = 0.0027248 k( 221) = ( 0.2884492 0.6865508 -0.2884492), wk = 0.0027248 k( 222) = ( 0.2732677 0.6767323 -0.2732677), wk = 0.0027248 k( 223) = ( 0.2580862 0.6669138 -0.2580862), wk = 0.0027248 k( 224) = ( 0.2429046 0.6570954 -0.2429046), wk = 0.0027248 k( 225) = ( 0.2277231 0.6472769 -0.2277231), wk = 0.0027248 k( 226) = ( 0.2125415 0.6374585 -0.2125415), wk = 0.0027248 k( 227) = ( 0.1973600 0.6276400 -0.1973600), wk = 0.0027248 k( 228) = ( 0.1821785 0.6178215 -0.1821785), wk = 0.0027248 k( 229) = ( 0.1669969 0.6080031 -0.1669969), wk = 0.0027248 k( 230) = ( 0.1518154 0.5981846 -0.1518154), wk = 0.0027248 k( 231) = ( 0.1366338 0.5883662 -0.1366338), wk = 0.0027248 k( 232) = ( 0.1214523 0.5785477 -0.1214523), wk = 0.0027248 k( 233) = ( 0.1062708 0.5687292 -0.1062708), wk = 0.0027248 k( 234) = ( 0.0910892 0.5589108 -0.0910892), wk = 0.0027248 k( 235) = ( 0.0759077 0.5490923 -0.0759077), wk = 0.0027248 k( 236) = ( 0.0607261 0.5392739 -0.0607262), wk = 0.0027248 k( 237) = ( 0.0455446 0.5294554 -0.0455446), wk = 0.0027248 k( 238) = ( 0.0303631 0.5196369 -0.0303631), wk = 0.0027248 k( 239) = ( 0.0151815 0.5098185 -0.0151815), wk = 0.0027248 k( 240) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027248 k( 241) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027248 k( 242) = ( 0.0064103 0.4935897 0.0064103), wk = 0.0027248 k( 243) = ( 0.0128205 0.4871795 0.0128205), wk = 0.0027248 k( 244) = ( 0.0192308 0.4807692 0.0192308), wk = 0.0027248 k( 245) = ( 0.0256410 0.4743590 0.0256410), wk = 0.0027248 k( 246) = ( 0.0320513 0.4679487 0.0320513), wk = 0.0027248 k( 247) = ( 0.0384615 0.4615385 0.0384615), wk = 0.0027248 k( 248) = ( 0.0448718 0.4551282 0.0448718), wk = 0.0027248 k( 249) = ( 0.0512821 0.4487179 0.0512820), wk = 0.0027248 k( 250) = ( 0.0576923 0.4423077 0.0576923), wk = 0.0027248 k( 251) = ( 0.0641026 0.4358974 0.0641026), wk = 0.0027248 k( 252) = ( 0.0705128 0.4294872 0.0705128), wk = 0.0027248 k( 253) = ( 0.0769231 0.4230769 0.0769231), wk = 0.0027248 k( 254) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0027248 k( 255) = ( 0.0897436 0.4102564 0.0897436), wk = 0.0027248 k( 256) = ( 0.0961538 0.4038462 0.0961538), wk = 0.0027248 k( 257) = ( 0.1025641 0.3974359 0.1025641), wk = 0.0027248 k( 258) = ( 0.1089744 0.3910256 0.1089744), wk = 0.0027248 k( 259) = ( 0.1153846 0.3846154 0.1153846), wk = 0.0027248 k( 260) = ( 0.1217949 0.3782051 0.1217949), wk = 0.0027248 k( 261) = ( 0.1282051 0.3717949 0.1282051), wk = 0.0027248 k( 262) = ( 0.1346154 0.3653846 0.1346154), wk = 0.0027248 k( 263) = ( 0.1410256 0.3589744 0.1410256), wk = 0.0027248 k( 264) = ( 0.1474359 0.3525641 0.1474359), wk = 0.0027248 k( 265) = ( 0.1538461 0.3461538 0.1538461), wk = 0.0027248 k( 266) = ( 0.1602564 0.3397436 0.1602564), wk = 0.0027248 k( 267) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0027248 k( 268) = ( 0.1730769 0.3269231 0.1730769), wk = 0.0027248 k( 269) = ( 0.1794872 0.3205128 0.1794872), wk = 0.0027248 k( 270) = ( 0.1858974 0.3141026 0.1858974), wk = 0.0027248 k( 271) = ( 0.1923077 0.3076923 0.1923077), wk = 0.0027248 k( 272) = ( 0.1987180 0.3012821 0.1987179), wk = 0.0027248 k( 273) = ( 0.2051282 0.2948718 0.2051282), wk = 0.0027248 k( 274) = ( 0.2115385 0.2884615 0.2115385), wk = 0.0027248 k( 275) = ( 0.2179487 0.2820513 0.2179487), wk = 0.0027248 k( 276) = ( 0.2243590 0.2756410 0.2243590), wk = 0.0027248 k( 277) = ( 0.2307692 0.2692308 0.2307692), wk = 0.0027248 k( 278) = ( 0.2371795 0.2628205 0.2371795), wk = 0.0027248 k( 279) = ( 0.2435897 0.2564103 0.2435897), wk = 0.0027248 k( 280) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027248 k( 281) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027248 k( 282) = ( 0.2613636 0.2613636 0.2337608), wk = 0.0027248 k( 283) = ( 0.2727273 0.2727273 0.2175217), wk = 0.0027248 k( 284) = ( 0.2840909 0.2840909 0.2012825), wk = 0.0027248 k( 285) = ( 0.2954545 0.2954545 0.1850434), wk = 0.0027248 k( 286) = ( 0.3068182 0.3068182 0.1688042), wk = 0.0027248 k( 287) = ( 0.3181818 0.3181818 0.1525650), wk = 0.0027248 k( 288) = ( 0.3295455 0.3295455 0.1363259), wk = 0.0027248 k( 289) = ( 0.3409091 0.3409091 0.1200867), wk = 0.0027248 k( 290) = ( 0.3522727 0.3522727 0.1038476), wk = 0.0027248 k( 291) = ( 0.3636364 0.3636364 0.0876084), wk = 0.0027248 k( 292) = ( 0.3750000 0.3750000 0.0713692), wk = 0.0027248 k( 293) = ( 0.3863636 0.3863636 0.0551301), wk = 0.0027248 k( 294) = ( 0.3977273 0.3977273 0.0388909), wk = 0.0027248 k( 295) = ( 0.4090909 0.4090909 0.0226518), wk = 0.0027248 k( 296) = ( 0.4204545 0.4204546 0.0064126), wk = 0.0027248 k( 297) = ( 0.4318182 0.4318182 -0.0098266), wk = 0.0027248 k( 298) = ( 0.4431818 0.4431818 -0.0260657), wk = 0.0027248 k( 299) = ( 0.4545455 0.4545455 -0.0423049), wk = 0.0027248 k( 300) = ( 0.4659091 0.4659091 -0.0585440), wk = 0.0027248 k( 301) = ( 0.4772727 0.4772727 -0.0747832), wk = 0.0027248 k( 302) = ( 0.4886364 0.4886364 -0.0910224), wk = 0.0027248 k( 303) = ( 0.5000000 0.5000000 -0.1072615), wk = 0.0027248 k( 304) = ( 0.5000000 0.5000000 -0.1072615), wk = 0.0027248 k( 305) = ( 0.5000000 0.5000000 -0.1161874), wk = 0.0027248 k( 306) = ( 0.5000000 0.5000000 -0.1251133), wk = 0.0027248 k( 307) = ( 0.5000000 0.5000000 -0.1340392), wk = 0.0027248 k( 308) = ( 0.5000000 0.5000000 -0.1429650), wk = 0.0027248 k( 309) = ( 0.5000000 0.5000000 -0.1518909), wk = 0.0027248 k( 310) = ( 0.5000000 0.5000000 -0.1608168), wk = 0.0027248 k( 311) = ( 0.5000000 0.5000000 -0.1697426), wk = 0.0027248 k( 312) = ( 0.5000000 0.5000000 -0.1786685), wk = 0.0027248 k( 313) = ( 0.5000000 0.5000000 -0.1875944), wk = 0.0027248 k( 314) = ( 0.5000000 0.5000000 -0.1965203), wk = 0.0027248 k( 315) = ( 0.5000000 0.5000000 -0.2054461), wk = 0.0027248 k( 316) = ( 0.5000000 0.5000000 -0.2143720), wk = 0.0027248 k( 317) = ( 0.5000000 0.5000000 -0.2232979), wk = 0.0027248 k( 318) = ( 0.5000000 0.5000000 -0.2322238), wk = 0.0027248 k( 319) = ( 0.5000000 0.5000000 -0.2411496), wk = 0.0027248 k( 320) = ( 0.5000000 0.5000000 -0.2500755), wk = 0.0027248 k( 321) = ( 0.5000000 0.5000000 -0.2590014), wk = 0.0027248 k( 322) = ( 0.5000000 0.5000000 -0.2679273), wk = 0.0027248 k( 323) = ( 0.5000000 0.5000000 -0.2768531), wk = 0.0027248 k( 324) = ( 0.5000000 0.5000000 -0.2857790), wk = 0.0027248 k( 325) = ( 0.5000000 0.5000000 -0.2947049), wk = 0.0027248 k( 326) = ( 0.5000000 0.5000000 -0.3036308), wk = 0.0027248 k( 327) = ( 0.5000000 0.5000000 -0.3125566), wk = 0.0027248 k( 328) = ( 0.5000000 0.5000000 -0.3214825), wk = 0.0027248 k( 329) = ( 0.5000000 0.5000000 -0.3304084), wk = 0.0027248 k( 330) = ( 0.5000000 0.5000000 -0.3393343), wk = 0.0027248 k( 331) = ( 0.5000000 0.5000000 -0.3482601), wk = 0.0027248 k( 332) = ( 0.5000000 0.5000000 -0.3571860), wk = 0.0027248 k( 333) = ( 0.5000000 0.5000000 -0.3661119), wk = 0.0027248 k( 334) = ( 0.5000000 0.5000000 -0.3750378), wk = 0.0027248 k( 335) = ( 0.5000000 0.5000000 -0.3839636), wk = 0.0027248 k( 336) = ( 0.5000000 0.5000000 -0.3928895), wk = 0.0027248 k( 337) = ( 0.5000000 0.5000000 -0.4018154), wk = 0.0027248 k( 338) = ( 0.5000000 0.5000000 -0.4107413), wk = 0.0027248 k( 339) = ( 0.5000000 0.5000000 -0.4196671), wk = 0.0027248 k( 340) = ( 0.5000000 0.5000000 -0.4285930), wk = 0.0027248 k( 341) = ( 0.5000000 0.5000000 -0.4375189), wk = 0.0027248 k( 342) = ( 0.5000000 0.5000000 -0.4464448), wk = 0.0027248 k( 343) = ( 0.5000000 0.5000000 -0.4553706), wk = 0.0027248 k( 344) = ( 0.5000000 0.5000000 -0.4642965), wk = 0.0027248 k( 345) = ( 0.5000000 0.5000000 -0.4732224), wk = 0.0027248 k( 346) = ( 0.5000000 0.5000000 -0.4821483), wk = 0.0027248 k( 347) = ( 0.5000000 0.5000000 -0.4910741), wk = 0.0027248 k( 348) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027248 k( 349) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027248 k( 350) = ( 0.0138889 0.0138889 0.4861111), wk = 0.0027248 k( 351) = ( 0.0277778 0.0277778 0.4722222), wk = 0.0027248 k( 352) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0027248 k( 353) = ( 0.0555556 0.0555556 0.4444444), wk = 0.0027248 k( 354) = ( 0.0694444 0.0694444 0.4305556), wk = 0.0027248 k( 355) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0027248 k( 356) = ( 0.0972222 0.0972222 0.4027778), wk = 0.0027248 k( 357) = ( 0.1111111 0.1111111 0.3888889), wk = 0.0027248 k( 358) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0027248 k( 359) = ( 0.1388889 0.1388889 0.3611111), wk = 0.0027248 k( 360) = ( 0.1527778 0.1527778 0.3472222), wk = 0.0027248 k( 361) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0027248 k( 362) = ( 0.1805556 0.1805556 0.3194444), wk = 0.0027248 k( 363) = ( 0.1944444 0.1944444 0.3055556), wk = 0.0027248 k( 364) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0027248 k( 365) = ( 0.2222222 0.2222222 0.2777778), wk = 0.0027248 k( 366) = ( 0.2361111 0.2361111 0.2638889), wk = 0.0027248 k( 367) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027248 Dense grid: 68329 G-vectors FFT dimensions: ( 64, 64, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.42 Mb ( 496, 56) NL pseudopotentials 0.58 Mb ( 248, 152) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 1899) G-vector shells 0.01 Mb ( 824) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.70 Mb ( 496, 224) Each subspace H/S matrix 0.05 Mb ( 56, 56) Each matrix 0.26 Mb ( 152, 2, 56) The potential is recalculated from file : ./LiFeO2.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 4.0 secs Computing kpt #: 3 total cpu time spent up to now is 4.7 secs Computing kpt #: 4 total cpu time spent up to now is 5.5 secs Computing kpt #: 5 total cpu time spent up to now is 6.2 secs Computing kpt #: 6 total cpu time spent up to now is 6.9 secs Computing kpt #: 7 total cpu time spent up to now is 7.6 secs Computing kpt #: 8 total cpu time spent up to now is 8.4 secs Computing kpt #: 9 total cpu time spent up to now is 9.1 secs Computing kpt #: 10 total cpu time spent up to now is 9.8 secs Computing kpt #: 11 total cpu time spent up to now is 10.5 secs Computing kpt #: 12 total cpu time spent up to now is 11.2 secs Computing kpt #: 13 total cpu time spent up to now is 11.9 secs Computing kpt #: 14 total cpu time spent up to now is 12.7 secs Computing kpt #: 15 total cpu time spent up to now is 13.4 secs Computing kpt #: 16 total cpu time spent up to now is 14.1 secs Computing kpt #: 17 total cpu time spent up to now is 14.8 secs Computing kpt #: 18 total cpu time spent up to now is 15.5 secs Computing kpt #: 19 total cpu time spent up to now is 16.2 secs Computing kpt #: 20 total cpu time spent up to now is 16.9 secs Computing kpt #: 21 total cpu time spent up to now is 17.7 secs Computing kpt #: 22 total cpu time spent up to now is 18.4 secs Computing kpt #: 23 total cpu time spent up to now is 19.1 secs Computing kpt #: 24 total cpu time spent up to now is 19.8 secs Computing kpt #: 25 total cpu time spent up to now is 20.5 secs Computing kpt #: 26 total cpu time spent up to now is 21.3 secs Computing kpt #: 27 total cpu time spent up to now is 22.0 secs Computing kpt #: 28 total cpu time spent up to now is 22.7 secs Computing kpt #: 29 total cpu time spent up to now is 23.4 secs Computing kpt #: 30 total cpu time spent up to now is 24.1 secs Computing kpt #: 31 total cpu time spent up to now is 24.9 secs Computing kpt #: 32 total cpu time spent up to now is 25.6 secs Computing kpt #: 33 total cpu time spent up to now is 26.3 secs Computing kpt #: 34 total cpu time spent up to now is 27.1 secs Computing kpt #: 35 total cpu time spent up to now is 27.8 secs Computing kpt #: 36 total cpu time spent up to now is 28.5 secs Computing kpt #: 37 total cpu time spent up to now is 29.3 secs Computing kpt #: 38 total cpu time spent up to now is 30.0 secs Computing kpt #: 39 total cpu time spent up to now is 30.8 secs Computing kpt #: 40 total cpu time spent up to now is 31.5 secs Computing kpt #: 41 total cpu time spent up to now is 32.3 secs Computing kpt #: 42 total cpu time spent up to now is 33.0 secs Computing kpt #: 43 total cpu time spent up to now is 33.8 secs Computing kpt #: 44 total cpu time spent up to now is 34.5 secs Computing kpt #: 45 total cpu time spent up to now is 35.3 secs Computing kpt #: 46 total cpu time spent up to now is 36.1 secs Computing kpt #: 47 total cpu time spent up to now is 36.8 secs Computing kpt #: 48 total cpu time spent up to now is 37.6 secs Computing kpt #: 49 total cpu time spent up to now is 38.3 secs Computing kpt #: 50 total cpu time spent up to now is 39.0 secs Computing kpt #: 51 total cpu time spent up to now is 39.8 secs Computing kpt #: 52 total cpu time spent up to now is 40.5 secs Computing kpt #: 53 total cpu time spent up to now is 41.2 secs Computing kpt #: 54 total cpu time spent up to now is 41.9 secs Computing kpt #: 55 total cpu time spent up to now is 42.6 secs Computing kpt #: 56 total cpu time spent up to now is 43.4 secs Computing kpt #: 57 total cpu time spent up to now is 44.1 secs Computing kpt #: 58 total cpu time spent up to now is 44.8 secs Computing kpt #: 59 total cpu time spent up to now is 45.5 secs Computing kpt #: 60 total cpu time spent up to now is 46.3 secs Computing kpt #: 61 total cpu time spent up to now is 47.0 secs Computing kpt #: 62 total cpu time spent up to now is 47.7 secs Computing kpt #: 63 total cpu time spent up to now is 48.4 secs Computing kpt #: 64 total cpu time spent up to now is 49.2 secs Computing kpt #: 65 total cpu time spent up to now is 49.9 secs Computing kpt #: 66 total cpu time spent up to now is 50.6 secs Computing kpt #: 67 total cpu time spent up to now is 51.4 secs Computing kpt #: 68 total cpu time spent up to now is 52.1 secs Computing kpt #: 69 total cpu time spent up to now is 52.8 secs Computing kpt #: 70 total cpu time spent up to now is 53.6 secs Computing kpt #: 71 total cpu time spent up to now is 54.3 secs Computing kpt #: 72 total cpu time spent up to now is 55.1 secs Computing kpt #: 73 total cpu time spent up to now is 55.8 secs Computing kpt #: 74 total cpu time spent up to now is 56.6 secs Computing kpt #: 75 total cpu time spent up to now is 57.3 secs Computing kpt #: 76 total cpu time spent up to now is 58.1 secs Computing kpt #: 77 total cpu time spent up to now is 58.8 secs Computing kpt #: 78 total cpu time spent up to now is 59.6 secs Computing kpt #: 79 total cpu time spent up to now is 60.3 secs Computing kpt #: 80 total cpu time spent up to now is 61.1 secs Computing kpt #: 81 total cpu time spent up to now is 61.8 secs Computing kpt #: 82 total cpu time spent up to now is 62.6 secs Computing kpt #: 83 total cpu time spent up to now is 63.4 secs Computing kpt #: 84 total cpu time spent up to now is 64.1 secs Computing kpt #: 85 total cpu time spent up to now is 64.8 secs Computing kpt #: 86 total cpu time spent up to now is 65.6 secs Computing kpt #: 87 total cpu time spent up to now is 66.3 secs Computing kpt #: 88 total cpu time spent up to now is 67.1 secs Computing kpt #: 89 total cpu time spent up to now is 67.8 secs Computing kpt #: 90 total cpu time spent up to now is 68.5 secs Computing kpt #: 91 total cpu time spent up to now is 69.3 secs Computing kpt #: 92 total cpu time spent up to now is 70.0 secs Computing kpt #: 93 total cpu time spent up to now is 70.7 secs Computing kpt #: 94 total cpu time spent up to now is 71.5 secs Computing kpt #: 95 total cpu time spent up to now is 72.2 secs Computing kpt #: 96 total cpu time spent up to now is 72.9 secs Computing kpt #: 97 total cpu time spent up to now is 73.7 secs Computing kpt #: 98 total cpu time spent up to now is 74.4 secs Computing kpt #: 99 total cpu time spent up to now is 75.1 secs Computing kpt #: 100 total cpu time spent up to now is 75.8 secs Computing kpt #: 101 total cpu time spent up to now is 76.6 secs Computing kpt #: 102 total cpu time spent up to now is 77.3 secs Computing kpt #: 103 total cpu time spent up to now is 78.0 secs Computing kpt #: 104 total cpu time spent up to now is 78.7 secs Computing kpt #: 105 total cpu time spent up to now is 79.5 secs Computing kpt #: 106 total cpu time spent up to now is 80.2 secs Computing kpt #: 107 total cpu time spent up to now is 80.9 secs Computing kpt #: 108 total cpu time spent up to now is 81.6 secs Computing kpt #: 109 total cpu time spent up to now is 82.4 secs Computing kpt #: 110 total cpu time spent up to now is 83.1 secs Computing kpt #: 111 total cpu time spent up to now is 83.8 secs Computing kpt #: 112 total cpu time spent up to now is 84.5 secs Computing kpt #: 113 total cpu time spent up to now is 85.2 secs Computing kpt #: 114 total cpu time spent up to now is 86.0 secs Computing kpt #: 115 total cpu time spent up to now is 86.7 secs Computing kpt #: 116 total cpu time spent up to now is 87.4 secs Computing kpt #: 117 total cpu time spent up to now is 88.2 secs Computing kpt #: 118 total cpu time spent up to now is 88.9 secs Computing kpt #: 119 total cpu time spent up to now is 89.6 secs Computing kpt #: 120 total cpu time spent up to now is 90.3 secs Computing kpt #: 121 total cpu time spent up to now is 91.1 secs Computing kpt #: 122 total cpu time spent up to now is 91.8 secs Computing kpt #: 123 total cpu time spent up to now is 92.5 secs Computing kpt #: 124 total cpu time spent up to now is 93.2 secs Computing kpt #: 125 total cpu time spent up to now is 94.0 secs Computing kpt #: 126 total cpu time spent up to now is 94.7 secs Computing kpt #: 127 total cpu time spent up to now is 95.4 secs Computing kpt #: 128 total cpu time spent up to now is 96.1 secs Computing kpt #: 129 total cpu time spent up to now is 96.8 secs Computing kpt #: 130 total cpu time spent up to now is 97.6 secs Computing kpt #: 131 total cpu time spent up to now is 98.3 secs Computing kpt #: 132 total cpu time spent up to now is 99.0 secs Computing kpt #: 133 total cpu time spent up to now is 100.0 secs Computing kpt #: 134 total cpu time spent up to now is 101.0 secs Computing kpt #: 135 total cpu time spent up 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112.5 secs Computing kpt #: 151 total cpu time spent up to now is 113.3 secs Computing kpt #: 152 total cpu time spent up to now is 114.0 secs Computing kpt #: 153 total cpu time spent up to now is 114.7 secs Computing kpt #: 154 total cpu time spent up to now is 115.4 secs Computing kpt #: 155 total cpu time spent up to now is 116.1 secs Computing kpt #: 156 total cpu time spent up to now is 116.8 secs Computing kpt #: 157 total cpu time spent up to now is 117.6 secs Computing kpt #: 158 total cpu time spent up to now is 118.3 secs Computing kpt #: 159 total cpu time spent up to now is 119.0 secs Computing kpt #: 160 total cpu time spent up to now is 119.7 secs Computing kpt #: 161 total cpu time spent up to now is 120.5 secs Computing kpt #: 162 total cpu time spent up to now is 121.2 secs Computing kpt #: 163 total cpu time spent up to now is 121.9 secs Computing kpt #: 164 total cpu time spent up to now is 122.7 secs Computing kpt #: 165 total cpu time spent up to now is 123.4 secs Computing kpt #: 166 total cpu time spent up to now is 124.1 secs Computing kpt #: 167 total cpu time spent up to now is 124.9 secs Computing kpt #: 168 total cpu time spent up to now is 125.6 secs Computing kpt #: 169 total cpu time spent up to now is 126.3 secs Computing kpt #: 170 total cpu time spent up to now is 127.1 secs Computing kpt #: 171 total cpu time spent up to now is 127.8 secs Computing kpt #: 172 total cpu time spent up to now is 128.6 secs Computing kpt #: 173 total cpu time spent up to now is 129.3 secs Computing kpt #: 174 total cpu time spent up to now is 130.1 secs Computing kpt #: 175 total cpu time spent up to now is 130.8 secs Computing kpt #: 176 total cpu time spent up to now is 131.5 secs Computing kpt #: 177 total cpu time spent up to now is 132.3 secs Computing kpt #: 178 total cpu time spent up to now is 133.0 secs Computing kpt #: 179 total cpu time spent up to now is 133.8 secs Computing kpt #: 180 total cpu time spent up to now is 134.5 secs Computing kpt #: 181 total cpu time spent up to now is 135.3 secs Computing kpt #: 182 total cpu time spent up to now is 136.1 secs Computing kpt #: 183 total cpu time spent up to now is 136.8 secs Computing kpt #: 184 total cpu time spent up to now is 137.6 secs Computing kpt #: 185 total cpu time spent up to now is 138.3 secs Computing kpt #: 186 total cpu time spent up to now is 139.0 secs Computing kpt #: 187 total cpu time spent up to now is 139.8 secs Computing kpt #: 188 total cpu time spent up to now is 140.5 secs Computing kpt #: 189 total cpu time spent up to now is 141.3 secs Computing kpt #: 190 total cpu time spent up to now is 142.0 secs Computing kpt #: 191 total cpu time spent up to now is 142.8 secs Computing kpt #: 192 total cpu time spent up to now is 143.5 secs Computing kpt #: 193 total cpu time spent up to now is 144.3 secs Computing kpt #: 194 total cpu time spent up to now is 145.0 secs Computing kpt #: 195 total cpu time spent up to now is 145.8 secs Computing kpt #: 196 total cpu time spent up to now is 146.5 secs Computing kpt #: 197 total cpu time spent up to now is 147.3 secs Computing kpt #: 198 total cpu time spent up to now is 148.1 secs Computing kpt #: 199 total cpu time spent up to now is 148.8 secs Computing kpt #: 200 total cpu time spent up to now is 149.6 secs Computing kpt #: 201 total cpu time spent up to now is 150.3 secs Computing kpt #: 202 total cpu time spent up to now is 151.0 secs Computing kpt #: 203 total cpu time spent up to now is 151.8 secs Computing kpt #: 204 total cpu time spent up to now is 152.5 secs Computing kpt #: 205 total cpu time spent up to now is 153.3 secs Computing kpt #: 206 total cpu time spent up to now is 154.0 secs Computing kpt #: 207 total cpu time spent up to now is 154.8 secs Computing kpt #: 208 total cpu time spent up to now is 155.5 secs Computing kpt #: 209 total cpu time spent up to now is 156.3 secs Computing kpt #: 210 total cpu time spent up to now is 157.0 secs Computing kpt #: 211 total cpu time spent up to now is 157.8 secs Computing kpt #: 212 total cpu time spent up to now is 158.5 secs Computing kpt #: 213 total cpu time spent up to now is 159.3 secs Computing kpt #: 214 total cpu time spent up to now is 160.0 secs Computing kpt #: 215 total cpu time spent up to now is 160.8 secs Computing kpt #: 216 total cpu time spent up to now is 161.5 secs Computing kpt #: 217 total cpu time spent up to now is 162.2 secs Computing kpt #: 218 total cpu time spent up to now is 163.0 secs Computing kpt #: 219 total cpu time spent up to now is 163.7 secs Computing kpt #: 220 total cpu time spent up to now is 164.4 secs Computing kpt #: 221 total cpu time spent up to now is 165.2 secs Computing kpt #: 222 total cpu time spent up to now is 165.9 secs Computing kpt #: 223 total cpu time spent up to now is 166.6 secs Computing kpt #: 224 total cpu time spent up to now is 167.3 secs Computing kpt #: 225 total cpu time spent up to now is 168.1 secs Computing kpt #: 226 total cpu time spent up to now is 168.8 secs Computing kpt #: 227 total cpu time spent up to now is 169.5 secs Computing kpt #: 228 total cpu time spent up to now is 170.3 secs Computing kpt #: 229 total cpu time spent up to now is 171.0 secs Computing kpt #: 230 total cpu time spent up to now is 171.7 secs Computing kpt #: 231 total cpu time spent up to now is 172.4 secs Computing kpt #: 232 total cpu time spent up to now is 173.2 secs Computing kpt #: 233 total cpu time spent up to now is 173.9 secs Computing kpt #: 234 total cpu time spent up to now is 174.6 secs Computing kpt #: 235 total cpu time spent up to now is 175.3 secs Computing kpt #: 236 total cpu time spent up to now is 176.1 secs Computing kpt #: 237 total cpu time spent up to now is 176.8 secs Computing kpt #: 238 total cpu time spent up to now is 177.5 secs Computing kpt #: 239 total cpu time spent up to now is 178.2 secs Computing kpt #: 240 total cpu time spent up to now is 179.0 secs Computing kpt #: 241 total cpu time spent up to now is 179.7 secs Computing kpt #: 242 total cpu time spent up to now is 180.4 secs Computing kpt #: 243 total cpu time spent up to now is 181.2 secs Computing kpt #: 244 total cpu time spent up to now is 181.9 secs Computing kpt #: 245 total cpu time spent up to now is 182.6 secs Computing kpt #: 246 total cpu time spent up to now is 183.4 secs Computing kpt #: 247 total cpu time spent up to now is 184.1 secs Computing kpt #: 248 total cpu time spent up to now is 184.8 secs Computing kpt #: 249 total cpu time spent up to now is 185.6 secs Computing kpt #: 250 total cpu time spent up to now is 186.3 secs Computing kpt #: 251 total cpu time spent up to now is 187.1 secs Computing kpt #: 252 total cpu time spent up to now is 187.8 secs Computing kpt #: 253 total cpu time spent up to now is 188.6 secs Computing kpt #: 254 total cpu time spent up to now is 189.3 secs Computing kpt #: 255 total cpu time spent up to now is 190.1 secs Computing kpt #: 256 total cpu time spent up to now is 190.8 secs Computing kpt #: 257 total cpu time spent up to now is 191.6 secs Computing kpt #: 258 total cpu time spent up to now is 192.3 secs Computing kpt #: 259 total cpu time spent up to now is 193.1 secs Computing kpt #: 260 total cpu time spent up to now is 193.9 secs Computing kpt #: 261 total cpu time spent up to now is 194.6 secs Computing kpt #: 262 total cpu time spent up to now is 195.4 secs Computing kpt #: 263 total cpu time spent up to now is 196.1 secs Computing kpt #: 264 total cpu time spent up to now is 196.9 secs Computing kpt #: 265 total cpu time spent up to now is 197.7 secs Computing kpt #: 266 total cpu time spent up to now is 198.4 secs Computing kpt #: 267 total cpu time spent up to now is 199.2 secs Computing kpt #: 268 total cpu time spent up to now is 199.9 secs Computing kpt #: 269 total cpu time spent up to now is 200.7 secs Computing kpt #: 270 total cpu time spent up to now is 201.5 secs Computing kpt #: 271 total cpu time spent up to now is 202.2 secs Computing kpt #: 272 total cpu time spent up to now is 203.0 secs Computing kpt #: 273 total cpu time spent up to now is 203.7 secs Computing kpt #: 274 total cpu time spent up to now is 204.5 secs Computing kpt #: 275 total cpu time spent up to now is 205.2 secs Computing kpt #: 276 total cpu time spent up to now is 205.9 secs Computing kpt #: 277 total cpu time spent up to now is 206.7 secs Computing kpt #: 278 total cpu time spent up to now is 207.4 secs Computing kpt #: 279 total cpu time spent up to now is 208.1 secs Computing kpt #: 280 total cpu time spent up to now is 208.9 secs Computing kpt #: 281 total cpu time spent up to now is 209.6 secs Computing kpt #: 282 total cpu time spent up to now is 210.3 secs Computing kpt #: 283 total cpu time spent up to now is 211.1 secs Computing kpt #: 284 total cpu time spent up to now is 211.8 secs Computing kpt #: 285 total cpu time spent up to now is 212.5 secs Computing kpt #: 286 total cpu time spent up to now is 213.3 secs Computing 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total cpu time spent up to now is 225.0 secs Computing kpt #: 303 total cpu time spent up to now is 225.7 secs Computing kpt #: 304 total cpu time spent up to now is 226.5 secs Computing kpt #: 305 total cpu time spent up to now is 227.2 secs Computing kpt #: 306 total cpu time spent up to now is 228.0 secs Computing kpt #: 307 total cpu time spent up to now is 228.7 secs Computing kpt #: 308 total cpu time spent up to now is 229.5 secs Computing kpt #: 309 total cpu time spent up to now is 230.2 secs Computing kpt #: 310 total cpu time spent up to now is 231.0 secs Computing kpt #: 311 total cpu time spent up to now is 231.7 secs Computing kpt #: 312 total cpu time spent up to now is 232.5 secs Computing kpt #: 313 total cpu time spent up to now is 233.2 secs Computing kpt #: 314 total cpu time spent up to now is 234.0 secs Computing kpt #: 315 total cpu time spent up to now is 234.7 secs Computing kpt #: 316 total cpu time spent up to now is 235.5 secs Computing kpt #: 317 total cpu time spent up to now is 236.3 secs Computing kpt #: 318 total cpu time spent up to now is 237.0 secs Computing kpt #: 319 total cpu time spent up to now is 237.8 secs Computing kpt #: 320 total cpu time spent up to now is 238.5 secs Computing kpt #: 321 total cpu time spent up to now is 239.3 secs Computing kpt #: 322 total cpu time spent up to now is 240.0 secs Computing kpt #: 323 total cpu time spent up to now is 240.8 secs Computing kpt #: 324 total cpu time spent up to now is 241.6 secs Computing kpt #: 325 total cpu time spent up to now is 242.3 secs Computing kpt #: 326 total cpu time spent up to now is 243.1 secs Computing kpt #: 327 total cpu time spent up to now is 243.8 secs Computing kpt #: 328 total cpu time spent up to now is 244.6 secs Computing kpt #: 329 total cpu time spent up to now is 245.4 secs Computing kpt #: 330 total cpu time spent up to now is 246.1 secs Computing kpt #: 331 total cpu time spent up to now is 246.9 secs Computing kpt #: 332 total cpu time spent up to now is 247.6 secs Computing kpt #: 333 total cpu time spent up to now is 248.4 secs Computing kpt #: 334 total cpu time spent up to now is 249.2 secs Computing kpt #: 335 total cpu time spent up to now is 249.9 secs Computing kpt #: 336 total cpu time spent up to now is 250.7 secs Computing kpt #: 337 total cpu time spent up to now is 251.4 secs Computing kpt #: 338 total cpu time spent up to now is 252.2 secs Computing kpt #: 339 total cpu time spent up to now is 252.9 secs Computing kpt #: 340 total cpu time spent up to now is 253.7 secs Computing kpt #: 341 total cpu time spent up to now is 254.4 secs Computing kpt #: 342 total cpu time spent up to now is 255.2 secs Computing kpt #: 343 total cpu time spent up to now is 255.9 secs Computing kpt #: 344 total cpu time spent up to now is 256.6 secs Computing kpt #: 345 total cpu time spent up to now is 257.4 secs Computing kpt #: 346 total cpu time spent up to now is 258.1 secs Computing kpt #: 347 total cpu time spent up to now is 258.9 secs Computing kpt #: 348 total cpu time spent up to now is 259.6 secs Computing kpt #: 349 total cpu time spent up to now is 260.4 secs Computing kpt #: 350 total cpu time spent up to now is 261.1 secs Computing kpt #: 351 total cpu time spent up to now is 261.8 secs Computing kpt #: 352 total cpu time spent up to now is 262.5 secs Computing kpt #: 353 total cpu time spent up to now is 263.2 secs Computing kpt #: 354 total cpu time spent up to now is 264.0 secs Computing kpt #: 355 total cpu time spent up to now is 264.7 secs Computing kpt #: 356 total cpu time spent up to now is 265.4 secs Computing kpt #: 357 total cpu time spent up to now is 266.1 secs Computing kpt #: 358 total cpu time spent up to now is 266.9 secs Computing kpt #: 359 total cpu time spent up to now is 267.6 secs Computing kpt #: 360 total cpu time spent up to now is 268.3 secs Computing kpt #: 361 total cpu time spent up to now is 269.0 secs Computing kpt #: 362 total cpu time spent up to now is 269.8 secs Computing kpt #: 363 total cpu time spent up to now is 270.5 secs Computing kpt #: 364 total cpu time spent up to now is 271.2 secs Computing kpt #: 365 total cpu time spent up to now is 272.0 secs Computing kpt #: 366 total cpu time spent up to now is 272.7 secs Computing kpt #: 367 total cpu time spent up to now is 273.5 secs ethr = 2.17E-08, avg # of iterations = 9.8 total cpu time spent up to now is 273.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8531 PWs) bands (ev): -36.2556 -36.2556 -36.2333 -36.2333 -11.3561 -11.3561 -10.2080 -10.2080 -10.0089 -10.0089 -10.0042 -10.0042 1.8874 1.8874 2.7499 2.7499 2.7565 2.7565 2.8159 2.8159 2.8201 2.8201 3.8342 3.8342 4.0024 4.0024 4.7534 4.7534 4.7817 4.7817 5.7333 5.7333 5.7641 5.7641 5.8824 5.8824 6.1164 6.1164 6.5772 6.5772 6.5951 6.5951 6.6863 6.6863 7.1339 7.1339 7.1923 7.1923 7.2421 7.2421 7.4244 7.4244 7.8651 7.8651 8.3109 8.3109 k = 0.0000 0.0000 0.0166 ( 8541 PWs) bands (ev): -36.2556 -36.2556 -36.2333 -36.2333 -11.3556 -11.3556 -10.2078 -10.2078 -10.0091 -10.0091 -10.0044 -10.0044 1.8879 1.8879 2.7489 2.7489 2.7559 2.7559 2.8148 2.8148 2.8198 2.8198 3.8346 3.8346 4.0027 4.0027 4.7506 4.7506 4.7790 4.7790 5.7293 5.7293 5.7598 5.7598 5.8802 5.8802 6.1197 6.1197 6.5784 6.5784 6.5970 6.5970 6.6883 6.6883 7.1339 7.1339 7.1922 7.1922 7.2478 7.2478 7.4274 7.4274 7.8665 7.8665 8.3120 8.3120 k = 0.0000 0.0000 0.0332 ( 8549 PWs) bands (ev): -36.2556 -36.2556 -36.2333 -36.2333 -11.3539 -11.3539 -10.2072 -10.2072 -10.0098 -10.0098 -10.0050 -10.0050 1.8896 1.8896 2.7440 2.7440 2.7557 2.7557 2.8095 2.8095 2.8207 2.8207 3.8358 3.8358 4.0036 4.0036 4.7411 4.7411 4.7724 4.7724 5.7169 5.7169 5.7475 5.7475 5.8734 5.8734 6.1296 6.1296 6.5819 6.5819 6.6026 6.6026 6.6940 6.6940 7.1340 7.1340 7.1925 7.1925 7.2641 7.2641 7.4366 7.4366 7.8707 7.8707 8.3152 8.3152 k = 0.0000 0.0000 0.0498 ( 8553 PWs) bands (ev): -36.2556 -36.2556 -36.2333 -36.2333 -11.3512 -11.3512 -10.2063 -10.2063 -10.0108 -10.0108 -10.0060 -10.0060 1.8923 1.8923 2.7343 2.7343 2.7571 2.7571 2.7998 2.7998 2.8233 2.8233 3.8377 3.8377 4.0050 4.0050 4.7223 4.7223 4.7648 4.7648 5.6952 5.6952 5.7292 5.7292 5.8623 5.8623 6.1456 6.1456 6.5875 6.5875 6.6117 6.6117 6.7034 6.7034 7.1346 7.1346 7.1939 7.1939 7.2893 7.2893 7.4517 7.4517 7.8775 7.8775 8.3205 8.3205 k = 0.0000 0.0000 0.0664 ( 8559 PWs) bands (ev): -36.2555 -36.2555 -36.2333 -36.2333 -11.3474 -11.3474 -10.2051 -10.2051 -10.0122 -10.0122 -10.0075 -10.0075 1.8962 1.8962 2.7206 2.7206 2.7594 2.7594 2.7861 2.7861 2.8271 2.8271 3.8401 3.8401 4.0066 4.0066 4.6942 4.6942 4.7573 4.7573 5.6635 5.6635 5.7070 5.7070 5.8473 5.8473 6.1671 6.1671 6.5950 6.5950 6.6238 6.6238 6.7163 6.7163 7.1360 7.1360 7.1966 7.1966 7.3223 7.3223 7.4727 7.4727 7.8869 7.8869 8.3278 8.3278 k = 0.0000 0.0000 0.0830 ( 8551 PWs) bands (ev): -36.2555 -36.2555 -36.2334 -36.2334 -11.3424 -11.3424 -10.2035 -10.2035 -10.0141 -10.0141 -10.0094 -10.0094 1.9011 1.9011 2.7030 2.7030 2.7623 2.7623 2.7689 2.7689 2.8319 2.8319 3.8430 3.8430 4.0084 4.0084 4.6583 4.6583 4.7496 4.7496 5.6226 5.6226 5.6817 5.6817 5.8287 5.8287 6.1933 6.1933 6.6040 6.6040 6.6386 6.6386 6.7323 6.7323 7.1385 7.1385 7.2006 7.2006 7.3623 7.3623 7.4994 7.4994 7.8987 7.8987 8.3371 8.3371 k = 0.0000 0.0000 0.0995 ( 8553 PWs) bands (ev): -36.2554 -36.2554 -36.2334 -36.2334 -11.3365 -11.3365 -10.2015 -10.2015 -10.0163 -10.0163 -10.0116 -10.0116 1.9072 1.9072 2.6820 2.6820 2.7481 2.7481 2.7660 2.7660 2.8377 2.8377 3.8461 3.8461 4.0098 4.0098 4.6159 4.6159 4.7413 4.7413 5.5739 5.5739 5.6539 5.6539 5.8068 5.8068 6.2235 6.2235 6.6145 6.6145 6.6556 6.6556 6.7510 6.7510 7.1421 7.1421 7.2056 7.2056 7.4085 7.4085 7.5314 7.5314 7.9127 7.9127 8.3482 8.3482 k = 0.0000 0.0000 0.1161 ( 8545 PWs) bands (ev): -36.2553 -36.2553 -36.2334 -36.2334 -11.3294 -11.3294 -10.1993 -10.1993 -10.0189 -10.0189 -10.0143 -10.0143 1.9144 1.9144 2.6577 2.6577 2.7244 2.7244 2.7700 2.7700 2.8442 2.8442 3.8493 3.8493 4.0105 4.0105 4.5685 4.5685 4.7326 4.7326 5.5186 5.5186 5.6241 5.6241 5.7821 5.7821 6.2568 6.2568 6.6265 6.6265 6.6746 6.6746 6.7720 6.7720 7.1468 7.1468 7.2116 7.2116 7.4603 7.4603 7.5685 7.5685 7.9288 7.9288 8.3610 8.3610 k = 0.0000 0.0000 0.1327 ( 8533 PWs) bands (ev): -36.2552 -36.2552 -36.2335 -36.2335 -11.3213 -11.3213 -10.1967 -10.1967 -10.0219 -10.0219 -10.0173 -10.0173 1.9226 1.9226 2.6305 2.6305 2.6977 2.6977 2.7743 2.7743 2.8515 2.8515 3.8522 3.8522 4.0100 4.0100 4.5173 4.5173 4.7235 4.7235 5.4578 5.4578 5.5927 5.5927 5.7550 5.7550 6.2926 6.2926 6.6399 6.6399 6.6953 6.6953 6.7946 6.7946 7.1525 7.1525 7.2185 7.2185 7.5170 7.5170 7.6103 7.6103 7.9467 7.9467 8.3754 8.3754 k = 0.0000 0.0000 0.1493 ( 8537 PWs) bands (ev): -36.2551 -36.2551 -36.2335 -36.2335 -11.3121 -11.3121 -10.1938 -10.1938 -10.0253 -10.0253 -10.0207 -10.0207 1.9320 1.9320 2.6006 2.6006 2.6685 2.6685 2.7788 2.7788 2.8594 2.8594 3.8547 3.8547 4.0075 4.0075 4.4637 4.4637 4.7145 4.7145 5.3925 5.3925 5.5605 5.5605 5.7257 5.7257 6.3300 6.3300 6.6548 6.6548 6.7175 6.7175 6.8186 6.8186 7.1592 7.1592 7.2263 7.2263 7.5780 7.5780 7.6565 7.6565 7.9662 7.9662 8.3912 8.3912 k = 0.0000 0.0000 0.1659 ( 8549 PWs) bands (ev): -36.2550 -36.2550 -36.2336 -36.2336 -11.3019 -11.3019 -10.1907 -10.1907 -10.0290 -10.0290 -10.0245 -10.0245 1.9425 1.9425 2.5683 2.5683 2.6369 2.6369 2.7834 2.7834 2.8676 2.8676 3.8566 3.8566 4.0020 4.0020 4.4092 4.4092 4.7057 4.7057 5.3234 5.3234 5.5281 5.5281 5.6946 5.6946 6.3686 6.3686 6.6714 6.6714 6.7411 6.7411 6.8434 6.8434 7.1669 7.1669 7.2349 7.2349 7.6428 7.6428 7.7068 7.7068 7.9872 7.9872 8.4083 8.4083 k = 0.0000 0.0000 0.1825 ( 8545 PWs) bands (ev): -36.2549 -36.2549 -36.2337 -36.2337 -11.2907 -11.2907 -10.1873 -10.1873 -10.0330 -10.0330 -10.0286 -10.0286 1.9541 1.9541 2.5339 2.5339 2.6033 2.6033 2.7878 2.7878 2.8762 2.8762 3.8577 3.8577 3.9921 3.9921 4.3557 4.3557 4.6975 4.6975 5.2513 5.2513 5.4960 5.4960 5.6619 5.6619 6.4078 6.4078 6.6897 6.6897 6.7659 6.7659 6.8688 6.8688 7.1754 7.1754 7.2443 7.2443 7.7108 7.7108 7.7607 7.7607 8.0094 8.0094 8.4266 8.4266 k = 0.0000 0.0000 0.1991 ( 8535 PWs) bands (ev): -36.2548 -36.2548 -36.2337 -36.2337 -11.2785 -11.2785 -10.1836 -10.1836 -10.0374 -10.0374 -10.0330 -10.0330 1.9668 1.9668 2.4975 2.4975 2.5678 2.5678 2.7919 2.7919 2.8848 2.8848 3.8577 3.8577 3.9759 3.9759 4.3055 4.3055 4.6902 4.6902 5.1767 5.1767 5.4648 5.4648 5.6279 5.6279 6.4470 6.4470 6.7100 6.7100 6.7916 6.7916 6.8946 6.8946 7.1849 7.1849 7.2545 7.2545 7.7816 7.7816 7.8180 7.8180 8.0326 8.0326 8.4458 8.4458 k = 0.0000 0.0000 0.2157 ( 8535 PWs) bands (ev): -36.2546 -36.2546 -36.2338 -36.2338 -11.2652 -11.2652 -10.1797 -10.1797 -10.0421 -10.0421 -10.0378 -10.0378 1.9806 1.9806 2.4595 2.4595 2.5307 2.5307 2.7956 2.7956 2.8934 2.8934 3.8564 3.8564 3.9512 3.9512 4.2612 4.2612 4.6841 4.6841 5.1002 5.1002 5.4350 5.4350 5.5928 5.5928 6.4857 6.4857 6.7323 6.7323 6.8183 6.8183 6.9205 6.9205 7.1951 7.1951 7.2654 7.2654 7.8549 7.8549 7.8784 7.8784 8.0569 8.0569 8.4658 8.4658 k = 0.0000 0.0000 0.2323 ( 8547 PWs) bands (ev): -36.2545 -36.2545 -36.2339 -36.2339 -11.2511 -11.2511 -10.1757 -10.1757 -10.0471 -10.0471 -10.0428 -10.0428 1.9956 1.9956 2.4200 2.4200 2.4921 2.4921 2.7987 2.7987 2.9017 2.9017 3.8537 3.8537 3.9163 3.9163 4.2248 4.2248 4.6794 4.6794 5.0226 5.0226 5.4069 5.4069 5.5569 5.5569 6.5235 6.5235 6.7568 6.7568 6.8457 6.8457 6.9464 6.9464 7.2062 7.2062 7.2772 7.2772 7.9301 7.9301 7.9415 7.9415 8.0820 8.0820 8.4864 8.4864 k = 0.0000 0.0000 0.2489 ( 8551 PWs) bands (ev): -36.2543 -36.2543 -36.2340 -36.2340 -11.2360 -11.2360 -10.1715 -10.1715 -10.0523 -10.0523 -10.0481 -10.0481 2.0116 2.0116 2.3792 2.3792 2.4524 2.4524 2.8011 2.8011 2.9096 2.9096 3.8491 3.8491 3.8710 3.8710 4.1970 4.1970 4.6763 4.6763 4.9443 4.9443 5.3811 5.3811 5.5202 5.5202 6.5602 6.5602 6.7837 6.7837 6.8736 6.8736 6.9720 6.9720 7.2181 7.2181 7.2898 7.2898 8.0062 8.0062 8.0080 8.0080 8.1078 8.1078 8.5076 8.5076 k = 0.0000 0.0000 0.2655 ( 8547 PWs) bands (ev): -36.2541 -36.2541 -36.2341 -36.2341 -11.2199 -11.2199 -10.1671 -10.1671 -10.0578 -10.0578 -10.0537 -10.0537 2.0287 2.0287 2.3374 2.3374 2.4116 2.4116 2.8026 2.8026 2.9168 2.9168 3.8167 3.8167 3.8426 3.8426 4.1764 4.1764 4.6751 4.6751 4.8659 4.8659 5.3577 5.3577 5.4831 5.4831 6.5953 6.5953 6.8129 6.8129 6.9021 6.9021 6.9973 6.9973 7.2307 7.2307 7.3031 7.3031 8.0742 8.0742 8.0859 8.0859 8.1347 8.1347 8.5292 8.5292 k = 0.0000 0.0000 0.2821 ( 8555 PWs) bands (ev): -36.2540 -36.2540 -36.2342 -36.2342 -11.2030 -11.2030 -10.1627 -10.1627 -10.0635 -10.0635 -10.0595 -10.0595 2.0468 2.0468 2.2947 2.2947 2.3700 2.3700 2.8030 2.8030 2.9233 2.9233 3.7559 3.7559 3.8337 3.8337 4.1613 4.1613 4.6758 4.6758 4.7882 4.7882 5.3372 5.3372 5.4456 5.4456 6.6288 6.6288 6.8443 6.8443 6.9309 6.9309 7.0220 7.0220 7.2440 7.2440 7.3173 7.3173 8.1409 8.1409 8.1631 8.1631 8.1671 8.1671 8.5510 8.5510 k = 0.0000 0.0000 0.2986 ( 8547 PWs) bands (ev): -36.2538 -36.2538 -36.2343 -36.2343 -11.1852 -11.1852 -10.1582 -10.1582 -10.0694 -10.0694 -10.0655 -10.0655 2.0660 2.0660 2.2512 2.2512 2.3277 2.3277 2.8024 2.8024 2.9287 2.9287 3.6905 3.6905 3.8220 3.8220 4.1497 4.1497 4.6784 4.6784 4.7118 4.7118 5.3197 5.3197 5.4081 5.4081 6.6607 6.6607 6.8777 6.8777 6.9600 6.9600 7.0462 7.0462 7.2580 7.2580 7.3322 7.3322 8.1840 8.1840 8.2202 8.2202 8.2466 8.2466 8.5730 8.5730 k = 0.0000 0.0000 0.3152 ( 8533 PWs) bands (ev): -36.2535 -36.2535 -36.2345 -36.2345 -11.1666 -11.1666 -10.1536 -10.1536 -10.0756 -10.0756 -10.0717 -10.0717 2.0862 2.0862 2.2072 2.2072 2.2848 2.2848 2.8005 2.8005 2.9330 2.9330 3.6223 3.6223 3.8072 3.8072 4.1403 4.1403 4.6370 4.6370 4.6834 4.6834 5.3055 5.3055 5.3708 5.3708 6.6911 6.6911 6.9127 6.9127 6.9893 6.9893 7.0697 7.0697 7.2726 7.2726 7.3480 7.3480 8.2129 8.2129 8.2921 8.2921 8.3281 8.3281 8.5950 8.5950 k = 0.0000 0.0000 0.3318 ( 8531 PWs) bands (ev): -36.2533 -36.2533 -36.2346 -36.2346 -11.1471 -11.1471 -10.1491 -10.1491 -10.0819 -10.0819 -10.0781 -10.0781 2.1071 2.1071 2.1631 2.1631 2.2415 2.2415 2.7974 2.7974 2.9361 2.9361 3.5524 3.5524 3.7887 3.7887 4.1322 4.1322 4.5654 4.5654 4.6899 4.6899 5.2946 5.2946 5.3341 5.3341 6.7201 6.7201 6.9490 6.9490 7.0186 7.0186 7.0925 7.0925 7.2878 7.2878 7.3646 7.3646 8.2410 8.2410 8.3664 8.3664 8.4103 8.4103 8.6169 8.6169 k = 0.0000 0.0000 0.3484 ( 8527 PWs) bands (ev): -36.2531 -36.2531 -36.2347 -36.2347 -11.1269 -11.1269 -10.1446 -10.1446 -10.0883 -10.0883 -10.0846 -10.0846 2.1141 2.1141 2.1336 2.1336 2.1979 2.1979 2.7930 2.7930 2.9379 2.9379 3.4818 3.4818 3.7660 3.7660 4.1249 4.1249 4.4973 4.4973 4.6978 4.6978 5.2863 5.2863 5.2992 5.2992 6.7481 6.7481 6.9860 6.9860 7.0479 7.0479 7.1147 7.1147 7.3034 7.3034 7.3819 7.3819 8.2691 8.2691 8.4421 8.4421 8.4929 8.4929 8.6387 8.6387 k = 0.0000 0.0000 0.3650 ( 8533 PWs) bands (ev): -36.2529 -36.2529 -36.2349 -36.2349 -11.1060 -11.1060 -10.1402 -10.1402 -10.0949 -10.0949 -10.0913 -10.0913 2.0714 2.0714 2.1537 2.1537 2.1548 2.1548 2.7873 2.7873 2.9382 2.9382 3.4110 3.4110 3.7385 3.7385 4.1178 4.1178 4.4337 4.4337 4.7068 4.7068 5.2622 5.2622 5.2852 5.2852 6.7751 6.7751 7.0234 7.0234 7.0771 7.0771 7.1363 7.1363 7.3195 7.3195 7.4000 7.4000 8.2972 8.2972 8.5189 8.5189 8.5756 8.5756 8.6603 8.6603 k = 0.0000 0.0000 0.3816 ( 8535 PWs) bands (ev): -36.2527 -36.2527 -36.2350 -36.2350 -11.0843 -11.0843 -10.1359 -10.1359 -10.1015 -10.1015 -10.0981 -10.0981 2.0263 2.0263 2.1101 2.1101 2.1785 2.1785 2.7804 2.7804 2.9370 2.9370 3.3406 3.3406 3.7058 3.7058 4.1110 4.1110 4.3752 4.3752 4.7161 4.7161 5.2303 5.2303 5.2848 5.2848 6.8014 6.8014 7.0605 7.0605 7.1059 7.1059 7.1577 7.1577 7.3359 7.3359 7.4188 7.4188 8.3254 8.3254 8.5966 8.5966 8.6574 8.6574 8.6826 8.6826 k = 0.0000 0.0000 0.3982 ( 8529 PWs) bands (ev): -36.2524 -36.2524 -36.2352 -36.2352 -11.0620 -11.0620 -10.1318 -10.1318 -10.1083 -10.1083 -10.1049 -10.1049 1.9811 1.9811 2.0662 2.0662 2.2037 2.2037 2.7723 2.7723 2.9345 2.9345 3.2710 3.2710 3.6676 3.6676 4.1041 4.1041 4.3224 4.3224 4.7246 4.7246 5.2012 5.2012 5.2884 5.2884 6.8270 6.8270 7.0969 7.0969 7.1340 7.1340 7.1794 7.1794 7.3526 7.3526 7.4381 7.4381 8.3536 8.3536 8.6749 8.6749 8.7009 8.7009 8.7430 8.7430 k = 0.0000 0.0000 0.4148 ( 8521 PWs) bands (ev): -36.2522 -36.2522 -36.2353 -36.2353 -11.0390 -11.0390 -10.1279 -10.1279 -10.1150 -10.1150 -10.1118 -10.1118 1.9358 1.9358 2.0223 2.0223 2.2298 2.2298 2.7631 2.7631 2.9304 2.9304 3.2025 3.2025 3.6239 3.6239 4.0971 4.0971 4.2755 4.2755 4.7309 4.7309 5.1766 5.1766 5.2957 5.2957 6.8521 6.8521 7.1317 7.1317 7.1610 7.1610 7.2024 7.2024 7.3696 7.3696 7.4579 7.4579 8.3818 8.3818 8.7217 8.7217 8.7539 8.7539 8.8252 8.8252 k = 0.0000 0.0000 0.4314 ( 8521 PWs) bands (ev): -36.2519 -36.2519 -36.2355 -36.2355 -11.0154 -11.0154 -10.1247 -10.1247 -10.1216 -10.1216 -10.1185 -10.1185 1.8907 1.8907 1.9786 1.9786 2.2568 2.2568 2.7529 2.7529 2.9251 2.9251 3.1354 3.1354 3.5750 3.5750 4.0900 4.0900 4.2346 4.2346 4.7333 4.7333 5.1580 5.1580 5.3064 5.3064 6.8767 6.8767 7.1639 7.1639 7.1866 7.1866 7.2277 7.2277 7.3866 7.3866 7.4781 7.4781 8.4100 8.4100 8.7417 8.7417 8.8330 8.8330 8.9075 8.9075 k = 0.0000 0.0000 0.4480 ( 8525 PWs) bands (ev): -36.2516 -36.2516 -36.2357 -36.2357 -10.9913 -10.9913 -10.1290 -10.1290 -10.1261 -10.1261 -10.1201 -10.1201 1.8458 1.8458 1.9352 1.9352 2.2845 2.2845 2.7417 2.7417 2.9185 2.9185 3.0699 3.0699 3.5215 3.5215 4.0828 4.0828 4.1991 4.1991 4.7302 4.7302 5.1470 5.1470 5.3204 5.3204 6.9008 6.9008 7.1914 7.1914 7.2120 7.2120 7.2559 7.2559 7.4039 7.4039 7.4986 7.4986 8.4380 8.4380 8.7610 8.7610 8.9123 8.9123 8.9895 8.9895 k = 0.0000 0.0000 0.4646 ( 8521 PWs) bands (ev): -36.2514 -36.2514 -36.2359 -36.2359 -10.9667 -10.9667 -10.1357 -10.1357 -10.1329 -10.1329 -10.1173 -10.1173 1.8012 1.8012 1.8921 1.8921 2.3129 2.3129 2.7298 2.7298 2.9109 2.9109 3.0063 3.0063 3.4643 3.4643 4.0754 4.0754 4.1685 4.1685 4.7203 4.7203 5.1447 5.1447 5.3374 5.3374 6.9246 6.9246 7.2130 7.2130 7.2390 7.2390 7.2862 7.2862 7.4212 7.4212 7.5192 7.5192 8.4658 8.4658 8.7798 8.7798 8.9917 8.9917 9.0708 9.0708 k = 0.0000 0.0000 0.4811 ( 8518 PWs) bands (ev): -36.2511 -36.2511 -36.2361 -36.2361 -10.9416 -10.9416 -10.1425 -10.1425 -10.1397 -10.1397 -10.1147 -10.1147 1.7571 1.7571 1.8494 1.8494 2.3419 2.3419 2.7172 2.7172 2.9025 2.9025 2.9448 2.9448 3.4042 3.4042 4.0680 4.0680 4.1420 4.1420 4.7032 4.7032 5.1514 5.1514 5.3574 5.3574 6.9479 6.9479 7.2305 7.2305 7.2667 7.2667 7.3178 7.3178 7.4387 7.4387 7.5398 7.5398 8.4935 8.4935 8.7979 8.7979 9.0708 9.0708 9.1515 9.1515 k = 0.0000 0.0000 0.4977 ( 8510 PWs) bands (ev): -36.2508 -36.2508 -36.2362 -36.2362 -10.9161 -10.9161 -10.1493 -10.1493 -10.1466 -10.1466 -10.1124 -10.1124 1.7136 1.7136 1.8072 1.8072 2.3712 2.3712 2.7041 2.7041 2.8854 2.8854 2.8935 2.8935 3.3422 3.3422 4.0605 4.0605 4.1191 4.1191 4.6792 4.6792 5.1663 5.1663 5.3799 5.3799 6.9707 6.9707 7.2457 7.2457 7.2941 7.2941 7.3495 7.3495 7.4564 7.4564 7.5602 7.5602 8.5208 8.5208 8.8153 8.8153 9.1497 9.1497 9.2313 9.2313 k = 0.0000 0.0000 0.5143 ( 8486 PWs) bands (ev): -36.2505 -36.2505 -36.2364 -36.2364 -10.8902 -10.8902 -10.1559 -10.1559 -10.1533 -10.1533 -10.1106 -10.1106 1.6706 1.6706 1.7654 1.7654 2.4008 2.4008 2.6906 2.6906 2.8284 2.8284 2.8841 2.8841 3.2790 3.2790 4.0529 4.0529 4.0992 4.0992 4.6496 4.6496 5.1881 5.1881 5.4047 5.4047 6.9931 6.9931 7.2593 7.2593 7.3207 7.3207 7.3808 7.3808 7.4743 7.4743 7.5805 7.5805 8.5479 8.5479 8.8321 8.8321 9.2280 9.2280 9.3100 9.3100 k = 0.0000 0.0000 0.5309 ( 8496 PWs) bands (ev): -36.2502 -36.2502 -36.2366 -36.2366 -10.8640 -10.8640 -10.1625 -10.1625 -10.1600 -10.1600 -10.1093 -10.1093 1.6285 1.6285 1.7243 1.7243 2.4302 2.4302 2.6769 2.6769 2.7738 2.7738 2.8749 2.8749 3.2153 3.2153 4.0453 4.0453 4.0815 4.0815 4.6155 4.6155 5.2156 5.2156 5.4316 5.4316 7.0151 7.0151 7.2717 7.2717 7.3466 7.3466 7.4110 7.4110 7.4925 7.4925 7.6004 7.6004 8.5745 8.5745 8.8481 8.8481 9.3057 9.3057 9.3876 9.3876 k = 0.0000 0.0000 0.5475 ( 8508 PWs) bands (ev): -36.2499 -36.2499 -36.2369 -36.2369 -10.8375 -10.8375 -10.1690 -10.1690 -10.1666 -10.1666 -10.1086 -10.1086 1.5872 1.5872 1.6838 1.6838 2.4593 2.4593 2.6630 2.6630 2.7218 2.7218 2.8664 2.8664 3.1518 3.1518 4.0377 4.0377 4.0659 4.0659 4.5778 4.5778 5.2473 5.2473 5.4602 5.4602 7.0366 7.0366 7.2831 7.2831 7.3717 7.3717 7.4397 7.4397 7.5113 7.5113 7.6199 7.6199 8.6007 8.6007 8.8635 8.8635 9.3826 9.3826 9.4640 9.4640 k = 0.0000 0.0000 0.5641 ( 8516 PWs) bands (ev): -36.2496 -36.2496 -36.2371 -36.2371 -10.8108 -10.8108 -10.1753 -10.1753 -10.1730 -10.1730 -10.1084 -10.1084 1.5468 1.5468 1.6441 1.6441 2.4873 2.4873 2.6490 2.6490 2.6724 2.6724 2.8592 2.8592 3.0890 3.0890 4.0302 4.0302 4.0518 4.0518 4.5374 4.5374 5.2824 5.2824 5.4901 5.4901 7.0576 7.0576 7.2937 7.2937 7.3960 7.3960 7.4664 7.4664 7.5309 7.5309 7.6388 7.6388 8.6264 8.6264 8.8780 8.8780 9.4584 9.4584 9.5388 9.5388 k = 0.0000 0.0000 0.5807 ( 8512 PWs) bands (ev): -36.2493 -36.2493 -36.2373 -36.2373 -10.7840 -10.7840 -10.1814 -10.1814 -10.1793 -10.1793 -10.1089 -10.1089 1.5076 1.5076 1.6052 1.6052 2.5137 2.5137 2.6256 2.6256 2.6354 2.6354 2.8540 2.8540 3.0272 3.0272 4.0228 4.0228 4.0392 4.0392 4.4949 4.4949 5.3198 5.3198 5.5212 5.5212 7.0780 7.0780 7.3035 7.3035 7.4194 7.4194 7.4907 7.4907 7.5513 7.5513 7.6572 7.6572 8.6515 8.6515 8.8918 8.8918 9.5331 9.5331 9.6121 9.6121 k = 0.0000 0.0000 0.5973 ( 8514 PWs) bands (ev): -36.2490 -36.2490 -36.2375 -36.2375 -10.7570 -10.7570 -10.1874 -10.1874 -10.1854 -10.1854 -10.1100 -10.1100 1.4696 1.4696 1.5671 1.5671 2.5374 2.5374 2.5818 2.5818 2.6218 2.6218 2.8520 2.8520 2.9668 2.9668 4.0155 4.0155 4.0276 4.0276 4.4508 4.4508 5.3589 5.3589 5.5530 5.5530 7.0979 7.0979 7.3125 7.3125 7.4421 7.4421 7.5126 7.5126 7.5727 7.5727 7.6750 7.6750 8.6760 8.6760 8.9048 8.9048 9.6064 9.6064 9.6837 9.6837 k = 0.0000 0.0000 0.6139 ( 8526 PWs) bands (ev): -36.2487 -36.2487 -36.2378 -36.2378 -10.7300 -10.7300 -10.1932 -10.1932 -10.1913 -10.1913 -10.1119 -10.1119 1.4329 1.4329 1.5299 1.5299 2.5402 2.5402 2.5579 2.5579 2.6085 2.6085 2.8543 2.8543 2.9082 2.9082 4.0084 4.0084 4.0171 4.0171 4.4054 4.4054 5.3991 5.3991 5.5852 5.5852 7.1172 7.1172 7.3207 7.3207 7.4638 7.4638 7.5323 7.5323 7.5947 7.5947 7.6920 7.6920 8.6999 8.6999 8.9170 8.9170 9.6782 9.6782 9.7533 9.7533 k = 0.0000 0.0000 0.6305 ( 8528 PWs) bands (ev): -36.2484 -36.2484 -36.2380 -36.2380 -10.7030 -10.7030 -10.1988 -10.1988 -10.1970 -10.1970 -10.1145 -10.1145 1.3977 1.3977 1.4938 1.4938 2.5020 2.5020 2.5731 2.5731 2.5959 2.5959 2.8505 2.8505 2.8629 2.8629 4.0014 4.0014 4.0074 4.0074 4.3591 4.3591 5.4400 5.4400 5.6175 5.6175 7.1358 7.1358 7.3283 7.3283 7.4847 7.4847 7.5499 7.5499 7.6169 7.6169 7.7083 7.7083 8.7231 8.7231 8.9283 8.9283 9.7482 9.7482 9.8208 9.8208 k = 0.0000 0.0000 0.6471 ( 8526 PWs) bands (ev): -36.2481 -36.2481 -36.2383 -36.2383 -10.6760 -10.6760 -10.2041 -10.2041 -10.2024 -10.2024 -10.1179 -10.1179 1.3641 1.3641 1.4588 1.4588 2.4665 2.4665 2.5809 2.5809 2.5861 2.5861 2.7964 2.7964 2.8762 2.8762 3.9947 3.9947 3.9985 3.9985 4.3118 4.3118 5.4810 5.4810 5.6496 5.6496 7.1539 7.1539 7.3351 7.3351 7.5046 7.5046 7.5660 7.5660 7.6389 7.6389 7.7238 7.7238 8.7455 8.7455 8.9388 8.9388 9.8163 9.8163 9.8861 9.8861 k = 0.0000 0.0000 0.6636 ( 8524 PWs) bands (ev): -36.2477 -36.2477 -36.2385 -36.2385 -10.6492 -10.6492 -10.2092 -10.2092 -10.2076 -10.2076 -10.1221 -10.1221 1.3322 1.3322 1.4249 1.4249 2.4338 2.4338 2.5711 2.5711 2.5892 2.5892 2.7441 2.7441 2.8962 2.8962 3.9883 3.9883 3.9902 3.9902 4.2640 4.2640 5.5218 5.5218 5.6812 5.6812 7.1713 7.1713 7.3412 7.3412 7.5236 7.5236 7.5807 7.5807 7.6602 7.6602 7.7385 7.7385 8.7671 8.7671 8.9484 8.9484 9.8822 9.8822 9.9489 9.9489 k = 0.0000 0.0000 0.6802 ( 8516 PWs) bands (ev): -36.2474 -36.2474 -36.2388 -36.2388 -10.6225 -10.6225 -10.2141 -10.2141 -10.2126 -10.2126 -10.1271 -10.1271 1.3021 1.3021 1.3924 1.3924 2.4039 2.4039 2.5602 2.5602 2.5898 2.5898 2.6941 2.6941 2.9218 2.9218 3.9821 3.9821 3.9826 3.9826 4.2155 4.2155 5.5620 5.5620 5.7120 5.7120 7.1881 7.1881 7.3466 7.3466 7.5416 7.5416 7.5942 7.5942 7.6806 7.6806 7.7522 7.7522 8.7879 8.7879 8.9571 8.9571 9.9457 9.9457 10.0090 10.0090 k = 0.0000 0.0000 0.6968 ( 8512 PWs) bands (ev): -36.2471 -36.2471 -36.2391 -36.2391 -10.5960 -10.5960 -10.2186 -10.2186 -10.2173 -10.2173 -10.1331 -10.1331 1.2740 1.2740 1.3611 1.3611 2.3768 2.3768 2.5499 2.5499 2.5869 2.5869 2.6466 2.6466 2.9520 2.9520 3.9756 3.9756 3.9762 3.9762 4.1667 4.1667 5.6013 5.6013 5.7416 5.7416 7.2041 7.2041 7.3513 7.3513 7.5586 7.5586 7.6068 7.6068 7.7001 7.7001 7.7651 7.7651 8.8078 8.8078 8.9649 8.9649 10.0066 10.0066 10.0663 10.0663 k = 0.0000 0.0000 0.7134 ( 8508 PWs) bands (ev): -36.2468 -36.2468 -36.2393 -36.2393 -10.5698 -10.5698 -10.2229 -10.2229 -10.2217 -10.2217 -10.1399 -10.1399 1.2479 1.2479 1.3313 1.3313 2.3525 2.3525 2.5404 2.5404 2.5813 2.5813 2.6020 2.6020 2.9859 2.9859 3.9690 3.9690 3.9707 3.9707 4.1177 4.1177 5.6395 5.6395 5.7699 5.7699 7.2194 7.2194 7.3553 7.3553 7.5746 7.5746 7.6183 7.6183 7.7184 7.7184 7.7770 7.7770 8.8268 8.8268 8.9717 8.9717 10.0646 10.0646 10.1205 10.1205 k = 0.0000 0.0000 0.7300 ( 8508 PWs) bands (ev): -36.2464 -36.2464 -36.2396 -36.2396 -10.5439 -10.5439 -10.2269 -10.2269 -10.2258 -10.2258 -10.1476 -10.1476 1.2239 1.2239 1.3031 1.3031 2.3310 2.3310 2.5317 2.5317 2.5588 2.5588 2.5753 2.5753 3.0228 3.0228 3.9628 3.9628 3.9655 3.9655 4.0685 4.0685 5.6761 5.6761 5.7964 5.7964 7.2341 7.2341 7.3585 7.3585 7.5895 7.5895 7.6289 7.6289 7.7354 7.7354 7.7879 7.7879 8.8449 8.8449 8.9776 8.9776 10.1195 10.1195 10.1714 10.1714 k = 0.0000 0.0000 0.7466 ( 8508 PWs) bands (ev): -36.2461 -36.2461 -36.2399 -36.2399 -10.5185 -10.5185 -10.2306 -10.2306 -10.2296 -10.2296 -10.1563 -10.1563 1.2022 1.2022 1.2764 1.2764 2.3123 2.3123 2.5195 2.5195 2.5239 2.5239 2.5670 2.5670 3.0619 3.0619 3.9565 3.9565 3.9607 3.9607 4.0198 4.0198 5.7110 5.7110 5.8211 5.8211 7.2479 7.2479 7.3610 7.3610 7.6033 7.6033 7.6385 7.6385 7.7512 7.7512 7.7979 7.7979 8.8620 8.8620 8.9826 8.9826 10.1711 10.1711 10.2188 10.2188 k = 0.0000 0.0000 0.7632 ( 8516 PWs) bands (ev): -36.2458 -36.2458 -36.2402 -36.2402 -10.4934 -10.4934 -10.2339 -10.2339 -10.2330 -10.2330 -10.1659 -10.1659 1.1828 1.1828 1.2515 1.2515 2.2964 2.2964 2.4828 2.4828 2.5170 2.5170 2.5586 2.5586 3.1029 3.1029 3.9463 3.9463 3.9563 3.9563 3.9753 3.9753 5.7440 5.7440 5.8436 5.8436 7.2611 7.2611 7.3627 7.3627 7.6159 7.6159 7.6472 7.6472 7.7657 7.7657 7.8068 7.8068 8.8781 8.8781 8.9865 8.9865 10.2190 10.2190 10.2623 10.2623 k = 0.0000 0.0000 0.7798 ( 8516 PWs) bands (ev): -36.2455 -36.2455 -36.2404 -36.2404 -10.4689 -10.4689 -10.2369 -10.2369 -10.2362 -10.2362 -10.1765 -10.1765 1.1657 1.1657 1.2284 1.2284 2.2833 2.2833 2.4488 2.4488 2.5111 2.5111 2.5501 2.5501 3.1454 3.1454 3.9123 3.9123 3.9523 3.9523 3.9550 3.9550 5.7747 5.7747 5.8637 5.8637 7.2734 7.2734 7.3638 7.3638 7.6275 7.6275 7.6548 7.6548 7.7788 7.7788 7.8146 7.8146 8.8932 8.8932 8.9895 8.9895 10.2630 10.2630 10.3019 10.3019 k = 0.0000 0.0000 0.7964 ( 8516 PWs) bands (ev): -36.2451 -36.2451 -36.2407 -36.2407 -10.4449 -10.4449 -10.2396 -10.2396 -10.2390 -10.2390 -10.1880 -10.1880 1.1511 1.1511 1.2072 1.2072 2.2729 2.2729 2.4176 2.4176 2.5062 2.5062 2.5417 2.5417 3.1892 3.1892 3.8645 3.8645 3.9486 3.9486 3.9491 3.9491 5.8030 5.8030 5.8813 5.8813 7.2850 7.2850 7.3640 7.3640 7.6379 7.6379 7.6615 7.6615 7.7907 7.7907 7.8214 7.8214 8.9072 8.9072 8.9914 8.9914 10.3029 10.3029 10.3372 10.3372 k = 0.0000 0.0000 0.8130 ( 8510 PWs) bands (ev): -36.2448 -36.2448 -36.2410 -36.2410 -10.4215 -10.4215 -10.2420 -10.2420 -10.2414 -10.2414 -10.2005 -10.2005 1.1390 1.1390 1.1880 1.1880 2.2653 2.2653 2.3892 2.3892 2.5023 2.5023 2.5337 2.5337 3.2339 3.2339 3.8151 3.8151 3.9451 3.9451 3.9456 3.9456 5.8287 5.8287 5.8961 5.8961 7.2958 7.2958 7.3635 7.3635 7.6472 7.6472 7.6671 7.6671 7.8012 7.8012 7.8271 7.8271 8.9202 8.9202 8.9924 8.9924 10.3384 10.3384 10.3680 10.3680 k = 0.0000 0.0000 0.8296 ( 8496 PWs) bands (ev): -36.2445 -36.2445 -36.2413 -36.2413 -10.3987 -10.3987 -10.2440 -10.2440 -10.2435 -10.2435 -10.2139 -10.2139 1.1294 1.1294 1.1709 1.1709 2.2605 2.2605 2.3635 2.3635 2.4995 2.4995 2.5263 2.5263 3.2796 3.2796 3.7653 3.7653 3.9422 3.9422 3.9428 3.9428 5.8517 5.8517 5.9080 5.9080 7.3058 7.3058 7.3622 7.3622 7.6552 7.6552 7.6717 7.6717 7.8103 7.8103 7.8316 7.8316 8.9322 8.9322 8.9923 8.9923 10.3693 10.3693 10.3941 10.3941 k = 0.0000 0.0000 0.8462 ( 8500 PWs) bands (ev): -36.2441 -36.2441 -36.2416 -36.2416 -10.3766 -10.3766 -10.2459 -10.2459 -10.2453 -10.2453 -10.2280 -10.2280 1.1223 1.1223 1.1560 1.1560 2.2583 2.2583 2.3407 2.3407 2.4976 2.4976 2.5195 2.5195 3.3261 3.3261 3.7155 3.7155 3.9399 3.9399 3.9405 3.9405 5.8717 5.8717 5.9169 5.9169 7.3151 7.3151 7.3601 7.3601 7.6621 7.6621 7.6752 7.6752 7.8182 7.8182 7.8350 7.8350 8.9431 8.9431 8.9911 8.9911 10.3953 10.3953 10.4152 10.4152 k = 0.0000 0.0000 0.8627 ( 8500 PWs) bands (ev): -36.2438 -36.2438 -36.2419 -36.2419 -10.3552 -10.3552 -10.2489 -10.2489 -10.2466 -10.2466 -10.2417 -10.2417 1.1178 1.1178 1.1433 1.1433 2.2590 2.2590 2.3207 2.3207 2.4969 2.4969 2.5135 2.5135 3.3733 3.3733 3.6658 3.6658 3.9382 3.9382 3.9388 3.9388 5.8887 5.8887 5.9226 5.9226 7.3235 7.3235 7.3573 7.3573 7.6679 7.6679 7.6776 7.6776 7.8247 7.8247 7.8372 7.8372 8.9529 8.9529 8.9889 8.9889 10.4164 10.4164 10.4313 10.4313 k = 0.0000 0.0000 0.8793 ( 8512 PWs) bands (ev): -36.2435 -36.2435 -36.2423 -36.2423 -10.3346 -10.3346 -10.2612 -10.2612 -10.2475 -10.2475 -10.2466 -10.2466 1.1158 1.1158 1.1330 1.1330 2.2624 2.2624 2.3035 2.3035 2.4971 2.4971 2.5084 2.5084 3.4210 3.4210 3.6162 3.6162 3.9370 3.9370 3.9374 3.9374 5.9025 5.9025 5.9252 5.9252 7.3311 7.3311 7.3536 7.3536 7.6724 7.6724 7.6788 7.6788 7.8300 7.8300 7.8382 7.8382 8.9616 8.9616 8.9856 8.9856 10.4322 10.4322 10.4422 10.4422 k = 0.0000 0.0000 0.8959 ( 8524 PWs) bands (ev): -36.2432 -36.2432 -36.2426 -36.2426 -10.3149 -10.3149 -10.2780 -10.2780 -10.2479 -10.2479 -10.2477 -10.2477 1.1164 1.1164 1.1250 1.1250 2.2685 2.2685 2.2890 2.2890 2.4985 2.4985 2.5041 2.5041 3.4692 3.4692 3.5669 3.5669 3.9364 3.9364 3.9366 3.9366 5.9131 5.9131 5.9244 5.9244 7.3379 7.3379 7.3492 7.3492 7.6758 7.6758 7.6790 7.6790 7.8339 7.8339 7.8380 7.8380 8.9692 8.9692 8.9812 8.9812 10.4428 10.4428 10.4478 10.4478 k = 0.0000 0.0000 0.9125 ( 8534 PWs) bands (ev): -36.2429 -36.2429 -36.2429 -36.2429 -10.2960 -10.2960 -10.2960 -10.2960 -10.2480 -10.2480 -10.2480 -10.2480 1.1195 1.1195 1.1195 1.1195 2.2774 2.2774 2.2774 2.2774 2.5008 2.5008 2.5008 2.5008 3.5179 3.5179 3.5179 3.5179 3.9362 3.9362 3.9362 3.9362 5.9204 5.9204 5.9204 5.9204 7.3440 7.3440 7.3440 7.3440 7.6780 7.6780 7.6780 7.6780 7.8366 7.8366 7.8366 7.8366 8.9757 8.9757 8.9757 8.9757 10.4480 10.4480 10.4480 10.4480 k = 0.0000 0.0000 0.9125 ( 8534 PWs) bands (ev): -36.2429 -36.2429 -36.2429 -36.2429 -10.2960 -10.2960 -10.2960 -10.2960 -10.2480 -10.2480 -10.2480 -10.2480 1.1195 1.1195 1.1195 1.1195 2.2774 2.2774 2.2774 2.2774 2.5008 2.5008 2.5008 2.5008 3.5179 3.5179 3.5179 3.5179 3.9362 3.9362 3.9362 3.9362 5.9204 5.9204 5.9204 5.9204 7.3440 7.3440 7.3440 7.3440 7.6780 7.6780 7.6780 7.6780 7.8366 7.8366 7.8366 7.8366 8.9757 8.9757 8.9757 8.9757 10.4480 10.4480 10.4480 10.4480 k =-0.0089 0.0136 0.9125 ( 8524 PWs) bands (ev): -36.2429 -36.2429 -36.2429 -36.2429 -10.2960 -10.2960 -10.2957 -10.2957 -10.2485 -10.2485 -10.2483 -10.2483 1.1211 1.1211 1.1211 1.1211 2.2769 2.2769 2.2770 2.2770 2.5022 2.5022 2.5023 2.5023 3.5184 3.5184 3.5185 3.5185 3.9362 3.9362 3.9363 3.9363 5.9190 5.9190 5.9191 5.9191 7.3428 7.3428 7.3437 7.3437 7.6771 7.6771 7.6780 7.6780 7.8348 7.8348 7.8372 7.8372 8.9750 8.9750 8.9756 8.9756 10.4455 10.4455 10.4455 10.4455 k =-0.0179 0.0273 0.9125 ( 8516 PWs) bands (ev): -36.2429 -36.2429 -36.2429 -36.2429 -10.2957 -10.2957 -10.2953 -10.2953 -10.2499 -10.2499 -10.2494 -10.2494 1.1259 1.1259 1.1260 1.1260 2.2756 2.2756 2.2759 2.2759 2.5066 2.5066 2.5066 2.5066 3.5202 3.5202 3.5204 3.5204 3.9362 3.9362 3.9363 3.9363 5.9150 5.9150 5.9152 5.9152 7.3402 7.3402 7.3420 7.3420 7.6752 7.6752 7.6771 7.6771 7.8318 7.8318 7.8367 7.8367 8.9732 8.9732 8.9744 8.9744 10.4381 10.4381 10.4382 10.4382 k =-0.0268 0.0409 0.9125 ( 8524 PWs) bands (ev): -36.2429 -36.2429 -36.2429 -36.2429 -10.2953 -10.2953 -10.2946 -10.2946 -10.2520 -10.2520 -10.2513 -10.2513 1.1341 1.1341 1.1341 1.1341 2.2737 2.2737 2.2742 2.2742 2.5137 2.5137 2.5138 2.5138 3.5233 3.5233 3.5236 3.5236 3.9362 3.9362 3.9364 3.9364 5.9083 5.9083 5.9086 5.9086 7.3362 7.3362 7.3389 7.3389 7.6725 7.6725 7.6753 7.6753 7.8277 7.8277 7.8350 7.8350 8.9705 8.9705 8.9723 8.9723 10.4259 10.4259 10.4260 10.4260 k =-0.0358 0.0546 0.9125 ( 8514 PWs) bands (ev): -36.2429 -36.2429 -36.2429 -36.2429 -10.2948 -10.2948 -10.2937 -10.2937 -10.2548 -10.2548 -10.2538 -10.2538 1.1454 1.1454 1.1455 1.1455 2.2713 2.2713 2.2719 2.2719 2.5233 2.5233 2.5235 2.5235 3.5276 3.5276 3.5279 3.5279 3.9363 3.9363 3.9364 3.9364 5.8990 5.8990 5.8994 5.8994 7.3307 7.3307 7.3343 7.3343 7.6689 7.6689 7.6726 7.6726 7.8224 7.8224 7.8322 7.8322 8.9669 8.9669 8.9693 8.9693 10.4089 10.4089 10.4089 10.4089 k =-0.0447 0.0682 0.9125 ( 8518 PWs) bands (ev): -36.2429 -36.2429 -36.2429 -36.2429 -10.2943 -10.2943 -10.2929 -10.2929 -10.2582 -10.2582 -10.2568 -10.2568 1.1599 1.1599 1.1600 1.1600 2.2687 2.2687 2.2694 2.2694 2.5354 2.5354 2.5356 2.5356 3.5331 3.5331 3.5335 3.5335 3.9364 3.9364 3.9366 3.9366 5.8872 5.8872 5.8877 5.8877 7.3239 7.3239 7.3283 7.3283 7.6643 7.6643 7.6691 7.6691 7.8160 7.8160 7.8283 7.8283 8.9623 8.9623 8.9653 8.9653 10.3871 10.3871 10.3872 10.3872 k =-0.0536 0.0819 0.9125 ( 8530 PWs) bands (ev): -36.2429 -36.2429 -36.2429 -36.2429 -10.2941 -10.2941 -10.2922 -10.2922 -10.2620 -10.2620 -10.2601 -10.2601 1.1774 1.1774 1.1776 1.1776 2.2660 2.2660 2.2668 2.2668 2.5497 2.5497 2.5499 2.5499 3.5398 3.5398 3.5403 3.5403 3.9365 3.9365 3.9368 3.9368 5.8729 5.8729 5.8735 5.8735 7.3156 7.3156 7.3209 7.3209 7.6588 7.6588 7.6648 7.6648 7.8085 7.8085 7.8233 7.8233 8.9568 8.9568 8.9603 8.9603 10.3608 10.3608 10.3609 10.3609 k =-0.0626 0.0955 0.9125 ( 8522 PWs) bands (ev): -36.2429 -36.2429 -36.2429 -36.2429 -10.2947 -10.2947 -10.2922 -10.2922 -10.2656 -10.2656 -10.2632 -10.2632 1.1980 1.1980 1.1982 1.1982 2.2633 2.2633 2.2643 2.2643 2.5659 2.5659 2.5661 2.5661 3.5478 3.5478 3.5483 3.5483 3.9367 3.9367 3.9371 3.9371 5.8563 5.8563 5.8570 5.8570 7.3060 7.3060 7.3120 7.3120 7.6523 7.6523 7.6595 7.6595 7.7999 7.7999 7.8173 7.8173 8.9504 8.9504 8.9545 8.9545 10.3301 10.3301 10.3302 10.3302 k =-0.0715 0.1092 0.9125 ( 8522 PWs) bands (ev): -36.2430 -36.2430 -36.2430 -36.2430 -10.2966 -10.2966 -10.2938 -10.2938 -10.2682 -10.2682 -10.2654 -10.2654 1.2216 1.2216 1.2218 1.2218 2.2610 2.2610 2.2621 2.2621 2.5840 2.5840 2.5842 2.5842 3.5569 3.5569 3.5574 3.5574 3.9371 3.9371 3.9376 3.9376 5.8374 5.8374 5.8382 5.8382 7.2949 7.2949 7.3017 7.3017 7.6448 7.6448 7.6534 7.6534 7.7903 7.7903 7.8103 7.8103 8.9431 8.9431 8.9477 8.9477 10.2951 10.2951 10.2953 10.2953 k =-0.0804 0.1228 0.9125 ( 8534 PWs) bands (ev): -36.2430 -36.2430 -36.2430 -36.2430 -10.3004 -10.3004 -10.2975 -10.2975 -10.2690 -10.2690 -10.2662 -10.2662 1.2480 1.2480 1.2482 1.2482 2.2590 2.2590 2.2602 2.2602 2.6037 2.6037 2.6039 2.6039 3.5673 3.5673 3.5677 3.5677 3.9376 3.9376 3.9382 3.9382 5.8164 5.8164 5.8173 5.8173 7.2825 7.2825 7.2899 7.2899 7.6364 7.6364 7.6465 7.6465 7.7797 7.7797 7.8024 7.8024 8.9349 8.9349 8.9400 8.9400 10.2560 10.2560 10.2562 10.2562 k =-0.0894 0.1365 0.9125 ( 8528 PWs) bands (ev): -36.2430 -36.2430 -36.2430 -36.2430 -10.3061 -10.3061 -10.3035 -10.3035 -10.2680 -10.2680 -10.2655 -10.2655 1.2771 1.2771 1.2774 1.2774 2.2576 2.2576 2.2589 2.2589 2.6250 2.6250 2.6253 2.6253 3.5788 3.5788 3.5792 3.5792 3.9382 3.9382 3.9390 3.9390 5.7934 5.7934 5.7944 5.7944 7.2687 7.2687 7.2768 7.2768 7.6269 7.6269 7.6386 7.6386 7.7682 7.7682 7.7936 7.7936 8.9258 8.9258 8.9314 8.9314 10.2130 10.2130 10.2132 10.2132 k =-0.0983 0.1501 0.9125 ( 8524 PWs) bands (ev): -36.2430 -36.2430 -36.2430 -36.2430 -10.3135 -10.3135 -10.3113 -10.3113 -10.2658 -10.2658 -10.2636 -10.2636 1.3088 1.3088 1.3091 1.3091 2.2568 2.2568 2.2583 2.2583 2.6478 2.6478 2.6480 2.6480 3.5914 3.5914 3.5918 3.5918 3.9391 3.9391 3.9401 3.9401 5.7686 5.7686 5.7697 5.7697 7.2536 7.2536 7.2622 7.2622 7.6164 7.6164 7.6298 7.6298 7.7559 7.7559 7.7840 7.7840 8.9159 8.9159 8.9220 8.9220 10.1664 10.1664 10.1666 10.1666 k =-0.1073 0.1638 0.9125 ( 8532 PWs) bands (ev): -36.2430 -36.2430 -36.2430 -36.2430 -10.3222 -10.3222 -10.3203 -10.3203 -10.2627 -10.2627 -10.2608 -10.2608 1.3429 1.3429 1.3433 1.3433 2.2567 2.2567 2.2583 2.2583 2.6719 2.6719 2.6722 2.6722 3.6052 3.6052 3.6055 3.6055 3.9403 3.9403 3.9415 3.9415 5.7421 5.7421 5.7433 5.7433 7.2372 7.2372 7.2463 7.2463 7.6049 7.6049 7.6200 7.6200 7.7428 7.7428 7.7737 7.7737 8.9051 8.9051 8.9116 8.9116 10.1162 10.1162 10.1164 10.1164 k =-0.1073 0.1638 0.9125 ( 8532 PWs) bands (ev): -36.2430 -36.2430 -36.2430 -36.2430 -10.3222 -10.3222 -10.3203 -10.3203 -10.2627 -10.2627 -10.2608 -10.2608 1.3429 1.3429 1.3433 1.3433 2.2567 2.2567 2.2583 2.2583 2.6719 2.6719 2.6722 2.6722 3.6052 3.6052 3.6055 3.6055 3.9403 3.9403 3.9415 3.9415 5.7421 5.7421 5.7433 5.7433 7.2372 7.2372 7.2463 7.2463 7.6049 7.6049 7.6200 7.6200 7.7428 7.7428 7.7737 7.7737 8.9051 8.9051 8.9116 8.9116 10.1162 10.1162 10.1164 10.1164 k =-0.1136 0.1734 0.9010 ( 8536 PWs) bands (ev): -36.2433 -36.2433 -36.2429 -36.2429 -10.3321 -10.3321 -10.3252 -10.3252 -10.2677 -10.2677 -10.2500 -10.2500 1.3687 1.3687 1.3692 1.3692 2.2553 2.2553 2.2618 2.2618 2.6809 2.6809 2.7000 2.7000 3.5832 3.5832 3.6483 3.6483 3.9413 3.9413 3.9431 3.9431 5.7213 5.7213 5.7233 5.7233 7.2188 7.2188 7.2397 7.2397 7.5956 7.5956 7.6126 7.6126 7.7330 7.7330 7.7659 7.7659 8.8948 8.8948 8.9051 8.9051 10.0771 10.0771 10.0783 10.0783 k =-0.1199 0.1831 0.8894 ( 8534 PWs) bands (ev): -36.2435 -36.2435 -36.2427 -36.2427 -10.3434 -10.3434 -10.3308 -10.3308 -10.2731 -10.2731 -10.2373 -10.2373 1.3956 1.3956 1.3974 1.3974 2.2549 2.2549 2.2672 2.2672 2.6903 2.6903 2.7307 2.7307 3.5620 3.5620 3.6911 3.6911 3.9427 3.9427 3.9455 3.9455 5.6987 5.6987 5.7008 5.7008 7.1954 7.1954 7.2357 7.2357 7.5848 7.5848 7.6050 7.6050 7.7226 7.7226 7.7578 7.7578 8.8818 8.8818 8.8988 8.8988 10.0341 10.0341 10.0372 10.0372 k =-0.1263 0.1928 0.8778 ( 8530 PWs) bands (ev): -36.2437 -36.2437 -36.2425 -36.2425 -10.3554 -10.3554 -10.3372 -10.3372 -10.2780 -10.2780 -10.2244 -10.2244 1.4228 1.4228 1.4281 1.4281 2.2561 2.2561 2.2743 2.2743 2.7004 2.7004 2.7640 2.7640 3.5418 3.5418 3.7332 3.7332 3.9449 3.9449 3.9487 3.9487 5.6744 5.6744 5.6758 5.6758 7.1695 7.1695 7.2321 7.2321 7.5727 7.5727 7.5971 7.5971 7.7118 7.7118 7.7495 7.7495 8.8672 8.8672 8.8912 8.8912 9.9875 9.9875 9.9935 9.9935 k =-0.1326 0.2024 0.8663 ( 8536 PWs) bands (ev): -36.2439 -36.2439 -36.2423 -36.2423 -10.3679 -10.3679 -10.3441 -10.3441 -10.2825 -10.2825 -10.2114 -10.2114 1.4501 1.4501 1.4608 1.4608 2.2588 2.2588 2.2830 2.2830 2.7110 2.7110 2.8001 2.8001 3.5228 3.5228 3.7737 3.7737 3.9482 3.9482 3.9532 3.9532 5.6472 5.6472 5.6500 5.6500 7.1415 7.1415 7.2284 7.2284 7.5594 7.5594 7.5887 7.5887 7.7010 7.7010 7.7411 7.7411 8.8509 8.8509 8.8820 8.8820 9.9377 9.9377 9.9475 9.9475 k =-0.1389 0.2121 0.8547 ( 8546 PWs) bands (ev): -36.2442 -36.2442 -36.2422 -36.2422 -10.3807 -10.3807 -10.3513 -10.3513 -10.2866 -10.2866 -10.1986 -10.1986 1.4771 1.4771 1.4955 1.4955 2.2630 2.2630 2.2935 2.2935 2.7225 2.7225 2.8388 2.8388 3.5051 3.5051 3.8108 3.8108 3.9525 3.9525 3.9608 3.9608 5.6169 5.6169 5.6238 5.6238 7.1115 7.1115 7.2247 7.2247 7.5450 7.5450 7.5797 7.5797 7.6903 7.6903 7.7325 7.7325 8.8328 8.8328 8.8710 8.8710 9.8852 9.8852 9.8997 9.8997 k =-0.1453 0.2218 0.8432 ( 8546 PWs) bands (ev): -36.2444 -36.2444 -36.2420 -36.2420 -10.3937 -10.3937 -10.3587 -10.3587 -10.2904 -10.2904 -10.1861 -10.1861 1.5034 1.5034 1.5318 1.5318 2.2687 2.2687 2.3059 2.3059 2.7347 2.7347 2.8800 2.8800 3.4887 3.4887 3.8415 3.8415 3.9570 3.9570 3.9751 3.9751 5.5840 5.5840 5.5969 5.5969 7.0796 7.0796 7.2209 7.2209 7.5298 7.5298 7.5698 7.5698 7.6799 7.6799 7.7240 7.7240 8.8128 8.8128 8.8578 8.8578 9.8305 9.8305 9.8507 9.8507 k =-0.1516 0.2314 0.8316 ( 8545 PWs) bands (ev): -36.2446 -36.2446 -36.2419 -36.2419 -10.4069 -10.4069 -10.3663 -10.3663 -10.2939 -10.2939 -10.1738 -10.1738 1.5288 1.5288 1.5695 1.5695 2.2757 2.2757 2.3203 2.3203 2.7478 2.7478 2.9236 2.9236 3.4740 3.4740 3.8630 3.8630 3.9617 3.9617 3.9988 3.9988 5.5490 5.5490 5.5694 5.5694 7.0460 7.0460 7.2171 7.2171 7.5140 7.5140 7.5591 7.5591 7.6700 7.6700 7.7156 7.7156 8.7905 8.7905 8.8422 8.8422 9.7743 9.7743 9.8011 9.8011 k =-0.1579 0.2411 0.8200 ( 8545 PWs) bands (ev): -36.2448 -36.2448 -36.2417 -36.2417 -10.4202 -10.4202 -10.3740 -10.3740 -10.2971 -10.2971 -10.1619 -10.1619 1.5529 1.5529 1.6083 1.6083 2.2841 2.2841 2.3368 2.3368 2.7619 2.7619 2.9693 2.9693 3.4612 3.4612 3.8752 3.8752 3.9666 3.9666 4.0318 4.0318 5.5118 5.5118 5.5414 5.5414 7.0108 7.0108 7.2133 7.2133 7.4975 7.4975 7.5474 7.5474 7.6606 7.6606 7.7075 7.7075 8.7655 8.7655 8.8237 8.8237 9.7171 9.7171 9.7514 9.7514 k =-0.1643 0.2508 0.8085 ( 8548 PWs) bands (ev): -36.2450 -36.2450 -36.2416 -36.2416 -10.4335 -10.4335 -10.3817 -10.3817 -10.3001 -10.3001 -10.1504 -10.1504 1.5755 1.5755 1.6479 1.6479 2.2936 2.2936 2.3554 2.3554 2.7770 2.7770 3.0166 3.0166 3.4507 3.4507 3.8808 3.8808 3.9717 3.9717 4.0713 4.0713 5.4727 5.4727 5.5132 5.5132 6.9741 6.9741 7.2096 7.2096 7.4806 7.4806 7.5349 7.5349 7.6518 7.6518 7.6998 7.6998 8.7377 8.7377 8.8021 8.8021 9.6597 9.6597 9.7025 9.7025 k =-0.1706 0.2605 0.7969 ( 8554 PWs) bands (ev): -36.2452 -36.2452 -36.2414 -36.2414 -10.4468 -10.4468 -10.3894 -10.3894 -10.3029 -10.3029 -10.1393 -10.1393 1.5963 1.5963 1.6880 1.6880 2.3043 2.3043 2.3760 2.3760 2.7933 2.7933 3.0646 3.0646 3.4432 3.4432 3.8824 3.8824 3.9770 3.9770 4.1146 4.1146 5.4320 5.4320 5.4849 5.4849 6.9362 6.9362 7.2058 7.2058 7.4634 7.4634 7.5216 7.5216 7.6433 7.6433 7.6925 7.6925 8.7064 8.7064 8.7770 8.7770 9.6028 9.6028 9.6549 9.6549 k =-0.1769 0.2701 0.7854 ( 8552 PWs) bands (ev): -36.2454 -36.2454 -36.2413 -36.2413 -10.4598 -10.4598 -10.3971 -10.3971 -10.3055 -10.3055 -10.1286 -10.1286 1.6153 1.6153 1.7281 1.7281 2.3161 2.3161 2.3984 2.3984 2.8107 2.8107 3.1124 3.1124 3.4398 3.4398 3.8813 3.8813 3.9825 3.9825 4.1601 4.1601 5.3899 5.3899 5.4568 5.4568 6.8971 6.8971 7.2020 7.2020 7.4459 7.4459 7.5079 7.5079 7.6351 7.6351 7.6857 7.6857 8.6715 8.6715 8.7481 8.7481 9.5474 9.5474 9.6095 9.6095 k =-0.1833 0.2798 0.7738 ( 8552 PWs) bands (ev): -36.2455 -36.2455 -36.2412 -36.2412 -10.4727 -10.4727 -10.4046 -10.4046 -10.3079 -10.3079 -10.1183 -10.1183 1.6325 1.6325 1.7680 1.7680 2.3289 2.3289 2.4226 2.4226 2.8293 2.8293 3.1579 3.1579 3.4422 3.4422 3.8786 3.8786 3.9882 3.9882 4.2067 4.2067 5.3465 5.3465 5.4290 5.4290 6.8572 6.8572 7.1983 7.1983 7.4284 7.4284 7.4938 7.4938 7.6271 7.6271 7.6795 7.6795 8.6324 8.6324 8.7152 8.7152 9.4940 9.4940 9.5667 9.5667 k =-0.1896 0.2895 0.7622 ( 8548 PWs) bands (ev): -36.2457 -36.2457 -36.2411 -36.2411 -10.4853 -10.4853 -10.4121 -10.4121 -10.3102 -10.3102 -10.1084 -10.1084 1.6477 1.6477 1.8072 1.8072 2.3426 2.3426 2.4482 2.4482 2.8491 2.8491 3.1985 3.1985 3.4527 3.4527 3.8746 3.8746 3.9942 3.9942 4.2539 4.2539 5.3022 5.3022 5.4017 5.4017 6.8166 6.8166 7.1946 7.1946 7.4108 7.4108 7.4796 7.4796 7.6193 7.6193 7.6739 7.6739 8.5889 8.5889 8.6781 8.6781 9.4436 9.4436 9.5270 9.5270 k =-0.1959 0.2991 0.7507 ( 8544 PWs) bands (ev): -36.2459 -36.2459 -36.2409 -36.2409 -10.4976 -10.4976 -10.4194 -10.4194 -10.3122 -10.3122 -10.0991 -10.0991 1.6612 1.6612 1.8455 1.8455 2.3571 2.3571 2.4749 2.4749 2.8701 2.8701 3.2313 3.2313 3.4740 3.4740 3.8696 3.8696 4.0005 4.0005 4.3014 4.3014 5.2573 5.2573 5.3751 5.3751 6.7756 6.7756 7.1910 7.1910 7.3933 7.3933 7.4655 7.4655 7.6115 7.6115 7.6687 7.6687 8.5411 8.5411 8.6371 8.6371 9.3966 9.3966 9.4910 9.4910 k =-0.2023 0.3088 0.7391 ( 8556 PWs) bands (ev): -36.2461 -36.2461 -36.2408 -36.2408 -10.5094 -10.5094 -10.4265 -10.4265 -10.3141 -10.3141 -10.0901 -10.0901 1.6729 1.6729 1.8824 1.8824 2.3723 2.3723 2.5025 2.5025 2.8922 2.8922 3.2550 3.2550 3.5069 3.5069 3.8639 3.8639 4.0071 4.0071 4.3487 4.3487 5.2120 5.2120 5.3492 5.3492 6.7343 6.7343 7.1874 7.1874 7.3759 7.3759 7.4517 7.4517 7.6039 7.6039 7.6640 7.6640 8.4888 8.4888 8.5923 8.5923 9.3534 9.3534 9.4586 9.4586 k =-0.2086 0.3185 0.7275 ( 8558 PWs) bands (ev): -36.2462 -36.2462 -36.2407 -36.2407 -10.5208 -10.5208 -10.4334 -10.4334 -10.3159 -10.3159 -10.0817 -10.0817 1.6830 1.6830 1.9176 1.9176 2.3883 2.3883 2.5305 2.5305 2.9153 2.9153 3.2707 3.2707 3.5498 3.5498 3.8577 3.8577 4.0144 4.0144 4.3956 4.3956 5.1666 5.1666 5.3244 5.3244 6.6930 6.6930 7.1838 7.1838 7.3588 7.3588 7.4384 7.4384 7.5965 7.5965 7.6596 7.6596 8.4326 8.4326 8.5443 8.5443 9.3143 9.3143 9.4299 9.4299 k =-0.2149 0.3282 0.7160 ( 8554 PWs) bands (ev): -36.2464 -36.2464 -36.2406 -36.2406 -10.5318 -10.5318 -10.4400 -10.4400 -10.3175 -10.3175 -10.0738 -10.0738 1.6917 1.6917 1.9509 1.9509 2.4047 2.4047 2.5586 2.5586 2.9392 2.9392 3.2810 3.2810 3.5992 3.5992 3.8511 3.8511 4.0226 4.0226 4.4419 4.4419 5.1215 5.1215 5.3006 5.3006 6.6520 6.6520 7.1804 7.1804 7.3419 7.3419 7.4257 7.4257 7.5893 7.5893 7.6554 7.6554 8.3730 8.3730 8.4938 8.4938 9.2794 9.2794 9.4048 9.4048 k =-0.2213 0.3378 0.7044 ( 8558 PWs) bands (ev): -36.2465 -36.2465 -36.2406 -36.2406 -10.5422 -10.5422 -10.4463 -10.4463 -10.3189 -10.3189 -10.0663 -10.0663 1.6991 1.6991 1.9821 1.9821 2.4216 2.4216 2.5863 2.5863 2.9636 2.9636 3.2884 3.2884 3.6514 3.6514 3.8444 3.8444 4.0324 4.0324 4.4872 4.4872 5.0770 5.0770 5.2781 5.2781 6.6116 6.6116 7.1770 7.1770 7.3255 7.3255 7.4138 7.4138 7.5824 7.5824 7.6513 7.6513 8.3107 8.3107 8.4415 8.4415 9.2485 9.2485 9.3831 9.3831 k =-0.2276 0.3475 0.6929 ( 8564 PWs) bands (ev): -36.2466 -36.2466 -36.2405 -36.2405 -10.5520 -10.5520 -10.4522 -10.4522 -10.3203 -10.3203 -10.0594 -10.0594 1.7054 1.7054 2.0108 2.0108 2.4387 2.4387 2.6133 2.6133 2.9882 2.9882 3.2947 3.2947 3.7032 3.7032 3.8376 3.8376 4.0446 4.0446 4.5313 4.5313 5.0334 5.0334 5.2570 5.2570 6.5721 6.5721 7.1737 7.1737 7.3094 7.3094 7.4028 7.4028 7.5759 7.5759 7.6471 7.6471 8.2466 8.2466 8.3883 8.3883 9.2213 9.2213 9.3644 9.3644 k =-0.2340 0.3572 0.6813 ( 8558 PWs) bands (ev): -36.2467 -36.2467 -36.2404 -36.2404 -10.5611 -10.5611 -10.4578 -10.4578 -10.3215 -10.3215 -10.0530 -10.0530 1.7106 1.7106 2.0371 2.0371 2.4559 2.4559 2.6392 2.6392 3.0126 3.0126 3.3010 3.3010 3.7517 3.7517 3.8311 3.8311 4.0607 4.0607 4.5738 4.5738 4.9910 4.9910 5.2373 5.2373 6.5338 6.5338 7.1705 7.1705 7.2938 7.2938 7.3929 7.3929 7.5698 7.5698 7.6428 7.6428 8.1819 8.1819 8.3352 8.3352 9.1976 9.1976 9.3484 9.3484 k =-0.2403 0.3668 0.6697 ( 8548 PWs) bands (ev): -36.2469 -36.2469 -36.2403 -36.2403 -10.5697 -10.5697 -10.4630 -10.4630 -10.3225 -10.3225 -10.0471 -10.0471 1.7150 1.7150 2.0608 2.0608 2.4729 2.4729 2.6636 2.6636 3.0364 3.0364 3.3078 3.3078 3.7938 3.7938 3.8251 3.8251 4.0821 4.0821 4.6144 4.6144 4.9502 4.9502 5.2191 5.2191 6.4969 6.4969 7.1675 7.1675 7.2788 7.2788 7.3841 7.3841 7.5641 7.5641 7.6382 7.6382 8.1176 8.1176 8.2831 8.2831 9.1771 9.1771 9.3349 9.3349 k =-0.2466 0.3765 0.6582 ( 8549 PWs) bands (ev): -36.2470 -36.2470 -36.2403 -36.2403 -10.5775 -10.5775 -10.4678 -10.4678 -10.3235 -10.3235 -10.0417 -10.0417 1.7186 1.7186 2.0819 2.0819 2.4896 2.4896 2.6862 2.6862 3.0590 3.0590 3.3154 3.3154 3.8188 3.8188 3.8283 3.8283 4.1099 4.1099 4.6527 4.6527 4.9114 4.9114 5.2026 5.2026 6.4620 6.4620 7.1646 7.1646 7.2643 7.2643 7.3765 7.3765 7.5588 7.5588 7.6334 7.6334 8.0548 8.0548 8.2331 8.2331 9.1594 9.1594 9.3234 9.3234 k =-0.2530 0.3862 0.6466 ( 8555 PWs) bands (ev): -36.2470 -36.2470 -36.2402 -36.2402 -10.5845 -10.5845 -10.4722 -10.4722 -10.3244 -10.3244 -10.0369 -10.0369 1.7216 1.7216 2.1005 2.1005 2.5057 2.5057 2.7067 2.7067 3.0802 3.0802 3.3239 3.3239 3.8146 3.8146 3.8522 3.8522 4.1441 4.1441 4.6883 4.6883 4.8748 4.8748 5.1878 5.1878 6.4293 6.4293 7.1620 7.1620 7.2504 7.2504 7.3702 7.3702 7.5541 7.5541 7.6283 7.6283 7.9946 7.9946 8.1859 8.1859 9.1443 9.1443 9.3138 9.3138 k =-0.2593 0.3959 0.6351 ( 8546 PWs) bands (ev): -36.2471 -36.2471 -36.2402 -36.2402 -10.5908 -10.5908 -10.4761 -10.4761 -10.3251 -10.3251 -10.0326 -10.0326 1.7240 1.7240 2.1166 2.1166 2.5208 2.5208 2.7250 2.7250 3.0995 3.0995 3.3332 3.3332 3.8108 3.8108 3.8681 3.8681 4.1827 4.1827 4.7207 4.7207 4.8408 4.8408 5.1748 5.1748 6.3993 6.3993 7.1595 7.1595 7.2373 7.2373 7.3653 7.3653 7.5498 7.5498 7.6229 7.6229 7.9383 7.9383 8.1426 8.1426 9.1315 9.1315 9.3058 9.3058 k =-0.2656 0.4055 0.6235 ( 8543 PWs) bands (ev): -36.2472 -36.2472 -36.2401 -36.2401 -10.5964 -10.5964 -10.4795 -10.4795 -10.3257 -10.3257 -10.0289 -10.0289 1.7259 1.7259 2.1303 2.1303 2.5348 2.5348 2.7408 2.7408 3.1165 3.1165 3.3430 3.3430 3.8079 3.8079 3.8774 3.8774 4.2232 4.2232 4.7492 4.7492 4.8102 4.8102 5.1636 5.1636 6.3722 6.3722 7.1574 7.1574 7.2251 7.2251 7.3616 7.3616 7.5460 7.5460 7.6176 7.6176 7.8867 7.8867 8.1038 8.1038 9.1207 9.1207 9.2992 9.2992 k =-0.2720 0.4152 0.6119 ( 8550 PWs) bands (ev): -36.2473 -36.2473 -36.2401 -36.2401 -10.6011 -10.6011 -10.4825 -10.4825 -10.3263 -10.3263 -10.0258 -10.0258 1.7275 1.7275 2.1416 2.1416 2.5472 2.5472 2.7542 2.7542 3.1310 3.1310 3.3528 3.3528 3.8058 3.8058 3.8821 3.8821 4.2629 4.2629 4.7692 4.7692 4.7874 4.7874 5.1542 5.1542 6.3486 6.3486 7.1556 7.1556 7.2139 7.2139 7.3590 7.3590 7.5425 7.5425 7.6124 7.6124 7.8408 7.8408 8.0702 8.0702 9.1119 9.1119 9.2939 9.2939 k =-0.2783 0.4249 0.6004 ( 8556 PWs) bands (ev): -36.2473 -36.2473 -36.2401 -36.2401 -10.6050 -10.6050 -10.4849 -10.4849 -10.3267 -10.3267 -10.0232 -10.0232 1.7286 1.7286 2.1508 2.1508 2.5579 2.5579 2.7651 2.7651 3.1429 3.1429 3.3621 3.3621 3.8044 3.8044 3.8838 3.8838 4.2995 4.2995 4.7543 4.7543 4.7988 4.7988 5.1467 5.1467 6.3286 6.3286 7.1542 7.1542 7.2039 7.2039 7.3575 7.3575 7.5393 7.5393 7.6079 7.6079 7.8016 7.8016 8.0423 8.0423 9.1049 9.1049 9.2897 9.2897 k =-0.2846 0.4345 0.5888 ( 8554 PWs) bands (ev): -36.2473 -36.2473 -36.2400 -36.2400 -10.6080 -10.6080 -10.4868 -10.4868 -10.3270 -10.3270 -10.0212 -10.0212 1.7295 1.7295 2.1578 2.1578 2.5665 2.5665 2.7735 2.7735 3.1521 3.1521 3.3702 3.3702 3.8037 3.8037 3.8838 3.8838 4.3308 4.3308 4.7346 4.7346 4.8147 4.8147 5.1410 5.1410 6.3127 6.3127 7.1531 7.1531 7.1956 7.1956 7.3569 7.3569 7.5365 7.5365 7.6044 7.6044 7.7698 7.7698 8.0205 8.0205 9.0996 9.0996 9.2866 9.2866 k =-0.2910 0.4442 0.5773 ( 8567 PWs) bands (ev): -36.2474 -36.2474 -36.2400 -36.2400 -10.6102 -10.6102 -10.4881 -10.4881 -10.3273 -10.3273 -10.0198 -10.0198 1.7301 1.7301 2.1628 2.1628 2.5728 2.5728 2.7794 2.7794 3.1586 3.1586 3.3765 3.3765 3.8033 3.8033 3.8831 3.8831 4.3551 4.3551 4.7191 4.7191 4.8265 4.8265 5.1370 5.1370 6.3012 6.3012 7.1525 7.1525 7.1893 7.1893 7.3567 7.3567 7.5341 7.5341 7.6022 7.6022 7.7462 7.7462 8.0048 8.0048 9.0958 9.0958 9.2844 9.2844 k =-0.2973 0.4539 0.5657 ( 8558 PWs) bands (ev): -36.2474 -36.2474 -36.2400 -36.2400 -10.6115 -10.6115 -10.4889 -10.4889 -10.3274 -10.3274 -10.0189 -10.0189 1.7305 1.7305 2.1657 2.1657 2.5767 2.5767 2.7830 2.7830 3.1625 3.1625 3.3806 3.3806 3.8031 3.8031 3.8823 3.8823 4.3705 4.3705 4.7092 4.7092 4.8337 4.8337 5.1346 5.1346 6.2941 6.2941 7.1522 7.1522 7.1853 7.1853 7.3567 7.3567 7.5326 7.5326 7.6011 7.6011 7.7315 7.7315 7.9954 7.9954 9.0936 9.0936 9.2831 9.2831 k =-0.3036 0.4635 0.5541 ( 8566 PWs) bands (ev): -36.2474 -36.2474 -36.2400 -36.2400 -10.6119 -10.6119 -10.4892 -10.4892 -10.3275 -10.3275 -10.0186 -10.0186 1.7306 1.7306 2.1667 2.1667 2.5780 2.5780 2.7842 2.7842 3.1638 3.1638 3.3819 3.3819 3.8031 3.8031 3.8820 3.8820 4.3758 4.3758 4.7058 4.7058 4.8361 4.8361 5.1339 5.1339 6.2918 6.2918 7.1521 7.1521 7.1839 7.1839 7.3568 7.3568 7.5320 7.5320 7.6007 7.6007 7.7265 7.7265 7.9923 7.9923 9.0928 9.0928 9.2826 9.2826 k =-0.3036 0.4635 0.5541 ( 8566 PWs) bands (ev): -36.2474 -36.2474 -36.2400 -36.2400 -10.6119 -10.6119 -10.4892 -10.4892 -10.3275 -10.3275 -10.0186 -10.0186 1.7306 1.7306 2.1667 2.1667 2.5780 2.5780 2.7842 2.7842 3.1638 3.1638 3.3819 3.3819 3.8031 3.8031 3.8820 3.8820 4.3758 4.3758 4.7058 4.7058 4.8361 4.8361 5.1339 5.1339 6.2918 6.2918 7.1521 7.1521 7.1839 7.1839 7.3568 7.3568 7.5320 7.5320 7.6007 7.6007 7.7265 7.7265 7.9923 7.9923 9.0928 9.0928 9.2826 9.2826 k =-0.2973 0.4539 0.5426 ( 8564 PWs) bands (ev): -36.2476 -36.2476 -36.2398 -36.2398 -10.6183 -10.6183 -10.4745 -10.4745 -10.3291 -10.3291 -10.0180 -10.0180 1.7199 1.7199 2.1217 2.1217 2.6136 2.6136 2.7838 2.7838 3.1689 3.1689 3.3451 3.3451 3.7622 3.7622 3.8391 3.8391 4.3948 4.3948 4.7113 4.7113 4.8505 4.8505 5.1332 5.1332 6.2995 6.2995 7.1567 7.1567 7.2046 7.2046 7.3717 7.3717 7.5395 7.5395 7.6085 7.6085 7.7370 7.7370 7.9991 7.9991 9.1089 9.1089 9.3111 9.3111 k =-0.2910 0.4442 0.5310 ( 8564 PWs) bands (ev): -36.2478 -36.2478 -36.2396 -36.2396 -10.6274 -10.6274 -10.4597 -10.4597 -10.3284 -10.3284 -10.0176 -10.0176 1.7110 1.7110 2.0798 2.0798 2.6503 2.6503 2.7827 2.7827 3.1754 3.1754 3.3111 3.3111 3.7218 3.7218 3.7969 3.7969 4.4145 4.4145 4.7172 4.7172 4.8654 4.8654 5.1316 5.1316 6.3073 6.3073 7.1599 7.1599 7.2234 7.2234 7.3844 7.3844 7.5454 7.5454 7.6160 7.6160 7.7474 7.7474 8.0052 8.0052 9.1217 9.1217 9.3360 9.3360 k =-0.2847 0.4346 0.5195 ( 8558 PWs) bands (ev): -36.2480 -36.2480 -36.2393 -36.2393 -10.6390 -10.6390 -10.4451 -10.4451 -10.3255 -10.3255 -10.0173 -10.0173 1.7038 1.7038 2.0412 2.0412 2.6880 2.6880 2.7803 2.7803 3.1832 3.1832 3.2806 3.2806 3.6821 3.6821 3.7555 3.7555 4.4349 4.4349 4.7236 4.7236 4.8809 4.8809 5.1288 5.1288 6.3153 6.3153 7.1619 7.1619 7.2403 7.2403 7.3949 7.3949 7.5495 7.5495 7.6233 7.6233 7.7575 7.7575 8.0104 8.0104 9.1314 9.1314 9.3572 9.3572 k =-0.2783 0.4249 0.5080 ( 8562 PWs) bands (ev): -36.2482 -36.2482 -36.2391 -36.2391 -10.6529 -10.6529 -10.4306 -10.4306 -10.3207 -10.3207 -10.0172 -10.0172 1.6986 1.6986 2.0059 2.0059 2.7268 2.7268 2.7761 2.7761 3.1923 3.1923 3.2543 3.2543 3.6430 3.6430 3.7149 3.7149 4.4560 4.4560 4.7303 4.7303 4.8970 4.8970 5.1250 5.1250 6.3233 6.3233 7.1630 7.1630 7.2552 7.2552 7.4032 7.4032 7.5518 7.5518 7.6299 7.6299 7.7674 7.7674 8.0148 8.0148 9.1379 9.1379 9.3748 9.3748 k =-0.2720 0.4153 0.4964 ( 8550 PWs) bands (ev): -36.2484 -36.2484 -36.2389 -36.2389 -10.6687 -10.6687 -10.4162 -10.4162 -10.3143 -10.3143 -10.0173 -10.0173 1.6955 1.6955 1.9742 1.9742 2.7647 2.7647 2.7711 2.7711 3.2026 3.2026 3.2329 3.2329 3.6045 3.6045 3.6751 3.6751 4.4778 4.4778 4.7372 4.7372 4.9135 4.9135 5.1201 5.1201 6.3314 6.3314 7.1633 7.1633 7.2682 7.2682 7.4091 7.4091 7.5525 7.5525 7.6357 7.6357 7.7768 7.7768 8.0183 8.0183 9.1413 9.1413 9.3888 9.3888 k =-0.2657 0.4056 0.4849 ( 8544 PWs) bands (ev): -36.2486 -36.2486 -36.2386 -36.2386 -10.6861 -10.6861 -10.4019 -10.4019 -10.3066 -10.3066 -10.0175 -10.0175 1.6945 1.6945 1.9460 1.9460 2.7589 2.7589 2.8078 2.8078 3.2136 3.2136 3.2175 3.2175 3.5668 3.5668 3.6361 3.6361 4.5004 4.5004 4.7442 4.7442 4.9305 4.9305 5.1142 5.1142 6.3396 6.3396 7.1629 7.1629 7.2794 7.2794 7.4128 7.4128 7.5515 7.5515 7.6405 7.6405 7.7856 7.7856 8.0209 8.0209 9.1416 9.1416 9.3991 9.3991 k =-0.2594 0.3959 0.4733 ( 8538 PWs) bands (ev): -36.2488 -36.2488 -36.2384 -36.2384 -10.7048 -10.7048 -10.3879 -10.3879 -10.2979 -10.2979 -10.0180 -10.0180 1.6957 1.6957 1.9215 1.9215 2.7456 2.7456 2.8495 2.8495 3.2062 3.2062 3.2274 3.2274 3.5298 3.5298 3.5980 3.5980 4.5237 4.5237 4.7513 4.7513 4.9479 4.9479 5.1072 5.1072 6.3478 6.3478 7.1618 7.1618 7.2889 7.2889 7.4142 7.4142 7.5490 7.5490 7.6439 7.6439 7.7937 7.7937 8.0226 8.0226 9.1390 9.1390 9.4058 9.4058 k =-0.2530 0.3863 0.4618 ( 8530 PWs) bands (ev): -36.2490 -36.2490 -36.2382 -36.2382 -10.7246 -10.7246 -10.3740 -10.3740 -10.2884 -10.2884 -10.0187 -10.0187 1.6992 1.6992 1.9007 1.9007 2.7287 2.7287 2.8923 2.8923 3.2017 3.2017 3.2414 3.2414 3.4936 3.4936 3.5607 3.5607 4.5477 4.5477 4.7583 4.7583 4.9654 4.9654 5.0994 5.0994 6.3560 6.3560 7.1603 7.1603 7.2967 7.2967 7.4134 7.4134 7.5450 7.5450 7.6459 7.6459 7.8010 7.8010 8.0234 8.0234 9.1334 9.1334 9.4090 9.4090 k =-0.2467 0.3766 0.4502 ( 8530 PWs) bands (ev): -36.2493 -36.2493 -36.2380 -36.2380 -10.7453 -10.7453 -10.3603 -10.3603 -10.2783 -10.2783 -10.0197 -10.0197 1.7050 1.7050 1.8836 1.8836 2.7086 2.7086 2.9361 2.9361 3.2027 3.2027 3.2568 3.2568 3.4581 3.4581 3.5243 3.5243 4.5724 4.5724 4.7653 4.7653 4.9830 4.9830 5.0910 5.0910 6.3641 6.3641 7.1583 7.1583 7.3030 7.3030 7.4104 7.4104 7.5395 7.5395 7.6462 7.6462 7.8074 7.8074 8.0233 8.0233 9.1249 9.1249 9.4085 9.4085 k =-0.2404 0.3670 0.4387 ( 8534 PWs) bands (ev): -36.2495 -36.2495 -36.2377 -36.2377 -10.7666 -10.7666 -10.3469 -10.3469 -10.2678 -10.2678 -10.0209 -10.0209 1.7131 1.7131 1.8702 1.8702 2.6857 2.6857 2.9808 2.9808 3.2089 3.2089 3.2733 3.2733 3.4235 3.4235 3.4888 3.4888 4.5978 4.5978 4.7722 4.7722 4.9998 4.9998 5.0826 5.0826 6.3722 6.3722 7.1559 7.1559 7.3076 7.3076 7.4053 7.4053 7.5324 7.5324 7.6449 7.6449 7.8128 7.8128 8.0224 8.0224 9.1136 9.1136 9.4046 9.4046 k =-0.2340 0.3573 0.4271 ( 8530 PWs) bands (ev): -36.2497 -36.2497 -36.2375 -36.2375 -10.7885 -10.7885 -10.3337 -10.3337 -10.2570 -10.2570 -10.0223 -10.0223 1.7235 1.7235 1.8605 1.8605 2.6605 2.6605 3.0264 3.0264 3.2196 3.2196 3.2910 3.2910 3.3897 3.3897 3.4541 3.4541 4.6240 4.6240 4.7790 4.7790 5.0141 5.0141 5.0760 5.0760 6.3803 6.3803 7.1530 7.1530 7.3107 7.3107 7.3982 7.3982 7.5238 7.5238 7.6419 7.6419 7.8172 7.8172 8.0206 8.0206 9.0995 9.0995 9.3972 9.3972 k =-0.2277 0.3477 0.4156 ( 8534 PWs) bands (ev): -36.2500 -36.2500 -36.2373 -36.2373 -10.8109 -10.8109 -10.3208 -10.3208 -10.2460 -10.2460 -10.0239 -10.0239 1.7361 1.7361 1.8546 1.8546 2.6337 2.6337 3.0728 3.0728 3.2343 3.2343 3.3097 3.3097 3.3570 3.3570 3.4204 3.4204 4.6509 4.6509 4.7856 4.7856 5.0217 5.0217 5.0755 5.0755 6.3883 6.3883 7.1499 7.1499 7.3120 7.3120 7.3893 7.3893 7.5136 7.5136 7.6371 7.6371 7.8204 7.8204 8.0180 8.0180 9.0828 9.0828 9.3864 9.3864 k =-0.2214 0.3380 0.4041 ( 8530 PWs) bands (ev): -36.2502 -36.2502 -36.2371 -36.2371 -10.8335 -10.8335 -10.3081 -10.3081 -10.2349 -10.2349 -10.0258 -10.0258 1.7509 1.7509 1.8523 1.8523 2.6059 2.6059 3.1199 3.1199 3.2524 3.2524 3.3218 3.3218 3.3330 3.3330 3.3876 3.3876 4.6785 4.6785 4.7922 4.7922 5.0188 5.0188 5.0850 5.0850 6.3962 6.3962 7.1463 7.1463 7.3112 7.3112 7.3792 7.3792 7.5019 7.5019 7.6305 7.6305 7.8225 7.8225 8.0146 8.0146 9.0635 9.0635 9.3722 9.3722 k =-0.2151 0.3283 0.3925 ( 8522 PWs) bands (ev): -36.2504 -36.2504 -36.2369 -36.2369 -10.8563 -10.8563 -10.2958 -10.2958 -10.2238 -10.2238 -10.0279 -10.0279 1.7678 1.7678 1.8536 1.8536 2.5774 2.5774 3.1674 3.1674 3.2735 3.2735 3.2935 3.2935 3.3500 3.3500 3.3578 3.3578 4.7068 4.7068 4.7988 4.7988 5.0085 5.0085 5.1013 5.1013 6.4039 6.4039 7.1425 7.1425 7.3076 7.3076 7.3685 7.3685 7.4885 7.4885 7.6222 7.6222 7.8234 7.8234 8.0106 8.0106 9.0417 9.0417 9.3548 9.3548 k =-0.2087 0.3187 0.3810 ( 8526 PWs) bands (ev): -36.2506 -36.2506 -36.2367 -36.2367 -10.8792 -10.8792 -10.2839 -10.2839 -10.2127 -10.2127 -10.0302 -10.0302 1.7866 1.7866 1.8584 1.8584 2.5487 2.5487 3.2128 3.2128 3.2669 3.2669 3.2971 3.2971 3.3242 3.3242 3.3750 3.3750 4.7358 4.7358 4.8053 4.8053 4.9946 4.9946 5.1206 5.1206 6.4116 6.4116 7.1383 7.1383 7.3005 7.3005 7.3582 7.3582 7.4736 7.4736 7.6121 7.6121 7.8232 7.8232 8.0059 8.0059 9.0175 9.0175 9.3341 9.3341 k =-0.2024 0.3090 0.3694 ( 8526 PWs) bands (ev): -36.2509 -36.2509 -36.2365 -36.2365 -10.9021 -10.9021 -10.2723 -10.2723 -10.2017 -10.2017 -10.0326 -10.0326 1.8072 1.8072 1.8667 1.8667 2.5202 2.5202 3.2240 3.2240 3.2760 3.2760 3.2939 3.2939 3.3235 3.3235 3.3985 3.3985 4.7655 4.7655 4.8120 4.8120 4.9787 4.9787 5.1415 5.1415 6.4190 6.4190 7.1337 7.1337 7.2889 7.2889 7.3493 7.3493 7.4570 7.4570 7.6002 7.6002 7.8218 7.8218 8.0006 8.0006 8.9908 8.9908 9.3103 9.3103 k =-0.1961 0.2994 0.3579 ( 8526 PWs) bands (ev): -36.2511 -36.2511 -36.2363 -36.2363 -10.9250 -10.9250 -10.2611 -10.2611 -10.1908 -10.1908 -10.0352 -10.0352 1.8294 1.8294 1.8783 1.8783 2.4923 2.4923 3.1992 3.1992 3.2646 3.2646 3.3228 3.3228 3.3512 3.3512 3.4233 3.4233 4.7957 4.7957 4.8190 4.8190 4.9614 4.9614 5.1634 5.1634 6.4263 6.4263 7.1287 7.1287 7.2727 7.2727 7.3420 7.3420 7.4387 7.4387 7.5867 7.5867 7.8193 7.8193 7.9947 7.9947 8.9619 8.9619 9.2836 9.2836 k =-0.1898 0.2897 0.3463 ( 8514 PWs) bands (ev): -36.2513 -36.2513 -36.2361 -36.2361 -10.9478 -10.9478 -10.2503 -10.2503 -10.1801 -10.1801 -10.0379 -10.0379 1.8530 1.8530 1.8931 1.8931 2.4652 2.4652 3.1721 3.1721 3.2363 3.2363 3.3730 3.3730 3.3811 3.3811 3.4492 3.4492 4.8225 4.8225 4.8303 4.8303 4.9431 4.9431 5.1859 5.1859 6.4334 6.4334 7.1232 7.1232 7.2525 7.2525 7.3359 7.3359 7.4189 7.4189 7.5715 7.5715 7.8156 7.8156 7.9883 7.9883 8.9308 8.9308 9.2539 9.2539 k =-0.1834 0.2801 0.3348 ( 8510 PWs) bands (ev): -36.2515 -36.2515 -36.2359 -36.2359 -10.9705 -10.9705 -10.2401 -10.2401 -10.1697 -10.1697 -10.0406 -10.0406 1.8776 1.8776 1.9111 1.9111 2.4393 2.4393 3.1452 3.1452 3.2089 3.2089 3.4108 3.4108 3.4260 3.4260 3.4761 3.4761 4.8323 4.8323 4.8598 4.8598 4.9240 4.9240 5.2091 5.2091 6.4402 6.4402 7.1171 7.1171 7.2293 7.2293 7.3302 7.3302 7.3974 7.3974 7.5549 7.5549 7.8110 7.8110 7.9813 7.9813 8.8975 8.8975 9.2214 9.2214 k =-0.1771 0.2704 0.3232 ( 8519 PWs) bands (ev): -36.2518 -36.2518 -36.2358 -36.2358 -10.9929 -10.9929 -10.2304 -10.2304 -10.1594 -10.1594 -10.0433 -10.0433 1.9028 1.9028 1.9319 1.9319 2.4150 2.4150 3.1191 3.1191 3.1825 3.1825 3.4427 3.4427 3.4787 3.4787 3.5042 3.5042 4.8406 4.8406 4.8919 4.8919 4.9043 4.9043 5.2328 5.2328 6.4468 6.4468 7.1101 7.1101 7.2037 7.2037 7.3246 7.3246 7.3744 7.3744 7.5369 7.5369 7.8053 7.8053 7.9739 7.9739 8.8622 8.8622 9.1863 9.1863 k =-0.1708 0.2607 0.3117 ( 8511 PWs) bands (ev): -36.2520 -36.2520 -36.2356 -36.2356 -11.0150 -11.0150 -10.2213 -10.2213 -10.1494 -10.1494 -10.0458 -10.0458 1.9281 1.9281 1.9556 1.9556 2.3928 2.3928 3.0937 3.0937 3.1569 3.1569 3.4753 3.4753 3.5307 3.5307 3.5347 3.5347 4.8496 4.8496 4.8838 4.8838 4.9251 4.9251 5.2569 5.2569 6.4531 6.4531 7.1016 7.1016 7.1768 7.1768 7.3185 7.3185 7.3501 7.3501 7.5176 7.5176 7.7986 7.7986 7.9659 7.9659 8.8248 8.8248 9.1487 9.1487 k =-0.1645 0.2511 0.3002 ( 8515 PWs) bands (ev): -36.2522 -36.2522 -36.2354 -36.2354 -11.0368 -11.0368 -10.2128 -10.2128 -10.1396 -10.1396 -10.0483 -10.0483 1.9530 1.9530 1.9819 1.9819 2.3732 2.3732 3.0692 3.0692 3.1323 3.1323 3.5084 3.5084 3.5625 3.5625 3.5869 3.5869 4.8593 4.8593 4.8635 4.8635 4.9588 4.9588 5.2815 5.2815 6.4591 6.4591 7.0904 7.0904 7.1501 7.1501 7.3110 7.3110 7.3253 7.3253 7.4972 7.4972 7.7911 7.7911 7.9573 7.9573 8.7855 8.7855 9.1088 9.1088 k =-0.1581 0.2414 0.2886 ( 8519 PWs) bands (ev): -36.2524 -36.2524 -36.2353 -36.2353 -11.0582 -11.0582 -10.2051 -10.2051 -10.1302 -10.1302 -10.0504 -10.0504 1.9764 1.9764 2.0106 2.0106 2.3571 2.3571 3.0456 3.0456 3.1086 3.1086 3.5416 3.5416 3.5932 3.5932 3.6417 3.6417 4.8423 4.8423 4.8709 4.8709 4.9931 4.9931 5.3065 5.3065 6.4646 6.4646 7.0739 7.0739 7.1261 7.1261 7.2934 7.2934 7.3087 7.3087 7.4759 7.4759 7.7827 7.7827 7.9481 7.9481 8.7443 8.7443 9.0668 9.0668 k =-0.1518 0.2318 0.2771 ( 8529 PWs) bands (ev): -36.2527 -36.2527 -36.2351 -36.2351 -11.0792 -11.0792 -10.1983 -10.1983 -10.1210 -10.1210 -10.0521 -10.0521 1.9974 1.9974 2.0415 2.0415 2.3454 2.3454 3.0229 3.0229 3.0858 3.0858 3.5746 3.5746 3.6244 3.6244 3.6971 3.6971 4.8214 4.8214 4.8838 4.8838 5.0279 5.0279 5.3320 5.3320 6.4698 6.4698 7.0496 7.0496 7.1076 7.1076 7.2658 7.2658 7.3003 7.3003 7.4540 7.4540 7.7735 7.7735 7.9382 7.9382 8.7014 8.7014 9.0230 9.0230 k =-0.1455 0.2221 0.2655 ( 8527 PWs) bands (ev): -36.2529 -36.2529 -36.2350 -36.2350 -11.0996 -11.0996 -10.1924 -10.1924 -10.1121 -10.1121 -10.0534 -10.0534 2.0147 2.0147 2.0744 2.0744 2.3392 2.3392 3.0010 3.0010 3.0639 3.0639 3.6071 3.6071 3.6561 3.6561 3.7530 3.7530 4.8007 4.8007 4.8986 4.8986 5.0633 5.0633 5.3578 5.3578 6.4745 6.4745 7.0185 7.0185 7.0935 7.0935 7.2360 7.2360 7.2923 7.2923 7.4316 7.4316 7.7636 7.7636 7.9275 7.9275 8.6568 8.6568 8.9777 8.9777 k =-0.1392 0.2125 0.2540 ( 8523 PWs) bands (ev): -36.2531 -36.2531 -36.2348 -36.2348 -11.1196 -11.1196 -10.1875 -10.1875 -10.1036 -10.1036 -10.0541 -10.0541 2.0272 2.0272 2.1091 2.1091 2.3396 2.3396 2.9800 2.9800 3.0430 3.0430 3.6387 3.6387 3.6882 3.6882 3.8092 3.8092 4.7803 4.7803 4.9157 4.9157 5.0992 5.0992 5.3840 5.3840 6.4785 6.4785 6.9835 6.9835 7.0811 7.0811 7.2050 7.2050 7.2837 7.2837 7.4091 7.4091 7.7529 7.7529 7.9159 7.9159 8.6106 8.6106 8.9311 8.9311 k =-0.1328 0.2028 0.2424 ( 8519 PWs) bands (ev): -36.2533 -36.2533 -36.2347 -36.2347 -11.1390 -11.1390 -10.1836 -10.1836 -10.0954 -10.0954 -10.0542 -10.0542 2.0341 2.0341 2.1452 2.1452 2.3471 2.3471 2.9600 2.9600 3.0230 3.0230 3.6690 3.6690 3.7205 3.7205 3.8658 3.8658 4.7605 4.7605 4.9354 4.9354 5.1354 5.1354 5.4105 5.4105 6.4819 6.4819 6.9461 6.9461 7.0688 7.0688 7.1731 7.1731 7.2746 7.2746 7.3869 7.3869 7.7414 7.7414 7.9032 7.9032 8.5629 8.5629 8.8836 8.8836 k =-0.1265 0.1931 0.2309 ( 8525 PWs) bands (ev): -36.2535 -36.2535 -36.2345 -36.2345 -11.1577 -11.1577 -10.1808 -10.1808 -10.0875 -10.0875 -10.0535 -10.0535 2.0355 2.0355 2.1827 2.1827 2.3614 2.3614 2.9408 2.9408 3.0039 3.0039 3.6977 3.6977 3.7527 3.7527 3.9226 3.9226 4.7417 4.7417 4.9580 4.9580 5.1721 5.1721 5.4374 5.4374 6.4844 6.4844 6.9074 6.9074 7.0555 7.0555 7.1406 7.1406 7.2648 7.2648 7.3653 7.3653 7.7293 7.7293 7.8893 7.8893 8.5140 8.5140 8.8357 8.8357 k =-0.1202 0.1835 0.2193 ( 8533 PWs) bands (ev): -36.2537 -36.2537 -36.2344 -36.2344 -11.1759 -11.1759 -10.1791 -10.1791 -10.0800 -10.0800 -10.0522 -10.0522 2.0323 2.0323 2.2212 2.2212 2.3816 2.3816 2.9226 2.9226 2.9858 2.9858 3.7244 3.7244 3.7844 3.7844 3.9794 3.9794 4.7239 4.7239 4.9838 4.9838 5.2091 5.2091 5.4646 5.4646 6.4859 6.4859 6.8679 6.8679 7.0405 7.0405 7.1078 7.1078 7.2544 7.2544 7.3447 7.3447 7.7163 7.7163 7.8740 7.8740 8.4640 8.4640 8.7876 8.7876 k =-0.1139 0.1738 0.2078 ( 8529 PWs) bands (ev): -36.2539 -36.2539 -36.2343 -36.2343 -11.1933 -11.1933 -10.1783 -10.1783 -10.0729 -10.0729 -10.0501 -10.0501 2.0256 2.0256 2.2604 2.2604 2.4064 2.4064 2.9053 2.9053 2.9686 2.9686 3.7487 3.7487 3.8155 3.8155 4.0363 4.0363 4.7077 4.7077 5.0131 5.0131 5.2463 5.2463 5.4921 5.4921 6.4859 6.4859 6.8284 6.8284 7.0231 7.0231 7.0753 7.0753 7.2434 7.2434 7.3256 7.3256 7.7024 7.7024 7.8570 7.8570 8.4132 8.4132 8.7400 8.7400 k =-0.1075 0.1642 0.1963 ( 8531 PWs) bands (ev): -36.2540 -36.2540 -36.2342 -36.2342 -11.2100 -11.2100 -10.1784 -10.1784 -10.0661 -10.0661 -10.0476 -10.0476 2.0164 2.0164 2.3001 2.3001 2.4344 2.4344 2.8889 2.8889 2.9523 2.9523 3.7705 3.7705 3.8455 3.8455 4.0931 4.0931 4.6933 4.6933 5.0460 5.0460 5.2837 5.2837 5.5198 5.5198 6.4840 6.4840 6.7895 6.7895 7.0022 7.0022 7.0440 7.0440 7.2319 7.2319 7.3081 7.3081 7.6874 7.6874 7.8382 7.8382 8.3618 8.3618 8.6933 8.6933 k =-0.1012 0.1545 0.1847 ( 8531 PWs) bands (ev): -36.2542 -36.2542 -36.2341 -36.2341 -11.2259 -11.2259 -10.1793 -10.1793 -10.0596 -10.0596 -10.0445 -10.0445 2.0058 2.0058 2.3399 2.3399 2.4647 2.4647 2.8735 2.8735 2.9370 2.9370 3.7895 3.7895 3.8739 3.8739 4.1496 4.1496 4.6811 4.6811 5.0827 5.0827 5.3211 5.3211 5.5477 5.5477 6.4795 6.4795 6.7520 6.7520 6.9768 6.9768 7.0149 7.0149 7.2203 7.2203 7.2924 7.2924 7.6713 7.6713 7.8174 7.8174 8.3103 8.3103 8.6480 8.6480 k =-0.0949 0.1449 0.1732 ( 8537 PWs) bands (ev): -36.2544 -36.2544 -36.2340 -36.2340 -11.2411 -11.2411 -10.1808 -10.1808 -10.0535 -10.0535 -10.0412 -10.0412 1.9944 1.9944 2.3797 2.3797 2.4963 2.4963 2.8589 2.8589 2.9226 2.9226 3.8057 3.8057 3.9004 3.9004 4.2056 4.2056 4.6714 4.6714 5.1229 5.1229 5.3585 5.3585 5.5758 5.5758 6.4716 6.4716 6.7173 6.7173 6.9473 6.9473 6.9879 6.9879 7.2089 7.2089 7.2784 7.2784 7.6536 7.6536 7.7945 7.7945 8.2592 8.2592 8.6046 8.6046 k =-0.0886 0.1352 0.1616 ( 8539 PWs) bands (ev): -36.2545 -36.2545 -36.2339 -36.2339 -11.2554 -11.2554 -10.1827 -10.1827 -10.0479 -10.0479 -10.0376 -10.0376 1.9826 1.9826 2.4190 2.4190 2.5285 2.5285 2.8453 2.8453 2.9091 2.9091 3.8190 3.8190 3.9245 3.9245 4.2610 4.2610 4.6648 4.6648 5.1667 5.1667 5.3957 5.3957 5.6039 5.6039 6.4590 6.4590 6.6866 6.6866 6.9151 6.9151 6.9617 6.9617 7.1980 7.1980 7.2659 7.2659 7.6342 7.6342 7.7693 7.7693 8.2089 8.2089 8.5636 8.5636 k =-0.0822 0.1255 0.1501 ( 8547 PWs) bands (ev): -36.2547 -36.2547 -36.2338 -36.2338 -11.2689 -11.2689 -10.1850 -10.1850 -10.0425 -10.0425 -10.0339 -10.0339 1.9710 1.9710 2.4576 2.4576 2.5607 2.5607 2.8327 2.8327 2.8965 2.8965 3.8295 3.8295 3.9457 3.9457 4.3156 4.3156 4.6614 4.6614 5.2136 5.2136 5.4326 5.4326 5.6319 5.6319 6.4410 6.4410 6.6610 6.6610 6.8818 6.8818 6.9353 6.9353 7.1878 7.1878 7.2546 7.2546 7.6125 7.6125 7.7419 7.7419 8.1603 8.1603 8.5254 8.5254 k =-0.0759 0.1159 0.1385 ( 8547 PWs) bands (ev): -36.2548 -36.2548 -36.2337 -36.2337 -11.2815 -11.2815 -10.1874 -10.1874 -10.0376 -10.0376 -10.0301 -10.0301 1.9597 1.9597 2.4951 2.4951 2.5925 2.5925 2.8209 2.8209 2.8849 2.8849 3.8373 3.8373 3.9638 3.9638 4.3691 4.3691 4.6614 4.6614 5.2633 5.2633 5.4690 5.4690 5.6598 5.6598 6.4172 6.4172 6.6412 6.6412 6.8483 6.8483 6.9084 6.9084 7.1784 7.1784 7.2445 7.2445 7.5884 7.5884 7.7125 7.7125 8.1140 8.1140 8.4904 8.4904 k =-0.0696 0.1062 0.1270 ( 8563 PWs) bands (ev): -36.2549 -36.2549 -36.2337 -36.2337 -11.2931 -11.2931 -10.1900 -10.1900 -10.0330 -10.0330 -10.0265 -10.0265 1.9488 1.9488 2.5313 2.5313 2.6235 2.6235 2.8101 2.8101 2.8742 2.8742 3.8427 3.8427 3.9785 3.9785 4.4212 4.4212 4.6648 4.6648 5.3153 5.3153 5.5048 5.5048 5.6874 5.6874 6.3884 6.3884 6.6266 6.6266 6.8152 6.8152 6.8811 6.8811 7.1700 7.1700 7.2354 7.2354 7.5613 7.5613 7.6813 7.6813 8.0708 8.0708 8.4587 8.4587 k =-0.0633 0.0966 0.1154 ( 8567 PWs) bands (ev): -36.2551 -36.2551 -36.2336 -36.2336 -11.3039 -11.3039 -10.1926 -10.1926 -10.0289 -10.0289 -10.0230 -10.0230 1.9387 1.9387 2.5658 2.5658 2.6533 2.6533 2.8003 2.8003 2.8645 2.8645 3.8460 3.8460 3.9898 3.9898 4.4715 4.4715 4.6714 4.6714 5.3687 5.3687 5.5395 5.5395 5.7144 5.7144 6.3560 6.3560 6.6162 6.6162 6.7829 6.7829 6.8537 6.8537 7.1625 7.1625 7.2273 7.2273 7.5312 7.5312 7.6489 7.6489 8.0313 8.0313 8.4305 8.4305 k =-0.0569 0.0869 0.1039 ( 8555 PWs) bands (ev): -36.2552 -36.2552 -36.2335 -36.2335 -11.3137 -11.3137 -10.1952 -10.1952 -10.0251 -10.0251 -10.0196 -10.0196 1.9293 1.9293 2.5984 2.5984 2.6815 2.6815 2.7914 2.7914 2.8557 2.8557 3.8474 3.8474 3.9979 3.9979 4.5196 4.5196 4.6808 4.6808 5.4229 5.4229 5.5731 5.5731 5.7407 5.7407 6.3217 6.3217 6.6088 6.6088 6.7518 6.7518 6.8267 6.8267 7.1558 7.1558 7.2199 7.2199 7.4982 7.4982 7.6158 7.6158 7.9962 7.9962 8.4056 8.4056 k =-0.0506 0.0773 0.0924 ( 8553 PWs) bands (ev): -36.2552 -36.2552 -36.2335 -36.2335 -11.3225 -11.3225 -10.1976 -10.1976 -10.0217 -10.0217 -10.0166 -10.0166 1.9207 1.9207 2.6286 2.6286 2.7079 2.7079 2.7834 2.7834 2.8478 2.8478 3.8474 3.8474 4.0032 4.0032 4.5650 4.5650 4.6926 4.6926 5.4768 5.4768 5.6052 5.6052 5.7659 5.7659 6.2868 6.2868 6.6033 6.6033 6.7223 6.7223 6.8005 6.8005 7.1501 7.1501 7.2134 7.2134 7.4626 7.4626 7.5829 7.5829 7.9657 7.9657 8.3842 8.3842 k =-0.0443 0.0676 0.0808 ( 8561 PWs) bands (ev): -36.2553 -36.2553 -36.2334 -36.2334 -11.3303 -11.3303 -10.1999 -10.1999 -10.0187 -10.0187 -10.0138 -10.0138 1.9130 1.9130 2.6561 2.6561 2.7321 2.7321 2.7763 2.7763 2.8408 2.8408 3.8463 3.8463 4.0062 4.0062 4.6072 4.6072 4.7058 4.7058 5.5293 5.5293 5.6354 5.6354 5.7898 5.7898 6.2528 6.2528 6.5991 6.5991 6.6947 6.6947 6.7758 6.7758 7.1452 7.1452 7.2077 7.2077 7.4254 7.4254 7.5509 7.5509 7.9398 7.9398 8.3658 8.3658 k =-0.0380 0.0579 0.0693 ( 8553 PWs) bands (ev): -36.2554 -36.2554 -36.2334 -36.2334 -11.3371 -11.3371 -10.2019 -10.2019 -10.0161 -10.0161 -10.0113 -10.0113 1.9063 1.9063 2.6808 2.6808 2.7538 2.7538 2.7703 2.7703 2.8348 2.8348 3.8444 3.8444 4.0072 4.0072 4.6455 4.6455 4.7198 4.7198 5.5791 5.5791 5.6635 5.6635 5.8119 5.8119 6.2205 6.2205 6.5954 6.5954 6.6696 6.6696 6.7532 6.7532 7.1412 7.1412 7.2028 7.2028 7.3876 7.3876 7.5208 7.5208 7.9184 7.9184 8.3505 8.3505 k =-0.0316 0.0483 0.0577 ( 8545 PWs) bands (ev): -36.2555 -36.2555 -36.2334 -36.2334 -11.3429 -11.3429 -10.2037 -10.2037 -10.0139 -10.0139 -10.0091 -10.0091 1.9006 1.9006 2.7022 2.7022 2.7651 2.7651 2.7727 2.7727 2.8297 2.8297 3.8421 3.8421 4.0070 4.0070 4.6791 4.6791 4.7340 4.7340 5.6246 5.6246 5.6890 5.6890 5.8318 5.8318 6.1912 6.1912 6.5919 6.5919 6.6473 6.6473 6.7332 6.7332 7.1380 7.1380 7.1988 7.1988 7.3508 7.3508 7.4934 7.4934 7.9012 7.9012 8.3379 8.3379 k =-0.0253 0.0386 0.0462 ( 8553 PWs) bands (ev): -36.2555 -36.2555 -36.2333 -36.2333 -11.3476 -11.3476 -10.2052 -10.2052 -10.0121 -10.0121 -10.0074 -10.0074 1.8958 1.8958 2.7200 2.7200 2.7610 2.7610 2.7886 2.7886 2.8256 2.8256 3.8397 3.8397 4.0060 4.0060 4.7070 4.7070 4.7477 4.7477 5.6641 5.6641 5.7118 5.7118 5.8491 5.8491 6.1657 6.1657 6.5884 6.5884 6.6284 6.6284 6.7165 6.7165 7.1358 7.1358 7.1956 7.1956 7.3167 7.3167 7.4697 7.4697 7.8877 7.8877 8.3280 8.3280 k =-0.0190 0.0290 0.0346 ( 8547 PWs) bands (ev): -36.2556 -36.2556 -36.2333 -36.2333 -11.3513 -11.3513 -10.2064 -10.2064 -10.0107 -10.0107 -10.0060 -10.0060 1.8922 1.8922 2.7341 2.7341 2.7579 2.7579 2.8012 2.8012 2.8224 2.8224 3.8375 3.8375 4.0047 4.0047 4.7283 4.7283 4.7605 4.7605 5.6954 5.6954 5.7317 5.7317 5.8632 5.8632 6.1448 6.1448 6.5848 6.5848 6.6134 6.6134 6.7032 6.7032 7.1345 7.1345 7.1935 7.1935 7.2869 7.2869 7.4504 7.4504 7.8776 7.8776 8.3204 8.3204 k =-0.0127 0.0193 0.0231 ( 8543 PWs) bands (ev): -36.2556 -36.2556 -36.2333 -36.2333 -11.3540 -11.3540 -10.2073 -10.2073 -10.0097 -10.0097 -10.0050 -10.0050 1.8895 1.8895 2.7439 2.7439 2.7560 2.7560 2.8101 2.8101 2.8203 2.8203 3.8357 3.8357 4.0035 4.0035 4.7427 4.7427 4.7715 4.7715 5.7172 5.7172 5.7484 5.7484 5.8737 5.8737 6.1292 6.1292 6.5812 6.5812 6.6029 6.6029 6.6938 6.6938 7.1340 7.1340 7.1924 7.1924 7.2632 7.2632 7.4361 7.4361 7.8706 7.8706 8.3151 8.3151 k =-0.0063 0.0097 0.0115 ( 8539 PWs) bands (ev): -36.2556 -36.2556 -36.2333 -36.2333 -11.3556 -11.3556 -10.2078 -10.2078 -10.0091 -10.0091 -10.0044 -10.0044 1.8879 1.8879 2.7489 2.7489 2.7559 2.7559 2.8149 2.8149 2.8197 2.8197 3.8346 3.8346 4.0027 4.0027 4.7508 4.7508 4.7790 4.7790 5.7294 5.7294 5.7600 5.7600 5.8802 5.8802 6.1196 6.1196 6.5783 6.5783 6.5970 6.5970 6.6882 6.6882 7.1339 7.1339 7.1922 7.1922 7.2476 7.2476 7.4273 7.4273 7.8665 7.8665 8.3119 8.3119 k = 0.0000 0.0000 0.0000 ( 8531 PWs) bands (ev): -36.2556 -36.2556 -36.2333 -36.2333 -11.3561 -11.3561 -10.2080 -10.2080 -10.0089 -10.0089 -10.0042 -10.0042 1.8874 1.8874 2.7499 2.7499 2.7565 2.7565 2.8159 2.8159 2.8201 2.8201 3.8342 3.8342 4.0024 4.0024 4.7534 4.7534 4.7817 4.7817 5.7333 5.7333 5.7641 5.7641 5.8824 5.8824 6.1164 6.1164 6.5772 6.5772 6.5951 6.5951 6.6863 6.6863 7.1339 7.1339 7.1923 7.1923 7.2421 7.2421 7.4244 7.4244 7.8651 7.8651 8.3109 8.3109 k = 0.0000 0.0000 0.0000 ( 8531 PWs) bands (ev): -36.2556 -36.2556 -36.2333 -36.2333 -11.3561 -11.3561 -10.2080 -10.2080 -10.0089 -10.0089 -10.0042 -10.0042 1.8874 1.8874 2.7499 2.7499 2.7565 2.7565 2.8159 2.8159 2.8201 2.8201 3.8342 3.8342 4.0024 4.0024 4.7534 4.7534 4.7817 4.7817 5.7333 5.7333 5.7641 5.7641 5.8824 5.8824 6.1164 6.1164 6.5772 6.5772 6.5951 6.5951 6.6863 6.6863 7.1339 7.1339 7.1923 7.1923 7.2421 7.2421 7.4244 7.4244 7.8651 7.8651 8.3109 8.3109 k = 0.0139 0.0091-0.0000 ( 8539 PWs) bands (ev): -36.2556 -36.2556 -36.2333 -36.2333 -11.3556 -11.3556 -10.2085 -10.2085 -10.0090 -10.0090 -10.0042 -10.0042 1.8879 1.8879 2.7326 2.7326 2.7370 2.7370 2.8361 2.8361 2.8382 2.8382 3.8346 3.8346 4.0040 4.0040 4.7537 4.7537 4.7820 4.7820 5.7317 5.7317 5.7626 5.7626 5.8786 5.8786 6.1167 6.1167 6.5776 6.5776 6.5952 6.5952 6.6862 6.6862 7.1342 7.1342 7.1925 7.1925 7.2422 7.2422 7.4243 7.4243 7.8665 7.8665 8.3101 8.3101 k = 0.0278 0.0182-0.0000 ( 8547 PWs) bands (ev): -36.2556 -36.2556 -36.2333 -36.2333 -11.3541 -11.3541 -10.2102 -10.2102 -10.0092 -10.0092 -10.0044 -10.0044 1.8895 1.8895 2.7001 2.7001 2.7031 2.7031 2.8723 2.8723 2.8729 2.8729 3.8358 3.8358 4.0088 4.0088 4.7547 4.7547 4.7829 4.7829 5.7268 5.7268 5.7579 5.7579 5.8673 5.8673 6.1174 6.1174 6.5787 6.5787 6.5954 6.5954 6.6858 6.6858 7.1351 7.1351 7.1929 7.1929 7.2424 7.2424 7.4240 7.4240 7.8704 7.8704 8.3078 8.3078 k = 0.0417 0.0273-0.0000 ( 8547 PWs) bands (ev): -36.2555 -36.2555 -36.2334 -36.2334 -11.3515 -11.3515 -10.2130 -10.2130 -10.0095 -10.0095 -10.0047 -10.0047 1.8922 1.8922 2.6650 2.6650 2.6672 2.6672 2.9118 2.9118 2.9120 2.9120 3.8378 3.8378 4.0168 4.0168 4.7562 4.7562 4.7845 4.7845 5.7188 5.7188 5.7501 5.7501 5.8486 5.8486 6.1186 6.1186 6.5805 6.5805 6.5956 6.5956 6.6852 6.6852 7.1366 7.1366 7.1937 7.1937 7.2428 7.2428 7.4234 7.4234 7.8768 7.8768 8.3039 8.3039 k = 0.0556 0.0364-0.0000 ( 8555 PWs) bands (ev): -36.2554 -36.2554 -36.2334 -36.2334 -11.3479 -11.3479 -10.2169 -10.2169 -10.0100 -10.0100 -10.0051 -10.0051 1.8961 1.8961 2.6296 2.6296 2.6314 2.6314 2.9524 2.9524 2.9531 2.9531 3.8405 3.8405 4.0279 4.0279 4.7584 4.7584 4.7866 4.7866 5.7078 5.7078 5.7394 5.7394 5.8230 5.8230 6.1204 6.1204 6.5827 6.5827 6.5958 6.5958 6.6842 6.6842 7.1388 7.1388 7.1949 7.1949 7.2433 7.2433 7.4227 7.4227 7.8854 7.8854 8.2985 8.2985 k = 0.0694 0.0455-0.0000 ( 8575 PWs) bands (ev): -36.2554 -36.2554 -36.2335 -36.2335 -11.3432 -11.3432 -10.2219 -10.2219 -10.0106 -10.0106 -10.0057 -10.0057 1.9012 1.9012 2.5945 2.5945 2.5960 2.5960 2.9941 2.9941 2.9952 2.9952 3.8439 3.8439 4.0419 4.0419 4.7613 4.7613 4.7894 4.7894 5.6938 5.6938 5.7260 5.7260 5.7909 5.7909 6.1226 6.1226 6.5851 6.5851 6.5958 6.5958 6.6828 6.6828 7.1417 7.1417 7.1965 7.1965 7.2440 7.2440 7.4218 7.4218 7.8958 7.8958 8.2917 8.2917 k = 0.0833 0.0546-0.0000 ( 8559 PWs) bands (ev): -36.2552 -36.2552 -36.2337 -36.2337 -11.3376 -11.3376 -10.2280 -10.2280 -10.0113 -10.0113 -10.0063 -10.0063 1.9076 1.9076 2.5602 2.5602 2.5615 2.5615 3.0366 3.0366 3.0379 3.0379 3.8479 3.8479 4.0587 4.0587 4.7647 4.7647 4.7927 4.7927 5.6770 5.6770 5.7101 5.7101 5.7531 5.7531 6.1253 6.1253 6.5875 6.5875 6.5954 6.5954 6.6810 6.6810 7.1453 7.1453 7.1987 7.1987 7.2448 7.2448 7.4206 7.4206 7.9078 7.9078 8.2835 8.2835 k = 0.0972 0.0637-0.0000 ( 8567 PWs) bands (ev): -36.2551 -36.2551 -36.2338 -36.2338 -11.3309 -11.3309 -10.2352 -10.2352 -10.0122 -10.0122 -10.0071 -10.0071 1.9153 1.9153 2.5267 2.5267 2.5277 2.5277 3.0796 3.0796 3.0813 3.0813 3.8525 3.8525 4.0781 4.0781 4.7688 4.7688 4.7967 4.7967 5.6570 5.6570 5.6918 5.6918 5.7106 5.7106 6.1285 6.1285 6.5897 6.5897 6.5945 6.5945 6.6786 6.6786 7.1498 7.1498 7.2013 7.2013 7.2458 7.2458 7.4193 7.4193 7.9208 7.9208 8.2740 8.2740 k = 0.1111 0.0728-0.0000 ( 8575 PWs) bands (ev): -36.2550 -36.2550 -36.2339 -36.2339 -11.3233 -11.3233 -10.2434 -10.2434 -10.0132 -10.0132 -10.0079 -10.0079 1.9245 1.9245 2.4940 2.4940 2.4949 2.4949 3.1232 3.1232 3.1251 3.1251 3.8574 3.8574 4.1000 4.1000 4.7734 4.7734 4.8012 4.8012 5.6320 5.6320 5.6661 5.6661 5.6715 5.6715 6.1322 6.1322 6.5913 6.5913 6.5930 6.5930 6.6755 6.6755 7.1552 7.1552 7.2046 7.2046 7.2469 7.2469 7.4178 7.4178 7.9346 7.9346 8.2632 8.2632 k = 0.1250 0.0819-0.0000 ( 8559 PWs) bands (ev): -36.2548 -36.2548 -36.2341 -36.2341 -11.3146 -11.3146 -10.2527 -10.2527 -10.0142 -10.0142 -10.0089 -10.0089 1.9353 1.9353 2.4623 2.4623 2.4630 2.4630 3.1672 3.1672 3.1694 3.1694 3.8627 3.8627 4.1240 4.1240 4.7787 4.7787 4.8063 4.8063 5.5943 5.5943 5.6281 5.6281 5.6493 5.6493 6.1364 6.1364 6.5908 6.5908 6.5920 6.5920 6.6716 6.6716 7.1614 7.1614 7.2086 7.2086 7.2482 7.2482 7.4162 7.4162 7.9488 7.9488 8.2514 8.2514 k = 0.1389 0.0910-0.0000 ( 8563 PWs) bands (ev): -36.2546 -36.2546 -36.2343 -36.2343 -11.3050 -11.3050 -10.2630 -10.2630 -10.0154 -10.0154 -10.0099 -10.0099 1.9477 1.9477 2.4315 2.4315 2.4321 2.4321 3.2115 3.2115 3.2140 3.2140 3.8681 3.8681 4.1500 4.1500 4.7844 4.7844 4.8119 4.8119 5.5423 5.5423 5.5991 5.5991 5.6255 5.6255 6.1410 6.1410 6.5878 6.5878 6.5918 6.5918 6.6668 6.6668 7.1685 7.1685 7.2133 7.2133 7.2497 7.2497 7.4143 7.4143 7.9630 7.9630 8.2386 8.2386 k = 0.1528 0.1001-0.0000 ( 8539 PWs) bands (ev): -36.2543 -36.2543 -36.2345 -36.2345 -11.2945 -11.2945 -10.2743 -10.2743 -10.0167 -10.0167 -10.0111 -10.0111 1.9619 1.9619 2.4017 2.4017 2.4023 2.4023 3.2561 3.2561 3.2588 3.2588 3.8735 3.8735 4.1777 4.1777 4.7908 4.7908 4.8181 4.8181 5.4841 5.4841 5.5721 5.5721 5.6004 5.6004 6.1460 6.1460 6.5840 6.5840 6.5903 6.5903 6.6611 6.6611 7.1764 7.1764 7.2188 7.2188 7.2514 7.2514 7.4124 7.4124 7.9769 7.9769 8.2249 8.2249 k = 0.1667 0.1092-0.0000 ( 8555 PWs) bands (ev): -36.2541 -36.2541 -36.2348 -36.2348 -11.2829 -11.2829 -10.2866 -10.2866 -10.0181 -10.0181 -10.0123 -10.0123 1.9779 1.9779 2.3730 2.3730 2.3734 2.3734 3.3008 3.3008 3.3038 3.3038 3.8786 3.8786 4.2067 4.2067 4.7976 4.7976 4.8247 4.8247 5.4226 5.4226 5.5448 5.5448 5.5740 5.5740 6.1515 6.1515 6.5793 6.5793 6.5875 6.5875 6.6543 6.6543 7.1851 7.1851 7.2249 7.2249 7.2534 7.2534 7.4102 7.4102 7.9902 7.9902 8.2104 8.2104 k = 0.1806 0.1183-0.0000 ( 8551 PWs) bands (ev): -36.2539 -36.2539 -36.2350 -36.2350 -11.2705 -11.2705 -10.2999 -10.2999 -10.0195 -10.0195 -10.0136 -10.0136 1.9959 1.9959 2.3453 2.3453 2.3457 2.3457 3.3457 3.3457 3.3489 3.3489 3.8831 3.8831 4.2369 4.2369 4.8049 4.8049 4.8319 4.8319 5.3591 5.3591 5.5169 5.5169 5.5467 5.5467 6.1575 6.1575 6.5737 6.5737 6.5832 6.5832 6.6465 6.6465 7.1943 7.1943 7.2318 7.2318 7.2556 7.2556 7.4080 7.4080 8.0027 8.0027 8.1954 8.1954 k = 0.1944 0.1274-0.0000 ( 8531 PWs) bands (ev): -36.2536 -36.2536 -36.2353 -36.2353 -11.2572 -11.2572 -10.3141 -10.3141 -10.0210 -10.0210 -10.0149 -10.0149 2.0159 2.0159 2.3188 2.3188 2.3190 2.3190 3.3905 3.3905 3.3940 3.3940 3.8867 3.8867 4.2680 4.2680 4.8127 4.8127 4.8394 4.8394 5.2945 5.2945 5.4884 5.4884 5.5185 5.5185 6.1638 6.1638 6.5672 6.5672 6.5774 6.5774 6.6378 6.6378 7.2040 7.2040 7.2394 7.2394 7.2583 7.2583 7.4056 7.4056 8.0143 8.0143 8.1800 8.1800 k = 0.2083 0.1365-0.0000 ( 8535 PWs) bands (ev): -36.2533 -36.2533 -36.2355 -36.2355 -11.2429 -11.2429 -10.3293 -10.3293 -10.0225 -10.0225 -10.0163 -10.0163 2.0381 2.0381 2.2933 2.2933 2.2934 2.2934 3.4353 3.4353 3.4390 3.4390 3.8889 3.8889 4.2995 4.2995 4.8208 4.8208 4.8473 4.8473 5.2296 5.2296 5.4595 5.4595 5.4898 5.4898 6.1706 6.1706 6.5598 6.5598 6.5702 6.5702 6.6281 6.6281 7.2139 7.2139 7.2475 7.2475 7.2614 7.2614 7.4032 7.4032 8.0247 8.0247 8.1643 8.1643 k = 0.2222 0.1456-0.0000 ( 8543 PWs) bands (ev): -36.2530 -36.2530 -36.2359 -36.2359 -11.2278 -11.2278 -10.3453 -10.3453 -10.0240 -10.0240 -10.0178 -10.0178 2.0625 2.0625 2.2689 2.2689 2.2689 2.2689 3.4799 3.4799 3.4839 3.4839 3.8894 3.8894 4.3314 4.3314 4.8293 4.8293 4.8555 4.8555 5.1651 5.1651 5.4302 5.4302 5.4608 5.4608 6.1777 6.1777 6.5514 6.5514 6.5615 6.5615 6.6178 6.6178 7.2235 7.2235 7.2561 7.2561 7.2654 7.2654 7.4006 7.4006 8.0339 8.0339 8.1484 8.1484 k = 0.2361 0.1547-0.0000 ( 8543 PWs) bands (ev): -36.2527 -36.2527 -36.2362 -36.2362 -11.2119 -11.2119 -10.3621 -10.3621 -10.0256 -10.0256 -10.0193 -10.0193 2.0890 2.0890 2.2455 2.2455 2.2457 2.2457 3.5243 3.5243 3.5285 3.5285 3.8876 3.8876 4.3631 4.3631 4.8379 4.8379 4.8639 4.8639 5.1019 5.1019 5.4008 5.4008 5.4315 5.4315 6.1852 6.1852 6.5419 6.5419 6.5514 6.5514 6.6068 6.6068 7.2324 7.2324 7.2650 7.2650 7.2704 7.2704 7.3980 7.3980 8.0418 8.0418 8.1327 8.1327 k = 0.2500 0.1638-0.0000 ( 8551 PWs) bands (ev): -36.2523 -36.2523 -36.2365 -36.2365 -11.1952 -11.1952 -10.3798 -10.3798 -10.0272 -10.0272 -10.0208 -10.0208 2.1179 2.1179 2.2233 2.2233 2.2237 2.2237 3.5682 3.5682 3.5727 3.5727 3.8827 3.8827 4.3946 4.3946 4.8468 4.8468 4.8724 4.8724 5.0409 5.0409 5.3714 5.3714 5.4022 5.4022 6.1931 6.1931 6.5314 6.5314 6.5401 6.5401 6.5955 6.5955 7.2403 7.2403 7.2742 7.2742 7.2768 7.2768 7.3954 7.3954 8.0484 8.0484 8.1172 8.1172 k = 0.2639 0.1729-0.0000 ( 8539 PWs) bands (ev): -36.2520 -36.2520 -36.2369 -36.2369 -11.1776 -11.1776 -10.3983 -10.3983 -10.0287 -10.0287 -10.0223 -10.0223 2.1487 2.1487 2.2023 2.2023 2.2033 2.2033 3.6117 3.6117 3.6164 3.6164 3.8743 3.8743 4.4254 4.4254 4.8556 4.8556 4.8808 4.8808 4.9829 4.9829 5.3423 5.3423 5.3730 5.3730 6.2013 6.2013 6.5198 6.5198 6.5277 6.5277 6.5839 6.5839 7.2468 7.2468 7.2834 7.2834 7.2847 7.2847 7.3929 7.3929 8.0536 8.0536 8.1021 8.1021 k = 0.2778 0.1819-0.0000 ( 8531 PWs) bands (ev): -36.2516 -36.2516 -36.2372 -36.2372 -11.1594 -11.1594 -10.4176 -10.4176 -10.0302 -10.0302 -10.0239 -10.0239 2.1749 2.1749 2.1823 2.1823 2.1910 2.1910 3.6546 3.6546 3.6596 3.6596 3.8615 3.8615 4.4553 4.4553 4.8643 4.8643 4.8890 4.8890 4.9291 4.9291 5.3136 5.3136 5.3443 5.3443 6.2099 6.2099 6.5072 6.5072 6.5144 6.5144 6.5722 6.5722 7.2521 7.2521 7.2924 7.2924 7.2939 7.2939 7.3904 7.3904 8.0575 8.0575 8.0875 8.0875 k = 0.2917 0.1910-0.0000 ( 8523 PWs) bands (ev): -36.2512 -36.2512 -36.2376 -36.2376 -11.1403 -11.1403 -10.4376 -10.4376 -10.0317 -10.0317 -10.0254 -10.0254 2.1624 2.1624 2.1636 2.1636 2.2211 2.2211 3.6968 3.6968 3.7019 3.7019 3.8436 3.8436 4.4842 4.4842 4.8728 4.8728 4.8787 4.8787 4.8981 4.8981 5.2857 5.2857 5.3162 5.3162 6.2187 6.2187 6.4936 6.4936 6.5002 6.5002 6.5606 6.5606 7.2564 7.2564 7.3011 7.3011 7.3038 7.3038 7.3882 7.3882 8.0601 8.0601 8.0737 8.0737 k = 0.3056 0.2001-0.0000 ( 8547 PWs) bands (ev): -36.2508 -36.2508 -36.2380 -36.2380 -11.1206 -11.1206 -10.4582 -10.4582 -10.0331 -10.0331 -10.0270 -10.0270 2.1454 2.1454 2.1460 2.1460 2.2593 2.2593 3.7381 3.7381 3.7434 3.7434 3.8201 3.8201 4.5116 4.5116 4.8354 4.8354 4.8807 4.8807 4.9050 4.9050 5.2588 5.2588 5.2889 5.2889 6.2278 6.2278 6.4792 6.4792 6.4856 6.4856 6.5491 6.5491 7.2603 7.2603 7.3092 7.3092 7.3142 7.3142 7.3862 7.3862 8.0608 8.0608 8.0614 8.0614 k = 0.3194 0.2092-0.0000 ( 8539 PWs) bands (ev): -36.2504 -36.2504 -36.2384 -36.2384 -11.1003 -11.1003 -10.4795 -10.4795 -10.0344 -10.0344 -10.0285 -10.0285 2.1292 2.1292 2.1296 2.1296 2.3003 2.3003 3.7784 3.7784 3.7829 3.7829 3.7915 3.7915 4.5375 4.5375 4.7977 4.7977 4.8879 4.8879 4.9114 4.9114 5.2333 5.2333 5.2629 5.2629 6.2371 6.2371 6.4643 6.4643 6.4705 6.4705 6.5376 6.5376 7.2638 7.2638 7.3164 7.3164 7.3245 7.3245 7.3848 7.3848 8.0488 8.0488 8.0615 8.0615 k = 0.3333 0.2183-0.0000 ( 8539 PWs) bands (ev): -36.2500 -36.2500 -36.2388 -36.2388 -11.0793 -11.0793 -10.5014 -10.5014 -10.0357 -10.0357 -10.0299 -10.0299 2.1141 2.1141 2.1145 2.1145 2.3438 2.3438 3.7546 3.7546 3.8175 3.8175 3.8233 3.8233 4.5616 4.5616 4.7661 4.7661 4.8941 4.8941 4.9167 4.9167 5.2096 5.2096 5.2384 5.2384 6.2467 6.2467 6.4489 6.4489 6.4554 6.4554 6.5262 6.5262 7.2671 7.2671 7.3224 7.3224 7.3347 7.3347 7.3841 7.3841 8.0379 8.0379 8.0605 8.0605 k = 0.3472 0.2274-0.0000 ( 8542 PWs) bands (ev): -36.2496 -36.2496 -36.2392 -36.2392 -11.0577 -11.0577 -10.5238 -10.5238 -10.0369 -10.0369 -10.0314 -10.0314 2.1002 2.1002 2.1005 2.1005 2.3897 2.3897 3.7128 3.7128 3.8553 3.8553 3.8610 3.8610 4.5838 4.5838 4.7407 4.7407 4.8990 4.8990 4.9203 4.9203 5.1881 5.1881 5.2158 5.2158 6.2564 6.2564 6.4335 6.4335 6.4404 6.4404 6.5149 6.5149 7.2703 7.2703 7.3270 7.3270 7.3445 7.3445 7.3844 7.3844 8.0282 8.0282 8.0585 8.0585 k = 0.3611 0.2365-0.0000 ( 8546 PWs) bands (ev): -36.2491 -36.2491 -36.2397 -36.2397 -11.0356 -11.0356 -10.5468 -10.5468 -10.0379 -10.0379 -10.0328 -10.0328 2.0875 2.0875 2.0877 2.0877 2.4381 2.4381 3.6653 3.6653 3.8914 3.8914 3.8971 3.8971 4.6040 4.6040 4.7211 4.7211 4.9022 4.9022 4.9220 4.9220 5.1694 5.1694 5.1954 5.1954 6.2662 6.2662 6.4183 6.4183 6.4259 6.4259 6.5036 6.5036 7.2735 7.2735 7.3300 7.3300 7.3539 7.3539 7.3856 7.3856 8.0198 8.0198 8.0556 8.0556 k = 0.3750 0.2456-0.0000 ( 8542 PWs) bands (ev): -36.2487 -36.2487 -36.2401 -36.2401 -11.0129 -11.0129 -10.5702 -10.5702 -10.0389 -10.0389 -10.0341 -10.0341 2.0759 2.0759 2.0761 2.0761 2.4887 2.4887 3.6128 3.6128 3.9257 3.9257 3.9314 3.9314 4.6219 4.6219 4.7066 4.7066 4.9035 4.9035 4.9213 4.9213 5.1538 5.1538 5.1777 5.1777 6.2760 6.2760 6.4034 6.4034 6.4120 6.4120 6.4923 6.4923 7.2767 7.2767 7.3313 7.3313 7.3626 7.3626 7.3879 7.3879 8.0128 8.0128 8.0519 8.0519 k = 0.3889 0.2547-0.0000 ( 8546 PWs) bands (ev): -36.2482 -36.2482 -36.2406 -36.2406 -10.9898 -10.9898 -10.5940 -10.5940 -10.0397 -10.0397 -10.0353 -10.0353 2.0656 2.0656 2.0657 2.0657 2.5416 2.5416 3.5560 3.5560 3.9579 3.9579 3.9634 3.9634 4.6377 4.6377 4.6966 4.6966 4.9027 4.9027 4.9181 4.9181 5.1417 5.1417 5.1629 5.1629 6.2857 6.2857 6.3893 6.3893 6.3991 6.3991 6.4809 6.4809 7.2799 7.2799 7.3311 7.3311 7.3707 7.3707 7.3908 7.3908 8.0070 8.0070 8.0475 8.0475 k = 0.4028 0.2638-0.0000 ( 8546 PWs) bands (ev): -36.2478 -36.2478 -36.2410 -36.2410 -10.9663 -10.9663 -10.6182 -10.6182 -10.0404 -10.0404 -10.0365 -10.0365 2.0564 2.0564 2.0565 2.0565 2.5967 2.5967 3.4957 3.4957 3.9878 3.9878 3.9930 3.9930 4.6512 4.6512 4.6902 4.6902 4.8999 4.8999 4.9126 4.9126 5.1328 5.1328 5.1511 5.1511 6.2952 6.2952 6.3760 6.3760 6.3878 6.3878 6.4696 6.4696 7.2832 7.2832 7.3299 7.3299 7.3780 7.3780 7.3941 7.3941 8.0027 8.0027 8.0427 8.0427 k = 0.4167 0.2729-0.0000 ( 8554 PWs) bands (ev): -36.2473 -36.2473 -36.2415 -36.2415 -10.9423 -10.9423 -10.6427 -10.6427 -10.0410 -10.0410 -10.0375 -10.0375 2.0485 2.0485 2.0486 2.0486 2.6538 2.6538 3.4327 3.4327 4.0149 4.0149 4.0197 4.0197 4.6625 4.6625 4.6868 4.6868 4.8953 4.8953 4.9054 4.9054 5.1270 5.1270 5.1421 5.1421 6.3040 6.3040 6.3639 6.3639 6.3784 6.3784 6.4583 6.4583 7.2866 7.2866 7.3278 7.3278 7.3845 7.3845 7.3974 7.3974 7.9997 7.9997 8.0374 8.0374 k = 0.4306 0.2820-0.0000 ( 8558 PWs) bands (ev): -36.2468 -36.2468 -36.2420 -36.2420 -10.9181 -10.9181 -10.6674 -10.6674 -10.0415 -10.0415 -10.0385 -10.0385 2.0418 2.0418 2.0418 2.0418 2.7128 2.7128 3.3677 3.3677 4.0388 4.0388 4.0431 4.0431 4.6717 4.6717 4.6854 4.6854 4.8897 4.8897 4.8972 4.8972 5.1236 5.1236 5.1356 5.1356 6.3116 6.3116 6.3531 6.3531 6.3717 6.3717 6.4470 6.4470 7.2900 7.2900 7.3252 7.3252 7.3903 7.3903 7.4003 7.4003 7.9980 7.9980 8.0319 8.0319 k = 0.4444 0.2911-0.0000 ( 8554 PWs) bands (ev): -36.2463 -36.2463 -36.2425 -36.2425 -10.8935 -10.8935 -10.6924 -10.6924 -10.0418 -10.0418 -10.0394 -10.0394 2.0363 2.0363 2.0363 2.0363 2.7737 2.7737 3.3012 3.3012 4.0593 4.0593 4.0630 4.0630 4.6787 4.6787 4.6856 4.6856 4.8836 4.8836 4.8890 4.8890 5.1219 5.1219 5.1311 5.1311 6.3172 6.3172 6.3439 6.3439 6.3688 6.3688 6.4358 6.4358 7.2936 7.2936 7.3221 7.3221 7.3951 7.3951 7.4029 7.4029 7.9976 7.9976 8.0264 8.0264 k = 0.4583 0.3002-0.0000 ( 8570 PWs) bands (ev): -36.2459 -36.2459 -36.2430 -36.2430 -10.8687 -10.8687 -10.7175 -10.7175 -10.0419 -10.0419 -10.0401 -10.0401 2.0320 2.0320 2.0320 2.0320 2.8362 2.8362 3.2340 3.2340 4.0759 4.0759 4.0788 4.0788 4.6838 4.6838 4.6865 4.6865 4.8779 4.8779 4.8815 4.8815 5.1215 5.1215 5.1281 5.1281 6.3202 6.3202 6.3362 6.3362 6.3702 6.3702 6.4246 6.4246 7.2971 7.2971 7.3188 7.3188 7.3991 7.3991 7.4047 7.4047 7.9983 7.9983 8.0209 8.0209 k = 0.4722 0.3093-0.0000 ( 8574 PWs) bands (ev): -36.2454 -36.2454 -36.2434 -36.2434 -10.8437 -10.8437 -10.7428 -10.7428 -10.0420 -10.0420 -10.0407 -10.0407 2.0289 2.0289 2.0290 2.0290 2.9002 2.9002 3.1664 3.1664 4.0882 4.0882 4.0902 4.0902 4.6871 4.6871 4.6878 4.6878 4.8733 4.8733 4.8755 4.8755 5.1218 5.1218 5.1260 5.1260 6.3214 6.3214 6.3303 6.3303 6.3755 6.3755 6.4136 6.4136 7.3008 7.3008 7.3153 7.3153 7.4022 7.4022 7.4059 7.4059 8.0001 8.0001 8.0156 8.0156 k = 0.4861 0.3184-0.0000 ( 8574 PWs) bands (ev): -36.2449 -36.2449 -36.2439 -36.2439 -10.8186 -10.8186 -10.7680 -10.7680 -10.0419 -10.0419 -10.0412 -10.0412 2.0271 2.0271 2.0271 2.0271 2.9655 2.9655 3.0988 3.0988 4.0960 4.0960 4.0970 4.0970 4.6889 4.6889 4.6889 4.6889 4.8705 4.8705 4.8715 4.8715 5.1225 5.1225 5.1245 5.1245 6.3221 6.3221 6.3261 6.3261 6.3834 6.3834 6.4030 6.4030 7.3044 7.3044 7.3118 7.3118 7.4045 7.4045 7.4063 7.4063 8.0029 8.0029 8.0108 8.0108 k = 0.5000 0.3275-0.0000 ( 8602 PWs) bands (ev): -36.2444 -36.2444 -36.2444 -36.2444 -10.7933 -10.7933 -10.7933 -10.7933 -10.0416 -10.0416 -10.0416 -10.0416 2.0265 2.0265 2.0265 2.0265 3.0318 3.0318 3.0318 3.0318 4.0989 4.0989 4.0989 4.0989 4.6894 4.6894 4.6894 4.6894 4.8698 4.8698 4.8698 4.8698 5.1234 5.1234 5.1234 5.1234 6.3235 6.3235 6.3235 6.3235 6.3928 6.3928 6.3928 6.3928 7.3081 7.3081 7.3081 7.3081 7.4058 7.4058 7.4058 7.4058 8.0065 8.0065 8.0065 8.0065 k = 0.5000 0.3275-0.0000 ( 8602 PWs) bands (ev): -36.2444 -36.2444 -36.2444 -36.2444 -10.7933 -10.7933 -10.7933 -10.7933 -10.0416 -10.0416 -10.0416 -10.0416 2.0265 2.0265 2.0265 2.0265 3.0318 3.0318 3.0318 3.0318 4.0989 4.0989 4.0989 4.0989 4.6894 4.6894 4.6894 4.6894 4.8698 4.8698 4.8698 4.8698 5.1234 5.1234 5.1234 5.1234 6.3235 6.3235 6.3235 6.3235 6.3928 6.3928 6.3928 6.3928 7.3081 7.3081 7.3081 7.3081 7.4058 7.4058 7.4058 7.4058 8.0065 8.0065 8.0065 8.0065 k = 0.4937 0.3372 0.0116 ( 8586 PWs) bands (ev): -36.2444 -36.2444 -36.2444 -36.2444 -10.7930 -10.7930 -10.7929 -10.7929 -10.0421 -10.0421 -10.0416 -10.0416 2.0263 2.0263 2.0271 2.0271 3.0311 3.0311 3.0315 3.0315 4.0956 4.0956 4.0992 4.0992 4.6817 4.6817 4.6893 4.6893 4.8677 4.8677 4.8737 4.8737 5.1202 5.1202 5.1221 5.1221 6.3141 6.3141 6.3287 6.3287 6.3900 6.3900 6.4053 6.4053 7.3058 7.3058 7.3148 7.3148 7.4037 7.4037 7.4112 7.4112 8.0076 8.0076 8.0086 8.0086 k = 0.4873 0.3468 0.0231 ( 8562 PWs) bands (ev): -36.2444 -36.2444 -36.2444 -36.2444 -10.7919 -10.7919 -10.7917 -10.7917 -10.0434 -10.0434 -10.0415 -10.0415 2.0256 2.0256 2.0288 2.0288 3.0293 3.0293 3.0304 3.0304 4.0858 4.0858 4.1000 4.1000 4.6610 4.6610 4.6891 4.6891 4.8615 4.8615 4.8835 4.8835 5.1110 5.1110 5.1180 5.1180 6.3011 6.3011 6.3321 6.3321 6.3960 6.3960 6.4254 6.4254 7.3075 7.3075 7.3256 7.3256 7.4030 7.4030 7.4217 7.4217 8.0112 8.0112 8.0146 8.0146 k = 0.4810 0.3565 0.0347 ( 8570 PWs) bands (ev): -36.2444 -36.2444 -36.2444 -36.2444 -10.7901 -10.7901 -10.7896 -10.7896 -10.0456 -10.0456 -10.0413 -10.0413 2.0245 2.0245 2.0317 2.0317 3.0261 3.0261 3.0288 3.0288 4.0695 4.0695 4.1014 4.1014 4.6313 4.6313 4.6886 4.6886 4.8511 4.8511 4.8950 4.8950 5.0960 5.0960 5.1118 5.1118 6.2870 6.2870 6.3360 6.3360 6.4088 6.4088 6.4505 6.4505 7.3124 7.3124 7.3399 7.3399 7.4031 7.4031 7.4385 7.4385 8.0172 8.0172 8.0247 8.0247 k = 0.4747 0.3662 0.0462 ( 8562 PWs) bands (ev): -36.2445 -36.2445 -36.2443 -36.2443 -10.7876 -10.7876 -10.7868 -10.7868 -10.0488 -10.0488 -10.0411 -10.0411 2.0229 2.0229 2.0358 2.0358 3.0217 3.0217 3.0264 3.0264 4.0467 4.0467 4.1033 4.1033 4.5956 4.5956 4.6881 4.6881 4.8369 4.8369 4.9054 4.9054 5.0755 5.0755 5.1040 5.1040 6.2734 6.2734 6.3415 6.3415 6.4272 6.4272 6.4788 6.4788 7.3192 7.3192 7.3570 7.3570 7.4037 7.4037 7.4620 7.4620 8.0261 8.0261 8.0390 8.0390 k = 0.4683 0.3759 0.0578 ( 8562 PWs) bands (ev): -36.2445 -36.2445 -36.2443 -36.2443 -10.7843 -10.7843 -10.7831 -10.7831 -10.0528 -10.0528 -10.0409 -10.0409 2.0208 2.0208 2.0410 2.0410 3.0160 3.0160 3.0233 3.0233 4.0175 4.0175 4.1057 4.1057 4.5562 4.5562 4.6874 4.6874 4.8190 4.8190 4.9126 4.9126 5.0502 5.0502 5.0954 5.0954 6.2608 6.2608 6.3497 6.3497 6.4503 6.4503 6.5097 6.5097 7.3269 7.3269 7.3761 7.3761 7.4047 7.4047 7.4916 7.4916 8.0383 8.0383 8.0577 8.0577 k = 0.4620 0.3855 0.0694 ( 8564 PWs) bands (ev): -36.2445 -36.2445 -36.2442 -36.2442 -10.7804 -10.7804 -10.7787 -10.7787 -10.0576 -10.0576 -10.0405 -10.0405 2.0182 2.0182 2.0474 2.0474 3.0091 3.0091 3.0194 3.0194 3.9820 3.9820 4.1088 4.1088 4.5142 4.5142 4.6867 4.6867 4.7976 4.7976 4.9159 4.9159 5.0207 5.0207 5.0868 5.0868 6.2498 6.2498 6.3609 6.3609 6.4773 6.4773 6.5426 6.5426 7.3350 7.3350 7.3953 7.3953 7.4076 7.4076 7.5260 7.5260 8.0541 8.0541 8.0809 8.0809 k = 0.4557 0.3952 0.0809 ( 8568 PWs) bands (ev): -36.2446 -36.2446 -36.2441 -36.2441 -10.7759 -10.7759 -10.7735 -10.7735 -10.0633 -10.0633 -10.0401 -10.0401 2.0150 2.0150 2.0549 2.0549 3.0010 3.0010 3.0147 3.0147 3.9406 3.9406 4.1123 4.1123 4.4706 4.4706 4.6861 4.6861 4.7729 4.7729 4.9147 4.9147 4.9874 4.9874 5.0787 5.0787 6.2402 6.2402 6.3758 6.3758 6.5075 6.5075 6.5770 6.5770 7.3431 7.3431 7.4045 7.4045 7.4218 7.4218 7.5633 7.5633 8.0744 8.0744 8.1086 8.1086 k = 0.4493 0.4049 0.0925 ( 8564 PWs) bands (ev): -36.2446 -36.2446 -36.2441 -36.2441 -10.7706 -10.7706 -10.7675 -10.7675 -10.0699 -10.0699 -10.0397 -10.0397 2.0112 2.0112 2.0636 2.0636 2.9916 2.9916 3.0092 3.0092 3.8938 3.8938 4.1165 4.1165 4.4258 4.4258 4.6857 4.6857 4.7454 4.7454 4.9089 4.9089 4.9514 4.9514 5.0716 5.0716 6.2321 6.2321 6.3944 6.3944 6.5405 6.5405 6.6129 6.6129 7.3512 7.3512 7.4074 7.4074 7.4428 7.4428 7.6018 7.6018 8.0996 8.0996 8.1407 8.1407 k = 0.4430 0.4145 0.1040 ( 8556 PWs) bands (ev): -36.2447 -36.2447 -36.2440 -36.2440 -10.7648 -10.7648 -10.7609 -10.7609 -10.0772 -10.0772 -10.0392 -10.0392 2.0067 2.0067 2.0734 2.0734 2.9812 2.9812 3.0027 3.0027 3.8422 3.8422 4.1211 4.1211 4.3804 4.3804 4.6854 4.6854 4.7152 4.7152 4.8968 4.8968 4.9150 4.9150 5.0660 5.0660 6.2255 6.2255 6.4169 6.4169 6.5754 6.5754 6.6497 6.6497 7.3590 7.3590 7.4103 7.4103 7.4639 7.4639 7.6397 7.6397 8.1306 8.1306 8.1772 8.1772 k = 0.4367 0.4242 0.1156 ( 8538 PWs) bands (ev): -36.2447 -36.2447 -36.2439 -36.2439 -10.7583 -10.7583 -10.7534 -10.7534 -10.0854 -10.0854 -10.0386 -10.0386 2.0015 2.0015 2.0844 2.0844 2.9697 2.9697 2.9950 2.9950 3.7865 3.7865 4.1264 4.1264 4.3346 4.3346 4.6810 4.6810 4.6871 4.6871 4.8660 4.8660 4.8918 4.8918 5.0621 5.0621 6.2203 6.2203 6.4431 6.4431 6.6120 6.6120 6.6874 6.6874 7.3665 7.3665 7.4140 7.4140 7.4840 7.4840 7.6755 7.6755 8.1678 8.1678 8.2176 8.2176 k = 0.4303 0.4339 0.1272 ( 8530 PWs) bands (ev): -36.2448 -36.2448 -36.2437 -36.2437 -10.7513 -10.7513 -10.7454 -10.7454 -10.0944 -10.0944 -10.0379 -10.0379 1.9955 1.9955 2.0965 2.0965 2.9573 2.9573 2.9859 2.9859 3.7277 3.7277 4.1322 4.1322 4.2887 4.2887 4.6475 4.6475 4.6865 4.6865 4.8239 4.8239 4.8752 4.8752 5.0597 5.0597 6.2163 6.2163 6.4727 6.4727 6.6496 6.6496 6.7258 6.7258 7.3734 7.3734 7.4188 7.4188 7.5029 7.5029 7.7083 7.7083 8.2111 8.2111 8.2615 8.2615 k = 0.4240 0.4436 0.1387 ( 8540 PWs) bands (ev): -36.2448 -36.2448 -36.2436 -36.2436 -10.7437 -10.7437 -10.7366 -10.7366 -10.1040 -10.1040 -10.0372 -10.0372 1.9887 1.9887 2.1098 2.1098 2.9441 2.9441 2.9753 2.9753 3.6668 3.6668 4.1385 4.1385 4.2426 4.2426 4.6110 4.6110 4.6874 4.6874 4.7794 4.7794 4.8578 4.8578 5.0590 5.0590 6.2135 6.2135 6.5052 6.5052 6.6878 6.6878 6.7645 6.7645 7.3795 7.3795 7.4250 7.4250 7.5203 7.5203 7.7375 7.7375 8.2602 8.2602 8.3083 8.3083 k = 0.4177 0.4532 0.1503 ( 8560 PWs) bands (ev): -36.2449 -36.2449 -36.2435 -36.2435 -10.7357 -10.7357 -10.7272 -10.7272 -10.1145 -10.1145 -10.0365 -10.0365 1.9809 1.9809 2.1243 2.1243 2.9304 2.9304 2.9626 2.9626 3.6049 3.6049 4.1455 4.1455 4.1966 4.1966 4.5729 4.5729 4.6890 4.6890 4.7333 4.7333 4.8393 4.8393 5.0598 5.0598 6.2118 6.2118 6.5404 6.5404 6.7263 6.7263 6.8034 6.8034 7.3849 7.3849 7.4324 7.4324 7.5363 7.5363 7.7632 7.7632 8.3145 8.3145 8.3574 8.3574 k = 0.4113 0.4629 0.1618 ( 8572 PWs) bands (ev): -36.2450 -36.2450 -36.2434 -36.2434 -10.7272 -10.7272 -10.7172 -10.7172 -10.1255 -10.1255 -10.0357 -10.0357 1.9723 1.9723 2.1399 2.1399 2.9162 2.9162 2.9473 2.9473 3.5432 3.5432 4.1492 4.1492 4.1543 4.1543 4.5334 4.5334 4.6862 4.6862 4.6912 4.6912 4.8204 4.8204 5.0618 5.0618 6.2111 6.2111 6.5776 6.5776 6.7646 6.7646 6.8423 6.8423 7.3897 7.3897 7.4410 7.4410 7.5509 7.5509 7.7858 7.7858 8.3728 8.3728 8.4083 8.4083 k = 0.4050 0.4726 0.1734 ( 8566 PWs) bands (ev): -36.2451 -36.2451 -36.2432 -36.2432 -10.7182 -10.7182 -10.7067 -10.7067 -10.1373 -10.1373 -10.0348 -10.0348 1.9626 1.9626 2.1566 2.1566 2.9018 2.9018 2.9288 2.9288 3.4832 3.4832 4.1042 4.1042 4.1613 4.1613 4.4928 4.4928 4.6385 4.6385 4.6940 4.6940 4.8017 4.8017 5.0650 5.0650 6.2114 6.2114 6.6164 6.6164 6.8025 6.8025 6.8811 6.8811 7.3942 7.3942 7.4505 7.4505 7.5643 7.5643 7.8057 7.8057 8.4341 8.4341 8.4601 8.4601 k = 0.3986 0.4822 0.1850 ( 8580 PWs) bands (ev): -36.2452 -36.2452 -36.2431 -36.2431 -10.7090 -10.7090 -10.6956 -10.6956 -10.1496 -10.1496 -10.0339 -10.0339 1.9519 1.9519 2.1745 2.1745 2.8875 2.8875 2.9063 2.9063 3.4261 3.4261 4.0581 4.0581 4.1699 4.1699 4.4512 4.4512 4.5902 4.5902 4.6974 4.6974 4.7837 4.7837 5.0691 5.0691 6.2124 6.2124 6.6565 6.6565 6.8395 6.8395 6.9195 6.9195 7.3986 7.3986 7.4607 7.4607 7.5766 7.5766 7.8235 7.8235 8.4973 8.4973 8.5125 8.5125 k = 0.3923 0.4919 0.1965 ( 8576 PWs) bands (ev): -36.2453 -36.2453 -36.2429 -36.2429 -10.6994 -10.6994 -10.6840 -10.6840 -10.1624 -10.1624 -10.0329 -10.0329 1.9402 1.9402 2.1935 2.1935 2.8734 2.8734 2.8789 2.8789 3.3736 3.3736 4.0118 4.0118 4.1792 4.1792 4.4089 4.4089 4.5415 4.5415 4.7014 4.7014 4.7669 4.7669 5.0739 5.0739 6.2143 6.2143 6.6973 6.6973 6.8755 6.8755 6.9573 6.9573 7.4033 7.4033 7.4712 7.4712 7.5880 7.5880 7.8396 7.8396 8.5613 8.5613 8.5651 8.5651 k = 0.3860 0.5016 0.2081 ( 8568 PWs) bands (ev): -36.2454 -36.2454 -36.2427 -36.2427 -10.6897 -10.6897 -10.6719 -10.6719 -10.1757 -10.1757 -10.0319 -10.0319 1.9275 1.9275 2.2137 2.2137 2.8458 2.8458 2.8600 2.8600 3.3268 3.3268 3.9655 3.9655 4.1891 4.1891 4.3660 4.3660 4.4926 4.4926 4.7059 4.7059 4.7518 4.7518 5.0793 5.0793 6.2168 6.2168 6.7385 6.7385 6.9100 6.9100 6.9945 6.9945 7.4083 7.4083 7.4819 7.4819 7.5988 7.5988 7.8543 7.8543 8.6161 8.6161 8.6264 8.6264 k = 0.3796 0.5113 0.2197 ( 8568 PWs) bands (ev): -36.2455 -36.2455 -36.2425 -36.2425 -10.6798 -10.6798 -10.6594 -10.6594 -10.1895 -10.1895 -10.0308 -10.0308 1.9139 1.9139 2.2350 2.2350 2.8070 2.8070 2.8472 2.8472 3.2865 3.2865 3.9189 3.9189 4.1996 4.1996 4.3226 4.3226 4.4437 4.4437 4.7104 4.7104 4.7391 4.7391 5.0851 5.0851 6.2200 6.2200 6.7797 6.7797 6.9428 6.9428 7.0309 7.0309 7.4140 7.4140 7.4926 7.4926 7.6090 7.6090 7.8681 7.8681 8.6668 8.6668 8.6904 8.6904 k = 0.3733 0.5209 0.2312 ( 8572 PWs) bands (ev): -36.2457 -36.2457 -36.2424 -36.2424 -10.6699 -10.6699 -10.6465 -10.6465 -10.2035 -10.2035 -10.0297 -10.0297 1.8994 1.8994 2.2574 2.2574 2.7623 2.7623 2.8354 2.8354 3.2532 3.2532 3.8723 3.8723 4.2106 4.2106 4.2789 4.2789 4.3949 4.3949 4.7132 4.7132 4.7306 4.7306 5.0910 5.0910 6.2238 6.2238 6.8206 6.8206 6.9737 6.9737 7.0663 7.0663 7.4204 7.4204 7.5033 7.5033 7.6188 7.6188 7.8810 7.8810 8.7159 8.7159 8.7534 8.7534 k = 0.3670 0.5306 0.2428 ( 8566 PWs) bands (ev): -36.2458 -36.2458 -36.2422 -36.2422 -10.6600 -10.6600 -10.6332 -10.6332 -10.2177 -10.2177 -10.0286 -10.0286 1.8841 1.8841 2.2810 2.2810 2.7128 2.7128 2.8247 2.8247 3.2263 3.2263 3.8256 3.8256 4.2220 4.2220 4.2351 4.2351 4.3463 4.3463 4.7101 4.7101 4.7309 4.7309 5.0971 5.0971 6.2281 6.2281 6.8608 6.8608 7.0023 7.0023 7.1006 7.1006 7.4277 7.4277 7.5137 7.5137 7.6283 7.6283 7.8934 7.8934 8.7633 8.7633 8.8149 8.8149 k = 0.3606 0.5403 0.2543 ( 8552 PWs) bands (ev): -36.2459 -36.2459 -36.2420 -36.2420 -10.6504 -10.6504 -10.6196 -10.6196 -10.2321 -10.2321 -10.0275 -10.0275 1.8683 1.8683 2.3057 2.3057 2.6593 2.6593 2.8153 2.8153 3.2053 3.2053 3.7788 3.7788 4.1907 4.1907 4.2345 4.2345 4.2981 4.2981 4.7040 4.7040 4.7368 4.7368 5.1030 5.1030 6.2329 6.2329 6.9002 6.9002 7.0286 7.0286 7.1336 7.1336 7.4359 7.4359 7.5238 7.5238 7.6377 7.6377 7.9053 7.9053 8.8086 8.8086 8.8745 8.8745 k = 0.3543 0.5499 0.2659 ( 8546 PWs) bands (ev): -36.2460 -36.2460 -36.2418 -36.2418 -10.6411 -10.6411 -10.6058 -10.6058 -10.2463 -10.2463 -10.0264 -10.0264 1.8519 1.8519 2.3315 2.3315 2.6032 2.6032 2.8071 2.8071 3.1891 3.1891 3.7321 3.7321 4.1467 4.1467 4.2424 4.2424 4.2549 4.2549 4.6986 4.6986 4.7446 4.7446 5.1087 5.1087 6.2381 6.2381 6.9384 6.9384 7.0523 7.0523 7.1653 7.1653 7.4451 7.4451 7.5337 7.5337 7.6471 7.6471 7.9167 7.9167 8.8516 8.8516 8.9318 8.9318 k = 0.3480 0.5596 0.2775 ( 8546 PWs) bands (ev): -36.2462 -36.2462 -36.2416 -36.2416 -10.6325 -10.6325 -10.5917 -10.5917 -10.2603 -10.2603 -10.0252 -10.0252 1.8353 1.8353 2.3584 2.3584 2.5457 2.5457 2.8003 2.8003 3.1771 3.1771 3.6857 3.6857 4.1028 4.1028 4.2008 4.2008 4.2623 4.2623 4.6947 4.6947 4.7534 4.7534 5.1141 5.1141 6.2437 6.2437 6.9753 6.9753 7.0734 7.0734 7.1955 7.1955 7.4553 7.4553 7.5431 7.5431 7.6565 7.6565 7.9278 7.9278 8.8921 8.8921 8.9865 8.9865 k = 0.3416 0.5693 0.2890 ( 8542 PWs) bands (ev): -36.2463 -36.2463 -36.2413 -36.2413 -10.6246 -10.6246 -10.5774 -10.5774 -10.2738 -10.2738 -10.0241 -10.0241 1.8187 1.8187 2.3864 2.3864 2.4877 2.4877 2.7949 2.7949 3.1684 3.1684 3.6396 3.6396 4.0590 4.0590 4.1538 4.1538 4.2763 4.2763 4.6923 4.6923 4.7631 4.7631 5.1190 5.1190 6.2498 6.2498 7.0106 7.0106 7.0919 7.0919 7.2241 7.2241 7.4662 7.4662 7.5521 7.5521 7.6660 7.6660 7.9384 7.9384 8.9298 8.9298 9.0384 9.0384 k = 0.3353 0.5789 0.3006 ( 8538 PWs) bands (ev): -36.2465 -36.2465 -36.2411 -36.2411 -10.6178 -10.6178 -10.5629 -10.5629 -10.2866 -10.2866 -10.0230 -10.0230 1.8022 1.8022 2.4149 2.4149 2.4307 2.4307 2.7908 2.7908 3.1625 3.1625 3.5940 3.5940 4.0154 4.0154 4.1071 4.1071 4.2912 4.2912 4.6916 4.6916 4.7736 4.7736 5.1234 5.1234 6.2561 6.2561 7.0440 7.0440 7.1078 7.1078 7.2509 7.2509 7.4777 7.4777 7.5608 7.5608 7.6756 7.6756 7.9487 7.9487 8.9647 8.9647 9.0874 9.0874 k = 0.3290 0.5886 0.3121 ( 8546 PWs) bands (ev): -36.2467 -36.2467 -36.2409 -36.2409 -10.6125 -10.6125 -10.5483 -10.5483 -10.2983 -10.2983 -10.0220 -10.0220 1.7862 1.7862 2.3732 2.3732 2.4461 2.4461 2.7878 2.7878 3.1591 3.1591 3.5491 3.5491 3.9721 3.9721 4.0608 4.0608 4.3067 4.3067 4.6922 4.6922 4.7848 4.7848 5.1271 5.1271 6.2627 6.2627 7.0755 7.0755 7.1214 7.1214 7.2760 7.2760 7.4895 7.4895 7.5692 7.5692 7.6854 7.6854 7.9585 7.9585 8.9965 8.9965 9.1332 9.1332 k = 0.3226 0.5983 0.3237 ( 8544 PWs) bands (ev): -36.2468 -36.2468 -36.2407 -36.2407 -10.6088 -10.6088 -10.5336 -10.5336 -10.3085 -10.3085 -10.0210 -10.0210 1.7707 1.7707 2.3183 2.3183 2.4774 2.4774 2.7859 2.7859 3.1577 3.1577 3.5051 3.5051 3.9292 3.9292 4.0151 4.0151 4.3230 4.3230 4.6941 4.6941 4.7966 4.7966 5.1301 5.1301 6.2697 6.2697 7.1047 7.1047 7.1330 7.1330 7.2992 7.2992 7.5012 7.5012 7.5773 7.5773 7.6955 7.6955 7.9678 7.9678 9.0254 9.0254 9.1757 9.1757 k = 0.3163 0.6080 0.3353 ( 8552 PWs) bands (ev): -36.2470 -36.2470 -36.2405 -36.2405 -10.6073 -10.6073 -10.5188 -10.5188 -10.3170 -10.3170 -10.0201 -10.0201 1.7562 1.7562 2.2653 2.2653 2.5098 2.5098 2.7849 2.7849 3.1581 3.1581 3.4624 3.4624 3.8867 3.8867 3.9701 3.9701 4.3399 4.3399 4.6971 4.6971 4.8091 4.8091 5.1322 5.1322 6.2768 6.2768 7.1301 7.1301 7.1443 7.1443 7.3205 7.3205 7.5125 7.5125 7.5852 7.5852 7.7057 7.7057 7.9766 7.9766 9.0510 9.0510 9.2149 9.2149 k = 0.3100 0.6176 0.3468 ( 8554 PWs) bands (ev): -36.2472 -36.2472 -36.2402 -36.2402 -10.6083 -10.6083 -10.5040 -10.5040 -10.3234 -10.3234 -10.0193 -10.0193 1.7427 1.7427 2.2147 2.2147 2.5434 2.5434 2.7844 2.7844 3.1602 3.1602 3.4212 3.4212 3.8447 3.8447 3.9257 3.9257 4.3575 4.3575 4.7010 4.7010 4.8223 4.8223 5.1335 5.1335 6.2842 6.2842 7.1451 7.1451 7.1620 7.1620 7.3397 7.3397 7.5229 7.5229 7.5930 7.5930 7.7161 7.7161 7.9848 7.9848 9.0735 9.0735 9.2505 9.2505 k = 0.3036 0.6273 0.3584 ( 8566 PWs) bands (ev): -36.2474 -36.2474 -36.2400 -36.2400 -10.6119 -10.6119 -10.4892 -10.4892 -10.3275 -10.3275 -10.0186 -10.0186 1.7306 1.7306 2.1667 2.1667 2.5780 2.5780 2.7842 2.7842 3.1638 3.1638 3.3819 3.3819 3.8031 3.8031 3.8820 3.8820 4.3758 4.3758 4.7058 4.7058 4.8361 4.8361 5.1339 5.1339 6.2918 6.2918 7.1521 7.1521 7.1839 7.1839 7.3568 7.3568 7.5320 7.5320 7.6007 7.6007 7.7265 7.7265 7.9923 7.9923 9.0928 9.0928 9.2826 9.2826 k = 0.3036 0.6273 0.3584 ( 8566 PWs) bands (ev): -36.2474 -36.2474 -36.2400 -36.2400 -10.6119 -10.6119 -10.4892 -10.4892 -10.3275 -10.3275 -10.0186 -10.0186 1.7306 1.7306 2.1667 2.1667 2.5780 2.5780 2.7842 2.7842 3.1638 3.1638 3.3819 3.3819 3.8031 3.8031 3.8820 3.8820 4.3758 4.3758 4.7058 4.7058 4.8361 4.8361 5.1339 5.1339 6.2918 6.2918 7.1521 7.1521 7.1839 7.1839 7.3568 7.3568 7.5320 7.5320 7.6007 7.6007 7.7265 7.7265 7.9923 7.9923 9.0928 9.0928 9.2826 9.2826 k = 0.2884 0.6232 0.3633 ( 8561 PWs) bands (ev): -36.2475 -36.2475 -36.2399 -36.2399 -10.6154 -10.6154 -10.4823 -10.4823 -10.3279 -10.3279 -10.0184 -10.0184 1.7259 1.7259 2.1461 2.1461 2.5934 2.5934 2.7841 2.7841 3.1672 3.1672 3.3663 3.3663 3.7789 3.7789 3.8708 3.8708 4.3828 4.3828 4.6950 4.6950 4.8547 4.8547 5.1343 5.1343 6.2956 6.2956 7.1540 7.1540 7.1929 7.1929 7.3637 7.3637 7.5348 7.5348 7.6033 7.6033 7.7318 7.7318 7.9951 7.9951 9.0999 9.0999 9.2948 9.2948 k = 0.2733 0.6191 0.3682 ( 8562 PWs) bands (ev): -36.2476 -36.2476 -36.2398 -36.2398 -10.6210 -10.6210 -10.4749 -10.4749 -10.3266 -10.3266 -10.0183 -10.0183 1.7216 1.7216 2.1240 2.1240 2.6098 2.6098 2.7838 2.7838 3.1728 3.1728 3.3521 3.3521 3.7452 3.7452 3.8696 3.8696 4.3879 4.3879 4.6673 4.6673 4.8895 4.8895 5.1357 5.1357 6.3005 6.3005 7.1549 7.1549 7.2016 7.2016 7.3709 7.3709 7.5361 7.5361 7.6048 7.6048 7.7387 7.7387 7.9973 7.9973 9.1061 9.1061 9.3056 9.3056 k = 0.2581 0.6150 0.3731 ( 8557 PWs) bands (ev): -36.2477 -36.2477 -36.2397 -36.2397 -10.6277 -10.6277 -10.4681 -10.4681 -10.3233 -10.3233 -10.0184 -10.0184 1.7178 1.7178 2.1008 2.1008 2.6272 2.6272 2.7832 2.7832 3.1794 3.1794 3.3408 3.3408 3.7076 3.7076 3.8733 3.8733 4.3912 4.3912 4.6323 4.6323 4.9307 4.9307 5.1381 5.1381 6.3063 6.3063 7.1551 7.1551 7.2100 7.2100 7.3783 7.3783 7.5359 7.5359 7.6053 7.6053 7.7470 7.7470 7.9990 7.9990 9.1117 9.1117 9.3149 9.3149 k = 0.2429 0.6109 0.3780 ( 8546 PWs) bands (ev): -36.2478 -36.2478 -36.2395 -36.2395 -10.6352 -10.6352 -10.4625 -10.4625 -10.3180 -10.3180 -10.0186 -10.0186 1.7144 1.7144 2.0769 2.0769 2.6456 2.6456 2.7823 2.7823 3.1851 3.1851 3.3340 3.3340 3.6685 3.6685 3.8792 3.8792 4.3927 4.3927 4.5939 4.5939 4.9741 4.9741 5.1415 5.1415 6.3131 6.3131 7.1545 7.1545 7.2181 7.2181 7.3857 7.3857 7.5340 7.5340 7.6053 7.6053 7.7563 7.7563 8.0001 8.0001 9.1166 9.1166 9.3226 9.3226 k = 0.2277 0.6068 0.3829 ( 8540 PWs) bands (ev): -36.2479 -36.2479 -36.2394 -36.2394 -10.6429 -10.6429 -10.4584 -10.4584 -10.3109 -10.3109 -10.0190 -10.0190 1.7115 1.7115 2.0526 2.0526 2.6649 2.6649 2.7810 2.7810 3.1875 3.1875 3.3340 3.3340 3.6288 3.6288 3.8866 3.8866 4.3925 4.3925 4.5536 4.5536 5.0181 5.0181 5.1458 5.1458 6.3207 6.3207 7.1534 7.1534 7.2259 7.2259 7.3931 7.3931 7.5306 7.5306 7.6051 7.6051 7.7665 7.7665 8.0005 8.0005 9.1211 9.1211 9.3287 9.3287 k = 0.2125 0.6027 0.3877 ( 8535 PWs) bands (ev): -36.2481 -36.2481 -36.2392 -36.2392 -10.6505 -10.6505 -10.4557 -10.4557 -10.3023 -10.3023 -10.0196 -10.0196 1.7091 1.7091 2.0283 2.0283 2.6852 2.6852 2.7795 2.7795 3.1850 3.1850 3.3421 3.3421 3.5891 3.5891 3.8948 3.8948 4.3906 4.3906 4.5121 4.5121 5.0615 5.0615 5.1510 5.1510 6.3288 6.3288 7.1518 7.1518 7.2334 7.2334 7.4002 7.4002 7.5257 7.5257 7.6046 7.6046 7.7773 7.7773 8.0004 8.0004 9.1252 9.1252 9.3332 9.3332 k = 0.1974 0.5986 0.3926 ( 8533 PWs) bands (ev): -36.2482 -36.2482 -36.2391 -36.2391 -10.6581 -10.6581 -10.4543 -10.4543 -10.2924 -10.2924 -10.0204 -10.0204 1.7073 1.7073 2.0041 2.0041 2.7064 2.7064 2.7776 2.7776 3.1778 3.1778 3.3580 3.3580 3.5495 3.5495 3.9037 3.9037 4.3871 4.3871 4.4698 4.4698 5.1033 5.1033 5.1578 5.1578 6.3375 6.3375 7.1498 7.1498 7.2408 7.2408 7.4070 7.4070 7.5197 7.5197 7.6040 7.6040 7.7885 7.7885 7.9997 7.9997 9.1290 9.1290 9.3360 9.3360 k = 0.1822 0.5946 0.3975 ( 8535 PWs) bands (ev): -36.2483 -36.2483 -36.2390 -36.2390 -10.6653 -10.6653 -10.4539 -10.4539 -10.2818 -10.2818 -10.0213 -10.0213 1.7062 1.7062 1.9804 1.9804 2.7284 2.7284 2.7757 2.7757 3.1673 3.1673 3.3802 3.3802 3.5102 3.5102 3.9130 3.9130 4.3818 4.3818 4.4274 4.4274 5.1398 5.1398 5.1691 5.1691 6.3465 6.3465 7.1475 7.1475 7.2481 7.2481 7.4132 7.4132 7.5128 7.5128 7.6034 7.6034 7.8000 7.8000 7.9983 7.9983 9.1327 9.1327 9.3373 9.3373 k = 0.1670 0.5905 0.4024 ( 8537 PWs) bands (ev): -36.2484 -36.2484 -36.2388 -36.2388 -10.6722 -10.6722 -10.4541 -10.4541 -10.2709 -10.2709 -10.0224 -10.0224 1.7058 1.7058 1.9572 1.9572 2.7511 2.7511 2.7738 2.7738 3.1549 3.1549 3.4071 3.4071 3.4713 3.4713 3.9227 3.9227 4.3705 4.3705 4.3894 4.3894 5.1596 5.1596 5.1957 5.1957 6.3556 6.3556 7.1449 7.1449 7.2553 7.2553 7.4186 7.4186 7.5054 7.5054 7.6026 7.6026 7.8117 7.8117 7.9963 7.9963 9.1363 9.1363 9.3370 9.3370 k = 0.1518 0.5864 0.4073 ( 8532 PWs) bands (ev): -36.2486 -36.2486 -36.2387 -36.2387 -10.6786 -10.6786 -10.4549 -10.4549 -10.2599 -10.2599 -10.0237 -10.0237 1.7062 1.7062 1.9347 1.9347 2.7692 2.7692 2.7774 2.7774 3.1418 3.1418 3.4320 3.4320 3.4384 3.4384 3.9326 3.9326 4.3350 4.3350 4.3744 4.3744 5.1689 5.1689 5.2311 5.2311 6.3647 6.3647 7.1422 7.1422 7.2625 7.2625 7.4227 7.4227 7.4982 7.4982 7.6017 7.6017 7.8233 7.8233 7.9937 7.9937 9.1399 9.1399 9.3355 9.3355 k = 0.1366 0.5823 0.4122 ( 8530 PWs) bands (ev): -36.2487 -36.2487 -36.2386 -36.2386 -10.6845 -10.6845 -10.4559 -10.4559 -10.2492 -10.2492 -10.0251 -10.0251 1.7074 1.7074 1.9130 1.9130 2.7687 2.7687 2.8005 2.8005 3.1286 3.1286 3.3949 3.3949 3.4706 3.4706 3.9424 3.9424 4.2917 4.2917 4.3663 4.3663 5.1761 5.1761 5.2661 5.2661 6.3736 6.3736 7.1395 7.1395 7.2699 7.2699 7.4249 7.4249 7.4917 7.4917 7.6007 7.6007 7.8349 7.8349 7.9905 7.9905 9.1435 9.1435 9.3327 9.3327 k = 0.1215 0.5782 0.4171 ( 8532 PWs) bands (ev): -36.2488 -36.2488 -36.2385 -36.2385 -10.6899 -10.6899 -10.4571 -10.4571 -10.2389 -10.2389 -10.0266 -10.0266 1.7095 1.7095 1.8922 1.8922 2.7669 2.7669 2.8256 2.8256 3.1159 3.1159 3.3576 3.3576 3.5054 3.5054 3.9522 3.9522 4.2477 4.2477 4.3585 4.3585 5.1826 5.1826 5.2990 5.2990 6.3821 6.3821 7.1367 7.1367 7.2774 7.2774 7.4245 7.4245 7.4868 7.4868 7.5995 7.5995 7.8464 7.8464 7.9868 7.9868 9.1473 9.1473 9.3290 9.3290 k = 0.1063 0.5741 0.4220 ( 8536 PWs) bands (ev): -36.2488 -36.2488 -36.2384 -36.2384 -10.6948 -10.6948 -10.4583 -10.4583 -10.2293 -10.2293 -10.0282 -10.0282 1.7125 1.7125 1.8724 1.8724 2.7652 2.7652 2.8516 2.8516 3.1041 3.1041 3.3210 3.3210 3.5417 3.5417 3.9616 3.9616 4.2037 4.2037 4.3508 4.3508 5.1886 5.1886 5.3290 5.3290 6.3900 6.3900 7.1341 7.1341 7.2852 7.2852 7.4211 7.4211 7.4840 7.4840 7.5983 7.5983 7.8576 7.8576 7.9825 7.9825 9.1511 9.1511 9.3245 9.3245 k = 0.0911 0.5700 0.4269 ( 8529 PWs) bands (ev): -36.2489 -36.2489 -36.2383 -36.2383 -10.6990 -10.6990 -10.4595 -10.4595 -10.2205 -10.2205 -10.0298 -10.0298 1.7165 1.7165 1.8537 1.8537 2.7637 2.7637 2.8782 2.8782 3.0934 3.0934 3.2853 3.2853 3.5788 3.5788 3.9705 3.9705 4.1600 4.1600 4.3433 4.3433 5.1941 5.1941 5.3559 5.3559 6.3973 6.3973 7.1316 7.1316 7.2934 7.2934 7.4148 7.4148 7.4834 7.4834 7.5970 7.5970 7.8684 7.8684 7.9777 7.9777 9.1549 9.1549 9.3195 9.3195 k = 0.0759 0.5659 0.4318 ( 8529 PWs) bands (ev): -36.2490 -36.2490 -36.2382 -36.2382 -10.7026 -10.7026 -10.4606 -10.4606 -10.2128 -10.2128 -10.0313 -10.0313 1.7214 1.7214 1.8361 1.8361 2.7623 2.7623 2.9052 2.9052 3.0840 3.0840 3.2505 3.2505 3.6163 3.6163 3.9786 3.9786 4.1173 4.1173 4.3362 4.3362 5.1989 5.1989 5.3791 5.3792 6.4038 6.4038 7.1294 7.1294 7.3019 7.3019 7.4063 7.4063 7.4841 7.4841 7.5958 7.5958 7.8788 7.8788 7.9725 7.9725 9.1587 9.1587 9.3144 9.3144 k = 0.0607 0.5618 0.4367 ( 8526 PWs) bands (ev): -36.2490 -36.2490 -36.2382 -36.2382 -10.7056 -10.7056 -10.4616 -10.4616 -10.2062 -10.2062 -10.0327 -10.0327 1.7275 1.7275 1.8196 1.8196 2.7612 2.7612 2.9323 2.9323 3.0761 3.0761 3.2170 3.2170 3.6533 3.6533 3.9857 3.9857 4.0761 4.0761 4.3299 4.3299 5.2030 5.2030 5.3986 5.3986 6.4092 6.4092 7.1274 7.1274 7.3109 7.3109 7.3964 7.3964 7.4856 7.4856 7.5947 7.5947 7.8887 7.8887 7.9670 7.9670 9.1622 9.1622 9.3095 9.3095 k = 0.0455 0.5577 0.4416 ( 8525 PWs) bands (ev): -36.2491 -36.2491 -36.2381 -36.2381 -10.7079 -10.7079 -10.4623 -10.4623 -10.2009 -10.2009 -10.0340 -10.0340 1.7345 1.7345 1.8043 1.8043 2.7604 2.7604 2.9589 2.9589 3.0698 3.0698 3.1854 3.1854 3.6886 3.6886 3.9916 3.9916 4.0376 4.0376 4.3246 4.3246 5.2064 5.2064 5.4139 5.4139 6.4136 6.4136 7.1259 7.1259 7.3203 7.3203 7.3858 7.3858 7.4872 7.4872 7.5937 7.5937 7.8977 7.8977 7.9614 7.9614 9.1653 9.1653 9.3051 9.3051 k = 0.0304 0.5536 0.4465 ( 8523 PWs) bands (ev): -36.2491 -36.2491 -36.2381 -36.2381 -10.7096 -10.7096 -10.4629 -10.4629 -10.1970 -10.1970 -10.0349 -10.0349 1.7425 1.7425 1.7905 1.7905 2.7598 2.7598 2.9839 2.9839 3.0653 3.0653 3.1569 3.1569 3.7198 3.7198 3.9958 3.9958 4.0042 4.0042 4.3206 4.3206 5.2088 5.2088 5.4251 5.4251 6.4168 6.4168 7.1247 7.1247 7.3301 7.3301 7.3748 7.3748 7.4885 7.4885 7.5929 7.5929 7.9055 7.9055 7.9560 7.9560 9.1677 9.1677 9.3016 9.3016 k = 0.0152 0.5495 0.4514 ( 8519 PWs) bands (ev): -36.2491 -36.2491 -36.2381 -36.2381 -10.7106 -10.7106 -10.4633 -10.4633 -10.1946 -10.1946 -10.0355 -10.0355 1.7509 1.7509 1.7785 1.7785 2.7594 2.7594 3.0039 3.0039 3.0625 3.0625 3.1348 3.1348 3.7429 3.7429 3.9795 3.9795 3.9988 3.9988 4.3181 4.3181 5.2102 5.2102 5.4318 5.4318 6.4187 6.4187 7.1240 7.1240 7.3400 7.3400 7.3642 7.3642 7.4894 7.4894 7.5924 7.5924 7.9112 7.9112 7.9517 7.9517 9.1693 9.1693 9.2994 9.2994 k = 0.0000 0.5454 0.4563 ( 8532 PWs) bands (ev): -36.2492 -36.2492 -36.2381 -36.2381 -10.7110 -10.7110 -10.4634 -10.4634 -10.1938 -10.1938 -10.0357 -10.0357 1.7563 1.7563 1.7720 1.7720 2.7593 2.7593 3.0124 3.0124 3.0615 3.0615 3.1257 3.1257 3.7518 3.7518 3.9702 3.9702 3.9997 3.9997 4.3172 4.3172 5.2107 5.2107 5.4340 5.4340 6.4194 6.4194 7.1238 7.1238 7.3467 7.3467 7.3572 7.3572 7.4897 7.4897 7.5922 7.5922 7.9134 7.9134 7.9500 7.9500 9.1699 9.1699 9.2986 9.2986 k = 0.0000 0.5454 0.4563 ( 8532 PWs) bands (ev): -36.2492 -36.2492 -36.2381 -36.2381 -10.7110 -10.7110 -10.4634 -10.4634 -10.1938 -10.1938 -10.0357 -10.0357 1.7563 1.7563 1.7720 1.7720 2.7593 2.7593 3.0124 3.0124 3.0615 3.0615 3.1257 3.1257 3.7518 3.7518 3.9702 3.9702 3.9997 3.9997 4.3172 4.3172 5.2107 5.2107 5.4340 5.4340 6.4194 6.4194 7.1238 7.1238 7.3467 7.3467 7.3572 7.3572 7.4897 7.4897 7.5922 7.5922 7.9134 7.9134 7.9500 7.9500 9.1699 9.1699 9.2986 9.2986 k = 0.0064 0.5356 0.4680 ( 8526 PWs) bands (ev): -36.2491 -36.2491 -36.2381 -36.2381 -10.7105 -10.7105 -10.4632 -10.4632 -10.1938 -10.1938 -10.0359 -10.0359 1.7560 1.7560 1.7713 1.7713 2.7591 2.7591 2.9857 2.9857 3.0878 3.0878 3.1240 3.1240 3.7508 3.7508 3.9173 3.9173 4.0528 4.0528 4.3131 4.3131 5.2115 5.2115 5.4317 5.4317 6.4219 6.4219 7.1242 7.1242 7.3488 7.3488 7.3579 7.3579 7.4902 7.4902 7.5925 7.5925 7.9168 7.9168 7.9531 7.9531 9.1705 9.1705 9.2993 9.2993 k = 0.0128 0.5259 0.4797 ( 8524 PWs) bands (ev): -36.2491 -36.2491 -36.2381 -36.2381 -10.7091 -10.7091 -10.4625 -10.4625 -10.1938 -10.1938 -10.0365 -10.0365 1.7553 1.7553 1.7693 1.7693 2.7586 2.7586 2.9438 2.9438 3.1175 3.1175 3.1303 3.1303 3.7477 3.7477 3.8525 3.8525 4.1183 4.1183 4.3009 4.3009 5.2137 5.2137 5.4246 5.4246 6.4295 6.4295 7.1257 7.1257 7.3546 7.3546 7.3602 7.3602 7.4915 7.4915 7.5934 7.5934 7.9269 7.9269 7.9625 7.9625 9.1725 9.1725 9.3015 9.3015 k = 0.0192 0.5161 0.4914 ( 8528 PWs) bands (ev): -36.2491 -36.2491 -36.2381 -36.2381 -10.7069 -10.7069 -10.4615 -10.4615 -10.1937 -10.1937 -10.0375 -10.0375 1.7540 1.7540 1.7660 1.7660 2.7577 2.7577 2.9001 2.9001 3.1094 3.1094 3.1721 3.1722 3.7422 3.7422 3.7877 3.7877 4.1842 4.1842 4.2814 4.2814 5.2173 5.2173 5.4133 5.4133 6.4419 6.4419 7.1282 7.1282 7.3611 7.3611 7.3663 7.3663 7.4938 7.4938 7.5948 7.5948 7.9439 7.9439 7.9781 7.9781 9.1759 9.1759 9.3053 9.3053 k = 0.0256 0.5063 0.5031 ( 8524 PWs) bands (ev): -36.2491 -36.2491 -36.2381 -36.2381 -10.7037 -10.7037 -10.4600 -10.4600 -10.1936 -10.1936 -10.0389 -10.0389 1.7522 1.7522 1.7613 1.7613 2.7564 2.7564 2.8561 2.8561 3.0976 3.0976 3.2142 3.2142 3.7223 3.7223 3.7356 3.7356 4.2457 4.2457 4.2597 4.2597 5.2222 5.2222 5.3980 5.3980 6.4587 6.4587 7.1322 7.1322 7.3659 7.3659 7.3775 7.3775 7.4969 7.4969 7.5968 7.5968 7.9679 7.9679 7.9994 7.9994 9.1807 9.1807 9.3106 9.3106 k = 0.0321 0.4965 0.5148 ( 8524 PWs) bands (ev): -36.2490 -36.2490 -36.2382 -36.2382 -10.6996 -10.6996 -10.4581 -10.4581 -10.1935 -10.1935 -10.0406 -10.0406 1.7498 1.7498 1.7551 1.7551 2.7546 2.7546 2.8125 2.8125 3.0828 3.0828 3.2554 3.2554 3.6594 3.6594 3.7244 3.7244 4.2227 4.2227 4.3168 4.3168 5.2285 5.2285 5.3793 5.3793 6.4798 6.4798 7.1376 7.1376 7.3709 7.3709 7.3907 7.3907 7.5010 7.5010 7.5993 7.5993 7.9987 7.9987 8.0262 8.0262 9.1872 9.1872 9.3176 9.3176 k = 0.0385 0.4867 0.5265 ( 8518 PWs) bands (ev): -36.2489 -36.2489 -36.2382 -36.2382 -10.6947 -10.6947 -10.4558 -10.4558 -10.1933 -10.1933 -10.0427 -10.0427 1.7467 1.7467 1.7476 1.7476 2.7517 2.7517 2.7697 2.7697 3.0655 3.0655 3.2950 3.2950 3.5970 3.5970 3.7107 3.7107 4.1879 4.1879 4.3816 4.3816 5.2360 5.2360 5.3580 5.3580 6.5045 6.5045 7.1447 7.1447 7.3764 7.3764 7.4043 7.4043 7.5059 7.5059 7.6025 7.6025 8.0362 8.0362 8.0581 8.0581 9.1954 9.1954 9.3265 9.3265 k = 0.0449 0.4769 0.5382 ( 8510 PWs) bands (ev): -36.2489 -36.2489 -36.2382 -36.2382 -10.6889 -10.6889 -10.4531 -10.4531 -10.1932 -10.1932 -10.0452 -10.0452 1.7384 1.7384 1.7432 1.7432 2.7260 2.7260 2.7497 2.7497 3.0461 3.0461 3.3328 3.3328 3.5358 3.5358 3.6931 3.6931 4.1511 4.1511 4.4455 4.4455 5.2448 5.2448 5.3347 5.3347 6.5325 6.5325 7.1534 7.1534 7.3823 7.3823 7.4175 7.4175 7.5117 7.5117 7.6062 7.6062 8.0798 8.0798 8.0944 8.0944 9.2056 9.2056 9.3372 9.3372 k = 0.0513 0.4671 0.5499 ( 8510 PWs) bands (ev): -36.2488 -36.2488 -36.2383 -36.2383 -10.6823 -10.6823 -10.4501 -10.4501 -10.1930 -10.1930 -10.0481 -10.0481 1.7277 1.7277 1.7388 1.7388 2.6845 2.6845 2.7454 2.7454 3.0251 3.0251 3.3681 3.3681 3.4764 3.4764 3.6709 3.6709 4.1147 4.1147 4.5080 4.5080 5.2548 5.2548 5.3103 5.3103 6.5633 6.5633 7.1637 7.1637 7.3884 7.3884 7.4298 7.4298 7.5184 7.5184 7.6105 7.6105 8.1287 8.1287 8.1346 8.1346 9.2181 9.2181 9.3502 9.3502 k = 0.0577 0.4573 0.5615 ( 8518 PWs) bands (ev): -36.2487 -36.2487 -36.2383 -36.2383 -10.6749 -10.6749 -10.4467 -10.4467 -10.1929 -10.1929 -10.0513 -10.0513 1.7154 1.7154 1.7336 1.7336 2.6436 2.6436 2.7402 2.7402 3.0026 3.0026 3.4000 3.4000 3.4193 3.4193 3.6435 3.6435 4.0807 4.0807 4.5684 4.5684 5.2659 5.2659 5.2859 5.2859 6.5965 6.5965 7.1756 7.1756 7.3948 7.3948 7.4408 7.4408 7.5259 7.5259 7.6153 7.6153 8.1770 8.1770 8.1826 8.1826 9.2332 9.2332 9.3655 9.3655 k = 0.0641 0.4476 0.5732 ( 8522 PWs) bands (ev): -36.2486 -36.2486 -36.2384 -36.2384 -10.6667 -10.6667 -10.4429 -10.4429 -10.1927 -10.1927 -10.0549 -10.0549 1.7015 1.7015 1.7275 1.7275 2.6038 2.6038 2.7338 2.7338 2.9792 2.9792 3.3637 3.3637 3.4292 3.4292 3.6106 3.6106 4.0510 4.0510 4.6259 4.6259 5.2615 5.2615 5.2795 5.2795 6.6317 6.6317 7.1888 7.1888 7.4012 7.4012 7.4506 7.4506 7.5343 7.5343 7.6206 7.6206 8.2225 8.2225 8.2388 8.2388 9.2513 9.2513 9.3833 9.3833 k = 0.0705 0.4378 0.5849 ( 8526 PWs) bands (ev): -36.2485 -36.2485 -36.2385 -36.2385 -10.6578 -10.6578 -10.4388 -10.4388 -10.1926 -10.1926 -10.0588 -10.0588 1.6858 1.6858 1.7205 1.7205 2.5651 2.5651 2.7259 2.7259 2.9549 2.9549 3.3120 3.3120 3.4525 3.4525 3.5728 3.5728 4.0271 4.0271 4.6792 4.6792 5.2408 5.2408 5.2932 5.2932 6.6685 6.6685 7.2032 7.2032 7.4076 7.4076 7.4592 7.4592 7.5435 7.5435 7.6265 7.6265 8.2692 8.2692 8.2968 8.2968 9.2729 9.2729 9.4040 9.4040 k = 0.0769 0.4280 0.5966 ( 8534 PWs) bands (ev): -36.2484 -36.2484 -36.2386 -36.2386 -10.6482 -10.6482 -10.4344 -10.4344 -10.1926 -10.1926 -10.0631 -10.0631 1.6684 1.6684 1.7123 1.7123 2.5276 2.5276 2.7165 2.7165 2.9297 2.9297 3.2640 3.2640 3.4657 3.4657 3.5352 3.5352 4.0096 4.0096 4.7264 4.7264 5.2244 5.2244 5.3086 5.3086 6.7066 6.7066 7.2187 7.2187 7.4141 7.4141 7.4667 7.4667 7.5534 7.5534 7.6329 7.6329 8.3163 8.3163 8.3552 8.3552 9.2984 9.2984 9.4278 9.4278 k = 0.0833 0.4182 0.6083 ( 8532 PWs) bands (ev): -36.2482 -36.2482 -36.2386 -36.2386 -10.6378 -10.6378 -10.4297 -10.4297 -10.1926 -10.1926 -10.0676 -10.0676 1.6493 1.6493 1.7030 1.7030 2.4915 2.4915 2.7055 2.7055 2.9034 2.9034 3.2206 3.2206 3.4497 3.4497 3.5174 3.5174 3.9987 3.9987 4.7653 4.7653 5.2151 5.2151 5.3255 5.3255 6.7457 6.7457 7.2351 7.2351 7.4205 7.4205 7.4734 7.4734 7.5640 7.5640 7.6399 7.6399 8.3632 8.3632 8.4124 8.4124 9.3282 9.3282 9.4548 9.4548 k = 0.0897 0.4084 0.6200 ( 8532 PWs) bands (ev): -36.2481 -36.2481 -36.2387 -36.2387 -10.6269 -10.6269 -10.4248 -10.4248 -10.1926 -10.1926 -10.0724 -10.0724 1.6285 1.6285 1.6924 1.6924 2.4569 2.4569 2.6930 2.6930 2.8758 2.8758 3.1825 3.1825 3.4039 3.4039 3.5211 3.5211 3.9938 3.9938 4.7932 4.7932 5.2154 5.2154 5.3439 5.3439 6.7854 6.7854 7.2521 7.2521 7.4269 7.4269 7.4793 7.4793 7.5751 7.5751 7.6473 7.6473 8.4090 8.4090 8.4673 8.4673 9.3629 9.3629 9.4852 9.4852 k = 0.0962 0.3986 0.6317 ( 8538 PWs) bands (ev): -36.2479 -36.2479 -36.2388 -36.2388 -10.6154 -10.6154 -10.4196 -10.4196 -10.1928 -10.1928 -10.0776 -10.0776 1.6062 1.6062 1.6804 1.6804 2.4238 2.4238 2.6790 2.6790 2.8465 2.8465 3.1502 3.1502 3.3492 3.3492 3.5268 3.5268 3.9943 3.9943 4.8084 4.8084 5.2273 5.2273 5.3638 5.3638 6.8254 6.8254 7.2695 7.2695 7.4332 7.4332 7.4848 7.4848 7.5868 7.5868 7.6551 7.6551 8.4531 8.4531 8.5188 8.5188 9.4027 9.4027 9.5191 9.5191 k = 0.1026 0.3888 0.6434 ( 8540 PWs) bands (ev): -36.2478 -36.2478 -36.2389 -36.2389 -10.6033 -10.6033 -10.4141 -10.4141 -10.1930 -10.1930 -10.0830 -10.0830 1.5823 1.5823 1.6669 1.6669 2.3924 2.3924 2.6639 2.6639 2.8155 2.8155 3.1239 3.1239 3.2916 3.2916 3.5300 3.5300 3.9991 3.9991 4.8111 4.8111 5.2506 5.2506 5.3852 5.3852 6.8656 6.8656 7.2872 7.2872 7.4395 7.4395 7.4899 7.4899 7.5989 7.5989 7.6635 7.6635 8.4949 8.4949 8.5661 8.5661 9.4476 9.4476 9.5566 9.5566 k = 0.1090 0.3791 0.6551 ( 8536 PWs) bands (ev): -36.2476 -36.2476 -36.2390 -36.2390 -10.5907 -10.5907 -10.4084 -10.4084 -10.1934 -10.1934 -10.0886 -10.0886 1.5570 1.5570 1.6518 1.6518 2.3627 2.3627 2.6478 2.6478 2.7830 2.7830 3.1036 3.1036 3.2332 3.2332 3.5300 3.5300 4.0073 4.0073 4.8032 4.8032 5.2833 5.2833 5.4079 5.4079 6.9056 6.9056 7.3048 7.3048 7.4459 7.4459 7.4948 7.4948 7.6115 7.6115 7.6722 7.6722 8.5340 8.5340 8.6086 8.6086 9.4974 9.4974 9.5975 9.5975 k = 0.1154 0.3693 0.6668 ( 8538 PWs) bands (ev): -36.2474 -36.2474 -36.2392 -36.2392 -10.5777 -10.5777 -10.4025 -10.4025 -10.1940 -10.1940 -10.0945 -10.0945 1.5306 1.5306 1.6350 1.6350 2.3348 2.3348 2.6308 2.6308 2.7495 2.7495 3.0887 3.0887 3.1751 3.1751 3.5270 3.5270 4.0180 4.0180 4.7877 4.7877 5.3225 5.3225 5.4320 5.4320 6.9453 6.9453 7.3221 7.3221 7.4522 7.4522 7.4997 7.4997 7.6244 7.6244 7.6814 7.6814 8.5701 8.5701 8.6463 8.6463 9.5517 9.5517 9.6417 9.6417 k = 0.1218 0.3595 0.6785 ( 8540 PWs) bands (ev): -36.2473 -36.2473 -36.2393 -36.2393 -10.5643 -10.5643 -10.3965 -10.3965 -10.1947 -10.1947 -10.1006 -10.1006 1.5033 1.5033 1.6165 1.6165 2.3089 2.3089 2.6130 2.6130 2.7161 2.7161 3.0783 3.0783 3.1184 3.1184 3.5215 3.5215 4.0305 4.0305 4.7671 4.7671 5.3656 5.3656 5.4572 5.4572 6.9844 6.9844 7.3389 7.3389 7.4585 7.4585 7.5047 7.5047 7.6376 7.6376 7.6909 7.6909 8.6031 8.6031 8.6791 8.6791 9.6097 9.6097 9.6886 9.6886 k = 0.1282 0.3497 0.6902 ( 8544 PWs) bands (ev): -36.2471 -36.2471 -36.2394 -36.2394 -10.5506 -10.5506 -10.3903 -10.3903 -10.1956 -10.1956 -10.1069 -10.1069 1.4753 1.4753 1.5963 1.5963 2.2849 2.2849 2.5941 2.5941 2.6838 2.6838 3.0620 3.0620 3.0733 3.0733 3.5139 3.5139 4.0440 4.0440 4.7431 4.7431 5.4107 5.4107 5.4836 5.4836 7.0226 7.0226 7.3549 7.3549 7.4649 7.4649 7.5101 7.5101 7.6510 7.6510 7.7008 7.7008 8.6330 8.6330 8.7075 8.7075 9.6706 9.6706 9.7380 9.7380 k = 0.1346 0.3399 0.7019 ( 8544 PWs) bands (ev): -36.2469 -36.2469 -36.2395 -36.2395 -10.5365 -10.5365 -10.3839 -10.3839 -10.1968 -10.1968 -10.1134 -10.1134 1.4468 1.4468 1.5744 1.5744 2.2629 2.2629 2.5733 2.5733 2.6541 2.6541 3.0100 3.0100 3.0695 3.0695 3.5045 3.5045 4.0582 4.0582 4.7172 4.7172 5.4565 5.4565 5.5108 5.5108 7.0599 7.0599 7.3699 7.3699 7.4711 7.4711 7.5159 7.5159 7.6646 7.6646 7.7109 7.7109 8.6600 8.6600 8.7319 8.7319 9.7335 9.7335 9.7893 9.7893 k = 0.1410 0.3301 0.7136 ( 8546 PWs) bands (ev): -36.2467 -36.2467 -36.2397 -36.2397 -10.5223 -10.5223 -10.3774 -10.3774 -10.1982 -10.1982 -10.1201 -10.1201 1.4183 1.4183 1.5510 1.5510 2.2429 2.2429 2.5499 2.5499 2.6283 2.6283 2.9599 2.9599 3.0691 3.0691 3.4937 3.4937 4.0725 4.0725 4.6901 4.6901 5.5018 5.5018 5.5387 5.5387 7.0961 7.0961 7.3836 7.3836 7.4773 7.4773 7.5224 7.5224 7.6784 7.6784 7.7212 7.7212 8.6840 8.6840 8.7527 8.7527 9.7974 9.7974 9.8418 9.8418 k = 0.1474 0.3203 0.7253 ( 8542 PWs) bands (ev): -36.2465 -36.2465 -36.2398 -36.2398 -10.5078 -10.5078 -10.3708 -10.3708 -10.1999 -10.1999 -10.1270 -10.1270 1.3899 1.3899 1.5262 1.5262 2.2248 2.2248 2.5238 2.5238 2.6069 2.6069 2.9126 2.9126 3.0709 3.0709 3.4817 3.4817 4.0869 4.0869 4.6626 4.6626 5.5461 5.5461 5.5671 5.5671 7.1308 7.1308 7.3960 7.3960 7.4834 7.4834 7.5296 7.5296 7.6921 7.6921 7.7317 7.7317 8.7055 8.7055 8.7704 8.7704 9.8615 9.8615 9.8951 9.8951 k = 0.1538 0.3106 0.7370 ( 8550 PWs) bands (ev): -36.2463 -36.2463 -36.2400 -36.2400 -10.4933 -10.4933 -10.3641 -10.3641 -10.2019 -10.2019 -10.1339 -10.1339 1.3621 1.3621 1.5003 1.5003 2.2088 2.2088 2.4956 2.4956 2.5897 2.5897 2.8685 2.8685 3.0746 3.0746 3.4689 3.4689 4.1010 4.1010 4.6350 4.6350 5.5887 5.5887 5.5959 5.5959 7.1641 7.1641 7.4068 7.4068 7.4895 7.4895 7.5375 7.5375 7.7058 7.7058 7.7422 7.7422 8.7245 8.7245 8.7854 8.7854 9.9248 9.9248 9.9486 9.9486 k = 0.1603 0.3008 0.7487 ( 8542 PWs) bands (ev): -36.2461 -36.2461 -36.2401 -36.2401 -10.4787 -10.4787 -10.3573 -10.3573 -10.2043 -10.2043 -10.1410 -10.1410 1.3350 1.3350 1.4734 1.4734 2.1946 2.1946 2.4665 2.4665 2.5757 2.5757 2.8275 2.8275 3.0799 3.0799 3.4552 3.4552 4.1149 4.1149 4.6077 4.6077 5.6241 5.6241 5.6298 5.6298 7.1957 7.1957 7.4162 7.4162 7.4954 7.4954 7.5459 7.5459 7.7193 7.7193 7.7528 7.7528 8.7414 8.7414 8.7981 8.7981 9.9866 9.9866 10.0015 10.0015 k = 0.1667 0.2910 0.7604 ( 8544 PWs) bands (ev): -36.2458 -36.2458 -36.2403 -36.2403 -10.4641 -10.4641 -10.3504 -10.3504 -10.2070 -10.2070 -10.1483 -10.1483 1.3091 1.3091 1.4458 1.4458 2.1823 2.1823 2.4373 2.4373 2.5642 2.5642 2.7897 2.7897 3.0865 3.0865 3.4410 3.4410 4.1284 4.1284 4.5807 4.5807 5.6527 5.6527 5.6681 5.6681 7.2254 7.2254 7.4242 7.4242 7.5014 7.5014 7.5548 7.5548 7.7326 7.7326 7.7632 7.7632 8.7564 8.7564 8.8089 8.8089 10.0463 10.0463 10.0535 10.0535 k = 0.1731 0.2812 0.7721 ( 8546 PWs) bands (ev): -36.2456 -36.2456 -36.2405 -36.2405 -10.4495 -10.4495 -10.3435 -10.3435 -10.2101 -10.2101 -10.1556 -10.1556 1.2846 1.2846 1.4180 1.4180 2.1718 2.1718 2.4087 2.4087 2.5547 2.5547 2.7551 2.7551 3.0943 3.0943 3.4264 3.4264 4.1417 4.1417 4.5544 4.5544 5.6806 5.6806 5.7039 5.7039 7.2531 7.2531 7.4308 7.4308 7.5075 7.5075 7.5637 7.5637 7.7456 7.7456 7.7734 7.7734 8.7697 8.7697 8.8180 8.8180 10.1032 10.1032 10.1039 10.1039 k = 0.1795 0.2714 0.7838 ( 8548 PWs) bands (ev): -36.2454 -36.2454 -36.2407 -36.2407 -10.4351 -10.4351 -10.3366 -10.3366 -10.2136 -10.2136 -10.1629 -10.1629 1.2618 1.2618 1.3901 1.3901 2.1631 2.1631 2.3811 2.3811 2.5468 2.5468 2.7236 2.7236 3.1030 3.1030 3.4113 3.4113 4.1547 4.1547 4.5287 4.5287 5.7078 5.7078 5.7370 5.7370 7.2787 7.2787 7.4363 7.4363 7.5139 7.5139 7.5725 7.5725 7.7582 7.7582 7.7833 7.7833 8.7815 8.7815 8.8256 8.8256 10.1522 10.1522 10.1570 10.1570 k = 0.1859 0.2616 0.7955 ( 8544 PWs) bands (ev): -36.2452 -36.2452 -36.2408 -36.2408 -10.4208 -10.4208 -10.3297 -10.3297 -10.2175 -10.2175 -10.1704 -10.1704 1.2408 1.2408 1.3626 1.3626 2.1560 2.1560 2.3547 2.3547 2.5403 2.5403 2.6950 2.6950 3.1127 3.1127 3.3961 3.3961 4.1675 4.1675 4.5039 4.5039 5.7340 5.7340 5.7672 5.7672 7.3021 7.3021 7.4407 7.4407 7.5205 7.5205 7.5808 7.5808 7.7701 7.7701 7.7928 7.7928 8.7920 8.7920 8.8319 8.8319 10.1981 10.1981 10.2070 10.2070 k = 0.1923 0.2518 0.8072 ( 8538 PWs) bands (ev): -36.2449 -36.2449 -36.2410 -36.2410 -10.4068 -10.4068 -10.3228 -10.3228 -10.2218 -10.2218 -10.1779 -10.1779 1.2220 1.2220 1.3358 1.3358 2.1507 2.1507 2.3296 2.3296 2.5351 2.5351 2.6694 2.6694 3.1231 3.1231 3.3806 3.3806 4.1802 4.1802 4.4799 4.4799 5.7590 5.7590 5.7943 5.7943 7.3231 7.3231 7.4443 7.4443 7.5274 7.5274 7.5885 7.5885 7.7815 7.7815 7.8017 7.8017 8.8013 8.8013 8.8371 8.8371 10.2411 10.2411 10.2530 10.2530 k = 0.1987 0.2420 0.8189 ( 8536 PWs) bands (ev): -36.2447 -36.2447 -36.2412 -36.2412 -10.3931 -10.3931 -10.3160 -10.3160 -10.2265 -10.2265 -10.1854 -10.1854 1.2056 1.2056 1.3100 1.3100 2.1469 2.1469 2.3061 2.3061 2.5311 2.5311 2.6465 2.6465 3.1343 3.1343 3.3650 3.3650 4.1929 4.1929 4.4567 4.4567 5.7825 5.7825 5.8183 5.8183 7.3417 7.3417 7.4470 7.4470 7.5345 7.5345 7.5953 7.5953 7.7920 7.7920 7.8100 7.8100 8.8095 8.8095 8.8413 8.8413 10.2809 10.2809 10.2946 10.2946 k = 0.2051 0.2323 0.8306 ( 8542 PWs) bands (ev): -36.2445 -36.2445 -36.2414 -36.2414 -10.3797 -10.3797 -10.3093 -10.3093 -10.2315 -10.2315 -10.1929 -10.1929 1.1916 1.1916 1.2855 1.2855 2.1448 2.1448 2.2840 2.2840 2.5283 2.5283 2.6261 2.6261 3.1460 3.1460 3.3493 3.3493 4.2056 4.2056 4.4345 4.4345 5.8043 5.8043 5.8390 5.8390 7.3578 7.3578 7.4491 7.4491 7.5419 7.5419 7.6013 7.6013 7.8017 7.8017 7.8176 7.8176 8.8167 8.8167 8.8446 8.8446 10.3171 10.3171 10.3315 10.3315 k = 0.2115 0.2225 0.8423 ( 8540 PWs) bands (ev): -36.2443 -36.2443 -36.2416 -36.2416 -10.3668 -10.3668 -10.3030 -10.3030 -10.2366 -10.2366 -10.2003 -10.2003 1.1802 1.1802 1.2626 1.2626 2.1443 2.1443 2.2635 2.2635 2.5266 2.5266 2.6081 2.6081 3.1584 3.1584 3.3336 3.3336 4.2185 4.2185 4.4132 4.4132 5.8241 5.8241 5.8565 5.8565 7.3716 7.3716 7.4507 7.4507 7.5492 7.5492 7.6062 7.6062 7.8103 7.8103 7.8244 7.8244 8.8231 8.8231 8.8471 8.8471 10.3493 10.3493 10.3636 10.3636 k = 0.2179 0.2127 0.8540 ( 8532 PWs) bands (ev): -36.2440 -36.2440 -36.2418 -36.2418 -10.3543 -10.3543 -10.2973 -10.2973 -10.2417 -10.2417 -10.2078 -10.2078 1.1716 1.1716 1.2416 1.2416 2.1454 2.1454 2.2447 2.2447 2.5260 2.5260 2.5923 2.5923 3.1712 3.1712 3.3179 3.3179 4.2316 4.2316 4.3928 4.3928 5.8419 5.8419 5.8707 5.8707 7.3831 7.3831 7.4517 7.4517 7.5563 7.5563 7.6100 7.6100 7.8179 7.8179 7.8302 7.8302 8.8287 8.8287 8.8487 8.8487 10.3774 10.3774 10.3907 10.3907 k = 0.2244 0.2029 0.8657 ( 8530 PWs) bands (ev): -36.2438 -36.2438 -36.2420 -36.2420 -10.3423 -10.3423 -10.2927 -10.2927 -10.2463 -10.2463 -10.2151 -10.2151 1.1659 1.1659 1.2227 1.2227 2.1481 2.1481 2.2274 2.2274 2.5265 2.5265 2.5786 2.5786 3.1845 3.1845 3.3023 3.3023 4.2450 4.2450 4.3733 4.3733 5.8574 5.8574 5.8817 5.8817 7.3924 7.3924 7.4523 7.4523 7.5629 7.5629 7.6128 7.6128 7.8243 7.8243 7.8350 7.8350 8.8336 8.8336 8.8497 8.8497 10.4011 10.4011 10.4126 10.4126 k = 0.2308 0.1931 0.8774 ( 8530 PWs) bands (ev): -36.2436 -36.2436 -36.2422 -36.2422 -10.3310 -10.3310 -10.2901 -10.2901 -10.2492 -10.2492 -10.2222 -10.2222 1.1630 1.1630 1.2061 1.2061 2.1524 2.1524 2.2118 2.2118 2.5282 2.5282 2.5668 2.5668 3.1982 3.1982 3.2869 3.2869 4.2588 4.2588 4.3547 4.3547 5.8704 5.8704 5.8894 5.8894 7.3995 7.3995 7.4527 7.4527 7.5686 7.5686 7.6147 7.6147 7.8294 7.8294 7.8388 7.8388 8.8377 8.8377 8.8500 8.8500 10.4202 10.4202 10.4293 10.4293 k = 0.2372 0.1833 0.8891 ( 8530 PWs) bands (ev): -36.2433 -36.2433 -36.2424 -36.2424 -10.3205 -10.3205 -10.2907 -10.2907 -10.2497 -10.2497 -10.2291 -10.2291 1.1630 1.1630 1.1921 1.1921 2.1582 2.1582 2.1978 2.1978 2.5311 2.5311 2.5568 2.5568 3.2122 3.2122 3.2715 3.2715 4.2732 4.2732 4.3369 4.3369 5.8808 5.8808 5.8938 5.8938 7.4046 7.4046 7.4528 7.4528 7.5731 7.5731 7.6159 7.6159 7.8332 7.8332 7.8415 7.8415 8.8411 8.8411 8.8498 8.8498 10.4344 10.4344 10.4408 10.4408 k = 0.2436 0.1735 0.9008 ( 8534 PWs) bands (ev): -36.2431 -36.2431 -36.2427 -36.2427 -10.3110 -10.3110 -10.2946 -10.2946 -10.2475 -10.2475 -10.2353 -10.2353 1.1660 1.1660 1.1806 1.1806 2.1657 2.1657 2.1855 2.1855 2.5350 2.5350 2.5486 2.5486 3.2266 3.2266 3.2564 3.2564 4.2880 4.2880 4.3199 4.3199 5.8884 5.8884 5.8952 5.8952 7.4077 7.4077 7.4528 7.4528 7.5760 7.5760 7.6164 7.6164 7.8355 7.8355 7.8431 7.8431 8.8437 8.8437 8.8490 8.8490 10.4437 10.4437 10.4470 10.4470 k = 0.2500 0.1638 0.9125 ( 8540 PWs) bands (ev): -36.2429 -36.2429 -36.2429 -36.2429 -10.3050 -10.3050 -10.2989 -10.2989 -10.2450 -10.2450 -10.2389 -10.2389 1.1711 1.1711 1.1726 1.1726 2.1743 2.1743 2.1753 2.1753 2.5383 2.5383 2.5438 2.5438 3.2398 3.2398 3.2430 3.2430 4.3023 4.3023 4.3049 4.3049 5.8924 5.8924 5.8942 5.8942 7.4087 7.4087 7.4528 7.4528 7.5770 7.5770 7.6165 7.6165 7.8362 7.8362 7.8436 7.8436 8.8448 8.8448 8.8485 8.8485 10.4478 10.4478 10.4480 10.4480 k = 0.2500 0.1638 0.9125 ( 8540 PWs) bands (ev): -36.2429 -36.2429 -36.2429 -36.2429 -10.3050 -10.3050 -10.2989 -10.2989 -10.2450 -10.2450 -10.2389 -10.2389 1.1711 1.1711 1.1726 1.1726 2.1743 2.1743 2.1753 2.1753 2.5383 2.5383 2.5438 2.5438 3.2398 3.2398 3.2430 3.2430 4.3023 4.3023 4.3049 4.3049 5.8924 5.8924 5.8942 5.8942 7.4087 7.4087 7.4528 7.4528 7.5770 7.5770 7.6165 7.6165 7.8362 7.8362 7.8436 7.8436 8.8448 8.8448 8.8485 8.8485 10.4478 10.4478 10.4480 10.4480 k = 0.2614 0.1712 0.9036 ( 8532 PWs) bands (ev): -36.2430 -36.2430 -36.2428 -36.2428 -10.3071 -10.3071 -10.2972 -10.2972 -10.2461 -10.2461 -10.2376 -10.2376 1.1680 1.1680 1.1760 1.1760 2.1703 2.1703 2.1808 2.1808 2.5367 2.5367 2.5456 2.5456 3.2347 3.2347 3.2500 3.2500 4.2938 4.2938 4.3108 4.3108 5.8911 5.8911 5.8950 5.8950 7.4079 7.4079 7.4518 7.4518 7.5777 7.5777 7.6170 7.6170 7.8360 7.8360 7.8434 7.8434 8.8450 8.8450 8.8495 8.8495 10.4463 10.4463 10.4481 10.4481 k = 0.2727 0.1786 0.8947 ( 8538 PWs) bands (ev): -36.2431 -36.2431 -36.2427 -36.2427 -10.3105 -10.3105 -10.2948 -10.2948 -10.2482 -10.2482 -10.2349 -10.2349 1.1644 1.1644 1.1804 1.1804 2.1673 2.1673 2.1880 2.1880 2.5335 2.5335 2.5490 2.5490 3.2313 3.2313 3.2593 3.2593 4.2819 4.2819 4.3147 4.3147 5.8888 5.8888 5.8957 5.8957 7.4056 7.4056 7.4486 7.4486 7.5798 7.5798 7.6183 7.6183 7.8354 7.8354 7.8428 7.8428 8.8453 8.8453 8.8525 8.8525 10.4433 10.4433 10.4466 10.4466 k = 0.2841 0.1861 0.8858 ( 8536 PWs) bands (ev): -36.2432 -36.2432 -36.2426 -36.2426 -10.3140 -10.3140 -10.2929 -10.2929 -10.2504 -10.2504 -10.2320 -10.2320 1.1612 1.1612 1.1851 1.1851 2.1659 2.1659 2.1964 2.1964 2.5300 2.5300 2.5530 2.5530 3.2308 3.2308 3.2697 3.2697 4.2679 4.2679 4.3155 4.3155 5.8859 5.8859 5.8958 5.8958 7.4018 7.4018 7.4434 7.4434 7.5831 7.5831 7.6203 7.6203 7.8344 7.8344 7.8419 7.8419 8.8460 8.8460 8.8573 8.8573 10.4389 10.4389 10.4436 10.4436 k = 0.2955 0.1935 0.8769 ( 8532 PWs) bands (ev): -36.2433 -36.2433 -36.2425 -36.2425 -10.3173 -10.3173 -10.2913 -10.2913 -10.2526 -10.2526 -10.2291 -10.2291 1.1585 1.1585 1.1901 1.1901 2.1658 2.1658 2.2058 2.2058 2.5264 2.5264 2.5574 2.5574 3.2332 3.2332 3.2812 3.2812 4.2518 4.2518 4.3133 4.3133 5.8826 5.8826 5.8953 5.8953 7.3969 7.3969 7.4365 7.4365 7.5874 7.5874 7.6229 7.6229 7.8330 7.8330 7.8405 7.8405 8.8472 8.8472 8.8635 8.8635 10.4331 10.4331 10.4391 10.4391 k = 0.3068 0.2010 0.8680 ( 8534 PWs) bands (ev): -36.2434 -36.2434 -36.2424 -36.2424 -10.3204 -10.3204 -10.2901 -10.2901 -10.2546 -10.2546 -10.2267 -10.2267 1.1565 1.1565 1.1954 1.1954 2.1669 2.1669 2.2159 2.2159 2.5228 2.5228 2.5622 2.5622 3.2385 3.2385 3.2939 3.2939 4.2338 4.2338 4.3079 4.3079 5.8789 5.8789 5.8942 5.8942 7.3909 7.3909 7.4282 7.4282 7.5924 7.5924 7.6259 7.6259 7.8312 7.8312 7.8387 7.8387 8.8491 8.8491 8.8709 8.8709 10.4259 10.4259 10.4330 10.4330 k = 0.3182 0.2084 0.8591 ( 8529 PWs) bands (ev): -36.2434 -36.2434 -36.2423 -36.2423 -10.3233 -10.3233 -10.2890 -10.2890 -10.2565 -10.2565 -10.2248 -10.2248 1.1552 1.1552 1.2010 1.2010 2.1691 2.1691 2.2267 2.2267 2.5195 2.5195 2.5673 2.5673 3.2468 3.2468 3.3078 3.3078 4.2141 4.2141 4.2994 4.2994 5.8747 5.8747 5.8924 5.8924 7.3840 7.3840 7.4187 7.4187 7.5977 7.5977 7.6291 7.6291 7.8289 7.8289 7.8366 7.8366 8.8515 8.8515 8.8792 8.8792 10.4174 10.4174 10.4254 10.4254 k = 0.3295 0.2159 0.8502 ( 8525 PWs) bands (ev): -36.2435 -36.2435 -36.2423 -36.2423 -10.3258 -10.3258 -10.2881 -10.2881 -10.2583 -10.2583 -10.2236 -10.2236 1.1550 1.1550 1.2069 1.2069 2.1721 2.1721 2.2377 2.2377 2.5167 2.5167 2.5727 2.5727 3.2579 3.2579 3.3228 3.3228 4.1929 4.1929 4.2881 4.2881 5.8700 5.8700 5.8899 5.8899 7.3764 7.3764 7.4085 7.4085 7.6030 7.6030 7.6324 7.6324 7.8262 7.8262 7.8342 7.8342 8.8545 8.8545 8.8881 8.8881 10.4076 10.4076 10.4164 10.4164 k = 0.3409 0.2233 0.8413 ( 8531 PWs) bands (ev): -36.2436 -36.2436 -36.2423 -36.2423 -10.3280 -10.3280 -10.2872 -10.2872 -10.2599 -10.2599 -10.2231 -10.2231 1.1558 1.1558 1.2132 1.2132 2.1758 2.1758 2.2487 2.2487 2.5147 2.5147 2.5784 2.5784 3.2718 3.2718 3.3390 3.3390 4.1703 4.1703 4.2739 4.2739 5.8649 5.8649 5.8867 5.8867 7.3683 7.3683 7.3977 7.3977 7.6081 7.6081 7.6355 7.6355 7.8230 7.8230 7.8316 7.8316 8.8579 8.8579 8.8974 8.8974 10.3964 10.3964 10.4058 10.4058 k = 0.3523 0.2307 0.8324 ( 8532 PWs) bands (ev): -36.2436 -36.2436 -36.2422 -36.2422 -10.3298 -10.3298 -10.2864 -10.2864 -10.2613 -10.2613 -10.2235 -10.2235 1.1580 1.1580 1.2197 1.2197 2.1802 2.1802 2.2593 2.2593 2.5137 2.5137 2.5843 2.5843 3.2885 3.2885 3.3563 3.3563 4.1467 4.1467 4.2572 4.2572 5.8593 5.8593 5.8826 5.8826 7.3597 7.3597 7.3865 7.3865 7.6130 7.6130 7.6383 7.6383 7.8193 7.8193 7.8287 7.8287 8.8618 8.8618 8.9066 8.9066 10.3840 10.3840 10.3938 10.3938 k = 0.3636 0.2382 0.8235 ( 8528 PWs) bands (ev): -36.2436 -36.2436 -36.2422 -36.2422 -10.3313 -10.3313 -10.2855 -10.2855 -10.2626 -10.2626 -10.2248 -10.2248 1.1616 1.1616 1.2266 1.2266 2.1850 2.1850 2.2690 2.2690 2.5142 2.5142 2.5904 2.5904 3.3078 3.3078 3.3747 3.3747 4.1223 4.1223 4.2380 4.2380 5.8533 5.8533 5.8778 5.8778 7.3507 7.3507 7.3750 7.3750 7.6173 7.6173 7.6408 7.6408 7.8152 7.8152 7.8256 7.8256 8.8661 8.8661 8.9156 8.9156 10.3703 10.3703 10.3804 10.3804 k = 0.3750 0.2456 0.8146 ( 8530 PWs) bands (ev): -36.2436 -36.2436 -36.2422 -36.2422 -10.3325 -10.3325 -10.2846 -10.2846 -10.2637 -10.2637 -10.2270 -10.2270 1.1667 1.1667 1.2339 1.2339 2.1901 2.1901 2.2775 2.2775 2.5164 2.5164 2.5968 2.5968 3.3296 3.3296 3.3940 3.3940 4.0974 4.0974 4.2166 4.2166 5.8468 5.8468 5.8720 5.8720 7.3415 7.3415 7.3635 7.3635 7.6211 7.6211 7.6427 7.6427 7.8107 7.8107 7.8223 7.8223 8.8706 8.8706 8.9239 8.9239 10.3553 10.3553 10.3655 10.3655 k = 0.3864 0.2531 0.8057 ( 8527 PWs) bands (ev): -36.2436 -36.2436 -36.2422 -36.2422 -10.3333 -10.3333 -10.2836 -10.2836 -10.2646 -10.2646 -10.2301 -10.2301 1.1734 1.1734 1.2415 1.2415 2.1955 2.1955 2.2842 2.2842 2.5208 2.5208 2.6033 2.6033 3.3536 3.3536 3.4143 3.4143 4.0722 4.0722 4.1932 4.1932 5.8398 5.8398 5.8654 5.8654 7.3322 7.3322 7.3519 7.3519 7.6242 7.6242 7.6441 7.6441 7.8058 7.8058 7.8189 7.8189 8.8753 8.8753 8.9312 8.9312 10.3392 10.3392 10.3493 10.3493 k = 0.3977 0.2605 0.7968 ( 8529 PWs) bands (ev): -36.2436 -36.2436 -36.2422 -36.2422 -10.3337 -10.3337 -10.2826 -10.2826 -10.2653 -10.2653 -10.2341 -10.2341 1.1820 1.1820 1.2496 1.2496 2.2010 2.2010 2.2890 2.2890 2.5276 2.5276 2.6100 2.6100 3.3797 3.3797 3.4353 3.4353 4.0472 4.0472 4.1682 4.1682 5.8323 5.8323 5.8578 5.8578 7.3227 7.3227 7.3403 7.3403 7.6265 7.6265 7.6447 7.6447 7.8005 7.8005 7.8152 7.8152 8.8801 8.8801 8.9374 8.9374 10.3218 10.3218 10.3317 10.3317 k = 0.4091 0.2680 0.7879 ( 8531 PWs) bands (ev): -36.2436 -36.2436 -36.2423 -36.2423 -10.3338 -10.3338 -10.2816 -10.2816 -10.2658 -10.2658 -10.2390 -10.2390 1.1923 1.1923 1.2581 1.2581 2.2067 2.2067 2.2917 2.2917 2.5368 2.5368 2.6167 2.6167 3.4075 3.4075 3.4569 3.4569 4.0228 4.0228 4.1419 4.1419 5.8243 5.8243 5.8492 5.8492 7.3132 7.3132 7.3289 7.3289 7.6280 7.6280 7.6447 7.6447 7.7950 7.7950 7.8114 7.8114 8.8848 8.8848 8.9420 8.9420 10.3033 10.3033 10.3128 10.3128 k = 0.4205 0.2754 0.7790 ( 8529 PWs) bands (ev): -36.2436 -36.2436 -36.2423 -36.2423 -10.3335 -10.3335 -10.2806 -10.2806 -10.2662 -10.2662 -10.2448 -10.2448 1.2045 1.2045 1.2671 1.2671 2.2125 2.2125 2.2922 2.2922 2.5483 2.5483 2.6236 2.6236 3.4366 3.4366 3.4789 3.4789 3.9994 3.9994 4.1145 4.1145 5.8158 5.8158 5.8396 5.8396 7.3037 7.3037 7.3176 7.3176 7.6286 7.6286 7.6439 7.6439 7.7892 7.7892 7.8074 7.8074 8.8893 8.8893 8.9449 8.9449 10.2837 10.2837 10.2925 10.2925 k = 0.4318 0.2828 0.7701 ( 8532 PWs) bands (ev): -36.2435 -36.2435 -36.2424 -36.2424 -10.3328 -10.3328 -10.2798 -10.2798 -10.2664 -10.2664 -10.2511 -10.2511 1.2187 1.2187 1.2765 1.2765 2.2183 2.2183 2.2909 2.2909 2.5620 2.5620 2.6305 2.6305 3.4665 3.4665 3.5010 3.5010 3.9777 3.9777 4.0865 4.0865 5.8069 5.8069 5.8289 5.8289 7.2941 7.2941 7.3065 7.3065 7.6282 7.6282 7.6424 7.6424 7.7831 7.7831 7.8033 7.8033 8.8936 8.8936 8.9460 8.9460 10.2629 10.2629 10.2710 10.2710 k = 0.4432 0.2903 0.7613 ( 8533 PWs) bands (ev): -36.2435 -36.2435 -36.2425 -36.2425 -10.3318 -10.3318 -10.2798 -10.2798 -10.2664 -10.2664 -10.2574 -10.2574 1.2348 1.2348 1.2864 1.2864 2.2242 2.2242 2.2878 2.2878 2.5776 2.5776 2.6375 2.6375 3.4964 3.4964 3.5229 3.5229 3.9585 3.9585 4.0584 4.0584 5.7974 5.7974 5.8172 5.8172 7.2846 7.2846 7.2957 7.2957 7.6268 7.6268 7.6403 7.6403 7.7768 7.7768 7.7989 7.7989 8.8975 8.8975 8.9450 8.9450 10.2410 10.2410 10.2481 10.2481 k = 0.4545 0.2977 0.7524 ( 8533 PWs) bands (ev): -36.2434 -36.2434 -36.2426 -36.2426 -10.3303 -10.3303 -10.2820 -10.2820 -10.2666 -10.2666 -10.2621 -10.2621 1.2528 1.2528 1.2967 1.2967 2.2303 2.2303 2.2834 2.2834 2.5947 2.5947 2.6445 2.6445 3.5255 3.5255 3.5440 3.5440 3.9426 3.9426 4.0306 4.0306 5.7875 5.7875 5.8045 5.8045 7.2750 7.2750 7.2852 7.2852 7.6244 7.6244 7.6374 7.6374 7.7704 7.7704 7.7944 7.7944 8.9009 8.9009 8.9419 8.9419 10.2181 10.2181 10.2241 10.2241 k = 0.4659 0.3052 0.7435 ( 8528 PWs) bands (ev): -36.2433 -36.2433 -36.2427 -36.2427 -10.3286 -10.3286 -10.2881 -10.2881 -10.2668 -10.2668 -10.2635 -10.2635 1.2727 1.2727 1.3076 1.3076 2.2366 2.2366 2.2779 2.2779 2.6129 2.6129 2.6515 2.6515 3.5524 3.5524 3.5637 3.5637 3.9315 3.9315 4.0040 4.0040 5.7770 5.7770 5.7906 5.7906 7.2655 7.2655 7.2750 7.2750 7.6210 7.6210 7.6340 7.6340 7.7638 7.7638 7.7896 7.7896 8.9037 8.9037 8.9367 8.9367 10.1941 10.1941 10.1989 10.1989 k = 0.4773 0.3126 0.7346 ( 8529 PWs) bands (ev): -36.2433 -36.2433 -36.2428 -36.2428 -10.3265 -10.3265 -10.2973 -10.2973 -10.2660 -10.2660 -10.2632 -10.2632 1.2944 1.2944 1.3189 1.3189 2.2431 2.2431 2.2716 2.2716 2.6321 2.6321 2.6584 2.6584 3.5756 3.5756 3.5813 3.5813 3.9266 3.9266 3.9794 3.9794 5.7661 5.7661 5.7757 5.7757 7.2561 7.2561 7.2652 7.2652 7.6165 7.6165 7.6299 7.6299 7.7570 7.7570 7.7846 7.7846 8.9058 8.9058 8.9294 8.9294 10.1691 10.1691 10.1725 10.1725 k = 0.4886 0.3201 0.7257 ( 8533 PWs) bands (ev): -36.2432 -36.2432 -36.2429 -36.2429 -10.3241 -10.3241 -10.3086 -10.3086 -10.2645 -10.2645 -10.2623 -10.2623 1.3179 1.3179 1.3308 1.3308 2.2500 2.2500 2.2648 2.2648 2.6519 2.6519 2.6653 2.6653 3.5936 3.5936 3.5956 3.5956 3.9294 3.9294 3.9579 3.9579 5.7546 5.7546 5.7598 5.7598 7.2466 7.2466 7.2556 7.2556 7.6111 7.6111 7.6253 7.6253 7.7500 7.7500 7.7793 7.7793 8.9069 8.9069 8.9204 8.9204 10.1432 10.1432 10.1449 10.1449 k = 0.5000 0.3275 0.7168 ( 8532 PWs) bands (ev): -36.2430 -36.2430 -36.2430 -36.2430 -10.3222 -10.3222 -10.3203 -10.3203 -10.2627 -10.2627 -10.2608 -10.2608 1.3429 1.3429 1.3433 1.3433 2.2567 2.2567 2.2583 2.2583 2.6719 2.6719 2.6722 2.6722 3.6052 3.6052 3.6055 3.6055 3.9403 3.9403 3.9415 3.9415 5.7421 5.7421 5.7433 5.7433 7.2373 7.2373 7.2464 7.2464 7.6049 7.6049 7.6200 7.6200 7.7429 7.7429 7.7737 7.7737 8.9051 8.9051 8.9116 8.9116 10.1162 10.1162 10.1164 10.1164 k = 0.5000 0.3275 0.7168 ( 8532 PWs) bands (ev): -36.2430 -36.2430 -36.2430 -36.2430 -10.3222 -10.3222 -10.3203 -10.3203 -10.2627 -10.2627 -10.2608 -10.2608 1.3429 1.3429 1.3433 1.3433 2.2567 2.2567 2.2583 2.2583 2.6719 2.6719 2.6722 2.6722 3.6052 3.6052 3.6055 3.6055 3.9403 3.9403 3.9415 3.9415 5.7421 5.7421 5.7433 5.7433 7.2373 7.2373 7.2464 7.2464 7.6049 7.6049 7.6200 7.6200 7.7429 7.7429 7.7737 7.7737 8.9051 8.9051 8.9116 8.9116 10.1162 10.1162 10.1164 10.1164 k = 0.5000 0.3275 0.7005 ( 8534 PWs) bands (ev): -36.2431 -36.2431 -36.2431 -36.2431 -10.3319 -10.3319 -10.3303 -10.3303 -10.2589 -10.2589 -10.2573 -10.2573 1.3792 1.3792 1.3796 1.3796 2.2574 2.2574 2.2591 2.2591 2.6974 2.6974 2.6976 2.6976 3.6201 3.6201 3.6201 3.6201 3.9418 3.9418 3.9433 3.9433 5.7142 5.7142 5.7154 5.7154 7.2196 7.2196 7.2291 7.2291 7.5923 7.5923 7.6092 7.6092 7.7293 7.7293 7.7627 7.7627 8.8935 8.8935 8.9004 8.9004 10.0628 10.0628 10.0630 10.0630 k = 0.5000 0.3275 0.6842 ( 8542 PWs) bands (ev): -36.2431 -36.2431 -36.2431 -36.2431 -10.3426 -10.3426 -10.3411 -10.3411 -10.2547 -10.2547 -10.2533 -10.2533 1.4175 1.4175 1.4180 1.4180 2.2590 2.2590 2.2609 2.2609 2.7240 2.7240 2.7243 2.7243 3.6359 3.6359 3.6360 3.6360 3.9438 3.9438 3.9456 3.9456 5.6849 5.6849 5.6862 5.6862 7.2006 7.2006 7.2106 7.2106 7.5785 7.5785 7.5972 7.5972 7.7152 7.7152 7.7512 7.7512 8.8811 8.8811 8.8884 8.8884 10.0063 10.0063 10.0065 10.0065 k = 0.5000 0.3275 0.6679 ( 8536 PWs) bands (ev): -36.2431 -36.2431 -36.2431 -36.2431 -10.3539 -10.3539 -10.3526 -10.3526 -10.2501 -10.2501 -10.2489 -10.2489 1.4575 1.4575 1.4581 1.4581 2.2616 2.2616 2.2636 2.2636 2.7519 2.7519 2.7522 2.7522 3.6525 3.6525 3.6530 3.6530 3.9462 3.9462 3.9485 3.9485 5.6545 5.6545 5.6559 5.6559 7.1805 7.1805 7.1907 7.1907 7.5636 7.5636 7.5840 7.5840 7.7009 7.7009 7.7391 7.7391 8.8679 8.8679 8.8755 8.8755 9.9470 9.9470 9.9472 9.9472 k = 0.5000 0.3275 0.6516 ( 8536 PWs) bands (ev): -36.2432 -36.2432 -36.2432 -36.2432 -10.3659 -10.3659 -10.3648 -10.3648 -10.2452 -10.2452 -10.2441 -10.2441 1.4991 1.4991 1.4998 1.4998 2.2653 2.2653 2.2674 2.2674 2.7809 2.7809 2.7813 2.7813 3.6701 3.6701 3.6710 3.6710 3.9493 3.9493 3.9520 3.9520 5.6232 5.6232 5.6246 5.6246 7.1591 7.1591 7.1696 7.1696 7.5475 7.5475 7.5694 7.5694 7.6864 7.6864 7.7267 7.7267 8.8539 8.8539 8.8618 8.8618 9.8851 9.8851 9.8852 9.8852 k = 0.5000 0.3275 0.6353 ( 8544 PWs) bands (ev): -36.2432 -36.2432 -36.2432 -36.2432 -10.3785 -10.3785 -10.3775 -10.3775 -10.2399 -10.2399 -10.2390 -10.2390 1.5419 1.5419 1.5427 1.5427 2.2703 2.2703 2.2725 2.2725 2.8110 2.8110 2.8114 2.8114 3.6885 3.6885 3.6899 3.6899 3.9530 3.9530 3.9563 3.9563 5.5910 5.5910 5.5925 5.5925 7.1367 7.1367 7.1473 7.1473 7.5301 7.5301 7.5533 7.5533 7.6719 7.6719 7.7140 7.7140 8.8391 8.8391 8.8473 8.8473 9.8206 9.8206 9.8207 9.8207 k = 0.5000 0.3275 0.6190 ( 8542 PWs) bands (ev): -36.2432 -36.2432 -36.2432 -36.2432 -10.3916 -10.3916 -10.3907 -10.3907 -10.2344 -10.2344 -10.2336 -10.2336 1.5855 1.5855 1.5863 1.5863 2.2766 2.2766 2.2790 2.2790 2.8422 2.8422 2.8426 2.8426 3.7077 3.7077 3.7097 3.7097 3.9575 3.9575 3.9615 3.9615 5.5583 5.5583 5.5599 5.5599 7.1131 7.1131 7.1238 7.1238 7.5115 7.5115 7.5357 7.5357 7.6576 7.6576 7.7010 7.7010 8.8236 8.8236 8.8320 8.8320 9.7539 9.7539 9.7540 9.7540 k = 0.5000 0.3275 0.6027 ( 8538 PWs) bands (ev): -36.2433 -36.2433 -36.2433 -36.2433 -10.4052 -10.4052 -10.4043 -10.4043 -10.2287 -10.2287 -10.2279 -10.2279 1.6294 1.6294 1.6304 1.6304 2.2845 2.2845 2.2871 2.2871 2.8744 2.8744 2.8749 2.8749 3.7275 3.7275 3.7303 3.7303 3.9630 3.9630 3.9679 3.9679 5.5253 5.5253 5.5269 5.5269 7.0885 7.0885 7.0992 7.0992 7.4916 7.4916 7.5166 7.5166 7.6435 7.6435 7.6879 7.6879 8.8072 8.8072 8.8158 8.8158 9.6852 9.6852 9.6852 9.6852 k = 0.5000 0.3275 0.5864 ( 8538 PWs) bands (ev): -36.2433 -36.2433 -36.2433 -36.2433 -10.4191 -10.4191 -10.4183 -10.4183 -10.2227 -10.2227 -10.2220 -10.2220 1.6733 1.6733 1.6745 1.6745 2.2942 2.2942 2.2970 2.2970 2.9076 2.9076 2.9081 2.9081 3.7479 3.7479 3.7516 3.7516 3.9695 3.9695 3.9754 3.9754 5.4921 5.4921 5.4938 5.4938 7.0629 7.0629 7.0735 7.0735 7.4705 7.4705 7.4958 7.4958 7.6298 7.6298 7.6747 7.6747 8.7901 8.7901 8.7989 8.7989 9.6145 9.6145 9.6146 9.6146 k = 0.5000 0.3275 0.5702 ( 8540 PWs) bands (ev): -36.2433 -36.2433 -36.2433 -36.2433 -10.4334 -10.4334 -10.4326 -10.4326 -10.2165 -10.2165 -10.2159 -10.2159 1.7166 1.7166 1.7179 1.7179 2.3061 2.3061 2.3090 2.3090 2.9418 2.9418 2.9423 2.9423 3.7687 3.7687 3.7735 3.7735 3.9774 3.9774 3.9844 3.9844 5.4589 5.4589 5.4606 5.4606 7.0364 7.0364 7.0469 7.0469 7.4480 7.4480 7.4735 7.4735 7.6164 7.6164 7.6615 7.6615 8.7722 8.7722 8.7811 8.7811 9.5421 9.5421 9.5423 9.5423 k = 0.5000 0.3275 0.5539 ( 8548 PWs) bands (ev): -36.2434 -36.2434 -36.2434 -36.2434 -10.4479 -10.4479 -10.4472 -10.4472 -10.2102 -10.2102 -10.2096 -10.2096 1.7587 1.7587 1.7601 1.7601 2.3203 2.3203 2.3233 2.3233 2.9769 2.9769 2.9774 2.9774 3.7899 3.7899 3.7959 3.7959 3.9867 3.9867 3.9950 3.9950 5.4260 5.4260 5.4277 5.4277 7.0090 7.0090 7.0193 7.0193 7.4244 7.4244 7.4497 7.4497 7.6034 7.6034 7.6482 7.6482 8.7536 8.7536 8.7625 8.7625 9.4683 9.4683 9.4686 9.4686 k = 0.5000 0.3275 0.5376 ( 8544 PWs) bands (ev): -36.2434 -36.2434 -36.2434 -36.2434 -10.4627 -10.4627 -10.4620 -10.4620 -10.2037 -10.2037 -10.2031 -10.2031 1.7990 1.7990 1.8005 1.8005 2.3373 2.3373 2.3404 2.3404 3.0129 3.0129 3.0135 3.0135 3.8113 3.8113 3.8187 3.8187 3.9977 3.9977 4.0075 4.0075 5.3934 5.3934 5.3952 5.3952 6.9808 6.9808 6.9908 6.9908 7.3995 7.3995 7.4245 7.4245 7.5907 7.5907 7.6350 7.6350 8.7341 8.7341 8.7430 8.7430 9.3930 9.3930 9.3935 9.3935 k = 0.5000 0.3275 0.5213 ( 8550 PWs) bands (ev): -36.2435 -36.2435 -36.2435 -36.2435 -10.4776 -10.4776 -10.4770 -10.4770 -10.1970 -10.1970 -10.1966 -10.1966 1.8368 1.8368 1.8385 1.8385 2.3573 2.3573 2.3605 2.3605 3.0498 3.0498 3.0504 3.0504 3.8327 3.8327 3.8417 3.8417 4.0106 4.0106 4.0220 4.0220 5.3615 5.3615 5.3634 5.3634 6.9518 6.9518 6.9616 6.9616 7.3735 7.3735 7.3979 7.3979 7.5783 7.5783 7.6219 7.6219 8.7139 8.7139 8.7227 8.7227 9.3166 9.3166 9.3173 9.3173 k = 0.5000 0.3275 0.5050 ( 8546 PWs) bands (ev): -36.2435 -36.2435 -36.2435 -36.2435 -10.4926 -10.4926 -10.4921 -10.4921 -10.1903 -10.1903 -10.1899 -10.1899 1.8717 1.8717 1.8734 1.8734 2.3806 2.3806 2.3839 2.3839 3.0876 3.0876 3.0882 3.0882 3.8542 3.8542 3.8648 3.8648 4.0256 4.0256 4.0387 4.0387 5.3303 5.3303 5.3322 5.3322 6.9222 6.9222 6.9316 6.9316 7.3463 7.3463 7.3702 7.3702 7.5662 7.5662 7.6089 7.6089 8.6930 8.6930 8.7016 8.7016 9.2392 9.2392 9.2401 9.2401 k = 0.5000 0.3275 0.4887 ( 8542 PWs) bands (ev): -36.2435 -36.2435 -36.2435 -36.2435 -10.5077 -10.5077 -10.5072 -10.5072 -10.1835 -10.1835 -10.1831 -10.1831 1.9032 1.9032 1.9049 1.9049 2.4072 2.4072 2.4105 2.4105 3.1263 3.1263 3.1269 3.1269 3.8757 3.8757 3.8879 3.8879 4.0430 4.0430 4.0577 4.0577 5.3001 5.3001 5.3021 5.3021 6.8920 6.8920 6.9010 6.9010 7.3180 7.3180 7.3413 7.3413 7.5543 7.5543 7.5960 7.5960 8.6712 8.6712 8.6796 8.6796 9.1609 9.1609 9.1622 9.1622 k = 0.5000 0.3275 0.4724 ( 8554 PWs) bands (ev): -36.2436 -36.2436 -36.2436 -36.2436 -10.5228 -10.5228 -10.5223 -10.5223 -10.1766 -10.1766 -10.1762 -10.1762 1.9309 1.9309 1.9326 1.9326 2.4371 2.4371 2.4402 2.4402 3.1658 3.1658 3.1664 3.1664 3.8972 3.8972 3.9109 3.9109 4.0629 4.0629 4.0790 4.0790 5.2711 5.2711 5.2730 5.2730 6.8612 6.8612 6.8697 6.8697 7.2887 7.2887 7.3114 7.3114 7.5426 7.5426 7.5833 7.5833 8.6486 8.6486 8.6568 8.6568 9.0820 9.0820 9.0836 9.0836 k = 0.5000 0.3275 0.4561 ( 8554 PWs) bands (ev): -36.2436 -36.2436 -36.2436 -36.2436 -10.5379 -10.5379 -10.5375 -10.5375 -10.1696 -10.1696 -10.1693 -10.1693 1.9550 1.9550 1.9566 1.9566 2.4698 2.4698 2.4728 2.4728 3.2062 3.2062 3.2067 3.2067 3.9189 3.9189 3.9338 3.9338 4.0852 4.0852 4.1027 4.1027 5.2433 5.2433 5.2453 5.2453 6.8300 6.8300 6.8380 6.8380 7.2584 7.2584 7.2805 7.2805 7.5312 7.5312 7.5707 7.5707 8.6253 8.6253 8.6330 8.6330 9.0026 9.0026 9.0047 9.0047 k = 0.5000 0.3275 0.4398 ( 8554 PWs) bands (ev): -36.2437 -36.2437 -36.2437 -36.2437 -10.5529 -10.5529 -10.5525 -10.5525 -10.1626 -10.1626 -10.1623 -10.1623 1.9754 1.9754 1.9770 1.9770 2.5050 2.5050 2.5077 2.5077 3.2474 3.2474 3.2479 3.2479 3.9409 3.9409 3.9569 3.9569 4.1101 4.1101 4.1286 4.1286 5.2169 5.2169 5.2189 5.2189 6.7985 6.7985 6.8059 6.8059 7.2273 7.2273 7.2488 7.2488 7.5200 7.5200 7.5584 7.5584 8.6012 8.6012 8.6083 8.6083 8.9229 8.9229 8.9256 8.9256 k = 0.5000 0.3275 0.4235 ( 8546 PWs) bands (ev): -36.2437 -36.2437 -36.2437 -36.2437 -10.5678 -10.5678 -10.5674 -10.5674 -10.1556 -10.1556 -10.1554 -10.1554 1.9926 1.9926 1.9940 1.9940 2.5418 2.5418 2.5444 2.5444 3.2894 3.2894 3.2899 3.2899 3.9635 3.9635 3.9802 3.9802 4.1374 4.1374 4.1565 4.1565 5.1921 5.1921 5.1941 5.1941 6.7667 6.7667 6.7735 6.7735 7.1952 7.1952 7.2162 7.2162 7.5089 7.5089 7.5462 7.5462 8.5762 8.5762 8.5825 8.5825 8.8431 8.8431 8.8466 8.8466 k = 0.5000 0.3275 0.4073 ( 8540 PWs) bands (ev): -36.2438 -36.2438 -36.2438 -36.2438 -10.5824 -10.5824 -10.5821 -10.5821 -10.1487 -10.1487 -10.1484 -10.1484 2.0067 2.0067 2.0079 2.0079 2.5797 2.5797 2.5820 2.5820 3.3322 3.3322 3.3326 3.3326 3.9868 3.9868 4.0040 4.0040 4.1668 4.1668 4.1864 4.1864 5.1690 5.1690 5.1709 5.1709 6.7347 6.7347 6.7409 6.7409 7.1624 7.1624 7.1830 7.1830 7.4981 7.4981 7.5343 7.5343 8.5504 8.5504 8.5555 8.5555 8.7634 8.7634 8.7681 8.7681 k = 0.5000 0.3275 0.3910 ( 8548 PWs) bands (ev): -36.2438 -36.2438 -36.2438 -36.2438 -10.5969 -10.5969 -10.5966 -10.5966 -10.1418 -10.1418 -10.1415 -10.1415 2.0181 2.0181 2.0193 2.0193 2.6179 2.6179 2.6199 2.6199 3.3757 3.3757 3.3760 3.3760 4.0110 4.0110 4.0284 4.0284 4.1983 4.1983 4.2181 4.2181 5.1476 5.1476 5.1494 5.1494 6.7028 6.7028 6.7082 6.7082 7.1289 7.1289 7.1491 7.1491 7.4875 7.4875 7.5226 7.5226 8.5235 8.5235 8.5268 8.5268 8.6842 8.6842 8.6908 8.6908 k = 0.5000 0.3275 0.3747 ( 8540 PWs) bands (ev): -36.2438 -36.2438 -36.2438 -36.2438 -10.6111 -10.6111 -10.6108 -10.6108 -10.1349 -10.1349 -10.1347 -10.1347 2.0273 2.0273 2.0283 2.0283 2.6558 2.6558 2.6574 2.6574 3.4199 3.4199 3.4200 3.4200 4.0363 4.0363 4.0538 4.0538 4.2317 4.2317 4.2515 4.2515 5.1280 5.1280 5.1298 5.1298 6.6708 6.6708 6.6756 6.6756 7.0948 7.0948 7.1147 7.1147 7.4772 7.4772 7.5111 7.5111 8.4951 8.4951 8.4953 8.4953 8.6061 8.6061 8.6158 8.6158 k = 0.5000 0.3275 0.3584 ( 8540 PWs) bands (ev): -36.2439 -36.2439 -36.2439 -36.2439 -10.6250 -10.6250 -10.6247 -10.6247 -10.1282 -10.1282 -10.1280 -10.1280 2.0345 2.0345 2.0354 2.0354 2.6927 2.6927 2.6940 2.6940 3.4646 3.4646 3.4646 3.4646 4.0627 4.0627 4.0801 4.0801 4.2668 4.2668 4.2863 4.2863 5.1104 5.1104 5.1120 5.1120 6.6391 6.6391 6.6431 6.6431 7.0601 7.0601 7.0798 7.0798 7.4671 7.4671 7.5000 7.5000 8.4579 8.4579 8.4631 8.4631 8.5314 8.5314 8.5466 8.5466 k = 0.5000 0.3275 0.3421 ( 8552 PWs) bands (ev): -36.2439 -36.2439 -36.2439 -36.2439 -10.6386 -10.6386 -10.6383 -10.6383 -10.1215 -10.1215 -10.1213 -10.1213 2.0400 2.0400 2.0408 2.0408 2.7282 2.7282 2.7292 2.7292 3.5094 3.5094 3.5096 3.5096 4.0904 4.0904 4.1075 4.1075 4.3035 4.3035 4.3226 4.3226 5.0947 5.0947 5.0962 5.0962 6.6078 6.6078 6.6109 6.6109 7.0249 7.0249 7.0445 7.0445 7.4572 7.4572 7.4892 7.4892 8.4084 8.4084 8.4190 8.4190 8.4690 8.4690 8.4896 8.4896 k = 0.5000 0.3275 0.3258 ( 8548 PWs) bands (ev): -36.2440 -36.2440 -36.2440 -36.2440 -10.6518 -10.6518 -10.6515 -10.6515 -10.1150 -10.1150 -10.1148 -10.1148 2.0441 2.0441 2.0447 2.0447 2.7619 2.7619 2.7626 2.7626 3.5544 3.5544 3.5548 3.5548 4.1194 4.1194 4.1359 4.1359 4.3416 4.3416 4.3601 4.3601 5.0809 5.0809 5.0822 5.0822 6.5770 6.5770 6.5791 6.5791 6.9893 6.9893 7.0088 7.0088 7.4476 7.4476 7.4787 7.4787 8.3452 8.3452 8.3538 8.3538 8.4279 8.4279 8.4466 8.4466 k = 0.5000 0.3275 0.3095 ( 8540 PWs) bands (ev): -36.2440 -36.2440 -36.2440 -36.2440 -10.6646 -10.6646 -10.6643 -10.6643 -10.1086 -10.1086 -10.1085 -10.1085 2.0469 2.0469 2.0474 2.0474 2.7936 2.7936 2.7940 2.7940 3.5993 3.5993 3.5998 3.5998 4.1495 4.1495 4.1655 4.1655 4.3811 4.3811 4.3988 4.3988 5.0691 5.0691 5.0702 5.0702 6.5468 6.5468 6.5480 6.5480 6.9533 6.9533 6.9729 6.9729 7.4382 7.4382 7.4685 7.4685 8.2750 8.2750 8.2804 8.2804 8.3957 8.3957 8.4113 8.4113 k = 0.5000 0.3275 0.2932 ( 8548 PWs) bands (ev): -36.2440 -36.2440 -36.2440 -36.2440 -10.6769 -10.6769 -10.6766 -10.6766 -10.1025 -10.1025 -10.1023 -10.1023 2.0487 2.0487 2.0491 2.0491 2.8231 2.8231 2.8232 2.8232 3.6439 3.6439 3.6445 3.6445 4.1808 4.1808 4.1961 4.1961 4.4218 4.4218 4.4385 4.4385 5.0591 5.0591 5.0599 5.0599 6.5175 6.5175 6.5176 6.5176 6.9171 6.9171 6.9367 6.9367 7.4292 7.4292 7.4587 7.4587 8.2028 8.2028 8.2058 8.2058 8.3654 8.3654 8.3789 8.3789 k = 0.5000 0.3275 0.2769 ( 8560 PWs) bands (ev): -36.2441 -36.2441 -36.2441 -36.2441 -10.6887 -10.6887 -10.6885 -10.6885 -10.0965 -10.0965 -10.0963 -10.0963 2.0495 2.0495 2.0499 2.0499 2.8501 2.8501 2.8502 2.8502 3.6877 3.6877 3.6884 3.6884 4.2130 4.2130 4.2275 4.2275 4.4635 4.4635 4.4791 4.4791 5.0510 5.0510 5.0515 5.0515 6.4883 6.4883 6.4892 6.4892 6.8806 6.8806 6.9005 6.9005 7.4204 7.4204 7.4493 7.4493 8.1306 8.1306 8.1319 8.1319 8.3358 8.3358 8.3478 8.3478 k = 0.5000 0.3275 0.2606 ( 8556 PWs) bands (ev): -36.2441 -36.2441 -36.2441 -36.2441 -10.7000 -10.7000 -10.6998 -10.6998 -10.0907 -10.0907 -10.0906 -10.0906 2.0497 2.0497 2.0500 2.0500 2.8747 2.8747 2.8750 2.8750 3.7305 3.7305 3.7314 3.7314 4.2461 4.2461 4.2597 4.2597 4.5061 4.5061 4.5203 4.5203 5.0446 5.0446 5.0447 5.0447 6.4601 6.4601 6.4622 6.4622 6.8441 6.8441 6.8643 6.8643 7.4119 7.4119 7.4404 7.4404 8.0591 8.0591 8.0594 8.0594 8.3065 8.3065 8.3173 8.3173 k = 0.5000 0.3275 0.2444 ( 8574 PWs) bands (ev): -36.2442 -36.2442 -36.2442 -36.2442 -10.7108 -10.7108 -10.7106 -10.7106 -10.0852 -10.0852 -10.0851 -10.0851 2.0491 2.0491 2.0494 2.0494 2.8971 2.8971 2.8975 2.8975 3.7720 3.7720 3.7729 3.7729 4.2799 4.2799 4.2925 4.2925 4.5493 4.5493 4.5621 4.5621 5.0395 5.0395 5.0399 5.0399 6.4333 6.4333 6.4367 6.4367 6.8075 6.8075 6.8281 6.8281 7.4037 7.4037 7.4318 7.4318 7.9879 7.9879 7.9897 7.9897 8.2776 8.2776 8.2873 8.2873 k = 0.5000 0.3275 0.2281 ( 8572 PWs) bands (ev): -36.2442 -36.2442 -36.2442 -36.2442 -10.7211 -10.7211 -10.7209 -10.7209 -10.0799 -10.0799 -10.0798 -10.0798 2.0481 2.0481 2.0483 2.0483 2.9172 2.9172 2.9177 2.9177 3.8119 3.8119 3.8129 3.8129 4.3141 4.3141 4.3258 4.3258 4.5926 4.5926 4.6039 4.6039 5.0357 5.0357 5.0366 5.0366 6.4082 6.4082 6.4129 6.4129 6.7710 6.7710 6.7921 6.7921 7.3957 7.3957 7.4237 7.4237 7.9186 7.9186 7.9220 7.9220 8.2490 8.2490 8.2579 8.2579 k = 0.5000 0.3275 0.2118 ( 8564 PWs) bands (ev): -36.2442 -36.2442 -36.2442 -36.2442 -10.7307 -10.7307 -10.7305 -10.7305 -10.0749 -10.0749 -10.0748 -10.0748 2.0466 2.0466 2.0468 2.0468 2.9353 2.9353 2.9359 2.9359 3.8498 3.8498 3.8509 3.8509 4.3486 4.3486 4.3593 4.3593 4.6358 4.6358 4.6455 4.6455 5.0333 5.0333 5.0347 5.0347 6.3849 6.3849 6.3911 6.3911 6.7347 6.7347 6.7563 6.7563 7.3880 7.3880 7.4160 7.4160 7.8516 7.8516 7.8566 7.8566 8.2211 8.2211 8.2292 8.2292 k = 0.5000 0.3275 0.1955 ( 8562 PWs) bands (ev): -36.2442 -36.2442 -36.2442 -36.2442 -10.7397 -10.7397 -10.7395 -10.7395 -10.0702 -10.0702 -10.0701 -10.0701 2.0449 2.0449 2.0450 2.0450 2.9514 2.9514 2.9520 2.9520 3.8856 3.8856 3.8866 3.8866 4.3832 4.3832 4.3929 4.3929 4.6782 4.6782 4.6862 4.6862 5.0322 5.0322 5.0342 5.0342 6.3637 6.3637 6.3715 6.3715 6.6986 6.6986 6.7210 6.7210 7.3805 7.3805 7.4088 7.4088 7.7872 7.7872 7.7941 7.7941 8.1939 8.1939 8.2012 8.2012 k = 0.5000 0.3275 0.1792 ( 8562 PWs) bands (ev): -36.2443 -36.2443 -36.2443 -36.2443 -10.7481 -10.7481 -10.7479 -10.7479 -10.0658 -10.0658 -10.0657 -10.0657 2.0429 2.0429 2.0430 2.0430 2.9656 2.9656 2.9663 2.9663 3.9190 3.9190 3.9200 3.9200 4.4176 4.4176 4.4265 4.4265 4.7191 4.7191 4.7254 4.7254 5.0323 5.0323 5.0350 5.0350 6.3449 6.3449 6.3544 6.3544 6.6630 6.6630 6.6861 6.6861 7.3731 7.3731 7.4020 7.4020 7.7257 7.7257 7.7347 7.7347 8.1676 8.1676 8.1742 8.1742 k = 0.5000 0.3275 0.1629 ( 8558 PWs) bands (ev): -36.2443 -36.2443 -36.2443 -36.2443 -10.7558 -10.7558 -10.7556 -10.7556 -10.0617 -10.0617 -10.0617 -10.0617 2.0408 2.0408 2.0408 2.0408 2.9782 2.9782 2.9789 2.9789 3.9499 3.9499 3.9508 3.9508 4.4518 4.4518 4.4597 4.4597 4.7574 4.7574 4.7621 4.7621 5.0340 5.0340 5.0372 5.0372 6.3287 6.3287 6.3399 6.3399 6.6280 6.6280 6.6518 6.6518 7.3659 7.3659 7.3956 7.3956 7.6676 7.6676 7.6790 7.6790 8.1426 8.1426 8.1484 8.1484 k = 0.5000 0.3275 0.1466 ( 8562 PWs) bands (ev): -36.2443 -36.2443 -36.2443 -36.2443 -10.7628 -10.7628 -10.7627 -10.7627 -10.0580 -10.0580 -10.0580 -10.0580 2.0386 2.0386 2.0387 2.0387 2.9891 2.9891 2.9898 2.9898 3.9780 3.9780 3.9788 3.9788 4.4853 4.4853 4.4925 4.4925 4.7921 4.7921 4.7953 4.7953 5.0374 5.0374 5.0412 5.0412 6.3152 6.3152 6.3282 6.3282 6.5937 6.5937 6.6183 6.6183 7.3586 7.3586 7.3896 7.3896 7.6132 7.6132 7.6274 7.6274 8.1189 8.1189 8.1240 8.1240 k = 0.5000 0.3275 0.1303 ( 8554 PWs) bands (ev): -36.2443 -36.2443 -36.2443 -36.2443 -10.7691 -10.7691 -10.7690 -10.7690 -10.0546 -10.0546 -10.0546 -10.0546 2.0364 2.0364 2.0365 2.0365 2.9986 2.9986 2.9993 2.9993 4.0033 4.0033 4.0040 4.0040 4.5181 4.5181 4.5245 4.5245 4.8218 4.8218 4.8236 4.8236 5.0431 5.0431 5.0474 5.0474 6.3047 6.3047 6.3196 6.3196 6.5603 6.5603 6.5857 6.5857 7.3512 7.3512 7.3837 7.3837 7.5632 7.5632 7.5805 7.5805 8.0969 8.0969 8.1013 8.1013 k = 0.5000 0.3275 0.1140 ( 8558 PWs) bands (ev): -36.2444 -36.2444 -36.2444 -36.2444 -10.7748 -10.7748 -10.7747 -10.7747 -10.0516 -10.0516 -10.0516 -10.0516 2.0344 2.0344 2.0344 2.0344 3.0067 3.0067 3.0073 3.0073 4.0256 4.0256 4.0263 4.0263 4.5497 4.5497 4.5555 4.5555 4.8452 4.8452 4.8461 4.8461 5.0517 5.0517 5.0560 5.0560 6.2972 6.2972 6.3140 6.3140 6.5281 6.5281 6.5542 6.5542 7.3436 7.3436 7.3777 7.3777 7.5183 7.5183 7.5389 7.5389 8.0767 8.0767 8.0806 8.0806 k = 0.5000 0.3275 0.0977 ( 8560 PWs) bands (ev): -36.2444 -36.2444 -36.2444 -36.2444 -10.7796 -10.7796 -10.7796 -10.7796 -10.0490 -10.0490 -10.0490 -10.0490 2.0325 2.0325 2.0325 2.0325 3.0136 3.0136 3.0141 3.0141 4.0451 4.0451 4.0456 4.0456 4.5799 4.5799 4.5850 4.5850 4.8616 4.8616 4.8619 4.8619 5.0631 5.0631 5.0672 5.0672 6.2929 6.2929 6.3115 6.3115 6.4974 6.4974 6.5241 6.5241 7.3356 7.3356 7.3711 7.3711 7.4794 7.4794 7.5031 7.5031 8.0587 8.0587 8.0619 8.0619 k = 0.5000 0.3275 0.0815 ( 8560 PWs) bands (ev): -36.2444 -36.2444 -36.2444 -36.2444 -10.7838 -10.7838 -10.7838 -10.7838 -10.0468 -10.0468 -10.0467 -10.0467 2.0307 2.0307 2.0307 2.0307 3.0193 3.0193 3.0197 3.0197 4.0615 4.0615 4.0619 4.0619 4.6081 4.6081 4.6125 4.6125 4.8711 4.8711 4.8713 4.8713 5.0765 5.0765 5.0801 5.0801 6.2918 6.2918 6.3119 6.3119 6.4686 6.4686 6.4955 6.4955 7.3274 7.3274 7.3628 7.3628 7.4480 7.4480 7.4734 7.4734 8.0431 8.0431 8.0457 8.0457 k = 0.5000 0.3275 0.0652 ( 8566 PWs) bands (ev): -36.2444 -36.2444 -36.2444 -36.2444 -10.7872 -10.7872 -10.7872 -10.7872 -10.0449 -10.0449 -10.0449 -10.0449 2.0293 2.0293 2.0293 2.0293 3.0238 3.0238 3.0242 3.0242 4.0750 4.0750 4.0753 4.0753 4.6336 4.6336 4.6374 4.6374 4.8750 4.8750 4.8753 4.8753 5.0906 5.0906 5.0935 5.0935 6.2937 6.2937 6.3149 6.3149 6.4421 6.4421 6.4688 6.4688 7.3194 7.3194 7.3519 7.3519 7.4256 7.4256 7.4498 7.4498 8.0300 8.0300 8.0321 8.0321 k = 0.5000 0.3275 0.0489 ( 8578 PWs) bands (ev): -36.2444 -36.2444 -36.2444 -36.2444 -10.7899 -10.7899 -10.7899 -10.7899 -10.0435 -10.0435 -10.0435 -10.0435 2.0281 2.0281 2.0281 2.0281 3.0273 3.0273 3.0276 3.0276 4.0854 4.0854 4.0857 4.0857 4.6558 4.6558 4.6588 4.6588 4.8750 4.8750 4.8753 4.8753 5.1036 5.1036 5.1057 5.1057 6.2986 6.2986 6.3199 6.3199 6.4188 6.4188 6.4443 6.4443 7.3124 7.3124 7.3386 7.3386 7.4122 7.4122 7.4321 7.4321 8.0197 8.0197 8.0212 8.0212 k = 0.5000 0.3275 0.0326 ( 8574 PWs) bands (ev): -36.2444 -36.2444 -36.2444 -36.2444 -10.7918 -10.7918 -10.7918 -10.7918 -10.0425 -10.0425 -10.0424 -10.0424 2.0272 2.0272 2.0272 2.0272 3.0298 3.0298 3.0300 3.0300 4.0929 4.0929 4.0930 4.0930 4.6733 4.6733 4.6755 4.6755 4.8729 4.8729 4.8732 4.8732 5.1140 5.1140 5.1154 5.1154 6.3060 6.3060 6.3252 6.3252 6.4006 6.4006 6.4226 6.4226 7.3075 7.3075 7.3254 7.3254 7.4057 7.4057 7.4194 7.4194 8.0122 8.0122 8.0132 8.0132 k = 0.5000 0.3275 0.0163 ( 8592 PWs) bands (ev): -36.2444 -36.2444 -36.2444 -36.2444 -10.7929 -10.7929 -10.7929 -10.7929 -10.0418 -10.0418 -10.0418 -10.0418 2.0267 2.0267 2.0267 2.0267 3.0313 3.0313 3.0314 3.0314 4.0974 4.0974 4.0975 4.0975 4.6849 4.6849 4.6861 4.6861 4.8706 4.8706 4.8709 4.8709 5.1208 5.1208 5.1215 5.1215 6.3150 6.3150 6.3275 6.3275 6.3907 6.3907 6.4047 6.4047 7.3058 7.3058 7.3147 7.3147 7.4040 7.4040 7.4108 7.4108 8.0078 8.0078 8.0083 8.0083 k = 0.5000 0.3275-0.0000 ( 8602 PWs) bands (ev): -36.2444 -36.2444 -36.2444 -36.2444 -10.7933 -10.7933 -10.7933 -10.7933 -10.0416 -10.0416 -10.0416 -10.0416 2.0265 2.0265 2.0265 2.0265 3.0318 3.0318 3.0318 3.0318 4.0989 4.0989 4.0989 4.0989 4.6894 4.6894 4.6894 4.6894 4.8698 4.8698 4.8698 4.8698 5.1234 5.1234 5.1234 5.1234 6.3235 6.3235 6.3235 6.3235 6.3928 6.3928 6.3928 6.3928 7.3081 7.3081 7.3081 7.3081 7.4058 7.4058 7.4058 7.4058 8.0065 8.0065 8.0065 8.0065 k = 0.0000 0.0000 0.9125 ( 8534 PWs) bands (ev): -36.2429 -36.2429 -36.2429 -36.2429 -10.2960 -10.2960 -10.2960 -10.2960 -10.2480 -10.2480 -10.2480 -10.2480 1.1195 1.1195 1.1195 1.1195 2.2774 2.2774 2.2774 2.2774 2.5008 2.5008 2.5008 2.5008 3.5179 3.5179 3.5179 3.5179 3.9362 3.9362 3.9362 3.9362 5.9204 5.9204 5.9204 5.9204 7.3440 7.3440 7.3440 7.3440 7.6780 7.6780 7.6780 7.6780 7.8366 7.8366 7.8366 7.8366 8.9757 8.9757 8.9757 8.9757 10.4480 10.4480 10.4480 10.4480 k = 0.0139 0.0091 0.9125 ( 8534 PWs) bands (ev): -36.2429 -36.2429 -36.2429 -36.2429 -10.2963 -10.2963 -10.2957 -10.2957 -10.2483 -10.2483 -10.2476 -10.2476 1.1198 1.1198 1.1199 1.1199 2.2764 2.2764 2.2767 2.2767 2.5009 2.5009 2.5015 2.5015 3.5138 3.5138 3.5142 3.5142 3.9406 3.9406 3.9409 3.9409 5.9202 5.9202 5.9203 5.9203 7.3435 7.3435 7.3453 7.3453 7.6767 7.6767 7.6784 7.6784 7.8365 7.8365 7.8367 7.8367 8.9747 8.9747 8.9749 8.9749 10.4480 10.4480 10.4480 10.4480 k = 0.0278 0.0182 0.9125 ( 8522 PWs) bands (ev): -36.2429 -36.2429 -36.2429 -36.2429 -10.2968 -10.2968 -10.2955 -10.2955 -10.2485 -10.2485 -10.2472 -10.2472 1.1208 1.1208 1.1210 1.1210 2.2739 2.2739 2.2744 2.2744 2.5017 2.5017 2.5029 2.5029 3.5025 3.5025 3.5033 3.5033 3.9534 3.9534 3.9541 3.9541 5.9196 5.9196 5.9198 5.9198 7.3439 7.3439 7.3476 7.3476 7.6745 7.6745 7.6781 7.6781 7.8365 7.8365 7.8369 7.8369 8.9716 8.9716 8.9720 8.9720 10.4480 10.4480 10.4480 10.4480 k = 0.0417 0.0273 0.9125 ( 8518 PWs) bands (ev): -36.2429 -36.2429 -36.2429 -36.2429 -10.2974 -10.2974 -10.2954 -10.2954 -10.2486 -10.2486 -10.2466 -10.2466 1.1225 1.1225 1.1229 1.1229 2.2698 2.2698 2.2706 2.2706 2.5032 2.5032 2.5050 2.5050 3.4856 3.4856 3.4867 3.4867 3.9732 3.9732 3.9742 3.9742 5.9186 5.9186 5.9190 5.9190 7.3452 7.3452 7.3507 7.3507 7.6716 7.6716 7.6769 7.6769 7.8366 7.8366 7.8372 7.8372 8.9667 8.9667 8.9674 8.9674 10.4480 10.4480 10.4480 10.4480 k = 0.0556 0.0364 0.9125 ( 8514 PWs) bands (ev): -36.2429 -36.2429 -36.2429 -36.2429 -10.2980 -10.2980 -10.2955 -10.2955 -10.2485 -10.2485 -10.2460 -10.2460 1.1250 1.1250 1.1254 1.1254 2.2644 2.2644 2.2654 2.2654 2.5054 2.5054 2.5077 2.5077 3.4647 3.4647 3.4661 3.4661 3.9982 3.9982 3.9994 3.9994 5.9173 5.9173 5.9178 5.9178 7.3473 7.3473 7.3548 7.3548 7.6678 7.6678 7.6749 7.6749 7.8367 7.8367 7.8376 7.8376 8.9601 8.9601 8.9610 8.9610 10.4479 10.4479 10.4480 10.4480 k = 0.0694 0.0455 0.9125 ( 8524 PWs) bands (ev): -36.2429 -36.2429 -36.2429 -36.2429 -10.2987 -10.2987 -10.2956 -10.2956 -10.2484 -10.2484 -10.2453 -10.2453 1.1279 1.1279 1.1285 1.1285 2.2579 2.2579 2.2590 2.2590 2.5080 2.5080 2.5108 2.5108 3.4414 3.4414 3.4430 3.4430 4.0267 4.0267 4.0281 4.0281 5.9157 5.9157 5.9164 5.9164 7.3502 7.3502 7.3597 7.3597 7.6633 7.6633 7.6722 7.6722 7.8367 7.8367 7.8381 7.8381 8.9520 8.9520 8.9531 8.9531 10.4479 10.4479 10.4480 10.4480 k = 0.0833 0.0546 0.9125 ( 8530 PWs) bands (ev): -36.2429 -36.2429 -36.2429 -36.2429 -10.2994 -10.2994 -10.2958 -10.2958 -10.2482 -10.2482 -10.2446 -10.2446 1.1315 1.1315 1.1321 1.1321 2.2504 2.2504 2.2517 2.2517 2.5110 2.5110 2.5142 2.5142 3.4170 3.4170 3.4188 3.4188 4.0571 4.0571 4.0587 4.0587 5.9138 5.9138 5.9146 5.9146 7.3538 7.3538 7.3655 7.3655 7.6580 7.6580 7.6688 7.6688 7.8368 7.8368 7.8386 7.8386 8.9426 8.9426 8.9440 8.9440 10.4479 10.4479 10.4480 10.4480 k = 0.0972 0.0637 0.9125 ( 8530 PWs) bands (ev): -36.2429 -36.2429 -36.2429 -36.2429 -10.3001 -10.3001 -10.2960 -10.2960 -10.2479 -10.2479 -10.2439 -10.2439 1.1354 1.1354 1.1362 1.1362 2.2422 2.2422 2.2435 2.2435 2.5142 2.5142 2.5178 2.5178 3.3924 3.3924 3.3945 3.3945 4.0885 4.0885 4.0902 4.0902 5.9118 5.9118 5.9127 5.9127 7.3582 7.3582 7.3721 7.3721 7.6519 7.6519 7.6647 7.6647 7.8369 7.8369 7.8392 7.8392 8.9323 8.9323 8.9338 8.9338 10.4479 10.4479 10.4480 10.4480 k = 0.1111 0.0728 0.9125 ( 8524 PWs) bands (ev): -36.2429 -36.2429 -36.2429 -36.2429 -10.3008 -10.3008 -10.2963 -10.2963 -10.2476 -10.2476 -10.2432 -10.2432 1.1397 1.1397 1.1405 1.1405 2.2336 2.2336 2.2350 2.2350 2.5175 2.5175 2.5214 2.5214 3.3686 3.3686 3.3707 3.3707 4.1197 4.1197 4.1216 4.1216 5.9095 5.9095 5.9105 5.9105 7.3631 7.3631 7.3794 7.3794 7.6452 7.6452 7.6600 7.6600 7.8369 7.8369 7.8398 7.8398 8.9213 8.9213 8.9231 8.9231 10.4479 10.4479 10.4480 10.4480 k = 0.1250 0.0819 0.9125 ( 8528 PWs) bands (ev): -36.2429 -36.2429 -36.2429 -36.2429 -10.3015 -10.3015 -10.2967 -10.2967 -10.2472 -10.2472 -10.2424 -10.2424 1.1441 1.1441 1.1451 1.1451 2.2248 2.2248 2.2261 2.2261 2.5208 2.5208 2.5251 2.5251 3.3459 3.3459 3.3482 3.3482 4.1501 4.1501 4.1521 4.1521 5.9071 5.9071 5.9083 5.9083 7.3685 7.3685 7.3875 7.3875 7.6379 7.6379 7.6549 7.6549 7.8369 7.8369 7.8404 7.8404 8.9099 8.9099 8.9120 8.9120 10.4479 10.4479 10.4480 10.4480 k = 0.1389 0.0910 0.9125 ( 8522 PWs) bands (ev): -36.2429 -36.2429 -36.2429 -36.2429 -10.3021 -10.3021 -10.2971 -10.2971 -10.2469 -10.2469 -10.2418 -10.2418 1.1487 1.1487 1.1497 1.1497 2.2160 2.2160 2.2173 2.2173 2.5240 2.5240 2.5286 2.5286 3.3248 3.3248 3.3273 3.3273 4.1790 4.1790 4.1812 4.1812 5.9047 5.9047 5.9060 5.9060 7.3743 7.3743 7.3961 7.3961 7.6300 7.6300 7.6493 7.6493 7.8369 7.8369 7.8410 7.8410 8.8986 8.8986 8.9009 8.9009 10.4479 10.4479 10.4480 10.4480 k = 0.1528 0.1001 0.9125 ( 8522 PWs) bands (ev): -36.2429 -36.2429 -36.2429 -36.2429 -10.3028 -10.3028 -10.2974 -10.2974 -10.2465 -10.2465 -10.2412 -10.2412 1.1531 1.1531 1.1542 1.1542 2.2075 2.2075 2.2088 2.2088 2.5271 2.5271 2.5318 2.5318 3.3056 3.3056 3.3082 3.3082 4.2059 4.2059 4.2081 4.2081 5.9023 5.9023 5.9037 5.9037 7.3803 7.3803 7.4051 7.4051 7.6217 7.6217 7.6436 7.6436 7.8368 7.8368 7.8415 7.8415 8.8876 8.8876 8.8902 8.8902 10.4479 10.4479 10.4480 10.4480 k = 0.1667 0.1092 0.9125 ( 8538 PWs) bands (ev): -36.2429 -36.2429 -36.2429 -36.2429 -10.3033 -10.3033 -10.2978 -10.2978 -10.2462 -10.2462 -10.2406 -10.2406 1.1573 1.1573 1.1586 1.1586 2.1995 2.1995 2.2008 2.2008 2.5299 2.5299 2.5348 2.5348 3.2886 3.2886 3.2914 3.2914 4.2301 4.2301 4.2324 4.2324 5.9000 5.9000 5.9015 5.9015 7.3864 7.3864 7.4144 7.4144 7.6131 7.6131 7.6379 7.6379 7.8367 7.8367 7.8420 7.8420 8.8773 8.8773 8.8802 8.8802 10.4479 10.4479 10.4480 10.4480 k = 0.1806 0.1183 0.9125 ( 8532 PWs) bands (ev): -36.2429 -36.2429 -36.2429 -36.2429 -10.3038 -10.3038 -10.2981 -10.2981 -10.2458 -10.2458 -10.2401 -10.2401 1.1612 1.1612 1.1625 1.1625 2.1923 2.1923 2.1935 2.1935 2.5323 2.5323 2.5375 2.5375 3.2739 3.2739 3.2768 3.2768 4.2514 4.2514 4.2538 4.2538 5.8979 5.8979 5.8994 5.8994 7.3922 7.3922 7.4236 7.4236 7.6045 7.6045 7.6323 7.6323 7.8366 7.8366 7.8425 7.8425 8.8680 8.8680 8.8711 8.8711 10.4479 10.4479 10.4480 10.4480 k = 0.1944 0.1274 0.9125 ( 8532 PWs) bands (ev): -36.2429 -36.2429 -36.2429 -36.2429 -10.3042 -10.3042 -10.2983 -10.2983 -10.2456 -10.2456 -10.2397 -10.2397 1.1646 1.1646 1.1660 1.1660 2.1861 2.1861 2.1872 2.1872 2.5344 2.5344 2.5397 2.5397 3.2617 3.2617 3.2648 3.2648 4.2693 4.2693 4.2718 4.2718 5.8960 5.8960 5.8977 5.8977 7.3975 7.3975 7.4325 7.4325 7.5962 7.5962 7.6272 7.6272 7.8365 7.8365 7.8429 7.8429 8.8600 8.8600 8.8633 8.8633 10.4478 10.4478 10.4480 10.4480 k = 0.2083 0.1365 0.9125 ( 8528 PWs) bands (ev): -36.2429 -36.2429 -36.2429 -36.2429 -10.3045 -10.3045 -10.2986 -10.2986 -10.2453 -10.2453 -10.2393 -10.2393 1.1674 1.1674 1.1688 1.1688 2.1810 2.1810 2.1821 2.1821 2.5361 2.5361 2.5415 2.5415 3.2522 3.2522 3.2553 3.2553 4.2835 4.2835 4.2861 4.2861 5.8945 5.8945 5.8962 5.8962 7.4021 7.4021 7.4405 7.4405 7.5887 7.5887 7.6228 7.6228 7.8364 7.8364 7.8432 7.8432 8.8535 8.8535 8.8570 8.8570 10.4478 10.4478 10.4480 10.4480 k = 0.2222 0.1456 0.9125 ( 8538 PWs) bands (ev): -36.2429 -36.2429 -36.2429 -36.2429 -10.3048 -10.3048 -10.2987 -10.2987 -10.2452 -10.2452 -10.2391 -10.2391 1.1694 1.1694 1.1709 1.1709 2.1773 2.1773 2.1784 2.1784 2.5373 2.5373 2.5428 2.5428 3.2453 3.2453 3.2485 3.2485 4.2939 4.2939 4.2965 4.2965 5.8934 5.8934 5.8951 5.8951 7.4057 7.4057 7.4470 7.4470 7.5825 7.5825 7.6194 7.6194 7.8363 7.8363 7.8434 7.8434 8.8488 8.8488 8.8523 8.8523 10.4478 10.4478 10.4480 10.4480 k = 0.2361 0.1547 0.9125 ( 8532 PWs) bands (ev): -36.2429 -36.2429 -36.2429 -36.2429 -10.3049 -10.3049 -10.2988 -10.2988 -10.2451 -10.2451 -10.2389 -10.2389 1.1707 1.1707 1.1722 1.1722 2.1750 2.1750 2.1761 2.1761 2.5381 2.5381 2.5436 2.5436 3.2411 3.2411 3.2444 3.2444 4.3002 4.3002 4.3028 4.3028 5.8927 5.8927 5.8944 5.8944 7.4079 7.4079 7.4513 7.4513 7.5784 7.5784 7.6173 7.6173 7.8362 7.8362 7.8436 7.8436 8.8458 8.8458 8.8495 8.8495 10.4478 10.4478 10.4480 10.4480 k = 0.2500 0.1638 0.9125 ( 8540 PWs) bands (ev): -36.2429 -36.2429 -36.2429 -36.2429 -10.3050 -10.3050 -10.2989 -10.2989 -10.2450 -10.2450 -10.2389 -10.2389 1.1711 1.1711 1.1726 1.1726 2.1743 2.1743 2.1753 2.1753 2.5383 2.5383 2.5438 2.5438 3.2398 3.2398 3.2430 3.2430 4.3023 4.3023 4.3049 4.3049 5.8924 5.8924 5.8942 5.8942 7.4087 7.4087 7.4528 7.4528 7.5770 7.5770 7.6165 7.6165 7.8362 7.8362 7.8436 7.8436 8.8448 8.8448 8.8485 8.8485 10.4478 10.4478 10.4480 10.4480 Writing output data file LiFeO2.save init_run : 0.57s CPU 0.71s WALL ( 1 calls) electrons : 268.00s CPU 270.94s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 267.99s CPU 270.92s 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 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.12s CPU 0.15s WALL ( 367 calls) cegterg : 229.13s CPU 230.99s WALL ( 367 calls) Called by sum_band: Called by *egterg: h_psi : 196.66s CPU 198.41s WALL ( 4318 calls) s_psi : 7.19s CPU 7.10s WALL ( 4318 calls) g_psi : 0.50s CPU 0.48s WALL ( 3584 calls) cdiaghg : 32.74s CPU 32.94s WALL ( 3951 calls) cegterg:over : 9.48s CPU 9.75s WALL ( 3584 calls) cegterg:upda : 8.06s CPU 8.03s WALL ( 3584 calls) cegterg:last : 5.28s CPU 5.31s WALL ( 1101 calls) cdiaghg:chol : 1.89s CPU 1.93s WALL ( 3951 calls) cdiaghg:inve : 1.29s CPU 1.26s WALL ( 3951 calls) cdiaghg:para : 2.06s CPU 2.05s WALL ( 7902 calls) Called by h_psi: h_psi:vloc : 181.17s CPU 182.69s WALL ( 4318 calls) h_psi:vnl : 15.00s CPU 15.28s WALL ( 4318 calls) add_vuspsi : 7.44s CPU 7.53s WALL ( 4318 calls) General routines calbec : 7.54s CPU 7.73s WALL ( 4318 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 172.54s CPU 173.84s WALL ( 824660 calls) davcio : 0.39s CPU 0.49s WALL ( 734 calls) Parallel routines fft_scatter : 54.57s CPU 55.66s WALL ( 824675 calls) PWSCF : 4m58.47s CPU 5m26.34s WALL This run was terminated on: 18:26: 2 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=