Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:56:38 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: ./PbO2.save/ file Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D 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 29 16 5 619 267 45 Max 30 17 6 624 280 48 Sum 1045 595 187 22419 9841 1687 bravais-lattice index = 14 lattice parameter (alat) = 6.8683 a.u. unit-cell volume = 229.1004 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.868264 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) 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 Pb read from file: /users/gautes/Pseudo/Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 75f9fe62f948a5acf869e43db2c29526 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Pb 14.00 207.20000 Pb( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 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 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 407 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024570 k( 2) = ( 0.0080645 -0.0046561 0.0065847), wk = 0.0024570 k( 3) = ( 0.0161290 -0.0093121 0.0131693), wk = 0.0024570 k( 4) = ( 0.0241936 -0.0139682 0.0197540), wk = 0.0024570 k( 5) = ( 0.0322581 -0.0186242 0.0263386), wk = 0.0024570 k( 6) = ( 0.0403226 -0.0232803 0.0329232), wk = 0.0024570 k( 7) = ( 0.0483871 -0.0279363 0.0395079), wk = 0.0024570 k( 8) = ( 0.0564516 -0.0325924 0.0460925), wk = 0.0024570 k( 9) = ( 0.0645161 -0.0372484 0.0526772), wk = 0.0024570 k( 10) = ( 0.0725806 -0.0419045 0.0592619), wk = 0.0024570 k( 11) = ( 0.0806452 -0.0465605 0.0658465), wk = 0.0024570 k( 12) = ( 0.0887097 -0.0512166 0.0724312), wk = 0.0024570 k( 13) = ( 0.0967742 -0.0558726 0.0790158), wk = 0.0024570 k( 14) = ( 0.1048387 -0.0605287 0.0856004), wk = 0.0024570 k( 15) = ( 0.1129032 -0.0651847 0.0921851), wk = 0.0024570 k( 16) = ( 0.1209677 -0.0698408 0.0987697), wk = 0.0024570 k( 17) = ( 0.1290323 -0.0744968 0.1053544), wk = 0.0024570 k( 18) = ( 0.1370968 -0.0791529 0.1119390), wk = 0.0024570 k( 19) = ( 0.1451613 -0.0838089 0.1185237), wk = 0.0024570 k( 20) = ( 0.1532258 -0.0884650 0.1251083), wk = 0.0024570 k( 21) = ( 0.1612903 -0.0931210 0.1316930), wk = 0.0024570 k( 22) = ( 0.1693548 -0.0977771 0.1382776), wk = 0.0024570 k( 23) = ( 0.1774194 -0.1024331 0.1448623), wk = 0.0024570 k( 24) = ( 0.1854839 -0.1070892 0.1514469), wk = 0.0024570 k( 25) = ( 0.1935484 -0.1117452 0.1580316), wk = 0.0024570 k( 26) = ( 0.2016129 -0.1164013 0.1646162), wk = 0.0024570 k( 27) = ( 0.2096774 -0.1210573 0.1712009), wk = 0.0024570 k( 28) = ( 0.2177419 -0.1257134 0.1777855), wk = 0.0024570 k( 29) = ( 0.2258064 -0.1303694 0.1843702), wk = 0.0024570 k( 30) = ( 0.2338710 -0.1350255 0.1909548), wk = 0.0024570 k( 31) = ( 0.2419355 -0.1396815 0.1975395), wk = 0.0024570 k( 32) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0024570 k( 33) = ( 0.2580645 -0.1489936 0.2107088), wk = 0.0024570 k( 34) = ( 0.2661290 -0.1536497 0.2172934), wk = 0.0024570 k( 35) = ( 0.2741936 -0.1583057 0.2238781), wk = 0.0024570 k( 36) = ( 0.2822581 -0.1629618 0.2304627), wk = 0.0024570 k( 37) = ( 0.2903226 -0.1676178 0.2370474), wk = 0.0024570 k( 38) = ( 0.2983871 -0.1722739 0.2436320), wk = 0.0024570 k( 39) = ( 0.3064516 -0.1769299 0.2502167), wk = 0.0024570 k( 40) = ( 0.3145161 -0.1815860 0.2568013), wk = 0.0024570 k( 41) = ( 0.3225807 -0.1862420 0.2633860), wk = 0.0024570 k( 42) = ( 0.3306452 -0.1908981 0.2699706), wk = 0.0024570 k( 43) = ( 0.3387097 -0.1955541 0.2765553), wk = 0.0024570 k( 44) = ( 0.3467742 -0.2002102 0.2831399), wk = 0.0024570 k( 45) = ( 0.3548387 -0.2048662 0.2897246), wk = 0.0024570 k( 46) = ( 0.3629032 -0.2095223 0.2963092), wk = 0.0024570 k( 47) = ( 0.3709677 -0.2141783 0.3028939), wk = 0.0024570 k( 48) = ( 0.3790323 -0.2188344 0.3094785), wk = 0.0024570 k( 49) = ( 0.3870968 -0.2234904 0.3160632), wk = 0.0024570 k( 50) = ( 0.3951613 -0.2281465 0.3226478), wk = 0.0024570 k( 51) = ( 0.4032258 -0.2328025 0.3292325), wk = 0.0024570 k( 52) = ( 0.4112903 -0.2374586 0.3358171), wk = 0.0024570 k( 53) = ( 0.4193548 -0.2421146 0.3424018), wk = 0.0024570 k( 54) = ( 0.4274193 -0.2467707 0.3489864), wk = 0.0024570 k( 55) = ( 0.4354839 -0.2514267 0.3555711), wk = 0.0024570 k( 56) = ( 0.4435484 -0.2560828 0.3621557), wk = 0.0024570 k( 57) = ( 0.4516129 -0.2607388 0.3687404), wk = 0.0024570 k( 58) = ( 0.4596774 -0.2653949 0.3753250), wk = 0.0024570 k( 59) = ( 0.4677419 -0.2700509 0.3819097), wk = 0.0024570 k( 60) = ( 0.4758064 -0.2747070 0.3884943), wk = 0.0024570 k( 61) = ( 0.4838710 -0.2793630 0.3950790), wk = 0.0024570 k( 62) = ( 0.4919355 -0.2840191 0.4016636), wk = 0.0024570 k( 63) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0024570 k( 64) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0024570 k( 65) = ( 0.5000000 -0.2793630 0.4148329), wk = 0.0024570 k( 66) = ( 0.5000000 -0.2700509 0.4214176), wk = 0.0024570 k( 67) = ( 0.5000000 -0.2607388 0.4280022), wk = 0.0024570 k( 68) = ( 0.5000000 -0.2514267 0.4345869), wk = 0.0024570 k( 69) = ( 0.5000000 -0.2421146 0.4411715), wk = 0.0024570 k( 70) = ( 0.5000000 -0.2328025 0.4477562), wk = 0.0024570 k( 71) = ( 0.5000000 -0.2234904 0.4543408), wk = 0.0024570 k( 72) = ( 0.5000000 -0.2141783 0.4609255), wk = 0.0024570 k( 73) = ( 0.5000000 -0.2048662 0.4675101), wk = 0.0024570 k( 74) = ( 0.5000000 -0.1955541 0.4740948), wk = 0.0024570 k( 75) = ( 0.5000000 -0.1862420 0.4806794), wk = 0.0024570 k( 76) = ( 0.5000000 -0.1769299 0.4872641), wk = 0.0024570 k( 77) = ( 0.5000000 -0.1676178 0.4938487), wk = 0.0024570 k( 78) = ( 0.5000000 -0.1583057 0.5004334), wk = 0.0024570 k( 79) = ( 0.5000000 -0.1489936 0.5070180), wk = 0.0024570 k( 80) = ( 0.5000000 -0.1396815 0.5136027), wk = 0.0024570 k( 81) = ( 0.5000000 -0.1303694 0.5201873), wk = 0.0024570 k( 82) = ( 0.5000000 -0.1210573 0.5267720), wk = 0.0024570 k( 83) = ( 0.5000000 -0.1117452 0.5333566), wk = 0.0024570 k( 84) = ( 0.5000000 -0.1024331 0.5399413), wk = 0.0024570 k( 85) = ( 0.5000000 -0.0931210 0.5465259), wk = 0.0024570 k( 86) = ( 0.5000000 -0.0838089 0.5531106), wk = 0.0024570 k( 87) = ( 0.5000000 -0.0744968 0.5596952), wk = 0.0024570 k( 88) = ( 0.5000000 -0.0651847 0.5662799), wk = 0.0024570 k( 89) = ( 0.5000000 -0.0558726 0.5728645), wk = 0.0024570 k( 90) = ( 0.5000000 -0.0465605 0.5794492), wk = 0.0024570 k( 91) = ( 0.5000000 -0.0372484 0.5860338), wk = 0.0024570 k( 92) = ( 0.5000000 -0.0279363 0.5926185), wk = 0.0024570 k( 93) = ( 0.5000000 -0.0186242 0.5992031), wk = 0.0024570 k( 94) = ( 0.5000000 -0.0093121 0.6057878), wk = 0.0024570 k( 95) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0024570 k( 96) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0024570 k( 97) = ( 0.4943182 0.0098412 0.6123724), wk = 0.0024570 k( 98) = ( 0.4886364 0.0196824 0.6123724), wk = 0.0024570 k( 99) = ( 0.4829545 0.0295236 0.6123724), wk = 0.0024570 k( 100) = ( 0.4772727 0.0393648 0.6123724), wk = 0.0024570 k( 101) = ( 0.4715909 0.0492060 0.6123724), wk = 0.0024570 k( 102) = ( 0.4659091 0.0590472 0.6123724), wk = 0.0024570 k( 103) = ( 0.4602273 0.0688884 0.6123724), wk = 0.0024570 k( 104) = ( 0.4545455 0.0787296 0.6123724), wk = 0.0024570 k( 105) = ( 0.4488636 0.0885708 0.6123724), wk = 0.0024570 k( 106) = ( 0.4431818 0.0984120 0.6123724), wk = 0.0024570 k( 107) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0024570 k( 108) = ( 0.4318182 0.1180944 0.6123724), wk = 0.0024570 k( 109) = ( 0.4261364 0.1279356 0.6123724), wk = 0.0024570 k( 110) = ( 0.4204545 0.1377768 0.6123724), wk = 0.0024570 k( 111) = ( 0.4147727 0.1476180 0.6123724), wk = 0.0024570 k( 112) = ( 0.4090909 0.1574592 0.6123724), wk = 0.0024570 k( 113) = ( 0.4034091 0.1673004 0.6123724), wk = 0.0024570 k( 114) = ( 0.3977273 0.1771416 0.6123724), wk = 0.0024570 k( 115) = ( 0.3920455 0.1869828 0.6123724), wk = 0.0024570 k( 116) = ( 0.3863636 0.1968239 0.6123724), wk = 0.0024570 k( 117) = ( 0.3806818 0.2066652 0.6123724), wk = 0.0024570 k( 118) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0024570 k( 119) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0024570 k( 120) = ( 0.3692308 0.2131755 0.6029513), wk = 0.0024570 k( 121) = ( 0.3634615 0.2098446 0.5935302), wk = 0.0024570 k( 122) = ( 0.3576923 0.2065138 0.5841091), wk = 0.0024570 k( 123) = ( 0.3519231 0.2031829 0.5746880), wk = 0.0024570 k( 124) = ( 0.3461538 0.1998520 0.5652669), wk = 0.0024570 k( 125) = ( 0.3403846 0.1965212 0.5558457), wk = 0.0024570 k( 126) = ( 0.3346154 0.1931903 0.5464246), wk = 0.0024570 k( 127) = ( 0.3288462 0.1898594 0.5370035), wk = 0.0024570 k( 128) = ( 0.3230769 0.1865285 0.5275824), wk = 0.0024570 k( 129) = ( 0.3173077 0.1831977 0.5181613), wk = 0.0024570 k( 130) = ( 0.3115385 0.1798668 0.5087402), wk = 0.0024570 k( 131) = ( 0.3057692 0.1765359 0.4993191), wk = 0.0024570 k( 132) = ( 0.3000000 0.1732051 0.4898979), wk = 0.0024570 k( 133) = ( 0.2942308 0.1698742 0.4804768), wk = 0.0024570 k( 134) = ( 0.2884615 0.1665433 0.4710557), wk = 0.0024570 k( 135) = ( 0.2826923 0.1632125 0.4616346), wk = 0.0024570 k( 136) = ( 0.2769231 0.1598816 0.4522135), wk = 0.0024570 k( 137) = ( 0.2711538 0.1565507 0.4427924), wk = 0.0024570 k( 138) = ( 0.2653846 0.1532199 0.4333713), wk = 0.0024570 k( 139) = ( 0.2596154 0.1498890 0.4239502), wk = 0.0024570 k( 140) = ( 0.2538461 0.1465581 0.4145290), wk = 0.0024570 k( 141) = ( 0.2480769 0.1432273 0.4051079), wk = 0.0024570 k( 142) = ( 0.2423077 0.1398964 0.3956868), wk = 0.0024570 k( 143) = ( 0.2365385 0.1365655 0.3862657), wk = 0.0024570 k( 144) = ( 0.2307692 0.1332347 0.3768446), wk = 0.0024570 k( 145) = ( 0.2250000 0.1299038 0.3674235), wk = 0.0024570 k( 146) = ( 0.2192308 0.1265729 0.3580023), wk = 0.0024570 k( 147) = ( 0.2134615 0.1232421 0.3485812), wk = 0.0024570 k( 148) = ( 0.2076923 0.1199112 0.3391601), wk = 0.0024570 k( 149) = ( 0.2019231 0.1165803 0.3297390), wk = 0.0024570 k( 150) = ( 0.1961538 0.1132495 0.3203179), wk = 0.0024570 k( 151) = ( 0.1903846 0.1099186 0.3108968), wk = 0.0024570 k( 152) = ( 0.1846154 0.1065877 0.3014757), wk = 0.0024570 k( 153) = ( 0.1788462 0.1032569 0.2920546), wk = 0.0024570 k( 154) = ( 0.1730769 0.0999260 0.2826334), wk = 0.0024570 k( 155) = ( 0.1673077 0.0965951 0.2732123), wk = 0.0024570 k( 156) = ( 0.1615385 0.0932643 0.2637912), wk = 0.0024570 k( 157) = ( 0.1557692 0.0899334 0.2543701), wk = 0.0024570 k( 158) = ( 0.1500000 0.0866025 0.2449490), wk = 0.0024570 k( 159) = ( 0.1442308 0.0832717 0.2355279), wk = 0.0024570 k( 160) = ( 0.1384615 0.0799408 0.2261067), wk = 0.0024570 k( 161) = ( 0.1326923 0.0766099 0.2166856), wk = 0.0024570 k( 162) = ( 0.1269231 0.0732791 0.2072645), wk = 0.0024570 k( 163) = ( 0.1211538 0.0699482 0.1978434), wk = 0.0024570 k( 164) = ( 0.1153846 0.0666173 0.1884223), wk = 0.0024570 k( 165) = ( 0.1096154 0.0632865 0.1790012), wk = 0.0024570 k( 166) = ( 0.1038461 0.0599556 0.1695801), wk = 0.0024570 k( 167) = ( 0.0980769 0.0566247 0.1601590), wk = 0.0024570 k( 168) = ( 0.0923077 0.0532939 0.1507378), wk = 0.0024570 k( 169) = ( 0.0865385 0.0499630 0.1413167), wk = 0.0024570 k( 170) = ( 0.0807692 0.0466321 0.1318956), wk = 0.0024570 k( 171) = ( 0.0750000 0.0433013 0.1224745), wk = 0.0024570 k( 172) = ( 0.0692308 0.0399704 0.1130534), wk = 0.0024570 k( 173) = ( 0.0634615 0.0366395 0.1036323), wk = 0.0024570 k( 174) = ( 0.0576923 0.0333087 0.0942111), wk = 0.0024570 k( 175) = ( 0.0519231 0.0299778 0.0847900), wk = 0.0024570 k( 176) = ( 0.0461539 0.0266469 0.0753689), wk = 0.0024570 k( 177) = ( 0.0403846 0.0233161 0.0659478), wk = 0.0024570 k( 178) = ( 0.0346154 0.0199852 0.0565267), wk = 0.0024570 k( 179) = ( 0.0288462 0.0166543 0.0471056), wk = 0.0024570 k( 180) = ( 0.0230769 0.0133235 0.0376845), wk = 0.0024570 k( 181) = ( 0.0173077 0.0099926 0.0282633), wk = 0.0024570 k( 182) = ( 0.0115385 0.0066617 0.0188422), wk = 0.0024570 k( 183) = ( 0.0057692 0.0033309 0.0094211), wk = 0.0024570 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024570 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024570 k( 186) = ( 0.0094340 0.0054467 0.0038514), wk = 0.0024570 k( 187) = ( 0.0188679 0.0108934 0.0077028), wk = 0.0024570 k( 188) = ( 0.0283019 0.0163401 0.0115542), wk = 0.0024570 k( 189) = ( 0.0377359 0.0217868 0.0154056), wk = 0.0024570 k( 190) = ( 0.0471698 0.0272335 0.0192570), wk = 0.0024570 k( 191) = ( 0.0566038 0.0326802 0.0231084), wk = 0.0024570 k( 192) = ( 0.0660377 0.0381269 0.0269598), wk = 0.0024570 k( 193) = ( 0.0754717 0.0435736 0.0308112), wk = 0.0024570 k( 194) = ( 0.0849057 0.0490203 0.0346626), wk = 0.0024570 k( 195) = ( 0.0943396 0.0544670 0.0385140), wk = 0.0024570 k( 196) = ( 0.1037736 0.0599137 0.0423654), wk = 0.0024570 k( 197) = ( 0.1132076 0.0653604 0.0462168), wk = 0.0024570 k( 198) = ( 0.1226415 0.0708071 0.0500682), wk = 0.0024570 k( 199) = ( 0.1320755 0.0762538 0.0539196), wk = 0.0024570 k( 200) = ( 0.1415094 0.0817005 0.0577710), wk = 0.0024570 k( 201) = ( 0.1509434 0.0871472 0.0616224), wk = 0.0024570 k( 202) = ( 0.1603774 0.0925939 0.0654738), wk = 0.0024570 k( 203) = ( 0.1698113 0.0980406 0.0693252), wk = 0.0024570 k( 204) = ( 0.1792453 0.1034873 0.0731766), wk = 0.0024570 k( 205) = ( 0.1886792 0.1089340 0.0770280), wk = 0.0024570 k( 206) = ( 0.1981132 0.1143807 0.0808794), wk = 0.0024570 k( 207) = ( 0.2075472 0.1198274 0.0847308), wk = 0.0024570 k( 208) = ( 0.2169811 0.1252741 0.0885822), wk = 0.0024570 k( 209) = ( 0.2264151 0.1307208 0.0924336), wk = 0.0024570 k( 210) = ( 0.2358491 0.1361675 0.0962850), wk = 0.0024570 k( 211) = ( 0.2452830 0.1416142 0.1001364), wk = 0.0024570 k( 212) = ( 0.2547170 0.1470609 0.1039878), wk = 0.0024570 k( 213) = ( 0.2641509 0.1525076 0.1078392), wk = 0.0024570 k( 214) = ( 0.2735849 0.1579543 0.1116906), wk = 0.0024570 k( 215) = ( 0.2830189 0.1634010 0.1155420), wk = 0.0024570 k( 216) = ( 0.2924528 0.1688477 0.1193934), wk = 0.0024570 k( 217) = ( 0.3018868 0.1742944 0.1232448), wk = 0.0024570 k( 218) = ( 0.3113207 0.1797411 0.1270962), wk = 0.0024570 k( 219) = ( 0.3207547 0.1851878 0.1309476), wk = 0.0024570 k( 220) = ( 0.3301887 0.1906345 0.1347990), wk = 0.0024570 k( 221) = ( 0.3396226 0.1960812 0.1386504), wk = 0.0024570 k( 222) = ( 0.3490566 0.2015279 0.1425018), wk = 0.0024570 k( 223) = ( 0.3584906 0.2069746 0.1463532), wk = 0.0024570 k( 224) = ( 0.3679245 0.2124213 0.1502046), wk = 0.0024570 k( 225) = ( 0.3773585 0.2178680 0.1540560), wk = 0.0024570 k( 226) = ( 0.3867925 0.2233147 0.1579074), wk = 0.0024570 k( 227) = ( 0.3962264 0.2287614 0.1617588), wk = 0.0024570 k( 228) = ( 0.4056604 0.2342081 0.1656102), wk = 0.0024570 k( 229) = ( 0.4150943 0.2396548 0.1694616), wk = 0.0024570 k( 230) = ( 0.4245283 0.2451015 0.1733130), wk = 0.0024570 k( 231) = ( 0.4339623 0.2505482 0.1771644), wk = 0.0024570 k( 232) = ( 0.4433962 0.2559949 0.1810158), wk = 0.0024570 k( 233) = ( 0.4528302 0.2614416 0.1848672), wk = 0.0024570 k( 234) = ( 0.4622641 0.2668883 0.1887185), wk = 0.0024570 k( 235) = ( 0.4716981 0.2723350 0.1925699), wk = 0.0024570 k( 236) = ( 0.4811321 0.2777817 0.1964213), wk = 0.0024570 k( 237) = ( 0.4905660 0.2832284 0.2002727), wk = 0.0024570 k( 238) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0024570 k( 239) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0024570 k( 240) = ( 0.5032895 0.2791792 0.2094958), wk = 0.0024570 k( 241) = ( 0.5065789 0.2696834 0.2148675), wk = 0.0024570 k( 242) = ( 0.5098684 0.2601875 0.2202392), wk = 0.0024570 k( 243) = ( 0.5131579 0.2506916 0.2256109), wk = 0.0024570 k( 244) = ( 0.5164474 0.2411957 0.2309826), wk = 0.0024570 k( 245) = ( 0.5197368 0.2316998 0.2363543), wk = 0.0024570 k( 246) = ( 0.5230263 0.2222039 0.2417260), wk = 0.0024570 k( 247) = ( 0.5263158 0.2127080 0.2470977), wk = 0.0024570 k( 248) = ( 0.5296053 0.2032121 0.2524693), wk = 0.0024570 k( 249) = ( 0.5328947 0.1937162 0.2578410), wk = 0.0024570 k( 250) = ( 0.5361842 0.1842203 0.2632127), wk = 0.0024570 k( 251) = ( 0.5394737 0.1747244 0.2685844), wk = 0.0024570 k( 252) = ( 0.5427632 0.1652285 0.2739561), wk = 0.0024570 k( 253) = ( 0.5460526 0.1557326 0.2793278), wk = 0.0024570 k( 254) = ( 0.5493421 0.1462367 0.2846995), wk = 0.0024570 k( 255) = ( 0.5526316 0.1367409 0.2900712), wk = 0.0024570 k( 256) = ( 0.5559211 0.1272450 0.2954428), wk = 0.0024570 k( 257) = ( 0.5592105 0.1177491 0.3008145), wk = 0.0024570 k( 258) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0024570 k( 259) = ( 0.5657895 0.0987573 0.3115579), wk = 0.0024570 k( 260) = ( 0.5690789 0.0892614 0.3169296), wk = 0.0024570 k( 261) = ( 0.5723684 0.0797655 0.3223013), wk = 0.0024570 k( 262) = ( 0.5756579 0.0702696 0.3276730), wk = 0.0024570 k( 263) = ( 0.5789474 0.0607737 0.3330447), wk = 0.0024570 k( 264) = ( 0.5822368 0.0512778 0.3384163), wk = 0.0024570 k( 265) = ( 0.5855263 0.0417819 0.3437880), wk = 0.0024570 k( 266) = ( 0.5888158 0.0322860 0.3491597), wk = 0.0024570 k( 267) = ( 0.5921053 0.0227901 0.3545314), wk = 0.0024570 k( 268) = ( 0.5953947 0.0132943 0.3599031), wk = 0.0024570 k( 269) = ( 0.5986842 0.0037984 0.3652748), wk = 0.0024570 k( 270) = ( 0.6019737 -0.0056975 0.3706465), wk = 0.0024570 k( 271) = ( 0.6052632 -0.0151934 0.3760182), wk = 0.0024570 k( 272) = ( 0.6085526 -0.0246893 0.3813898), wk = 0.0024570 k( 273) = ( 0.6118421 -0.0341852 0.3867615), wk = 0.0024570 k( 274) = ( 0.6151316 -0.0436811 0.3921332), wk = 0.0024570 k( 275) = ( 0.6184211 -0.0531770 0.3975049), wk = 0.0024570 k( 276) = ( 0.6217105 -0.0626729 0.4028766), wk = 0.0024570 k( 277) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0024570 k( 278) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0024570 k( 279) = ( 0.6193182 -0.0688884 0.4175267), wk = 0.0024570 k( 280) = ( 0.6136364 -0.0656080 0.4268050), wk = 0.0024570 k( 281) = ( 0.6079545 -0.0623276 0.4360834), wk = 0.0024570 k( 282) = ( 0.6022727 -0.0590472 0.4453618), wk = 0.0024570 k( 283) = ( 0.5965909 -0.0557668 0.4546401), wk = 0.0024570 k( 284) = ( 0.5909091 -0.0524864 0.4639185), wk = 0.0024570 k( 285) = ( 0.5852273 -0.0492060 0.4731969), wk = 0.0024570 k( 286) = ( 0.5795455 -0.0459256 0.4824753), wk = 0.0024570 k( 287) = ( 0.5738636 -0.0426452 0.4917536), wk = 0.0024570 k( 288) = ( 0.5681818 -0.0393648 0.5010320), wk = 0.0024570 k( 289) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0024570 k( 290) = ( 0.5568182 -0.0328040 0.5195887), wk = 0.0024570 k( 291) = ( 0.5511364 -0.0295236 0.5288671), wk = 0.0024570 k( 292) = ( 0.5454545 -0.0262432 0.5381455), wk = 0.0024570 k( 293) = ( 0.5397727 -0.0229628 0.5474238), wk = 0.0024570 k( 294) = ( 0.5340909 -0.0196824 0.5567022), wk = 0.0024570 k( 295) = ( 0.5284091 -0.0164020 0.5659806), wk = 0.0024570 k( 296) = ( 0.5227273 -0.0131216 0.5752590), wk = 0.0024570 k( 297) = ( 0.5170455 -0.0098412 0.5845373), wk = 0.0024570 k( 298) = ( 0.5113636 -0.0065608 0.5938157), wk = 0.0024570 k( 299) = ( 0.5056818 -0.0032804 0.6030941), wk = 0.0024570 k( 300) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0024570 k( 301) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0024570 k( 302) = ( 0.5000000 0.0065608 0.6030941), wk = 0.0024570 k( 303) = ( 0.5000000 0.0131216 0.5938157), wk = 0.0024570 k( 304) = ( 0.5000000 0.0196824 0.5845373), wk = 0.0024570 k( 305) = ( 0.5000000 0.0262432 0.5752590), wk = 0.0024570 k( 306) = ( 0.5000000 0.0328040 0.5659806), wk = 0.0024570 k( 307) = ( 0.5000000 0.0393648 0.5567022), wk = 0.0024570 k( 308) = ( 0.5000000 0.0459256 0.5474238), wk = 0.0024570 k( 309) = ( 0.5000000 0.0524864 0.5381455), wk = 0.0024570 k( 310) = ( 0.5000000 0.0590472 0.5288671), wk = 0.0024570 k( 311) = ( 0.5000000 0.0656080 0.5195887), wk = 0.0024570 k( 312) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0024570 k( 313) = ( 0.5000000 0.0787296 0.5010320), wk = 0.0024570 k( 314) = ( 0.5000000 0.0852904 0.4917536), wk = 0.0024570 k( 315) = ( 0.5000000 0.0918512 0.4824753), wk = 0.0024570 k( 316) = ( 0.5000000 0.0984120 0.4731969), wk = 0.0024570 k( 317) = ( 0.5000000 0.1049728 0.4639185), wk = 0.0024570 k( 318) = ( 0.5000000 0.1115336 0.4546401), wk = 0.0024570 k( 319) = ( 0.5000000 0.1180944 0.4453618), wk = 0.0024570 k( 320) = ( 0.5000000 0.1246552 0.4360834), wk = 0.0024570 k( 321) = ( 0.5000000 0.1312160 0.4268050), wk = 0.0024570 k( 322) = ( 0.5000000 0.1377768 0.4175267), wk = 0.0024570 k( 323) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0024570 k( 324) = ( 0.5000000 0.1508984 0.3989699), wk = 0.0024570 k( 325) = ( 0.5000000 0.1574592 0.3896915), wk = 0.0024570 k( 326) = ( 0.5000000 0.1640200 0.3804132), wk = 0.0024570 k( 327) = ( 0.5000000 0.1705808 0.3711348), wk = 0.0024570 k( 328) = ( 0.5000000 0.1771416 0.3618564), wk = 0.0024570 k( 329) = ( 0.5000000 0.1837024 0.3525781), wk = 0.0024570 k( 330) = ( 0.5000000 0.1902632 0.3432997), wk = 0.0024570 k( 331) = ( 0.5000000 0.1968240 0.3340213), wk = 0.0024570 k( 332) = ( 0.5000000 0.2033847 0.3247430), wk = 0.0024570 k( 333) = ( 0.5000000 0.2099456 0.3154646), wk = 0.0024570 k( 334) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0024570 k( 335) = ( 0.5000000 0.2230672 0.2969078), wk = 0.0024570 k( 336) = ( 0.5000000 0.2296280 0.2876295), wk = 0.0024570 k( 337) = ( 0.5000000 0.2361887 0.2783511), wk = 0.0024570 k( 338) = ( 0.5000000 0.2427495 0.2690727), wk = 0.0024570 k( 339) = ( 0.5000000 0.2493103 0.2597944), wk = 0.0024570 k( 340) = ( 0.5000000 0.2558711 0.2505160), wk = 0.0024570 k( 341) = ( 0.5000000 0.2624319 0.2412376), wk = 0.0024570 k( 342) = ( 0.5000000 0.2689927 0.2319592), wk = 0.0024570 k( 343) = ( 0.5000000 0.2755535 0.2226809), wk = 0.0024570 k( 344) = ( 0.5000000 0.2821143 0.2134025), wk = 0.0024570 k( 345) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0024570 k( 346) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0024570 k( 347) = ( 0.4967105 0.2867760 0.2148675), wk = 0.0024570 k( 348) = ( 0.4934211 0.2848768 0.2256109), wk = 0.0024570 k( 349) = ( 0.4901316 0.2829776 0.2363543), wk = 0.0024570 k( 350) = ( 0.4868421 0.2810784 0.2470976), wk = 0.0024570 k( 351) = ( 0.4835526 0.2791792 0.2578410), wk = 0.0024570 k( 352) = ( 0.4802632 0.2772801 0.2685844), wk = 0.0024570 k( 353) = ( 0.4769737 0.2753809 0.2793278), wk = 0.0024570 k( 354) = ( 0.4736842 0.2734817 0.2900712), wk = 0.0024570 k( 355) = ( 0.4703947 0.2715825 0.3008145), wk = 0.0024570 k( 356) = ( 0.4671053 0.2696833 0.3115579), wk = 0.0024570 k( 357) = ( 0.4638158 0.2677842 0.3223013), wk = 0.0024570 k( 358) = ( 0.4605263 0.2658850 0.3330447), wk = 0.0024570 k( 359) = ( 0.4572368 0.2639858 0.3437880), wk = 0.0024570 k( 360) = ( 0.4539474 0.2620866 0.3545314), wk = 0.0024570 k( 361) = ( 0.4506579 0.2601875 0.3652748), wk = 0.0024570 k( 362) = ( 0.4473684 0.2582883 0.3760182), wk = 0.0024570 k( 363) = ( 0.4440789 0.2563891 0.3867615), wk = 0.0024570 k( 364) = ( 0.4407895 0.2544899 0.3975049), wk = 0.0024570 k( 365) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0024570 k( 366) = ( 0.4342105 0.2506916 0.4189917), wk = 0.0024570 k( 367) = ( 0.4309211 0.2487924 0.4297350), wk = 0.0024570 k( 368) = ( 0.4276316 0.2468932 0.4404784), wk = 0.0024570 k( 369) = ( 0.4243421 0.2449940 0.4512218), wk = 0.0024570 k( 370) = ( 0.4210526 0.2430948 0.4619652), wk = 0.0024570 k( 371) = ( 0.4177632 0.2411957 0.4727085), wk = 0.0024570 k( 372) = ( 0.4144737 0.2392965 0.4834519), wk = 0.0024570 k( 373) = ( 0.4111842 0.2373973 0.4941953), wk = 0.0024570 k( 374) = ( 0.4078947 0.2354981 0.5049387), wk = 0.0024570 k( 375) = ( 0.4046053 0.2335990 0.5156820), wk = 0.0024570 k( 376) = ( 0.4013158 0.2316998 0.5264254), wk = 0.0024570 k( 377) = ( 0.3980263 0.2298006 0.5371688), wk = 0.0024570 k( 378) = ( 0.3947368 0.2279014 0.5479122), wk = 0.0024570 k( 379) = ( 0.3914474 0.2260022 0.5586556), wk = 0.0024570 k( 380) = ( 0.3881579 0.2241031 0.5693989), wk = 0.0024570 k( 381) = ( 0.3848684 0.2222039 0.5801423), wk = 0.0024570 k( 382) = ( 0.3815789 0.2203047 0.5908857), wk = 0.0024570 k( 383) = ( 0.3782895 0.2184055 0.6016291), wk = 0.0024570 k( 384) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0024570 k( 385) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0024570 k( 386) = ( 0.6193182 -0.0820100 0.4082483), wk = 0.0024570 k( 387) = ( 0.6136364 -0.0918512 0.4082483), wk = 0.0024570 k( 388) = ( 0.6079545 -0.1016924 0.4082483), wk = 0.0024570 k( 389) = ( 0.6022727 -0.1115336 0.4082483), wk = 0.0024570 k( 390) = ( 0.5965909 -0.1213748 0.4082483), wk = 0.0024570 k( 391) = ( 0.5909091 -0.1312160 0.4082483), wk = 0.0024570 k( 392) = ( 0.5852273 -0.1410572 0.4082483), wk = 0.0024570 k( 393) = ( 0.5795455 -0.1508984 0.4082483), wk = 0.0024570 k( 394) = ( 0.5738636 -0.1607396 0.4082483), wk = 0.0024570 k( 395) = ( 0.5681818 -0.1705808 0.4082483), wk = 0.0024570 k( 396) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0024570 k( 397) = ( 0.5568182 -0.1902632 0.4082483), wk = 0.0024570 k( 398) = ( 0.5511364 -0.2001043 0.4082483), wk = 0.0024570 k( 399) = ( 0.5454545 -0.2099456 0.4082483), wk = 0.0024570 k( 400) = ( 0.5397727 -0.2197868 0.4082483), wk = 0.0024570 k( 401) = ( 0.5340909 -0.2296279 0.4082483), wk = 0.0024570 k( 402) = ( 0.5284091 -0.2394691 0.4082483), wk = 0.0024570 k( 403) = ( 0.5227273 -0.2493103 0.4082483), wk = 0.0024570 k( 404) = ( 0.5170455 -0.2591515 0.4082483), wk = 0.0024570 k( 405) = ( 0.5113636 -0.2689927 0.4082483), wk = 0.0024570 k( 406) = ( 0.5056818 -0.2788339 0.4082483), wk = 0.0024570 k( 407) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0024570 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024570 k( 2) = ( 0.0080645 0.0000000 0.0080645), wk = 0.0024570 k( 3) = ( 0.0161290 0.0000000 0.0161290), wk = 0.0024570 k( 4) = ( 0.0241936 -0.0000000 0.0241936), wk = 0.0024570 k( 5) = ( 0.0322581 0.0000000 0.0322581), wk = 0.0024570 k( 6) = ( 0.0403226 0.0000000 0.0403226), wk = 0.0024570 k( 7) = ( 0.0483871 -0.0000000 0.0483871), wk = 0.0024570 k( 8) = ( 0.0564516 -0.0000000 0.0564516), wk = 0.0024570 k( 9) = ( 0.0645161 0.0000000 0.0645161), wk = 0.0024570 k( 10) = ( 0.0725806 0.0000000 0.0725806), wk = 0.0024570 k( 11) = ( 0.0806452 0.0000000 0.0806452), wk = 0.0024570 k( 12) = ( 0.0887097 -0.0000000 0.0887097), wk = 0.0024570 k( 13) = ( 0.0967742 -0.0000000 0.0967742), wk = 0.0024570 k( 14) = ( 0.1048387 -0.0000000 0.1048387), wk = 0.0024570 k( 15) = ( 0.1129032 -0.0000000 0.1129032), wk = 0.0024570 k( 16) = ( 0.1209677 -0.0000000 0.1209677), wk = 0.0024570 k( 17) = ( 0.1290323 0.0000000 0.1290323), wk = 0.0024570 k( 18) = ( 0.1370968 0.0000000 0.1370968), wk = 0.0024570 k( 19) = ( 0.1451613 -0.0000000 0.1451613), wk = 0.0024570 k( 20) = ( 0.1532258 -0.0000000 0.1532258), wk = 0.0024570 k( 21) = ( 0.1612903 0.0000000 0.1612903), wk = 0.0024570 k( 22) = ( 0.1693548 -0.0000000 0.1693548), wk = 0.0024570 k( 23) = ( 0.1774194 0.0000000 0.1774194), wk = 0.0024570 k( 24) = ( 0.1854839 -0.0000000 0.1854839), wk = 0.0024570 k( 25) = ( 0.1935484 -0.0000000 0.1935484), wk = 0.0024570 k( 26) = ( 0.2016129 -0.0000000 0.2016129), wk = 0.0024570 k( 27) = ( 0.2096774 -0.0000000 0.2096774), wk = 0.0024570 k( 28) = ( 0.2177419 -0.0000000 0.2177419), wk = 0.0024570 k( 29) = ( 0.2258064 -0.0000000 0.2258064), wk = 0.0024570 k( 30) = ( 0.2338710 -0.0000000 0.2338710), wk = 0.0024570 k( 31) = ( 0.2419355 -0.0000000 0.2419355), wk = 0.0024570 k( 32) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0024570 k( 33) = ( 0.2580645 0.0000000 0.2580645), wk = 0.0024570 k( 34) = ( 0.2661290 0.0000000 0.2661290), wk = 0.0024570 k( 35) = ( 0.2741936 -0.0000000 0.2741936), wk = 0.0024570 k( 36) = ( 0.2822581 -0.0000000 0.2822581), wk = 0.0024570 k( 37) = ( 0.2903226 -0.0000000 0.2903226), wk = 0.0024570 k( 38) = ( 0.2983871 0.0000000 0.2983871), wk = 0.0024570 k( 39) = ( 0.3064516 0.0000000 0.3064516), wk = 0.0024570 k( 40) = ( 0.3145161 0.0000000 0.3145161), wk = 0.0024570 k( 41) = ( 0.3225807 -0.0000000 0.3225807), wk = 0.0024570 k( 42) = ( 0.3306452 -0.0000000 0.3306452), wk = 0.0024570 k( 43) = ( 0.3387097 -0.0000000 0.3387097), wk = 0.0024570 k( 44) = ( 0.3467742 -0.0000000 0.3467742), wk = 0.0024570 k( 45) = ( 0.3548387 -0.0000000 0.3548387), wk = 0.0024570 k( 46) = ( 0.3629032 0.0000000 0.3629032), wk = 0.0024570 k( 47) = ( 0.3709677 -0.0000000 0.3709677), wk = 0.0024570 k( 48) = ( 0.3790323 -0.0000000 0.3790323), wk = 0.0024570 k( 49) = ( 0.3870968 -0.0000000 0.3870968), wk = 0.0024570 k( 50) = ( 0.3951613 -0.0000000 0.3951613), wk = 0.0024570 k( 51) = ( 0.4032258 -0.0000000 0.4032258), wk = 0.0024570 k( 52) = ( 0.4112903 -0.0000000 0.4112903), wk = 0.0024570 k( 53) = ( 0.4193548 -0.0000000 0.4193548), wk = 0.0024570 k( 54) = ( 0.4274193 -0.0000000 0.4274194), wk = 0.0024570 k( 55) = ( 0.4354839 0.0000000 0.4354839), wk = 0.0024570 k( 56) = ( 0.4435484 -0.0000000 0.4435484), wk = 0.0024570 k( 57) = ( 0.4516129 -0.0000000 0.4516129), wk = 0.0024570 k( 58) = ( 0.4596774 -0.0000000 0.4596774), wk = 0.0024570 k( 59) = ( 0.4677419 -0.0000000 0.4677419), wk = 0.0024570 k( 60) = ( 0.4758064 -0.0000000 0.4758064), wk = 0.0024570 k( 61) = ( 0.4838710 -0.0000000 0.4838710), wk = 0.0024570 k( 62) = ( 0.4919355 -0.0000000 0.4919355), wk = 0.0024570 k( 63) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024570 k( 64) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024570 k( 65) = ( 0.5000000 0.0080645 0.5080645), wk = 0.0024570 k( 66) = ( 0.5000000 0.0161290 0.5161290), wk = 0.0024570 k( 67) = ( 0.5000000 0.0241935 0.5241936), wk = 0.0024570 k( 68) = ( 0.5000000 0.0322581 0.5322581), wk = 0.0024570 k( 69) = ( 0.5000000 0.0403226 0.5403226), wk = 0.0024570 k( 70) = ( 0.5000000 0.0483871 0.5483871), wk = 0.0024570 k( 71) = ( 0.5000000 0.0564516 0.5564516), wk = 0.0024570 k( 72) = ( 0.5000000 0.0645161 0.5645161), wk = 0.0024570 k( 73) = ( 0.5000000 0.0725806 0.5725807), wk = 0.0024570 k( 74) = ( 0.5000000 0.0806452 0.5806452), wk = 0.0024570 k( 75) = ( 0.5000000 0.0887097 0.5887097), wk = 0.0024570 k( 76) = ( 0.5000000 0.0967742 0.5967742), wk = 0.0024570 k( 77) = ( 0.5000000 0.1048387 0.6048387), wk = 0.0024570 k( 78) = ( 0.5000000 0.1129032 0.6129032), wk = 0.0024570 k( 79) = ( 0.5000000 0.1209677 0.6209677), wk = 0.0024570 k( 80) = ( 0.5000000 0.1290323 0.6290323), wk = 0.0024570 k( 81) = ( 0.5000000 0.1370968 0.6370968), wk = 0.0024570 k( 82) = ( 0.5000000 0.1451613 0.6451613), wk = 0.0024570 k( 83) = ( 0.5000000 0.1532258 0.6532258), wk = 0.0024570 k( 84) = ( 0.5000000 0.1612903 0.6612903), wk = 0.0024570 k( 85) = ( 0.5000000 0.1693548 0.6693548), wk = 0.0024570 k( 86) = ( 0.5000000 0.1774194 0.6774193), wk = 0.0024570 k( 87) = ( 0.5000000 0.1854839 0.6854839), wk = 0.0024570 k( 88) = ( 0.5000000 0.1935484 0.6935484), wk = 0.0024570 k( 89) = ( 0.5000000 0.2016129 0.7016129), wk = 0.0024570 k( 90) = ( 0.5000000 0.2096774 0.7096774), wk = 0.0024570 k( 91) = ( 0.5000000 0.2177419 0.7177419), wk = 0.0024570 k( 92) = ( 0.5000000 0.2258064 0.7258065), wk = 0.0024570 k( 93) = ( 0.5000000 0.2338710 0.7338710), wk = 0.0024570 k( 94) = ( 0.5000000 0.2419355 0.7419355), wk = 0.0024570 k( 95) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0024570 k( 96) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0024570 k( 97) = ( 0.4943182 0.2556818 0.7500000), wk = 0.0024570 k( 98) = ( 0.4886364 0.2613636 0.7500000), wk = 0.0024570 k( 99) = ( 0.4829545 0.2670455 0.7500000), wk = 0.0024570 k( 100) = ( 0.4772727 0.2727273 0.7500000), wk = 0.0024570 k( 101) = ( 0.4715909 0.2784091 0.7500000), wk = 0.0024570 k( 102) = ( 0.4659091 0.2840909 0.7500000), wk = 0.0024570 k( 103) = ( 0.4602273 0.2897727 0.7500000), wk = 0.0024570 k( 104) = ( 0.4545455 0.2954545 0.7500000), wk = 0.0024570 k( 105) = ( 0.4488636 0.3011364 0.7500000), wk = 0.0024570 k( 106) = ( 0.4431818 0.3068182 0.7500000), wk = 0.0024570 k( 107) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0024570 k( 108) = ( 0.4318182 0.3181818 0.7500000), wk = 0.0024570 k( 109) = ( 0.4261364 0.3238636 0.7500000), wk = 0.0024570 k( 110) = ( 0.4204545 0.3295455 0.7500000), wk = 0.0024570 k( 111) = ( 0.4147727 0.3352273 0.7500000), wk = 0.0024570 k( 112) = ( 0.4090909 0.3409091 0.7500000), wk = 0.0024570 k( 113) = ( 0.4034091 0.3465909 0.7500000), wk = 0.0024570 k( 114) = ( 0.3977273 0.3522727 0.7500000), wk = 0.0024570 k( 115) = ( 0.3920455 0.3579545 0.7500000), wk = 0.0024570 k( 116) = ( 0.3863636 0.3636364 0.7500000), wk = 0.0024570 k( 117) = ( 0.3806818 0.3693182 0.7500000), wk = 0.0024570 k( 118) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0024570 k( 119) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0024570 k( 120) = ( 0.3692308 0.3692308 0.7384615), wk = 0.0024570 k( 121) = ( 0.3634615 0.3634615 0.7269231), wk = 0.0024570 k( 122) = ( 0.3576923 0.3576923 0.7153846), wk = 0.0024570 k( 123) = ( 0.3519231 0.3519231 0.7038462), wk = 0.0024570 k( 124) = ( 0.3461538 0.3461538 0.6923077), wk = 0.0024570 k( 125) = ( 0.3403846 0.3403846 0.6807692), wk = 0.0024570 k( 126) = ( 0.3346154 0.3346154 0.6692308), wk = 0.0024570 k( 127) = ( 0.3288462 0.3288462 0.6576923), wk = 0.0024570 k( 128) = ( 0.3230769 0.3230769 0.6461539), wk = 0.0024570 k( 129) = ( 0.3173077 0.3173077 0.6346154), wk = 0.0024570 k( 130) = ( 0.3115385 0.3115385 0.6230769), wk = 0.0024570 k( 131) = ( 0.3057692 0.3057692 0.6115385), wk = 0.0024570 k( 132) = ( 0.3000000 0.3000000 0.6000000), wk = 0.0024570 k( 133) = ( 0.2942308 0.2942308 0.5884615), wk = 0.0024570 k( 134) = ( 0.2884615 0.2884615 0.5769231), wk = 0.0024570 k( 135) = ( 0.2826923 0.2826923 0.5653846), wk = 0.0024570 k( 136) = ( 0.2769231 0.2769231 0.5538462), wk = 0.0024570 k( 137) = ( 0.2711538 0.2711538 0.5423077), wk = 0.0024570 k( 138) = ( 0.2653846 0.2653846 0.5307692), wk = 0.0024570 k( 139) = ( 0.2596154 0.2596154 0.5192308), wk = 0.0024570 k( 140) = ( 0.2538461 0.2538462 0.5076923), wk = 0.0024570 k( 141) = ( 0.2480769 0.2480769 0.4961539), wk = 0.0024570 k( 142) = ( 0.2423077 0.2423077 0.4846154), wk = 0.0024570 k( 143) = ( 0.2365385 0.2365385 0.4730769), wk = 0.0024570 k( 144) = ( 0.2307692 0.2307692 0.4615385), wk = 0.0024570 k( 145) = ( 0.2250000 0.2250000 0.4500000), wk = 0.0024570 k( 146) = ( 0.2192308 0.2192308 0.4384615), wk = 0.0024570 k( 147) = ( 0.2134615 0.2134615 0.4269231), wk = 0.0024570 k( 148) = ( 0.2076923 0.2076923 0.4153846), wk = 0.0024570 k( 149) = ( 0.2019231 0.2019231 0.4038462), wk = 0.0024570 k( 150) = ( 0.1961538 0.1961539 0.3923077), wk = 0.0024570 k( 151) = ( 0.1903846 0.1903846 0.3807692), wk = 0.0024570 k( 152) = ( 0.1846154 0.1846154 0.3692308), wk = 0.0024570 k( 153) = ( 0.1788462 0.1788462 0.3576923), wk = 0.0024570 k( 154) = ( 0.1730769 0.1730769 0.3461538), wk = 0.0024570 k( 155) = ( 0.1673077 0.1673077 0.3346154), wk = 0.0024570 k( 156) = ( 0.1615385 0.1615385 0.3230769), wk = 0.0024570 k( 157) = ( 0.1557692 0.1557692 0.3115385), wk = 0.0024570 k( 158) = ( 0.1500000 0.1500000 0.3000000), wk = 0.0024570 k( 159) = ( 0.1442308 0.1442308 0.2884615), wk = 0.0024570 k( 160) = ( 0.1384615 0.1384615 0.2769231), wk = 0.0024570 k( 161) = ( 0.1326923 0.1326923 0.2653846), wk = 0.0024570 k( 162) = ( 0.1269231 0.1269231 0.2538461), wk = 0.0024570 k( 163) = ( 0.1211538 0.1211539 0.2423077), wk = 0.0024570 k( 164) = ( 0.1153846 0.1153846 0.2307692), wk = 0.0024570 k( 165) = ( 0.1096154 0.1096154 0.2192308), wk = 0.0024570 k( 166) = ( 0.1038461 0.1038462 0.2076923), wk = 0.0024570 k( 167) = ( 0.0980769 0.0980769 0.1961539), wk = 0.0024570 k( 168) = ( 0.0923077 0.0923077 0.1846154), wk = 0.0024570 k( 169) = ( 0.0865385 0.0865385 0.1730769), wk = 0.0024570 k( 170) = ( 0.0807692 0.0807692 0.1615385), wk = 0.0024570 k( 171) = ( 0.0750000 0.0750000 0.1500000), wk = 0.0024570 k( 172) = ( 0.0692308 0.0692308 0.1384615), wk = 0.0024570 k( 173) = ( 0.0634615 0.0634615 0.1269231), wk = 0.0024570 k( 174) = ( 0.0576923 0.0576923 0.1153846), wk = 0.0024570 k( 175) = ( 0.0519231 0.0519231 0.1038462), wk = 0.0024570 k( 176) = ( 0.0461539 0.0461539 0.0923077), wk = 0.0024570 k( 177) = ( 0.0403846 0.0403846 0.0807692), wk = 0.0024570 k( 178) = ( 0.0346154 0.0346154 0.0692308), wk = 0.0024570 k( 179) = ( 0.0288462 0.0288462 0.0576923), wk = 0.0024570 k( 180) = ( 0.0230769 0.0230769 0.0461539), wk = 0.0024570 k( 181) = ( 0.0173077 0.0173077 0.0346154), wk = 0.0024570 k( 182) = ( 0.0115385 0.0115385 0.0230769), wk = 0.0024570 k( 183) = ( 0.0057692 0.0057692 0.0115385), wk = 0.0024570 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024570 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024570 k( 186) = ( 0.0094340 0.0094340 0.0094340), wk = 0.0024570 k( 187) = ( 0.0188679 0.0188679 0.0188679), wk = 0.0024570 k( 188) = ( 0.0283019 0.0283019 0.0283019), wk = 0.0024570 k( 189) = ( 0.0377359 0.0377359 0.0377359), wk = 0.0024570 k( 190) = ( 0.0471698 0.0471698 0.0471698), wk = 0.0024570 k( 191) = ( 0.0566038 0.0566038 0.0566038), wk = 0.0024570 k( 192) = ( 0.0660377 0.0660377 0.0660377), wk = 0.0024570 k( 193) = ( 0.0754717 0.0754717 0.0754717), wk = 0.0024570 k( 194) = ( 0.0849057 0.0849057 0.0849057), wk = 0.0024570 k( 195) = ( 0.0943396 0.0943396 0.0943396), wk = 0.0024570 k( 196) = ( 0.1037736 0.1037736 0.1037736), wk = 0.0024570 k( 197) = ( 0.1132076 0.1132076 0.1132076), wk = 0.0024570 k( 198) = ( 0.1226415 0.1226415 0.1226415), wk = 0.0024570 k( 199) = ( 0.1320755 0.1320755 0.1320755), wk = 0.0024570 k( 200) = ( 0.1415094 0.1415094 0.1415094), wk = 0.0024570 k( 201) = ( 0.1509434 0.1509434 0.1509434), wk = 0.0024570 k( 202) = ( 0.1603774 0.1603774 0.1603774), wk = 0.0024570 k( 203) = ( 0.1698113 0.1698113 0.1698113), wk = 0.0024570 k( 204) = ( 0.1792453 0.1792453 0.1792453), wk = 0.0024570 k( 205) = ( 0.1886792 0.1886792 0.1886793), wk = 0.0024570 k( 206) = ( 0.1981132 0.1981132 0.1981132), wk = 0.0024570 k( 207) = ( 0.2075472 0.2075472 0.2075472), wk = 0.0024570 k( 208) = ( 0.2169811 0.2169811 0.2169811), wk = 0.0024570 k( 209) = ( 0.2264151 0.2264151 0.2264151), wk = 0.0024570 k( 210) = ( 0.2358491 0.2358491 0.2358491), wk = 0.0024570 k( 211) = ( 0.2452830 0.2452830 0.2452830), wk = 0.0024570 k( 212) = ( 0.2547170 0.2547170 0.2547170), wk = 0.0024570 k( 213) = ( 0.2641509 0.2641509 0.2641509), wk = 0.0024570 k( 214) = ( 0.2735849 0.2735849 0.2735849), wk = 0.0024570 k( 215) = ( 0.2830189 0.2830189 0.2830189), wk = 0.0024570 k( 216) = ( 0.2924528 0.2924528 0.2924528), wk = 0.0024570 k( 217) = ( 0.3018868 0.3018868 0.3018868), wk = 0.0024570 k( 218) = ( 0.3113207 0.3113208 0.3113207), wk = 0.0024570 k( 219) = ( 0.3207547 0.3207547 0.3207547), wk = 0.0024570 k( 220) = ( 0.3301887 0.3301887 0.3301887), wk = 0.0024570 k( 221) = ( 0.3396226 0.3396226 0.3396226), wk = 0.0024570 k( 222) = ( 0.3490566 0.3490566 0.3490566), wk = 0.0024570 k( 223) = ( 0.3584906 0.3584906 0.3584906), wk = 0.0024570 k( 224) = ( 0.3679245 0.3679245 0.3679245), wk = 0.0024570 k( 225) = ( 0.3773585 0.3773585 0.3773585), wk = 0.0024570 k( 226) = ( 0.3867925 0.3867925 0.3867925), wk = 0.0024570 k( 227) = ( 0.3962264 0.3962264 0.3962264), wk = 0.0024570 k( 228) = ( 0.4056604 0.4056604 0.4056604), wk = 0.0024570 k( 229) = ( 0.4150943 0.4150943 0.4150943), wk = 0.0024570 k( 230) = ( 0.4245283 0.4245283 0.4245283), wk = 0.0024570 k( 231) = ( 0.4339623 0.4339623 0.4339623), wk = 0.0024570 k( 232) = ( 0.4433962 0.4433962 0.4433962), wk = 0.0024570 k( 233) = ( 0.4528302 0.4528302 0.4528302), wk = 0.0024570 k( 234) = ( 0.4622641 0.4622641 0.4622641), wk = 0.0024570 k( 235) = ( 0.4716981 0.4716981 0.4716981), wk = 0.0024570 k( 236) = ( 0.4811321 0.4811321 0.4811321), wk = 0.0024570 k( 237) = ( 0.4905660 0.4905660 0.4905660), wk = 0.0024570 k( 238) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024570 k( 239) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024570 k( 240) = ( 0.5032895 0.4934211 0.5032895), wk = 0.0024570 k( 241) = ( 0.5065789 0.4868421 0.5065789), wk = 0.0024570 k( 242) = ( 0.5098684 0.4802632 0.5098684), wk = 0.0024570 k( 243) = ( 0.5131579 0.4736842 0.5131579), wk = 0.0024570 k( 244) = ( 0.5164474 0.4671053 0.5164474), wk = 0.0024570 k( 245) = ( 0.5197368 0.4605263 0.5197368), wk = 0.0024570 k( 246) = ( 0.5230263 0.4539474 0.5230263), wk = 0.0024570 k( 247) = ( 0.5263158 0.4473684 0.5263158), wk = 0.0024570 k( 248) = ( 0.5296053 0.4407895 0.5296053), wk = 0.0024570 k( 249) = ( 0.5328947 0.4342105 0.5328947), wk = 0.0024570 k( 250) = ( 0.5361842 0.4276316 0.5361842), wk = 0.0024570 k( 251) = ( 0.5394737 0.4210526 0.5394737), wk = 0.0024570 k( 252) = ( 0.5427632 0.4144737 0.5427632), wk = 0.0024570 k( 253) = ( 0.5460526 0.4078947 0.5460526), wk = 0.0024570 k( 254) = ( 0.5493421 0.4013158 0.5493421), wk = 0.0024570 k( 255) = ( 0.5526316 0.3947368 0.5526316), wk = 0.0024570 k( 256) = ( 0.5559211 0.3881579 0.5559211), wk = 0.0024570 k( 257) = ( 0.5592105 0.3815789 0.5592105), wk = 0.0024570 k( 258) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0024570 k( 259) = ( 0.5657895 0.3684211 0.5657895), wk = 0.0024570 k( 260) = ( 0.5690789 0.3618421 0.5690789), wk = 0.0024570 k( 261) = ( 0.5723684 0.3552632 0.5723684), wk = 0.0024570 k( 262) = ( 0.5756579 0.3486842 0.5756579), wk = 0.0024570 k( 263) = ( 0.5789474 0.3421053 0.5789474), wk = 0.0024570 k( 264) = ( 0.5822368 0.3355263 0.5822368), wk = 0.0024570 k( 265) = ( 0.5855263 0.3289474 0.5855263), wk = 0.0024570 k( 266) = ( 0.5888158 0.3223684 0.5888158), wk = 0.0024570 k( 267) = ( 0.5921053 0.3157895 0.5921053), wk = 0.0024570 k( 268) = ( 0.5953947 0.3092105 0.5953947), wk = 0.0024570 k( 269) = ( 0.5986842 0.3026316 0.5986842), wk = 0.0024570 k( 270) = ( 0.6019737 0.2960526 0.6019737), wk = 0.0024570 k( 271) = ( 0.6052632 0.2894737 0.6052632), wk = 0.0024570 k( 272) = ( 0.6085526 0.2828947 0.6085526), wk = 0.0024570 k( 273) = ( 0.6118421 0.2763158 0.6118421), wk = 0.0024570 k( 274) = ( 0.6151316 0.2697368 0.6151316), wk = 0.0024570 k( 275) = ( 0.6184211 0.2631579 0.6184211), wk = 0.0024570 k( 276) = ( 0.6217105 0.2565789 0.6217105), wk = 0.0024570 k( 277) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0024570 k( 278) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0024570 k( 279) = ( 0.6193182 0.2500000 0.6306818), wk = 0.0024570 k( 280) = ( 0.6136364 0.2500000 0.6363636), wk = 0.0024570 k( 281) = ( 0.6079545 0.2500000 0.6420455), wk = 0.0024570 k( 282) = ( 0.6022727 0.2500000 0.6477273), wk = 0.0024570 k( 283) = ( 0.5965909 0.2500000 0.6534091), wk = 0.0024570 k( 284) = ( 0.5909091 0.2500000 0.6590909), wk = 0.0024570 k( 285) = ( 0.5852273 0.2500000 0.6647727), wk = 0.0024570 k( 286) = ( 0.5795455 0.2500000 0.6704545), wk = 0.0024570 k( 287) = ( 0.5738636 0.2500000 0.6761364), wk = 0.0024570 k( 288) = ( 0.5681818 0.2500000 0.6818182), wk = 0.0024570 k( 289) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0024570 k( 290) = ( 0.5568182 0.2500000 0.6931818), wk = 0.0024570 k( 291) = ( 0.5511364 0.2500000 0.6988636), wk = 0.0024570 k( 292) = ( 0.5454545 0.2500000 0.7045455), wk = 0.0024570 k( 293) = ( 0.5397727 0.2500000 0.7102273), wk = 0.0024570 k( 294) = ( 0.5340909 0.2500000 0.7159091), wk = 0.0024570 k( 295) = ( 0.5284091 0.2500000 0.7215909), wk = 0.0024570 k( 296) = ( 0.5227273 0.2500000 0.7272727), wk = 0.0024570 k( 297) = ( 0.5170455 0.2500000 0.7329545), wk = 0.0024570 k( 298) = ( 0.5113636 0.2500000 0.7386364), wk = 0.0024570 k( 299) = ( 0.5056818 0.2500000 0.7443182), wk = 0.0024570 k( 300) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0024570 k( 301) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0024570 k( 302) = ( 0.5000000 0.2556818 0.7443182), wk = 0.0024570 k( 303) = ( 0.5000000 0.2613636 0.7386364), wk = 0.0024570 k( 304) = ( 0.5000000 0.2670455 0.7329545), wk = 0.0024570 k( 305) = ( 0.5000000 0.2727273 0.7272727), wk = 0.0024570 k( 306) = ( 0.5000000 0.2784091 0.7215909), wk = 0.0024570 k( 307) = ( 0.5000000 0.2840909 0.7159091), wk = 0.0024570 k( 308) = ( 0.5000000 0.2897727 0.7102273), wk = 0.0024570 k( 309) = ( 0.5000000 0.2954546 0.7045455), wk = 0.0024570 k( 310) = ( 0.5000000 0.3011364 0.6988636), wk = 0.0024570 k( 311) = ( 0.5000000 0.3068182 0.6931818), wk = 0.0024570 k( 312) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0024570 k( 313) = ( 0.5000000 0.3181818 0.6818182), wk = 0.0024570 k( 314) = ( 0.5000000 0.3238636 0.6761364), wk = 0.0024570 k( 315) = ( 0.5000000 0.3295455 0.6704545), wk = 0.0024570 k( 316) = ( 0.5000000 0.3352273 0.6647727), wk = 0.0024570 k( 317) = ( 0.5000000 0.3409091 0.6590909), wk = 0.0024570 k( 318) = ( 0.5000000 0.3465909 0.6534091), wk = 0.0024570 k( 319) = ( 0.5000000 0.3522727 0.6477273), wk = 0.0024570 k( 320) = ( 0.5000000 0.3579545 0.6420455), wk = 0.0024570 k( 321) = ( 0.5000000 0.3636364 0.6363636), wk = 0.0024570 k( 322) = ( 0.5000000 0.3693182 0.6306818), wk = 0.0024570 k( 323) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0024570 k( 324) = ( 0.5000000 0.3806818 0.6193182), wk = 0.0024570 k( 325) = ( 0.5000000 0.3863636 0.6136364), wk = 0.0024570 k( 326) = ( 0.5000000 0.3920455 0.6079546), wk = 0.0024570 k( 327) = ( 0.5000000 0.3977273 0.6022727), wk = 0.0024570 k( 328) = ( 0.5000000 0.4034091 0.5965909), wk = 0.0024570 k( 329) = ( 0.5000000 0.4090909 0.5909091), wk = 0.0024570 k( 330) = ( 0.5000000 0.4147727 0.5852273), wk = 0.0024570 k( 331) = ( 0.5000000 0.4204545 0.5795455), wk = 0.0024570 k( 332) = ( 0.5000000 0.4261364 0.5738636), wk = 0.0024570 k( 333) = ( 0.5000000 0.4318182 0.5681818), wk = 0.0024570 k( 334) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0024570 k( 335) = ( 0.5000000 0.4431818 0.5568182), wk = 0.0024570 k( 336) = ( 0.5000000 0.4488636 0.5511364), wk = 0.0024570 k( 337) = ( 0.5000000 0.4545455 0.5454546), wk = 0.0024570 k( 338) = ( 0.5000000 0.4602273 0.5397727), wk = 0.0024570 k( 339) = ( 0.5000000 0.4659091 0.5340909), wk = 0.0024570 k( 340) = ( 0.5000000 0.4715909 0.5284091), wk = 0.0024570 k( 341) = ( 0.5000000 0.4772727 0.5227273), wk = 0.0024570 k( 342) = ( 0.5000000 0.4829545 0.5170455), wk = 0.0024570 k( 343) = ( 0.5000000 0.4886364 0.5113636), wk = 0.0024570 k( 344) = ( 0.5000000 0.4943182 0.5056818), wk = 0.0024570 k( 345) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024570 k( 346) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024570 k( 347) = ( 0.4967105 0.4967105 0.5065789), wk = 0.0024570 k( 348) = ( 0.4934211 0.4934211 0.5131579), wk = 0.0024570 k( 349) = ( 0.4901316 0.4901316 0.5197368), wk = 0.0024570 k( 350) = ( 0.4868421 0.4868421 0.5263158), wk = 0.0024570 k( 351) = ( 0.4835526 0.4835526 0.5328947), wk = 0.0024570 k( 352) = ( 0.4802632 0.4802632 0.5394737), wk = 0.0024570 k( 353) = ( 0.4769737 0.4769737 0.5460526), wk = 0.0024570 k( 354) = ( 0.4736842 0.4736842 0.5526316), wk = 0.0024570 k( 355) = ( 0.4703947 0.4703947 0.5592105), wk = 0.0024570 k( 356) = ( 0.4671053 0.4671053 0.5657895), wk = 0.0024570 k( 357) = ( 0.4638158 0.4638158 0.5723684), wk = 0.0024570 k( 358) = ( 0.4605263 0.4605263 0.5789474), wk = 0.0024570 k( 359) = ( 0.4572368 0.4572368 0.5855263), wk = 0.0024570 k( 360) = ( 0.4539474 0.4539474 0.5921053), wk = 0.0024570 k( 361) = ( 0.4506579 0.4506579 0.5986842), wk = 0.0024570 k( 362) = ( 0.4473684 0.4473684 0.6052632), wk = 0.0024570 k( 363) = ( 0.4440789 0.4440789 0.6118421), wk = 0.0024570 k( 364) = ( 0.4407895 0.4407895 0.6184211), wk = 0.0024570 k( 365) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0024570 k( 366) = ( 0.4342105 0.4342105 0.6315789), wk = 0.0024570 k( 367) = ( 0.4309211 0.4309211 0.6381579), wk = 0.0024570 k( 368) = ( 0.4276316 0.4276316 0.6447368), wk = 0.0024570 k( 369) = ( 0.4243421 0.4243421 0.6513158), wk = 0.0024570 k( 370) = ( 0.4210526 0.4210526 0.6578947), wk = 0.0024570 k( 371) = ( 0.4177632 0.4177632 0.6644737), wk = 0.0024570 k( 372) = ( 0.4144737 0.4144737 0.6710526), wk = 0.0024570 k( 373) = ( 0.4111842 0.4111842 0.6776316), wk = 0.0024570 k( 374) = ( 0.4078947 0.4078947 0.6842105), wk = 0.0024570 k( 375) = ( 0.4046053 0.4046053 0.6907895), wk = 0.0024570 k( 376) = ( 0.4013158 0.4013158 0.6973684), wk = 0.0024570 k( 377) = ( 0.3980263 0.3980263 0.7039474), wk = 0.0024570 k( 378) = ( 0.3947368 0.3947368 0.7105263), wk = 0.0024570 k( 379) = ( 0.3914474 0.3914474 0.7171053), wk = 0.0024570 k( 380) = ( 0.3881579 0.3881579 0.7236842), wk = 0.0024570 k( 381) = ( 0.3848684 0.3848684 0.7302632), wk = 0.0024570 k( 382) = ( 0.3815789 0.3815790 0.7368421), wk = 0.0024570 k( 383) = ( 0.3782895 0.3782895 0.7434211), wk = 0.0024570 k( 384) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0024570 k( 385) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0024570 k( 386) = ( 0.6193182 0.2386364 0.6193182), wk = 0.0024570 k( 387) = ( 0.6136364 0.2272727 0.6136364), wk = 0.0024570 k( 388) = ( 0.6079545 0.2159091 0.6079545), wk = 0.0024570 k( 389) = ( 0.6022727 0.2045454 0.6022727), wk = 0.0024570 k( 390) = ( 0.5965909 0.1931818 0.5965909), wk = 0.0024570 k( 391) = ( 0.5909091 0.1818182 0.5909091), wk = 0.0024570 k( 392) = ( 0.5852273 0.1704545 0.5852273), wk = 0.0024570 k( 393) = ( 0.5795455 0.1590909 0.5795455), wk = 0.0024570 k( 394) = ( 0.5738636 0.1477273 0.5738636), wk = 0.0024570 k( 395) = ( 0.5681818 0.1363636 0.5681818), wk = 0.0024570 k( 396) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0024570 k( 397) = ( 0.5568182 0.1136364 0.5568182), wk = 0.0024570 k( 398) = ( 0.5511364 0.1022727 0.5511364), wk = 0.0024570 k( 399) = ( 0.5454545 0.0909091 0.5454545), wk = 0.0024570 k( 400) = ( 0.5397727 0.0795454 0.5397727), wk = 0.0024570 k( 401) = ( 0.5340909 0.0681818 0.5340909), wk = 0.0024570 k( 402) = ( 0.5284091 0.0568182 0.5284091), wk = 0.0024570 k( 403) = ( 0.5227273 0.0454545 0.5227273), wk = 0.0024570 k( 404) = ( 0.5170455 0.0340909 0.5170455), wk = 0.0024570 k( 405) = ( 0.5113636 0.0227273 0.5113636), wk = 0.0024570 k( 406) = ( 0.5056818 0.0113636 0.5056818), wk = 0.0024570 k( 407) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024570 Dense grid: 22419 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 9841 G-vectors FFT dimensions: ( 30, 30, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 80, 34) NL pseudopotentials 0.04 Mb ( 40, 62) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.00 Mb ( 620) G-vector shells 0.00 Mb ( 224) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.17 Mb ( 80, 136) Each subspace H/S matrix 0.02 Mb ( 34, 34) Each matrix 0.06 Mb ( 62, 2, 34) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./PbO2.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.7 secs Computing kpt #: 2 total cpu time spent up to now is 1.9 secs Computing kpt #: 3 total cpu time spent up to now is 2.0 secs Computing kpt #: 4 total cpu time spent up to now is 2.1 secs Computing kpt #: 5 total cpu time spent up to now is 2.2 secs Computing kpt #: 6 total cpu time spent up to now is 2.3 secs Computing kpt #: 7 total cpu time spent up to now is 2.4 secs Computing kpt #: 8 total cpu time spent up to now is 2.5 secs Computing kpt #: 9 total cpu time spent up to now is 2.6 secs Computing kpt #: 10 total cpu time spent up to now is 2.9 secs Computing kpt #: 11 total cpu time spent up to now is 3.0 secs Computing kpt #: 12 total cpu time spent up to now is 3.1 secs Computing kpt #: 13 total cpu time spent up to now is 3.2 secs Computing kpt #: 14 total cpu time spent up to now is 3.3 secs Computing kpt #: 15 total cpu time spent up to now is 3.4 secs Computing kpt #: 16 total cpu time spent up to now is 3.5 secs Computing kpt #: 17 total cpu time spent up to now is 3.6 secs Computing kpt #: 18 total cpu time spent up to now is 3.7 secs Computing kpt #: 19 total cpu time spent up to now is 3.8 secs Computing kpt #: 20 total cpu time spent up to now is 3.9 secs Computing kpt #: 21 total cpu time spent up to now is 4.0 secs Computing kpt #: 22 total cpu time spent up to now is 4.1 secs Computing kpt #: 23 total cpu time spent up to now is 4.2 secs Computing kpt #: 24 total cpu time spent up to now is 4.3 secs Computing kpt #: 25 total cpu time spent up to now is 4.4 secs Computing kpt #: 26 total cpu time spent up to now is 4.5 secs Computing kpt #: 27 total cpu time spent up to now is 4.6 secs Computing kpt #: 28 total cpu time spent up to now is 4.7 secs Computing kpt #: 29 total cpu time spent up to now is 4.9 secs Computing kpt #: 30 total cpu time spent up to now is 5.0 secs Computing kpt #: 31 total cpu time spent up to now is 5.1 secs Computing kpt #: 32 total cpu time spent up to now is 5.2 secs Computing kpt #: 33 total cpu time spent up to now is 5.3 secs Computing kpt #: 34 total cpu time spent up to now is 5.4 secs Computing kpt #: 35 total cpu time spent up to now is 5.5 secs Computing kpt #: 36 total cpu time spent up to now is 5.6 secs Computing kpt #: 37 total cpu time spent up to now is 5.7 secs Computing kpt #: 38 total cpu time spent up to now is 5.9 secs Computing kpt #: 39 total cpu time spent up to now is 6.0 secs Computing kpt #: 40 total cpu time spent up to now is 6.1 secs Computing kpt #: 41 total cpu time spent up to now is 6.2 secs Computing kpt #: 42 total cpu time spent up to now is 6.3 secs Computing kpt #: 43 total cpu time spent up to now is 6.5 secs Computing kpt #: 44 total cpu time spent up to now is 6.6 secs Computing kpt #: 45 total cpu time spent up to now is 6.8 secs Computing kpt #: 46 total cpu time spent up to now is 6.9 secs Computing kpt #: 47 total cpu time spent up to now is 7.0 secs Computing kpt #: 48 total cpu time spent up to now is 7.2 secs Computing kpt #: 49 total cpu time spent up to now is 7.3 secs Computing kpt #: 50 total cpu time spent up to now is 7.4 secs Computing kpt #: 51 total cpu time spent up to now is 7.5 secs Computing kpt #: 52 total cpu time spent up to now is 7.7 secs Computing kpt #: 53 total cpu time spent up to now is 7.9 secs Computing kpt #: 54 total cpu time spent up to now is 8.0 secs Computing kpt #: 55 total cpu time spent up to now is 8.1 secs Computing kpt #: 56 total cpu time spent up to now is 8.2 secs Computing kpt #: 57 total cpu time spent up to now is 8.3 secs Computing kpt #: 58 total cpu time spent up to now is 8.5 secs Computing kpt #: 59 total cpu time spent up to now is 8.6 secs Computing kpt #: 60 total cpu time spent up to now is 8.7 secs Computing kpt #: 61 total cpu time spent up to now is 8.8 secs Computing kpt #: 62 total cpu time spent up to now is 8.9 secs Computing kpt #: 63 total cpu time spent up to now is 9.0 secs Computing kpt #: 64 total cpu time spent up to now is 9.1 secs Computing kpt #: 65 total cpu time spent up to now is 9.2 secs Computing kpt #: 66 total cpu time spent up to now is 9.3 secs Computing kpt #: 67 total cpu time spent up to now is 9.4 secs Computing kpt #: 68 total cpu time spent up to now is 9.6 secs Computing kpt #: 69 total cpu time spent up to now is 9.7 secs Computing kpt #: 70 total cpu time spent up to now is 9.8 secs Computing kpt #: 71 total cpu time spent up to now is 9.9 secs Computing kpt #: 72 total cpu time spent up to now is 10.0 secs Computing kpt #: 73 total cpu time spent up to now is 10.1 secs Computing kpt #: 74 total cpu time spent up to now is 10.2 secs Computing kpt #: 75 total cpu time spent up to now is 10.4 secs Computing kpt #: 76 total cpu time spent up to now is 10.5 secs Computing kpt #: 77 total cpu time spent up to now is 10.6 secs Computing kpt #: 78 total cpu time spent up to now is 10.7 secs Computing kpt #: 79 total cpu time spent up to now is 10.9 secs Computing kpt #: 80 total cpu time spent up to now is 11.0 secs Computing kpt #: 81 total cpu time spent up to now is 11.1 secs Computing kpt #: 82 total cpu time spent up to now is 11.2 secs Computing kpt #: 83 total cpu time spent up to now is 11.4 secs Computing kpt #: 84 total cpu time spent up to now is 11.5 secs Computing kpt #: 85 total cpu time spent up to now is 11.6 secs Computing kpt #: 86 total cpu time spent up to now is 11.7 secs Computing kpt #: 87 total cpu time spent up to now is 11.8 secs Computing kpt #: 88 total cpu time spent up to now is 12.0 secs Computing kpt #: 89 total cpu time spent up to now is 12.1 secs Computing kpt #: 90 total cpu time spent up to now is 12.2 secs Computing kpt #: 91 total cpu time spent up to now is 12.3 secs Computing kpt #: 92 total cpu time spent up to now is 12.5 secs Computing kpt #: 93 total cpu time spent up to now is 12.6 secs Computing kpt #: 94 total cpu time spent up to now is 12.7 secs Computing kpt #: 95 total cpu time spent up to now is 12.8 secs Computing kpt #: 96 total cpu time spent up to now is 12.9 secs Computing kpt #: 97 total cpu time spent up to now is 13.1 secs Computing kpt #: 98 total cpu time spent up to now is 13.2 secs Computing kpt #: 99 total cpu time spent up to now is 13.3 secs Computing kpt #: 100 total cpu time spent up to now is 13.4 secs Computing kpt #: 101 total cpu time spent up to now is 13.5 secs Computing kpt #: 102 total cpu time spent up to now is 13.7 secs Computing kpt #: 103 total cpu time spent up to now is 13.8 secs Computing kpt #: 104 total cpu time spent up to now is 13.9 secs Computing kpt #: 105 total cpu time spent up to now is 14.0 secs Computing kpt #: 106 total cpu time spent up to now is 14.2 secs Computing kpt #: 107 total cpu time spent up to now is 14.3 secs Computing kpt #: 108 total cpu time spent up to now is 14.4 secs Computing kpt #: 109 total cpu time spent up to now is 14.5 secs Computing kpt #: 110 total cpu time spent up to now is 14.7 secs Computing kpt #: 111 total cpu time spent up to now is 14.8 secs Computing kpt #: 112 total cpu time spent up to now is 14.9 secs Computing kpt #: 113 total cpu time spent up to now is 15.1 secs Computing kpt #: 114 total cpu time spent up to now is 15.2 secs Computing kpt #: 115 total cpu time spent up to now is 15.3 secs Computing kpt #: 116 total cpu time spent up to now is 15.4 secs Computing kpt #: 117 total cpu time spent up to now is 15.6 secs Computing kpt #: 118 total cpu time spent up to now is 15.7 secs Computing kpt #: 119 total cpu time spent up to now is 15.8 secs Computing kpt #: 120 total cpu time spent up to now is 15.9 secs Computing kpt #: 121 total cpu time spent up to now is 16.1 secs Computing kpt #: 122 total cpu time spent up to now is 16.2 secs Computing kpt #: 123 total cpu time spent up to now is 16.3 secs Computing kpt #: 124 total cpu time spent up to now is 16.4 secs Computing kpt #: 125 total cpu time spent up to now is 16.6 secs Computing kpt #: 126 total cpu time spent up to now is 16.7 secs Computing kpt #: 127 total cpu time spent up to now is 16.8 secs Computing kpt #: 128 total cpu time spent up to now is 17.0 secs Computing kpt #: 129 total cpu time spent up to now is 17.1 secs Computing kpt #: 130 total cpu time spent up to now is 17.2 secs Computing kpt #: 131 total cpu time spent up to now is 17.4 secs Computing kpt #: 132 total cpu time spent up to now is 17.5 secs Computing kpt #: 133 total cpu time spent up to now is 17.6 secs Computing kpt #: 134 total cpu time spent up to now is 17.8 secs Computing kpt #: 135 total cpu time spent up to now is 17.9 secs Computing kpt #: 136 total cpu time spent up to now is 18.0 secs Computing kpt #: 137 total cpu time spent up to now is 18.1 secs Computing kpt #: 138 total cpu time spent up to now is 18.3 secs Computing kpt #: 139 total cpu time spent up to now is 18.4 secs Computing kpt #: 140 total cpu time spent up to now is 18.5 secs Computing kpt #: 141 total cpu time spent up to now is 18.6 secs Computing kpt #: 142 total cpu time spent up to now is 18.7 secs Computing kpt #: 143 total cpu time spent up to now is 18.9 secs Computing kpt #: 144 total cpu time spent up to now is 19.0 secs Computing kpt #: 145 total cpu time spent up to now is 19.1 secs Computing kpt #: 146 total cpu time spent up to now is 19.2 secs Computing kpt #: 147 total cpu time spent up to now is 19.3 secs Computing kpt #: 148 total cpu time spent up to now is 19.4 secs Computing kpt #: 149 total cpu time spent up to now is 19.6 secs Computing kpt #: 150 total cpu time spent up to now is 19.7 secs Computing kpt #: 151 total cpu time spent up to now is 19.8 secs Computing kpt #: 152 total cpu time spent up to now is 19.9 secs Computing kpt #: 153 total cpu time spent up 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Computing kpt #: 169 total cpu time spent up to now is 21.9 secs Computing kpt #: 170 total cpu time spent up to now is 22.0 secs Computing kpt #: 171 total cpu time spent up to now is 22.1 secs Computing kpt #: 172 total cpu time spent up to now is 22.2 secs Computing kpt #: 173 total cpu time spent up to now is 22.3 secs Computing kpt #: 174 total cpu time spent up to now is 22.4 secs Computing kpt #: 175 total cpu time spent up to now is 22.5 secs Computing kpt #: 176 total cpu time spent up to now is 22.6 secs Computing kpt #: 177 total cpu time spent up to now is 22.7 secs Computing kpt #: 178 total cpu time spent up to now is 22.8 secs Computing kpt #: 179 total cpu time spent up to now is 22.9 secs Computing kpt #: 180 total cpu time spent up to now is 23.0 secs Computing kpt #: 181 total cpu time spent up to now is 23.1 secs Computing kpt #: 182 total cpu time spent up to now is 23.2 secs Computing kpt #: 183 total cpu time spent up to now is 23.3 secs Computing kpt #: 184 total cpu time spent up to now is 23.4 secs Computing kpt #: 185 total cpu time spent up to now is 23.5 secs Computing kpt #: 186 total cpu time spent up to now is 23.6 secs Computing kpt #: 187 total cpu time spent up to now is 23.7 secs Computing kpt #: 188 total cpu time spent up to now is 23.8 secs Computing kpt #: 189 total cpu time spent up to now is 23.9 secs Computing kpt #: 190 total cpu time spent up to now is 24.0 secs Computing kpt #: 191 total cpu time spent up to now is 24.1 secs Computing kpt #: 192 total cpu time spent up to now is 24.2 secs Computing kpt #: 193 total cpu time spent up to now is 24.4 secs Computing kpt #: 194 total cpu time spent up to now is 24.5 secs Computing kpt #: 195 total cpu time spent up to now is 24.6 secs Computing kpt #: 196 total cpu time spent up to now is 24.7 secs Computing kpt #: 197 total cpu time spent up to now is 24.8 secs Computing kpt #: 198 total cpu time spent up to now is 24.9 secs Computing kpt #: 199 total cpu time spent up to now is 25.0 secs Computing kpt #: 200 total cpu time spent up to now is 25.1 secs Computing kpt #: 201 total cpu time spent up to now is 25.2 secs Computing kpt #: 202 total cpu time spent up to now is 25.3 secs Computing kpt #: 203 total cpu time spent up to now is 25.4 secs Computing kpt #: 204 total cpu time spent up to now is 25.5 secs Computing kpt #: 205 total cpu time spent up to now is 25.7 secs Computing kpt #: 206 total cpu time spent up to now is 25.8 secs Computing kpt #: 207 total cpu time spent up to now is 25.9 secs Computing kpt #: 208 total cpu time spent up to now is 26.0 secs Computing kpt #: 209 total cpu time spent up to now is 26.1 secs Computing kpt #: 210 total cpu time spent up to now is 26.2 secs Computing kpt #: 211 total cpu time spent up to now is 26.4 secs Computing kpt #: 212 total cpu time spent up to now is 26.5 secs Computing kpt #: 213 total cpu time spent up to now is 26.6 secs Computing kpt #: 214 total cpu time spent up to now is 26.7 secs Computing kpt #: 215 total cpu time spent up to now is 26.8 secs Computing kpt #: 216 total cpu time spent up to now is 26.9 secs Computing kpt #: 217 total cpu time spent up to now is 27.1 secs Computing kpt #: 218 total cpu time spent up to now is 27.2 secs Computing kpt #: 219 total cpu time spent up to now is 27.3 secs Computing kpt #: 220 total cpu time spent up to now is 27.4 secs Computing kpt #: 221 total cpu time spent up to now is 27.5 secs Computing kpt #: 222 total cpu time spent up to now is 27.6 secs Computing kpt #: 223 total cpu time spent up to now is 27.8 secs Computing kpt #: 224 total cpu time spent up to now is 27.9 secs Computing kpt #: 225 total cpu time spent up to now is 28.0 secs Computing kpt #: 226 total cpu time spent up to now is 28.1 secs Computing kpt #: 227 total cpu time spent up to now is 28.2 secs Computing kpt #: 228 total cpu time spent up to now is 28.4 secs Computing kpt #: 229 total cpu time spent up to now is 28.5 secs Computing kpt #: 230 total cpu time spent up to now is 28.6 secs Computing kpt #: 231 total cpu time spent up to now is 28.7 secs Computing kpt #: 232 total cpu time spent up to now is 28.8 secs Computing kpt #: 233 total cpu time spent up to now is 28.9 secs Computing kpt #: 234 total cpu time spent up to now is 29.1 secs Computing kpt #: 235 total cpu time spent up to now is 29.2 secs Computing kpt #: 236 total cpu time spent up to now is 29.3 secs Computing kpt #: 237 total cpu time spent up to now is 29.4 secs Computing kpt #: 238 total cpu time spent up to now is 29.5 secs Computing kpt #: 239 total cpu time spent up to now is 29.6 secs Computing kpt #: 240 total cpu time spent up to now is 29.7 secs Computing kpt #: 241 total cpu time spent up to now is 29.8 secs Computing kpt #: 242 total cpu time spent up to now is 30.0 secs Computing kpt #: 243 total cpu time spent up to now is 30.1 secs Computing kpt #: 244 total cpu time spent up to now is 30.2 secs Computing kpt #: 245 total cpu time spent up to now is 30.3 secs Computing kpt #: 246 total cpu time spent up to now is 30.4 secs Computing kpt #: 247 total cpu time spent up to now is 30.5 secs Computing kpt #: 248 total cpu time spent up to now is 30.7 secs Computing kpt #: 249 total cpu time spent up to now is 30.8 secs Computing kpt #: 250 total cpu time spent up to now is 30.9 secs Computing kpt #: 251 total cpu time spent up to now is 31.0 secs Computing kpt #: 252 total cpu time spent up to now is 31.1 secs Computing kpt #: 253 total cpu time spent up to now is 31.3 secs Computing kpt #: 254 total cpu time spent up to now is 31.4 secs Computing kpt #: 255 total cpu time spent up to now is 31.5 secs Computing kpt #: 256 total cpu time spent up to now is 31.6 secs Computing kpt #: 257 total cpu time spent up to now is 31.8 secs Computing kpt #: 258 total cpu time spent up to now is 31.9 secs Computing kpt #: 259 total cpu time spent up to now is 32.0 secs Computing kpt #: 260 total cpu time spent up to now is 32.1 secs Computing kpt #: 261 total cpu time spent up to now is 32.3 secs Computing kpt #: 262 total cpu time spent up to now is 32.4 secs Computing kpt #: 263 total cpu time spent up to now is 32.5 secs Computing kpt #: 264 total cpu time spent up to now is 32.7 secs Computing kpt #: 265 total cpu time spent up to now is 32.8 secs Computing kpt #: 266 total cpu time spent up to now is 32.9 secs Computing kpt #: 267 total cpu time spent up to now is 33.1 secs Computing kpt #: 268 total cpu time spent up to now is 33.2 secs Computing kpt #: 269 total cpu time spent up to now is 33.3 secs Computing kpt #: 270 total cpu time spent up to now is 33.5 secs Computing kpt #: 271 total cpu time spent up to now is 33.6 secs Computing kpt #: 272 total cpu time spent up to now is 33.7 secs Computing kpt #: 273 total cpu time spent up to now is 33.8 secs Computing kpt #: 274 total cpu time spent up to now is 34.0 secs Computing kpt #: 275 total cpu time spent up to now is 34.1 secs Computing kpt #: 276 total cpu time spent up to now is 34.2 secs Computing kpt #: 277 total cpu time spent up to now is 34.3 secs Computing kpt #: 278 total cpu time spent up to now is 34.5 secs Computing kpt #: 279 total cpu time spent up to now is 34.6 secs Computing kpt #: 280 total cpu time spent up to now is 34.7 secs Computing kpt #: 281 total cpu time spent up to now is 34.9 secs Computing kpt #: 282 total cpu time spent up to now is 35.0 secs Computing kpt #: 283 total cpu time spent up to now is 35.1 secs Computing kpt #: 284 total cpu time spent up to now is 35.2 secs Computing kpt #: 285 total cpu time spent up to now is 35.4 secs Computing kpt #: 286 total cpu time spent up to now is 35.5 secs Computing kpt #: 287 total cpu time spent up to now is 35.6 secs Computing kpt #: 288 total cpu time spent up to now is 35.7 secs Computing kpt #: 289 total cpu time spent up to now is 35.9 secs Computing kpt #: 290 total cpu time spent up to now is 36.0 secs Computing kpt #: 291 total cpu time spent up to now is 36.1 secs Computing kpt #: 292 total cpu time spent up to now is 36.2 secs Computing kpt #: 293 total cpu time spent up to now is 36.4 secs Computing kpt #: 294 total cpu time spent up to now is 36.5 secs Computing kpt #: 295 total cpu time spent up to now is 36.6 secs Computing kpt #: 296 total cpu time spent up to now is 36.7 secs Computing kpt #: 297 total cpu time spent up to now is 36.8 secs Computing kpt #: 298 total cpu time spent up to now is 37.0 secs Computing kpt #: 299 total cpu time spent up to now is 37.1 secs Computing kpt #: 300 total cpu time spent up to now is 37.2 secs Computing kpt #: 301 total cpu time spent up to now is 37.3 secs Computing kpt #: 302 total cpu time spent up to now is 37.4 secs Computing kpt #: 303 total cpu time spent up to now is 37.6 secs Computing kpt #: 304 total cpu time spent up to now is 37.7 secs Computing kpt #: 305 total cpu time spent up to now is 37.9 secs Computing kpt #: 306 total cpu time spent up to now is 38.0 secs Computing kpt #: 307 total cpu time spent up to now is 38.1 secs Computing kpt #: 308 total cpu time spent up to now is 38.2 secs Computing kpt #: 309 total cpu time spent up to now is 38.4 secs Computing kpt #: 310 total cpu time spent up to now is 38.5 secs Computing kpt #: 311 total cpu time spent up to now is 38.6 secs Computing kpt #: 312 total cpu time spent up to now is 38.7 secs Computing kpt #: 313 total cpu time spent up to now is 38.9 secs Computing kpt #: 314 total cpu time spent up to now is 39.0 secs Computing kpt #: 315 total cpu time spent up to now is 39.1 secs Computing kpt #: 316 total cpu time spent up to now is 39.3 secs Computing kpt #: 317 total cpu time spent up to now is 39.4 secs Computing kpt #: 318 total cpu time spent up to now is 39.5 secs Computing kpt #: 319 total cpu time spent up to now is 39.7 secs Computing kpt #: 320 total cpu time spent up to now is 39.8 secs Computing kpt #: 321 total cpu time spent up to now is 39.9 secs Computing kpt #: 322 total cpu time spent up to now is 40.1 secs Computing kpt #: 323 total cpu time spent up to now is 40.2 secs Computing kpt #: 324 total cpu time spent up to now is 40.3 secs Computing kpt #: 325 total cpu time spent up to now is 40.4 secs Computing kpt #: 326 total cpu time spent up to now is 40.6 secs Computing kpt #: 327 total cpu time spent up to now is 40.7 secs Computing kpt #: 328 total cpu time spent up to now is 40.8 secs Computing kpt #: 329 total cpu time spent up to now is 40.9 secs Computing kpt #: 330 total cpu time spent up to now is 41.1 secs Computing kpt #: 331 total cpu time spent up to now is 41.2 secs Computing kpt #: 332 total cpu time spent up to now is 41.3 secs Computing kpt #: 333 total cpu time spent up to now is 41.4 secs Computing kpt #: 334 total cpu time spent up to now is 41.5 secs Computing kpt #: 335 total cpu time spent up to now is 41.7 secs Computing kpt #: 336 total cpu time spent up to now is 41.8 secs Computing kpt #: 337 total cpu time spent up to now is 41.9 secs Computing kpt #: 338 total cpu time spent up to now is 42.0 secs Computing kpt #: 339 total cpu time spent up to now is 42.1 secs Computing kpt #: 340 total cpu time spent up to now is 42.2 secs Computing kpt #: 341 total cpu time spent up to now is 42.4 secs Computing kpt #: 342 total cpu time spent up to now is 42.5 secs Computing kpt #: 343 total cpu time spent up to now is 42.6 secs Computing kpt #: 344 total cpu time spent up to now is 42.7 secs Computing kpt #: 345 total cpu time spent up to now is 42.9 secs Computing kpt #: 346 total cpu time spent up to now is 43.0 secs Computing kpt #: 347 total cpu time spent up to now is 43.1 secs Computing kpt #: 348 total cpu time spent up to now is 43.2 secs Computing kpt #: 349 total cpu time spent up to now is 43.4 secs Computing kpt #: 350 total cpu time spent up to now is 43.5 secs Computing kpt #: 351 total cpu time spent up to now is 43.6 secs Computing kpt #: 352 total cpu time spent up to now is 43.7 secs Computing kpt #: 353 total cpu time spent up to now is 43.8 secs Computing kpt #: 354 total cpu time spent up to now is 43.9 secs Computing kpt #: 355 total cpu time spent up to now is 44.1 secs Computing kpt #: 356 total cpu time spent up to now is 44.2 secs Computing kpt #: 357 total cpu time spent up to now is 44.3 secs Computing kpt #: 358 total cpu time spent up to now is 44.4 secs Computing kpt #: 359 total cpu time spent up to now is 44.5 secs Computing kpt #: 360 total cpu time spent up to now is 44.7 secs Computing kpt #: 361 total cpu time spent up to now is 44.8 secs Computing kpt #: 362 total cpu time spent up to now is 44.9 secs Computing kpt #: 363 total cpu time spent up to now is 45.0 secs Computing kpt #: 364 total cpu time spent up to now is 45.2 secs Computing kpt #: 365 total cpu time spent up to now is 45.3 secs Computing kpt #: 366 total cpu time spent up to now is 45.4 secs Computing kpt #: 367 total cpu time spent up to now is 45.5 secs Computing kpt #: 368 total cpu time spent up to now is 45.7 secs Computing kpt #: 369 total cpu time spent up to now is 45.8 secs Computing kpt #: 370 total cpu time spent up to now is 45.9 secs Computing kpt #: 371 total cpu time spent up to now is 46.1 secs Computing kpt #: 372 total cpu time spent up to now is 46.2 secs Computing kpt #: 373 total cpu time spent up to now is 46.3 secs Computing kpt #: 374 total cpu time spent up to now is 46.5 secs Computing kpt #: 375 total cpu time spent up to now is 46.6 secs Computing kpt #: 376 total cpu time spent up to now is 46.7 secs Computing kpt #: 377 total cpu time spent up to now is 46.8 secs Computing kpt #: 378 total cpu time spent up to now is 47.0 secs Computing kpt #: 379 total cpu time spent up to now is 47.1 secs Computing kpt #: 380 total cpu time spent up to now is 47.2 secs Computing kpt #: 381 total cpu time spent up to now is 47.4 secs Computing kpt #: 382 total cpu time spent up to now is 47.5 secs Computing kpt #: 383 total cpu time spent up to now is 47.6 secs Computing kpt #: 384 total cpu time spent up to now is 47.7 secs Computing kpt #: 385 total cpu time spent up to now is 47.9 secs Computing kpt #: 386 total cpu time spent up to now is 48.0 secs Computing kpt #: 387 total cpu time spent up to now is 48.1 secs Computing kpt #: 388 total cpu time spent up to now is 48.2 secs Computing kpt #: 389 total cpu time spent up to now is 48.4 secs Computing kpt #: 390 total cpu time spent up to now is 48.5 secs Computing kpt #: 391 total cpu time spent up to now is 48.6 secs Computing kpt #: 392 total cpu time spent up to now is 48.7 secs Computing kpt #: 393 total cpu time spent up to now is 48.9 secs Computing kpt #: 394 total cpu time spent up to now is 49.0 secs Computing kpt #: 395 total cpu time spent up to now is 49.1 secs Computing kpt #: 396 total cpu time spent up to now is 49.3 secs Computing kpt #: 397 total cpu time spent up to now is 49.4 secs Computing kpt #: 398 total cpu time spent up to now is 49.5 secs Computing kpt #: 399 total cpu time spent up to now is 49.6 secs Computing kpt #: 400 total cpu time spent up to now is 49.7 secs Computing kpt #: 401 total cpu time spent up to now is 49.9 secs Computing kpt #: 402 total cpu time spent up to now is 50.0 secs Computing kpt #: 403 total cpu time spent up to now is 50.1 secs Computing kpt #: 404 total cpu time spent up to now is 50.2 secs Computing kpt #: 405 total cpu time spent up to now is 50.3 secs Computing kpt #: 406 total cpu time spent up to now is 50.4 secs Computing kpt #: 407 total cpu time spent up to now is 50.5 secs ethr = 3.85E-08, avg # of iterations = 14.0 total cpu time spent up to now is 50.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1243 PWs) bands (ev): -7.2331 -7.2331 -4.5832 -4.5832 -4.5832 -4.5832 -3.3886 -3.3886 -2.3474 -2.3474 -2.0074 -2.0074 -2.0074 -2.0074 10.3652 10.3652 10.3652 10.3652 10.5678 10.5678 10.8087 10.8087 11.1592 11.1592 11.1806 11.1806 11.1806 11.1806 18.2673 18.2673 20.7673 20.7673 20.7673 20.7673 k = 0.0081-0.0047 0.0066 ( 1243 PWs) bands (ev): -7.2322 -7.2322 -4.5847 -4.5847 -4.5831 -4.5831 -3.3897 -3.3897 -2.3453 -2.3453 -2.0074 -2.0074 -2.0063 -2.0063 10.3579 10.3579 10.3646 10.3646 10.5649 10.5649 10.7920 10.7920 11.0655 11.0655 11.1833 11.1833 11.2948 11.2948 18.2689 18.2689 20.7641 20.7641 20.7707 20.7707 k = 0.0161-0.0093 0.0132 ( 1243 PWs) bands (ev): -7.2295 -7.2295 -4.5891 -4.5891 -4.5827 -4.5827 -3.3931 -3.3931 -2.3392 -2.3392 -2.0074 -2.0074 -2.0031 -2.0031 10.3362 10.3362 10.3624 10.3624 10.5569 10.5569 10.7309 10.7309 11.0061 11.0061 11.1912 11.1912 11.4262 11.4262 18.2735 18.2735 20.7544 20.7544 20.7808 20.7808 k = 0.0242-0.0140 0.0198 ( 1243 PWs) bands (ev): -7.2249 -7.2249 -4.5964 -4.5964 -4.5822 -4.5822 -3.3984 -3.3984 -2.3294 -2.3294 -2.0073 -2.0073 -1.9976 -1.9976 10.3013 10.3013 10.3577 10.3577 10.5453 10.5453 10.6272 10.6272 10.9932 10.9932 11.2037 11.2037 11.5601 11.5601 18.2811 18.2811 20.7389 20.7389 20.7976 20.7976 k = 0.0323-0.0186 0.0263 ( 1243 PWs) bands (ev): -7.2185 -7.2185 -4.6067 -4.6067 -4.5814 -4.5814 -3.4056 -3.4056 -2.3163 -2.3163 -2.0073 -2.0073 -1.9896 -1.9896 10.2532 10.2532 10.3488 10.3488 10.5045 10.5045 10.5325 10.5325 11.0050 11.0050 11.2202 11.2202 11.6945 11.6945 18.2913 18.2913 20.7183 20.7183 20.8209 20.8209 k = 0.0403-0.0233 0.0329 ( 1243 PWs) bands (ev): -7.2102 -7.2102 -4.6198 -4.6198 -4.5804 -4.5804 -3.4142 -3.4142 -2.3007 -2.3007 -2.0073 -2.0073 -1.9789 -1.9789 10.1890 10.1890 10.3335 10.3335 10.3805 10.3805 10.5216 10.5216 11.0278 11.0278 11.2399 11.2399 11.8282 11.8282 18.3037 18.3037 20.6938 20.6938 20.8509 20.8509 k = 0.0484-0.0279 0.0395 ( 1243 PWs) bands (ev): -7.2002 -7.2002 -4.6356 -4.6356 -4.5791 -4.5791 -3.4238 -3.4238 -2.2832 -2.2832 -2.0072 -2.0072 -1.9651 -1.9651 10.1010 10.1010 10.2694 10.2694 10.3099 10.3099 10.5151 10.5151 11.0562 11.0562 11.2619 11.2619 11.9608 11.9608 18.3179 18.3179 20.6667 20.6667 20.8872 20.8872 k = 0.0565-0.0326 0.0461 ( 1243 PWs) bands (ev): -7.1883 -7.1883 -4.6542 -4.6542 -4.5777 -4.5777 -3.4342 -3.4342 -2.2647 -2.2647 -2.0071 -2.0071 -1.9480 -1.9480 9.9847 9.9847 10.1785 10.1785 10.2778 10.2778 10.5143 10.5143 11.0873 11.0873 11.2858 11.2858 12.0920 12.0920 18.3332 18.3332 20.6385 20.6385 20.9298 20.9298 k = 0.0645-0.0372 0.0527 ( 1243 PWs) bands (ev): -7.1747 -7.1747 -4.6753 -4.6753 -4.5760 -4.5760 -3.4450 -3.4450 -2.2459 -2.2459 -2.0070 -2.0070 -1.9272 -1.9272 9.8492 9.8492 10.1008 10.1008 10.2378 10.2378 10.5189 10.5189 11.1201 11.1201 11.3111 11.3111 12.2215 12.2215 18.3490 18.3490 20.6105 20.6105 20.9785 20.9785 k = 0.0726-0.0419 0.0593 ( 1243 PWs) bands (ev): -7.1593 -7.1593 -4.6990 -4.6990 -4.5742 -4.5742 -3.4558 -3.4558 -2.2275 -2.2275 -2.0069 -2.0069 -1.9026 -1.9026 9.7042 9.7042 10.0276 10.0276 10.1915 10.1915 10.5279 10.5279 11.1536 11.1536 11.3373 11.3373 12.3492 12.3492 18.3645 18.3645 20.5845 20.5845 21.0331 21.0331 k = 0.0806-0.0466 0.0658 ( 1251 PWs) bands (ev): -7.1421 -7.1421 -4.7249 -4.7249 -4.5721 -4.5721 -3.4664 -3.4664 -2.2099 -2.2099 -2.0068 -2.0068 -1.8740 -1.8740 9.5542 9.5542 9.9550 9.9550 10.1399 10.1399 10.5405 10.5405 11.1874 11.1874 11.3641 11.3641 12.4749 12.4749 18.3788 18.3788 20.5620 20.5620 21.0935 21.0935 k = 0.0887-0.0512 0.0724 ( 1251 PWs) bands (ev): -7.1232 -7.1232 -4.7531 -4.7531 -4.5699 -4.5699 -3.4766 -3.4766 -2.1935 -2.1935 -2.0067 -2.0067 -1.8417 -1.8417 9.4015 9.4015 9.8816 9.8816 10.0842 10.0842 10.5563 10.5563 11.2213 11.2213 11.3915 11.3915 12.5985 12.5985 18.3911 18.3911 20.5444 20.5444 21.1594 21.1594 k = 0.0968-0.0559 0.0790 ( 1255 PWs) bands (ev): -7.1026 -7.1026 -4.7832 -4.7832 -4.5674 -4.5674 -3.4862 -3.4862 -2.1783 -2.1783 -2.0066 -2.0066 -1.8057 -1.8057 9.2469 9.2469 9.8070 9.8070 10.0249 10.0249 10.5746 10.5746 11.2550 11.2550 11.4192 11.4192 12.7200 12.7200 18.4007 18.4007 20.5332 20.5332 21.2306 21.2306 k = 0.1048-0.0605 0.0856 ( 1255 PWs) bands (ev): -7.0802 -7.0802 -4.8153 -4.8153 -4.5648 -4.5648 -3.4951 -3.4951 -2.1642 -2.1642 -2.0064 -2.0064 -1.7666 -1.7666 9.0911 9.0911 9.7310 9.7310 9.9627 9.9627 10.5953 10.5953 11.2886 11.2886 11.4471 11.4471 12.8394 12.8394 18.4068 18.4068 20.5295 20.5295 21.3069 21.3069 k = 0.1129-0.0652 0.0922 ( 1251 PWs) bands (ev): -7.0562 -7.0562 -4.8489 -4.8489 -4.5620 -4.5620 -3.5033 -3.5033 -2.1512 -2.1512 -2.0062 -2.0062 -1.7247 -1.7247 8.9344 8.9344 9.6537 9.6537 9.8980 9.8980 10.6181 10.6181 11.3220 11.3220 11.4752 11.4752 12.9564 12.9564 18.4089 18.4089 20.5342 20.5342 21.3880 21.3880 k = 0.1210-0.0698 0.0988 ( 1259 PWs) bands (ev): -7.0306 -7.0306 -4.8841 -4.8841 -4.5591 -4.5591 -3.5106 -3.5106 -2.1391 -2.1391 -2.0061 -2.0061 -1.6804 -1.6804 8.7770 8.7770 9.5751 9.5751 9.8310 9.8310 10.6429 10.6429 11.3550 11.3550 11.5034 11.5034 13.0710 13.0710 18.4067 18.4067 20.5481 20.5481 21.4737 21.4737 k = 0.1290-0.0745 0.1054 ( 1259 PWs) bands (ev): -7.0034 -7.0034 -4.9206 -4.9206 -4.5560 -4.5560 -3.5171 -3.5171 -2.1277 -2.1277 -2.0058 -2.0058 -1.6342 -1.6342 8.6193 8.6193 9.4955 9.4955 9.7622 9.7622 10.6695 10.6695 11.3879 11.3879 11.5317 11.5317 13.1832 13.1832 18.4001 18.4001 20.5715 20.5715 21.5637 21.5637 k = 0.1371-0.0792 0.1119 ( 1259 PWs) bands (ev): -6.9746 -6.9746 -4.9582 -4.9582 -4.5527 -4.5527 -3.5227 -3.5227 -2.1168 -2.1168 -2.0056 -2.0056 -1.5865 -1.5865 8.4613 8.4613 9.4149 9.4149 9.6917 9.6917 10.6979 10.6979 11.4204 11.4204 11.5601 11.5601 13.2929 13.2929 18.3892 18.3892 20.6045 20.6045 21.6577 21.6577 k = 0.1452-0.0838 0.1185 ( 1267 PWs) bands (ev): -6.9442 -6.9442 -4.9968 -4.9968 -4.5494 -4.5494 -3.5275 -3.5275 -2.1063 -2.1063 -2.0053 -2.0053 -1.5376 -1.5376 8.3032 8.3032 9.3336 9.3336 9.6198 9.6198 10.7280 10.7280 11.4527 11.4527 11.5885 11.5885 13.4000 13.4000 18.3744 18.3744 20.6470 20.6470 21.7555 21.7555 k = 0.1532-0.0885 0.1251 ( 1259 PWs) bands (ev): -6.9124 -6.9124 -5.0361 -5.0361 -4.5459 -4.5459 -3.5315 -3.5315 -2.0961 -2.0961 -2.0050 -2.0050 -1.4877 -1.4877 8.1453 8.1453 9.2516 9.2516 9.5467 9.5467 10.7597 10.7597 11.4848 11.4848 11.6169 11.6169 13.5044 13.5044 18.3562 18.3562 20.6984 20.6984 21.8569 21.8569 k = 0.1613-0.0931 0.1317 ( 1267 PWs) bands (ev): -6.8791 -6.8791 -5.0760 -5.0760 -4.5422 -4.5422 -3.5348 -3.5348 -2.0862 -2.0862 -2.0047 -2.0047 -1.4372 -1.4372 7.9876 7.9876 9.1691 9.1691 9.4727 9.4727 10.7928 10.7928 11.5167 11.5167 11.6454 11.6454 13.6061 13.6061 18.3352 18.3352 20.7583 20.7583 21.9615 21.9615 k = 0.1694-0.0978 0.1383 ( 1267 PWs) bands (ev): -6.8444 -6.8444 -5.1164 -5.1164 -4.5385 -4.5385 -3.5373 -3.5373 -2.0763 -2.0763 -2.0044 -2.0044 -1.3862 -1.3862 7.8303 7.8303 9.0863 9.0863 9.3978 9.3978 10.8274 10.8274 11.5483 11.5483 11.6739 11.6739 13.7049 13.7049 18.3123 18.3123 20.8259 20.8259 22.0690 22.0690 k = 0.1774-0.1024 0.1449 ( 1263 PWs) bands (ev): -6.8083 -6.8083 -5.1571 -5.1571 -4.5347 -4.5347 -3.5391 -3.5391 -2.0666 -2.0666 -2.0040 -2.0040 -1.3350 -1.3350 7.6736 7.6736 9.0034 9.0034 9.3224 9.3224 10.8634 10.8634 11.5798 11.5798 11.7025 11.7025 13.8008 13.8008 18.2882 18.2882 20.9005 20.9005 22.1792 22.1792 k = 0.1855-0.1071 0.1514 ( 1255 PWs) bands (ev): -6.7709 -6.7709 -5.1980 -5.1980 -4.5308 -4.5308 -3.5403 -3.5403 -2.0568 -2.0568 -2.0036 -2.0036 -1.2837 -1.2837 7.5176 7.5176 8.9205 8.9205 9.2465 9.2465 10.9007 10.9007 11.6111 11.6111 11.7310 11.7310 13.8936 13.8936 18.2636 18.2636 20.9813 20.9813 22.2919 22.2919 k = 0.1935-0.1117 0.1580 ( 1255 PWs) bands (ev): -6.7323 -6.7323 -5.2389 -5.2389 -4.5269 -4.5269 -3.5409 -3.5409 -2.0471 -2.0471 -2.0032 -2.0032 -1.2325 -1.2325 7.3624 7.3624 8.8377 8.8377 9.1703 9.1703 10.9391 10.9391 11.6423 11.6423 11.7596 11.7596 13.9832 13.9832 18.2395 18.2395 21.0677 21.0677 22.4067 22.4067 k = 0.2016-0.1164 0.1646 ( 1263 PWs) bands (ev): -6.6925 -6.6925 -5.2798 -5.2798 -4.5229 -4.5229 -3.5410 -3.5410 -2.0374 -2.0374 -2.0028 -2.0028 -1.1816 -1.1816 7.2082 7.2082 8.7553 8.7553 9.0941 9.0941 10.9788 10.9788 11.6732 11.6732 11.7881 11.7881 14.0695 14.0695 18.2164 18.2164 21.1587 21.1587 22.5233 22.5233 k = 0.2097-0.1211 0.1712 ( 1259 PWs) bands (ev): -6.6515 -6.6515 -5.3204 -5.3204 -4.5188 -4.5188 -3.5405 -3.5405 -2.0276 -2.0276 -2.0024 -2.0024 -1.1310 -1.1310 7.0551 7.0551 8.6733 8.6733 9.0179 9.0179 11.0195 11.0195 11.7040 11.7040 11.8165 11.8165 14.1524 14.1524 18.1951 18.1951 21.2538 21.2538 22.6414 22.6414 k = 0.2177-0.1257 0.1778 ( 1259 PWs) bands (ev): -6.6095 -6.6095 -5.3608 -5.3608 -4.5148 -4.5148 -3.5397 -3.5397 -2.0178 -2.0178 -2.0019 -2.0019 -1.0809 -1.0809 6.9033 6.9033 8.5918 8.5918 8.9420 8.9420 11.0611 11.0611 11.7345 11.7345 11.8450 11.8450 14.2318 14.2318 18.1761 18.1761 21.3523 21.3523 22.7609 22.7609 k = 0.2258-0.1304 0.1844 ( 1259 PWs) bands (ev): -6.5665 -6.5665 -5.4008 -5.4008 -4.5107 -4.5107 -3.5384 -3.5384 -2.0080 -2.0080 -2.0014 -2.0014 -1.0314 -1.0314 6.7529 6.7529 8.5111 8.5111 8.8664 8.8664 11.1036 11.1036 11.7649 11.7649 11.8733 11.8733 14.3076 14.3076 18.1600 18.1600 21.4535 21.4535 22.8814 22.8814 k = 0.2339-0.1350 0.1910 ( 1259 PWs) bands (ev): -6.5225 -6.5225 -5.4404 -5.4404 -4.5066 -4.5066 -3.5368 -3.5368 -2.0009 -2.0009 -1.9981 -1.9981 -0.9825 -0.9825 6.6041 6.6041 8.4313 8.4313 8.7913 8.7913 11.1470 11.1470 11.7950 11.7950 11.9015 11.9015 14.3796 14.3796 18.1474 18.1474 21.5568 21.5568 23.0026 23.0026 k = 0.2419-0.1397 0.1975 ( 1259 PWs) bands (ev): -6.4778 -6.4778 -5.4794 -5.4794 -4.5025 -4.5025 -3.5348 -3.5348 -2.0004 -2.0004 -1.9883 -1.9883 -0.9344 -0.9344 6.4570 6.4570 8.3524 8.3524 8.7169 8.7169 11.1910 11.1910 11.8249 11.8249 11.9295 11.9295 14.4477 14.4477 18.1386 18.1386 21.6618 21.6618 23.1242 23.1242 k = 0.2500-0.1443 0.2041 ( 1283 PWs) bands (ev): -6.4322 -6.4322 -5.5178 -5.5178 -4.4985 -4.4985 -3.5326 -3.5326 -1.9999 -1.9999 -1.9784 -1.9784 -0.8872 -0.8872 6.3118 6.3118 8.2747 8.2747 8.6433 8.6433 11.2356 11.2356 11.8544 11.8544 11.9573 11.9573 14.5119 14.5119 18.1341 18.1341 21.7678 21.7678 23.2460 23.2460 k = 0.2581-0.1490 0.2107 ( 1267 PWs) bands (ev): -6.3861 -6.3861 -5.5555 -5.5555 -4.4944 -4.4944 -3.5300 -3.5300 -1.9994 -1.9994 -1.9684 -1.9684 -0.8409 -0.8409 6.1686 6.1686 8.1982 8.1982 8.5706 8.5706 11.2807 11.2807 11.8838 11.8838 11.9850 11.9850 14.5721 14.5721 18.1341 18.1341 21.8745 21.8745 23.3678 23.3678 k = 0.2661-0.1536 0.2173 ( 1267 PWs) bands (ev): -6.3393 -6.3393 -5.5924 -5.5924 -4.4905 -4.4905 -3.5273 -3.5273 -1.9989 -1.9989 -1.9585 -1.9585 -0.7955 -0.7955 6.0276 6.0276 8.1230 8.1230 8.4989 8.4989 11.3262 11.3262 11.9127 11.9127 12.0124 12.0124 14.6281 14.6281 18.1390 18.1390 21.9811 21.9811 23.4892 23.4892 k = 0.2742-0.1583 0.2239 ( 1267 PWs) bands (ev): -6.2921 -6.2921 -5.6286 -5.6286 -4.4866 -4.4866 -3.5244 -3.5244 -1.9984 -1.9984 -1.9486 -1.9486 -0.7513 -0.7513 5.8889 5.8889 8.0493 8.0493 8.4285 8.4285 11.3720 11.3720 11.9413 11.9413 12.0395 12.0395 14.6800 14.6800 18.1489 18.1489 22.0873 22.0873 23.6098 23.6098 k = 0.2823-0.1630 0.2305 ( 1267 PWs) bands (ev): -6.2445 -6.2445 -5.6638 -5.6638 -4.4827 -4.4827 -3.5214 -3.5214 -1.9979 -1.9979 -1.9387 -1.9387 -0.7081 -0.7081 5.7528 5.7528 7.9771 7.9771 8.3594 8.3594 11.4178 11.4178 11.9695 11.9695 12.0662 12.0662 14.7277 14.7277 18.1639 18.1639 22.1925 22.1925 23.7295 23.7295 k = 0.2903-0.1676 0.2370 ( 1267 PWs) bands (ev): -6.1967 -6.1967 -5.6981 -5.6981 -4.4790 -4.4790 -3.5182 -3.5182 -1.9974 -1.9974 -1.9289 -1.9289 -0.6661 -0.6661 5.6194 5.6194 7.9066 7.9066 8.2916 8.2916 11.4637 11.4637 11.9972 11.9972 12.0926 12.0926 14.7714 14.7714 18.1843 18.1843 22.2963 22.2963 23.8480 23.8480 k = 0.2984-0.1723 0.2436 ( 1267 PWs) bands (ev): -6.1487 -6.1487 -5.7315 -5.7315 -4.4753 -4.4753 -3.5149 -3.5149 -1.9969 -1.9969 -1.9192 -1.9192 -0.6253 -0.6253 5.4888 5.4888 7.8379 7.8379 8.2255 8.2255 11.5095 11.5095 12.0245 12.0245 12.1185 12.1185 14.8111 14.8111 18.2099 18.2099 22.3981 22.3981 23.9649 23.9649 k = 0.3065-0.1769 0.2502 ( 1266 PWs) bands (ev): -6.1008 -6.1008 -5.7638 -5.7638 -4.4717 -4.4717 -3.5116 -3.5116 -1.9965 -1.9965 -1.9096 -1.9096 -0.5858 -0.5858 5.3612 5.3612 7.7711 7.7711 8.1609 8.1609 11.5551 11.5551 12.0512 12.0512 12.1439 12.1439 14.8469 14.8469 18.2407 18.2407 22.4973 22.4973 24.0800 24.0800 k = 0.3145-0.1816 0.2568 ( 1266 PWs) bands (ev): -6.0529 -6.0529 -5.7951 -5.7951 -4.4683 -4.4683 -3.5082 -3.5082 -1.9961 -1.9961 -1.9001 -1.9001 -0.5476 -0.5476 5.2369 5.2369 7.7063 7.7063 8.0982 8.0982 11.6003 11.6003 12.0773 12.0773 12.1688 12.1688 14.8789 14.8789 18.2767 18.2767 22.5933 22.5933 24.1931 24.1931 k = 0.3226-0.1862 0.2634 ( 1266 PWs) bands (ev): -6.0054 -6.0054 -5.8253 -5.8253 -4.4650 -4.4650 -3.5048 -3.5048 -1.9957 -1.9957 -1.8907 -1.8907 -0.5108 -0.5108 5.1159 5.1159 7.6435 7.6435 8.0373 8.0373 11.6450 11.6450 12.1027 12.1027 12.1931 12.1931 14.9073 14.9073 18.3176 18.3176 22.6855 22.6855 24.3038 24.3038 k = 0.3306-0.1909 0.2700 ( 1258 PWs) bands (ev): -5.9582 -5.9582 -5.8544 -5.8544 -4.4618 -4.4618 -3.5013 -3.5013 -1.9954 -1.9954 -1.8815 -1.8815 -0.4753 -0.4753 4.9985 4.9985 7.5828 7.5828 7.9783 7.9783 11.6890 11.6890 12.1276 12.1276 12.2168 12.2168 14.9323 14.9323 18.3632 18.3632 22.7728 22.7728 24.4119 24.4119 k = 0.3387-0.1956 0.2766 ( 1258 PWs) bands (ev): -5.9116 -5.9116 -5.8823 -5.8823 -4.4588 -4.4588 -3.4980 -3.4980 -1.9951 -1.9951 -1.8726 -1.8726 -0.4413 -0.4413 4.8848 4.8848 7.5244 7.5244 7.9214 7.9214 11.7323 11.7323 12.1516 12.1516 12.2398 12.2398 14.9542 14.9542 18.4133 18.4133 22.8544 22.8544 24.5170 24.5170 k = 0.3468-0.2002 0.2831 ( 1258 PWs) bands (ev): -5.9090 -5.9090 -5.8657 -5.8657 -4.4560 -4.4560 -3.4946 -3.4946 -1.9949 -1.9949 -1.8638 -1.8638 -0.4088 -0.4088 4.7751 4.7751 7.4683 7.4683 7.8667 7.8667 11.7746 11.7746 12.1749 12.1749 12.2621 12.2621 14.9731 14.9731 18.4675 18.4675 22.9289 22.9289 24.6190 24.6190 k = 0.3548-0.2049 0.2897 ( 1258 PWs) bands (ev): -5.9345 -5.9345 -5.8206 -5.8206 -4.4533 -4.4533 -3.4913 -3.4913 -1.9948 -1.9948 -1.8553 -1.8553 -0.3777 -0.3777 4.6695 4.6695 7.4146 7.4146 7.8142 7.8142 11.8159 11.8159 12.1973 12.1973 12.2835 12.2835 14.9893 14.9893 18.5255 18.5255 22.9946 22.9946 24.5235 24.5235 k = 0.3629-0.2095 0.2963 ( 1254 PWs) bands (ev): -5.9587 -5.9587 -5.7766 -5.7766 -4.4507 -4.4507 -3.4881 -3.4881 -1.9947 -1.9947 -1.8470 -1.8470 -0.3482 -0.3482 4.5682 4.5682 7.3633 7.3633 7.7640 7.7640 11.8560 11.8560 12.2189 12.2189 12.3041 12.3041 15.0031 15.0031 18.5869 18.5869 23.0493 23.0493 24.4120 24.4120 k = 0.3710-0.2142 0.3029 ( 1250 PWs) bands (ev): -5.9817 -5.9817 -5.7338 -5.7338 -4.4484 -4.4484 -3.4850 -3.4850 -1.9946 -1.9946 -1.8391 -1.8391 -0.3202 -0.3202 4.4714 4.4714 7.3146 7.3146 7.7163 7.7163 11.8947 11.8947 12.2396 12.2396 12.3239 12.3239 15.0147 15.0147 18.6512 18.6512 23.0903 23.0903 24.3127 24.3127 k = 0.3790-0.2188 0.3095 ( 1250 PWs) bands (ev): -6.0034 -6.0034 -5.6923 -5.6923 -4.4462 -4.4462 -3.4820 -3.4820 -1.9946 -1.9946 -1.8315 -1.8315 -0.2938 -0.2938 4.3793 4.3793 7.2685 7.2685 7.6710 7.6710 11.9319 11.9319 12.2592 12.2592 12.3427 12.3427 15.0244 15.0244 18.7180 18.7180 23.1145 23.1145 24.2289 24.2289 k = 0.3871-0.2235 0.3161 ( 1250 PWs) bands (ev): -6.0237 -6.0237 -5.6524 -5.6524 -4.4442 -4.4442 -3.4791 -3.4791 -1.9947 -1.9947 -1.8242 -1.8242 -0.2691 -0.2691 4.2920 4.2920 7.2250 7.2250 7.6283 7.6283 11.9675 11.9675 12.2779 12.2779 12.3605 12.3605 15.0323 15.0323 18.7867 18.7867 23.1190 23.1190 24.1638 24.1638 k = 0.3952-0.2281 0.3226 ( 1246 PWs) bands (ev): -6.0428 -6.0428 -5.6142 -5.6142 -4.4424 -4.4424 -3.4764 -3.4764 -1.9948 -1.9948 -1.8174 -1.8174 -0.2459 -0.2459 4.2098 4.2098 7.1843 7.1843 7.5882 7.5882 12.0014 12.0014 12.2955 12.2955 12.3773 12.3773 15.0387 15.0387 18.8567 18.8567 23.1022 23.1022 24.1191 24.1191 k = 0.4032-0.2328 0.3292 ( 1246 PWs) bands (ev): -6.0605 -6.0605 -5.5780 -5.5780 -4.4407 -4.4407 -3.4738 -3.4738 -1.9949 -1.9949 -1.8109 -1.8109 -0.2244 -0.2244 4.1329 4.1329 7.1464 7.1464 7.5508 7.5508 12.0333 12.0333 12.3119 12.3119 12.3931 12.3931 15.0439 15.0439 18.9274 18.9274 23.0651 23.0651 24.0944 24.0944 k = 0.4113-0.2375 0.3358 ( 1254 PWs) bands (ev): -6.0768 -6.0768 -5.5437 -5.5437 -4.4393 -4.4393 -3.4714 -3.4714 -1.9951 -1.9951 -1.8048 -1.8048 -0.2045 -0.2045 4.0613 4.0613 7.1112 7.1112 7.5162 7.5162 12.0631 12.0631 12.3272 12.3272 12.4077 12.4077 15.0479 15.0479 18.9981 18.9981 23.0113 23.0113 24.0865 24.0865 k = 0.4194-0.2421 0.3424 ( 1254 PWs) bands (ev): -6.0918 -6.0918 -5.5118 -5.5118 -4.4380 -4.4380 -3.4691 -3.4691 -1.9953 -1.9953 -1.7992 -1.7992 -0.1863 -0.1863 3.9954 3.9954 7.0790 7.0790 7.4843 7.4843 12.0909 12.0909 12.3414 12.3414 12.4212 12.4212 15.0511 15.0511 19.0681 19.0681 22.9456 22.9456 24.0912 24.0912 k = 0.4274-0.2468 0.3490 ( 1254 PWs) bands (ev): -6.1054 -6.1054 -5.4822 -5.4822 -4.4369 -4.4369 -3.4671 -3.4671 -1.9956 -1.9956 -1.7941 -1.7941 -0.1698 -0.1698 3.9351 3.9351 7.0497 7.0497 7.4554 7.4554 12.1164 12.1164 12.3543 12.3543 12.4335 12.4335 15.0534 15.0534 19.1364 19.1364 22.8730 22.8730 24.1042 24.1042 k = 0.4355-0.2514 0.3556 ( 1254 PWs) bands (ev): -6.1176 -6.1176 -5.4553 -5.4553 -4.4359 -4.4359 -3.4652 -3.4652 -1.9958 -1.9958 -1.7894 -1.7894 -0.1550 -0.1550 3.8808 3.8808 7.0234 7.0234 7.4294 7.4294 12.1395 12.1395 12.3659 12.3659 12.4446 12.4446 15.0552 15.0552 19.2021 19.2021 22.7977 22.7977 24.1220 24.1220 k = 0.4435-0.2561 0.3622 ( 1254 PWs) bands (ev): -6.1283 -6.1283 -5.4311 -5.4311 -4.4351 -4.4351 -3.4635 -3.4635 -1.9961 -1.9961 -1.7853 -1.7853 -0.1419 -0.1419 3.8325 3.8325 7.0001 7.0001 7.4063 7.4063 12.1601 12.1601 12.3763 12.3763 12.4545 12.4545 15.0565 15.0565 19.2642 19.2642 22.7235 22.7235 24.1417 24.1417 k = 0.4516-0.2607 0.3687 ( 1242 PWs) bands (ev): -6.1377 -6.1377 -5.4098 -5.4098 -4.4344 -4.4344 -3.4620 -3.4620 -1.9963 -1.9963 -1.7816 -1.7816 -0.1306 -0.1306 3.7903 3.7903 6.9798 6.9798 7.3862 7.3862 12.1783 12.1783 12.3853 12.3853 12.4631 12.4631 15.0574 15.0574 19.3215 19.3215 22.6533 22.6533 24.1616 24.1616 k = 0.4597-0.2654 0.3753 ( 1242 PWs) bands (ev): -6.1456 -6.1456 -5.3915 -5.3915 -4.4339 -4.4339 -3.4608 -3.4608 -1.9966 -1.9966 -1.7785 -1.7785 -0.1210 -0.1210 3.7545 3.7545 6.9626 6.9626 7.3692 7.3692 12.1937 12.1937 12.3930 12.3930 12.4704 12.4704 15.0579 15.0579 19.3729 19.3729 22.5895 22.5895 24.1800 24.1800 k = 0.4677-0.2701 0.3819 ( 1242 PWs) bands (ev): -6.1521 -6.1521 -5.3764 -5.3764 -4.4334 -4.4334 -3.4598 -3.4598 -1.9968 -1.9968 -1.7760 -1.7760 -0.1131 -0.1131 3.7250 3.7250 6.9485 6.9485 7.3552 7.3552 12.2064 12.2064 12.3993 12.3993 12.4764 12.4764 15.0583 15.0583 19.4172 19.4172 22.5342 22.5342 24.1961 24.1961 k = 0.4758-0.2747 0.3885 ( 1238 PWs) bands (ev): -6.1571 -6.1571 -5.3645 -5.3645 -4.4331 -4.4331 -3.4590 -3.4590 -1.9969 -1.9969 -1.7740 -1.7740 -0.1069 -0.1069 3.7020 3.7020 6.9375 6.9375 7.3443 7.3443 12.2164 12.2164 12.4043 12.4043 12.4811 12.4811 15.0586 15.0586 19.4531 19.4531 22.4892 22.4892 24.2092 24.2092 k = 0.4839-0.2794 0.3951 ( 1234 PWs) bands (ev): -6.1608 -6.1608 -5.3560 -5.3560 -4.4329 -4.4329 -3.4584 -3.4584 -1.9971 -1.9971 -1.7725 -1.7725 -0.1025 -0.1025 3.6855 3.6855 6.9297 6.9297 7.3365 7.3365 12.2236 12.2236 12.4078 12.4078 12.4845 12.4845 15.0587 15.0587 19.4796 19.4796 22.4560 22.4560 24.2189 24.2189 k = 0.4919-0.2840 0.4017 ( 1234 PWs) bands (ev): -6.1629 -6.1629 -5.3508 -5.3508 -4.4327 -4.4327 -3.4580 -3.4580 -1.9971 -1.9971 -1.7717 -1.7717 -0.0999 -0.0999 3.6756 3.6756 6.9250 6.9250 7.3318 7.3318 12.2279 12.2279 12.4099 12.4099 12.4865 12.4865 15.0588 15.0588 19.4959 19.4959 22.4356 22.4356 24.2248 24.2248 k = 0.5000-0.2887 0.4082 ( 1234 PWs) bands (ev): -6.1636 -6.1636 -5.3491 -5.3491 -4.4327 -4.4327 -3.4579 -3.4579 -1.9972 -1.9972 -1.7714 -1.7714 -0.0990 -0.0990 3.6723 3.6723 6.9234 6.9234 7.3302 7.3302 12.2293 12.2293 12.4106 12.4106 12.4871 12.4871 15.0588 15.0588 19.5014 19.5014 22.4287 22.4287 24.2268 24.2268 k = 0.5000-0.2887 0.4082 ( 1234 PWs) bands (ev): -6.1636 -6.1636 -5.3491 -5.3491 -4.4327 -4.4327 -3.4579 -3.4579 -1.9972 -1.9972 -1.7714 -1.7714 -0.0990 -0.0990 3.6723 3.6723 6.9234 6.9234 7.3302 7.3302 12.2293 12.2293 12.4106 12.4106 12.4871 12.4871 15.0588 15.0588 19.5014 19.5014 22.4287 22.4287 24.2268 24.2268 k = 0.5000-0.2794 0.4148 ( 1234 PWs) bands (ev): -6.1634 -6.1634 -5.3502 -5.3502 -4.4317 -4.4317 -3.4579 -3.4579 -1.9967 -1.9967 -1.7711 -1.7711 -0.1007 -0.1007 3.6723 3.6723 6.9246 6.9246 7.3314 7.3314 12.2284 12.2284 12.4087 12.4087 12.4853 12.4853 15.0607 15.0607 19.5053 19.5053 22.4276 22.4276 24.2253 24.2253 k = 0.5000-0.2701 0.4214 ( 1234 PWs) bands (ev): -6.1625 -6.1625 -5.3534 -5.3534 -4.4285 -4.4285 -3.4580 -3.4580 -1.9955 -1.9955 -1.7702 -1.7702 -0.1057 -0.1057 3.6725 3.6725 6.9282 6.9282 7.3351 7.3351 12.2257 12.2257 12.4018 12.4018 12.4809 12.4809 15.0663 15.0663 19.5169 19.5169 22.4243 22.4243 24.2209 24.2209 k = 0.5000-0.2607 0.4280 ( 1240 PWs) bands (ev): -6.1612 -6.1612 -5.3587 -5.3587 -4.4234 -4.4234 -3.4580 -3.4580 -1.9935 -1.9935 -1.7687 -1.7687 -0.1139 -0.1139 3.6728 3.6728 6.9337 6.9337 7.3417 7.3417 12.2213 12.2213 12.3867 12.3867 12.4771 12.4771 15.0755 15.0755 19.5360 19.5360 22.4189 22.4189 24.2135 24.2135 k = 0.5000-0.2514 0.4346 ( 1240 PWs) bands (ev): -6.1593 -6.1593 -5.3661 -5.3661 -4.4163 -4.4163 -3.4581 -3.4581 -1.9907 -1.9907 -1.7665 -1.7665 -0.1254 -0.1254 3.6731 3.6731 6.9407 6.9407 7.3516 7.3516 12.2154 12.2154 12.3610 12.3610 12.4764 12.4764 15.0884 15.0884 19.5625 19.5625 22.4114 22.4114 24.2029 24.2029 k = 0.5000-0.2421 0.4412 ( 1240 PWs) bands (ev): -6.1568 -6.1568 -5.3752 -5.3752 -4.4075 -4.4075 -3.4582 -3.4582 -1.9872 -1.9872 -1.7636 -1.7636 -0.1400 -0.1400 3.6736 3.6736 6.9484 6.9484 7.3656 7.3656 12.2084 12.2084 12.3244 12.3244 12.4791 12.4791 15.1048 15.1048 19.5962 19.5962 22.4018 22.4018 24.1890 24.1890 k = 0.5000-0.2328 0.4478 ( 1244 PWs) bands (ev): -6.1538 -6.1538 -5.3861 -5.3861 -4.3970 -4.3970 -3.4583 -3.4583 -1.9830 -1.9830 -1.7599 -1.7599 -0.1577 -0.1577 3.6742 3.6742 6.9561 6.9561 7.3844 7.3844 12.2001 12.2001 12.2780 12.2780 12.4843 12.4843 15.1244 15.1244 19.6366 19.6366 22.3903 22.3903 24.1716 24.1716 k = 0.5000-0.2235 0.4543 ( 1244 PWs) bands (ev): -6.1503 -6.1503 -5.3985 -5.3985 -4.3852 -4.3852 -3.4584 -3.4584 -1.9784 -1.9784 -1.7553 -1.7553 -0.1783 -0.1783 3.6749 3.6749 6.9628 6.9628 7.4089 7.4089 12.1895 12.1895 12.2242 12.2242 12.4913 12.4913 15.1472 15.1472 19.6834 19.6834 22.3769 22.3769 24.1504 24.1504 k = 0.5000-0.2142 0.4609 ( 1248 PWs) bands (ev): -6.1462 -6.1462 -5.4123 -5.4123 -4.3721 -4.3721 -3.4586 -3.4586 -1.9732 -1.9732 -1.7497 -1.7497 -0.2017 -0.2017 3.6756 3.6756 6.9679 6.9679 7.4397 7.4397 12.1531 12.1531 12.1875 12.1875 12.4994 12.4994 15.1730 15.1730 19.7361 19.7361 22.3618 22.3618 24.1252 24.1252 k = 0.5000-0.2049 0.4675 ( 1248 PWs) bands (ev): -6.1416 -6.1416 -5.4273 -5.4273 -4.3580 -4.3580 -3.4588 -3.4588 -1.9678 -1.9678 -1.7429 -1.7429 -0.2278 -0.2278 3.6765 3.6765 6.9709 6.9709 7.4772 7.4772 12.0837 12.0837 12.1758 12.1758 12.5082 12.5082 15.2015 15.2015 19.7944 19.7944 22.3451 22.3451 24.0958 24.0958 k = 0.5000-0.1956 0.4741 ( 1248 PWs) bands (ev): -6.1365 -6.1365 -5.4434 -5.4434 -4.3430 -4.3430 -3.4590 -3.4590 -1.9621 -1.9621 -1.7350 -1.7350 -0.2563 -0.2563 3.6774 3.6774 6.9717 6.9717 7.5216 7.5216 12.0056 12.0056 12.1658 12.1658 12.5175 12.5175 15.2325 15.2325 19.8576 19.8576 22.3270 22.3270 24.0621 24.0621 k = 0.5000-0.1862 0.4807 ( 1246 PWs) bands (ev): -6.1308 -6.1308 -5.4603 -5.4603 -4.3274 -4.3274 -3.4593 -3.4593 -1.9564 -1.9564 -1.7256 -1.7256 -0.2872 -0.2872 3.6784 3.6784 6.9701 6.9701 7.5728 7.5728 11.9209 11.9209 12.1560 12.1560 12.5270 12.5270 15.2656 15.2656 19.9254 19.9254 22.3076 22.3076 24.0239 24.0239 k = 0.5000-0.1769 0.4873 ( 1250 PWs) bands (ev): -6.1247 -6.1247 -5.4779 -5.4779 -4.3114 -4.3114 -3.4596 -3.4596 -1.9507 -1.9507 -1.7148 -1.7148 -0.3202 -0.3202 3.6794 3.6794 6.9664 6.9664 7.6306 7.6306 11.8301 11.8301 12.1464 12.1464 12.5365 12.5365 15.3006 15.3006 19.9972 19.9972 22.2870 22.2870 23.9813 23.9813 k = 0.5000-0.1676 0.4938 ( 1246 PWs) bands (ev): -6.1181 -6.1181 -5.4961 -5.4961 -4.2951 -4.2951 -3.4599 -3.4599 -1.9452 -1.9452 -1.7023 -1.7023 -0.3551 -0.3551 3.6805 3.6805 6.9609 6.9609 7.6948 7.6948 11.7341 11.7341 12.1369 12.1369 12.5461 12.5461 15.3371 15.3371 20.0724 20.0724 22.2655 22.2655 23.9342 23.9342 k = 0.5000-0.1583 0.5004 ( 1246 PWs) bands (ev): -6.1110 -6.1110 -5.5148 -5.5148 -4.2787 -4.2787 -3.4603 -3.4603 -1.9400 -1.9400 -1.6881 -1.6881 -0.3918 -0.3918 3.6817 3.6817 6.9539 6.9539 7.7648 7.7648 11.6331 11.6331 12.1276 12.1276 12.5555 12.5555 15.3747 15.3747 20.1505 20.1505 22.2432 22.2432 23.8829 23.8829 k = 0.5000-0.1490 0.5070 ( 1242 PWs) bands (ev): -6.1034 -6.1034 -5.5337 -5.5337 -4.2624 -4.2624 -3.4608 -3.4608 -1.9351 -1.9351 -1.6721 -1.6721 -0.4301 -0.4301 3.6828 3.6828 6.9457 6.9457 7.8403 7.8403 11.5278 11.5278 12.1187 12.1187 12.5647 12.5647 15.4132 15.4132 20.2311 20.2311 22.2205 22.2205 23.8276 23.8276 k = 0.5000-0.1397 0.5136 ( 1242 PWs) bands (ev): -6.0954 -6.0954 -5.5528 -5.5528 -4.2462 -4.2462 -3.4612 -3.4612 -1.9306 -1.9306 -1.6542 -1.6542 -0.4698 -0.4698 3.6840 3.6840 6.9365 6.9365 7.9209 7.9209 11.4186 11.4186 12.1100 12.1100 12.5736 12.5736 15.4521 15.4521 20.3135 20.3135 22.1974 22.1974 23.7687 23.7687 k = 0.5000-0.1304 0.5202 ( 1238 PWs) bands (ev): -6.0870 -6.0870 -5.5719 -5.5719 -4.2305 -4.2305 -3.4617 -3.4617 -1.9266 -1.9266 -1.6346 -1.6346 -0.5106 -0.5106 3.6851 3.6851 6.9268 6.9268 8.0064 8.0064 11.3059 11.3059 12.1017 12.1017 12.5822 12.5822 15.4911 15.4911 20.3973 20.3973 22.1743 22.1743 23.7065 23.7065 k = 0.5000-0.1211 0.5268 ( 1238 PWs) bands (ev): -6.0782 -6.0782 -5.5910 -5.5910 -4.2152 -4.2152 -3.4622 -3.4622 -1.9230 -1.9230 -1.6131 -1.6131 -0.5524 -0.5524 3.6863 3.6863 6.9167 6.9167 8.0963 8.0963 11.1902 11.1902 12.0939 12.0939 12.5904 12.5904 15.5297 15.5297 20.4817 20.4817 22.1514 22.1514 23.6417 23.6417 k = 0.5000-0.1117 0.5334 ( 1242 PWs) bands (ev): -6.0691 -6.0691 -5.6099 -5.6099 -4.2005 -4.2005 -3.4628 -3.4628 -1.9198 -1.9198 -1.5900 -1.5900 -0.5950 -0.5950 3.6874 3.6874 6.9065 6.9065 8.1903 8.1903 11.0719 11.0719 12.0865 12.0865 12.5981 12.5981 15.5675 15.5675 20.5663 20.5663 22.1288 22.1288 23.5749 23.5749 k = 0.5000-0.1024 0.5399 ( 1246 PWs) bands (ev): -6.0597 -6.0597 -5.6285 -5.6285 -4.1866 -4.1866 -3.4634 -3.4634 -1.9171 -1.9171 -1.5651 -1.5651 -0.6381 -0.6381 3.6885 3.6885 6.8964 6.8964 8.2881 8.2881 10.9514 10.9514 12.0795 12.0795 12.6054 12.6054 15.6041 15.6041 20.6503 20.6503 22.1070 22.1070 23.5066 23.5066 k = 0.5000-0.0931 0.5465 ( 1246 PWs) bands (ev): -6.0501 -6.0501 -5.6468 -5.6468 -4.1734 -4.1734 -3.4639 -3.4639 -1.9147 -1.9147 -1.5387 -1.5387 -0.6816 -0.6816 3.6895 3.6895 6.8865 6.8865 8.3895 8.3895 10.8290 10.8290 12.0731 12.0731 12.6121 12.6121 15.6392 15.6392 20.7331 20.7331 22.0861 22.0861 23.4378 23.4378 k = 0.5000-0.0838 0.5531 ( 1240 PWs) bands (ev): -6.0403 -6.0403 -5.6644 -5.6644 -4.1613 -4.1613 -3.4645 -3.4645 -1.9127 -1.9127 -1.5110 -1.5110 -0.7251 -0.7251 3.6905 3.6905 6.8772 6.8772 8.4941 8.4941 10.7051 10.7051 12.0672 12.0672 12.6183 12.6183 15.6724 15.6724 20.8138 20.8138 22.0665 22.0665 23.3693 23.3693 k = 0.5000-0.0745 0.5597 ( 1232 PWs) bands (ev): -6.0306 -6.0306 -5.6814 -5.6814 -4.1501 -4.1501 -3.4650 -3.4650 -1.9110 -1.9110 -1.4820 -1.4820 -0.7683 -0.7683 3.6914 3.6914 6.8684 6.8684 8.6018 8.6018 10.5800 10.5800 12.0619 12.0619 12.6239 12.6239 15.7032 15.7032 20.8915 20.8915 22.0483 22.0483 23.3021 23.3021 k = 0.5000-0.0652 0.5663 ( 1232 PWs) bands (ev): -6.0209 -6.0209 -5.6975 -5.6975 -4.1401 -4.1401 -3.4655 -3.4655 -1.9095 -1.9095 -1.4520 -1.4520 -0.8111 -0.8111 3.6923 3.6923 6.8603 6.8603 8.7121 8.7121 10.4542 10.4542 12.0572 12.0572 12.6289 12.6289 15.7313 15.7313 20.9651 20.9651 22.0319 22.0319 23.2372 23.2372 k = 0.5000-0.0559 0.5729 ( 1232 PWs) bands (ev): -6.0115 -6.0115 -5.7125 -5.7125 -4.1312 -4.1312 -3.4660 -3.4660 -1.9083 -1.9083 -1.4215 -1.4215 -0.8529 -0.8529 3.6930 3.6930 6.8531 6.8531 8.8247 8.8247 10.3279 10.3279 12.0530 12.0530 12.6333 12.6333 15.7565 15.7565 21.0335 21.0335 22.0173 22.0173 23.1760 23.1760 k = 0.5000-0.0466 0.5794 ( 1234 PWs) bands (ev): -6.0027 -6.0027 -5.7261 -5.7261 -4.1236 -4.1236 -3.4665 -3.4665 -1.9074 -1.9074 -1.3908 -1.3908 -0.8932 -0.8932 3.6937 3.6937 6.8468 6.8468 8.9394 8.9394 10.2017 10.2017 12.0495 12.0495 12.6371 12.6371 15.7782 15.7782 21.0953 21.0953 22.0049 22.0049 23.1200 23.1200 k = 0.5000-0.0372 0.5860 ( 1234 PWs) bands (ev): -5.9946 -5.9946 -5.7381 -5.7381 -4.1173 -4.1173 -3.4668 -3.4668 -1.9066 -1.9066 -1.3608 -1.3608 -0.9311 -0.9311 3.6942 3.6942 6.8416 6.8416 9.0555 9.0555 10.0761 10.0761 12.0466 12.0466 12.6401 12.6401 15.7965 15.7965 21.1489 21.1489 21.9947 21.9947 23.0707 23.0707 k = 0.5000-0.0279 0.5926 ( 1232 PWs) bands (ev): -5.9878 -5.9878 -5.7481 -5.7481 -4.1123 -4.1123 -3.4671 -3.4671 -1.9061 -1.9061 -1.3328 -1.3328 -0.9653 -0.9653 3.6946 3.6946 6.8375 6.8375 9.1721 9.1721 9.9520 9.9520 12.0443 12.0443 12.6425 12.6425 15.8109 15.8109 21.1929 21.1929 21.9869 21.9869 23.0298 23.0298 k = 0.5000-0.0186 0.5992 ( 1232 PWs) bands (ev): -5.9824 -5.9824 -5.7556 -5.7556 -4.1088 -4.1088 -3.4674 -3.4674 -1.9057 -1.9057 -1.3088 -1.3088 -0.9938 -0.9938 3.6949 3.6949 6.8345 6.8345 9.2872 9.2872 9.8315 9.8315 12.0427 12.0427 12.6443 12.6443 15.8213 15.8213 21.2256 21.2256 21.9813 21.9813 22.9991 22.9991 k = 0.5000-0.0093 0.6058 ( 1232 PWs) bands (ev): -5.9791 -5.9791 -5.7603 -5.7603 -4.1066 -4.1066 -3.4675 -3.4675 -1.9054 -1.9054 -1.2919 -1.2919 -1.0134 -1.0134 3.6951 3.6951 6.8326 6.8326 9.3933 9.3933 9.7222 9.7222 12.0417 12.0417 12.6453 12.6453 15.8276 15.8276 21.2459 21.2459 21.9781 21.9781 22.9800 22.9800 k = 0.5000-0.0000 0.6124 ( 1232 PWs) bands (ev): -5.9779 -5.9779 -5.7619 -5.7619 -4.1059 -4.1059 -3.4675 -3.4675 -1.9054 -1.9054 -1.2857 -1.2857 -1.0205 -1.0205 3.6952 3.6952 6.8320 6.8320 9.4507 9.4507 9.6637 9.6637 12.0414 12.0414 12.6456 12.6456 15.8297 15.8297 21.2527 21.2527 21.9770 21.9770 22.9735 22.9735 k = 0.5000-0.0000 0.6124 ( 1232 PWs) bands (ev): -5.9779 -5.9779 -5.7619 -5.7619 -4.1059 -4.1059 -3.4675 -3.4675 -1.9054 -1.9054 -1.2857 -1.2857 -1.0205 -1.0205 3.6952 3.6952 6.8320 6.8320 9.4507 9.4507 9.6637 9.6637 12.0414 12.0414 12.6456 12.6456 15.8297 15.8297 21.2527 21.2527 21.9770 21.9770 22.9735 22.9735 k = 0.4943 0.0098 0.6124 ( 1232 PWs) bands (ev): -5.9785 -5.9785 -5.7611 -5.7611 -4.1063 -4.1063 -3.4676 -3.4676 -1.9055 -1.9055 -1.2890 -1.2890 -1.0170 -1.0170 3.6962 3.6962 6.8334 6.8334 9.4187 9.4187 9.6958 9.6958 12.0412 12.0412 12.6445 12.6445 15.8288 15.8288 21.2483 21.2483 21.9777 21.9777 22.9789 22.9789 k = 0.4886 0.0197 0.6124 ( 1232 PWs) bands (ev): -5.9803 -5.9803 -5.7588 -5.7588 -4.1077 -4.1077 -3.4679 -3.4679 -1.9059 -1.9059 -1.2982 -1.2982 -1.0076 -1.0076 3.6991 3.6991 6.8376 6.8376 9.3501 9.3501 9.7645 9.7645 12.0407 12.0407 12.6412 12.6412 15.8263 15.8263 21.2364 21.2364 21.9787 21.9787 22.9952 22.9952 k = 0.4830 0.0295 0.6124 ( 1232 PWs) bands (ev): -5.9833 -5.9833 -5.7548 -5.7548 -4.1098 -4.1098 -3.4683 -3.4683 -1.9065 -1.9065 -1.3117 -1.3117 -0.9936 -0.9936 3.7037 3.7037 6.8448 6.8448 9.2697 9.2697 9.8448 9.8448 12.0400 12.0400 12.6356 12.6356 15.8222 15.8222 21.2185 21.2185 21.9791 21.9791 23.0216 23.0216 k = 0.4773 0.0394 0.6124 ( 1234 PWs) bands (ev): -5.9873 -5.9873 -5.7494 -5.7494 -4.1127 -4.1127 -3.4688 -3.4688 -1.9073 -1.9073 -1.3280 -1.3280 -0.9766 -0.9766 3.7098 3.7098 6.8549 6.8549 9.1849 9.1849 9.9293 9.9293 12.0391 12.0391 12.6276 12.6276 15.8167 15.8167 21.1961 21.1961 21.9786 21.9786 23.0569 23.0569 k = 0.4716 0.0492 0.6124 ( 1232 PWs) bands (ev): -5.9922 -5.9922 -5.7426 -5.7426 -4.1163 -4.1163 -3.4695 -3.4695 -1.9084 -1.9084 -1.3459 -1.3459 -0.9580 -0.9580 3.7172 3.7172 6.8681 6.8681 9.0981 9.0981 10.0153 10.0153 12.0380 12.0380 12.6172 12.6172 15.8099 15.8099 21.1704 21.1704 21.9774 21.9774 23.0996 23.0996 k = 0.4659 0.0590 0.6124 ( 1232 PWs) bands (ev): -5.9979 -5.9979 -5.7348 -5.7348 -4.1204 -4.1204 -3.4704 -3.4704 -1.9096 -1.9096 -1.3644 -1.3644 -0.9386 -0.9386 3.7257 3.7257 6.8844 6.8844 9.0102 9.0102 10.1018 10.1018 12.0368 12.0368 12.6045 12.6045 15.8021 15.8021 21.1422 21.1422 21.9759 21.9759 23.1481 23.1481 k = 0.4602 0.0689 0.6124 ( 1236 PWs) bands (ev): -6.0041 -6.0041 -5.7262 -5.7262 -4.1251 -4.1251 -3.4713 -3.4713 -1.9111 -1.9111 -1.3829 -1.3829 -0.9190 -0.9190 3.7351 3.7351 6.9039 6.9039 8.9219 8.9219 10.1879 10.1879 12.0355 12.0355 12.5894 12.5894 15.7935 15.7935 21.1124 21.1124 21.9748 21.9748 23.2008 23.2008 k = 0.4545 0.0787 0.6124 ( 1236 PWs) bands (ev): -6.0107 -6.0107 -5.7169 -5.7169 -4.1301 -4.1301 -3.4723 -3.4723 -1.9127 -1.9127 -1.4009 -1.4009 -0.8997 -0.8997 3.7452 3.7452 6.9267 6.9267 8.8335 8.8335 10.2732 10.2732 12.0342 12.0342 12.5720 12.5720 15.7842 15.7842 21.0815 21.0815 21.9744 21.9744 23.2562 23.2562 k = 0.4489 0.0886 0.6124 ( 1239 PWs) bands (ev): -6.0174 -6.0174 -5.7072 -5.7072 -4.1355 -4.1355 -3.4734 -3.4734 -1.9144 -1.9144 -1.4183 -1.4183 -0.8810 -0.8810 3.7557 3.7557 6.9527 6.9527 8.7452 8.7452 10.3573 10.3573 12.0330 12.0330 12.5524 12.5524 15.7745 15.7745 21.0502 21.0502 21.9750 21.9750 23.3132 23.3132 k = 0.4432 0.0984 0.6124 ( 1243 PWs) bands (ev): -6.0241 -6.0241 -5.6973 -5.6973 -4.1410 -4.1410 -3.4746 -3.4746 -1.9163 -1.9163 -1.4347 -1.4347 -0.8632 -0.8632 3.7665 3.7665 6.9819 6.9819 8.6574 8.6574 10.4395 10.4395 12.0318 12.0318 12.5308 12.5308 15.7646 15.7646 21.0191 21.0191 21.9767 21.9767 23.3705 23.3705 k = 0.4375 0.1083 0.6124 ( 1251 PWs) bands (ev): -6.0307 -6.0307 -5.6874 -5.6874 -4.1467 -4.1467 -3.4758 -3.4758 -1.9182 -1.9182 -1.4500 -1.4500 -0.8465 -0.8465 3.7773 3.7773 7.0144 7.0144 8.5703 8.5703 10.5194 10.5194 12.0307 12.0307 12.5074 12.5074 15.7546 15.7546 20.9885 20.9885 21.9796 21.9796 23.4272 23.4272 k = 0.4318 0.1181 0.6124 ( 1251 PWs) bands (ev): -6.0371 -6.0371 -5.6777 -5.6777 -4.1523 -4.1523 -3.4770 -3.4770 -1.9201 -1.9201 -1.4640 -1.4640 -0.8309 -0.8309 3.7879 3.7879 7.0500 7.0500 8.4841 8.4841 10.5966 10.5966 12.0299 12.0299 12.4824 12.4824 15.7447 15.7447 20.9591 20.9591 21.9835 21.9835 23.4824 23.4824 k = 0.4261 0.1279 0.6124 ( 1250 PWs) bands (ev): -6.0431 -6.0431 -5.6684 -5.6684 -4.1578 -4.1578 -3.4781 -3.4781 -1.9221 -1.9221 -1.4768 -1.4768 -0.8166 -0.8166 3.7981 3.7981 7.0887 7.0887 8.3991 8.3991 10.6704 10.6704 12.0292 12.0292 12.4563 12.4563 15.7353 15.7353 20.9312 20.9312 21.9882 21.9882 23.5352 23.5352 k = 0.4205 0.1378 0.6124 ( 1242 PWs) bands (ev): -6.0487 -6.0487 -5.6596 -5.6596 -4.1631 -4.1631 -3.4792 -3.4792 -1.9240 -1.9240 -1.4883 -1.4883 -0.8036 -0.8036 3.8078 3.8078 7.1302 7.1302 8.3158 8.3158 10.7402 10.7402 12.0288 12.0288 12.4294 12.4294 15.7263 15.7263 20.9053 20.9053 21.9935 21.9935 23.5851 23.5851 k = 0.4148 0.1476 0.6124 ( 1242 PWs) bands (ev): -6.0537 -6.0537 -5.6514 -5.6514 -4.1681 -4.1681 -3.4802 -3.4802 -1.9258 -1.9258 -1.4984 -1.4984 -0.7921 -0.7921 3.8167 3.8167 7.1742 7.1742 8.2345 8.2345 10.8052 10.8052 12.0287 12.0287 12.4024 12.4024 15.7179 15.7179 20.8816 20.8816 21.9990 21.9990 23.6311 23.6311 k = 0.4091 0.1575 0.6124 ( 1248 PWs) bands (ev): -6.0583 -6.0583 -5.6441 -5.6441 -4.1726 -4.1726 -3.4812 -3.4812 -1.9275 -1.9275 -1.5072 -1.5072 -0.7821 -0.7821 3.8248 3.8248 7.2204 7.2204 8.1557 8.1557 10.8645 10.8645 12.0289 12.0289 12.3758 12.3758 15.7104 15.7104 20.8604 20.8604 22.0046 22.0046 23.6727 23.6727 k = 0.4034 0.1673 0.6124 ( 1244 PWs) bands (ev): -6.0622 -6.0622 -5.6376 -5.6376 -4.1766 -4.1766 -3.4820 -3.4820 -1.9290 -1.9290 -1.5146 -1.5146 -0.7735 -0.7735 3.8318 3.8318 7.2679 7.2679 8.0805 8.0805 10.9174 10.9174 12.0294 12.0294 12.3507 12.3507 15.7038 15.7038 20.8421 20.8421 22.0098 22.0098 23.7093 23.7093 k = 0.3977 0.1771 0.6124 ( 1244 PWs) bands (ev): -6.0654 -6.0654 -5.6322 -5.6322 -4.1800 -4.1800 -3.4827 -3.4827 -1.9302 -1.9302 -1.5206 -1.5206 -0.7665 -0.7665 3.8378 3.8378 7.3157 7.3157 8.0099 8.0099 10.9626 10.9626 12.0302 12.0302 12.3278 12.3278 15.6983 15.6983 20.8268 20.8268 22.0145 22.0145 23.7401 23.7401 k = 0.3920 0.1870 0.6124 ( 1244 PWs) bands (ev): -6.0680 -6.0680 -5.6279 -5.6279 -4.1827 -4.1827 -3.4832 -3.4832 -1.9313 -1.9313 -1.5253 -1.5253 -0.7610 -0.7610 3.8425 3.8425 7.3616 7.3616 7.9461 7.9461 10.9993 10.9993 12.0311 12.0311 12.3083 12.3083 15.6939 15.6939 20.8147 20.8147 22.0184 22.0184 23.7648 23.7648 k = 0.3864 0.1968 0.6124 ( 1244 PWs) bands (ev): -6.0698 -6.0698 -5.6248 -5.6248 -4.1847 -4.1847 -3.4836 -3.4836 -1.9320 -1.9320 -1.5286 -1.5286 -0.7570 -0.7570 3.8459 3.8459 7.4023 7.4023 7.8926 7.8926 11.0263 11.0263 12.0320 12.0320 12.2933 12.2933 15.6907 15.6907 20.8060 20.8060 22.0213 22.0213 23.7827 23.7827 k = 0.3807 0.2067 0.6124 ( 1248 PWs) bands (ev): -6.0710 -6.0710 -5.6229 -5.6229 -4.1860 -4.1860 -3.4839 -3.4839 -1.9325 -1.9325 -1.5306 -1.5306 -0.7547 -0.7547 3.8480 3.8480 7.4319 7.4319 7.8553 7.8553 11.0429 11.0429 12.0326 12.0326 12.2838 12.2838 15.6888 15.6888 20.8007 20.8007 22.0230 22.0230 23.7936 23.7936 k = 0.3750 0.2165 0.6124 ( 1250 PWs) bands (ev): -6.0713 -6.0713 -5.6223 -5.6223 -4.1864 -4.1864 -3.4840 -3.4840 -1.9327 -1.9327 -1.5313 -1.5313 -0.7539 -0.7539 3.8487 3.8487 7.4431 7.4431 7.8416 7.8416 11.0485 11.0485 12.0329 12.0329 12.2805 12.2805 15.6881 15.6881 20.7990 20.7990 22.0236 22.0236 23.7973 23.7973 k = 0.3750 0.2165 0.6124 ( 1250 PWs) bands (ev): -6.0713 -6.0713 -5.6223 -5.6223 -4.1864 -4.1864 -3.4840 -3.4840 -1.9327 -1.9327 -1.5313 -1.5313 -0.7539 -0.7539 3.8487 3.8487 7.4431 7.4431 7.8416 7.8416 11.0485 11.0485 12.0329 12.0329 12.2805 12.2805 15.6881 15.6881 20.7990 20.7990 22.0236 22.0236 23.7973 23.7973 k = 0.3692 0.2132 0.6030 ( 1246 PWs) bands (ev): -6.0664 -6.0664 -5.6343 -5.6343 -4.1781 -4.1781 -3.4875 -3.4875 -1.9332 -1.9332 -1.5083 -1.5083 -0.8001 -0.8001 3.8761 3.8761 7.4862 7.4862 7.8859 7.8859 10.9555 10.9555 11.9987 11.9987 12.2771 12.2771 15.7228 15.7228 20.8732 20.8732 21.9915 21.9915 23.7930 23.7930 k = 0.3635 0.2098 0.5935 ( 1238 PWs) bands (ev): -6.0618 -6.0618 -5.6455 -5.6455 -4.1712 -4.1712 -3.4912 -3.4912 -1.9342 -1.9342 -1.4859 -1.4859 -0.8452 -0.8452 3.9061 3.9061 7.5304 7.5304 7.9316 7.9316 10.8625 10.8625 11.9638 11.9638 12.2733 12.2733 15.7551 15.7551 20.9417 20.9417 21.9600 21.9600 23.7944 23.7944 k = 0.3577 0.2065 0.5841 ( 1238 PWs) bands (ev): -6.0577 -6.0577 -5.6557 -5.6557 -4.1657 -4.1657 -3.4951 -3.4951 -1.9356 -1.9356 -1.4644 -1.4644 -0.8885 -0.8885 3.9388 3.9388 7.5756 7.5756 7.9789 7.9789 10.7698 10.7698 11.9282 11.9282 12.2692 12.2692 15.7849 15.7849 21.0027 21.0027 21.9305 21.9305 23.8013 23.8013 k = 0.3519 0.2032 0.5747 ( 1242 PWs) bands (ev): -6.0542 -6.0542 -5.6650 -5.6650 -4.1617 -4.1617 -3.4990 -3.4990 -1.9374 -1.9374 -1.4448 -1.4448 -0.9292 -0.9292 3.9742 3.9742 7.6217 7.6217 8.0276 8.0276 10.6778 10.6778 11.8920 11.8920 12.2646 12.2646 15.8118 15.8118 21.0537 21.0537 21.9049 21.9049 23.8133 23.8133 k = 0.3462 0.1999 0.5653 ( 1234 PWs) bands (ev): -6.0512 -6.0512 -5.6734 -5.6734 -4.1593 -4.1593 -3.5029 -3.5029 -1.9395 -1.9395 -1.4279 -1.4279 -0.9663 -0.9663 4.0125 4.0125 7.6686 7.6686 8.0779 8.0779 10.5868 10.5868 11.8553 11.8553 12.2596 12.2596 15.8356 15.8356 21.0922 21.0922 21.8855 21.8855 23.8300 23.8300 k = 0.3404 0.1965 0.5558 ( 1234 PWs) bands (ev): -6.0488 -6.0488 -5.6808 -5.6808 -4.1584 -4.1584 -3.5068 -3.5068 -1.9420 -1.9420 -1.4151 -1.4151 -0.9985 -0.9985 4.0536 4.0536 7.7163 7.7163 8.1295 8.1295 10.4971 10.4971 11.8182 11.8182 12.2541 12.2541 15.8562 15.8562 21.1153 21.1153 21.8747 21.8747 23.8499 23.8499 k = 0.3346 0.1932 0.5464 ( 1234 PWs) bands (ev): -6.0470 -6.0470 -5.6872 -5.6872 -4.1592 -4.1592 -3.5106 -3.5106 -1.9447 -1.9447 -1.4078 -1.4078 -1.0244 -1.0244 4.0977 4.0977 7.7647 7.7647 8.1826 8.1826 10.4088 10.4088 11.7808 11.7808 12.2481 12.2481 15.8734 15.8734 21.1213 21.1213 21.8740 21.8740 23.8716 23.8716 k = 0.3288 0.1899 0.5370 ( 1234 PWs) bands (ev): -6.0461 -6.0461 -5.6926 -5.6926 -4.1617 -4.1617 -3.5143 -3.5143 -1.9479 -1.9479 -1.4072 -1.4072 -1.0426 -1.0426 4.1448 4.1448 7.8137 7.8137 8.2370 8.2370 10.3223 10.3223 11.7431 11.7431 12.2416 12.2416 15.8870 15.8870 21.1098 21.1098 21.8834 21.8834 23.8930 23.8930 k = 0.3231 0.1865 0.5276 ( 1234 PWs) bands (ev): -6.0458 -6.0458 -5.6971 -5.6971 -4.1657 -4.1657 -3.5179 -3.5179 -1.9513 -1.9513 -1.4141 -1.4141 -1.0524 -1.0524 4.1949 4.1949 7.8634 7.8634 8.2927 8.2927 10.2378 10.2378 11.7051 11.7051 12.2346 12.2346 15.8969 15.8969 21.0822 21.0822 21.9015 21.9015 23.9117 23.9117 k = 0.3173 0.1832 0.5182 ( 1236 PWs) bands (ev): -6.0465 -6.0465 -5.7006 -5.7006 -4.1714 -4.1714 -3.5212 -3.5212 -1.9551 -1.9551 -1.4280 -1.4280 -1.0544 -1.0544 4.2481 4.2481 7.9137 7.9137 8.3497 8.3497 10.1557 10.1557 11.6671 11.6671 12.2269 12.2269 15.9032 15.9032 21.0408 21.0408 21.9256 21.9256 23.9251 23.9251 k = 0.3115 0.1799 0.5087 ( 1242 PWs) bands (ev): -6.0481 -6.0481 -5.7031 -5.7031 -4.1787 -4.1787 -3.5243 -3.5243 -1.9592 -1.9592 -1.4478 -1.4478 -1.0498 -1.0498 4.3044 4.3044 7.9644 7.9644 8.4078 8.4078 10.0760 10.0760 11.6290 11.6290 12.2186 12.2186 15.9057 15.9057 20.9885 20.9885 21.9525 21.9525 23.9312 23.9312 k = 0.3058 0.1765 0.4993 ( 1242 PWs) bands (ev): -6.0507 -6.0507 -5.7046 -5.7046 -4.1875 -4.1875 -3.5272 -3.5272 -1.9637 -1.9637 -1.4716 -1.4716 -1.0403 -1.0403 4.3639 4.3639 8.0158 8.0158 8.4670 8.4670 9.9992 9.9992 11.5908 11.5908 12.2098 12.2098 15.9045 15.9045 20.9276 20.9276 21.9798 21.9798 23.9284 23.9284 k = 0.3000 0.1732 0.4899 ( 1238 PWs) bands (ev): -6.0544 -6.0544 -5.7051 -5.7051 -4.1977 -4.1977 -3.5298 -3.5298 -1.9684 -1.9684 -1.4980 -1.4980 -1.0276 -1.0276 4.4265 4.4265 8.0676 8.0676 8.5272 8.5272 9.9254 9.9254 11.5528 11.5528 12.2003 12.2003 15.8995 15.8995 20.8602 20.8602 22.0050 22.0050 23.9163 23.9163 k = 0.2942 0.1699 0.4805 ( 1238 PWs) bands (ev): -6.0594 -6.0594 -5.7045 -5.7045 -4.2091 -4.2091 -3.5321 -3.5321 -1.9735 -1.9735 -1.5257 -1.5257 -1.0130 -1.0130 4.4923 4.4923 8.1198 8.1198 8.5883 8.5883 9.8549 9.8549 11.5148 11.5148 12.1901 12.1901 15.8908 15.8908 20.7877 20.7877 22.0265 22.0265 23.8955 23.8955 k = 0.2885 0.1665 0.4711 ( 1252 PWs) bands (ev): -6.0657 -6.0657 -5.7028 -5.7028 -4.2217 -4.2217 -3.5342 -3.5342 -1.9789 -1.9789 -1.5537 -1.5537 -0.9977 -0.9977 4.5613 4.5613 8.1725 8.1725 8.6502 8.6502 9.7880 9.7880 11.4770 11.4770 12.1793 12.1793 15.8785 15.8785 20.7113 20.7113 22.0427 22.0427 23.8672 23.8672 k = 0.2827 0.1632 0.4616 ( 1248 PWs) bands (ev): -6.0734 -6.0734 -5.6998 -5.6998 -4.2353 -4.2353 -3.5361 -3.5361 -1.9845 -1.9845 -1.5814 -1.5814 -0.9823 -0.9823 4.6335 4.6335 8.2256 8.2256 8.7126 8.7126 9.7249 9.7249 11.4395 11.4395 12.1679 12.1679 15.8625 15.8625 20.6321 20.6321 22.0527 22.0527 23.8328 23.8328 k = 0.2769 0.1599 0.4522 ( 1248 PWs) bands (ev): -6.0827 -6.0827 -5.6956 -5.6956 -4.2498 -4.2498 -3.5377 -3.5377 -1.9905 -1.9905 -1.6084 -1.6084 -0.9675 -0.9675 4.7088 4.7088 8.2791 8.2791 8.7754 8.7754 9.6660 9.6660 11.4022 11.4022 12.1558 12.1558 15.8431 15.8431 20.5508 20.5508 22.0556 22.0556 23.7936 23.7936 k = 0.2712 0.1566 0.4428 ( 1248 PWs) bands (ev): -6.0937 -6.0937 -5.6901 -5.6901 -4.2649 -4.2649 -3.5392 -3.5392 -1.9968 -1.9968 -1.6344 -1.6344 -0.9536 -0.9536 4.7874 4.7874 8.3329 8.3329 8.8383 8.8383 9.6116 9.6116 11.3653 11.3653 12.1430 12.1430 15.8201 15.8201 20.4679 20.4679 22.0510 22.0510 23.7507 23.7507 k = 0.2654 0.1532 0.4334 ( 1256 PWs) bands (ev): -6.1065 -6.1065 -5.6832 -5.6832 -4.2805 -4.2805 -3.5404 -3.5404 -2.0033 -2.0033 -1.6591 -1.6591 -0.9412 -0.9412 4.8692 4.8692 8.3870 8.3870 8.9010 8.9010 9.5622 9.5622 11.3288 11.3288 12.1295 12.1295 15.7937 15.7937 20.3840 20.3840 22.0385 22.0385 23.7050 23.7050 k = 0.2596 0.1499 0.4240 ( 1248 PWs) bands (ev): -6.1211 -6.1211 -5.6748 -5.6748 -4.2964 -4.2964 -3.5415 -3.5415 -2.0100 -2.0100 -1.6825 -1.6825 -0.9303 -0.9303 4.9541 4.9541 8.4414 8.4414 8.9628 8.9628 9.5184 9.5184 11.2927 11.2927 12.1154 12.1154 15.7639 15.7639 20.2995 20.2995 22.0182 22.0182 23.6571 23.6571 k = 0.2538 0.1466 0.4145 ( 1244 PWs) bands (ev): -6.1376 -6.1376 -5.6650 -5.6650 -4.3125 -4.3125 -3.5425 -3.5425 -2.0169 -2.0169 -1.7046 -1.7046 -0.9214 -0.9214 5.0422 5.0422 8.4958 8.4958 9.0229 9.0229 9.4814 9.4814 11.2570 11.2570 12.1007 12.1007 15.7308 15.7308 20.2149 20.2149 21.9903 21.9903 23.6073 23.6073 k = 0.2481 0.1432 0.4051 ( 1243 PWs) bands (ev): -6.1559 -6.1559 -5.6537 -5.6537 -4.3285 -4.3285 -3.5434 -3.5434 -2.0239 -2.0239 -1.7252 -1.7252 -0.9146 -0.9146 5.1334 5.1334 8.5503 8.5503 9.0798 9.0798 9.4527 9.4527 11.2219 11.2219 12.0852 12.0852 15.6943 15.6943 20.1305 20.1305 21.9551 21.9551 23.5556 23.5556 k = 0.2423 0.1399 0.3957 ( 1249 PWs) bands (ev): -6.1762 -6.1762 -5.6409 -5.6409 -4.3445 -4.3445 -3.5442 -3.5442 -2.0311 -2.0311 -1.7445 -1.7445 -0.9100 -0.9100 5.2277 5.2277 8.6047 8.6047 9.1308 9.1308 9.4350 9.4350 11.1873 11.1873 12.0691 12.0691 15.6545 15.6545 20.0466 20.0466 21.9131 21.9131 23.5019 23.5019 k = 0.2365 0.1366 0.3863 ( 1251 PWs) bands (ev): -6.1983 -6.1983 -5.6265 -5.6265 -4.3602 -4.3602 -3.5450 -3.5450 -2.0383 -2.0383 -1.7625 -1.7625 -0.9078 -0.9078 5.3250 5.3250 8.6588 8.6588 9.1720 9.1720 9.4324 9.4324 11.1533 11.1533 12.0523 12.0523 15.6114 15.6114 19.9636 19.9636 21.8650 21.8650 23.4462 23.4462 k = 0.2308 0.1332 0.3768 ( 1243 PWs) bands (ev): -6.2223 -6.2223 -5.6107 -5.6107 -4.3755 -4.3755 -3.5457 -3.5457 -2.0454 -2.0454 -1.7792 -1.7792 -0.9082 -0.9082 5.4254 5.4254 8.7124 8.7124 9.1998 9.1998 9.4487 9.4487 11.1199 11.1199 12.0349 12.0349 15.5650 15.5650 19.8816 19.8816 21.8115 21.8115 23.3881 23.3881 k = 0.2250 0.1299 0.3674 ( 1245 PWs) bands (ev): -6.2479 -6.2479 -5.5934 -5.5934 -4.3903 -4.3903 -3.5464 -3.5464 -2.0525 -2.0525 -1.7948 -1.7948 -0.9111 -0.9111 5.5287 5.5287 8.7651 8.7651 9.2152 9.2152 9.4832 9.4832 11.0871 11.0871 12.0169 12.0169 15.5153 15.5153 19.8011 19.8011 21.7533 21.7533 23.3274 23.3274 k = 0.2192 0.1266 0.3580 ( 1245 PWs) bands (ev): -6.2752 -6.2752 -5.5746 -5.5746 -4.4045 -4.4045 -3.5471 -3.5471 -2.0595 -2.0595 -1.8093 -1.8093 -0.9168 -0.9168 5.6349 5.6349 8.8164 8.8164 9.2238 9.2238 9.5306 9.5306 11.0551 11.0551 11.9983 11.9983 15.4622 15.4622 19.7221 19.7221 21.6913 21.6913 23.2640 23.2640 k = 0.2135 0.1232 0.3486 ( 1247 PWs) bands (ev): -6.3041 -6.3041 -5.5543 -5.5543 -4.4182 -4.4182 -3.5477 -3.5477 -2.0664 -2.0664 -1.8228 -1.8228 -0.9252 -0.9252 5.7440 5.7440 8.8658 8.8658 9.2314 9.2314 9.5855 9.5855 11.0237 11.0237 11.9791 11.9791 15.4057 15.4057 19.6450 19.6450 21.6261 21.6261 23.1976 23.1976 k = 0.2077 0.1199 0.3392 ( 1247 PWs) bands (ev): -6.3343 -6.3343 -5.5327 -5.5327 -4.4312 -4.4312 -3.5483 -3.5483 -2.0730 -2.0730 -1.8354 -1.8354 -0.9363 -0.9363 5.8559 5.8559 8.9126 8.9126 9.2420 9.2420 9.6446 9.6446 10.9930 10.9930 11.9594 11.9594 15.3458 15.3458 19.5700 19.5700 21.5585 21.5585 23.1282 23.1282 k = 0.2019 0.1166 0.3297 ( 1251 PWs) bands (ev): -6.3658 -6.3658 -5.5097 -5.5097 -4.4435 -4.4435 -3.5489 -3.5489 -2.0795 -2.0795 -1.8471 -1.8471 -0.9503 -0.9503 5.9705 5.9705 8.9560 8.9560 9.2581 9.2581 9.7058 9.7058 10.9630 10.9630 11.9391 11.9391 15.2824 15.2824 19.4973 19.4973 21.4892 21.4892 23.0556 23.0556 k = 0.1962 0.1132 0.3203 ( 1257 PWs) bands (ev): -6.3984 -6.3984 -5.4853 -5.4853 -4.4552 -4.4552 -3.5495 -3.5495 -2.0856 -2.0856 -1.8581 -1.8581 -0.9671 -0.9671 6.0877 6.0877 8.9957 8.9957 9.2809 9.2809 9.7681 9.7681 10.9339 10.9339 11.9182 11.9182 15.2154 15.2154 19.4270 19.4270 21.4188 21.4188 22.9800 22.9800 k = 0.1904 0.1099 0.3109 ( 1257 PWs) bands (ev): -6.4319 -6.4319 -5.4598 -5.4598 -4.4661 -4.4661 -3.5500 -3.5500 -2.0916 -2.0916 -1.8684 -1.8684 -0.9866 -0.9866 6.2075 6.2075 9.0317 9.0317 9.3109 9.3109 9.8307 9.8307 10.9055 10.9055 11.8969 11.8969 15.1449 15.1449 19.3593 19.3593 21.3480 21.3480 22.9014 22.9014 k = 0.1846 0.1066 0.3015 ( 1257 PWs) bands (ev): -6.4662 -6.4662 -5.4329 -5.4329 -4.4763 -4.4763 -3.5504 -3.5504 -2.0972 -2.0972 -1.8781 -1.8781 -1.0088 -1.0088 6.3299 6.3299 9.0648 9.0648 9.3475 9.3475 9.8933 9.8933 10.8779 10.8779 11.8750 11.8750 15.0708 15.0708 19.2943 19.2943 21.2774 21.2774 22.8201 22.8201 k = 0.1788 0.1033 0.2921 ( 1253 PWs) bands (ev): -6.5012 -6.5012 -5.4049 -5.4049 -4.4858 -4.4858 -3.5507 -3.5507 -2.1025 -2.1025 -1.8873 -1.8873 -1.0337 -1.0337 6.4546 6.4546 9.0960 9.0960 9.3896 9.3896 9.9556 9.9556 10.8512 10.8512 11.8527 11.8527 14.9931 14.9931 19.2321 19.2321 21.2075 21.2075 22.7362 22.7362 k = 0.1731 0.0999 0.2826 ( 1253 PWs) bands (ev): -6.5367 -6.5367 -5.3759 -5.3759 -4.4946 -4.4946 -3.5509 -3.5509 -2.1076 -2.1076 -1.8959 -1.8959 -1.0611 -1.0611 6.5817 6.5817 9.1267 9.1267 9.4359 9.4359 10.0172 10.0172 10.8252 10.8252 11.8299 11.8299 14.9116 14.9116 19.1727 19.1727 21.1387 21.1387 22.6501 22.6501 k = 0.1673 0.0966 0.2732 ( 1255 PWs) bands (ev): -6.5724 -6.5724 -5.3458 -5.3458 -4.5028 -4.5028 -3.5509 -3.5509 -2.1124 -2.1124 -1.9041 -1.9041 -1.0910 -1.0910 6.7111 6.7111 9.1578 9.1578 9.4851 9.4851 10.0781 10.0781 10.8002 10.8002 11.8066 11.8066 14.8265 14.8265 19.1162 19.1162 21.0718 21.0718 22.5620 22.5620 k = 0.1615 0.0933 0.2638 ( 1249 PWs) bands (ev): -6.6084 -6.6084 -5.3147 -5.3147 -4.5104 -4.5104 -3.5508 -3.5508 -2.1169 -2.1169 -1.9118 -1.9118 -1.1234 -1.1234 6.8426 6.8426 9.1903 9.1903 9.5364 9.5364 10.1380 10.1380 10.7760 10.7760 11.7829 11.7829 14.7377 14.7377 19.0625 19.0625 21.0070 21.0070 22.4722 22.4722 k = 0.1558 0.0899 0.2544 ( 1253 PWs) bands (ev): -6.6444 -6.6444 -5.2827 -5.2827 -4.5175 -4.5175 -3.5504 -3.5504 -2.1212 -2.1212 -1.9191 -1.9191 -1.1579 -1.1579 6.9762 6.9762 9.2246 9.2246 9.5888 9.5888 10.1968 10.1968 10.7526 10.7526 11.7588 11.7588 14.6451 14.6451 19.0116 19.0116 20.9448 20.9448 22.3813 22.3813 k = 0.1500 0.0866 0.2449 ( 1253 PWs) bands (ev): -6.6802 -6.6802 -5.2499 -5.2499 -4.5239 -4.5239 -3.5497 -3.5497 -2.1253 -2.1253 -1.9260 -1.9260 -1.1946 -1.1946 7.1117 7.1117 9.2610 9.2610 9.6420 9.6420 10.2543 10.2543 10.7302 10.7302 11.7342 11.7342 14.5489 14.5489 18.9633 18.9633 20.8858 20.8858 22.2895 22.2895 k = 0.1442 0.0833 0.2355 ( 1257 PWs) bands (ev): -6.7158 -6.7158 -5.2165 -5.2165 -4.5299 -4.5299 -3.5488 -3.5488 -2.1293 -2.1293 -1.9326 -1.9326 -1.2332 -1.2332 7.2491 7.2491 9.2997 9.2997 9.6953 9.6953 10.3104 10.3104 10.7087 10.7087 11.7092 11.7092 14.4491 14.4491 18.9176 18.9176 20.8303 20.8303 22.1973 22.1973 k = 0.1385 0.0799 0.2261 ( 1253 PWs) bands (ev): -6.7509 -6.7509 -5.1824 -5.1824 -4.5354 -4.5354 -3.5475 -3.5475 -2.1331 -2.1331 -1.9388 -1.9388 -1.2736 -1.2736 7.3883 7.3883 9.3407 9.3407 9.7486 9.7486 10.3651 10.3651 10.6882 10.6882 11.6839 11.6839 14.3458 14.3458 18.8742 18.8742 20.7788 20.7788 22.1051 22.1051 k = 0.1327 0.0766 0.2167 ( 1253 PWs) bands (ev): -6.7856 -6.7856 -5.1478 -5.1478 -4.5404 -4.5404 -3.5458 -3.5458 -2.1368 -2.1368 -1.9448 -1.9448 -1.3155 -1.3155 7.5292 7.5292 9.3841 9.3841 9.8013 9.8013 10.4180 10.4180 10.6687 10.6687 11.6581 11.6581 14.2390 14.2390 18.8330 18.8330 20.7316 20.7316 22.0133 22.0133 k = 0.1269 0.0733 0.2073 ( 1265 PWs) bands (ev): -6.8196 -6.8196 -5.1129 -5.1129 -4.5450 -4.5450 -3.5437 -3.5437 -2.1405 -2.1405 -1.9504 -1.9504 -1.3589 -1.3589 7.6716 7.6716 9.4297 9.4297 9.8534 9.8534 10.4691 10.4691 10.6503 10.6503 11.6320 11.6320 14.1287 14.1287 18.7936 18.7936 20.6890 20.6890 21.9223 21.9223 k = 0.1212 0.0699 0.1978 ( 1265 PWs) bands (ev): -6.8528 -6.8528 -5.0777 -5.0777 -4.5492 -4.5492 -3.5410 -3.5410 -2.1442 -2.1442 -1.9557 -1.9557 -1.4034 -1.4034 7.8155 7.8155 9.4774 9.4774 9.9046 9.9046 10.5180 10.5180 10.6334 10.6334 11.6055 11.6055 14.0152 14.0152 18.7560 18.7560 20.6515 20.6515 21.8326 21.8326 k = 0.1154 0.0666 0.1884 ( 1261 PWs) bands (ev): -6.8851 -6.8851 -5.0424 -5.0424 -4.5531 -4.5531 -3.5378 -3.5378 -2.1480 -2.1480 -1.9607 -1.9607 -1.4487 -1.4487 7.9607 7.9607 9.5270 9.5270 9.9546 9.9546 10.5631 10.5631 10.6193 10.6193 11.5787 11.5787 13.8985 13.8985 18.7199 18.7199 20.6194 20.6194 21.7445 21.7445 k = 0.1096 0.0633 0.1790 ( 1261 PWs) bands (ev): -6.9165 -6.9165 -5.0072 -5.0072 -4.5566 -4.5566 -3.5340 -3.5340 -2.1520 -2.1520 -1.9654 -1.9654 -1.4947 -1.4947 8.1071 8.1071 9.5783 9.5783 10.0033 10.0033 10.5886 10.5886 10.6239 10.6239 11.5515 11.5515 13.7787 13.7787 18.6850 18.6850 20.5927 20.5927 21.6585 21.6585 k = 0.1038 0.0600 0.1696 ( 1261 PWs) bands (ev): -6.9468 -6.9468 -4.9721 -4.9721 -4.5598 -4.5598 -3.5296 -3.5296 -2.1563 -2.1563 -1.9699 -1.9699 -1.5410 -1.5410 8.2546 8.2546 9.6312 9.6312 10.0504 10.0504 10.5806 10.5806 10.6609 10.6609 11.5240 11.5240 13.6561 13.6561 18.6512 18.6512 20.5718 20.5718 21.5748 21.5748 k = 0.0981 0.0566 0.1602 ( 1261 PWs) bands (ev): -6.9759 -6.9759 -4.9374 -4.9374 -4.5627 -4.5627 -3.5244 -3.5244 -2.1609 -2.1609 -1.9741 -1.9741 -1.5873 -1.5873 8.4031 8.4031 9.6853 9.6853 10.0957 10.0957 10.5684 10.5684 10.7010 10.7010 11.4963 11.4963 13.5306 13.5306 18.6183 18.6183 20.5566 20.5566 21.4940 21.4940 k = 0.0923 0.0533 0.1507 ( 1259 PWs) bands (ev): -7.0037 -7.0037 -4.9032 -4.9032 -4.5654 -4.5654 -3.5185 -3.5185 -2.1661 -2.1661 -1.9780 -1.9780 -1.6332 -1.6332 8.5524 8.5524 9.7405 9.7405 10.1391 10.1391 10.5567 10.5567 10.7397 10.7397 11.4683 11.4683 13.4026 13.4026 18.5862 18.5862 20.5472 20.5472 21.4161 21.4161 k = 0.0865 0.0500 0.1413 ( 1265 PWs) bands (ev): -7.0303 -7.0303 -4.8698 -4.8698 -4.5678 -4.5678 -3.5118 -3.5118 -2.1720 -2.1720 -1.9817 -1.9817 -1.6783 -1.6783 8.7024 8.7024 9.7965 9.7965 10.1802 10.1802 10.5460 10.5460 10.7762 10.7762 11.4400 11.4400 13.2719 13.2719 18.5548 18.5548 20.5434 20.5434 21.3417 21.3417 k = 0.0808 0.0466 0.1319 ( 1261 PWs) bands (ev): -7.0554 -7.0554 -4.8373 -4.8373 -4.5700 -4.5700 -3.5043 -3.5043 -2.1788 -2.1788 -1.9851 -1.9851 -1.7221 -1.7221 8.8528 8.8528 9.8530 9.8530 10.2189 10.2189 10.5367 10.5367 10.8102 10.8102 11.4117 11.4117 13.1390 13.1390 18.5242 18.5242 20.5450 20.5450 21.2709 21.2709 k = 0.0750 0.0433 0.1225 ( 1257 PWs) bands (ev): -7.0791 -7.0791 -4.8059 -4.8059 -4.5720 -4.5720 -3.4961 -3.4961 -2.1867 -2.1867 -1.9882 -1.9882 -1.7641 -1.7641 9.0036 9.0036 9.9097 9.9097 10.2549 10.2549 10.5291 10.5291 10.8415 10.8415 11.3835 11.3835 13.0039 13.0039 18.4945 18.4945 20.5517 20.5517 21.2041 21.2041 k = 0.0692 0.0400 0.1131 ( 1257 PWs) bands (ev): -7.1013 -7.1013 -4.7759 -4.7759 -4.5738 -4.5738 -3.4871 -3.4871 -2.1959 -2.1959 -1.9911 -1.9911 -1.8037 -1.8037 9.1543 9.1543 9.9664 9.9664 10.2879 10.2879 10.5234 10.5234 10.8700 10.8700 11.3555 11.3555 12.8668 12.8668 18.4656 18.4656 20.5629 20.5629 21.1415 21.1415 k = 0.0635 0.0366 0.1036 ( 1251 PWs) bands (ev): -7.1219 -7.1219 -4.7474 -4.7474 -4.5754 -4.5754 -3.4775 -3.4775 -2.2067 -2.2067 -1.9937 -1.9937 -1.8405 -1.8405 9.3046 9.3046 10.0227 10.0227 10.3175 10.3175 10.5200 10.5200 10.8954 10.8954 11.3280 11.3280 12.7279 12.7279 18.4378 18.4378 20.5782 20.5782 21.0832 21.0832 k = 0.0577 0.0333 0.0942 ( 1251 PWs) bands (ev): -7.1408 -7.1408 -4.7206 -4.7206 -4.5768 -4.5768 -3.4672 -3.4672 -2.2193 -2.2193 -1.9961 -1.9961 -1.8738 -1.8738 9.4541 9.4541 10.0784 10.0784 10.3434 10.3434 10.5195 10.5195 10.9174 10.9174 11.3013 11.3013 12.5873 12.5873 18.4114 18.4114 20.5968 20.5968 21.0294 21.0294 k = 0.0519 0.0300 0.0848 ( 1247 PWs) bands (ev): -7.1581 -7.1581 -4.6958 -4.6958 -4.5781 -4.5781 -3.4566 -3.4566 -2.2336 -2.2336 -1.9983 -1.9983 -1.9032 -1.9032 9.6021 9.6021 10.1329 10.1329 10.3656 10.3656 10.5222 10.5222 10.9357 10.9357 11.2760 11.2760 12.4452 12.4452 18.3864 18.3864 20.6179 20.6179 20.9804 20.9804 k = 0.0462 0.0266 0.0754 ( 1243 PWs) bands (ev): -7.1737 -7.1737 -4.6730 -4.6730 -4.5792 -4.5792 -3.4457 -3.4457 -2.2494 -2.2494 -2.0002 -2.0002 -1.9284 -1.9284 9.7472 9.7472 10.1859 10.1859 10.3848 10.3848 10.5285 10.5285 10.9499 10.9499 11.2528 11.2528 12.3018 12.3018 18.3632 18.3632 20.6407 20.6407 20.9362 20.9362 k = 0.0404 0.0233 0.0659 ( 1243 PWs) bands (ev): -7.1875 -7.1875 -4.6526 -4.6526 -4.5801 -4.5801 -3.4349 -3.4349 -2.2664 -2.2664 -2.0019 -2.0019 -1.9495 -1.9495 9.8875 9.8875 10.2363 10.2363 10.4028 10.4028 10.5383 10.5383 10.9598 10.9598 11.2322 11.2322 12.1575 12.1575 18.3419 18.3419 20.6641 20.6641 20.8969 20.8969 k = 0.0346 0.0200 0.0565 ( 1243 PWs) bands (ev): -7.1995 -7.1995 -4.6346 -4.6346 -4.5810 -4.5810 -3.4245 -3.4245 -2.2837 -2.2837 -2.0034 -2.0034 -1.9667 -1.9667 10.0192 10.0192 10.2819 10.2819 10.4242 10.4242 10.5517 10.5517 10.9655 10.9655 11.2151 11.2151 12.0124 12.0124 18.3229 18.3229 20.6873 20.6873 20.8628 20.8628 k = 0.0288 0.0167 0.0471 ( 1243 PWs) bands (ev): -7.2097 -7.2097 -4.6191 -4.6191 -4.5817 -4.5817 -3.4147 -3.4147 -2.3006 -2.3006 -2.0046 -2.0046 -1.9802 -1.9802 10.1356 10.1356 10.3185 10.3185 10.4564 10.4564 10.5705 10.5705 10.9678 10.9678 11.2019 11.2019 11.8669 11.8669 18.3064 18.3064 20.7091 20.7091 20.8337 20.8337 k = 0.0231 0.0133 0.0377 ( 1243 PWs) bands (ev): -7.2181 -7.2181 -4.6063 -4.6063 -4.5822 -4.5822 -3.4059 -3.4059 -2.3160 -2.3160 -2.0056 -2.0056 -1.9906 -1.9906 10.2283 10.2283 10.3421 10.3421 10.5002 10.5002 10.6028 10.6028 10.9694 10.9694 11.1925 11.1925 11.7216 11.7216 18.2926 18.2926 20.7286 20.7286 20.8099 20.8099 k = 0.0173 0.0100 0.0283 ( 1243 PWs) bands (ev): -7.2247 -7.2247 -4.5962 -4.5962 -4.5826 -4.5826 -3.3987 -3.3987 -2.3291 -2.3291 -2.0064 -2.0064 -1.9982 -1.9982 10.2935 10.2935 10.3548 10.3548 10.5361 10.5361 10.6635 10.6635 10.9761 10.9761 11.1864 11.1864 11.5772 11.5772 18.2817 18.2817 20.7449 20.7449 20.7913 20.7913 k = 0.0115 0.0067 0.0188 ( 1243 PWs) bands (ev): -7.2294 -7.2294 -4.5890 -4.5890 -4.5830 -4.5830 -3.3932 -3.3932 -2.3390 -2.3390 -2.0069 -2.0069 -2.0034 -2.0034 10.3349 10.3349 10.3613 10.3613 10.5553 10.5553 10.7391 10.7391 11.0011 11.0011 11.1829 11.1829 11.4350 11.4350 18.2737 18.2737 20.7571 20.7571 20.7780 20.7780 k = 0.0058 0.0033 0.0094 ( 1243 PWs) bands (ev): -7.2322 -7.2322 -4.5846 -4.5846 -4.5831 -4.5831 -3.3897 -3.3897 -2.3452 -2.3452 -2.0073 -2.0073 -2.0064 -2.0064 10.3579 10.3579 10.3643 10.3643 10.5648 10.5648 10.7923 10.7923 11.0648 11.0648 11.1811 11.1811 11.2977 11.2977 18.2689 18.2689 20.7648 20.7648 20.7700 20.7700 k = 0.0000 0.0000 0.0000 ( 1243 PWs) bands (ev): -7.2331 -7.2331 -4.5832 -4.5832 -4.5832 -4.5832 -3.3886 -3.3886 -2.3474 -2.3474 -2.0074 -2.0074 -2.0074 -2.0074 10.3652 10.3652 10.3652 10.3652 10.5678 10.5678 10.8087 10.8087 11.1592 11.1592 11.1806 11.1806 11.1806 11.1806 18.2673 18.2673 20.7673 20.7673 20.7673 20.7673 k = 0.0000 0.0000 0.0000 ( 1243 PWs) bands (ev): -7.2331 -7.2331 -4.5832 -4.5832 -4.5832 -4.5832 -3.3886 -3.3886 -2.3474 -2.3474 -2.0074 -2.0074 -2.0074 -2.0074 10.3652 10.3652 10.3652 10.3652 10.5678 10.5678 10.8087 10.8087 11.1592 11.1592 11.1806 11.1806 11.1806 11.1806 18.2673 18.2673 20.7673 20.7673 20.7673 20.7673 k = 0.0094 0.0054 0.0039 ( 1243 PWs) bands (ev): -7.2322 -7.2322 -4.5846 -4.5846 -4.5832 -4.5832 -3.3898 -3.3898 -2.3452 -2.3452 -2.0072 -2.0072 -2.0064 -2.0064 10.3579 10.3579 10.3643 10.3643 10.5647 10.5647 10.7925 10.7925 11.0648 11.0648 11.1803 11.1803 11.2984 11.2984 18.2689 18.2689 20.7651 20.7651 20.7697 20.7697 k = 0.0189 0.0109 0.0077 ( 1243 PWs) bands (ev): -7.2294 -7.2294 -4.5889 -4.5889 -4.5830 -4.5830 -3.3932 -3.3932 -2.3390 -2.3390 -2.0068 -2.0068 -2.0035 -2.0035 10.3342 10.3342 10.3614 10.3614 10.5550 10.5550 10.7418 10.7418 11.0003 11.0003 11.1797 11.1797 11.4373 11.4373 18.2738 18.2738 20.7584 20.7584 20.7767 20.7767 k = 0.0283 0.0163 0.0116 ( 1243 PWs) bands (ev): -7.2247 -7.2247 -4.5961 -4.5961 -4.5828 -4.5828 -3.3987 -3.3987 -2.3291 -2.3291 -2.0060 -2.0060 -1.9985 -1.9985 10.2894 10.2894 10.3565 10.3565 10.5356 10.5356 10.6719 10.6719 10.9736 10.9736 11.1785 11.1785 11.5819 11.5819 18.2818 18.2818 20.7476 20.7476 20.7885 20.7885 k = 0.0377 0.0218 0.0154 ( 1243 PWs) bands (ev): -7.2181 -7.2181 -4.6060 -4.6060 -4.5825 -4.5825 -3.4060 -3.4060 -2.3160 -2.3160 -2.0049 -2.0049 -1.9911 -1.9911 10.2175 10.2175 10.3498 10.3498 10.5025 10.5025 10.6135 10.6135 10.9670 10.9670 11.1770 11.1770 11.7294 11.7294 18.2929 18.2929 20.7333 20.7333 20.8049 20.8049 k = 0.0472 0.0272 0.0193 ( 1243 PWs) bands (ev): -7.2097 -7.2097 -4.6186 -4.6186 -4.5822 -4.5822 -3.4147 -3.4147 -2.3008 -2.3008 -2.0036 -2.0036 -1.9810 -1.9810 10.1178 10.1178 10.3412 10.3412 10.4596 10.4596 10.5760 10.5760 10.9695 10.9695 11.1749 11.1749 11.8782 11.8782 18.3071 18.3071 20.7162 20.7162 20.8259 20.8259 k = 0.0566 0.0327 0.0231 ( 1243 PWs) bands (ev): -7.1995 -7.1995 -4.6338 -4.6338 -4.5817 -4.5817 -3.4245 -3.4245 -2.2842 -2.2842 -2.0019 -2.0019 -1.9676 -1.9676 9.9971 9.9971 10.3308 10.3308 10.4165 10.4165 10.5488 10.5488 10.9762 10.9762 11.1725 11.1725 12.0276 12.0276 18.3243 18.3243 20.6971 20.6971 20.8515 20.8515 k = 0.0660 0.0381 0.0270 ( 1243 PWs) bands (ev): -7.1874 -7.1874 -4.6515 -4.6515 -4.5812 -4.5812 -3.4350 -3.4350 -2.2673 -2.2673 -2.0000 -2.0000 -1.9505 -1.9505 9.8638 9.8638 10.3186 10.3186 10.3753 10.3753 10.5240 10.5240 10.9851 10.9851 11.1696 11.1696 12.1770 12.1770 18.3444 18.3444 20.6769 20.6769 20.8817 20.8817 k = 0.0755 0.0436 0.0308 ( 1243 PWs) bands (ev): -7.1736 -7.1736 -4.6714 -4.6714 -4.5806 -4.5806 -3.4458 -3.4458 -2.2511 -2.2511 -1.9977 -1.9977 -1.9294 -1.9294 9.7237 9.7237 10.3047 10.3047 10.3349 10.3349 10.4988 10.4988 10.9952 10.9952 11.1662 11.1662 12.3260 12.3260 18.3672 18.3672 20.6564 20.6564 20.9163 20.9163 k = 0.0849 0.0490 0.0347 ( 1249 PWs) bands (ev): -7.1581 -7.1581 -4.6935 -4.6935 -4.5800 -4.5800 -3.4567 -3.4567 -2.2363 -2.2363 -1.9952 -1.9952 -1.9039 -1.9039 9.5798 9.5798 10.2891 10.2891 10.2943 10.2943 10.4721 10.4721 11.0057 11.0057 11.1624 11.1624 12.4742 12.4742 18.3926 18.3926 20.6367 20.6367 20.9552 20.9552 k = 0.0943 0.0545 0.0385 ( 1249 PWs) bands (ev): -7.1409 -7.1409 -4.7176 -4.7176 -4.5793 -4.5793 -3.4673 -3.4673 -2.2232 -2.2232 -1.9924 -1.9924 -1.8743 -1.8743 9.4341 9.4341 10.2529 10.2529 10.2720 10.2720 10.4435 10.4435 11.0163 11.0163 11.1582 11.1582 12.6215 12.6215 18.4204 18.4204 20.6184 20.6184 20.9985 20.9985 k = 0.1038 0.0599 0.0424 ( 1255 PWs) bands (ev): -7.1220 -7.1220 -4.7433 -4.7433 -4.5785 -4.5785 -3.4776 -3.4776 -2.2121 -2.2121 -1.9893 -1.9893 -1.8406 -1.8406 9.2878 9.2878 10.2105 10.2105 10.2534 10.2534 10.4130 10.4130 11.0267 11.0267 11.1536 11.1536 12.7675 12.7675 18.4506 18.4506 20.6024 20.6024 21.0460 21.0460 k = 0.1132 0.0654 0.0462 ( 1255 PWs) bands (ev): -7.1016 -7.1016 -4.7705 -4.7705 -4.5777 -4.5777 -3.4874 -3.4874 -2.2030 -2.2030 -1.9860 -1.9860 -1.8035 -1.8035 9.1414 9.1414 10.1668 10.1668 10.2333 10.2333 10.3805 10.3805 11.0367 11.0367 11.1486 11.1486 12.9121 12.9121 18.4829 18.4829 20.5893 20.5893 21.0976 21.0976 k = 0.1226 0.0708 0.0501 ( 1254 PWs) bands (ev): -7.0797 -7.0797 -4.7990 -4.7990 -4.5768 -4.5768 -3.4965 -3.4965 -2.1957 -2.1957 -1.9823 -1.9823 -1.7634 -1.7634 8.9957 8.9957 10.1219 10.1219 10.2120 10.2120 10.3462 10.3462 11.0463 11.0463 11.1432 11.1432 13.0552 13.0552 18.5173 18.5173 20.5799 20.5799 21.1532 21.1532 k = 0.1321 0.0763 0.0539 ( 1260 PWs) bands (ev): -7.0563 -7.0563 -4.8284 -4.8284 -4.5759 -4.5759 -3.5049 -3.5049 -2.1898 -2.1898 -1.9785 -1.9785 -1.7210 -1.7210 8.8510 8.8510 10.0758 10.0758 10.1893 10.1893 10.3100 10.3100 11.0553 11.0553 11.1374 11.1374 13.1964 13.1964 18.5535 18.5535 20.5745 20.5745 21.2127 21.2127 k = 0.1415 0.0817 0.0578 ( 1266 PWs) bands (ev): -7.0316 -7.0316 -4.8587 -4.8587 -4.5749 -4.5749 -3.5127 -3.5127 -2.1852 -2.1852 -1.9744 -1.9744 -1.6768 -1.6768 8.7077 8.7077 10.0286 10.0286 10.1656 10.1656 10.2721 10.2721 11.0636 11.0636 11.1313 11.1313 13.3357 13.3357 18.5914 18.5914 20.5735 20.5735 21.2760 21.2760 k = 0.1509 0.0871 0.0616 ( 1266 PWs) bands (ev): -7.0056 -7.0056 -4.8894 -4.8894 -4.5739 -4.5739 -3.5197 -3.5197 -2.1817 -2.1817 -1.9701 -1.9701 -1.6314 -1.6314 8.5659 8.5659 9.9804 9.9804 10.1408 10.1408 10.2327 10.2327 11.0714 11.0714 11.1248 11.1248 13.4730 13.4730 18.6310 18.6310 20.5774 20.5774 21.3429 21.3429 k = 0.1604 0.0926 0.0655 ( 1260 PWs) bands (ev): -6.9784 -6.9784 -4.9203 -4.9203 -4.5729 -4.5729 -3.5261 -3.5261 -2.1790 -2.1790 -1.9655 -1.9655 -1.5852 -1.5852 8.4261 8.4261 9.9313 9.9313 10.1150 10.1150 10.1919 10.1919 11.0785 11.0785 11.1180 11.1180 13.6081 13.6081 18.6720 18.6720 20.5864 20.5864 21.4133 21.4133 k = 0.1698 0.0980 0.0693 ( 1260 PWs) bands (ev): -6.9502 -6.9502 -4.9512 -4.9512 -4.5718 -4.5718 -3.5319 -3.5319 -2.1770 -2.1770 -1.9608 -1.9608 -1.5387 -1.5387 8.2885 8.2885 9.8813 9.8813 10.0884 10.0884 10.1499 10.1499 11.0850 11.0850 11.1110 11.1110 13.7407 13.7407 18.7144 18.7144 20.6005 20.6005 21.4870 21.4870 k = 0.1792 0.1035 0.0732 ( 1254 PWs) bands (ev): -6.9210 -6.9210 -4.9818 -4.9818 -4.5707 -4.5707 -3.5371 -3.5371 -2.1756 -2.1756 -1.9558 -1.9558 -1.4923 -1.4923 8.1532 8.1532 9.8306 9.8306 10.0611 10.0611 10.1069 10.1069 11.0908 11.0908 11.1037 11.1037 13.8709 13.8709 18.7581 18.7581 20.6198 20.6198 21.5639 21.5639 k = 0.1887 0.1089 0.0770 ( 1254 PWs) bands (ev): -6.8911 -6.8911 -5.0120 -5.0120 -4.5696 -4.5696 -3.5418 -3.5418 -2.1746 -2.1746 -1.9507 -1.9507 -1.4461 -1.4461 8.0205 8.0205 9.7792 9.7792 10.0331 10.0331 10.0630 10.0630 11.0961 11.0961 11.0961 11.0961 13.9984 13.9984 18.8030 18.8030 20.6444 20.6444 21.6438 21.6438 k = 0.1981 0.1144 0.0809 ( 1260 PWs) bands (ev): -6.8605 -6.8605 -5.0413 -5.0413 -4.5685 -4.5685 -3.5461 -3.5461 -2.1740 -2.1740 -1.9454 -1.9454 -1.4007 -1.4007 7.8906 7.8906 9.7273 9.7273 10.0045 10.0045 10.0185 10.0185 11.0883 11.0883 11.1007 11.1007 14.1231 14.1231 18.8491 18.8491 20.6740 20.6740 21.7265 21.7265 k = 0.2075 0.1198 0.0847 ( 1260 PWs) bands (ev): -6.8294 -6.8294 -5.0697 -5.0697 -4.5674 -4.5674 -3.5501 -3.5501 -2.1736 -2.1736 -1.9400 -1.9400 -1.3562 -1.3562 7.7638 7.7638 9.6749 9.6749 9.9734 9.9734 9.9755 9.9755 11.0804 11.0804 11.1048 11.1048 14.2449 14.2449 18.8963 18.8963 20.7085 20.7085 21.8119 21.8119 k = 0.2170 0.1253 0.0886 ( 1254 PWs) bands (ev): -6.7980 -6.7980 -5.0968 -5.0968 -4.5663 -4.5663 -3.5538 -3.5538 -2.1735 -2.1735 -1.9344 -1.9344 -1.3128 -1.3128 7.6401 7.6401 9.6221 9.6221 9.9280 9.9280 9.9462 9.9462 11.0723 11.0723 11.1084 11.1084 14.3638 14.3638 18.9446 18.9446 20.7478 20.7478 21.8998 21.8998 k = 0.2264 0.1307 0.0924 ( 1254 PWs) bands (ev): -6.7665 -6.7665 -5.1225 -5.1225 -4.5652 -4.5652 -3.5572 -3.5572 -2.1736 -2.1736 -1.9287 -1.9287 -1.2709 -1.2709 7.5199 7.5199 9.5692 9.5692 9.8825 9.8825 9.9166 9.9166 11.0642 11.0642 11.1114 11.1114 14.4796 14.4796 18.9939 18.9939 20.7914 20.7914 21.9899 21.9899 k = 0.2358 0.1362 0.0963 ( 1251 PWs) bands (ev): -6.7351 -6.7351 -5.1464 -5.1464 -4.5641 -4.5641 -3.5606 -3.5606 -2.1739 -2.1739 -1.9229 -1.9229 -1.2305 -1.2305 7.4032 7.4032 9.5161 9.5161 9.8370 9.8370 9.8869 9.8869 11.0559 11.0559 11.1140 11.1140 14.5922 14.5922 19.0442 19.0442 20.8392 20.8392 22.0821 22.0821 k = 0.2453 0.1416 0.1001 ( 1251 PWs) bands (ev): -6.7040 -6.7040 -5.1684 -5.1684 -4.5630 -4.5630 -3.5638 -3.5638 -2.1742 -2.1742 -1.9170 -1.9170 -1.1919 -1.1919 7.2903 7.2903 9.4630 9.4630 9.7916 9.7916 9.8572 9.8572 11.0476 11.0476 11.1161 11.1161 14.7015 14.7015 19.0954 19.0954 20.8907 20.8907 22.1761 22.1761 k = 0.2547 0.1471 0.1040 ( 1251 PWs) bands (ev): -6.6734 -6.6734 -5.1881 -5.1881 -4.5619 -4.5619 -3.5671 -3.5671 -2.1746 -2.1746 -1.9111 -1.9111 -1.1552 -1.1552 7.1814 7.1814 9.4100 9.4100 9.7467 9.7467 9.8276 9.8276 11.0392 11.0392 11.1179 11.1179 14.8074 14.8074 19.1474 19.1474 20.9456 20.9456 22.2718 22.2718 k = 0.2642 0.1525 0.1078 ( 1251 PWs) bands (ev): -6.6436 -6.6436 -5.2055 -5.2055 -4.5608 -4.5608 -3.5704 -3.5704 -2.1751 -2.1751 -1.9051 -1.9051 -1.1206 -1.1206 7.0765 7.0765 9.3573 9.3573 9.7022 9.7022 9.7981 9.7981 11.0309 11.0309 11.1193 11.1193 14.9099 14.9099 19.2002 19.2002 21.0035 21.0035 22.3687 22.3687 k = 0.2736 0.1580 0.1117 ( 1251 PWs) bands (ev): -6.6149 -6.6149 -5.2203 -5.2203 -4.5598 -4.5598 -3.5739 -3.5739 -2.1756 -2.1756 -1.8991 -1.8991 -1.0881 -1.0881 6.9759 6.9759 9.3049 9.3049 9.6584 9.6584 9.7688 9.7688 11.0226 11.0226 11.1203 11.1203 15.0090 15.0090 19.2536 19.2536 21.0639 21.0639 22.4668 22.4668 k = 0.2830 0.1634 0.1155 ( 1251 PWs) bands (ev): -6.5874 -6.5874 -5.2322 -5.2322 -4.5588 -4.5588 -3.5775 -3.5775 -2.1762 -2.1762 -1.8931 -1.8931 -1.0578 -1.0578 6.8795 6.8795 9.2530 9.2530 9.6154 9.6154 9.7400 9.7400 11.0145 11.0145 11.1211 11.1211 15.1045 15.1045 19.3074 19.3074 21.1265 21.1265 22.5657 22.5657 k = 0.2925 0.1688 0.1194 ( 1254 PWs) bands (ev): -6.5615 -6.5615 -5.2412 -5.2412 -4.5578 -4.5578 -3.5814 -3.5814 -2.1767 -2.1767 -1.8872 -1.8872 -1.0299 -1.0299 6.7877 6.7877 9.2018 9.2018 9.5734 9.5734 9.7116 9.7116 11.0064 11.0064 11.1215 11.1215 15.1965 15.1965 19.3615 19.3615 21.1908 21.1908 22.6651 22.6651 k = 0.3019 0.1743 0.1232 ( 1254 PWs) bands (ev): -6.5372 -6.5372 -5.2470 -5.2470 -4.5569 -4.5569 -3.5856 -3.5856 -2.1773 -2.1773 -1.8813 -1.8813 -1.0044 -1.0044 6.7004 6.7004 9.1514 9.1514 9.5324 9.5324 9.6837 9.6837 10.9984 10.9984 11.1218 11.1218 15.2848 15.2848 19.4158 19.4158 21.2563 21.2563 22.7647 22.7647 k = 0.3113 0.1797 0.1271 ( 1254 PWs) bands (ev): -6.5149 -6.5149 -5.2497 -5.2497 -4.5560 -4.5560 -3.5900 -3.5900 -2.1778 -2.1778 -1.8754 -1.8754 -0.9812 -0.9812 6.6176 6.6176 9.1018 9.1018 9.4926 9.4926 9.6565 9.6565 10.9906 10.9906 11.1218 11.1218 15.3694 15.3694 19.4699 19.4699 21.3227 21.3227 22.8643 22.8643 k = 0.3208 0.1852 0.1309 ( 1254 PWs) bands (ev): -6.4946 -6.4946 -5.2492 -5.2492 -4.5551 -4.5551 -3.5948 -3.5948 -2.1784 -2.1784 -1.8697 -1.8697 -0.9603 -0.9603 6.5396 6.5396 9.0534 9.0534 9.4540 9.4540 9.6300 9.6300 10.9831 10.9831 11.1217 11.1217 15.4504 15.4504 19.5237 19.5237 21.3895 21.3895 22.9634 22.9634 k = 0.3302 0.1906 0.1348 ( 1254 PWs) bands (ev): -6.4764 -6.4764 -5.2455 -5.2455 -4.5543 -4.5543 -3.6000 -3.6000 -2.1788 -2.1788 -1.8641 -1.8641 -0.9418 -0.9418 6.4662 6.4662 9.0062 9.0062 9.4169 9.4169 9.6043 9.6043 10.9757 10.9757 11.1214 11.1214 15.5276 15.5276 19.5769 19.5769 21.4562 21.4562 23.0616 23.0616 k = 0.3396 0.1961 0.1387 ( 1254 PWs) bands (ev): -6.4604 -6.4604 -5.2388 -5.2388 -4.5535 -4.5535 -3.6056 -3.6056 -2.1793 -2.1793 -1.8586 -1.8586 -0.9256 -0.9256 6.3975 6.3975 8.9604 8.9604 9.3812 9.3812 9.5795 9.5795 10.9685 10.9685 11.1209 11.1209 15.6011 15.6011 19.6292 19.6292 21.5225 21.5225 23.1587 23.1587 k = 0.3491 0.2015 0.1425 ( 1254 PWs) bands (ev): -6.4466 -6.4466 -5.2291 -5.2291 -4.5527 -4.5527 -3.6115 -3.6115 -2.1798 -2.1798 -1.8533 -1.8533 -0.9115 -0.9115 6.3335 6.3335 8.9161 8.9161 9.3471 9.3471 9.5556 9.5556 10.9617 10.9617 11.1204 11.1204 15.6708 15.6708 19.6804 19.6804 21.5879 21.5879 23.2542 23.2542 k = 0.3585 0.2070 0.1464 ( 1254 PWs) bands (ev): -6.4348 -6.4348 -5.2169 -5.2169 -4.5520 -4.5520 -3.6178 -3.6178 -2.1802 -2.1802 -1.8482 -1.8482 -0.8996 -0.8996 6.2742 6.2742 8.8735 8.8735 9.3147 9.3147 9.5328 9.5328 10.9551 10.9551 11.1198 11.1198 15.7366 15.7366 19.7302 19.7302 21.6519 21.6519 23.3477 23.3477 k = 0.3679 0.2124 0.1502 ( 1254 PWs) bands (ev): -6.4251 -6.4251 -5.2024 -5.2024 -4.5513 -4.5513 -3.6244 -3.6244 -2.1805 -2.1805 -1.8433 -1.8433 -0.8896 -0.8896 6.2194 6.2194 8.8328 8.8328 9.2840 9.2840 9.5111 9.5111 10.9489 10.9489 11.1191 11.1191 15.7985 15.7985 19.7784 19.7784 21.7142 21.7142 23.4386 23.4386 k = 0.3774 0.2179 0.1541 ( 1254 PWs) bands (ev): -6.4171 -6.4171 -5.1859 -5.1859 -4.5507 -4.5507 -3.6314 -3.6314 -2.1809 -2.1809 -1.8386 -1.8386 -0.8814 -0.8814 6.1692 6.1692 8.7941 8.7941 9.2551 9.2551 9.4906 9.4906 10.9430 10.9430 11.1184 11.1184 15.8565 15.8565 19.8245 19.8245 21.7743 21.7743 23.5266 23.5266 k = 0.3868 0.2233 0.1579 ( 1251 PWs) bands (ev): -6.4108 -6.4108 -5.1679 -5.1679 -4.5501 -4.5501 -3.6386 -3.6386 -2.1812 -2.1812 -1.8342 -1.8342 -0.8748 -0.8748 6.1233 6.1233 8.7575 8.7575 9.2281 9.2281 9.4714 9.4714 10.9375 10.9375 11.1176 11.1176 15.9105 15.9105 19.8685 19.8685 21.8319 21.8319 23.6111 23.6111 k = 0.3962 0.2288 0.1618 ( 1251 PWs) bands (ev): -6.4059 -6.4059 -5.1489 -5.1489 -4.5496 -4.5496 -3.6459 -3.6459 -2.1814 -2.1814 -1.8300 -1.8300 -0.8697 -0.8697 6.0818 6.0818 8.7232 8.7232 9.2031 9.2031 9.4535 9.4535 10.9323 10.9323 11.1169 11.1169 15.9604 15.9604 19.9100 19.9100 21.8866 21.8866 23.6917 23.6917 k = 0.4057 0.2342 0.1656 ( 1251 PWs) bands (ev): -6.4023 -6.4023 -5.1294 -5.1294 -4.5491 -4.5491 -3.6533 -3.6533 -2.1816 -2.1816 -1.8261 -1.8261 -0.8660 -0.8660 6.0444 6.0444 8.6913 8.6913 9.1800 9.1800 9.4369 9.4369 10.9275 10.9275 11.1161 11.1161 16.0063 16.0063 19.9487 19.9487 21.9379 21.9379 23.7677 23.7677 k = 0.4151 0.2397 0.1695 ( 1251 PWs) bands (ev): -6.3997 -6.3997 -5.1097 -5.1097 -4.5487 -4.5487 -3.6606 -3.6606 -2.1818 -2.1818 -1.8226 -1.8226 -0.8633 -0.8633 6.0112 6.0112 8.6620 8.6620 9.1590 9.1590 9.4217 9.4217 10.9232 10.9232 11.1154 11.1154 16.0481 16.0481 19.9844 19.9844 21.9856 21.9856 23.8387 23.8387 k = 0.4245 0.2451 0.1733 ( 1245 PWs) bands (ev): -6.3979 -6.3979 -5.0905 -5.0905 -4.5483 -4.5483 -3.6678 -3.6678 -2.1820 -2.1820 -1.8194 -1.8194 -0.8615 -0.8615 5.9818 5.9818 8.6354 8.6354 9.1400 9.1400 9.4080 9.4080 10.9192 10.9192 11.1148 11.1148 16.0857 16.0857 20.0170 20.0170 22.0292 22.0292 23.9041 23.9041 k = 0.4340 0.2505 0.1772 ( 1242 PWs) bands (ev): -6.3968 -6.3968 -5.0722 -5.0722 -4.5480 -4.5480 -3.6746 -3.6746 -2.1822 -2.1822 -1.8165 -1.8165 -0.8604 -0.8604 5.9563 5.9563 8.6117 8.6117 9.1232 9.1232 9.3958 9.3958 10.9157 10.9157 11.1142 11.1142 16.1190 16.1190 20.0463 20.0463 22.0685 22.0685 23.9633 23.9633 k = 0.4434 0.2560 0.1810 ( 1242 PWs) bands (ev): -6.3962 -6.3962 -5.0552 -5.0552 -4.5477 -4.5477 -3.6810 -3.6810 -2.1823 -2.1823 -1.8139 -1.8139 -0.8599 -0.8599 5.9345 5.9345 8.5908 8.5908 9.1086 9.1086 9.3852 9.3852 10.9127 10.9127 11.1136 11.1136 16.1479 16.1479 20.0720 20.0720 22.1032 22.1032 24.0159 24.0159 k = 0.4528 0.2614 0.1849 ( 1242 PWs) bands (ev): -6.3959 -6.3959 -5.0400 -5.0400 -4.5474 -4.5474 -3.6868 -3.6868 -2.1824 -2.1824 -1.8118 -1.8118 -0.8598 -0.8598 5.9163 5.9163 8.5730 8.5730 9.0961 9.0961 9.3762 9.3762 10.9101 10.9101 11.1131 11.1131 16.1726 16.1726 20.0939 20.0939 22.1330 22.1330 24.0614 24.0614 k = 0.4623 0.2669 0.1887 ( 1242 PWs) bands (ev): -6.3958 -6.3958 -5.0270 -5.0270 -4.5472 -4.5472 -3.6917 -3.6917 -2.1825 -2.1825 -1.8100 -1.8100 -0.8599 -0.8599 5.9015 5.9015 8.5583 8.5583 9.0859 9.0859 9.3687 9.3687 10.9079 10.9079 11.1127 11.1127 16.1928 16.1928 20.1121 20.1121 22.1577 22.1577 24.0992 24.0992 k = 0.4717 0.2723 0.1926 ( 1236 PWs) bands (ev): -6.3958 -6.3958 -5.0165 -5.0165 -4.5470 -4.5470 -3.6957 -3.6957 -2.1825 -2.1825 -1.8086 -1.8086 -0.8601 -0.8601 5.8901 5.8901 8.5468 8.5468 9.0779 9.0779 9.3629 9.3629 10.9063 10.9063 11.1124 11.1124 16.2085 16.2085 20.1263 20.1263 22.1772 22.1772 24.1291 24.1291 k = 0.4811 0.2778 0.1964 ( 1230 PWs) bands (ev): -6.3959 -6.3959 -5.0088 -5.0088 -4.5469 -4.5469 -3.6987 -3.6987 -2.1826 -2.1826 -1.8076 -1.8076 -0.8604 -0.8604 5.8821 5.8821 8.5386 8.5386 9.0722 9.0722 9.3587 9.3587 10.9051 10.9051 11.1122 11.1122 16.2198 16.2198 20.1365 20.1365 22.1912 22.1912 24.1508 24.1508 k = 0.4906 0.2832 0.2003 ( 1224 PWs) bands (ev): -6.3960 -6.3960 -5.0041 -5.0041 -4.5468 -4.5468 -3.7005 -3.7005 -2.1826 -2.1826 -1.8070 -1.8070 -0.8605 -0.8605 5.8773 5.8773 8.5336 8.5336 9.0688 9.0688 9.3562 9.3562 10.9044 10.9044 11.1121 11.1121 16.2266 16.2266 20.1427 20.1427 22.1997 22.1997 24.1638 24.1638 k = 0.5000 0.2887 0.2041 ( 1224 PWs) bands (ev): -6.3960 -6.3960 -5.0025 -5.0025 -4.5468 -4.5468 -3.7011 -3.7011 -2.1826 -2.1826 -1.8068 -1.8068 -0.8606 -0.8606 5.8757 5.8757 8.5319 8.5319 9.0676 9.0676 9.3554 9.3554 10.9041 10.9041 11.1120 11.1120 16.2289 16.2289 20.1447 20.1447 22.2025 22.2025 24.1682 24.1682 k = 0.5000 0.2887 0.2041 ( 1224 PWs) bands (ev): -6.3960 -6.3960 -5.0025 -5.0025 -4.5468 -4.5468 -3.7011 -3.7011 -2.1826 -2.1826 -1.8068 -1.8068 -0.8606 -0.8606 5.8757 5.8757 8.5319 8.5319 9.0676 9.0676 9.3554 9.3554 10.9041 10.9041 11.1120 11.1120 16.2289 16.2289 20.1447 20.1447 22.2025 22.2025 24.1682 24.1682 k = 0.5033 0.2792 0.2095 ( 1224 PWs) bands (ev): -6.3954 -6.3954 -5.0053 -5.0053 -4.5446 -4.5446 -3.7007 -3.7007 -2.1819 -2.1819 -1.8065 -1.8065 -0.8608 -0.8608 5.8715 5.8715 8.5313 8.5313 9.0673 9.0673 9.3551 9.3551 10.9068 10.9068 11.1143 11.1143 16.2283 16.2283 20.1460 20.1460 22.2027 22.2027 24.1679 24.1679 k = 0.5066 0.2697 0.2149 ( 1230 PWs) bands (ev): -6.3936 -6.3936 -5.0135 -5.0135 -4.5381 -4.5381 -3.6996 -3.6996 -2.1799 -2.1799 -1.8058 -1.8058 -0.8614 -0.8614 5.8590 5.8590 8.5293 8.5293 9.0660 9.0660 9.3546 9.3546 10.9148 10.9148 11.1209 11.1209 16.2263 16.2263 20.1497 20.1497 22.2032 22.2032 24.1669 24.1669 k = 0.5099 0.2602 0.2202 ( 1233 PWs) bands (ev): -6.3907 -6.3907 -5.0267 -5.0267 -4.5278 -4.5278 -3.6976 -3.6976 -2.1766 -2.1766 -1.8045 -1.8045 -0.8624 -0.8624 5.8384 5.8384 8.5256 8.5256 9.0636 9.0636 9.3545 9.3545 10.9280 10.9280 11.1319 11.1319 16.2230 16.2230 20.1558 20.1558 22.2040 22.2040 24.1653 24.1653 k = 0.5132 0.2507 0.2256 ( 1233 PWs) bands (ev): -6.3865 -6.3865 -5.0441 -5.0441 -4.5144 -4.5144 -3.6949 -3.6949 -2.1720 -2.1720 -1.8027 -1.8027 -0.8638 -0.8638 5.8100 5.8100 8.5200 8.5200 9.0591 9.0591 9.3559 9.3559 10.9459 10.9459 11.1471 11.1471 16.2185 16.2185 20.1643 20.1643 22.2051 22.2051 24.1634 24.1634 k = 0.5164 0.2412 0.2310 ( 1234 PWs) bands (ev): -6.3813 -6.3813 -5.0650 -5.0650 -4.4986 -4.4986 -3.6914 -3.6914 -2.1661 -2.1661 -1.8004 -1.8004 -0.8656 -0.8656 5.7743 5.7743 8.5119 8.5119 9.0519 9.0519 9.3603 9.3603 10.9684 10.9684 11.1664 11.1664 16.2126 16.2126 20.1752 20.1752 22.2065 22.2065 24.1611 24.1611 k = 0.5197 0.2317 0.2364 ( 1233 PWs) bands (ev): -6.3748 -6.3748 -5.0886 -5.0886 -4.4812 -4.4812 -3.6872 -3.6872 -2.1591 -2.1591 -1.7974 -1.7974 -0.8678 -0.8678 5.7319 5.7319 8.5010 8.5010 9.0410 9.0410 9.3690 9.3690 10.9948 10.9948 11.1897 11.1897 16.2057 16.2057 20.1884 20.1884 22.2080 22.2080 24.1587 24.1587 k = 0.5230 0.2222 0.2417 ( 1229 PWs) bands (ev): -6.3673 -6.3673 -5.1144 -5.1144 -4.4626 -4.4626 -3.6823 -3.6823 -2.1509 -2.1509 -1.7937 -1.7937 -0.8704 -0.8704 5.6833 5.6833 8.4871 8.4871 9.0256 9.0256 9.3833 9.3833 11.0247 11.0247 11.2166 11.2166 16.1976 16.1976 20.2037 20.2037 22.2096 22.2096 24.1563 24.1563 k = 0.5263 0.2127 0.2471 ( 1233 PWs) bands (ev): -6.3587 -6.3587 -5.1419 -5.1419 -4.4435 -4.4435 -3.6768 -3.6768 -2.1418 -2.1418 -1.7893 -1.7893 -0.8734 -0.8734 5.6291 5.6291 8.4700 8.4700 9.0054 9.0054 9.4038 9.4038 11.0574 11.0574 11.2471 11.2471 16.1883 16.1883 20.2212 20.2212 22.2112 22.2112 24.1543 24.1543 k = 0.5296 0.2032 0.2525 ( 1235 PWs) bands (ev): -6.3491 -6.3491 -5.1705 -5.1705 -4.4241 -4.4241 -3.6707 -3.6707 -2.1317 -2.1317 -1.7842 -1.7842 -0.8767 -0.8767 5.5700 5.5700 8.4496 8.4496 8.9805 8.9805 9.4304 9.4304 11.0924 11.0924 11.2809 11.2809 16.1781 16.1781 20.2407 20.2407 22.2126 22.2126 24.1528 24.1528 k = 0.5329 0.1937 0.2578 ( 1235 PWs) bands (ev): -6.3385 -6.3385 -5.1999 -5.1999 -4.4048 -4.4048 -3.6640 -3.6640 -2.1209 -2.1209 -1.7781 -1.7781 -0.8804 -0.8804 5.5066 5.5066 8.4262 8.4262 8.9513 8.9513 9.4629 9.4629 11.1292 11.1292 11.3178 11.3178 16.1669 16.1669 20.2620 20.2620 22.2139 22.2139 24.1519 24.1519 k = 0.5362 0.1842 0.2632 ( 1235 PWs) bands (ev): -6.3270 -6.3270 -5.2299 -5.2299 -4.3858 -4.3858 -3.6569 -3.6569 -2.1094 -2.1094 -1.7710 -1.7710 -0.8845 -0.8845 5.4396 5.4396 8.4000 8.4000 8.9183 8.9183 9.5006 9.5006 11.1672 11.1672 11.3576 11.3576 16.1548 16.1548 20.2851 20.2851 22.2150 22.2150 24.1519 24.1519 k = 0.5395 0.1747 0.2686 ( 1235 PWs) bands (ev): -6.3146 -6.3146 -5.2601 -5.2601 -4.3674 -4.3674 -3.6493 -3.6493 -2.0975 -2.0975 -1.7629 -1.7629 -0.8889 -0.8889 5.3694 5.3694 8.3712 8.3712 8.8822 8.8822 9.5429 9.5429 11.2060 11.2060 11.4000 11.4000 16.1419 16.1419 20.3099 20.3099 22.2157 22.2157 24.1529 24.1529 k = 0.5428 0.1652 0.2740 ( 1233 PWs) bands (ev): -6.3014 -6.3014 -5.2903 -5.2903 -4.3495 -4.3495 -3.6414 -3.6414 -2.0853 -2.0853 -1.7537 -1.7537 -0.8936 -0.8936 5.2968 5.2968 8.3402 8.3402 8.8435 8.8435 9.5891 9.5891 11.2452 11.2452 11.4446 11.4446 16.1283 16.1283 20.3361 20.3361 22.2160 22.2160 24.1550 24.1550 k = 0.5461 0.1557 0.2793 ( 1235 PWs) bands (ev): -6.2875 -6.2875 -5.3205 -5.3205 -4.3323 -4.3323 -3.6332 -3.6332 -2.0730 -2.0730 -1.7431 -1.7431 -0.8985 -0.8985 5.2223 5.2223 8.3071 8.3071 8.8027 8.8027 9.6386 9.6386 11.2845 11.2845 11.4911 11.4911 16.1140 16.1140 20.3637 20.3637 22.2158 22.2158 24.1580 24.1580 k = 0.5493 0.1462 0.2847 ( 1231 PWs) bands (ev): -6.2729 -6.2729 -5.3502 -5.3502 -4.3160 -4.3160 -3.6247 -3.6247 -2.0608 -2.0608 -1.7313 -1.7313 -0.9037 -0.9037 5.1464 5.1464 8.2723 8.2723 8.7601 8.7601 9.6909 9.6909 11.3237 11.3237 11.5390 11.5390 16.0991 16.0991 20.3924 20.3924 22.2152 22.2152 24.1620 24.1620 k = 0.5526 0.1367 0.2901 ( 1237 PWs) bands (ev): -6.2577 -6.2577 -5.3795 -5.3795 -4.3005 -4.3005 -3.6162 -3.6162 -2.0488 -2.0488 -1.7181 -1.7181 -0.9091 -0.9091 5.0695 5.0695 8.2361 8.2361 8.7163 8.7163 9.7455 9.7455 11.3626 11.3626 11.5879 11.5879 16.0836 16.0836 20.4221 20.4221 22.2139 22.2139 24.1667 24.1667 k = 0.5559 0.1272 0.2954 ( 1237 PWs) bands (ev): -6.2421 -6.2421 -5.4082 -5.4082 -4.2858 -4.2858 -3.6075 -3.6075 -2.0373 -2.0373 -1.7035 -1.7035 -0.9146 -0.9146 4.9921 4.9921 8.1987 8.1987 8.6714 8.6714 9.8020 9.8020 11.4012 11.4012 11.6374 11.6374 16.0677 16.0677 20.4527 20.4527 22.2121 22.2121 24.1717 24.1717 k = 0.5592 0.1177 0.3008 ( 1237 PWs) bands (ev): -6.2262 -6.2262 -5.4360 -5.4360 -4.2721 -4.2721 -3.5988 -3.5988 -2.0263 -2.0263 -1.6876 -1.6876 -0.9201 -0.9201 4.9147 4.9147 8.1604 8.1604 8.6259 8.6259 9.8600 9.8600 11.4393 11.4393 11.6870 11.6870 16.0515 16.0515 20.4840 20.4840 22.2096 22.2096 24.1764 24.1764 k = 0.5625 0.1083 0.3062 ( 1231 PWs) bands (ev): -6.2100 -6.2100 -5.4629 -5.4629 -4.2592 -4.2592 -3.5902 -3.5902 -2.0160 -2.0160 -1.6705 -1.6705 -0.9255 -0.9255 4.8377 4.8377 8.1213 8.1213 8.5799 8.5799 9.9192 9.9192 11.4769 11.4769 11.7364 11.7364 16.0349 16.0349 20.5159 20.5159 22.2065 22.2065 24.1802 24.1802 k = 0.5658 0.0988 0.3116 ( 1241 PWs) bands (ev): -6.1938 -6.1938 -5.4888 -5.4888 -4.2473 -4.2473 -3.5817 -3.5817 -2.0064 -2.0064 -1.6524 -1.6524 -0.9308 -0.9308 4.7614 4.7614 8.0817 8.0817 8.5337 8.5337 9.9793 9.9793 11.5139 11.5139 11.7850 11.7850 16.0180 16.0180 20.5480 20.5480 22.2025 22.2025 24.1819 24.1819 k = 0.5691 0.0893 0.3169 ( 1243 PWs) bands (ev): -6.1777 -6.1777 -5.5133 -5.5133 -4.2362 -4.2362 -3.5734 -3.5734 -1.9975 -1.9975 -1.6334 -1.6334 -0.9356 -0.9356 4.6863 4.6863 8.0416 8.0416 8.4875 8.4875 10.0402 10.0402 11.5503 11.5503 11.8327 11.8327 16.0009 16.0009 20.5804 20.5804 22.1977 22.1977 24.1805 24.1805 k = 0.5724 0.0798 0.3223 ( 1245 PWs) bands (ev): -6.1618 -6.1618 -5.5364 -5.5364 -4.2261 -4.2261 -3.5652 -3.5652 -1.9893 -1.9893 -1.6140 -1.6140 -0.9400 -0.9400 4.6126 4.6126 8.0014 8.0014 8.4415 8.4415 10.1016 10.1016 11.5860 11.5860 11.8790 11.8790 15.9837 15.9837 20.6128 20.6128 22.1920 22.1920 24.1745 24.1745 k = 0.5757 0.0703 0.3277 ( 1245 PWs) bands (ev): -6.1465 -6.1465 -5.5579 -5.5579 -4.2168 -4.2168 -3.5573 -3.5573 -1.9818 -1.9818 -1.5945 -1.5945 -0.9435 -0.9435 4.5407 4.5407 7.9611 7.9611 8.3959 8.3959 10.1634 10.1634 11.6209 11.6209 11.9237 11.9237 15.9663 15.9663 20.6450 20.6450 22.1850 22.1850 24.1626 24.1626 k = 0.5789 0.0608 0.3330 ( 1241 PWs) bands (ev): -6.1317 -6.1317 -5.5776 -5.5776 -4.2084 -4.2084 -3.5498 -3.5498 -1.9751 -1.9751 -1.5752 -1.5752 -0.9460 -0.9460 4.4710 4.4710 7.9210 7.9210 8.3508 8.3508 10.2253 10.2253 11.6551 11.6551 11.9664 11.9664 15.9488 15.9488 20.6769 20.6769 22.1768 22.1768 24.1437 24.1437 k = 0.5822 0.0513 0.3384 ( 1241 PWs) bands (ev): -6.1179 -6.1179 -5.5954 -5.5954 -4.2009 -4.2009 -3.5425 -3.5425 -1.9690 -1.9690 -1.5567 -1.5567 -0.9471 -0.9471 4.4036 4.4036 7.8810 7.8810 8.3063 8.3063 10.2872 10.2872 11.6885 11.6885 12.0070 12.0070 15.9311 15.9311 20.7081 20.7081 22.1669 22.1669 24.1175 24.1175 k = 0.5855 0.0418 0.3438 ( 1244 PWs) bands (ev): -6.1052 -6.1052 -5.6110 -5.6110 -4.1943 -4.1943 -3.5356 -3.5356 -1.9634 -1.9634 -1.5395 -1.5395 -0.9466 -0.9466 4.3389 4.3389 7.8415 7.8415 8.2627 8.2627 10.3491 10.3491 11.7210 11.7210 12.0452 12.0452 15.9134 15.9134 20.7386 20.7386 22.1553 22.1553 24.0847 24.0847 k = 0.5888 0.0323 0.3492 ( 1244 PWs) bands (ev): -6.0939 -6.0939 -5.6242 -5.6242 -4.1886 -4.1886 -3.5291 -3.5291 -1.9585 -1.9585 -1.5240 -1.5240 -0.9440 -0.9440 4.2772 4.2772 7.8024 7.8024 8.2200 8.2200 10.4107 10.4107 11.7526 11.7526 12.0809 12.0809 15.8956 15.8956 20.7679 20.7679 22.1418 22.1418 24.0469 24.0469 k = 0.5921 0.0228 0.3545 ( 1242 PWs) bands (ev): -6.0842 -6.0842 -5.6349 -5.6349 -4.1838 -4.1838 -3.5229 -3.5229 -1.9540 -1.9540 -1.5107 -1.5107 -0.9390 -0.9390 4.2186 4.2186 7.7641 7.7641 8.1784 8.1784 10.4721 10.4721 11.7833 11.7833 12.1139 12.1139 15.8776 15.8776 20.7956 20.7956 22.1263 22.1263 24.0064 24.0064 k = 0.5954 0.0133 0.3599 ( 1242 PWs) bands (ev): -6.0761 -6.0761 -5.6430 -5.6430 -4.1798 -4.1798 -3.5172 -3.5172 -1.9500 -1.9500 -1.5000 -1.5000 -0.9315 -0.9315 4.1635 4.1635 7.7265 7.7265 8.1379 8.1379 10.5330 10.5330 11.8131 11.8131 12.1440 12.1440 15.8596 15.8596 20.8212 20.8212 22.1090 22.1090 23.9656 23.9656 k = 0.5987 0.0038 0.3653 ( 1242 PWs) bands (ev): -6.0699 -6.0699 -5.6485 -5.6485 -4.1768 -4.1768 -3.5119 -3.5119 -1.9465 -1.9465 -1.4923 -1.4923 -0.9212 -0.9212 4.1119 4.1119 7.6898 7.6898 8.0986 8.0986 10.5933 10.5933 11.8418 11.8418 12.1713 12.1713 15.8414 15.8414 20.8441 20.8441 22.0901 22.0901 23.9268 23.9268 k = 0.6020-0.0057 0.3706 ( 1238 PWs) bands (ev): -6.0656 -6.0656 -5.6515 -5.6515 -4.1747 -4.1747 -3.5070 -3.5070 -1.9434 -1.9434 -1.4876 -1.4876 -0.9080 -0.9080 4.0641 4.0641 7.6541 7.6541 8.0608 8.0608 10.6531 10.6531 11.8696 11.8696 12.1955 12.1955 15.8231 15.8231 20.8635 20.8635 22.0704 22.0704 23.8916 23.8916 k = 0.6053-0.0152 0.3760 ( 1242 PWs) bands (ev): -6.0630 -6.0630 -5.6520 -5.6520 -4.1735 -4.1735 -3.5025 -3.5025 -1.9407 -1.9407 -1.4861 -1.4861 -0.8921 -0.8921 4.0203 4.0203 7.6196 7.6196 8.0244 8.0244 10.7122 10.7122 11.8962 11.8962 12.2167 12.2167 15.8046 15.8046 20.8782 20.8782 22.0508 22.0508 23.8613 23.8613 k = 0.6086-0.0247 0.3814 ( 1240 PWs) bands (ev): -6.0619 -6.0619 -5.6504 -5.6504 -4.1732 -4.1732 -3.4984 -3.4984 -1.9384 -1.9384 -1.4876 -1.4876 -0.8735 -0.8735 3.9807 3.9807 7.5863 7.5863 7.9895 7.9895 10.7706 10.7706 11.9219 11.9219 12.2349 12.2349 15.7859 15.7859 20.8870 20.8870 22.0328 22.0328 23.8366 23.8366 k = 0.6118-0.0342 0.3868 ( 1244 PWs) bands (ev): -6.0622 -6.0622 -5.6470 -5.6470 -4.1739 -4.1739 -3.4947 -3.4947 -1.9365 -1.9365 -1.4920 -1.4920 -0.8527 -0.8527 3.9453 3.9453 7.5545 7.5545 7.9563 7.9563 10.8281 10.8281 11.9464 11.9464 12.2500 12.2500 15.7669 15.7669 20.8886 20.8886 22.0180 22.0180 23.8179 23.8179 k = 0.6151-0.0437 0.3921 ( 1246 PWs) bands (ev): -6.0636 -6.0636 -5.6420 -5.6420 -4.1756 -4.1756 -3.4915 -3.4915 -1.9350 -1.9350 -1.4988 -1.4988 -0.8300 -0.8300 3.9143 3.9143 7.5241 7.5241 7.9248 7.9248 10.8847 10.8847 11.9697 11.9697 12.2620 12.2620 15.7476 15.7476 20.8815 20.8815 22.0081 22.0081 23.8050 23.8050 k = 0.6184-0.0532 0.3975 ( 1244 PWs) bands (ev): -6.0658 -6.0658 -5.6360 -5.6360 -4.1782 -4.1782 -3.4886 -3.4886 -1.9338 -1.9338 -1.5079 -1.5079 -0.8057 -0.8057 3.8878 3.8878 7.4953 7.4953 7.8952 7.8952 10.9403 10.9403 11.9920 11.9920 12.2711 12.2711 15.7281 15.7281 20.8647 20.8647 22.0050 22.0050 23.7976 23.7976 k = 0.6217-0.0627 0.4029 ( 1246 PWs) bands (ev): -6.0684 -6.0684 -5.6293 -5.6293 -4.1818 -4.1818 -3.4861 -3.4861 -1.9331 -1.9331 -1.5188 -1.5188 -0.7802 -0.7802 3.8659 3.8659 7.4683 7.4683 7.8674 7.8674 10.9950 10.9950 12.0130 12.0130 12.2773 12.2773 15.7083 15.7083 20.8373 20.8373 22.0099 22.0099 23.7952 23.7952 k = 0.6250-0.0722 0.4082 ( 1250 PWs) bands (ev): -6.0713 -6.0713 -5.6223 -5.6223 -4.1864 -4.1864 -3.4840 -3.4840 -1.9327 -1.9327 -1.5313 -1.5313 -0.7539 -0.7539 3.8487 3.8487 7.4431 7.4431 7.8416 7.8416 11.0485 11.0485 12.0329 12.0329 12.2805 12.2805 15.6881 15.6881 20.7990 20.7990 22.0236 22.0236 23.7973 23.7973 k = 0.6250-0.0722 0.4082 ( 1250 PWs) bands (ev): -6.0713 -6.0713 -5.6223 -5.6223 -4.1864 -4.1864 -3.4840 -3.4840 -1.9327 -1.9327 -1.5313 -1.5313 -0.7539 -0.7539 3.8487 3.8487 7.4431 7.4431 7.8416 7.8416 11.0485 11.0485 12.0329 12.0329 12.2805 12.2805 15.6881 15.6881 20.7990 20.7990 22.0236 22.0236 23.7973 23.7973 k = 0.6193-0.0689 0.4175 ( 1248 PWs) bands (ev): -6.0710 -6.0710 -5.6229 -5.6229 -4.1860 -4.1860 -3.4839 -3.4839 -1.9325 -1.9325 -1.5306 -1.5306 -0.7547 -0.7547 3.8480 3.8480 7.4319 7.4319 7.8553 7.8553 11.0429 11.0429 12.0326 12.0326 12.2838 12.2838 15.6888 15.6888 20.8007 20.8007 22.0230 22.0230 23.7936 23.7936 k = 0.6136-0.0656 0.4268 ( 1244 PWs) bands (ev): -6.0698 -6.0698 -5.6248 -5.6248 -4.1847 -4.1847 -3.4836 -3.4836 -1.9320 -1.9320 -1.5286 -1.5286 -0.7570 -0.7570 3.8459 3.8459 7.4023 7.4023 7.8926 7.8926 11.0263 11.0263 12.0320 12.0320 12.2933 12.2933 15.6907 15.6907 20.8060 20.8060 22.0213 22.0213 23.7827 23.7827 k = 0.6080-0.0623 0.4361 ( 1244 PWs) bands (ev): -6.0680 -6.0680 -5.6279 -5.6279 -4.1827 -4.1827 -3.4832 -3.4832 -1.9313 -1.9313 -1.5253 -1.5253 -0.7610 -0.7610 3.8425 3.8425 7.3616 7.3616 7.9461 7.9461 10.9993 10.9993 12.0311 12.0311 12.3083 12.3083 15.6939 15.6939 20.8147 20.8147 22.0184 22.0184 23.7648 23.7648 k = 0.6023-0.0590 0.4454 ( 1244 PWs) bands (ev): -6.0654 -6.0654 -5.6322 -5.6322 -4.1800 -4.1800 -3.4827 -3.4827 -1.9302 -1.9302 -1.5206 -1.5206 -0.7665 -0.7665 3.8378 3.8378 7.3157 7.3157 8.0099 8.0099 10.9626 10.9626 12.0302 12.0302 12.3278 12.3278 15.6983 15.6983 20.8268 20.8268 22.0145 22.0145 23.7401 23.7401 k = 0.5966-0.0558 0.4546 ( 1244 PWs) bands (ev): -6.0622 -6.0622 -5.6376 -5.6376 -4.1766 -4.1766 -3.4820 -3.4820 -1.9290 -1.9290 -1.5146 -1.5146 -0.7735 -0.7735 3.8318 3.8318 7.2679 7.2679 8.0805 8.0805 10.9174 10.9174 12.0294 12.0294 12.3507 12.3507 15.7038 15.7038 20.8421 20.8421 22.0098 22.0098 23.7093 23.7093 k = 0.5909-0.0525 0.4639 ( 1248 PWs) bands (ev): -6.0583 -6.0583 -5.6441 -5.6441 -4.1726 -4.1726 -3.4812 -3.4812 -1.9275 -1.9275 -1.5072 -1.5072 -0.7821 -0.7821 3.8248 3.8248 7.2204 7.2204 8.1557 8.1557 10.8645 10.8645 12.0289 12.0289 12.3758 12.3758 15.7104 15.7104 20.8604 20.8604 22.0046 22.0046 23.6727 23.6727 k = 0.5852-0.0492 0.4732 ( 1242 PWs) bands (ev): -6.0537 -6.0537 -5.6514 -5.6514 -4.1681 -4.1681 -3.4802 -3.4802 -1.9258 -1.9258 -1.4984 -1.4984 -0.7921 -0.7921 3.8167 3.8167 7.1742 7.1742 8.2345 8.2345 10.8052 10.8052 12.0287 12.0287 12.4024 12.4024 15.7179 15.7179 20.8816 20.8816 21.9990 21.9990 23.6311 23.6311 k = 0.5795-0.0459 0.4825 ( 1242 PWs) bands (ev): -6.0487 -6.0487 -5.6596 -5.6596 -4.1631 -4.1631 -3.4792 -3.4792 -1.9240 -1.9240 -1.4883 -1.4883 -0.8036 -0.8036 3.8078 3.8078 7.1302 7.1302 8.3158 8.3158 10.7402 10.7402 12.0288 12.0288 12.4294 12.4294 15.7263 15.7263 20.9053 20.9053 21.9935 21.9935 23.5851 23.5851 k = 0.5739-0.0426 0.4918 ( 1250 PWs) bands (ev): -6.0431 -6.0431 -5.6684 -5.6684 -4.1578 -4.1578 -3.4781 -3.4781 -1.9221 -1.9221 -1.4768 -1.4768 -0.8166 -0.8166 3.7981 3.7981 7.0887 7.0887 8.3991 8.3991 10.6704 10.6704 12.0292 12.0292 12.4563 12.4563 15.7353 15.7353 20.9312 20.9312 21.9882 21.9882 23.5352 23.5352 k = 0.5682-0.0394 0.5010 ( 1251 PWs) bands (ev): -6.0371 -6.0371 -5.6777 -5.6777 -4.1523 -4.1523 -3.4770 -3.4770 -1.9201 -1.9201 -1.4640 -1.4640 -0.8309 -0.8309 3.7879 3.7879 7.0500 7.0500 8.4841 8.4841 10.5966 10.5966 12.0299 12.0299 12.4824 12.4824 15.7447 15.7447 20.9591 20.9591 21.9835 21.9835 23.4824 23.4824 k = 0.5625-0.0361 0.5103 ( 1251 PWs) bands (ev): -6.0307 -6.0307 -5.6874 -5.6874 -4.1467 -4.1467 -3.4758 -3.4758 -1.9182 -1.9182 -1.4500 -1.4500 -0.8465 -0.8465 3.7773 3.7773 7.0144 7.0144 8.5703 8.5703 10.5194 10.5194 12.0307 12.0307 12.5074 12.5074 15.7546 15.7546 20.9885 20.9885 21.9796 21.9796 23.4272 23.4272 k = 0.5568-0.0328 0.5196 ( 1243 PWs) bands (ev): -6.0241 -6.0241 -5.6973 -5.6973 -4.1410 -4.1410 -3.4746 -3.4746 -1.9163 -1.9163 -1.4347 -1.4347 -0.8632 -0.8632 3.7665 3.7665 6.9819 6.9819 8.6574 8.6574 10.4395 10.4395 12.0318 12.0318 12.5308 12.5308 15.7646 15.7646 21.0191 21.0191 21.9767 21.9767 23.3705 23.3705 k = 0.5511-0.0295 0.5289 ( 1239 PWs) bands (ev): -6.0174 -6.0174 -5.7072 -5.7072 -4.1355 -4.1355 -3.4734 -3.4734 -1.9144 -1.9144 -1.4183 -1.4183 -0.8810 -0.8810 3.7557 3.7557 6.9527 6.9527 8.7452 8.7452 10.3573 10.3573 12.0330 12.0330 12.5524 12.5524 15.7745 15.7745 21.0502 21.0502 21.9750 21.9750 23.3132 23.3132 k = 0.5455-0.0262 0.5381 ( 1236 PWs) bands (ev): -6.0107 -6.0107 -5.7169 -5.7169 -4.1301 -4.1301 -3.4723 -3.4723 -1.9127 -1.9127 -1.4009 -1.4009 -0.8997 -0.8997 3.7452 3.7452 6.9267 6.9267 8.8335 8.8335 10.2732 10.2732 12.0342 12.0342 12.5720 12.5720 15.7842 15.7842 21.0815 21.0815 21.9744 21.9744 23.2562 23.2562 k = 0.5398-0.0230 0.5474 ( 1236 PWs) bands (ev): -6.0041 -6.0041 -5.7262 -5.7262 -4.1251 -4.1251 -3.4713 -3.4713 -1.9111 -1.9111 -1.3829 -1.3829 -0.9190 -0.9190 3.7351 3.7351 6.9039 6.9039 8.9219 8.9219 10.1879 10.1879 12.0355 12.0355 12.5894 12.5894 15.7935 15.7935 21.1124 21.1124 21.9748 21.9748 23.2008 23.2008 k = 0.5341-0.0197 0.5567 ( 1232 PWs) bands (ev): -5.9979 -5.9979 -5.7348 -5.7348 -4.1204 -4.1204 -3.4704 -3.4704 -1.9096 -1.9096 -1.3644 -1.3644 -0.9386 -0.9386 3.7257 3.7257 6.8844 6.8844 9.0102 9.0102 10.1018 10.1018 12.0368 12.0368 12.6045 12.6045 15.8021 15.8021 21.1422 21.1422 21.9759 21.9759 23.1481 23.1481 k = 0.5284-0.0164 0.5660 ( 1232 PWs) bands (ev): -5.9922 -5.9922 -5.7426 -5.7426 -4.1163 -4.1163 -3.4695 -3.4695 -1.9084 -1.9084 -1.3459 -1.3459 -0.9580 -0.9580 3.7172 3.7172 6.8681 6.8681 9.0981 9.0981 10.0153 10.0153 12.0380 12.0380 12.6172 12.6172 15.8099 15.8099 21.1704 21.1704 21.9774 21.9774 23.0996 23.0996 k = 0.5227-0.0131 0.5753 ( 1234 PWs) bands (ev): -5.9873 -5.9873 -5.7494 -5.7494 -4.1127 -4.1127 -3.4688 -3.4688 -1.9073 -1.9073 -1.3280 -1.3280 -0.9766 -0.9766 3.7098 3.7098 6.8549 6.8549 9.1849 9.1849 9.9293 9.9293 12.0391 12.0391 12.6276 12.6276 15.8167 15.8167 21.1961 21.1961 21.9786 21.9786 23.0569 23.0569 k = 0.5170-0.0098 0.5845 ( 1232 PWs) bands (ev): -5.9833 -5.9833 -5.7548 -5.7548 -4.1098 -4.1098 -3.4683 -3.4683 -1.9065 -1.9065 -1.3117 -1.3117 -0.9936 -0.9936 3.7037 3.7037 6.8448 6.8448 9.2697 9.2697 9.8448 9.8448 12.0400 12.0400 12.6356 12.6356 15.8222 15.8222 21.2185 21.2185 21.9791 21.9791 23.0216 23.0216 k = 0.5114-0.0066 0.5938 ( 1232 PWs) bands (ev): -5.9803 -5.9803 -5.7588 -5.7588 -4.1077 -4.1077 -3.4679 -3.4679 -1.9059 -1.9059 -1.2982 -1.2982 -1.0076 -1.0076 3.6991 3.6991 6.8376 6.8376 9.3501 9.3501 9.7645 9.7645 12.0407 12.0407 12.6412 12.6412 15.8263 15.8263 21.2364 21.2364 21.9787 21.9787 22.9952 22.9952 k = 0.5057-0.0033 0.6031 ( 1232 PWs) bands (ev): -5.9785 -5.9785 -5.7611 -5.7611 -4.1063 -4.1063 -3.4676 -3.4676 -1.9055 -1.9055 -1.2890 -1.2890 -1.0170 -1.0170 3.6962 3.6962 6.8334 6.8334 9.4187 9.4187 9.6958 9.6958 12.0412 12.0412 12.6445 12.6445 15.8288 15.8288 21.2483 21.2483 21.9777 21.9777 22.9789 22.9789 k = 0.5000-0.0000 0.6124 ( 1232 PWs) bands (ev): -5.9779 -5.9779 -5.7619 -5.7619 -4.1059 -4.1059 -3.4675 -3.4675 -1.9054 -1.9054 -1.2857 -1.2857 -1.0205 -1.0205 3.6952 3.6952 6.8320 6.8320 9.4507 9.4507 9.6637 9.6637 12.0414 12.0414 12.6456 12.6456 15.8297 15.8297 21.2527 21.2527 21.9770 21.9770 22.9735 22.9735 k = 0.5000-0.0000 0.6124 ( 1232 PWs) bands (ev): -5.9779 -5.9779 -5.7619 -5.7619 -4.1059 -4.1059 -3.4675 -3.4675 -1.9054 -1.9054 -1.2857 -1.2857 -1.0205 -1.0205 3.6952 3.6952 6.8320 6.8320 9.4507 9.4507 9.6637 9.6637 12.0414 12.0414 12.6456 12.6456 15.8297 15.8297 21.2527 21.2527 21.9770 21.9770 22.9735 22.9735 k = 0.5000 0.0066 0.6031 ( 1232 PWs) bands (ev): -5.9779 -5.9779 -5.7620 -5.7620 -4.1061 -4.1061 -3.4677 -3.4677 -1.9055 -1.9055 -1.2863 -1.2863 -1.0206 -1.0206 3.6973 3.6973 6.8342 6.8342 9.4503 9.4503 9.6633 9.6633 12.0407 12.0407 12.6438 12.6438 15.8300 15.8300 21.2502 21.2502 21.9779 21.9779 22.9779 22.9779 k = 0.5000 0.0131 0.5938 ( 1232 PWs) bands (ev): -5.9779 -5.9779 -5.7621 -5.7621 -4.1068 -4.1068 -3.4684 -3.4684 -1.9061 -1.9061 -1.2880 -1.2880 -1.0209 -1.0209 3.7037 3.7037 6.8406 6.8406 9.4489 9.4489 9.6620 9.6620 12.0386 12.0386 12.6384 12.6384 15.8309 15.8309 21.2426 21.2426 21.9805 21.9805 22.9912 22.9912 k = 0.5000 0.0197 0.5845 ( 1234 PWs) bands (ev): -5.9780 -5.9780 -5.7623 -5.7623 -4.1079 -4.1079 -3.4694 -3.4694 -1.9070 -1.9070 -1.2910 -1.2910 -1.0214 -1.0214 3.7143 3.7143 6.8512 6.8512 9.4465 9.4465 9.6599 9.6599 12.0352 12.0352 12.6293 12.6293 15.8324 15.8324 21.2303 21.2303 21.9848 21.9848 23.0132 23.0132 k = 0.5000 0.0262 0.5753 ( 1234 PWs) bands (ev): -5.9783 -5.9783 -5.7623 -5.7623 -4.1095 -4.1095 -3.4709 -3.4709 -1.9082 -1.9082 -1.2954 -1.2954 -1.0219 -1.0219 3.7290 3.7290 6.8660 6.8660 9.4430 9.4430 9.6570 9.6570 12.0304 12.0304 12.6166 12.6166 15.8346 15.8346 21.2137 21.2137 21.9906 21.9906 23.0435 23.0435 k = 0.5000 0.0328 0.5660 ( 1238 PWs) bands (ev): -5.9790 -5.9790 -5.7620 -5.7620 -4.1116 -4.1116 -3.4728 -3.4728 -1.9097 -1.9097 -1.3012 -1.3012 -1.0222 -1.0222 3.7480 3.7480 6.8849 6.8849 9.4385 9.4385 9.6535 9.6535 12.0242 12.0242 12.6004 12.6004 15.8374 15.8374 21.1932 21.1932 21.9976 21.9976 23.0818 23.0818 k = 0.5000 0.0394 0.5567 ( 1236 PWs) bands (ev): -5.9803 -5.9803 -5.7610 -5.7610 -4.1140 -4.1140 -3.4751 -3.4751 -1.9116 -1.9116 -1.3085 -1.3085 -1.0223 -1.0223 3.7710 3.7710 6.9079 6.9079 9.4327 9.4327 9.6496 9.6496 12.0166 12.0166 12.5806 12.5806 15.8409 15.8409 21.1694 21.1694 22.0057 22.0057 23.1276 23.1276 k = 0.5000 0.0459 0.5474 ( 1234 PWs) bands (ev): -5.9825 -5.9825 -5.7593 -5.7593 -4.1170 -4.1170 -3.4779 -3.4779 -1.9138 -1.9138 -1.3175 -1.3175 -1.0220 -1.0220 3.7981 3.7981 6.9349 6.9349 9.4256 9.4256 9.6453 9.6453 12.0076 12.0076 12.5573 12.5573 15.8450 15.8450 21.1427 21.1427 22.0146 22.0146 23.1803 23.1803 k = 0.5000 0.0525 0.5381 ( 1234 PWs) bands (ev): -5.9857 -5.9857 -5.7563 -5.7563 -4.1204 -4.1204 -3.4810 -3.4810 -1.9164 -1.9164 -1.3283 -1.3283 -1.0211 -1.0211 3.8291 3.8291 6.9656 6.9656 9.4171 9.4171 9.6408 9.6408 11.9971 11.9971 12.5306 12.5306 15.8499 15.8499 21.1137 21.1137 22.0242 22.0242 23.2393 23.2393 k = 0.5000 0.0590 0.5289 ( 1236 PWs) bands (ev): -5.9901 -5.9901 -5.7521 -5.7521 -4.1243 -4.1243 -3.4845 -3.4845 -1.9192 -1.9192 -1.3409 -1.3409 -1.0195 -1.0195 3.8641 3.8641 7.0001 7.0001 9.4072 9.4072 9.6362 9.6362 11.9851 11.9851 12.5005 12.5005 15.8555 15.8555 21.0828 21.0828 22.0343 22.0343 23.3041 23.3041 k = 0.5000 0.0656 0.5196 ( 1236 PWs) bands (ev): -5.9959 -5.9959 -5.7462 -5.7462 -4.1286 -4.1286 -3.4885 -3.4885 -1.9223 -1.9223 -1.3553 -1.3553 -1.0173 -1.0173 3.9029 3.9029 7.0382 7.0382 9.3957 9.3957 9.6316 9.6316 11.9717 11.9717 12.4671 12.4671 15.8618 15.8618 21.0504 21.0504 22.0449 22.0449 23.3738 23.3738 k = 0.5000 0.0722 0.5103 ( 1234 PWs) bands (ev): -6.0032 -6.0032 -5.7386 -5.7386 -4.1334 -4.1334 -3.4929 -3.4929 -1.9257 -1.9257 -1.3713 -1.3713 -1.0143 -1.0143 3.9453 3.9453 7.0797 7.0797 9.3827 9.3827 9.6271 9.6271 11.9567 11.9567 12.4305 12.4305 15.8690 15.8690 21.0168 21.0168 22.0559 22.0559 23.4479 23.4479 k = 0.5000 0.0787 0.5010 ( 1238 PWs) bands (ev): -6.0120 -6.0120 -5.7291 -5.7291 -4.1386 -4.1386 -3.4976 -3.4976 -1.9294 -1.9294 -1.3890 -1.3890 -1.0106 -1.0106 3.9914 3.9914 7.1245 7.1245 9.3682 9.3682 9.6227 9.6227 11.9402 11.9402 12.3908 12.3908 15.8769 15.8769 20.9823 20.9823 22.0671 22.0671 23.5254 23.5254 k = 0.5000 0.0853 0.4918 ( 1238 PWs) bands (ev): -6.0223 -6.0223 -5.7179 -5.7179 -4.1444 -4.1444 -3.5028 -3.5028 -1.9334 -1.9334 -1.4081 -1.4081 -1.0062 -1.0062 4.0409 4.0409 7.1723 7.1723 9.3523 9.3523 9.6185 9.6185 11.9221 11.9221 12.3482 12.3482 15.8856 15.8856 20.9470 20.9470 22.0785 22.0785 23.6055 23.6055 k = 0.5000 0.0919 0.4825 ( 1238 PWs) bands (ev): -6.0339 -6.0339 -5.7048 -5.7048 -4.1506 -4.1506 -3.5083 -3.5083 -1.9378 -1.9378 -1.4285 -1.4285 -1.0012 -1.0012 4.0937 4.0937 7.2230 7.2230 9.3351 9.3351 9.6143 9.6143 11.9024 11.9024 12.3029 12.3029 15.8951 15.8951 20.9113 20.9113 22.0899 22.0899 23.6868 23.6868 k = 0.5000 0.0984 0.4732 ( 1238 PWs) bands (ev): -6.0467 -6.0467 -5.6900 -5.6900 -4.1573 -4.1573 -3.5142 -3.5142 -1.9424 -1.9424 -1.4499 -1.4499 -0.9956 -0.9956 4.1497 4.1497 7.2765 7.2765 9.3167 9.3167 9.6101 9.6101 11.8811 11.8811 12.2549 12.2549 15.9053 15.9053 20.8752 20.8752 22.1014 22.1014 23.7680 23.7680 k = 0.5000 0.1050 0.4639 ( 1238 PWs) bands (ev): -6.0606 -6.0606 -5.6736 -5.6736 -4.1646 -4.1646 -3.5205 -3.5205 -1.9474 -1.9474 -1.4722 -1.4722 -0.9897 -0.9897 4.2088 4.2088 7.3324 7.3324 9.2974 9.2974 9.6058 9.6058 11.8581 11.8581 12.2047 12.2047 15.9163 15.9163 20.8390 20.8390 22.1127 22.1127 23.8472 23.8472 k = 0.5000 0.1115 0.4546 ( 1240 PWs) bands (ev): -6.0754 -6.0754 -5.6556 -5.6556 -4.1724 -4.1724 -3.5271 -3.5271 -1.9529 -1.9529 -1.4950 -1.4950 -0.9833 -0.9833 4.2706 4.2706 7.3905 7.3905 9.2772 9.2772 9.6013 9.6013 11.8334 11.8334 12.1523 12.1523 15.9280 15.9280 20.8026 20.8026 22.1239 22.1239 23.9223 23.9223 k = 0.5000 0.1181 0.4454 ( 1240 PWs) bands (ev): -6.0910 -6.0910 -5.6361 -5.6361 -4.1807 -4.1807 -3.5341 -3.5341 -1.9587 -1.9587 -1.5182 -1.5182 -0.9767 -0.9767 4.3351 4.3351 7.4507 7.4507 9.2564 9.2564 9.5965 9.5965 11.8070 11.8070 12.0981 12.0981 15.9404 15.9404 20.7662 20.7662 22.1348 22.1348 23.9907 23.9907 k = 0.5000 0.1247 0.4361 ( 1242 PWs) bands (ev): -6.1071 -6.1071 -5.6153 -5.6153 -4.1896 -4.1896 -3.5414 -3.5414 -1.9650 -1.9650 -1.5415 -1.5415 -0.9699 -0.9699 4.4020 4.4020 7.5126 7.5126 9.2352 9.2352 9.5913 9.5913 11.7787 11.7787 12.0425 12.0425 15.9534 15.9534 20.7300 20.7300 22.1453 22.1453 24.0498 24.0498 k = 0.5000 0.1312 0.4268 ( 1238 PWs) bands (ev): -6.1237 -6.1237 -5.5932 -5.5932 -4.1991 -4.1991 -3.5490 -3.5490 -1.9719 -1.9719 -1.5646 -1.5646 -0.9630 -0.9630 4.4712 4.4712 7.5760 7.5760 9.2138 9.2138 9.5855 9.5855 11.7487 11.7487 11.9857 11.9857 15.9670 15.9670 20.6939 20.6939 22.1553 22.1553 24.0977 24.0977 k = 0.5000 0.1378 0.4175 ( 1244 PWs) bands (ev): -6.1407 -6.1407 -5.5698 -5.5698 -4.2093 -4.2093 -3.5568 -3.5568 -1.9793 -1.9793 -1.5873 -1.5873 -0.9560 -0.9560 4.5424 4.5424 7.6406 7.6406 9.1923 9.1923 9.5791 9.5791 11.7166 11.7166 11.9283 11.9283 15.9811 15.9811 20.6581 20.6581 22.1647 22.1647 24.1333 24.1333 k = 0.5000 0.1443 0.4082 ( 1244 PWs) bands (ev): -6.1578 -6.1578 -5.5454 -5.5454 -4.2200 -4.2200 -3.5649 -3.5649 -1.9873 -1.9873 -1.6094 -1.6094 -0.9490 -0.9490 4.6153 4.6153 7.7061 7.7061 9.1710 9.1710 9.5718 9.5718 11.6824 11.6824 11.8707 11.8707 15.9956 15.9956 20.6226 20.6226 22.1735 22.1735 24.1573 24.1573 k = 0.5000 0.1509 0.3990 ( 1244 PWs) bands (ev): -6.1749 -6.1749 -5.5199 -5.5199 -4.2315 -4.2315 -3.5733 -3.5733 -1.9960 -1.9960 -1.6306 -1.6306 -0.9421 -0.9421 4.6897 4.6897 7.7722 7.7722 9.1501 9.1501 9.5637 9.5637 11.6459 11.6459 11.8135 11.8135 16.0104 16.0104 20.5877 20.5877 22.1815 22.1815 24.1714 24.1714 k = 0.5000 0.1575 0.3897 ( 1244 PWs) bands (ev): -6.1920 -6.1920 -5.4935 -5.4935 -4.2436 -4.2436 -3.5817 -3.5817 -2.0053 -2.0053 -1.6507 -1.6507 -0.9353 -0.9353 4.7653 4.7653 7.8385 7.8385 9.1298 9.1298 9.5547 9.5547 11.6069 11.6069 11.7574 11.7574 16.0255 16.0255 20.5532 20.5532 22.1887 22.1887 24.1779 24.1779 k = 0.5000 0.1640 0.3804 ( 1242 PWs) bands (ev): -6.2090 -6.2090 -5.4662 -5.4662 -4.2565 -4.2565 -3.5904 -3.5904 -2.0153 -2.0153 -1.6697 -1.6697 -0.9287 -0.9287 4.8419 4.8419 7.9046 7.9046 9.1104 9.1104 9.5445 9.5445 11.5653 11.5653 11.7031 11.7031 16.0407 16.0407 20.5194 20.5194 22.1951 22.1951 24.1790 24.1790 k = 0.5000 0.1706 0.3711 ( 1236 PWs) bands (ev): -6.2256 -6.2256 -5.4382 -5.4382 -4.2701 -4.2701 -3.5991 -3.5991 -2.0259 -2.0259 -1.6873 -1.6873 -0.9222 -0.9222 4.9189 4.9189 7.9700 7.9700 9.0922 9.0922 9.5333 9.5333 11.5208 11.5208 11.6510 11.6510 16.0560 16.0560 20.4864 20.4864 22.2005 22.2005 24.1768 24.1768 k = 0.5000 0.1771 0.3619 ( 1236 PWs) bands (ev): -6.2419 -6.2419 -5.4094 -5.4094 -4.2845 -4.2845 -3.6078 -3.6078 -2.0372 -2.0372 -1.7035 -1.7035 -0.9159 -0.9159 4.9963 4.9963 8.0344 8.0344 9.0753 9.0753 9.5209 9.5209 11.4739 11.4739 11.6015 11.6015 16.0712 16.0712 20.4541 20.4541 22.2050 22.2050 24.1727 24.1727 k = 0.5000 0.1837 0.3526 ( 1238 PWs) bands (ev): -6.2578 -6.2578 -5.3801 -5.3801 -4.2997 -4.2997 -3.6165 -3.6165 -2.0489 -2.0489 -1.7183 -1.7183 -0.9099 -0.9099 5.0734 5.0734 8.0971 8.0971 9.0602 9.0602 9.5075 9.5075 11.4250 11.4250 11.5545 11.5545 16.0862 16.0862 20.4228 20.4228 22.2085 22.2085 24.1679 24.1679 k = 0.5000 0.1903 0.3433 ( 1238 PWs) bands (ev): -6.2731 -6.2731 -5.3503 -5.3503 -4.3156 -4.3156 -3.6250 -3.6250 -2.0610 -2.0610 -1.7316 -1.7316 -0.9042 -0.9042 5.1501 5.1501 8.1575 8.1575 9.0470 9.0470 9.4930 9.4930 11.3752 11.3752 11.5097 11.5097 16.1010 16.1010 20.3926 20.3926 22.2112 22.2112 24.1631 24.1631 k = 0.5000 0.1968 0.3340 ( 1236 PWs) bands (ev): -6.2877 -6.2877 -5.3202 -5.3202 -4.3322 -4.3322 -3.6335 -3.6335 -2.0732 -2.0732 -1.7434 -1.7434 -0.8988 -0.8988 5.2257 5.2257 8.2150 8.2150 9.0363 9.0363 9.4776 9.4776 11.3252 11.3252 11.4667 11.4667 16.1154 16.1154 20.3635 20.3635 22.2130 22.2130 24.1589 24.1589 k = 0.5000 0.2034 0.3247 ( 1234 PWs) bands (ev): -6.3017 -6.3017 -5.2899 -5.2899 -4.3496 -4.3496 -3.6417 -3.6417 -2.0856 -2.0856 -1.7539 -1.7539 -0.8937 -0.8937 5.2999 5.2999 8.2688 8.2688 9.0282 9.0282 9.4615 9.4615 11.2759 11.2759 11.4254 11.4254 16.1294 16.1294 20.3358 20.3358 22.2141 22.2141 24.1556 24.1556 k = 0.5000 0.2099 0.3155 ( 1236 PWs) bands (ev): -6.3149 -6.3149 -5.2595 -5.2595 -4.3676 -4.3676 -3.6496 -3.6496 -2.0978 -2.0978 -1.7632 -1.7632 -0.8889 -0.8889 5.3721 5.3721 8.3183 8.3183 9.0231 9.0231 9.4450 9.4450 11.2280 11.2280 11.3855 11.3855 16.1427 16.1427 20.3094 20.3094 22.2144 22.2144 24.1534 24.1534 k = 0.5000 0.2165 0.3062 ( 1238 PWs) bands (ev): -6.3273 -6.3273 -5.2292 -5.2292 -4.3862 -4.3862 -3.6571 -3.6571 -2.1097 -2.1097 -1.7713 -1.7713 -0.8845 -0.8845 5.4419 5.4419 8.3628 8.3628 9.0211 9.0211 9.4284 9.4284 11.1821 11.1821 11.3473 11.3473 16.1554 16.1554 20.2846 20.2846 22.2142 22.2142 24.1522 24.1522 k = 0.5000 0.2231 0.2969 ( 1236 PWs) bands (ev): -6.3388 -6.3388 -5.1992 -5.1992 -4.4052 -4.4052 -3.6642 -3.6642 -2.1211 -2.1211 -1.7783 -1.7783 -0.8804 -0.8804 5.5086 5.5086 8.4017 8.4017 9.0223 9.0223 9.4123 9.4123 11.1385 11.1385 11.3109 11.3109 16.1674 16.1674 20.2615 20.2615 22.2135 22.2135 24.1521 24.1521 k = 0.5000 0.2296 0.2876 ( 1236 PWs) bands (ev): -6.3494 -6.3494 -5.1698 -5.1698 -4.4245 -4.4245 -3.6708 -3.6708 -2.1319 -2.1319 -1.7843 -1.7843 -0.8767 -0.8767 5.5716 5.5716 8.4346 8.4346 9.0263 9.0263 9.3973 9.3973 11.0978 11.0978 11.2765 11.2765 16.1785 16.1785 20.2402 20.2402 22.2124 22.2124 24.1529 24.1529 k = 0.5000 0.2362 0.2784 ( 1230 PWs) bands (ev): -6.3589 -6.3589 -5.1413 -5.1413 -4.4439 -4.4439 -3.6769 -3.6769 -2.1420 -2.1420 -1.7894 -1.7894 -0.8733 -0.8733 5.6304 5.6304 8.4616 8.4616 9.0325 9.0325 9.3838 9.3838 11.0601 11.0601 11.2444 11.2444 16.1886 16.1886 20.2208 20.2208 22.2110 22.2110 24.1544 24.1544 k = 0.5000 0.2427 0.2691 ( 1228 PWs) bands (ev): -6.3675 -6.3675 -5.1139 -5.1139 -4.4630 -4.4630 -3.6824 -3.6824 -2.1511 -2.1511 -1.7938 -1.7938 -0.8703 -0.8703 5.6843 5.6843 8.4830 8.4830 9.0399 9.0399 9.3726 9.3726 11.0258 11.0258 11.2151 11.2151 16.1978 16.1978 20.2034 20.2034 22.2095 22.2095 24.1564 24.1564 k = 0.5000 0.2493 0.2598 ( 1234 PWs) bands (ev): -6.3750 -6.3750 -5.0882 -5.0882 -4.4815 -4.4815 -3.6873 -3.6873 -2.1592 -2.1592 -1.7974 -1.7974 -0.8678 -0.8678 5.7327 5.7327 8.4993 8.4993 9.0476 9.0476 9.3641 9.3641 10.9951 10.9951 11.1888 11.1888 16.2058 16.2058 20.1881 20.1881 22.2079 22.2079 24.1587 24.1587 k = 0.5000 0.2559 0.2505 ( 1234 PWs) bands (ev): -6.3813 -6.3813 -5.0647 -5.0647 -4.4988 -4.4988 -3.6914 -3.6914 -2.1662 -2.1662 -1.8004 -1.8004 -0.8656 -0.8656 5.7749 5.7749 8.5114 8.5114 9.0544 9.0544 9.3584 9.3584 10.9683 10.9683 11.1660 11.1660 16.2127 16.2127 20.1750 20.1750 22.2064 22.2064 24.1611 24.1611 k = 0.5000 0.2624 0.2412 ( 1236 PWs) bands (ev): -6.3866 -6.3866 -5.0439 -5.0439 -4.5145 -4.5145 -3.6949 -3.6949 -2.1720 -2.1720 -1.8028 -1.8028 -0.8638 -0.8638 5.8104 5.8104 8.5199 8.5199 9.0599 9.0599 9.3553 9.3553 10.9458 10.9458 11.1469 11.1469 16.2185 16.2185 20.1642 20.1642 22.2051 22.2051 24.1634 24.1634 k = 0.5000 0.2690 0.2320 ( 1234 PWs) bands (ev): -6.3907 -6.3907 -5.0266 -5.0266 -4.5279 -4.5279 -3.6976 -3.6976 -2.1766 -2.1766 -1.8045 -1.8045 -0.8624 -0.8624 5.8386 5.8386 8.5256 8.5256 9.0637 9.0637 9.3544 9.3544 10.9278 10.9278 11.1318 11.1318 16.2230 16.2230 20.1557 20.1557 22.2040 22.2040 24.1653 24.1653 k = 0.5000 0.2756 0.2227 ( 1230 PWs) bands (ev): -6.3937 -6.3937 -5.0135 -5.0135 -4.5381 -4.5381 -3.6996 -3.6996 -2.1799 -2.1799 -1.8058 -1.8058 -0.8614 -0.8614 5.8590 5.8590 8.5293 8.5293 9.0661 9.0661 9.3546 9.3546 10.9148 10.9148 11.1208 11.1208 16.2263 16.2263 20.1496 20.1496 22.2032 22.2032 24.1669 24.1669 k = 0.5000 0.2821 0.2134 ( 1224 PWs) bands (ev): -6.3954 -6.3954 -5.0053 -5.0053 -4.5446 -4.5446 -3.7007 -3.7007 -2.1819 -2.1819 -1.8065 -1.8065 -0.8608 -0.8608 5.8715 5.8715 8.5313 8.5313 9.0673 9.0673 9.3551 9.3551 10.9068 10.9068 11.1142 11.1142 16.2283 16.2283 20.1460 20.1460 22.2027 22.2027 24.1679 24.1679 k = 0.5000 0.2887 0.2041 ( 1224 PWs) bands (ev): -6.3960 -6.3960 -5.0025 -5.0025 -4.5468 -4.5468 -3.7011 -3.7011 -2.1826 -2.1826 -1.8068 -1.8068 -0.8606 -0.8606 5.8757 5.8757 8.5319 8.5319 9.0676 9.0676 9.3554 9.3554 10.9041 10.9041 11.1120 11.1120 16.2289 16.2289 20.1447 20.1447 22.2025 22.2025 24.1682 24.1682 k = 0.5000 0.2887 0.2041 ( 1224 PWs) bands (ev): -6.3960 -6.3960 -5.0025 -5.0025 -4.5468 -4.5468 -3.7011 -3.7011 -2.1826 -2.1826 -1.8068 -1.8068 -0.8606 -0.8606 5.8757 5.8757 8.5319 8.5319 9.0676 9.0676 9.3554 9.3554 10.9041 10.9041 11.1120 11.1120 16.2289 16.2289 20.1447 20.1447 22.2025 22.2025 24.1682 24.1682 k = 0.4967 0.2868 0.2149 ( 1224 PWs) bands (ev): -6.3954 -6.3954 -5.0053 -5.0053 -4.5446 -4.5446 -3.7007 -3.7007 -2.1819 -2.1819 -1.8065 -1.8065 -0.8608 -0.8608 5.8715 5.8715 8.5313 8.5313 9.0673 9.0673 9.3551 9.3551 10.9068 10.9068 11.1143 11.1143 16.2283 16.2283 20.1460 20.1460 22.2027 22.2027 24.1679 24.1679 k = 0.4934 0.2849 0.2256 ( 1230 PWs) bands (ev): -6.3936 -6.3936 -5.0135 -5.0135 -4.5381 -4.5381 -3.6996 -3.6996 -2.1799 -2.1799 -1.8058 -1.8058 -0.8614 -0.8614 5.8590 5.8590 8.5293 8.5293 9.0660 9.0660 9.3546 9.3546 10.9148 10.9148 11.1209 11.1209 16.2263 16.2263 20.1497 20.1497 22.2032 22.2032 24.1669 24.1669 k = 0.4901 0.2830 0.2364 ( 1233 PWs) bands (ev): -6.3907 -6.3907 -5.0267 -5.0267 -4.5278 -4.5278 -3.6976 -3.6976 -2.1766 -2.1766 -1.8045 -1.8045 -0.8624 -0.8624 5.8384 5.8384 8.5256 8.5256 9.0636 9.0636 9.3545 9.3545 10.9280 10.9280 11.1319 11.1319 16.2230 16.2230 20.1558 20.1558 22.2040 22.2040 24.1653 24.1653 k = 0.4868 0.2811 0.2471 ( 1233 PWs) bands (ev): -6.3865 -6.3865 -5.0441 -5.0441 -4.5144 -4.5144 -3.6949 -3.6949 -2.1720 -2.1720 -1.8027 -1.8027 -0.8638 -0.8638 5.8100 5.8100 8.5200 8.5200 9.0591 9.0591 9.3559 9.3559 10.9459 10.9459 11.1471 11.1471 16.2185 16.2185 20.1643 20.1643 22.2051 22.2051 24.1634 24.1634 k = 0.4836 0.2792 0.2578 ( 1234 PWs) bands (ev): -6.3813 -6.3813 -5.0650 -5.0650 -4.4986 -4.4986 -3.6914 -3.6914 -2.1661 -2.1661 -1.8004 -1.8004 -0.8656 -0.8656 5.7743 5.7743 8.5119 8.5119 9.0519 9.0519 9.3603 9.3603 10.9684 10.9684 11.1664 11.1664 16.2126 16.2126 20.1752 20.1752 22.2065 22.2065 24.1611 24.1611 k = 0.4803 0.2773 0.2686 ( 1233 PWs) bands (ev): -6.3748 -6.3748 -5.0886 -5.0886 -4.4812 -4.4812 -3.6872 -3.6872 -2.1591 -2.1591 -1.7974 -1.7974 -0.8678 -0.8678 5.7319 5.7319 8.5010 8.5010 9.0410 9.0410 9.3690 9.3690 10.9948 10.9948 11.1897 11.1897 16.2057 16.2057 20.1884 20.1884 22.2080 22.2080 24.1587 24.1587 k = 0.4770 0.2754 0.2793 ( 1229 PWs) bands (ev): -6.3673 -6.3673 -5.1144 -5.1144 -4.4626 -4.4626 -3.6823 -3.6823 -2.1509 -2.1509 -1.7937 -1.7937 -0.8704 -0.8704 5.6833 5.6833 8.4871 8.4871 9.0256 9.0256 9.3833 9.3833 11.0247 11.0247 11.2166 11.2166 16.1976 16.1976 20.2037 20.2037 22.2096 22.2096 24.1563 24.1563 k = 0.4737 0.2735 0.2901 ( 1233 PWs) bands (ev): -6.3587 -6.3587 -5.1419 -5.1419 -4.4435 -4.4435 -3.6768 -3.6768 -2.1418 -2.1418 -1.7893 -1.7893 -0.8734 -0.8734 5.6291 5.6291 8.4700 8.4700 9.0054 9.0054 9.4038 9.4038 11.0574 11.0574 11.2471 11.2471 16.1883 16.1883 20.2212 20.2212 22.2112 22.2112 24.1543 24.1543 k = 0.4704 0.2716 0.3008 ( 1235 PWs) bands (ev): -6.3491 -6.3491 -5.1705 -5.1705 -4.4241 -4.4241 -3.6707 -3.6707 -2.1317 -2.1317 -1.7842 -1.7842 -0.8767 -0.8767 5.5700 5.5700 8.4496 8.4496 8.9805 8.9805 9.4304 9.4304 11.0924 11.0924 11.2809 11.2809 16.1781 16.1781 20.2407 20.2407 22.2126 22.2126 24.1528 24.1528 k = 0.4671 0.2697 0.3116 ( 1235 PWs) bands (ev): -6.3385 -6.3385 -5.1999 -5.1999 -4.4048 -4.4048 -3.6640 -3.6640 -2.1209 -2.1209 -1.7781 -1.7781 -0.8804 -0.8804 5.5066 5.5066 8.4262 8.4262 8.9513 8.9513 9.4629 9.4629 11.1292 11.1292 11.3178 11.3178 16.1669 16.1669 20.2620 20.2620 22.2139 22.2139 24.1519 24.1519 k = 0.4638 0.2678 0.3223 ( 1235 PWs) bands (ev): -6.3270 -6.3270 -5.2299 -5.2299 -4.3858 -4.3858 -3.6569 -3.6569 -2.1094 -2.1094 -1.7710 -1.7710 -0.8845 -0.8845 5.4396 5.4396 8.4000 8.4000 8.9183 8.9183 9.5006 9.5006 11.1672 11.1672 11.3576 11.3576 16.1548 16.1548 20.2851 20.2851 22.2150 22.2150 24.1519 24.1519 k = 0.4605 0.2659 0.3330 ( 1235 PWs) bands (ev): -6.3146 -6.3146 -5.2601 -5.2601 -4.3674 -4.3674 -3.6493 -3.6493 -2.0975 -2.0975 -1.7629 -1.7629 -0.8889 -0.8889 5.3694 5.3694 8.3712 8.3712 8.8822 8.8822 9.5429 9.5429 11.2060 11.2060 11.4000 11.4000 16.1419 16.1419 20.3099 20.3099 22.2157 22.2157 24.1529 24.1529 k = 0.4572 0.2640 0.3438 ( 1233 PWs) bands (ev): -6.3014 -6.3014 -5.2903 -5.2903 -4.3495 -4.3495 -3.6414 -3.6414 -2.0853 -2.0853 -1.7537 -1.7537 -0.8936 -0.8936 5.2968 5.2968 8.3402 8.3402 8.8435 8.8435 9.5891 9.5891 11.2452 11.2452 11.4446 11.4446 16.1283 16.1283 20.3361 20.3361 22.2160 22.2160 24.1550 24.1550 k = 0.4539 0.2621 0.3545 ( 1235 PWs) bands (ev): -6.2875 -6.2875 -5.3205 -5.3205 -4.3323 -4.3323 -3.6332 -3.6332 -2.0730 -2.0730 -1.7431 -1.7431 -0.8985 -0.8985 5.2223 5.2223 8.3071 8.3071 8.8027 8.8027 9.6386 9.6386 11.2845 11.2845 11.4911 11.4911 16.1140 16.1140 20.3637 20.3637 22.2158 22.2158 24.1580 24.1580 k = 0.4507 0.2602 0.3653 ( 1231 PWs) bands (ev): -6.2729 -6.2729 -5.3502 -5.3502 -4.3160 -4.3160 -3.6247 -3.6247 -2.0608 -2.0608 -1.7313 -1.7313 -0.9037 -0.9037 5.1464 5.1464 8.2723 8.2723 8.7601 8.7601 9.6909 9.6909 11.3237 11.3237 11.5390 11.5390 16.0991 16.0991 20.3924 20.3924 22.2152 22.2152 24.1620 24.1620 k = 0.4474 0.2583 0.3760 ( 1237 PWs) bands (ev): -6.2577 -6.2577 -5.3795 -5.3795 -4.3005 -4.3005 -3.6162 -3.6162 -2.0488 -2.0488 -1.7181 -1.7181 -0.9091 -0.9091 5.0695 5.0695 8.2361 8.2361 8.7163 8.7163 9.7455 9.7455 11.3626 11.3626 11.5879 11.5879 16.0836 16.0836 20.4221 20.4221 22.2139 22.2139 24.1667 24.1667 k = 0.4441 0.2564 0.3868 ( 1237 PWs) bands (ev): -6.2421 -6.2421 -5.4082 -5.4082 -4.2858 -4.2858 -3.6075 -3.6075 -2.0373 -2.0373 -1.7035 -1.7035 -0.9146 -0.9146 4.9921 4.9921 8.1987 8.1987 8.6714 8.6714 9.8020 9.8020 11.4012 11.4012 11.6374 11.6374 16.0677 16.0677 20.4527 20.4527 22.2121 22.2121 24.1717 24.1717 k = 0.4408 0.2545 0.3975 ( 1237 PWs) bands (ev): -6.2262 -6.2262 -5.4360 -5.4360 -4.2721 -4.2721 -3.5988 -3.5988 -2.0263 -2.0263 -1.6876 -1.6876 -0.9201 -0.9201 4.9147 4.9147 8.1604 8.1604 8.6259 8.6259 9.8600 9.8600 11.4393 11.4393 11.6870 11.6870 16.0515 16.0515 20.4840 20.4840 22.2096 22.2096 24.1764 24.1764 k = 0.4375 0.2526 0.4082 ( 1231 PWs) bands (ev): -6.2100 -6.2100 -5.4629 -5.4629 -4.2592 -4.2592 -3.5902 -3.5902 -2.0160 -2.0160 -1.6705 -1.6705 -0.9255 -0.9255 4.8377 4.8377 8.1213 8.1213 8.5799 8.5799 9.9192 9.9192 11.4769 11.4769 11.7364 11.7364 16.0349 16.0349 20.5159 20.5159 22.2065 22.2065 24.1802 24.1802 k = 0.4342 0.2507 0.4190 ( 1241 PWs) bands (ev): -6.1938 -6.1938 -5.4888 -5.4888 -4.2473 -4.2473 -3.5817 -3.5817 -2.0064 -2.0064 -1.6524 -1.6524 -0.9308 -0.9308 4.7614 4.7614 8.0817 8.0817 8.5337 8.5337 9.9793 9.9793 11.5139 11.5139 11.7850 11.7850 16.0180 16.0180 20.5480 20.5480 22.2025 22.2025 24.1819 24.1819 k = 0.4309 0.2488 0.4297 ( 1243 PWs) bands (ev): -6.1777 -6.1777 -5.5133 -5.5133 -4.2362 -4.2362 -3.5734 -3.5734 -1.9975 -1.9975 -1.6334 -1.6334 -0.9356 -0.9356 4.6863 4.6863 8.0416 8.0416 8.4875 8.4875 10.0402 10.0402 11.5503 11.5503 11.8327 11.8327 16.0009 16.0009 20.5804 20.5804 22.1977 22.1977 24.1805 24.1805 k = 0.4276 0.2469 0.4405 ( 1245 PWs) bands (ev): -6.1618 -6.1618 -5.5364 -5.5364 -4.2261 -4.2261 -3.5652 -3.5652 -1.9893 -1.9893 -1.6140 -1.6140 -0.9400 -0.9400 4.6126 4.6126 8.0014 8.0014 8.4415 8.4415 10.1016 10.1016 11.5860 11.5860 11.8790 11.8790 15.9837 15.9837 20.6128 20.6128 22.1920 22.1920 24.1745 24.1745 k = 0.4243 0.2450 0.4512 ( 1245 PWs) bands (ev): -6.1465 -6.1465 -5.5579 -5.5579 -4.2168 -4.2168 -3.5573 -3.5573 -1.9818 -1.9818 -1.5945 -1.5945 -0.9435 -0.9435 4.5407 4.5407 7.9611 7.9611 8.3959 8.3959 10.1634 10.1634 11.6209 11.6209 11.9237 11.9237 15.9663 15.9663 20.6450 20.6450 22.1850 22.1850 24.1626 24.1626 k = 0.4211 0.2431 0.4620 ( 1241 PWs) bands (ev): -6.1317 -6.1317 -5.5776 -5.5776 -4.2084 -4.2084 -3.5498 -3.5498 -1.9751 -1.9751 -1.5752 -1.5752 -0.9460 -0.9460 4.4710 4.4710 7.9210 7.9210 8.3508 8.3508 10.2253 10.2253 11.6551 11.6551 11.9664 11.9664 15.9488 15.9488 20.6769 20.6769 22.1768 22.1768 24.1437 24.1437 k = 0.4178 0.2412 0.4727 ( 1241 PWs) bands (ev): -6.1179 -6.1179 -5.5954 -5.5954 -4.2009 -4.2009 -3.5425 -3.5425 -1.9690 -1.9690 -1.5567 -1.5567 -0.9471 -0.9471 4.4036 4.4036 7.8810 7.8810 8.3063 8.3063 10.2872 10.2872 11.6885 11.6885 12.0070 12.0070 15.9311 15.9311 20.7081 20.7081 22.1669 22.1669 24.1175 24.1175 k = 0.4145 0.2393 0.4835 ( 1244 PWs) bands (ev): -6.1052 -6.1052 -5.6110 -5.6110 -4.1943 -4.1943 -3.5356 -3.5356 -1.9634 -1.9634 -1.5395 -1.5395 -0.9466 -0.9466 4.3389 4.3389 7.8415 7.8415 8.2627 8.2627 10.3491 10.3491 11.7210 11.7210 12.0452 12.0452 15.9134 15.9134 20.7386 20.7386 22.1553 22.1553 24.0847 24.0847 k = 0.4112 0.2374 0.4942 ( 1244 PWs) bands (ev): -6.0939 -6.0939 -5.6242 -5.6242 -4.1886 -4.1886 -3.5291 -3.5291 -1.9585 -1.9585 -1.5240 -1.5240 -0.9440 -0.9440 4.2772 4.2772 7.8024 7.8024 8.2200 8.2200 10.4107 10.4107 11.7526 11.7526 12.0809 12.0809 15.8956 15.8956 20.7679 20.7679 22.1418 22.1418 24.0469 24.0469 k = 0.4079 0.2355 0.5049 ( 1242 PWs) bands (ev): -6.0842 -6.0842 -5.6349 -5.6349 -4.1838 -4.1838 -3.5229 -3.5229 -1.9540 -1.9540 -1.5107 -1.5107 -0.9390 -0.9390 4.2186 4.2186 7.7641 7.7641 8.1784 8.1784 10.4721 10.4721 11.7833 11.7833 12.1139 12.1139 15.8776 15.8776 20.7956 20.7956 22.1263 22.1263 24.0064 24.0064 k = 0.4046 0.2336 0.5157 ( 1242 PWs) bands (ev): -6.0761 -6.0761 -5.6430 -5.6430 -4.1798 -4.1798 -3.5172 -3.5172 -1.9500 -1.9500 -1.5000 -1.5000 -0.9315 -0.9315 4.1635 4.1635 7.7265 7.7265 8.1379 8.1379 10.5330 10.5330 11.8131 11.8131 12.1440 12.1440 15.8596 15.8596 20.8212 20.8212 22.1090 22.1090 23.9656 23.9656 k = 0.4013 0.2317 0.5264 ( 1242 PWs) bands (ev): -6.0699 -6.0699 -5.6485 -5.6485 -4.1768 -4.1768 -3.5119 -3.5119 -1.9465 -1.9465 -1.4923 -1.4923 -0.9212 -0.9212 4.1119 4.1119 7.6898 7.6898 8.0986 8.0986 10.5933 10.5933 11.8418 11.8418 12.1713 12.1713 15.8414 15.8414 20.8441 20.8441 22.0901 22.0901 23.9268 23.9268 k = 0.3980 0.2298 0.5372 ( 1238 PWs) bands (ev): -6.0656 -6.0656 -5.6515 -5.6515 -4.1747 -4.1747 -3.5070 -3.5070 -1.9434 -1.9434 -1.4876 -1.4876 -0.9080 -0.9080 4.0641 4.0641 7.6541 7.6541 8.0608 8.0608 10.6531 10.6531 11.8696 11.8696 12.1955 12.1955 15.8231 15.8231 20.8635 20.8635 22.0704 22.0704 23.8916 23.8916 k = 0.3947 0.2279 0.5479 ( 1242 PWs) bands (ev): -6.0630 -6.0630 -5.6520 -5.6520 -4.1735 -4.1735 -3.5025 -3.5025 -1.9407 -1.9407 -1.4861 -1.4861 -0.8921 -0.8921 4.0203 4.0203 7.6196 7.6196 8.0244 8.0244 10.7122 10.7122 11.8962 11.8962 12.2167 12.2167 15.8046 15.8046 20.8782 20.8782 22.0508 22.0508 23.8613 23.8613 k = 0.3914 0.2260 0.5587 ( 1240 PWs) bands (ev): -6.0619 -6.0619 -5.6504 -5.6504 -4.1732 -4.1732 -3.4984 -3.4984 -1.9384 -1.9384 -1.4876 -1.4876 -0.8735 -0.8735 3.9807 3.9807 7.5863 7.5863 7.9895 7.9895 10.7706 10.7706 11.9219 11.9219 12.2349 12.2349 15.7859 15.7859 20.8870 20.8870 22.0328 22.0328 23.8366 23.8366 k = 0.3882 0.2241 0.5694 ( 1244 PWs) bands (ev): -6.0622 -6.0622 -5.6470 -5.6470 -4.1739 -4.1739 -3.4947 -3.4947 -1.9365 -1.9365 -1.4920 -1.4920 -0.8527 -0.8527 3.9453 3.9453 7.5545 7.5545 7.9563 7.9563 10.8281 10.8281 11.9464 11.9464 12.2500 12.2500 15.7669 15.7669 20.8886 20.8886 22.0180 22.0180 23.8179 23.8179 k = 0.3849 0.2222 0.5801 ( 1246 PWs) bands (ev): -6.0636 -6.0636 -5.6420 -5.6420 -4.1756 -4.1756 -3.4915 -3.4915 -1.9350 -1.9350 -1.4988 -1.4988 -0.8300 -0.8300 3.9143 3.9143 7.5241 7.5241 7.9248 7.9248 10.8847 10.8847 11.9697 11.9697 12.2620 12.2620 15.7476 15.7476 20.8815 20.8815 22.0081 22.0081 23.8050 23.8050 k = 0.3816 0.2203 0.5909 ( 1244 PWs) bands (ev): -6.0658 -6.0658 -5.6360 -5.6360 -4.1782 -4.1782 -3.4886 -3.4886 -1.9338 -1.9338 -1.5079 -1.5079 -0.8057 -0.8057 3.8878 3.8878 7.4953 7.4953 7.8952 7.8952 10.9403 10.9403 11.9920 11.9920 12.2711 12.2711 15.7281 15.7281 20.8647 20.8647 22.0050 22.0050 23.7976 23.7976 k = 0.3783 0.2184 0.6016 ( 1246 PWs) bands (ev): -6.0684 -6.0684 -5.6293 -5.6293 -4.1818 -4.1818 -3.4861 -3.4861 -1.9331 -1.9331 -1.5188 -1.5188 -0.7802 -0.7802 3.8659 3.8659 7.4683 7.4683 7.8674 7.8674 10.9950 10.9950 12.0130 12.0130 12.2773 12.2773 15.7083 15.7083 20.8373 20.8373 22.0099 22.0099 23.7952 23.7952 k = 0.3750 0.2165 0.6124 ( 1250 PWs) bands (ev): -6.0713 -6.0713 -5.6223 -5.6223 -4.1864 -4.1864 -3.4840 -3.4840 -1.9327 -1.9327 -1.5313 -1.5313 -0.7539 -0.7539 3.8487 3.8487 7.4431 7.4431 7.8416 7.8416 11.0485 11.0485 12.0329 12.0329 12.2805 12.2805 15.6881 15.6881 20.7990 20.7990 22.0236 22.0236 23.7973 23.7973 k = 0.6250-0.0722 0.4082 ( 1250 PWs) bands (ev): -6.0713 -6.0713 -5.6223 -5.6223 -4.1864 -4.1864 -3.4840 -3.4840 -1.9327 -1.9327 -1.5313 -1.5313 -0.7539 -0.7539 3.8487 3.8487 7.4431 7.4431 7.8416 7.8416 11.0485 11.0485 12.0329 12.0329 12.2805 12.2805 15.6881 15.6881 20.7990 20.7990 22.0236 22.0236 23.7973 23.7973 k = 0.6193-0.0820 0.4082 ( 1246 PWs) bands (ev): -6.0765 -6.0765 -5.6096 -5.6096 -4.1957 -4.1957 -3.4807 -3.4807 -1.9325 -1.9325 -1.5539 -1.5539 -0.7078 -0.7078 3.8242 3.8242 7.4017 7.4017 7.7996 7.7996 11.1399 11.1399 12.0657 12.0657 12.2837 12.2837 15.6521 15.6521 20.7218 20.7218 22.0551 22.0551 23.8068 23.8068 k = 0.6136-0.0919 0.4082 ( 1246 PWs) bands (ev): -6.0820 -6.0820 -5.5961 -5.5961 -4.2061 -4.2061 -3.4776 -3.4776 -1.9329 -1.9329 -1.5761 -1.5761 -0.6615 -0.6615 3.8020 3.8020 7.3615 7.3615 7.7591 7.7591 11.2307 11.2307 12.0976 12.0976 12.2866 12.2866 15.6146 15.6146 20.6418 20.6418 22.0857 22.0857 23.8212 23.8212 k = 0.6080-0.1017 0.4082 ( 1248 PWs) bands (ev): -6.0877 -6.0877 -5.5820 -5.5820 -4.2176 -4.2176 -3.4747 -3.4747 -1.9337 -1.9337 -1.5976 -1.5976 -0.6155 -0.6155 3.7821 3.7821 7.3225 7.3225 7.7201 7.7201 11.3206 11.3206 12.1285 12.1285 12.2895 12.2895 15.5758 15.5758 20.5599 20.5599 22.1153 22.1153 23.8399 23.8399 k = 0.6023-0.1115 0.4082 ( 1248 PWs) bands (ev): -6.0935 -6.0935 -5.5672 -5.5672 -4.2300 -4.2300 -3.4721 -3.4721 -1.9350 -1.9350 -1.6183 -1.6183 -0.5701 -0.5701 3.7644 3.7644 7.2849 7.2849 7.6828 7.6828 11.4091 11.4091 12.1583 12.1583 12.2923 12.2923 15.5361 15.5361 20.4769 20.4769 22.1437 22.1437 23.8622 23.8622 k = 0.5966-0.1214 0.4082 ( 1248 PWs) bands (ev): -6.0994 -6.0994 -5.5519 -5.5519 -4.2431 -4.2431 -3.4698 -3.4698 -1.9369 -1.9369 -1.6379 -1.6379 -0.5255 -0.5255 3.7488 3.7488 7.2487 7.2487 7.6470 7.6470 11.4959 11.4959 12.1868 12.1868 12.2952 12.2952 15.4960 15.4960 20.3936 20.3936 22.1708 22.1708 23.8875 23.8875 k = 0.5909-0.1312 0.4082 ( 1248 PWs) bands (ev): -6.1053 -6.1053 -5.5362 -5.5362 -4.2569 -4.2569 -3.4677 -3.4677 -1.9393 -1.9393 -1.6562 -1.6562 -0.4820 -0.4820 3.7350 3.7350 7.2140 7.2140 7.6128 7.6128 11.5805 11.5805 12.2137 12.2137 12.2985 12.2985 15.4558 15.4558 20.3107 20.3107 22.1968 22.1968 23.9150 23.9150 k = 0.5852-0.1411 0.4082 ( 1248 PWs) bands (ev): -6.1112 -6.1112 -5.5201 -5.5201 -4.2712 -4.2712 -3.4659 -3.4659 -1.9422 -1.9422 -1.6731 -1.6731 -0.4400 -0.4400 3.7231 3.7231 7.1809 7.1809 7.5804 7.5804 11.6626 11.6626 12.2387 12.2387 12.3027 12.3027 15.4158 15.4158 20.2289 20.2289 22.2217 22.2217 23.9439 23.9439 k = 0.5795-0.1509 0.4082 ( 1248 PWs) bands (ev): -6.1170 -6.1170 -5.5039 -5.5039 -4.2860 -4.2860 -3.4643 -3.4643 -1.9458 -1.9458 -1.6885 -1.6885 -0.3995 -0.3995 3.7129 3.7129 7.1495 7.1495 7.5497 7.5497 11.7416 11.7416 12.2608 12.2608 12.3087 12.3087 15.3765 15.3765 20.1487 20.1487 22.2454 22.2454 23.9736 23.9736 k = 0.5739-0.1607 0.4082 ( 1248 PWs) bands (ev): -6.1226 -6.1226 -5.4876 -5.4876 -4.3010 -4.3010 -3.4630 -3.4630 -1.9498 -1.9498 -1.7023 -1.7023 -0.3609 -0.3609 3.7042 3.7042 7.1198 7.1198 7.5207 7.5207 11.8169 11.8169 12.2785 12.2785 12.3181 12.3181 15.3381 15.3381 20.0708 20.0708 22.2680 22.2680 24.0035 24.0035 k = 0.5682-0.1706 0.4082 ( 1244 PWs) bands (ev): -6.1281 -6.1281 -5.4713 -5.4713 -4.3160 -4.3160 -3.4618 -3.4618 -1.9542 -1.9542 -1.7147 -1.7147 -0.3244 -0.3244 3.6970 3.6970 7.0919 7.0919 7.4936 7.4936 11.8880 11.8880 12.2906 12.2906 12.3323 12.3323 15.3011 15.3011 19.9957 19.9957 22.2895 22.2895 24.0329 24.0329 k = 0.5625-0.1804 0.4082 ( 1244 PWs) bands (ev): -6.1333 -6.1333 -5.4553 -5.4553 -4.3310 -4.3310 -3.4609 -3.4609 -1.9590 -1.9590 -1.7255 -1.7255 -0.2901 -0.2901 3.6910 3.6910 7.0660 7.0660 7.4683 7.4683 11.9541 11.9541 12.2992 12.2992 12.3494 12.3494 15.2658 15.2658 19.9241 19.9241 22.3098 22.3098 24.0612 24.0612 k = 0.5568-0.1903 0.4082 ( 1248 PWs) bands (ev): -6.1382 -6.1382 -5.4398 -5.4398 -4.3457 -4.3457 -3.4601 -3.4601 -1.9640 -1.9640 -1.7348 -1.7348 -0.2582 -0.2582 3.6861 3.6861 7.0419 7.0419 7.4450 7.4450 12.0143 12.0143 12.3068 12.3068 12.3674 12.3674 15.2324 15.2324 19.8564 19.8564 22.3289 22.3289 24.0882 24.0882 k = 0.5511-0.2001 0.4082 ( 1244 PWs) bands (ev): -6.1427 -6.1427 -5.4248 -5.4248 -4.3599 -4.3599 -3.4595 -3.4595 -1.9691 -1.9691 -1.7428 -1.7428 -0.2289 -0.2289 3.6823 3.6823 7.0200 7.0200 7.4237 7.4237 12.0677 12.0677 12.3151 12.3151 12.3851 12.3851 15.2013 15.2013 19.7932 19.7933 22.3466 22.3466 24.1134 24.1134 k = 0.5455-0.2099 0.4082 ( 1248 PWs) bands (ev): -6.1469 -6.1469 -5.4106 -5.4106 -4.3734 -4.3734 -3.4591 -3.4591 -1.9741 -1.9741 -1.7496 -1.7496 -0.2023 -0.2023 3.6793 3.6793 7.0001 7.0001 7.4045 7.4045 12.1133 12.1133 12.3251 12.3251 12.4020 12.4020 15.1727 15.1727 19.7351 19.7351 22.3629 22.3629 24.1364 24.1364 k = 0.5398-0.2198 0.4082 ( 1250 PWs) bands (ev): -6.1507 -6.1507 -5.3974 -5.3974 -4.3861 -4.3861 -3.4587 -3.4587 -1.9789 -1.9789 -1.7553 -1.7553 -0.1785 -0.1785 3.6771 3.6771 6.9824 6.9824 7.3873 7.3873 12.1501 12.1501 12.3375 12.3375 12.4180 12.4180 15.1469 15.1469 19.6825 19.6825 22.3777 22.3777 24.1571 24.1571 k = 0.5341-0.2296 0.4082 ( 1250 PWs) bands (ev): -6.1541 -6.1541 -5.3854 -5.3854 -4.3976 -4.3976 -3.4584 -3.4584 -1.9834 -1.9834 -1.7599 -1.7599 -0.1577 -0.1577 3.6754 3.6754 6.9669 6.9669 7.3723 7.3723 12.1780 12.1780 12.3521 12.3521 12.4330 12.4330 15.1241 15.1241 19.6359 19.6359 22.3908 22.3908 24.1753 24.1753 k = 0.5284-0.2395 0.4082 ( 1248 PWs) bands (ev): -6.1569 -6.1569 -5.3748 -5.3748 -4.4078 -4.4078 -3.4582 -3.4582 -1.9874 -1.9874 -1.7636 -1.7636 -0.1400 -0.1400 3.6742 3.6742 6.9537 6.9537 7.3596 7.3596 12.1978 12.1978 12.3676 12.3676 12.4470 12.4470 15.1045 15.1045 19.5956 19.5956 22.4021 22.4021 24.1909 24.1909 k = 0.5227-0.2493 0.4082 ( 1248 PWs) bands (ev): -6.1593 -6.1593 -5.3658 -5.3658 -4.4165 -4.4165 -3.4581 -3.4581 -1.9908 -1.9908 -1.7665 -1.7665 -0.1253 -0.1253 3.6734 3.6734 6.9429 6.9429 7.3491 7.3491 12.2112 12.2112 12.3822 12.3822 12.4597 12.4597 15.0882 15.0882 19.5622 19.5622 22.4115 22.4115 24.2038 24.2038 k = 0.5170-0.2592 0.4082 ( 1238 PWs) bands (ev): -6.1612 -6.1612 -5.3586 -5.3586 -4.4235 -4.4235 -3.4580 -3.4580 -1.9935 -1.9935 -1.7687 -1.7687 -0.1139 -0.1139 3.6728 3.6728 6.9344 6.9344 7.3408 7.3408 12.2200 12.2200 12.3945 12.3945 12.4709 12.4709 15.0754 15.0754 19.5358 19.5358 22.4190 22.4190 24.2138 24.2138 k = 0.5114-0.2690 0.4082 ( 1234 PWs) bands (ev): -6.1626 -6.1626 -5.3534 -5.3534 -4.4285 -4.4285 -3.4580 -3.4580 -1.9955 -1.9955 -1.7702 -1.7702 -0.1056 -0.1056 3.6725 3.6725 6.9283 6.9283 7.3349 7.3349 12.2254 12.2254 12.4035 12.4035 12.4796 12.4796 15.0662 15.0662 19.5168 19.5168 22.4243 22.4243 24.2210 24.2210 k = 0.5057-0.2788 0.4082 ( 1234 PWs) bands (ev): -6.1634 -6.1634 -5.3502 -5.3502 -4.4317 -4.4317 -3.4579 -3.4579 -1.9968 -1.9968 -1.7711 -1.7711 -0.1007 -0.1007 3.6723 3.6723 6.9246 6.9246 7.3314 7.3314 12.2284 12.2284 12.4089 12.4089 12.4852 12.4852 15.0607 15.0607 19.5053 19.5053 22.4276 22.4276 24.2253 24.2253 k = 0.5000-0.2887 0.4082 ( 1234 PWs) bands (ev): -6.1636 -6.1636 -5.3491 -5.3491 -4.4327 -4.4327 -3.4579 -3.4579 -1.9972 -1.9972 -1.7714 -1.7714 -0.0990 -0.0990 3.6723 3.6723 6.9234 6.9234 7.3302 7.3302 12.2293 12.2293 12.4106 12.4106 12.4871 12.4871 15.0588 15.0588 19.5014 19.5014 22.4287 22.4287 24.2268 24.2268 Writing output data file PbO2.save init_run : 0.11s CPU 0.25s WALL ( 1 calls) electrons : 47.54s CPU 48.90s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 47.53s CPU 48.89s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 407 calls) cegterg : 43.55s CPU 44.55s WALL ( 407 calls) Called by sum_band: Called by *egterg: h_psi : 21.32s CPU 21.80s WALL ( 6510 calls) s_psi : 0.88s CPU 0.77s WALL ( 6510 calls) g_psi : 0.06s CPU 0.05s WALL ( 5696 calls) cdiaghg : 20.33s CPU 21.18s WALL ( 6103 calls) cegterg:over : 1.41s CPU 1.45s WALL ( 5696 calls) cegterg:upda : 1.07s CPU 0.96s WALL ( 5696 calls) cegterg:last : 0.62s CPU 0.62s WALL ( 1221 calls) cdiaghg:chol : 1.05s CPU 1.05s WALL ( 6103 calls) cdiaghg:inve : 0.40s CPU 0.46s WALL ( 6103 calls) cdiaghg:para : 1.14s CPU 1.31s WALL ( 12206 calls) Called by h_psi: h_psi:vloc : 19.17s CPU 19.69s WALL ( 6510 calls) h_psi:vnl : 2.12s CPU 2.08s WALL ( 6510 calls) add_vuspsi : 1.03s CPU 1.02s WALL ( 6510 calls) General routines calbec : 1.08s CPU 1.04s WALL ( 6510 calls) fft : 0.01s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 17.83s CPU 18.38s WALL ( 497536 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.07s CPU 0.11s WALL ( 814 calls) Parallel routines fft_scatter : 9.62s CPU 9.91s WALL ( 497559 calls) PWSCF : 0m56.05s CPU 1m 9.81s WALL This run was terminated on: 20:57:48 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=