Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:28:13 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: ./HfO2.save/ 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 28 17 5 613 272 45 Max 29 18 6 619 293 48 Sum 1039 613 187 22219 10081 1687 bravais-lattice index = 14 lattice parameter (alat) = 6.8349 a.u. unit-cell volume = 225.7737 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.834858 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 Hf read from file: /users/gautes/Pseudo/Hf.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: fb4a78a955dff820df95c575f14a6778 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1271 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 atomic species valence mass pseudopotential Hf 12.00 178.49000 Hf( 1.00) O 6.00 15.99940 O( 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= 409 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024450 k( 2) = ( 0.0080645 -0.0046561 0.0065847), wk = 0.0024450 k( 3) = ( 0.0161290 -0.0093121 0.0131693), wk = 0.0024450 k( 4) = ( 0.0241936 -0.0139682 0.0197540), wk = 0.0024450 k( 5) = ( 0.0322581 -0.0186242 0.0263386), wk = 0.0024450 k( 6) = ( 0.0403226 -0.0232803 0.0329232), wk = 0.0024450 k( 7) = ( 0.0483871 -0.0279363 0.0395079), wk = 0.0024450 k( 8) = ( 0.0564516 -0.0325924 0.0460925), wk = 0.0024450 k( 9) = ( 0.0645161 -0.0372484 0.0526772), wk = 0.0024450 k( 10) = ( 0.0725806 -0.0419045 0.0592619), wk = 0.0024450 k( 11) = ( 0.0806452 -0.0465605 0.0658465), wk = 0.0024450 k( 12) = ( 0.0887097 -0.0512166 0.0724312), wk = 0.0024450 k( 13) = ( 0.0967742 -0.0558726 0.0790158), wk = 0.0024450 k( 14) = ( 0.1048387 -0.0605287 0.0856004), wk = 0.0024450 k( 15) = ( 0.1129032 -0.0651847 0.0921851), wk = 0.0024450 k( 16) = ( 0.1209677 -0.0698408 0.0987697), wk = 0.0024450 k( 17) = ( 0.1290323 -0.0744968 0.1053544), wk = 0.0024450 k( 18) = ( 0.1370968 -0.0791529 0.1119390), wk = 0.0024450 k( 19) = ( 0.1451613 -0.0838089 0.1185237), wk = 0.0024450 k( 20) = ( 0.1532258 -0.0884650 0.1251083), wk = 0.0024450 k( 21) = ( 0.1612903 -0.0931210 0.1316930), wk = 0.0024450 k( 22) = ( 0.1693548 -0.0977771 0.1382776), wk = 0.0024450 k( 23) = ( 0.1774194 -0.1024331 0.1448623), wk = 0.0024450 k( 24) = ( 0.1854839 -0.1070892 0.1514469), wk = 0.0024450 k( 25) = ( 0.1935484 -0.1117452 0.1580316), wk = 0.0024450 k( 26) = ( 0.2016129 -0.1164013 0.1646162), wk = 0.0024450 k( 27) = ( 0.2096774 -0.1210573 0.1712009), wk = 0.0024450 k( 28) = ( 0.2177419 -0.1257134 0.1777855), wk = 0.0024450 k( 29) = ( 0.2258064 -0.1303694 0.1843702), wk = 0.0024450 k( 30) = ( 0.2338710 -0.1350255 0.1909548), wk = 0.0024450 k( 31) = ( 0.2419355 -0.1396815 0.1975395), wk = 0.0024450 k( 32) = ( 0.2500000 -0.1443376 0.2041241), wk = 0.0024450 k( 33) = ( 0.2580645 -0.1489936 0.2107088), wk = 0.0024450 k( 34) = ( 0.2661290 -0.1536497 0.2172934), wk = 0.0024450 k( 35) = ( 0.2741936 -0.1583057 0.2238781), wk = 0.0024450 k( 36) = ( 0.2822581 -0.1629618 0.2304627), wk = 0.0024450 k( 37) = ( 0.2903226 -0.1676178 0.2370474), wk = 0.0024450 k( 38) = ( 0.2983871 -0.1722739 0.2436320), wk = 0.0024450 k( 39) = ( 0.3064516 -0.1769299 0.2502167), wk = 0.0024450 k( 40) = ( 0.3145161 -0.1815860 0.2568013), wk = 0.0024450 k( 41) = ( 0.3225807 -0.1862420 0.2633860), wk = 0.0024450 k( 42) = ( 0.3306452 -0.1908981 0.2699706), wk = 0.0024450 k( 43) = ( 0.3387097 -0.1955541 0.2765553), wk = 0.0024450 k( 44) = ( 0.3467742 -0.2002102 0.2831399), wk = 0.0024450 k( 45) = ( 0.3548387 -0.2048662 0.2897246), wk = 0.0024450 k( 46) = ( 0.3629032 -0.2095223 0.2963092), wk = 0.0024450 k( 47) = ( 0.3709677 -0.2141783 0.3028939), wk = 0.0024450 k( 48) = ( 0.3790323 -0.2188344 0.3094785), wk = 0.0024450 k( 49) = ( 0.3870968 -0.2234904 0.3160632), wk = 0.0024450 k( 50) = ( 0.3951613 -0.2281465 0.3226478), wk = 0.0024450 k( 51) = ( 0.4032258 -0.2328025 0.3292325), wk = 0.0024450 k( 52) = ( 0.4112903 -0.2374586 0.3358171), wk = 0.0024450 k( 53) = ( 0.4193548 -0.2421146 0.3424018), wk = 0.0024450 k( 54) = ( 0.4274193 -0.2467707 0.3489864), wk = 0.0024450 k( 55) = ( 0.4354839 -0.2514267 0.3555711), wk = 0.0024450 k( 56) = ( 0.4435484 -0.2560828 0.3621557), wk = 0.0024450 k( 57) = ( 0.4516129 -0.2607388 0.3687404), wk = 0.0024450 k( 58) = ( 0.4596774 -0.2653949 0.3753250), wk = 0.0024450 k( 59) = ( 0.4677419 -0.2700509 0.3819097), wk = 0.0024450 k( 60) = ( 0.4758064 -0.2747070 0.3884943), wk = 0.0024450 k( 61) = ( 0.4838710 -0.2793630 0.3950790), wk = 0.0024450 k( 62) = ( 0.4919355 -0.2840191 0.4016636), wk = 0.0024450 k( 63) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0024450 k( 64) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0024450 k( 65) = ( 0.5000000 -0.2793630 0.4148329), wk = 0.0024450 k( 66) = ( 0.5000000 -0.2700509 0.4214176), wk = 0.0024450 k( 67) = ( 0.5000000 -0.2607388 0.4280022), wk = 0.0024450 k( 68) = ( 0.5000000 -0.2514267 0.4345869), wk = 0.0024450 k( 69) = ( 0.5000000 -0.2421146 0.4411715), wk = 0.0024450 k( 70) = ( 0.5000000 -0.2328025 0.4477562), wk = 0.0024450 k( 71) = ( 0.5000000 -0.2234904 0.4543408), wk = 0.0024450 k( 72) = ( 0.5000000 -0.2141783 0.4609255), wk = 0.0024450 k( 73) = ( 0.5000000 -0.2048662 0.4675101), wk = 0.0024450 k( 74) = ( 0.5000000 -0.1955541 0.4740948), wk = 0.0024450 k( 75) = ( 0.5000000 -0.1862420 0.4806794), wk = 0.0024450 k( 76) = ( 0.5000000 -0.1769299 0.4872641), wk = 0.0024450 k( 77) = ( 0.5000000 -0.1676178 0.4938487), wk = 0.0024450 k( 78) = ( 0.5000000 -0.1583057 0.5004334), wk = 0.0024450 k( 79) = ( 0.5000000 -0.1489936 0.5070180), wk = 0.0024450 k( 80) = ( 0.5000000 -0.1396815 0.5136027), wk = 0.0024450 k( 81) = ( 0.5000000 -0.1303694 0.5201873), wk = 0.0024450 k( 82) = ( 0.5000000 -0.1210573 0.5267720), wk = 0.0024450 k( 83) = ( 0.5000000 -0.1117452 0.5333566), wk = 0.0024450 k( 84) = ( 0.5000000 -0.1024331 0.5399413), wk = 0.0024450 k( 85) = ( 0.5000000 -0.0931210 0.5465259), wk = 0.0024450 k( 86) = ( 0.5000000 -0.0838089 0.5531106), wk = 0.0024450 k( 87) = ( 0.5000000 -0.0744968 0.5596952), wk = 0.0024450 k( 88) = ( 0.5000000 -0.0651847 0.5662799), wk = 0.0024450 k( 89) = ( 0.5000000 -0.0558726 0.5728645), wk = 0.0024450 k( 90) = ( 0.5000000 -0.0465605 0.5794492), wk = 0.0024450 k( 91) = ( 0.5000000 -0.0372484 0.5860338), wk = 0.0024450 k( 92) = ( 0.5000000 -0.0279363 0.5926185), wk = 0.0024450 k( 93) = ( 0.5000000 -0.0186242 0.5992031), wk = 0.0024450 k( 94) = ( 0.5000000 -0.0093121 0.6057878), wk = 0.0024450 k( 95) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0024450 k( 96) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0024450 k( 97) = ( 0.4943182 0.0098412 0.6123724), wk = 0.0024450 k( 98) = ( 0.4886364 0.0196824 0.6123724), wk = 0.0024450 k( 99) = ( 0.4829545 0.0295236 0.6123724), wk = 0.0024450 k( 100) = ( 0.4772727 0.0393648 0.6123724), wk = 0.0024450 k( 101) = ( 0.4715909 0.0492060 0.6123724), wk = 0.0024450 k( 102) = ( 0.4659091 0.0590472 0.6123724), wk = 0.0024450 k( 103) = ( 0.4602273 0.0688884 0.6123724), wk = 0.0024450 k( 104) = ( 0.4545455 0.0787296 0.6123724), wk = 0.0024450 k( 105) = ( 0.4488636 0.0885708 0.6123724), wk = 0.0024450 k( 106) = ( 0.4431818 0.0984120 0.6123724), wk = 0.0024450 k( 107) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0024450 k( 108) = ( 0.4318182 0.1180944 0.6123724), wk = 0.0024450 k( 109) = ( 0.4261364 0.1279356 0.6123724), wk = 0.0024450 k( 110) = ( 0.4204545 0.1377768 0.6123724), wk = 0.0024450 k( 111) = ( 0.4147727 0.1476180 0.6123724), wk = 0.0024450 k( 112) = ( 0.4090909 0.1574592 0.6123724), wk = 0.0024450 k( 113) = ( 0.4034091 0.1673004 0.6123724), wk = 0.0024450 k( 114) = ( 0.3977273 0.1771416 0.6123724), wk = 0.0024450 k( 115) = ( 0.3920455 0.1869828 0.6123724), wk = 0.0024450 k( 116) = ( 0.3863636 0.1968239 0.6123724), wk = 0.0024450 k( 117) = ( 0.3806818 0.2066652 0.6123724), wk = 0.0024450 k( 118) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0024450 k( 119) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0024450 k( 120) = ( 0.3693182 0.2132260 0.6030941), wk = 0.0024450 k( 121) = ( 0.3636364 0.2099456 0.5938157), wk = 0.0024450 k( 122) = ( 0.3579545 0.2066652 0.5845373), wk = 0.0024450 k( 123) = ( 0.3522727 0.2033848 0.5752589), wk = 0.0024450 k( 124) = ( 0.3465909 0.2001044 0.5659806), wk = 0.0024450 k( 125) = ( 0.3409091 0.1968240 0.5567022), wk = 0.0024450 k( 126) = ( 0.3352273 0.1935436 0.5474239), wk = 0.0024450 k( 127) = ( 0.3295455 0.1902632 0.5381455), wk = 0.0024450 k( 128) = ( 0.3238636 0.1869828 0.5288671), wk = 0.0024450 k( 129) = ( 0.3181818 0.1837024 0.5195887), wk = 0.0024450 k( 130) = ( 0.3125000 0.1804220 0.5103104), wk = 0.0024450 k( 131) = ( 0.3068182 0.1771416 0.5010320), wk = 0.0024450 k( 132) = ( 0.3011364 0.1738612 0.4917536), wk = 0.0024450 k( 133) = ( 0.2954545 0.1705808 0.4824752), wk = 0.0024450 k( 134) = ( 0.2897727 0.1673004 0.4731969), wk = 0.0024450 k( 135) = ( 0.2840909 0.1640200 0.4639185), wk = 0.0024450 k( 136) = ( 0.2784091 0.1607396 0.4546401), wk = 0.0024450 k( 137) = ( 0.2727273 0.1574592 0.4453618), wk = 0.0024450 k( 138) = ( 0.2670455 0.1541788 0.4360834), wk = 0.0024450 k( 139) = ( 0.2613636 0.1508984 0.4268050), wk = 0.0024450 k( 140) = ( 0.2556818 0.1476180 0.4175267), wk = 0.0024450 k( 141) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0024450 k( 142) = ( 0.2443182 0.1410572 0.3989699), wk = 0.0024450 k( 143) = ( 0.2386364 0.1377768 0.3896916), wk = 0.0024450 k( 144) = ( 0.2329546 0.1344964 0.3804132), wk = 0.0024450 k( 145) = ( 0.2272727 0.1312160 0.3711348), wk = 0.0024450 k( 146) = ( 0.2215909 0.1279356 0.3618564), wk = 0.0024450 k( 147) = ( 0.2159091 0.1246552 0.3525781), wk = 0.0024450 k( 148) = ( 0.2102273 0.1213748 0.3432997), wk = 0.0024450 k( 149) = ( 0.2045454 0.1180944 0.3340213), wk = 0.0024450 k( 150) = ( 0.1988636 0.1148140 0.3247430), wk = 0.0024450 k( 151) = ( 0.1931818 0.1115336 0.3154646), wk = 0.0024450 k( 152) = ( 0.1875000 0.1082532 0.3061862), wk = 0.0024450 k( 153) = ( 0.1818182 0.1049728 0.2969078), wk = 0.0024450 k( 154) = ( 0.1761364 0.1016924 0.2876295), wk = 0.0024450 k( 155) = ( 0.1704546 0.0984120 0.2783511), wk = 0.0024450 k( 156) = ( 0.1647727 0.0951316 0.2690727), wk = 0.0024450 k( 157) = ( 0.1590909 0.0918512 0.2597944), wk = 0.0024450 k( 158) = ( 0.1534091 0.0885708 0.2505160), wk = 0.0024450 k( 159) = ( 0.1477273 0.0852904 0.2412376), wk = 0.0024450 k( 160) = ( 0.1420454 0.0820100 0.2319593), wk = 0.0024450 k( 161) = ( 0.1363636 0.0787296 0.2226809), wk = 0.0024450 k( 162) = ( 0.1306818 0.0754492 0.2134025), wk = 0.0024450 k( 163) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0024450 k( 164) = ( 0.1193182 0.0688884 0.1948458), wk = 0.0024450 k( 165) = ( 0.1136364 0.0656080 0.1855674), wk = 0.0024450 k( 166) = ( 0.1079545 0.0623276 0.1762890), wk = 0.0024450 k( 167) = ( 0.1022727 0.0590472 0.1670107), wk = 0.0024450 k( 168) = ( 0.0965909 0.0557668 0.1577323), wk = 0.0024450 k( 169) = ( 0.0909091 0.0524864 0.1484539), wk = 0.0024450 k( 170) = ( 0.0852273 0.0492060 0.1391756), wk = 0.0024450 k( 171) = ( 0.0795455 0.0459256 0.1298972), wk = 0.0024450 k( 172) = ( 0.0738636 0.0426452 0.1206188), wk = 0.0024450 k( 173) = ( 0.0681818 0.0393648 0.1113404), wk = 0.0024450 k( 174) = ( 0.0625000 0.0360844 0.1020621), wk = 0.0024450 k( 175) = ( 0.0568182 0.0328040 0.0927837), wk = 0.0024450 k( 176) = ( 0.0511364 0.0295236 0.0835053), wk = 0.0024450 k( 177) = ( 0.0454546 0.0262432 0.0742270), wk = 0.0024450 k( 178) = ( 0.0397727 0.0229628 0.0649486), wk = 0.0024450 k( 179) = ( 0.0340909 0.0196824 0.0556702), wk = 0.0024450 k( 180) = ( 0.0284091 0.0164020 0.0463918), wk = 0.0024450 k( 181) = ( 0.0227273 0.0131216 0.0371135), wk = 0.0024450 k( 182) = ( 0.0170455 0.0098412 0.0278351), wk = 0.0024450 k( 183) = ( 0.0113636 0.0065608 0.0185567), wk = 0.0024450 k( 184) = ( 0.0056818 0.0032804 0.0092784), wk = 0.0024450 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024450 k( 186) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024450 k( 187) = ( 0.0092593 0.0053458 0.0037801), wk = 0.0024450 k( 188) = ( 0.0185185 0.0106917 0.0075602), wk = 0.0024450 k( 189) = ( 0.0277778 0.0160375 0.0113402), wk = 0.0024450 k( 190) = ( 0.0370370 0.0213833 0.0151203), wk = 0.0024450 k( 191) = ( 0.0462963 0.0267292 0.0189004), wk = 0.0024450 k( 192) = ( 0.0555556 0.0320750 0.0226805), wk = 0.0024450 k( 193) = ( 0.0648148 0.0374208 0.0264605), wk = 0.0024450 k( 194) = ( 0.0740741 0.0427667 0.0302406), wk = 0.0024450 k( 195) = ( 0.0833333 0.0481125 0.0340207), wk = 0.0024450 k( 196) = ( 0.0925926 0.0534584 0.0378008), wk = 0.0024450 k( 197) = ( 0.1018518 0.0588042 0.0415808), wk = 0.0024450 k( 198) = ( 0.1111111 0.0641500 0.0453609), wk = 0.0024450 k( 199) = ( 0.1203704 0.0694959 0.0491410), wk = 0.0024450 k( 200) = ( 0.1296296 0.0748417 0.0529211), wk = 0.0024450 k( 201) = ( 0.1388889 0.0801875 0.0567012), wk = 0.0024450 k( 202) = ( 0.1481482 0.0855334 0.0604812), wk = 0.0024450 k( 203) = ( 0.1574074 0.0908792 0.0642613), wk = 0.0024450 k( 204) = ( 0.1666667 0.0962250 0.0680414), wk = 0.0024450 k( 205) = ( 0.1759259 0.1015709 0.0718215), wk = 0.0024450 k( 206) = ( 0.1851852 0.1069167 0.0756015), wk = 0.0024450 k( 207) = ( 0.1944444 0.1122625 0.0793816), wk = 0.0024450 k( 208) = ( 0.2037037 0.1176084 0.0831617), wk = 0.0024450 k( 209) = ( 0.2129630 0.1229542 0.0869418), wk = 0.0024450 k( 210) = ( 0.2222222 0.1283001 0.0907218), wk = 0.0024450 k( 211) = ( 0.2314815 0.1336459 0.0945019), wk = 0.0024450 k( 212) = ( 0.2407407 0.1389917 0.0982820), wk = 0.0024450 k( 213) = ( 0.2500000 0.1443376 0.1020621), wk = 0.0024450 k( 214) = ( 0.2592593 0.1496834 0.1058421), wk = 0.0024450 k( 215) = ( 0.2685185 0.1550292 0.1096222), wk = 0.0024450 k( 216) = ( 0.2777778 0.1603751 0.1134023), wk = 0.0024450 k( 217) = ( 0.2870370 0.1657209 0.1171824), wk = 0.0024450 k( 218) = ( 0.2962963 0.1710667 0.1209625), wk = 0.0024450 k( 219) = ( 0.3055556 0.1764126 0.1247425), wk = 0.0024450 k( 220) = ( 0.3148148 0.1817584 0.1285226), wk = 0.0024450 k( 221) = ( 0.3240741 0.1871043 0.1323027), wk = 0.0024450 k( 222) = ( 0.3333333 0.1924501 0.1360828), wk = 0.0024450 k( 223) = ( 0.3425926 0.1977959 0.1398628), wk = 0.0024450 k( 224) = ( 0.3518519 0.2031418 0.1436429), wk = 0.0024450 k( 225) = ( 0.3611111 0.2084876 0.1474230), wk = 0.0024450 k( 226) = ( 0.3703704 0.2138334 0.1512031), wk = 0.0024450 k( 227) = ( 0.3796296 0.2191793 0.1549831), wk = 0.0024450 k( 228) = ( 0.3888889 0.2245251 0.1587632), wk = 0.0024450 k( 229) = ( 0.3981481 0.2298709 0.1625433), wk = 0.0024450 k( 230) = ( 0.4074074 0.2352168 0.1663234), wk = 0.0024450 k( 231) = ( 0.4166667 0.2405626 0.1701035), wk = 0.0024450 k( 232) = ( 0.4259259 0.2459085 0.1738835), wk = 0.0024450 k( 233) = ( 0.4351852 0.2512543 0.1776636), wk = 0.0024450 k( 234) = ( 0.4444444 0.2566001 0.1814437), wk = 0.0024450 k( 235) = ( 0.4537037 0.2619460 0.1852238), wk = 0.0024450 k( 236) = ( 0.4629630 0.2672918 0.1890038), wk = 0.0024450 k( 237) = ( 0.4722222 0.2726376 0.1927839), wk = 0.0024450 k( 238) = ( 0.4814815 0.2779835 0.1965640), wk = 0.0024450 k( 239) = ( 0.4907407 0.2833293 0.2003441), wk = 0.0024450 k( 240) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0024450 k( 241) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0024450 k( 242) = ( 0.5032895 0.2791792 0.2094958), wk = 0.0024450 k( 243) = ( 0.5065789 0.2696834 0.2148675), wk = 0.0024450 k( 244) = ( 0.5098684 0.2601875 0.2202392), wk = 0.0024450 k( 245) = ( 0.5131579 0.2506916 0.2256109), wk = 0.0024450 k( 246) = ( 0.5164474 0.2411957 0.2309826), wk = 0.0024450 k( 247) = ( 0.5197368 0.2316998 0.2363543), wk = 0.0024450 k( 248) = ( 0.5230263 0.2222039 0.2417260), wk = 0.0024450 k( 249) = ( 0.5263158 0.2127080 0.2470977), wk = 0.0024450 k( 250) = ( 0.5296053 0.2032121 0.2524693), wk = 0.0024450 k( 251) = ( 0.5328947 0.1937162 0.2578410), wk = 0.0024450 k( 252) = ( 0.5361842 0.1842203 0.2632127), wk = 0.0024450 k( 253) = ( 0.5394737 0.1747244 0.2685844), wk = 0.0024450 k( 254) = ( 0.5427632 0.1652285 0.2739561), wk = 0.0024450 k( 255) = ( 0.5460526 0.1557326 0.2793278), wk = 0.0024450 k( 256) = ( 0.5493421 0.1462367 0.2846995), wk = 0.0024450 k( 257) = ( 0.5526316 0.1367409 0.2900712), wk = 0.0024450 k( 258) = ( 0.5559211 0.1272450 0.2954428), wk = 0.0024450 k( 259) = ( 0.5592105 0.1177491 0.3008145), wk = 0.0024450 k( 260) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0024450 k( 261) = ( 0.5657895 0.0987573 0.3115579), wk = 0.0024450 k( 262) = ( 0.5690789 0.0892614 0.3169296), wk = 0.0024450 k( 263) = ( 0.5723684 0.0797655 0.3223013), wk = 0.0024450 k( 264) = ( 0.5756579 0.0702696 0.3276730), wk = 0.0024450 k( 265) = ( 0.5789474 0.0607737 0.3330447), wk = 0.0024450 k( 266) = ( 0.5822368 0.0512778 0.3384163), wk = 0.0024450 k( 267) = ( 0.5855263 0.0417819 0.3437880), wk = 0.0024450 k( 268) = ( 0.5888158 0.0322860 0.3491597), wk = 0.0024450 k( 269) = ( 0.5921053 0.0227901 0.3545314), wk = 0.0024450 k( 270) = ( 0.5953947 0.0132943 0.3599031), wk = 0.0024450 k( 271) = ( 0.5986842 0.0037984 0.3652748), wk = 0.0024450 k( 272) = ( 0.6019737 -0.0056975 0.3706465), wk = 0.0024450 k( 273) = ( 0.6052632 -0.0151934 0.3760182), wk = 0.0024450 k( 274) = ( 0.6085526 -0.0246893 0.3813898), wk = 0.0024450 k( 275) = ( 0.6118421 -0.0341852 0.3867615), wk = 0.0024450 k( 276) = ( 0.6151316 -0.0436811 0.3921332), wk = 0.0024450 k( 277) = ( 0.6184211 -0.0531770 0.3975049), wk = 0.0024450 k( 278) = ( 0.6217105 -0.0626729 0.4028766), wk = 0.0024450 k( 279) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0024450 k( 280) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0024450 k( 281) = ( 0.6193182 -0.0688884 0.4175267), wk = 0.0024450 k( 282) = ( 0.6136364 -0.0656080 0.4268050), wk = 0.0024450 k( 283) = ( 0.6079545 -0.0623276 0.4360834), wk = 0.0024450 k( 284) = ( 0.6022727 -0.0590472 0.4453618), wk = 0.0024450 k( 285) = ( 0.5965909 -0.0557668 0.4546401), wk = 0.0024450 k( 286) = ( 0.5909091 -0.0524864 0.4639185), wk = 0.0024450 k( 287) = ( 0.5852273 -0.0492060 0.4731969), wk = 0.0024450 k( 288) = ( 0.5795455 -0.0459256 0.4824753), wk = 0.0024450 k( 289) = ( 0.5738636 -0.0426452 0.4917536), wk = 0.0024450 k( 290) = ( 0.5681818 -0.0393648 0.5010320), wk = 0.0024450 k( 291) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0024450 k( 292) = ( 0.5568182 -0.0328040 0.5195887), wk = 0.0024450 k( 293) = ( 0.5511364 -0.0295236 0.5288671), wk = 0.0024450 k( 294) = ( 0.5454545 -0.0262432 0.5381455), wk = 0.0024450 k( 295) = ( 0.5397727 -0.0229628 0.5474238), wk = 0.0024450 k( 296) = ( 0.5340909 -0.0196824 0.5567022), wk = 0.0024450 k( 297) = ( 0.5284091 -0.0164020 0.5659806), wk = 0.0024450 k( 298) = ( 0.5227273 -0.0131216 0.5752590), wk = 0.0024450 k( 299) = ( 0.5170455 -0.0098412 0.5845373), wk = 0.0024450 k( 300) = ( 0.5113636 -0.0065608 0.5938157), wk = 0.0024450 k( 301) = ( 0.5056818 -0.0032804 0.6030941), wk = 0.0024450 k( 302) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0024450 k( 303) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0024450 k( 304) = ( 0.5000000 0.0065608 0.6030941), wk = 0.0024450 k( 305) = ( 0.5000000 0.0131216 0.5938157), wk = 0.0024450 k( 306) = ( 0.5000000 0.0196824 0.5845373), wk = 0.0024450 k( 307) = ( 0.5000000 0.0262432 0.5752590), wk = 0.0024450 k( 308) = ( 0.5000000 0.0328040 0.5659806), wk = 0.0024450 k( 309) = ( 0.5000000 0.0393648 0.5567022), wk = 0.0024450 k( 310) = ( 0.5000000 0.0459256 0.5474238), wk = 0.0024450 k( 311) = ( 0.5000000 0.0524864 0.5381455), wk = 0.0024450 k( 312) = ( 0.5000000 0.0590472 0.5288671), wk = 0.0024450 k( 313) = ( 0.5000000 0.0656080 0.5195887), wk = 0.0024450 k( 314) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0024450 k( 315) = ( 0.5000000 0.0787296 0.5010320), wk = 0.0024450 k( 316) = ( 0.5000000 0.0852904 0.4917536), wk = 0.0024450 k( 317) = ( 0.5000000 0.0918512 0.4824753), wk = 0.0024450 k( 318) = ( 0.5000000 0.0984120 0.4731969), wk = 0.0024450 k( 319) = ( 0.5000000 0.1049728 0.4639185), wk = 0.0024450 k( 320) = ( 0.5000000 0.1115336 0.4546401), wk = 0.0024450 k( 321) = ( 0.5000000 0.1180944 0.4453618), wk = 0.0024450 k( 322) = ( 0.5000000 0.1246552 0.4360834), wk = 0.0024450 k( 323) = ( 0.5000000 0.1312160 0.4268050), wk = 0.0024450 k( 324) = ( 0.5000000 0.1377768 0.4175267), wk = 0.0024450 k( 325) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0024450 k( 326) = ( 0.5000000 0.1508984 0.3989699), wk = 0.0024450 k( 327) = ( 0.5000000 0.1574592 0.3896915), wk = 0.0024450 k( 328) = ( 0.5000000 0.1640200 0.3804132), wk = 0.0024450 k( 329) = ( 0.5000000 0.1705808 0.3711348), wk = 0.0024450 k( 330) = ( 0.5000000 0.1771416 0.3618564), wk = 0.0024450 k( 331) = ( 0.5000000 0.1837024 0.3525781), wk = 0.0024450 k( 332) = ( 0.5000000 0.1902632 0.3432997), wk = 0.0024450 k( 333) = ( 0.5000000 0.1968240 0.3340213), wk = 0.0024450 k( 334) = ( 0.5000000 0.2033847 0.3247430), wk = 0.0024450 k( 335) = ( 0.5000000 0.2099456 0.3154646), wk = 0.0024450 k( 336) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0024450 k( 337) = ( 0.5000000 0.2230672 0.2969078), wk = 0.0024450 k( 338) = ( 0.5000000 0.2296280 0.2876295), wk = 0.0024450 k( 339) = ( 0.5000000 0.2361887 0.2783511), wk = 0.0024450 k( 340) = ( 0.5000000 0.2427495 0.2690727), wk = 0.0024450 k( 341) = ( 0.5000000 0.2493103 0.2597944), wk = 0.0024450 k( 342) = ( 0.5000000 0.2558711 0.2505160), wk = 0.0024450 k( 343) = ( 0.5000000 0.2624319 0.2412376), wk = 0.0024450 k( 344) = ( 0.5000000 0.2689927 0.2319592), wk = 0.0024450 k( 345) = ( 0.5000000 0.2755535 0.2226809), wk = 0.0024450 k( 346) = ( 0.5000000 0.2821143 0.2134025), wk = 0.0024450 k( 347) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0024450 k( 348) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0024450 k( 349) = ( 0.4967105 0.2867760 0.2148675), wk = 0.0024450 k( 350) = ( 0.4934211 0.2848768 0.2256109), wk = 0.0024450 k( 351) = ( 0.4901316 0.2829776 0.2363543), wk = 0.0024450 k( 352) = ( 0.4868421 0.2810784 0.2470976), wk = 0.0024450 k( 353) = ( 0.4835526 0.2791792 0.2578410), wk = 0.0024450 k( 354) = ( 0.4802632 0.2772801 0.2685844), wk = 0.0024450 k( 355) = ( 0.4769737 0.2753809 0.2793278), wk = 0.0024450 k( 356) = ( 0.4736842 0.2734817 0.2900712), wk = 0.0024450 k( 357) = ( 0.4703947 0.2715825 0.3008145), wk = 0.0024450 k( 358) = ( 0.4671053 0.2696833 0.3115579), wk = 0.0024450 k( 359) = ( 0.4638158 0.2677842 0.3223013), wk = 0.0024450 k( 360) = ( 0.4605263 0.2658850 0.3330447), wk = 0.0024450 k( 361) = ( 0.4572368 0.2639858 0.3437880), wk = 0.0024450 k( 362) = ( 0.4539474 0.2620866 0.3545314), wk = 0.0024450 k( 363) = ( 0.4506579 0.2601875 0.3652748), wk = 0.0024450 k( 364) = ( 0.4473684 0.2582883 0.3760182), wk = 0.0024450 k( 365) = ( 0.4440789 0.2563891 0.3867615), wk = 0.0024450 k( 366) = ( 0.4407895 0.2544899 0.3975049), wk = 0.0024450 k( 367) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0024450 k( 368) = ( 0.4342105 0.2506916 0.4189917), wk = 0.0024450 k( 369) = ( 0.4309211 0.2487924 0.4297350), wk = 0.0024450 k( 370) = ( 0.4276316 0.2468932 0.4404784), wk = 0.0024450 k( 371) = ( 0.4243421 0.2449940 0.4512218), wk = 0.0024450 k( 372) = ( 0.4210526 0.2430948 0.4619652), wk = 0.0024450 k( 373) = ( 0.4177632 0.2411957 0.4727085), wk = 0.0024450 k( 374) = ( 0.4144737 0.2392965 0.4834519), wk = 0.0024450 k( 375) = ( 0.4111842 0.2373973 0.4941953), wk = 0.0024450 k( 376) = ( 0.4078947 0.2354981 0.5049387), wk = 0.0024450 k( 377) = ( 0.4046053 0.2335990 0.5156820), wk = 0.0024450 k( 378) = ( 0.4013158 0.2316998 0.5264254), wk = 0.0024450 k( 379) = ( 0.3980263 0.2298006 0.5371688), wk = 0.0024450 k( 380) = ( 0.3947368 0.2279014 0.5479122), wk = 0.0024450 k( 381) = ( 0.3914474 0.2260022 0.5586556), wk = 0.0024450 k( 382) = ( 0.3881579 0.2241031 0.5693989), wk = 0.0024450 k( 383) = ( 0.3848684 0.2222039 0.5801423), wk = 0.0024450 k( 384) = ( 0.3815789 0.2203047 0.5908857), wk = 0.0024450 k( 385) = ( 0.3782895 0.2184055 0.6016291), wk = 0.0024450 k( 386) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0024450 k( 387) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0024450 k( 388) = ( 0.6193182 -0.0820100 0.4082483), wk = 0.0024450 k( 389) = ( 0.6136364 -0.0918512 0.4082483), wk = 0.0024450 k( 390) = ( 0.6079545 -0.1016924 0.4082483), wk = 0.0024450 k( 391) = ( 0.6022727 -0.1115336 0.4082483), wk = 0.0024450 k( 392) = ( 0.5965909 -0.1213748 0.4082483), wk = 0.0024450 k( 393) = ( 0.5909091 -0.1312160 0.4082483), wk = 0.0024450 k( 394) = ( 0.5852273 -0.1410572 0.4082483), wk = 0.0024450 k( 395) = ( 0.5795455 -0.1508984 0.4082483), wk = 0.0024450 k( 396) = ( 0.5738636 -0.1607396 0.4082483), wk = 0.0024450 k( 397) = ( 0.5681818 -0.1705808 0.4082483), wk = 0.0024450 k( 398) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0024450 k( 399) = ( 0.5568182 -0.1902632 0.4082483), wk = 0.0024450 k( 400) = ( 0.5511364 -0.2001043 0.4082483), wk = 0.0024450 k( 401) = ( 0.5454545 -0.2099456 0.4082483), wk = 0.0024450 k( 402) = ( 0.5397727 -0.2197868 0.4082483), wk = 0.0024450 k( 403) = ( 0.5340909 -0.2296279 0.4082483), wk = 0.0024450 k( 404) = ( 0.5284091 -0.2394691 0.4082483), wk = 0.0024450 k( 405) = ( 0.5227273 -0.2493103 0.4082483), wk = 0.0024450 k( 406) = ( 0.5170455 -0.2591515 0.4082483), wk = 0.0024450 k( 407) = ( 0.5113636 -0.2689927 0.4082483), wk = 0.0024450 k( 408) = ( 0.5056818 -0.2788339 0.4082483), wk = 0.0024450 k( 409) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0024450 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024450 k( 2) = ( 0.0080645 0.0000000 0.0080645), wk = 0.0024450 k( 3) = ( 0.0161290 0.0000000 0.0161290), wk = 0.0024450 k( 4) = ( 0.0241936 0.0000000 0.0241936), wk = 0.0024450 k( 5) = ( 0.0322581 0.0000000 0.0322581), wk = 0.0024450 k( 6) = ( 0.0403226 0.0000000 0.0403226), wk = 0.0024450 k( 7) = ( 0.0483871 0.0000000 0.0483871), wk = 0.0024450 k( 8) = ( 0.0564516 0.0000000 0.0564516), wk = 0.0024450 k( 9) = ( 0.0645161 0.0000000 0.0645161), wk = 0.0024450 k( 10) = ( 0.0725806 0.0000000 0.0725806), wk = 0.0024450 k( 11) = ( 0.0806452 0.0000000 0.0806452), wk = 0.0024450 k( 12) = ( 0.0887097 0.0000000 0.0887097), wk = 0.0024450 k( 13) = ( 0.0967742 0.0000000 0.0967742), wk = 0.0024450 k( 14) = ( 0.1048387 0.0000000 0.1048387), wk = 0.0024450 k( 15) = ( 0.1129032 0.0000000 0.1129032), wk = 0.0024450 k( 16) = ( 0.1209677 -0.0000000 0.1209677), wk = 0.0024450 k( 17) = ( 0.1290323 0.0000000 0.1290323), wk = 0.0024450 k( 18) = ( 0.1370968 0.0000000 0.1370968), wk = 0.0024450 k( 19) = ( 0.1451613 0.0000000 0.1451613), wk = 0.0024450 k( 20) = ( 0.1532258 0.0000000 0.1532258), wk = 0.0024450 k( 21) = ( 0.1612903 0.0000000 0.1612903), wk = 0.0024450 k( 22) = ( 0.1693548 0.0000000 0.1693548), wk = 0.0024450 k( 23) = ( 0.1774194 0.0000000 0.1774194), wk = 0.0024450 k( 24) = ( 0.1854839 0.0000000 0.1854839), wk = 0.0024450 k( 25) = ( 0.1935484 0.0000000 0.1935484), wk = 0.0024450 k( 26) = ( 0.2016129 0.0000000 0.2016129), wk = 0.0024450 k( 27) = ( 0.2096774 0.0000000 0.2096774), wk = 0.0024450 k( 28) = ( 0.2177419 -0.0000000 0.2177419), wk = 0.0024450 k( 29) = ( 0.2258064 0.0000000 0.2258064), wk = 0.0024450 k( 30) = ( 0.2338710 0.0000000 0.2338710), wk = 0.0024450 k( 31) = ( 0.2419355 -0.0000000 0.2419355), wk = 0.0024450 k( 32) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0024450 k( 33) = ( 0.2580645 0.0000000 0.2580645), wk = 0.0024450 k( 34) = ( 0.2661290 0.0000000 0.2661290), wk = 0.0024450 k( 35) = ( 0.2741936 0.0000000 0.2741936), wk = 0.0024450 k( 36) = ( 0.2822581 0.0000000 0.2822581), wk = 0.0024450 k( 37) = ( 0.2903226 0.0000000 0.2903226), wk = 0.0024450 k( 38) = ( 0.2983871 0.0000000 0.2983871), wk = 0.0024450 k( 39) = ( 0.3064516 0.0000000 0.3064516), wk = 0.0024450 k( 40) = ( 0.3145161 0.0000000 0.3145161), wk = 0.0024450 k( 41) = ( 0.3225807 0.0000000 0.3225806), wk = 0.0024450 k( 42) = ( 0.3306452 0.0000000 0.3306452), wk = 0.0024450 k( 43) = ( 0.3387097 0.0000000 0.3387097), wk = 0.0024450 k( 44) = ( 0.3467742 0.0000000 0.3467742), wk = 0.0024450 k( 45) = ( 0.3548387 0.0000000 0.3548387), wk = 0.0024450 k( 46) = ( 0.3629032 0.0000000 0.3629032), wk = 0.0024450 k( 47) = ( 0.3709677 0.0000000 0.3709677), wk = 0.0024450 k( 48) = ( 0.3790323 0.0000000 0.3790323), wk = 0.0024450 k( 49) = ( 0.3870968 0.0000000 0.3870968), wk = 0.0024450 k( 50) = ( 0.3951613 0.0000000 0.3951613), wk = 0.0024450 k( 51) = ( 0.4032258 0.0000000 0.4032258), wk = 0.0024450 k( 52) = ( 0.4112903 0.0000000 0.4112903), wk = 0.0024450 k( 53) = ( 0.4193548 0.0000000 0.4193548), wk = 0.0024450 k( 54) = ( 0.4274193 0.0000000 0.4274193), wk = 0.0024450 k( 55) = ( 0.4354839 0.0000000 0.4354839), wk = 0.0024450 k( 56) = ( 0.4435484 0.0000000 0.4435484), wk = 0.0024450 k( 57) = ( 0.4516129 0.0000000 0.4516129), wk = 0.0024450 k( 58) = ( 0.4596774 -0.0000000 0.4596774), wk = 0.0024450 k( 59) = ( 0.4677419 0.0000000 0.4677419), wk = 0.0024450 k( 60) = ( 0.4758064 -0.0000000 0.4758064), wk = 0.0024450 k( 61) = ( 0.4838710 0.0000000 0.4838710), wk = 0.0024450 k( 62) = ( 0.4919355 -0.0000000 0.4919355), wk = 0.0024450 k( 63) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024450 k( 64) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024450 k( 65) = ( 0.5000000 0.0080645 0.5080645), wk = 0.0024450 k( 66) = ( 0.5000000 0.0161290 0.5161290), wk = 0.0024450 k( 67) = ( 0.5000000 0.0241936 0.5241936), wk = 0.0024450 k( 68) = ( 0.5000000 0.0322581 0.5322581), wk = 0.0024450 k( 69) = ( 0.5000000 0.0403226 0.5403226), wk = 0.0024450 k( 70) = ( 0.5000000 0.0483871 0.5483871), wk = 0.0024450 k( 71) = ( 0.5000000 0.0564516 0.5564516), wk = 0.0024450 k( 72) = ( 0.5000000 0.0645161 0.5645161), wk = 0.0024450 k( 73) = ( 0.5000000 0.0725806 0.5725807), wk = 0.0024450 k( 74) = ( 0.5000000 0.0806452 0.5806452), wk = 0.0024450 k( 75) = ( 0.5000000 0.0887097 0.5887097), wk = 0.0024450 k( 76) = ( 0.5000000 0.0967742 0.5967742), wk = 0.0024450 k( 77) = ( 0.5000000 0.1048387 0.6048387), wk = 0.0024450 k( 78) = ( 0.5000000 0.1129032 0.6129032), wk = 0.0024450 k( 79) = ( 0.5000000 0.1209677 0.6209677), wk = 0.0024450 k( 80) = ( 0.5000000 0.1290323 0.6290323), wk = 0.0024450 k( 81) = ( 0.5000000 0.1370968 0.6370968), wk = 0.0024450 k( 82) = ( 0.5000000 0.1451613 0.6451613), wk = 0.0024450 k( 83) = ( 0.5000000 0.1532258 0.6532258), wk = 0.0024450 k( 84) = ( 0.5000000 0.1612903 0.6612903), wk = 0.0024450 k( 85) = ( 0.5000000 0.1693548 0.6693548), wk = 0.0024450 k( 86) = ( 0.5000000 0.1774194 0.6774193), wk = 0.0024450 k( 87) = ( 0.5000000 0.1854839 0.6854839), wk = 0.0024450 k( 88) = ( 0.5000000 0.1935484 0.6935484), wk = 0.0024450 k( 89) = ( 0.5000000 0.2016129 0.7016129), wk = 0.0024450 k( 90) = ( 0.5000000 0.2096774 0.7096774), wk = 0.0024450 k( 91) = ( 0.5000000 0.2177419 0.7177419), wk = 0.0024450 k( 92) = ( 0.5000000 0.2258064 0.7258064), wk = 0.0024450 k( 93) = ( 0.5000000 0.2338710 0.7338710), wk = 0.0024450 k( 94) = ( 0.5000000 0.2419355 0.7419355), wk = 0.0024450 k( 95) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0024450 k( 96) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0024450 k( 97) = ( 0.4943182 0.2556818 0.7500000), wk = 0.0024450 k( 98) = ( 0.4886364 0.2613636 0.7500000), wk = 0.0024450 k( 99) = ( 0.4829545 0.2670455 0.7500000), wk = 0.0024450 k( 100) = ( 0.4772727 0.2727273 0.7500000), wk = 0.0024450 k( 101) = ( 0.4715909 0.2784091 0.7500000), wk = 0.0024450 k( 102) = ( 0.4659091 0.2840909 0.7500000), wk = 0.0024450 k( 103) = ( 0.4602273 0.2897727 0.7500000), wk = 0.0024450 k( 104) = ( 0.4545455 0.2954545 0.7500000), wk = 0.0024450 k( 105) = ( 0.4488636 0.3011364 0.7500000), wk = 0.0024450 k( 106) = ( 0.4431818 0.3068182 0.7500000), wk = 0.0024450 k( 107) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0024450 k( 108) = ( 0.4318182 0.3181818 0.7500000), wk = 0.0024450 k( 109) = ( 0.4261364 0.3238636 0.7500000), wk = 0.0024450 k( 110) = ( 0.4204545 0.3295455 0.7500000), wk = 0.0024450 k( 111) = ( 0.4147727 0.3352273 0.7500000), wk = 0.0024450 k( 112) = ( 0.4090909 0.3409091 0.7500000), wk = 0.0024450 k( 113) = ( 0.4034091 0.3465909 0.7500000), wk = 0.0024450 k( 114) = ( 0.3977273 0.3522727 0.7500000), wk = 0.0024450 k( 115) = ( 0.3920455 0.3579545 0.7500000), wk = 0.0024450 k( 116) = ( 0.3863636 0.3636364 0.7500000), wk = 0.0024450 k( 117) = ( 0.3806818 0.3693182 0.7500000), wk = 0.0024450 k( 118) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0024450 k( 119) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0024450 k( 120) = ( 0.3693182 0.3693182 0.7386364), wk = 0.0024450 k( 121) = ( 0.3636364 0.3636364 0.7272727), wk = 0.0024450 k( 122) = ( 0.3579545 0.3579545 0.7159091), wk = 0.0024450 k( 123) = ( 0.3522727 0.3522727 0.7045455), wk = 0.0024450 k( 124) = ( 0.3465909 0.3465909 0.6931818), wk = 0.0024450 k( 125) = ( 0.3409091 0.3409091 0.6818182), wk = 0.0024450 k( 126) = ( 0.3352273 0.3352273 0.6704545), wk = 0.0024450 k( 127) = ( 0.3295455 0.3295455 0.6590909), wk = 0.0024450 k( 128) = ( 0.3238636 0.3238636 0.6477273), wk = 0.0024450 k( 129) = ( 0.3181818 0.3181818 0.6363636), wk = 0.0024450 k( 130) = ( 0.3125000 0.3125000 0.6250000), wk = 0.0024450 k( 131) = ( 0.3068182 0.3068182 0.6136364), wk = 0.0024450 k( 132) = ( 0.3011364 0.3011364 0.6022727), wk = 0.0024450 k( 133) = ( 0.2954545 0.2954545 0.5909091), wk = 0.0024450 k( 134) = ( 0.2897727 0.2897727 0.5795455), wk = 0.0024450 k( 135) = ( 0.2840909 0.2840909 0.5681818), wk = 0.0024450 k( 136) = ( 0.2784091 0.2784091 0.5568182), wk = 0.0024450 k( 137) = ( 0.2727273 0.2727273 0.5454545), wk = 0.0024450 k( 138) = ( 0.2670455 0.2670455 0.5340909), wk = 0.0024450 k( 139) = ( 0.2613636 0.2613636 0.5227273), wk = 0.0024450 k( 140) = ( 0.2556818 0.2556818 0.5113636), wk = 0.0024450 k( 141) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0024450 k( 142) = ( 0.2443182 0.2443182 0.4886364), wk = 0.0024450 k( 143) = ( 0.2386364 0.2386364 0.4772727), wk = 0.0024450 k( 144) = ( 0.2329546 0.2329546 0.4659091), wk = 0.0024450 k( 145) = ( 0.2272727 0.2272727 0.4545455), wk = 0.0024450 k( 146) = ( 0.2215909 0.2215909 0.4431818), wk = 0.0024450 k( 147) = ( 0.2159091 0.2159091 0.4318182), wk = 0.0024450 k( 148) = ( 0.2102273 0.2102273 0.4204545), wk = 0.0024450 k( 149) = ( 0.2045454 0.2045454 0.4090909), wk = 0.0024450 k( 150) = ( 0.1988636 0.1988636 0.3977273), wk = 0.0024450 k( 151) = ( 0.1931818 0.1931818 0.3863636), wk = 0.0024450 k( 152) = ( 0.1875000 0.1875000 0.3750000), wk = 0.0024450 k( 153) = ( 0.1818182 0.1818182 0.3636364), wk = 0.0024450 k( 154) = ( 0.1761364 0.1761364 0.3522727), wk = 0.0024450 k( 155) = ( 0.1704546 0.1704546 0.3409091), wk = 0.0024450 k( 156) = ( 0.1647727 0.1647727 0.3295455), wk = 0.0024450 k( 157) = ( 0.1590909 0.1590909 0.3181818), wk = 0.0024450 k( 158) = ( 0.1534091 0.1534091 0.3068182), wk = 0.0024450 k( 159) = ( 0.1477273 0.1477273 0.2954545), wk = 0.0024450 k( 160) = ( 0.1420454 0.1420454 0.2840909), wk = 0.0024450 k( 161) = ( 0.1363636 0.1363636 0.2727273), wk = 0.0024450 k( 162) = ( 0.1306818 0.1306818 0.2613636), wk = 0.0024450 k( 163) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0024450 k( 164) = ( 0.1193182 0.1193182 0.2386364), wk = 0.0024450 k( 165) = ( 0.1136364 0.1136364 0.2272727), wk = 0.0024450 k( 166) = ( 0.1079545 0.1079545 0.2159091), wk = 0.0024450 k( 167) = ( 0.1022727 0.1022727 0.2045454), wk = 0.0024450 k( 168) = ( 0.0965909 0.0965909 0.1931818), wk = 0.0024450 k( 169) = ( 0.0909091 0.0909091 0.1818182), wk = 0.0024450 k( 170) = ( 0.0852273 0.0852273 0.1704545), wk = 0.0024450 k( 171) = ( 0.0795455 0.0795455 0.1590909), wk = 0.0024450 k( 172) = ( 0.0738636 0.0738636 0.1477273), wk = 0.0024450 k( 173) = ( 0.0681818 0.0681818 0.1363636), wk = 0.0024450 k( 174) = ( 0.0625000 0.0625000 0.1250000), wk = 0.0024450 k( 175) = ( 0.0568182 0.0568182 0.1136364), wk = 0.0024450 k( 176) = ( 0.0511364 0.0511364 0.1022727), wk = 0.0024450 k( 177) = ( 0.0454546 0.0454546 0.0909091), wk = 0.0024450 k( 178) = ( 0.0397727 0.0397727 0.0795455), wk = 0.0024450 k( 179) = ( 0.0340909 0.0340909 0.0681818), wk = 0.0024450 k( 180) = ( 0.0284091 0.0284091 0.0568182), wk = 0.0024450 k( 181) = ( 0.0227273 0.0227273 0.0454546), wk = 0.0024450 k( 182) = ( 0.0170455 0.0170455 0.0340909), wk = 0.0024450 k( 183) = ( 0.0113636 0.0113636 0.0227273), wk = 0.0024450 k( 184) = ( 0.0056818 0.0056818 0.0113636), wk = 0.0024450 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024450 k( 186) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024450 k( 187) = ( 0.0092593 0.0092593 0.0092593), wk = 0.0024450 k( 188) = ( 0.0185185 0.0185185 0.0185185), wk = 0.0024450 k( 189) = ( 0.0277778 0.0277778 0.0277778), wk = 0.0024450 k( 190) = ( 0.0370370 0.0370370 0.0370370), wk = 0.0024450 k( 191) = ( 0.0462963 0.0462963 0.0462963), wk = 0.0024450 k( 192) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0024450 k( 193) = ( 0.0648148 0.0648148 0.0648148), wk = 0.0024450 k( 194) = ( 0.0740741 0.0740741 0.0740741), wk = 0.0024450 k( 195) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0024450 k( 196) = ( 0.0925926 0.0925926 0.0925926), wk = 0.0024450 k( 197) = ( 0.1018518 0.1018518 0.1018518), wk = 0.0024450 k( 198) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0024450 k( 199) = ( 0.1203704 0.1203704 0.1203704), wk = 0.0024450 k( 200) = ( 0.1296296 0.1296296 0.1296296), wk = 0.0024450 k( 201) = ( 0.1388889 0.1388889 0.1388889), wk = 0.0024450 k( 202) = ( 0.1481482 0.1481482 0.1481482), wk = 0.0024450 k( 203) = ( 0.1574074 0.1574074 0.1574074), wk = 0.0024450 k( 204) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0024450 k( 205) = ( 0.1759259 0.1759259 0.1759259), wk = 0.0024450 k( 206) = ( 0.1851852 0.1851852 0.1851852), wk = 0.0024450 k( 207) = ( 0.1944444 0.1944444 0.1944444), wk = 0.0024450 k( 208) = ( 0.2037037 0.2037037 0.2037037), wk = 0.0024450 k( 209) = ( 0.2129630 0.2129630 0.2129630), wk = 0.0024450 k( 210) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0024450 k( 211) = ( 0.2314815 0.2314815 0.2314815), wk = 0.0024450 k( 212) = ( 0.2407407 0.2407407 0.2407407), wk = 0.0024450 k( 213) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024450 k( 214) = ( 0.2592593 0.2592593 0.2592593), wk = 0.0024450 k( 215) = ( 0.2685185 0.2685185 0.2685185), wk = 0.0024450 k( 216) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0024450 k( 217) = ( 0.2870370 0.2870370 0.2870370), wk = 0.0024450 k( 218) = ( 0.2962963 0.2962963 0.2962963), wk = 0.0024450 k( 219) = ( 0.3055556 0.3055556 0.3055556), wk = 0.0024450 k( 220) = ( 0.3148148 0.3148148 0.3148148), wk = 0.0024450 k( 221) = ( 0.3240741 0.3240741 0.3240741), wk = 0.0024450 k( 222) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0024450 k( 223) = ( 0.3425926 0.3425926 0.3425926), wk = 0.0024450 k( 224) = ( 0.3518519 0.3518519 0.3518518), wk = 0.0024450 k( 225) = ( 0.3611111 0.3611111 0.3611111), wk = 0.0024450 k( 226) = ( 0.3703704 0.3703704 0.3703704), wk = 0.0024450 k( 227) = ( 0.3796296 0.3796296 0.3796296), wk = 0.0024450 k( 228) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0024450 k( 229) = ( 0.3981481 0.3981481 0.3981481), wk = 0.0024450 k( 230) = ( 0.4074074 0.4074074 0.4074074), wk = 0.0024450 k( 231) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0024450 k( 232) = ( 0.4259259 0.4259259 0.4259259), wk = 0.0024450 k( 233) = ( 0.4351852 0.4351852 0.4351852), wk = 0.0024450 k( 234) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0024450 k( 235) = ( 0.4537037 0.4537037 0.4537037), wk = 0.0024450 k( 236) = ( 0.4629630 0.4629630 0.4629630), wk = 0.0024450 k( 237) = ( 0.4722222 0.4722222 0.4722222), wk = 0.0024450 k( 238) = ( 0.4814815 0.4814815 0.4814815), wk = 0.0024450 k( 239) = ( 0.4907407 0.4907407 0.4907407), wk = 0.0024450 k( 240) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024450 k( 241) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024450 k( 242) = ( 0.5032895 0.4934211 0.5032895), wk = 0.0024450 k( 243) = ( 0.5065789 0.4868421 0.5065789), wk = 0.0024450 k( 244) = ( 0.5098684 0.4802632 0.5098684), wk = 0.0024450 k( 245) = ( 0.5131579 0.4736842 0.5131579), wk = 0.0024450 k( 246) = ( 0.5164474 0.4671053 0.5164474), wk = 0.0024450 k( 247) = ( 0.5197368 0.4605263 0.5197368), wk = 0.0024450 k( 248) = ( 0.5230263 0.4539474 0.5230263), wk = 0.0024450 k( 249) = ( 0.5263158 0.4473684 0.5263158), wk = 0.0024450 k( 250) = ( 0.5296053 0.4407895 0.5296053), wk = 0.0024450 k( 251) = ( 0.5328947 0.4342105 0.5328947), wk = 0.0024450 k( 252) = ( 0.5361842 0.4276316 0.5361842), wk = 0.0024450 k( 253) = ( 0.5394737 0.4210526 0.5394737), wk = 0.0024450 k( 254) = ( 0.5427632 0.4144737 0.5427632), wk = 0.0024450 k( 255) = ( 0.5460526 0.4078947 0.5460526), wk = 0.0024450 k( 256) = ( 0.5493421 0.4013158 0.5493421), wk = 0.0024450 k( 257) = ( 0.5526316 0.3947368 0.5526316), wk = 0.0024450 k( 258) = ( 0.5559211 0.3881579 0.5559211), wk = 0.0024450 k( 259) = ( 0.5592105 0.3815789 0.5592105), wk = 0.0024450 k( 260) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0024450 k( 261) = ( 0.5657895 0.3684211 0.5657895), wk = 0.0024450 k( 262) = ( 0.5690789 0.3618421 0.5690789), wk = 0.0024450 k( 263) = ( 0.5723684 0.3552632 0.5723684), wk = 0.0024450 k( 264) = ( 0.5756579 0.3486842 0.5756579), wk = 0.0024450 k( 265) = ( 0.5789474 0.3421053 0.5789474), wk = 0.0024450 k( 266) = ( 0.5822368 0.3355263 0.5822368), wk = 0.0024450 k( 267) = ( 0.5855263 0.3289474 0.5855263), wk = 0.0024450 k( 268) = ( 0.5888158 0.3223684 0.5888158), wk = 0.0024450 k( 269) = ( 0.5921053 0.3157895 0.5921053), wk = 0.0024450 k( 270) = ( 0.5953947 0.3092105 0.5953947), wk = 0.0024450 k( 271) = ( 0.5986842 0.3026316 0.5986842), wk = 0.0024450 k( 272) = ( 0.6019737 0.2960526 0.6019737), wk = 0.0024450 k( 273) = ( 0.6052632 0.2894737 0.6052632), wk = 0.0024450 k( 274) = ( 0.6085526 0.2828947 0.6085526), wk = 0.0024450 k( 275) = ( 0.6118421 0.2763158 0.6118421), wk = 0.0024450 k( 276) = ( 0.6151316 0.2697368 0.6151316), wk = 0.0024450 k( 277) = ( 0.6184211 0.2631579 0.6184210), wk = 0.0024450 k( 278) = ( 0.6217105 0.2565789 0.6217105), wk = 0.0024450 k( 279) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0024450 k( 280) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0024450 k( 281) = ( 0.6193182 0.2500000 0.6306818), wk = 0.0024450 k( 282) = ( 0.6136364 0.2500000 0.6363636), wk = 0.0024450 k( 283) = ( 0.6079545 0.2500000 0.6420455), wk = 0.0024450 k( 284) = ( 0.6022727 0.2500000 0.6477273), wk = 0.0024450 k( 285) = ( 0.5965909 0.2500000 0.6534091), wk = 0.0024450 k( 286) = ( 0.5909091 0.2500000 0.6590909), wk = 0.0024450 k( 287) = ( 0.5852273 0.2500000 0.6647727), wk = 0.0024450 k( 288) = ( 0.5795455 0.2500000 0.6704545), wk = 0.0024450 k( 289) = ( 0.5738636 0.2500000 0.6761364), wk = 0.0024450 k( 290) = ( 0.5681818 0.2500000 0.6818182), wk = 0.0024450 k( 291) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0024450 k( 292) = ( 0.5568182 0.2500000 0.6931818), wk = 0.0024450 k( 293) = ( 0.5511364 0.2500000 0.6988636), wk = 0.0024450 k( 294) = ( 0.5454545 0.2500000 0.7045455), wk = 0.0024450 k( 295) = ( 0.5397727 0.2500000 0.7102273), wk = 0.0024450 k( 296) = ( 0.5340909 0.2500000 0.7159091), wk = 0.0024450 k( 297) = ( 0.5284091 0.2500000 0.7215909), wk = 0.0024450 k( 298) = ( 0.5227273 0.2500000 0.7272727), wk = 0.0024450 k( 299) = ( 0.5170455 0.2500000 0.7329545), wk = 0.0024450 k( 300) = ( 0.5113636 0.2500000 0.7386364), wk = 0.0024450 k( 301) = ( 0.5056818 0.2500000 0.7443182), wk = 0.0024450 k( 302) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0024450 k( 303) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0024450 k( 304) = ( 0.5000000 0.2556818 0.7443182), wk = 0.0024450 k( 305) = ( 0.5000000 0.2613636 0.7386364), wk = 0.0024450 k( 306) = ( 0.5000000 0.2670455 0.7329545), wk = 0.0024450 k( 307) = ( 0.5000000 0.2727273 0.7272727), wk = 0.0024450 k( 308) = ( 0.5000000 0.2784091 0.7215909), wk = 0.0024450 k( 309) = ( 0.5000000 0.2840909 0.7159091), wk = 0.0024450 k( 310) = ( 0.5000000 0.2897727 0.7102273), wk = 0.0024450 k( 311) = ( 0.5000000 0.2954545 0.7045455), wk = 0.0024450 k( 312) = ( 0.5000000 0.3011364 0.6988636), wk = 0.0024450 k( 313) = ( 0.5000000 0.3068182 0.6931818), wk = 0.0024450 k( 314) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0024450 k( 315) = ( 0.5000000 0.3181818 0.6818182), wk = 0.0024450 k( 316) = ( 0.5000000 0.3238636 0.6761364), wk = 0.0024450 k( 317) = ( 0.5000000 0.3295455 0.6704545), wk = 0.0024450 k( 318) = ( 0.5000000 0.3352273 0.6647727), wk = 0.0024450 k( 319) = ( 0.5000000 0.3409091 0.6590909), wk = 0.0024450 k( 320) = ( 0.5000000 0.3465909 0.6534091), wk = 0.0024450 k( 321) = ( 0.5000000 0.3522727 0.6477273), wk = 0.0024450 k( 322) = ( 0.5000000 0.3579545 0.6420455), wk = 0.0024450 k( 323) = ( 0.5000000 0.3636364 0.6363636), wk = 0.0024450 k( 324) = ( 0.5000000 0.3693182 0.6306818), wk = 0.0024450 k( 325) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0024450 k( 326) = ( 0.5000000 0.3806818 0.6193182), wk = 0.0024450 k( 327) = ( 0.5000000 0.3863636 0.6136364), wk = 0.0024450 k( 328) = ( 0.5000000 0.3920455 0.6079545), wk = 0.0024450 k( 329) = ( 0.5000000 0.3977273 0.6022727), wk = 0.0024450 k( 330) = ( 0.5000000 0.4034091 0.5965909), wk = 0.0024450 k( 331) = ( 0.5000000 0.4090909 0.5909091), wk = 0.0024450 k( 332) = ( 0.5000000 0.4147727 0.5852273), wk = 0.0024450 k( 333) = ( 0.5000000 0.4204545 0.5795455), wk = 0.0024450 k( 334) = ( 0.5000000 0.4261364 0.5738636), wk = 0.0024450 k( 335) = ( 0.5000000 0.4318182 0.5681818), wk = 0.0024450 k( 336) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0024450 k( 337) = ( 0.5000000 0.4431818 0.5568182), wk = 0.0024450 k( 338) = ( 0.5000000 0.4488636 0.5511364), wk = 0.0024450 k( 339) = ( 0.5000000 0.4545455 0.5454545), wk = 0.0024450 k( 340) = ( 0.5000000 0.4602273 0.5397727), wk = 0.0024450 k( 341) = ( 0.5000000 0.4659091 0.5340909), wk = 0.0024450 k( 342) = ( 0.5000000 0.4715909 0.5284091), wk = 0.0024450 k( 343) = ( 0.5000000 0.4772727 0.5227273), wk = 0.0024450 k( 344) = ( 0.5000000 0.4829545 0.5170455), wk = 0.0024450 k( 345) = ( 0.5000000 0.4886364 0.5113636), wk = 0.0024450 k( 346) = ( 0.5000000 0.4943182 0.5056818), wk = 0.0024450 k( 347) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024450 k( 348) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024450 k( 349) = ( 0.4967105 0.4967105 0.5065789), wk = 0.0024450 k( 350) = ( 0.4934211 0.4934210 0.5131579), wk = 0.0024450 k( 351) = ( 0.4901316 0.4901316 0.5197368), wk = 0.0024450 k( 352) = ( 0.4868421 0.4868421 0.5263158), wk = 0.0024450 k( 353) = ( 0.4835526 0.4835526 0.5328947), wk = 0.0024450 k( 354) = ( 0.4802632 0.4802632 0.5394737), wk = 0.0024450 k( 355) = ( 0.4769737 0.4769737 0.5460526), wk = 0.0024450 k( 356) = ( 0.4736842 0.4736842 0.5526316), wk = 0.0024450 k( 357) = ( 0.4703947 0.4703947 0.5592105), wk = 0.0024450 k( 358) = ( 0.4671053 0.4671053 0.5657895), wk = 0.0024450 k( 359) = ( 0.4638158 0.4638158 0.5723684), wk = 0.0024450 k( 360) = ( 0.4605263 0.4605263 0.5789474), wk = 0.0024450 k( 361) = ( 0.4572368 0.4572368 0.5855263), wk = 0.0024450 k( 362) = ( 0.4539474 0.4539474 0.5921053), wk = 0.0024450 k( 363) = ( 0.4506579 0.4506579 0.5986842), wk = 0.0024450 k( 364) = ( 0.4473684 0.4473684 0.6052632), wk = 0.0024450 k( 365) = ( 0.4440789 0.4440789 0.6118421), wk = 0.0024450 k( 366) = ( 0.4407895 0.4407895 0.6184211), wk = 0.0024450 k( 367) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0024450 k( 368) = ( 0.4342105 0.4342105 0.6315789), wk = 0.0024450 k( 369) = ( 0.4309211 0.4309210 0.6381579), wk = 0.0024450 k( 370) = ( 0.4276316 0.4276316 0.6447368), wk = 0.0024450 k( 371) = ( 0.4243421 0.4243421 0.6513158), wk = 0.0024450 k( 372) = ( 0.4210526 0.4210526 0.6578947), wk = 0.0024450 k( 373) = ( 0.4177632 0.4177632 0.6644737), wk = 0.0024450 k( 374) = ( 0.4144737 0.4144737 0.6710526), wk = 0.0024450 k( 375) = ( 0.4111842 0.4111842 0.6776316), wk = 0.0024450 k( 376) = ( 0.4078947 0.4078947 0.6842105), wk = 0.0024450 k( 377) = ( 0.4046053 0.4046053 0.6907895), wk = 0.0024450 k( 378) = ( 0.4013158 0.4013158 0.6973684), wk = 0.0024450 k( 379) = ( 0.3980263 0.3980263 0.7039474), wk = 0.0024450 k( 380) = ( 0.3947368 0.3947368 0.7105263), wk = 0.0024450 k( 381) = ( 0.3914474 0.3914474 0.7171053), wk = 0.0024450 k( 382) = ( 0.3881579 0.3881579 0.7236842), wk = 0.0024450 k( 383) = ( 0.3848684 0.3848684 0.7302632), wk = 0.0024450 k( 384) = ( 0.3815789 0.3815789 0.7368421), wk = 0.0024450 k( 385) = ( 0.3782895 0.3782895 0.7434211), wk = 0.0024450 k( 386) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0024450 k( 387) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0024450 k( 388) = ( 0.6193182 0.2386364 0.6193182), wk = 0.0024450 k( 389) = ( 0.6136364 0.2272727 0.6136364), wk = 0.0024450 k( 390) = ( 0.6079545 0.2159091 0.6079545), wk = 0.0024450 k( 391) = ( 0.6022727 0.2045454 0.6022727), wk = 0.0024450 k( 392) = ( 0.5965909 0.1931818 0.5965909), wk = 0.0024450 k( 393) = ( 0.5909091 0.1818182 0.5909091), wk = 0.0024450 k( 394) = ( 0.5852273 0.1704546 0.5852273), wk = 0.0024450 k( 395) = ( 0.5795455 0.1590909 0.5795455), wk = 0.0024450 k( 396) = ( 0.5738636 0.1477273 0.5738636), wk = 0.0024450 k( 397) = ( 0.5681818 0.1363636 0.5681818), wk = 0.0024450 k( 398) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0024450 k( 399) = ( 0.5568182 0.1136364 0.5568182), wk = 0.0024450 k( 400) = ( 0.5511364 0.1022727 0.5511364), wk = 0.0024450 k( 401) = ( 0.5454545 0.0909091 0.5454545), wk = 0.0024450 k( 402) = ( 0.5397727 0.0795455 0.5397727), wk = 0.0024450 k( 403) = ( 0.5340909 0.0681818 0.5340909), wk = 0.0024450 k( 404) = ( 0.5284091 0.0568182 0.5284091), wk = 0.0024450 k( 405) = ( 0.5227273 0.0454546 0.5227273), wk = 0.0024450 k( 406) = ( 0.5170455 0.0340909 0.5170455), wk = 0.0024450 k( 407) = ( 0.5113636 0.0227273 0.5113636), wk = 0.0024450 k( 408) = ( 0.5056818 0.0113636 0.5056818), wk = 0.0024450 k( 409) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024450 Dense grid: 22219 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 10081 G-vectors FFT dimensions: ( 32, 32, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 80, 32) NL pseudopotentials 0.04 Mb ( 40, 62) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.00 Mb ( 619) G-vector shells 0.00 Mb ( 208) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.16 Mb ( 80, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.06 Mb ( 62, 2, 32) The potential is recalculated from file : ./HfO2.save/charge-density.dat Starting wfc are 36 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 1.8 secs Computing kpt #: 3 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2.4 secs Computing kpt #: 4 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3.0 secs Computing kpt #: 5 total cpu time spent up to now is 3.2 secs Computing kpt #: 6 total cpu time spent up to now is 3.5 secs Computing kpt #: 7 total cpu time spent up to now is 3.8 secs Computing kpt #: 8 total cpu time spent up to now is 4.1 secs Computing kpt #: 9 total cpu time spent up to now is 4.5 secs Computing kpt #: 10 total cpu time spent up to now is 4.7 secs Computing kpt #: 11 total cpu time spent up to now is 4.9 secs Computing kpt #: 12 total cpu time spent up to now is 5.1 secs Computing kpt #: 13 total cpu time spent up to now is 5.3 secs Computing kpt #: 14 total cpu time spent up to now is 5.5 secs Computing kpt #: 15 total cpu time spent up to now is 5.6 secs Computing kpt #: 16 total cpu time spent up to now is 5.8 secs Computing kpt #: 17 total cpu time spent up to now is 6.0 secs Computing kpt #: 18 total cpu time spent up to now is 6.1 secs Computing kpt #: 19 total cpu time spent up to now is 6.3 secs Computing kpt #: 20 total cpu time spent up to now is 6.5 secs Computing kpt #: 21 total cpu time spent up to now is 6.6 secs Computing kpt #: 22 total cpu time spent up to now is 6.8 secs Computing kpt #: 23 total cpu time spent up to now is 6.9 secs Computing kpt #: 24 total cpu time spent up to now is 7.1 secs Computing kpt #: 25 total cpu time spent up to now is 7.2 secs Computing kpt #: 26 total cpu time spent up to now is 7.3 secs Computing kpt #: 27 total cpu time spent up to now is 7.5 secs Computing kpt #: 28 total cpu time spent up to now is 7.6 secs Computing kpt #: 29 total cpu time spent up to now is 7.8 secs Computing kpt #: 30 total cpu time spent up to now is 7.9 secs Computing kpt #: 31 total cpu time spent up to now is 8.1 secs Computing kpt #: 32 total cpu time spent up to now is 8.2 secs Computing kpt #: 33 total cpu time spent up to now is 8.4 secs Computing kpt #: 34 total cpu time spent up to now is 8.5 secs Computing kpt #: 35 total cpu time spent up to now is 8.7 secs Computing kpt #: 36 total cpu time spent up to now is 8.8 secs Computing kpt #: 37 total cpu time spent up to now is 8.9 secs Computing kpt #: 38 total cpu time spent up to now is 9.1 secs Computing kpt #: 39 total cpu time spent up to now is 9.2 secs Computing kpt #: 40 total cpu time spent up to now is 9.3 secs Computing kpt #: 41 total cpu time spent up to now is 9.5 secs Computing kpt #: 42 total cpu time spent up to now is 9.6 secs Computing kpt #: 43 total cpu time spent up to now is 9.7 secs Computing kpt #: 44 total cpu time spent up to now is 9.9 secs Computing kpt #: 45 total cpu time spent up to now is 10.0 secs Computing kpt #: 46 total cpu time spent up to now is 10.1 secs Computing kpt #: 47 total cpu time spent up to now is 10.2 secs Computing kpt #: 48 total cpu time spent up to now is 10.4 secs Computing kpt #: 49 total cpu time spent up to now is 10.5 secs Computing kpt #: 50 total cpu time spent up to now is 10.6 secs Computing kpt #: 51 total cpu time spent up to now is 10.8 secs Computing kpt #: 52 total cpu time spent up to now is 10.9 secs Computing kpt #: 53 total cpu time spent up to now is 11.0 secs Computing kpt #: 54 total cpu time spent up to now is 11.1 secs Computing kpt #: 55 total cpu time spent up to now is 11.3 secs Computing kpt #: 56 total cpu time spent up to now is 11.4 secs Computing kpt #: 57 total cpu time spent up to now is 11.5 secs Computing kpt #: 58 total cpu time spent up to now is 11.6 secs Computing kpt #: 59 total cpu time spent up to now is 11.8 secs Computing kpt #: 60 total cpu time spent up to now is 11.9 secs Computing kpt #: 61 total cpu time spent up to now is 12.0 secs Computing kpt #: 62 total cpu time spent up to now is 12.1 secs Computing kpt #: 63 total cpu time spent up to now is 12.3 secs Computing kpt #: 64 total cpu time spent up to now is 12.4 secs Computing kpt #: 65 total cpu time spent up to now is 12.5 secs Computing kpt #: 66 total cpu time spent up to now is 12.6 secs Computing kpt #: 67 total cpu time spent up to now is 12.8 secs Computing kpt #: 68 total cpu time spent up to now is 12.9 secs Computing kpt #: 69 total cpu time spent up to now is 13.0 secs Computing kpt #: 70 total cpu time spent up to now is 13.2 secs Computing kpt #: 71 total cpu time spent up to now is 13.3 secs Computing kpt #: 72 total cpu time spent up to now is 13.4 secs Computing kpt #: 73 total cpu time spent up to now is 13.5 secs Computing kpt #: 74 total cpu time spent up to now is 13.7 secs Computing kpt #: 75 total cpu time spent up to now is 13.8 secs Computing kpt #: 76 total cpu time spent up to now is 14.0 secs Computing kpt #: 77 total cpu time spent up to now is 14.1 secs Computing kpt #: 78 total cpu time spent up to now is 14.2 secs Computing kpt #: 79 total cpu time spent up to now is 14.4 secs Computing kpt #: 80 total cpu time spent up to now is 14.5 secs Computing kpt #: 81 total cpu time spent up to now is 14.6 secs Computing kpt #: 82 total cpu time spent up to now is 14.8 secs Computing kpt #: 83 total cpu time spent up to now is 14.9 secs Computing kpt #: 84 total cpu time spent up to now is 15.0 secs Computing kpt #: 85 total cpu time spent up to now is 15.2 secs Computing kpt #: 86 total cpu time spent up to now is 15.3 secs Computing kpt #: 87 total cpu time spent up to now is 15.4 secs Computing kpt #: 88 total cpu time spent up to now is 15.6 secs Computing kpt #: 89 total cpu time spent up to now is 15.7 secs Computing kpt #: 90 total cpu time spent up to now is 15.8 secs Computing kpt #: 91 total cpu time spent up to now is 16.0 secs Computing kpt #: 92 total cpu time spent up to now is 16.1 secs Computing kpt #: 93 total cpu time spent up to now is 16.2 secs Computing kpt #: 94 total cpu time spent up to now is 16.3 secs Computing kpt #: 95 total cpu time spent up to now is 16.5 secs Computing kpt #: 96 total cpu time spent up to now is 16.6 secs Computing kpt #: 97 total cpu time spent up to now is 16.7 secs Computing kpt #: 98 total cpu time spent up to now is 16.9 secs Computing kpt #: 99 total cpu time spent up to now is 17.0 secs Computing kpt #: 100 total cpu time spent up to now is 17.1 secs Computing kpt #: 101 total cpu time spent up to now is 17.2 secs Computing kpt #: 102 total cpu time spent up to now is 17.4 secs Computing kpt #: 103 total cpu time spent up to now is 17.5 secs Computing kpt #: 104 total cpu time spent up to now is 17.6 secs Computing kpt #: 105 total cpu time spent up to now is 17.8 secs Computing kpt #: 106 total cpu time spent up to now is 17.9 secs Computing kpt #: 107 total cpu time spent up to now is 18.0 secs Computing kpt #: 108 total cpu time spent up to now is 18.2 secs Computing kpt #: 109 total cpu time spent up to now is 18.3 secs Computing kpt #: 110 total cpu time spent up to now is 18.4 secs Computing kpt #: 111 total cpu time spent up to now is 18.5 secs Computing kpt #: 112 total cpu time spent up to now is 18.7 secs Computing kpt #: 113 total cpu time spent up to now is 18.8 secs Computing kpt #: 114 total cpu time spent up to now is 18.9 secs Computing kpt #: 115 total cpu time spent up to now is 19.1 secs Computing kpt #: 116 total cpu time spent up to now is 19.2 secs Computing kpt #: 117 total cpu time spent up to now is 19.3 secs Computing kpt #: 118 total cpu time spent up to now is 19.4 secs Computing kpt #: 119 total cpu time spent up to now is 19.6 secs Computing kpt #: 120 total cpu time spent up to now is 19.7 secs Computing kpt #: 121 total cpu time spent up to now is 19.8 secs Computing kpt #: 122 total cpu time spent up to now is 19.9 secs Computing kpt #: 123 total cpu time spent up to now is 20.1 secs Computing kpt #: 124 total cpu time spent up to now is 20.2 secs Computing kpt #: 125 total cpu time spent up to now is 20.3 secs Computing kpt #: 126 total cpu time spent up to now is 20.4 secs Computing kpt #: 127 total cpu time spent up to now is 20.5 secs Computing kpt #: 128 total cpu time spent up to now is 20.7 secs Computing kpt #: 129 total cpu time spent up to now is 20.8 secs Computing kpt #: 130 total cpu time spent up to now is 20.9 secs Computing kpt #: 131 total cpu time spent up to now is 21.0 secs Computing kpt #: 132 total cpu time spent up to now is 21.2 secs Computing kpt #: 133 total cpu time spent up to now is 21.3 secs Computing kpt #: 134 total cpu time spent up to now is 21.4 secs Computing kpt #: 135 total cpu time spent up to now is 21.5 secs Computing kpt #: 136 total cpu time spent up to now is 21.7 secs Computing kpt #: 137 total cpu time spent up to now is 21.8 secs Computing kpt #: 138 total cpu time spent up to now is 21.9 secs Computing kpt #: 139 total cpu time spent up to now is 22.0 secs Computing kpt #: 140 total cpu time spent up to now is 22.2 secs Computing kpt #: 141 total cpu time spent up to now is 22.3 secs Computing kpt #: 142 total cpu time spent up to now is 22.4 secs Computing kpt #: 143 total cpu time spent up to now is 22.5 secs Computing kpt #: 144 total cpu time spent up to now is 22.6 secs Computing kpt #: 145 total cpu time spent up to now is 22.8 secs Computing kpt #: 146 total cpu time spent up to now is 22.9 secs Computing kpt #: 147 total cpu time spent up to now is 23.0 secs Computing kpt #: 148 total cpu time spent up to now is 23.1 secs Computing kpt #: 149 total cpu time spent up to now is 23.3 secs Computing kpt #: 150 total cpu time spent up to now is 23.4 secs Computing kpt #: 151 total cpu time spent up to now is 23.5 secs Computing kpt #: 152 total cpu time spent up to now is 23.6 secs Computing kpt #: 153 total cpu time spent up to now is 23.8 secs Computing kpt #: 154 total cpu time spent up to now is 23.9 secs Computing kpt #: 155 total cpu time spent up to now is 24.0 secs Computing kpt #: 156 total cpu time spent up to now is 24.1 secs Computing kpt #: 157 total cpu time spent up to now is 24.3 secs Computing kpt #: 158 total cpu time spent up to now is 24.4 secs Computing kpt #: 159 total cpu time spent up to now is 24.5 secs Computing kpt #: 160 total cpu time spent up to now is 24.7 secs Computing kpt #: 161 total cpu time spent up to now is 24.8 secs Computing kpt #: 162 total cpu time spent up to now is 24.9 secs Computing kpt #: 163 total cpu time spent up to now is 25.1 secs Computing kpt #: 164 total cpu time spent up to now is 25.2 secs Computing kpt #: 165 total cpu time spent up to now is 25.3 secs Computing kpt #: 166 total cpu time spent up to now is 25.5 secs Computing kpt #: 167 total cpu time spent up to now is 25.6 secs Computing kpt #: 168 total cpu time spent up to now is 25.8 secs Computing kpt #: 169 total cpu time spent up to now is 25.9 secs Computing kpt #: 170 total cpu time spent up to now is 26.1 secs Computing kpt #: 171 total cpu time spent up to now is 26.2 secs Computing kpt #: 172 total cpu time spent up to now is 26.3 secs Computing kpt #: 173 total cpu time spent up to now is 26.5 secs Computing kpt #: 174 total cpu time spent up to now is 26.7 secs Computing kpt #: 175 total cpu time spent up to now is 26.8 secs Computing kpt #: 176 total cpu time spent up to now is 27.0 secs Computing kpt #: 177 total cpu time spent up to now is 27.2 secs Computing kpt #: 178 total cpu time spent up to now is 27.5 secs Computing kpt #: 179 total cpu time spent up to now is 27.7 secs Computing kpt #: 180 total cpu time spent up to now is 28.0 secs Computing kpt #: 181 total cpu time spent up to now is 28.2 secs Computing kpt #: 182 total cpu time spent up to now is 28.5 secs Computing kpt #: 183 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 29.0 secs Computing kpt #: 184 total cpu time spent up to now is 29.1 secs Computing kpt #: 185 total cpu time spent up to now is 29.2 secs Computing kpt #: 186 total cpu time spent up to now is 29.4 secs Computing kpt #: 187 total cpu time spent up to now is 29.6 secs Computing kpt #: 188 total cpu time spent up to now is 29.7 secs Computing kpt #: 189 total cpu time spent up to now is 30.3 secs Computing kpt #: 190 total cpu time spent up to now is 30.5 secs Computing kpt #: 191 total cpu time spent up to now is 30.8 secs Computing kpt #: 192 total cpu time spent up to now is 31.0 secs Computing kpt #: 193 total cpu time spent up to now is 31.1 secs Computing kpt #: 194 total cpu time spent up to now is 31.3 secs Computing kpt #: 195 total cpu time spent up to now is 31.5 secs Computing kpt #: 196 total cpu time spent up to now is 31.7 secs Computing kpt #: 197 total cpu time spent up to now is 31.9 secs Computing kpt #: 198 total cpu time spent up to now is 32.0 secs Computing kpt #: 199 total cpu time spent up to now is 32.2 secs Computing kpt #: 200 total cpu time spent up to now is 32.3 secs Computing kpt #: 201 total cpu time spent up to now is 32.5 secs Computing kpt #: 202 total cpu time spent up to now is 32.6 secs Computing kpt #: 203 total cpu time spent up to now is 32.8 secs Computing kpt #: 204 total cpu time spent up to now is 32.9 secs Computing kpt #: 205 total cpu time spent up to now is 33.1 secs Computing kpt #: 206 total cpu time spent up to now is 33.2 secs Computing kpt #: 207 total cpu time spent up to now is 33.4 secs Computing kpt #: 208 total cpu time spent up to now is 33.5 secs Computing kpt #: 209 total cpu time spent up to now is 33.6 secs Computing kpt #: 210 total cpu time spent up to now is 33.8 secs Computing kpt #: 211 total cpu time spent up to now is 33.9 secs Computing kpt #: 212 total cpu time spent up to now is 34.0 secs Computing kpt #: 213 total cpu time spent up to now is 34.2 secs Computing kpt #: 214 total cpu time spent up to now is 34.3 secs Computing kpt #: 215 total cpu time spent up to now is 34.4 secs Computing kpt #: 216 total cpu time spent up to now is 34.6 secs Computing kpt #: 217 total cpu time spent up to now is 34.7 secs Computing kpt #: 218 total cpu time spent up to now is 34.9 secs Computing kpt #: 219 total cpu time spent up to now is 35.0 secs Computing kpt #: 220 total cpu time spent up to now is 35.1 secs Computing kpt #: 221 total cpu time spent up to now is 35.3 secs Computing kpt #: 222 total cpu time spent up to now is 35.4 secs Computing kpt #: 223 total cpu time spent up to now is 35.5 secs Computing kpt #: 224 total cpu time spent up to now is 35.6 secs Computing kpt #: 225 total cpu time spent up to now is 35.8 secs Computing kpt #: 226 total cpu time spent up to now is 35.9 secs Computing kpt #: 227 total cpu time spent up to now is 36.0 secs Computing kpt #: 228 total cpu time spent up to now is 36.1 secs Computing kpt #: 229 total cpu time spent up to now is 36.3 secs Computing kpt #: 230 total cpu time spent up to now is 36.4 secs Computing kpt #: 231 total cpu time spent up to now is 36.5 secs Computing kpt #: 232 total cpu time spent up to now is 36.7 secs Computing kpt #: 233 total cpu time spent up to now is 36.8 secs Computing kpt #: 234 total cpu time spent up to now is 36.9 secs Computing kpt #: 235 total cpu time spent up to now is 37.0 secs Computing kpt #: 236 total cpu time spent up to now is 37.2 secs Computing kpt #: 237 total cpu time spent up to now is 37.3 secs Computing kpt #: 238 total cpu time spent up to now is 37.5 secs Computing kpt #: 239 total cpu time spent up to now is 37.6 secs Computing kpt #: 240 total cpu time spent up to now is 37.7 secs Computing kpt #: 241 total cpu time spent up to now is 37.9 secs Computing kpt #: 242 total cpu time spent up to now is 38.0 secs Computing kpt #: 243 total cpu time spent up to now is 38.1 secs Computing kpt #: 244 total cpu time spent up to now is 38.3 secs Computing kpt #: 245 total cpu time spent up to now is 38.4 secs Computing kpt #: 246 total cpu time spent up to now is 38.5 secs Computing kpt #: 247 total cpu time spent up to now is 38.7 secs Computing kpt #: 248 total cpu time spent up to now is 38.8 secs Computing kpt #: 249 total cpu time spent up to now is 38.9 secs Computing kpt #: 250 total cpu time spent up to now is 39.1 secs Computing kpt #: 251 total cpu time spent up to now is 39.2 secs Computing kpt #: 252 total cpu time spent up to now is 39.3 secs Computing kpt #: 253 total cpu time spent up to now is 39.4 secs Computing kpt #: 254 total cpu time spent up to now is 39.6 secs Computing kpt #: 255 total cpu time spent up to now is 39.7 secs Computing kpt #: 256 total cpu time spent up to now is 39.8 secs Computing kpt #: 257 total cpu time spent up to now is 40.0 secs Computing kpt #: 258 total cpu time spent up to now is 40.1 secs Computing kpt #: 259 total cpu time spent up to now is 40.2 secs Computing kpt #: 260 total cpu time spent up to now is 40.3 secs Computing kpt #: 261 total cpu time spent up to now is 40.5 secs Computing kpt #: 262 total cpu time spent up to now is 40.6 secs Computing kpt #: 263 total cpu time spent up to now is 40.7 secs Computing kpt #: 264 total cpu time spent up to now is 40.9 secs Computing kpt #: 265 total cpu time spent up to now is 41.0 secs Computing kpt #: 266 total cpu time spent up to now is 41.1 secs Computing kpt #: 267 total cpu time spent up to now is 41.2 secs Computing kpt #: 268 total cpu time spent up to now is 41.4 secs Computing kpt #: 269 total cpu time spent up to now is 41.5 secs Computing kpt #: 270 total cpu time spent up to now is 41.6 secs Computing kpt #: 271 total cpu time spent up to now is 41.7 secs Computing kpt #: 272 total cpu time spent up to now is 41.9 secs Computing kpt #: 273 total cpu time spent up to now is 42.0 secs Computing kpt #: 274 total cpu time spent up to now is 42.1 secs Computing kpt #: 275 total cpu time spent up to now is 42.2 secs Computing kpt #: 276 total cpu time spent up to now is 42.4 secs Computing kpt #: 277 total cpu time spent up to now is 42.5 secs Computing kpt #: 278 total cpu time spent up to now is 42.6 secs Computing kpt #: 279 total cpu time spent up to now is 42.7 secs Computing kpt #: 280 total cpu time spent up to now is 42.9 secs Computing kpt #: 281 total cpu time spent up to now is 43.0 secs Computing kpt #: 282 total cpu time spent up to now is 43.1 secs Computing kpt #: 283 total cpu time spent up to now is 43.2 secs Computing kpt #: 284 total cpu time spent up to now is 43.4 secs Computing kpt #: 285 total cpu time spent up to now is 43.5 secs Computing kpt #: 286 total cpu time spent up to now is 43.6 secs Computing kpt #: 287 total cpu time spent up to now is 43.7 secs Computing kpt #: 288 total cpu time spent up to now is 43.9 secs Computing kpt #: 289 total cpu time spent up to now is 44.0 secs Computing kpt #: 290 total cpu time spent up to now is 44.1 secs Computing kpt #: 291 total cpu time spent up to now is 44.3 secs Computing kpt #: 292 total cpu time spent up to now is 44.4 secs Computing kpt #: 293 total cpu time spent up to now is 44.5 secs Computing kpt #: 294 total cpu time spent up to now is 44.7 secs Computing kpt #: 295 total cpu time spent up to now is 44.8 secs Computing kpt #: 296 total cpu time spent up to now is 44.9 secs Computing kpt #: 297 total cpu time spent up to now is 45.1 secs Computing kpt #: 298 total cpu time spent up to now is 45.2 secs Computing kpt #: 299 total cpu time spent up to now is 45.3 secs Computing kpt #: 300 total cpu time spent up to now is 45.5 secs Computing kpt #: 301 total cpu time spent up to now is 45.6 secs Computing kpt #: 302 total cpu time spent up to now is 45.7 secs Computing kpt #: 303 total cpu time spent up to now is 45.9 secs Computing kpt #: 304 total cpu time spent up to now is 46.0 secs Computing kpt #: 305 total cpu time spent up to now is 46.1 secs Computing kpt #: 306 total cpu time spent up to now is 46.2 secs Computing kpt #: 307 total cpu time spent up to now is 46.4 secs Computing kpt #: 308 total cpu time spent up to now is 46.5 secs Computing kpt #: 309 total cpu time spent up to now is 46.6 secs Computing kpt #: 310 total cpu time spent up to now is 46.8 secs Computing kpt #: 311 total cpu time spent up to now is 46.9 secs Computing kpt #: 312 total cpu time spent up to now is 47.0 secs Computing kpt #: 313 total cpu time spent up to now is 47.2 secs Computing kpt #: 314 total cpu time spent up to now is 47.3 secs Computing kpt #: 315 total cpu time spent up to now is 47.4 secs Computing kpt #: 316 total cpu time spent up to now is 47.5 secs Computing kpt #: 317 total cpu time spent up to now is 47.7 secs Computing kpt #: 318 total cpu time spent up to now is 47.8 secs Computing kpt #: 319 total cpu time spent up to now is 47.9 secs Computing kpt #: 320 total cpu time spent up to now is 48.1 secs Computing kpt #: 321 total cpu time spent up to now is 48.2 secs Computing kpt #: 322 total cpu time spent up to now is 48.3 secs Computing kpt #: 323 total cpu time spent up to now is 48.4 secs Computing kpt #: 324 total cpu time spent up to now is 48.6 secs Computing kpt #: 325 total cpu time spent up to now is 48.7 secs Computing kpt #: 326 total cpu time spent up to now is 48.8 secs Computing kpt #: 327 total cpu time spent up to now is 49.0 secs Computing kpt #: 328 total cpu time spent up to now is 49.1 secs Computing kpt #: 329 total cpu time spent up to now is 49.2 secs Computing kpt #: 330 total cpu time spent up to now is 49.3 secs Computing kpt #: 331 total cpu time spent up to now is 49.5 secs Computing kpt #: 332 total cpu time spent up to now is 49.6 secs Computing kpt #: 333 total cpu time spent up to now is 49.7 secs Computing kpt #: 334 total cpu time spent up to now is 49.9 secs Computing kpt #: 335 total cpu time spent up to now is 50.0 secs Computing kpt #: 336 total cpu time spent up to now is 50.1 secs Computing kpt #: 337 total cpu time spent up to now is 50.3 secs Computing kpt #: 338 total cpu time spent up to now is 50.4 secs Computing kpt #: 339 total cpu time spent up to now is 50.5 secs Computing kpt #: 340 total cpu time spent up to now is 50.7 secs Computing kpt #: 341 total cpu time spent up to now is 50.8 secs Computing kpt #: 342 total cpu time spent up to now is 50.9 secs Computing kpt #: 343 total cpu time spent up to now is 51.1 secs Computing kpt #: 344 total cpu time spent up to now is 51.2 secs Computing kpt #: 345 total cpu time spent up to now is 51.3 secs Computing kpt #: 346 total cpu time spent up to now is 51.4 secs Computing kpt #: 347 total cpu time spent up to now is 51.6 secs Computing kpt #: 348 total cpu time spent up to now is 51.7 secs Computing kpt #: 349 total cpu time spent up to now is 51.9 secs Computing kpt #: 350 total cpu time spent up to now is 52.0 secs Computing kpt #: 351 total cpu time spent up to now is 52.1 secs Computing kpt #: 352 total cpu time spent up to now is 52.3 secs Computing kpt #: 353 total cpu time spent up to now is 52.4 secs Computing kpt #: 354 total cpu time spent up to now is 52.5 secs Computing kpt #: 355 total cpu time spent up to now is 52.6 secs Computing kpt #: 356 total cpu time spent up to now is 52.8 secs Computing kpt #: 357 total cpu time spent up to now is 52.9 secs Computing kpt #: 358 total cpu time spent up to now is 53.0 secs Computing kpt #: 359 total cpu time spent up to now is 53.2 secs Computing kpt #: 360 total cpu time spent up to now is 53.3 secs Computing kpt #: 361 total cpu time spent up to now is 53.4 secs Computing kpt #: 362 total cpu time spent up to now is 53.6 secs Computing kpt #: 363 total cpu time spent up to now is 53.7 secs Computing kpt #: 364 total cpu time spent up to now is 53.8 secs Computing kpt #: 365 total cpu time spent up to now is 53.9 secs Computing kpt #: 366 total cpu time spent up to now is 54.1 secs Computing kpt #: 367 total cpu time spent up to now is 54.2 secs Computing kpt #: 368 total cpu time spent up to now is 54.3 secs Computing kpt #: 369 total cpu time spent up to now is 54.5 secs Computing kpt #: 370 total cpu time spent up to now is 54.6 secs Computing kpt #: 371 total cpu time spent up to now is 54.7 secs Computing kpt #: 372 total cpu time spent up to now is 54.8 secs Computing kpt #: 373 total cpu time spent up to now is 55.0 secs Computing kpt #: 374 total cpu time spent up to now is 55.1 secs Computing kpt #: 375 total cpu time spent up to now is 55.2 secs Computing kpt #: 376 total cpu time spent up to now is 55.4 secs Computing kpt #: 377 total cpu time spent up to now is 55.5 secs Computing kpt #: 378 total cpu time spent up to now is 55.6 secs Computing kpt #: 379 total cpu time spent up to now is 55.7 secs Computing kpt #: 380 total cpu time spent up to now is 55.9 secs Computing kpt #: 381 total cpu time spent up to now is 56.0 secs Computing kpt #: 382 total cpu time spent up to now is 56.1 secs Computing kpt #: 383 total cpu time spent up to now is 56.2 secs Computing kpt #: 384 total cpu time spent up to now is 56.4 secs Computing kpt #: 385 total cpu time spent up to now is 56.5 secs Computing kpt #: 386 total cpu time spent up to now is 56.6 secs Computing kpt #: 387 total cpu time spent up to now is 56.7 secs Computing kpt #: 388 total cpu time spent up to now is 56.9 secs Computing kpt #: 389 total cpu time spent up to now is 57.0 secs Computing kpt #: 390 total cpu time spent up to now is 57.1 secs Computing kpt #: 391 total cpu time spent up to now is 57.2 secs Computing kpt #: 392 total cpu time spent up to now is 57.4 secs Computing kpt #: 393 total cpu time spent up to now is 57.5 secs Computing kpt #: 394 total cpu time spent up to now is 57.6 secs Computing kpt #: 395 total cpu time spent up to now is 57.8 secs Computing kpt #: 396 total cpu time spent up to now is 57.9 secs Computing kpt #: 397 total cpu time spent up to now is 58.0 secs Computing kpt #: 398 total cpu time spent up to now is 58.1 secs Computing kpt #: 399 total cpu time spent up to now is 58.3 secs Computing kpt #: 400 total cpu time spent up to now is 58.4 secs Computing kpt #: 401 total cpu time spent up to now is 58.5 secs Computing kpt #: 402 total cpu time spent up to now is 58.7 secs Computing kpt #: 403 total cpu time spent up to now is 58.8 secs Computing kpt #: 404 total cpu time spent up to now is 58.9 secs Computing kpt #: 405 total cpu time spent up to now is 59.1 secs Computing kpt #: 406 total cpu time spent up to now is 59.2 secs Computing kpt #: 407 total cpu time spent up to now is 59.3 secs Computing kpt #: 408 total cpu time spent up to now is 59.4 secs Computing kpt #: 409 total cpu time spent up to now is 59.6 secs ethr = 4.17E-08, avg # of iterations = 19.3 total cpu time spent up to now is 59.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1243 PWs) bands (ev): -49.1797 -49.1797 -23.3794 -23.3794 -15.5588 -15.5588 -15.5588 -15.5588 -6.6273 -6.6273 -3.7819 -3.7819 6.7403 6.7403 6.7403 6.7403 6.7816 6.7816 11.1538 11.1538 11.3146 11.3146 11.3146 11.3146 15.8102 15.8102 15.8102 15.8102 17.5702 17.5702 21.9662 21.9662 k = 0.0081-0.0047 0.0066 ( 1243 PWs) bands (ev): -49.1796 -49.1796 -23.3795 -23.3795 -15.5591 -15.5591 -15.5589 -15.5589 -6.6261 -6.6261 -3.7828 -3.7828 6.7409 6.7409 6.7423 6.7423 6.7829 6.7829 11.1518 11.1518 11.3103 11.3103 11.3148 11.3148 15.8110 15.8110 15.8128 15.8128 17.5741 17.5741 21.9631 21.9640 k = 0.0161-0.0093 0.0132 ( 1243 PWs) bands (ev): -49.1796 -49.1796 -23.3797 -23.3797 -15.5601 -15.5601 -15.5592 -15.5592 -6.6226 -6.6226 -3.7856 -3.7856 6.7427 6.7427 6.7480 6.7480 6.7873 6.7873 11.1449 11.1449 11.2983 11.2983 11.3154 11.3154 15.8134 15.8134 15.8207 15.8207 17.5859 17.5859 21.9524 21.9554 k = 0.0242-0.0140 0.0198 ( 1243 PWs) bands (ev): -49.1796 -49.1796 -23.3800 -23.3800 -15.5617 -15.5617 -15.5597 -15.5597 -6.6168 -6.6168 -3.7902 -3.7902 6.7457 6.7457 6.7565 6.7565 6.7954 6.7954 11.1308 11.1308 11.2812 11.2812 11.3164 11.3164 15.8173 15.8173 15.8335 15.8335 17.6055 17.6055 21.9356 21.9362 k = 0.0323-0.0186 0.0263 ( 1243 PWs) bands (ev): -49.1795 -49.1795 -23.3804 -23.3804 -15.5639 -15.5639 -15.5603 -15.5603 -6.6087 -6.6087 -3.7967 -3.7967 6.7499 6.7499 6.7666 6.7666 6.8086 6.8086 11.1056 11.1056 11.2634 11.2634 11.3178 11.3178 15.8229 15.8229 15.8509 15.8509 17.6327 17.6327 21.9119 21.9121 k = 0.0403-0.0233 0.0329 ( 1251 PWs) bands (ev): -49.1794 -49.1794 -23.3812 -23.3812 -15.5669 -15.5669 -15.5612 -15.5612 -6.5983 -6.5983 -3.8049 -3.8049 6.7553 6.7553 6.7771 6.7771 6.8279 6.8279 11.0659 11.0659 11.2489 11.2489 11.3195 11.3195 15.8300 15.8300 15.8722 15.8722 17.6674 17.6674 21.8823 21.8823 k = 0.0484-0.0279 0.0395 ( 1251 PWs) bands (ev): -49.1793 -49.1793 -23.3819 -23.3819 -15.5703 -15.5703 -15.5622 -15.5622 -6.5857 -6.5857 -3.8149 -3.8149 6.7618 6.7618 6.7877 6.7877 6.8537 6.8537 11.0108 11.0108 11.2392 11.2392 11.3216 11.3216 15.8387 15.8387 15.8970 15.8970 17.7093 17.7093 21.8471 21.8471 k = 0.0565-0.0326 0.0461 ( 1251 PWs) bands (ev): -49.1792 -49.1792 -23.3827 -23.3827 -15.5743 -15.5743 -15.5634 -15.5634 -6.5707 -6.5707 -3.8266 -3.8266 6.7696 6.7696 6.7987 6.7987 6.8854 6.8854 10.9421 10.9421 11.2336 11.2336 11.3239 11.3239 15.8489 15.8489 15.9246 15.9246 17.7581 17.7581 21.8068 21.8069 k = 0.0645-0.0372 0.0527 ( 1255 PWs) bands (ev): -49.1790 -49.1790 -23.3838 -23.3838 -15.5790 -15.5790 -15.5648 -15.5648 -6.5536 -6.5536 -3.8400 -3.8400 6.7785 6.7785 6.8107 6.8107 6.9228 6.9228 10.8617 10.8617 11.2305 11.2305 11.3265 11.3265 15.8606 15.8606 15.9543 15.9543 17.8134 17.8134 21.7620 21.7620 k = 0.0726-0.0419 0.0593 ( 1263 PWs) bands (ev): -49.1789 -49.1789 -23.3850 -23.3850 -15.5842 -15.5842 -15.5665 -15.5665 -6.5343 -6.5343 -3.8550 -3.8550 6.7887 6.7887 6.8237 6.8237 6.9653 6.9653 10.7717 10.7717 11.2291 11.2291 11.3292 11.3292 15.8739 15.8739 15.9855 15.9855 17.8749 17.8749 21.7129 21.7129 k = 0.0806-0.0466 0.0658 ( 1271 PWs) bands (ev): -49.1787 -49.1787 -23.3864 -23.3864 -15.5901 -15.5901 -15.5683 -15.5683 -6.5129 -6.5129 -3.8715 -3.8715 6.8000 6.8000 6.8379 6.8379 7.0129 7.0129 10.6734 10.6734 11.2287 11.2287 11.3321 11.3321 15.8887 15.8887 16.0177 16.0177 17.9420 17.9420 21.6604 21.6604 k = 0.0887-0.0512 0.0724 ( 1271 PWs) bands (ev): -49.1785 -49.1785 -23.3877 -23.3877 -15.5963 -15.5963 -15.5702 -15.5702 -6.4893 -6.4893 -3.8895 -3.8895 6.8125 6.8125 6.8534 6.8534 7.0654 7.0654 10.5679 10.5679 11.2289 11.2289 11.3351 11.3351 15.9050 15.9050 16.0504 16.0504 18.0142 18.0142 21.6048 21.6048 k = 0.0968-0.0559 0.0790 ( 1271 PWs) bands (ev): -49.1783 -49.1783 -23.3891 -23.3891 -15.6030 -15.6030 -15.5723 -15.5723 -6.4638 -6.4638 -3.9089 -3.9089 6.8263 6.8263 6.8702 6.8702 7.1225 7.1225 10.4563 10.4563 11.2295 11.2295 11.3381 11.3381 15.9227 15.9227 16.0831 16.0831 18.0911 18.0911 21.5466 21.5466 k = 0.1048-0.0605 0.0856 ( 1279 PWs) bands (ev): -49.1780 -49.1780 -23.3908 -23.3908 -15.6103 -15.6103 -15.5746 -15.5746 -6.4362 -6.4362 -3.9296 -3.9296 6.8412 6.8412 6.8884 6.8884 7.1843 7.1843 10.3395 10.3395 11.2302 11.2302 11.3410 11.3410 15.9419 15.9419 16.1154 16.1154 18.1719 18.1719 21.4863 21.4863 k = 0.1129-0.0652 0.0922 ( 1279 PWs) bands (ev): -49.1778 -49.1778 -23.3924 -23.3924 -15.6179 -15.6179 -15.5769 -15.5769 -6.4067 -6.4067 -3.9515 -3.9515 6.8573 6.8573 6.9079 6.9079 7.2505 7.2505 10.2181 10.2181 11.2309 11.2309 11.3437 11.3437 15.9625 15.9625 16.1470 16.1470 18.2564 18.2564 21.4243 21.4243 k = 0.1210-0.0698 0.0988 ( 1279 PWs) bands (ev): -49.1775 -49.1775 -23.3941 -23.3941 -15.6260 -15.6260 -15.5794 -15.5794 -6.3752 -6.3752 -3.9745 -3.9745 6.8746 6.8746 6.9288 6.9288 7.3209 7.3209 10.0930 10.0930 11.2314 11.2314 11.3462 11.3462 15.9844 15.9844 16.1776 16.1776 18.3438 18.3438 21.3610 21.3610 k = 0.1290-0.0745 0.1054 ( 1287 PWs) bands (ev): -49.1772 -49.1772 -23.3961 -23.3961 -15.6346 -15.6346 -15.5822 -15.5822 -6.3420 -6.3420 -3.9987 -3.9987 6.8930 6.8930 6.9512 6.9512 7.3956 7.3956 9.9648 9.9648 11.2317 11.2317 11.3484 11.3484 16.0077 16.0077 16.2070 16.2070 18.4337 18.4337 21.2967 21.2967 k = 0.1371-0.0792 0.1119 ( 1287 PWs) bands (ev): -49.1769 -49.1769 -23.3980 -23.3980 -15.6435 -15.6435 -15.5850 -15.5850 -6.3070 -6.3070 -4.0238 -4.0238 6.9127 6.9127 6.9748 6.9748 7.4743 7.4743 9.8339 9.8339 11.2316 11.2316 11.3502 11.3502 16.0323 16.0323 16.2348 16.2348 18.5258 18.5258 21.2319 21.2319 k = 0.1452-0.0838 0.1185 ( 1283 PWs) bands (ev): -49.1766 -49.1766 -23.3999 -23.3999 -15.6526 -15.6526 -15.5879 -15.5879 -6.2704 -6.2704 -4.0498 -4.0498 6.9335 6.9335 6.9999 6.9999 7.5569 7.5569 9.7009 9.7009 11.2311 11.2311 11.3515 11.3515 16.0582 16.0582 16.2609 16.2609 18.6195 18.6195 21.1668 21.1668 k = 0.1532-0.0885 0.1251 ( 1283 PWs) bands (ev): -49.1763 -49.1763 -23.4020 -23.4020 -15.6621 -15.6621 -15.5908 -15.5908 -6.2321 -6.2321 -4.0765 -4.0765 6.9555 6.9555 7.0263 7.0263 7.6433 7.6433 9.5663 9.5663 11.2299 11.2299 11.3522 11.3522 16.0854 16.0854 16.2849 16.2849 18.7148 18.7148 21.1017 21.1017 k = 0.1613-0.0931 0.1317 ( 1295 PWs) bands (ev): -49.1760 -49.1760 -23.4044 -23.4044 -15.6720 -15.6720 -15.5942 -15.5942 -6.1923 -6.1923 -4.1040 -4.1040 6.9786 6.9786 7.0541 7.0541 7.7332 7.7332 9.4306 9.4306 11.2281 11.2281 11.3522 11.3522 16.1136 16.1136 16.3068 16.3068 18.8112 18.8112 21.0369 21.0369 k = 0.1694-0.0978 0.1383 ( 1303 PWs) bands (ev): -49.1756 -49.1756 -23.4067 -23.4067 -15.6823 -15.6823 -15.5974 -15.5974 -6.1511 -6.1511 -4.1321 -4.1321 7.0029 7.0029 7.0832 7.0832 7.8267 7.8267 9.2939 9.2939 11.2255 11.2255 11.3514 11.3514 16.1431 16.1431 16.3263 16.3263 18.9088 18.9088 20.9726 20.9726 k = 0.1774-0.1024 0.1449 ( 1303 PWs) bands (ev): -49.1753 -49.1753 -23.4090 -23.4090 -15.6926 -15.6926 -15.6007 -15.6007 -6.1084 -6.1084 -4.1607 -4.1607 7.0283 7.0283 7.1137 7.1137 7.9234 7.9234 9.1569 9.1569 11.2220 11.2220 11.3498 11.3498 16.1736 16.1736 16.3432 16.3432 19.0073 19.0073 20.9090 20.9090 k = 0.1855-0.1071 0.1514 ( 1295 PWs) bands (ev): -49.1749 -49.1749 -23.4112 -23.4112 -15.7029 -15.7029 -15.6040 -15.6040 -6.0645 -6.0645 -4.1897 -4.1897 7.0548 7.0548 7.1455 7.1455 8.0233 8.0233 9.0197 9.0197 11.2176 11.2176 11.3471 11.3471 16.2052 16.2052 16.3573 16.3573 19.1068 19.1068 20.8463 20.8463 k = 0.1935-0.1117 0.1580 ( 1295 PWs) bands (ev): -49.1745 -49.1745 -23.4136 -23.4136 -15.7136 -15.7136 -15.6074 -15.6074 -6.0195 -6.0195 -4.2191 -4.2191 7.0823 7.0823 7.1786 7.1786 8.1262 8.1262 8.8827 8.8827 11.2122 11.2122 11.3434 11.3434 16.2378 16.2378 16.3686 16.3686 19.2073 19.2073 20.7847 20.7847 k = 0.2016-0.1164 0.1646 ( 1295 PWs) bands (ev): -49.1741 -49.1741 -23.4160 -23.4160 -15.7244 -15.7244 -15.6109 -15.6109 -5.9733 -5.9733 -4.2487 -4.2487 7.1110 7.1110 7.2129 7.2129 8.2319 8.2319 8.7462 8.7462 11.2056 11.2056 11.3385 11.3385 16.2712 16.2712 16.3769 16.3769 19.3089 19.3089 20.7245 20.7245 k = 0.2097-0.1211 0.1712 ( 1295 PWs) bands (ev): -49.1737 -49.1737 -23.4184 -23.4184 -15.7354 -15.7354 -15.6145 -15.6145 -5.9261 -5.9261 -4.2785 -4.2785 7.1406 7.1406 7.2485 7.2485 8.3403 8.3403 8.6104 8.6104 11.1979 11.1979 11.3324 11.3324 16.3056 16.3056 16.3820 16.3820 19.4118 19.4118 20.6657 20.6657 k = 0.2177-0.1257 0.1778 ( 1295 PWs) bands (ev): -49.1733 -49.1733 -23.4209 -23.4209 -15.7463 -15.7463 -15.6181 -15.6181 -5.8781 -5.8781 -4.3084 -4.3084 7.1712 7.1712 7.2854 7.2854 8.4512 8.4512 8.4756 8.4756 11.1889 11.1889 11.3249 11.3249 16.3407 16.3407 16.3840 16.3840 19.5161 19.5161 20.6085 20.6085 k = 0.2258-0.1304 0.1844 ( 1295 PWs) bands (ev): -49.1729 -49.1729 -23.4234 -23.4234 -15.7574 -15.7574 -15.6217 -15.6217 -5.8292 -5.8292 -4.3383 -4.3383 7.2027 7.2027 7.3235 7.3235 8.3421 8.3421 8.5644 8.5644 11.1786 11.1786 11.3161 11.3161 16.3765 16.3765 16.3828 16.3828 19.6221 19.6221 20.5530 20.5530 k = 0.2339-0.1350 0.1910 ( 1287 PWs) bands (ev): -49.1725 -49.1725 -23.4258 -23.4258 -15.7684 -15.7684 -15.6252 -15.6252 -5.7797 -5.7797 -4.3681 -4.3681 7.2350 7.2350 7.3627 7.3627 8.2102 8.2102 8.6797 8.6797 11.1670 11.1670 11.3057 11.3057 16.3785 16.3785 16.4130 16.4130 19.7298 19.7298 20.4995 20.4995 k = 0.2419-0.1397 0.1975 ( 1283 PWs) bands (ev): -49.1721 -49.1721 -23.4283 -23.4283 -15.7793 -15.7793 -15.6289 -15.6289 -5.7296 -5.7296 -4.3978 -4.3978 7.2680 7.2680 7.4031 7.4031 8.0801 8.0801 8.7970 8.7970 11.1539 11.1539 11.2938 11.2938 16.3710 16.3710 16.4500 16.4500 19.8395 19.8395 20.4481 20.4481 k = 0.2500-0.1443 0.2041 ( 1283 PWs) bands (ev): -49.1717 -49.1717 -23.4308 -23.4308 -15.7903 -15.7903 -15.6326 -15.6326 -5.6790 -5.6790 -4.4273 -4.4273 7.3013 7.3013 7.4446 7.4446 7.9524 7.9524 8.9161 8.9161 11.1394 11.1394 11.2803 11.2803 16.3604 16.3604 16.4876 16.4876 19.9512 19.9512 20.3990 20.3990 k = 0.2581-0.1490 0.2107 ( 1283 PWs) bands (ev): -49.1713 -49.1713 -23.4334 -23.4334 -15.8013 -15.8013 -15.6363 -15.6363 -5.6282 -5.6282 -4.4565 -4.4565 7.3344 7.3344 7.4871 7.4871 7.8277 7.8277 9.0367 9.0367 11.1234 11.1234 11.2651 11.2651 16.3470 16.3470 16.5255 16.5255 20.0645 20.0645 20.3530 20.3530 k = 0.2661-0.1536 0.2173 ( 1283 PWs) bands (ev): -49.1709 -49.1709 -23.4359 -23.4359 -15.8121 -15.8121 -15.6399 -15.6399 -5.5771 -5.5771 -4.4853 -4.4853 7.3658 7.3658 7.5307 7.5307 7.7077 7.7077 9.1586 9.1586 11.1059 11.1059 11.2483 11.2483 16.3308 16.3308 16.5637 16.5637 20.1761 20.1761 20.3137 20.3137 k = 0.2742-0.1583 0.2239 ( 1283 PWs) bands (ev): -49.1705 -49.1705 -23.4384 -23.4384 -15.8229 -15.8229 -15.6436 -15.6436 -5.5258 -5.5258 -4.5138 -4.5138 7.3896 7.3896 7.5752 7.5752 7.5984 7.5984 9.2817 9.2817 11.0869 11.0869 11.2297 11.2297 16.3121 16.3121 16.6021 16.6021 20.2380 20.2380 20.3292 20.3292 k = 0.2823-0.1630 0.2305 ( 1283 PWs) bands (ev): -49.1701 -49.1701 -23.4409 -23.4409 -15.8335 -15.8335 -15.6472 -15.6472 -5.4747 -5.4747 -4.5417 -4.5417 7.3788 7.3788 7.5268 7.5268 7.6206 7.6206 9.4058 9.4058 11.0664 11.0664 11.2095 11.2095 16.2910 16.2910 16.6406 16.6406 20.2108 20.2108 20.2918 20.2918 k = 0.2903-0.1676 0.2370 ( 1275 PWs) bands (ev): -49.1697 -49.1697 -23.4432 -23.4432 -15.8437 -15.8437 -15.6507 -15.6507 -5.4236 -5.4236 -4.5691 -4.5691 7.3013 7.3013 7.5253 7.5253 7.6669 7.6669 9.5304 9.5304 11.0445 11.0445 11.1875 11.1875 16.2678 16.2678 16.6791 16.6791 20.1745 20.1745 20.2154 20.2154 k = 0.2984-0.1723 0.2436 ( 1275 PWs) bands (ev): -49.1693 -49.1693 -23.4456 -23.4456 -15.8539 -15.8539 -15.6542 -15.6542 -5.3728 -5.3728 -4.5959 -4.5959 7.1977 7.1977 7.5533 7.5533 7.7139 7.7139 9.6556 9.6556 11.0211 11.0211 11.1639 11.1639 16.2428 16.2428 16.7174 16.7174 20.1356 20.1356 20.1389 20.1389 k = 0.3065-0.1769 0.2502 ( 1275 PWs) bands (ev): -49.1689 -49.1689 -23.4480 -23.4480 -15.8639 -15.8639 -15.6577 -15.6577 -5.3225 -5.3225 -4.6221 -4.6221 7.0902 7.0902 7.5887 7.5887 7.7617 7.7617 9.7809 9.7809 10.9964 10.9964 11.1385 11.1385 16.2161 16.2161 16.7556 16.7556 20.0524 20.0524 20.1050 20.1050 k = 0.3145-0.1816 0.2568 ( 1267 PWs) bands (ev): -49.1685 -49.1685 -23.4502 -23.4502 -15.8736 -15.8736 -15.6610 -15.6610 -5.2727 -5.2727 -4.6476 -4.6476 6.9835 6.9835 7.6268 7.6268 7.8100 7.8100 9.9060 9.9060 10.9703 10.9703 11.1116 11.1116 16.1881 16.1881 16.7933 16.7933 19.9665 19.9665 20.0731 20.0731 k = 0.3226-0.1862 0.2634 ( 1267 PWs) bands (ev): -49.1681 -49.1681 -23.4525 -23.4525 -15.8831 -15.8831 -15.6643 -15.6643 -5.2237 -5.2237 -4.6723 -4.6723 6.8790 6.8790 7.6663 7.6663 7.8589 7.8589 10.0308 10.0308 10.9431 10.9431 11.0832 11.0832 16.1591 16.1591 16.8306 16.8306 19.8781 19.8781 20.0433 20.0433 k = 0.3306-0.1909 0.2700 ( 1266 PWs) bands (ev): -49.1678 -49.1678 -23.4547 -23.4547 -15.8923 -15.8923 -15.6676 -15.6676 -5.1754 -5.1754 -4.6962 -4.6962 6.7774 6.7774 7.7065 7.7065 7.9082 7.9082 10.1549 10.1549 10.9147 10.9147 11.0533 11.0533 16.1293 16.1293 16.8673 16.8673 19.7880 19.7880 20.0156 20.0156 k = 0.3387-0.1956 0.2766 ( 1266 PWs) bands (ev): -49.1674 -49.1674 -23.4569 -23.4569 -15.9012 -15.9012 -15.6707 -15.6707 -5.1282 -5.1282 -4.7193 -4.7193 6.6790 6.6790 7.7473 7.7473 7.9578 7.9578 10.2779 10.2779 10.8852 10.8852 11.0220 11.0220 16.0990 16.0990 16.9033 16.9033 19.6967 19.6967 19.9899 19.9899 k = 0.3468-0.2002 0.2831 ( 1266 PWs) bands (ev): -49.1671 -49.1671 -23.4590 -23.4590 -15.9098 -15.9098 -15.6738 -15.6738 -5.0820 -5.0820 -4.7415 -4.7415 6.5841 6.5841 7.7882 7.7882 8.0075 8.0075 10.3996 10.3996 10.8550 10.8550 10.9896 10.9896 16.0684 16.0684 16.9384 16.9384 19.6046 19.6046 19.9663 19.9663 k = 0.3548-0.2049 0.2897 ( 1274 PWs) bands (ev): -49.1668 -49.1668 -23.4612 -23.4612 -15.9182 -15.9182 -15.6768 -15.6768 -5.0371 -5.0371 -4.7628 -4.7628 6.4928 6.4928 7.8292 7.8292 8.0573 8.0573 10.5193 10.5193 10.8239 10.8239 10.9561 10.9561 16.0378 16.0378 16.9725 16.9725 19.5125 19.5125 19.9446 19.9446 k = 0.3629-0.2095 0.2963 ( 1274 PWs) bands (ev): -49.1665 -49.1665 -23.4632 -23.4632 -15.9261 -15.9261 -15.6797 -15.6797 -4.9936 -4.9936 -4.7831 -4.7831 6.4055 6.4055 7.8701 7.8701 8.1070 8.1070 10.6368 10.6368 10.7923 10.7923 10.9219 10.9219 16.0075 16.0075 17.0054 17.0054 19.4207 19.4207 19.9248 19.9248 k = 0.3710-0.2142 0.3029 ( 1274 PWs) bands (ev): -49.1662 -49.1662 -23.4650 -23.4650 -15.9337 -15.9337 -15.6824 -15.6824 -4.9516 -4.9516 -4.8025 -4.8025 6.3222 6.3222 7.9106 7.9106 8.1564 8.1564 10.7508 10.7508 10.7604 10.7604 10.8879 10.8879 15.9777 15.9777 17.0370 17.0370 19.3299 19.3299 19.9068 19.9068 k = 0.3790-0.2188 0.3095 ( 1266 PWs) bands (ev): -49.1659 -49.1659 -23.4666 -23.4666 -15.9407 -15.9407 -15.6848 -15.6848 -4.9113 -4.9113 -4.8208 -4.8208 6.2431 6.2431 7.9505 7.9505 8.2052 8.2052 10.7282 10.7282 10.8373 10.8373 10.8778 10.8778 15.9486 15.9486 17.0672 17.0672 19.2406 19.2406 19.8906 19.8906 k = 0.3871-0.2235 0.3161 ( 1266 PWs) bands (ev): -49.1656 -49.1656 -23.4683 -23.4683 -15.9475 -15.9475 -15.6873 -15.6873 -4.8728 -4.8728 -4.8381 -4.8381 6.1683 6.1683 7.9898 7.9898 8.2534 8.2534 10.6961 10.6961 10.8112 10.8112 10.9766 10.9766 15.9204 15.9204 17.0959 17.0959 19.1534 19.1534 19.8759 19.8759 k = 0.3952-0.2281 0.3226 ( 1262 PWs) bands (ev): -49.1653 -49.1653 -23.4698 -23.4698 -15.9538 -15.9538 -15.6896 -15.6896 -4.8543 -4.8543 -4.8363 -4.8363 6.0980 6.0980 8.0281 8.0281 8.3006 8.3006 10.6643 10.6643 10.7759 10.7759 11.0806 11.0806 15.8933 15.8933 17.1228 17.1228 19.0688 19.0688 19.8628 19.8628 k = 0.4032-0.2328 0.3292 ( 1262 PWs) bands (ev): -49.1651 -49.1651 -23.4713 -23.4713 -15.9597 -15.9597 -15.6917 -15.6917 -4.8694 -4.8694 -4.8019 -4.8019 6.0323 6.0323 8.0651 8.0651 8.3466 8.3466 10.6331 10.6331 10.7403 10.7403 11.1806 11.1806 15.8675 15.8675 17.1479 17.1479 18.9874 18.9874 19.8512 19.8512 k = 0.4113-0.2375 0.3358 ( 1266 PWs) bands (ev): -49.1649 -49.1649 -23.4728 -23.4728 -15.9653 -15.9653 -15.6937 -15.6937 -4.8834 -4.8834 -4.7697 -4.7697 5.9713 5.9713 8.1008 8.1008 8.3910 8.3910 10.6027 10.6027 10.7051 10.7051 11.2758 11.2758 15.8431 15.8431 17.1711 17.1711 18.9098 18.9098 19.8409 19.8409 k = 0.4194-0.2421 0.3424 ( 1266 PWs) bands (ev): -49.1647 -49.1647 -23.4740 -23.4740 -15.9704 -15.9704 -15.6956 -15.6956 -4.8963 -4.8963 -4.7399 -4.7399 5.9152 5.9152 8.1347 8.1347 8.4336 8.4336 10.5734 10.5734 10.6707 10.6707 11.3655 11.3655 15.8204 15.8204 17.1923 17.1923 18.8366 18.8366 19.8318 19.8318 k = 0.4274-0.2468 0.3490 ( 1266 PWs) bands (ev): -49.1645 -49.1645 -23.4752 -23.4752 -15.9750 -15.9750 -15.6973 -15.6973 -4.9079 -4.9079 -4.7125 -4.7125 5.8641 5.8641 8.1666 8.1666 8.4740 8.4740 10.5455 10.5455 10.6377 10.6377 11.4490 11.4490 15.7994 15.7994 17.2113 17.2113 18.7683 18.7683 19.8239 19.8239 k = 0.4355-0.2514 0.3556 ( 1266 PWs) bands (ev): -49.1643 -49.1643 -23.4762 -23.4762 -15.9791 -15.9791 -15.6988 -15.6988 -4.9184 -4.9184 -4.6876 -4.6876 5.8180 5.8180 8.1963 8.1963 8.5118 8.5118 10.5194 10.5194 10.6064 10.6064 11.5258 11.5258 15.7803 15.7803 17.2282 17.2282 18.7056 18.7056 19.8171 19.8171 k = 0.4435-0.2561 0.3622 ( 1266 PWs) bands (ev): -49.1641 -49.1641 -23.4772 -23.4772 -15.9828 -15.9828 -15.7001 -15.7001 -4.9277 -4.9277 -4.6655 -4.6655 5.7771 5.7771 8.2234 8.2234 8.5466 8.5466 10.4954 10.4954 10.5772 10.5772 11.5953 11.5953 15.7632 15.7632 17.2429 17.2429 18.6489 18.6489 19.8113 19.8113 k = 0.4516-0.2607 0.3687 ( 1274 PWs) bands (ev): -49.1640 -49.1640 -23.4782 -23.4782 -15.9861 -15.9861 -15.7015 -15.7015 -4.9358 -4.9358 -4.6460 -4.6460 5.7415 5.7415 8.2476 8.2476 8.5780 8.5780 10.4738 10.4738 10.5507 10.5507 11.6569 11.6569 15.7482 15.7482 17.2554 17.2554 18.5988 18.5988 19.8064 19.8064 k = 0.4597-0.2654 0.3753 ( 1274 PWs) bands (ev): -49.1639 -49.1639 -23.4789 -23.4789 -15.9888 -15.9888 -15.7025 -15.7025 -4.9426 -4.9426 -4.6295 -4.6295 5.7112 5.7112 8.2687 8.2687 8.6054 8.6054 10.4548 10.4548 10.5272 10.5272 11.7101 11.7101 15.7353 15.7353 17.2658 17.2658 18.5557 18.5557 19.8024 19.8024 k = 0.4677-0.2701 0.3819 ( 1274 PWs) bands (ev): -49.1638 -49.1638 -23.4794 -23.4794 -15.9910 -15.9910 -15.7033 -15.7033 -4.9483 -4.9483 -4.6158 -4.6158 5.6864 5.6864 8.2864 8.2864 8.6286 8.6286 10.4389 10.4389 10.5073 10.5073 11.7543 11.7543 15.7247 15.7247 17.2741 17.2741 18.5199 18.5199 19.7992 19.7992 k = 0.4758-0.2747 0.3885 ( 1270 PWs) bands (ev): -49.1638 -49.1638 -23.4798 -23.4798 -15.9927 -15.9927 -15.7039 -15.7039 -4.9526 -4.9526 -4.6051 -4.6051 5.6670 5.6670 8.3004 8.3004 8.6472 8.6472 10.4262 10.4262 10.4913 10.4913 11.7892 11.7892 15.7164 15.7164 17.2804 17.2804 18.4918 18.4918 19.7967 19.7967 k = 0.4839-0.2794 0.3951 ( 1278 PWs) bands (ev): -49.1637 -49.1637 -23.4803 -23.4803 -15.9941 -15.9941 -15.7044 -15.7044 -4.9558 -4.9558 -4.5975 -4.5975 5.6531 5.6531 8.3106 8.3106 8.6606 8.6606 10.4170 10.4170 10.4796 10.4796 11.8144 11.8144 15.7104 15.7104 17.2848 17.2848 18.4715 18.4715 19.7950 19.7950 k = 0.4919-0.2840 0.4017 ( 1266 PWs) bands (ev): -49.1637 -49.1637 -23.4802 -23.4802 -15.9946 -15.9946 -15.7046 -15.7046 -4.9576 -4.9576 -4.5929 -4.5929 5.6447 5.6447 8.3168 8.3168 8.6689 8.6689 10.4114 10.4114 10.4725 10.4725 11.8296 11.8296 15.7068 15.7068 17.2874 17.2874 18.4593 18.4593 19.7940 19.7940 k = 0.5000-0.2887 0.4082 ( 1266 PWs) bands (ev): -49.1637 -49.1637 -23.4803 -23.4803 -15.9949 -15.9949 -15.7047 -15.7047 -4.9583 -4.9583 -4.5913 -4.5913 5.6420 5.6420 8.3188 8.3188 8.6716 8.6716 10.4095 10.4095 10.4701 10.4701 11.8347 11.8347 15.7056 15.7056 17.2883 17.2883 18.4553 18.4553 19.7937 19.7937 k = 0.5000-0.2887 0.4082 ( 1266 PWs) bands (ev): -49.1637 -49.1637 -23.4803 -23.4803 -15.9949 -15.9949 -15.7047 -15.7047 -4.9583 -4.9583 -4.5913 -4.5913 5.6420 5.6420 8.3188 8.3188 8.6716 8.6716 10.4095 10.4095 10.4701 10.4701 11.8347 11.8347 15.7056 15.7056 17.2883 17.2883 18.4553 18.4553 19.7937 19.7937 k = 0.5000-0.2794 0.4148 ( 1266 PWs) bands (ev): -49.1637 -49.1637 -23.4803 -23.4803 -15.9947 -15.9947 -15.7048 -15.7048 -4.9581 -4.9581 -4.5915 -4.5915 5.6434 5.6434 8.3182 8.3182 8.6708 8.6708 10.4089 10.4089 10.4695 10.4695 11.8343 11.8343 15.7075 15.7075 17.2881 17.2881 18.4556 18.4556 19.7927 19.7927 k = 0.5000-0.2701 0.4214 ( 1270 PWs) bands (ev): -49.1637 -49.1637 -23.4803 -23.4803 -15.9944 -15.9944 -15.7053 -15.7053 -4.9576 -4.9576 -4.5919 -4.5919 5.6476 5.6476 8.3163 8.3163 8.6684 8.6684 10.4072 10.4072 10.4680 10.4680 11.8329 11.8329 15.7133 15.7133 17.2876 17.2876 18.4565 18.4565 19.7897 19.7897 k = 0.5000-0.2607 0.4280 ( 1272 PWs) bands (ev): -49.1637 -49.1637 -23.4804 -23.4804 -15.9938 -15.9938 -15.7061 -15.7061 -4.9568 -4.9568 -4.5926 -4.5926 5.6547 5.6547 8.3127 8.3127 8.6649 8.6649 10.4037 10.4037 10.4659 10.4659 11.8306 11.8306 15.7228 15.7228 17.2868 17.2868 18.4582 18.4582 19.7845 19.7845 k = 0.5000-0.2514 0.4346 ( 1272 PWs) bands (ev): -49.1637 -49.1637 -23.4804 -23.4804 -15.9929 -15.9929 -15.7071 -15.7071 -4.9557 -4.9557 -4.5935 -4.5935 5.6645 5.6645 8.3070 8.3070 8.6608 8.6608 10.3981 10.3981 10.4640 10.4640 11.8274 11.8274 15.7361 15.7361 17.2855 17.2855 18.4605 18.4605 19.7768 19.7768 k = 0.5000-0.2421 0.4412 ( 1268 PWs) bands (ev): -49.1637 -49.1637 -23.4803 -23.4803 -15.9917 -15.9917 -15.7084 -15.7084 -4.9542 -4.9542 -4.5947 -4.5947 5.6772 5.6772 8.2985 8.2985 8.6569 8.6569 10.3895 10.3895 10.4627 10.4627 11.8233 11.8233 15.7529 15.7529 17.2839 17.2839 18.4634 18.4634 19.7664 19.7664 k = 0.5000-0.2328 0.4478 ( 1268 PWs) bands (ev): -49.1637 -49.1637 -23.4803 -23.4803 -15.9903 -15.9903 -15.7100 -15.7100 -4.9525 -4.9525 -4.5961 -4.5961 5.6927 5.6927 8.2864 8.2864 8.6540 8.6540 10.3777 10.3777 10.4626 10.4626 11.8184 11.8184 15.7733 15.7733 17.2818 17.2818 18.4670 18.4670 19.7528 19.7528 k = 0.5000-0.2235 0.4543 ( 1268 PWs) bands (ev): -49.1637 -49.1637 -23.4803 -23.4803 -15.9887 -15.9887 -15.7119 -15.7119 -4.9505 -4.9505 -4.5978 -4.5978 5.7109 5.7109 8.2700 8.2700 8.6531 8.6531 10.3625 10.3625 10.4637 10.4637 11.8128 11.8128 15.7969 15.7969 17.2791 17.2791 18.4713 18.4713 19.7359 19.7359 k = 0.5000-0.2142 0.4609 ( 1268 PWs) bands (ev): -49.1637 -49.1637 -23.4802 -23.4802 -15.9869 -15.9869 -15.7141 -15.7141 -4.9481 -4.9481 -4.5997 -4.5997 5.7318 5.7318 8.2487 8.2487 8.6550 8.6550 10.3441 10.3441 10.4660 10.4660 11.8063 11.8063 15.8236 15.8236 17.2760 17.2760 18.4763 18.4763 19.7154 19.7154 k = 0.5000-0.2049 0.4675 ( 1264 PWs) bands (ev): -49.1636 -49.1636 -23.4801 -23.4801 -15.9847 -15.9847 -15.7164 -15.7164 -4.9456 -4.9456 -4.6019 -4.6019 5.7555 5.7555 8.2220 8.2220 8.6602 8.6602 10.3228 10.3228 10.4693 10.4693 11.7992 11.7992 15.8532 15.8532 17.2722 17.2722 18.4821 18.4821 19.6913 19.6913 k = 0.5000-0.1956 0.4741 ( 1264 PWs) bands (ev): -49.1636 -49.1636 -23.4801 -23.4801 -15.9825 -15.9825 -15.7190 -15.7190 -4.9427 -4.9427 -4.6042 -4.6042 5.7818 5.7818 8.1899 8.1899 8.6689 8.6689 10.2987 10.2987 10.4733 10.4733 11.7915 11.7915 15.8854 15.8854 17.2676 17.2676 18.4885 18.4885 19.6637 19.6637 k = 0.5000-0.1862 0.4807 ( 1268 PWs) bands (ev): -49.1637 -49.1637 -23.4802 -23.4802 -15.9800 -15.9800 -15.7220 -15.7220 -4.9397 -4.9397 -4.6068 -4.6068 5.8107 5.8107 8.1527 8.1527 8.6812 8.6812 10.2719 10.2719 10.4781 10.4781 11.7832 11.7832 15.9202 15.9202 17.2623 17.2623 18.4957 18.4957 19.6330 19.6330 k = 0.5000-0.1769 0.4873 ( 1268 PWs) bands (ev): -49.1637 -49.1637 -23.4802 -23.4802 -15.9773 -15.9773 -15.7251 -15.7251 -4.9364 -4.9364 -4.6095 -4.6095 5.8423 5.8423 8.1106 8.1106 8.6970 8.6970 10.2428 10.2428 10.4833 10.4833 11.7744 11.7744 15.9571 15.9571 17.2562 17.2562 18.5037 18.5037 19.5995 19.5995 k = 0.5000-0.1676 0.4938 ( 1264 PWs) bands (ev): -49.1636 -49.1636 -23.4801 -23.4801 -15.9744 -15.9744 -15.7283 -15.7283 -4.9330 -4.9330 -4.6124 -4.6124 5.8764 5.8764 8.0640 8.0640 8.7160 8.7160 10.2114 10.2114 10.4891 10.4891 11.7651 11.7651 15.9960 15.9960 17.2491 17.2491 18.5125 18.5125 19.5636 19.5636 k = 0.5000-0.1583 0.5004 ( 1268 PWs) bands (ev): -49.1636 -49.1636 -23.4801 -23.4801 -15.9715 -15.9715 -15.7318 -15.7318 -4.9294 -4.9294 -4.6155 -4.6155 5.9130 5.9130 8.0135 8.0135 8.7380 8.7380 10.1779 10.1779 10.4952 10.4952 11.7556 11.7556 16.0365 16.0365 17.2410 17.2410 18.5221 18.5221 19.5258 19.5258 k = 0.5000-0.1490 0.5070 ( 1270 PWs) bands (ev): -49.1637 -49.1637 -23.4802 -23.4802 -15.9684 -15.9684 -15.7353 -15.7353 -4.9256 -4.9256 -4.6187 -4.6187 5.9520 5.9520 7.9594 7.9594 8.7627 8.7627 10.1424 10.1424 10.5015 10.5015 11.7458 11.7458 16.0785 16.0785 17.2317 17.2317 18.5326 18.5326 19.4865 19.4865 k = 0.5000-0.1397 0.5136 ( 1270 PWs) bands (ev): -49.1637 -49.1637 -23.4802 -23.4802 -15.9652 -15.9652 -15.7390 -15.7390 -4.9218 -4.9218 -4.6220 -4.6220 5.9934 5.9934 7.9023 7.9023 8.7900 8.7900 10.1051 10.1051 10.5081 10.5081 11.7359 11.7359 16.1216 16.1216 17.2214 17.2214 18.5440 18.5440 19.4461 19.4461 k = 0.5000-0.1304 0.5202 ( 1270 PWs) bands (ev): -49.1637 -49.1637 -23.4801 -23.4801 -15.9618 -15.9618 -15.7428 -15.7428 -4.9179 -4.9179 -4.6253 -4.6253 6.0372 6.0372 7.8425 7.8425 8.8196 8.8196 10.0662 10.0662 10.5148 10.5148 11.7259 11.7259 16.1655 16.1655 17.2098 17.2098 18.5563 18.5563 19.4050 19.4050 k = 0.5000-0.1211 0.5268 ( 1266 PWs) bands (ev): -49.1636 -49.1636 -23.4801 -23.4801 -15.9584 -15.9584 -15.7466 -15.7466 -4.9140 -4.9140 -4.6287 -4.6287 6.0831 6.0831 7.7803 7.7803 8.8513 8.8513 10.0257 10.0257 10.5215 10.5215 11.7160 11.7160 16.2101 16.2101 17.1969 17.1969 18.5695 18.5695 19.3636 19.3636 k = 0.5000-0.1117 0.5334 ( 1268 PWs) bands (ev): -49.1637 -49.1637 -23.4801 -23.4801 -15.9550 -15.9550 -15.7505 -15.7505 -4.9101 -4.9101 -4.6320 -4.6320 6.1312 6.1312 7.7163 7.7163 8.8849 8.8849 9.9838 9.9838 10.5282 10.5282 11.7062 11.7062 16.2550 16.2550 17.1827 17.1827 18.5837 18.5837 19.3221 19.3221 k = 0.5000-0.1024 0.5399 ( 1268 PWs) bands (ev): -49.1637 -49.1637 -23.4801 -23.4801 -15.9515 -15.9515 -15.7543 -15.7543 -4.9062 -4.9062 -4.6354 -4.6354 6.1813 6.1813 7.6506 7.6506 8.9204 8.9204 9.9407 9.9407 10.5347 10.5347 11.6967 11.6967 16.2999 16.2999 17.1672 17.1672 18.5989 18.5989 19.2808 19.2808 k = 0.5000-0.0931 0.5465 ( 1268 PWs) bands (ev): -49.1637 -49.1637 -23.4801 -23.4801 -15.9481 -15.9481 -15.7581 -15.7581 -4.9025 -4.9025 -4.6386 -4.6386 6.2334 6.2334 7.5837 7.5837 8.9574 8.9574 9.8966 9.8966 10.5411 10.5411 11.6876 11.6876 16.3446 16.3446 17.1504 17.1504 18.6151 18.6151 19.2400 19.2400 k = 0.5000-0.0838 0.5531 ( 1260 PWs) bands (ev): -49.1636 -49.1636 -23.4799 -23.4799 -15.9447 -15.9447 -15.7617 -15.7617 -4.8988 -4.8988 -4.6418 -4.6418 6.2873 6.2873 7.5159 7.5159 8.9960 8.9960 9.8516 9.8516 10.5471 10.5471 11.6789 11.6789 16.3886 16.3886 17.1323 17.1323 18.6323 18.6323 19.1998 19.1998 k = 0.5000-0.0745 0.5597 ( 1260 PWs) bands (ev): -49.1636 -49.1636 -23.4799 -23.4799 -15.9415 -15.9415 -15.7652 -15.7652 -4.8954 -4.8954 -4.6448 -4.6448 6.3428 6.3428 7.4474 7.4474 9.0358 9.0358 9.8059 9.8059 10.5528 10.5528 11.6708 11.6708 16.4317 16.4317 17.1132 17.1132 18.6504 18.6504 19.1606 19.1606 k = 0.5000-0.0652 0.5663 ( 1256 PWs) bands (ev): -49.1636 -49.1636 -23.4798 -23.4798 -15.9384 -15.9384 -15.7685 -15.7685 -4.8922 -4.8922 -4.6475 -4.6475 6.3997 6.3997 7.3787 7.3787 9.0767 9.0767 9.7598 9.7598 10.5581 10.5581 11.6634 11.6634 16.4734 16.4734 17.0932 17.0932 18.6695 18.6695 19.1226 19.1226 k = 0.5000-0.0559 0.5729 ( 1258 PWs) bands (ev): -49.1636 -49.1636 -23.4798 -23.4798 -15.9357 -15.9357 -15.7716 -15.7716 -4.8893 -4.8893 -4.6501 -4.6501 6.4578 6.4578 7.3101 7.3101 9.1184 9.1184 9.7135 9.7135 10.5628 10.5628 11.6568 11.6568 16.5132 16.5132 17.0726 17.0726 18.6894 18.6894 19.0860 19.0860 k = 0.5000-0.0466 0.5794 ( 1252 PWs) bands (ev): -49.1636 -49.1636 -23.4797 -23.4797 -15.9331 -15.9331 -15.7742 -15.7742 -4.8868 -4.8868 -4.6523 -4.6523 6.5166 6.5166 7.2423 7.2423 9.1606 9.1606 9.6673 9.6673 10.5669 10.5669 11.6510 11.6510 16.5504 16.5504 17.0519 17.0519 18.7099 18.7099 19.0511 19.0511 k = 0.5000-0.0372 0.5860 ( 1248 PWs) bands (ev): -49.1636 -49.1636 -23.4796 -23.4796 -15.9310 -15.9310 -15.7764 -15.7764 -4.8846 -4.8846 -4.6542 -4.6542 6.5754 6.5754 7.1760 7.1760 9.2028 9.2028 9.6218 9.6218 10.5704 10.5704 11.6462 11.6462 16.5842 16.5842 17.0318 17.0318 18.7306 18.7306 19.0185 19.0185 k = 0.5000-0.0279 0.5926 ( 1252 PWs) bands (ev): -49.1636 -49.1636 -23.4797 -23.4797 -15.9293 -15.9293 -15.7784 -15.7784 -4.8829 -4.8829 -4.6558 -4.6558 6.6329 6.6329 7.1126 7.1126 9.2441 9.2441 9.5780 9.5780 10.5731 10.5731 11.6423 11.6423 16.6133 16.6133 17.0134 17.0134 18.7508 18.7508 18.9889 18.9889 k = 0.5000-0.0186 0.5992 ( 1252 PWs) bands (ev): -49.1636 -49.1636 -23.4797 -23.4797 -15.9280 -15.9280 -15.7798 -15.7798 -4.8816 -4.8816 -4.6569 -4.6569 6.6862 6.6862 7.0550 7.0550 9.2824 9.2824 9.5379 9.5379 10.5751 10.5751 11.6396 11.6396 16.6362 16.6362 16.9983 16.9983 18.7690 18.7690 18.9639 18.9639 k = 0.5000-0.0093 0.6058 ( 1256 PWs) bands (ev): -49.1636 -49.1636 -23.4797 -23.4797 -15.9273 -15.9273 -15.7807 -15.7807 -4.8809 -4.8809 -4.6576 -4.6576 6.7286 6.7286 7.0100 7.0100 9.3130 9.3130 9.5061 9.5061 10.5763 10.5763 11.6379 11.6379 16.6511 16.6511 16.9881 16.9881 18.7827 18.7827 18.9461 18.9461 k = 0.5000-0.0000 0.6124 ( 1256 PWs) bands (ev): -49.1636 -49.1636 -23.4797 -23.4797 -15.9270 -15.9270 -15.7810 -15.7810 -4.8806 -4.8806 -4.6578 -4.6578 6.7462 6.7462 6.9915 6.9915 9.3258 9.3258 9.4930 9.4930 10.5767 10.5767 11.6373 11.6373 16.6563 16.6563 16.9845 16.9845 18.7880 18.7880 18.9395 18.9395 k = 0.5000-0.0000 0.6124 ( 1256 PWs) bands (ev): -49.1636 -49.1636 -23.4797 -23.4797 -15.9270 -15.9270 -15.7810 -15.7810 -4.8806 -4.8806 -4.6578 -4.6578 6.7462 6.7462 6.9915 6.9915 9.3258 9.3258 9.4930 9.4930 10.5767 10.5767 11.6373 11.6373 16.6563 16.6563 16.9845 16.9845 18.7880 18.7880 18.9395 18.9395 k = 0.4943 0.0098 0.6124 ( 1256 PWs) bands (ev): -49.1636 -49.1636 -23.4797 -23.4797 -15.9271 -15.9271 -15.7808 -15.7808 -4.8809 -4.8809 -4.6578 -4.6578 6.7380 6.7380 7.0014 7.0014 9.3188 9.3188 9.4988 9.4988 10.5773 10.5773 11.6362 11.6362 16.6530 16.6530 16.9864 16.9864 18.7861 18.7861 18.9435 18.9435 k = 0.4886 0.0197 0.6124 ( 1252 PWs) bands (ev): -49.1636 -49.1636 -23.4796 -23.4796 -15.9274 -15.9274 -15.7801 -15.7801 -4.8816 -4.8816 -4.6577 -4.6577 6.7160 6.7160 7.0281 7.0281 9.3004 9.3004 9.5135 9.5135 10.5789 10.5789 11.6332 11.6332 16.6432 16.6432 16.9924 16.9924 18.7808 18.7808 18.9546 18.9546 k = 0.4830 0.0295 0.6124 ( 1248 PWs) bands (ev): -49.1636 -49.1636 -23.4794 -23.4794 -15.9279 -15.9279 -15.7790 -15.7790 -4.8829 -4.8829 -4.6575 -4.6575 6.6859 6.6859 7.0661 7.0661 9.2750 9.2750 9.5326 9.5326 10.5815 10.5815 11.6286 11.6286 16.6274 16.6274 17.0021 17.0021 18.7734 18.7734 18.9713 18.9713 k = 0.4773 0.0394 0.6124 ( 1248 PWs) bands (ev): -49.1636 -49.1636 -23.4794 -23.4794 -15.9287 -15.9287 -15.7777 -15.7777 -4.8847 -4.8847 -4.6571 -4.6571 6.6520 6.6520 7.1111 7.1111 9.2454 9.2454 9.5533 9.5533 10.5848 10.5848 11.6225 11.6225 16.6062 16.6062 17.0149 17.0149 18.7653 18.7653 18.9919 18.9919 k = 0.4716 0.0492 0.6124 ( 1246 PWs) bands (ev): -49.1637 -49.1637 -23.4792 -23.4792 -15.9297 -15.9297 -15.7759 -15.7759 -4.8871 -4.8871 -4.6565 -4.6565 6.6166 6.6166 7.1607 7.1607 9.2131 9.2131 9.5741 9.5741 10.5888 10.5888 11.6154 11.6154 16.5809 16.5809 17.0300 17.0300 18.7571 18.7571 19.0151 19.0151 k = 0.4659 0.0590 0.6124 ( 1259 PWs) bands (ev): -49.1637 -49.1637 -23.4794 -23.4794 -15.9309 -15.9309 -15.7743 -15.7743 -4.8900 -4.8900 -4.6555 -4.6555 6.5810 6.5810 7.2134 7.2134 9.1788 9.1788 9.5941 9.5941 10.5933 10.5933 11.6074 11.6074 16.5525 16.5525 17.0466 17.0466 18.7495 18.7495 19.0399 19.0399 k = 0.4602 0.0689 0.6124 ( 1259 PWs) bands (ev): -49.1637 -49.1637 -23.4793 -23.4793 -15.9321 -15.9321 -15.7722 -15.7722 -4.8934 -4.8934 -4.6543 -4.6543 6.5462 6.5462 7.2684 7.2684 9.1430 9.1430 9.6132 9.6132 10.5980 10.5980 11.5989 11.5989 16.5218 16.5218 17.0642 17.0642 18.7426 18.7426 19.0654 19.0654 k = 0.4545 0.0787 0.6124 ( 1259 PWs) bands (ev): -49.1638 -49.1638 -23.4791 -23.4791 -15.9334 -15.9334 -15.7699 -15.7699 -4.8971 -4.8971 -4.6528 -4.6528 6.5126 6.5126 7.3249 7.3249 9.1060 9.1060 9.6310 9.6310 10.6029 10.6029 11.5901 11.5901 16.4897 16.4897 17.0822 17.0822 18.7367 18.7367 19.0912 19.0912 k = 0.4489 0.0886 0.6124 ( 1260 PWs) bands (ev): -49.1638 -49.1638 -23.4790 -23.4790 -15.9348 -15.9348 -15.7676 -15.7676 -4.9011 -4.9011 -4.6512 -4.6512 6.4805 6.4805 7.3824 7.3824 9.0677 9.0677 9.6476 9.6476 10.6078 10.6078 11.5811 11.5811 16.4570 16.4570 17.1001 17.1001 18.7316 18.7316 19.1167 19.1167 k = 0.4432 0.0984 0.6124 ( 1260 PWs) bands (ev): -49.1638 -49.1638 -23.4789 -23.4789 -15.9362 -15.9362 -15.7652 -15.7652 -4.9054 -4.9054 -4.6493 -4.6493 6.4502 6.4502 7.4406 7.4406 9.0286 9.0286 9.6628 9.6628 10.6125 10.6125 11.5723 11.5723 16.4244 16.4244 17.1177 17.1177 18.7273 18.7273 19.1415 19.1415 k = 0.4375 0.1083 0.6124 ( 1259 PWs) bands (ev): -49.1638 -49.1638 -23.4787 -23.4787 -15.9376 -15.9376 -15.7628 -15.7628 -4.9098 -4.9098 -4.6473 -4.6473 6.4218 6.4218 7.4991 7.4991 8.9886 8.9886 9.6768 9.6768 10.6169 10.6169 11.5638 11.5638 16.3923 16.3923 17.1347 17.1347 18.7238 18.7238 19.1652 19.1652 k = 0.4318 0.1181 0.6124 ( 1265 PWs) bands (ev): -49.1639 -49.1639 -23.4787 -23.4787 -15.9391 -15.9391 -15.7605 -15.7605 -4.9141 -4.9141 -4.6453 -4.6453 6.3956 6.3956 7.5572 7.5572 8.9481 8.9481 9.6894 9.6894 10.6209 10.6209 11.5558 11.5558 16.3613 16.3613 17.1509 17.1509 18.7209 18.7209 19.1875 19.1875 k = 0.4261 0.1279 0.6124 ( 1265 PWs) bands (ev): -49.1639 -49.1639 -23.4786 -23.4786 -15.9404 -15.9404 -15.7583 -15.7583 -4.9184 -4.9184 -4.6432 -4.6432 6.3716 6.3716 7.6147 7.6147 8.9073 8.9073 9.7009 9.7009 10.6244 10.6244 11.5484 11.5484 16.3319 16.3319 17.1660 17.1660 18.7187 18.7187 19.2082 19.2082 k = 0.4205 0.1378 0.6124 ( 1267 PWs) bands (ev): -49.1639 -49.1639 -23.4785 -23.4785 -15.9416 -15.9416 -15.7562 -15.7562 -4.9225 -4.9225 -4.6413 -4.6413 6.3499 6.3499 7.6709 7.6709 8.8665 8.8665 9.7111 9.7111 10.6275 10.6275 11.5416 11.5416 16.3045 16.3045 17.1800 17.1800 18.7169 18.7169 19.2270 19.2270 k = 0.4148 0.1476 0.6124 ( 1267 PWs) bands (ev): -49.1639 -49.1639 -23.4784 -23.4784 -15.9427 -15.9427 -15.7543 -15.7543 -4.9264 -4.9264 -4.6394 -4.6394 6.3306 6.3306 7.7252 7.7252 8.8262 8.8262 9.7201 9.7201 10.6301 10.6301 11.5355 11.5355 16.2795 16.2795 17.1926 17.1926 18.7154 18.7155 19.2438 19.2438 k = 0.4091 0.1575 0.6124 ( 1267 PWs) bands (ev): -49.1639 -49.1639 -23.4783 -23.4783 -15.9438 -15.9438 -15.7525 -15.7525 -4.9299 -4.9299 -4.6376 -4.6376 6.3138 6.3138 7.7768 7.7768 8.7871 8.7871 9.7279 9.7279 10.6322 10.6322 11.5303 11.5303 16.2571 16.2571 17.2038 17.2038 18.7144 18.7144 19.2585 19.2585 k = 0.4034 0.1673 0.6124 ( 1268 PWs) bands (ev): -49.1640 -49.1640 -23.4782 -23.4782 -15.9446 -15.9446 -15.7510 -15.7510 -4.9329 -4.9329 -4.6361 -4.6361 6.2994 6.2994 7.8246 7.8246 8.7501 8.7501 9.7345 9.7345 10.6339 10.6339 11.5259 11.5259 16.2377 16.2377 17.2134 17.2134 18.7136 18.7136 19.2711 19.2711 k = 0.3977 0.1771 0.6124 ( 1270 PWs) bands (ev): -49.1640 -49.1640 -23.4782 -23.4782 -15.9454 -15.9454 -15.7498 -15.7498 -4.9355 -4.9355 -4.6348 -4.6348 6.2876 6.2876 7.8675 7.8675 8.7162 8.7162 9.7399 9.7399 10.6352 10.6352 11.5223 11.5223 16.2216 16.2216 17.2214 17.2214 18.7130 18.7130 19.2814 19.2814 k = 0.3920 0.1870 0.6124 ( 1268 PWs) bands (ev): -49.1640 -49.1640 -23.4781 -23.4781 -15.9459 -15.9459 -15.7488 -15.7488 -4.9376 -4.9376 -4.6337 -4.6337 6.2784 6.2784 7.9038 7.9038 8.6870 8.6870 9.7441 9.7441 10.6361 10.6361 11.5195 11.5195 16.2088 16.2088 17.2277 17.2277 18.7126 18.7126 19.2894 19.2894 k = 0.3864 0.1968 0.6124 ( 1264 PWs) bands (ev): -49.1640 -49.1640 -23.4780 -23.4780 -15.9463 -15.9463 -15.7479 -15.7479 -4.9391 -4.9391 -4.6329 -4.6329 6.2719 6.2719 7.9317 7.9317 8.6642 8.6642 9.7471 9.7471 10.6367 10.6367 11.5175 11.5175 16.1995 16.1995 17.2322 17.2322 18.7123 18.7123 19.2951 19.2951 k = 0.3807 0.2067 0.6124 ( 1260 PWs) bands (ev): -49.1640 -49.1640 -23.4779 -23.4779 -15.9465 -15.9465 -15.7474 -15.7474 -4.9400 -4.9400 -4.6325 -4.6325 6.2679 6.2679 7.9495 7.9495 8.6496 8.6496 9.7489 9.7489 10.6371 10.6371 11.5163 11.5163 16.1940 16.1940 17.2350 17.2350 18.7121 18.7121 19.2986 19.2986 k = 0.3750 0.2165 0.6124 ( 1260 PWs) bands (ev): -49.1640 -49.1640 -23.4778 -23.4778 -15.9466 -15.9466 -15.7473 -15.7473 -4.9403 -4.9403 -4.6323 -4.6323 6.2666 6.2666 7.9556 7.9556 8.6445 8.6445 9.7496 9.7496 10.6372 10.6372 11.5159 11.5159 16.1921 16.1921 17.2359 17.2359 18.7121 18.7121 19.2997 19.2997 k = 0.3750 0.2165 0.6124 ( 1260 PWs) bands (ev): -49.1640 -49.1640 -23.4778 -23.4778 -15.9466 -15.9466 -15.7473 -15.7473 -4.9403 -4.9403 -4.6323 -4.6323 6.2666 6.2666 7.9556 7.9556 8.6445 8.6445 9.7496 9.7496 10.6372 10.6372 11.5159 11.5159 16.1921 16.1921 17.2359 17.2359 18.7121 18.7121 19.2997 19.2997 k = 0.3693 0.2132 0.6031 ( 1260 PWs) bands (ev): -49.1640 -49.1640 -23.4775 -23.4775 -15.9435 -15.9435 -15.7485 -15.7485 -4.9432 -4.9432 -4.6347 -4.6347 6.3180 6.3180 7.9323 7.9323 8.6555 8.6555 9.6928 9.6928 10.6499 10.6499 11.4805 11.4805 16.2064 16.2064 17.2326 17.2326 18.7405 18.7405 19.2810 19.2810 k = 0.3636 0.2099 0.5938 ( 1258 PWs) bands (ev): -49.1641 -49.1641 -23.4770 -23.4770 -15.9404 -15.9404 -15.7493 -15.7493 -4.9467 -4.9467 -4.6371 -4.6371 6.3702 6.3702 7.9109 7.9109 8.6677 8.6677 9.6346 9.6346 10.6617 10.6617 11.4433 11.4433 16.2181 16.2181 17.2291 17.2291 18.7699 18.7699 19.2654 19.2654 k = 0.3580 0.2067 0.5845 ( 1258 PWs) bands (ev): -49.1642 -49.1642 -23.4765 -23.4765 -15.9374 -15.9374 -15.7498 -15.7498 -4.9510 -4.9510 -4.6394 -4.6394 6.4230 6.4230 7.8916 7.8916 8.6811 8.6811 9.5751 9.5751 10.6723 10.6723 11.4049 11.4049 16.2272 16.2272 17.2256 17.2256 18.7998 18.7998 19.2531 19.2531 k = 0.3523 0.2034 0.5753 ( 1262 PWs) bands (ev): -49.1643 -49.1643 -23.4760 -23.4760 -15.9345 -15.9345 -15.7499 -15.7499 -4.9562 -4.9562 -4.6417 -4.6417 6.4760 6.4760 7.8748 7.8748 8.6957 8.6957 9.5145 9.5145 10.6810 10.6810 11.3655 11.3655 16.2339 16.2339 17.2219 17.2219 18.8299 18.8299 19.2442 19.2442 k = 0.3466 0.2001 0.5660 ( 1278 PWs) bands (ev): -49.1644 -49.1644 -23.4758 -23.4758 -15.9319 -15.9319 -15.7498 -15.7498 -4.9622 -4.9622 -4.6439 -4.6439 6.5290 6.5290 7.8608 7.8608 8.7116 8.7116 9.4529 9.4529 10.6872 10.6872 11.3259 11.3259 16.2384 16.2384 17.2180 17.2180 18.8599 18.8599 19.2388 19.2388 k = 0.3409 0.1968 0.5567 ( 1276 PWs) bands (ev): -49.1645 -49.1645 -23.4751 -23.4751 -15.9292 -15.9292 -15.7489 -15.7489 -4.9692 -4.9692 -4.6458 -4.6458 6.5815 6.5815 7.8501 7.8501 8.7287 8.7287 9.3903 9.3903 10.6901 10.6901 11.2869 11.2869 16.2408 16.2408 17.2140 17.2140 18.8894 18.8894 19.2369 19.2369 k = 0.3352 0.1935 0.5474 ( 1276 PWs) bands (ev): -49.1646 -49.1646 -23.4744 -23.4744 -15.9266 -15.9266 -15.7477 -15.7477 -4.9771 -4.9771 -4.6476 -4.6476 6.6331 6.6331 7.8431 7.8431 8.7471 8.7471 9.3270 9.3270 10.6884 10.6884 11.2496 11.2496 16.2414 16.2414 17.2096 17.2096 18.9179 18.9179 19.2385 19.2385 k = 0.3295 0.1903 0.5381 ( 1276 PWs) bands (ev): -49.1648 -49.1648 -23.4736 -23.4736 -15.9240 -15.9240 -15.7459 -15.7459 -4.9862 -4.9862 -4.6491 -4.6491 6.6834 6.6834 7.8400 7.8400 8.7667 8.7667 9.2629 9.2629 10.6807 10.6807 11.2154 11.2154 16.2404 16.2404 17.2050 17.2050 18.9452 18.9452 19.2436 19.2436 k = 0.3239 0.1870 0.5289 ( 1268 PWs) bands (ev): -49.1649 -49.1649 -23.4726 -23.4726 -15.9214 -15.9214 -15.7436 -15.7436 -4.9964 -4.9964 -4.6503 -4.6503 6.7319 6.7319 7.8414 7.8414 8.7877 8.7877 9.1982 9.1982 10.6658 10.6658 11.1857 11.1857 16.2382 16.2382 17.2001 17.2001 18.9708 18.9708 19.2521 19.2521 k = 0.3182 0.1837 0.5196 ( 1270 PWs) bands (ev): -49.1650 -49.1650 -23.4718 -23.4718 -15.9190 -15.9190 -15.7411 -15.7411 -5.0079 -5.0079 -4.6510 -4.6510 6.7783 6.7783 7.8475 7.8475 8.8099 8.8099 9.1331 9.1331 10.6423 10.6423 11.1617 11.1617 16.2350 16.2350 17.1948 17.1948 18.9945 18.9945 19.2639 19.2639 k = 0.3125 0.1804 0.5103 ( 1270 PWs) bands (ev): -49.1652 -49.1652 -23.4708 -23.4708 -15.9165 -15.9165 -15.7381 -15.7381 -5.0207 -5.0207 -4.6512 -4.6512 6.8220 6.8220 7.8587 7.8587 8.8333 8.8333 9.0676 9.0676 10.6096 10.6096 11.1441 11.1441 16.2310 16.2310 17.1891 17.1891 19.0161 19.0161 19.2789 19.2789 k = 0.3068 0.1771 0.5010 ( 1270 PWs) bands (ev): -49.1653 -49.1653 -23.4698 -23.4698 -15.9139 -15.9139 -15.7347 -15.7347 -5.0349 -5.0349 -4.6507 -4.6507 6.8628 6.8628 7.8753 7.8753 8.8580 8.8580 9.0020 9.0020 10.5677 10.5677 11.1330 11.1330 16.2266 16.2266 17.1830 17.1830 19.0354 19.0354 19.2968 19.2968 k = 0.3011 0.1739 0.4918 ( 1272 PWs) bands (ev): -49.1655 -49.1655 -23.4687 -23.4687 -15.9113 -15.9113 -15.7311 -15.7311 -5.0506 -5.0506 -4.6496 -4.6496 6.9002 6.9002 7.8974 7.8974 8.8830 8.8830 8.9371 8.9371 10.5173 10.5173 11.1276 11.1276 16.2220 16.2220 17.1765 17.1765 19.0522 19.0522 19.3176 19.3176 k = 0.2955 0.1706 0.4825 ( 1262 PWs) bands (ev): -49.1657 -49.1657 -23.4673 -23.4673 -15.9085 -15.9085 -15.7269 -15.7269 -5.0678 -5.0678 -4.6476 -4.6476 6.9342 6.9342 7.9250 7.9250 8.8669 8.8669 8.9147 8.9147 10.4594 10.4594 11.1271 11.1271 16.2175 16.2175 17.1695 17.1695 19.0664 19.0664 19.3411 19.3411 k = 0.2898 0.1673 0.4732 ( 1270 PWs) bands (ev): -49.1659 -49.1659 -23.4663 -23.4663 -15.9057 -15.9057 -15.7227 -15.7227 -5.0867 -5.0867 -4.6447 -4.6447 6.9646 6.9646 7.9581 7.9581 8.8021 8.8021 8.9422 8.9422 10.3952 10.3952 11.1303 11.1303 16.2133 16.2133 17.1619 17.1619 19.0780 19.0780 19.3671 19.3671 k = 0.2841 0.1640 0.4639 ( 1270 PWs) bands (ev): -49.1661 -49.1661 -23.4649 -23.4649 -15.9027 -15.9027 -15.7182 -15.7182 -5.1071 -5.1071 -4.6409 -4.6409 6.9916 6.9916 7.9963 7.9963 8.7363 8.7363 8.9722 8.9722 10.3256 10.3256 11.1364 11.1364 16.2096 16.2096 17.1538 17.1538 19.0869 19.0869 19.3955 19.3955 k = 0.2784 0.1607 0.4546 ( 1272 PWs) bands (ev): -49.1664 -49.1664 -23.4636 -23.4636 -15.8994 -15.8994 -15.7135 -15.7135 -5.1293 -5.1293 -4.6361 -4.6361 7.0153 7.0153 8.0395 8.0395 8.6704 8.6704 9.0038 9.0038 10.2515 10.2515 11.1446 11.1446 16.2066 16.2066 17.1450 17.1450 19.0930 19.0930 19.4264 19.4264 k = 0.2727 0.1575 0.4454 ( 1272 PWs) bands (ev): -49.1666 -49.1666 -23.4622 -23.4622 -15.8958 -15.8958 -15.7087 -15.7087 -5.1531 -5.1531 -4.6303 -4.6303 7.0359 7.0359 8.0871 8.0871 8.6047 8.6047 9.0367 9.0367 10.1736 10.1736 11.1542 11.1542 16.2045 16.2045 17.1356 17.1356 19.0965 19.0965 19.4595 19.4595 k = 0.2670 0.1542 0.4361 ( 1272 PWs) bands (ev): -49.1669 -49.1669 -23.4606 -23.4606 -15.8920 -15.8920 -15.7037 -15.7037 -5.1785 -5.1785 -4.6234 -4.6234 7.0537 7.0537 8.1386 8.1386 8.5394 8.5394 9.0710 9.0710 10.0926 10.0926 11.1647 11.1647 16.2034 16.2034 17.1254 17.1254 19.0974 19.0974 19.4949 19.4949 k = 0.2614 0.1509 0.4268 ( 1272 PWs) bands (ev): -49.1671 -49.1671 -23.4590 -23.4590 -15.8879 -15.8879 -15.6985 -15.6985 -5.2056 -5.2056 -4.6153 -4.6153 7.0691 7.0691 8.1936 8.1936 8.4745 8.4745 9.1067 9.1067 10.0088 10.0088 11.1759 11.1759 16.2032 16.2032 17.1145 17.1145 19.0960 19.0960 19.5324 19.5324 k = 0.2557 0.1476 0.4175 ( 1272 PWs) bands (ev): -49.1674 -49.1674 -23.4574 -23.4574 -15.8835 -15.8835 -15.6933 -15.6933 -5.2342 -5.2342 -4.6061 -4.6061 7.0821 7.0821 8.2514 8.2514 8.4104 8.4104 9.1435 9.1435 9.9229 9.9229 11.1874 11.1874 16.2042 16.2042 17.1027 17.1027 19.0924 19.0924 19.5721 19.5721 k = 0.2500 0.1443 0.4082 ( 1278 PWs) bands (ev): -49.1677 -49.1677 -23.4558 -23.4558 -15.8788 -15.8788 -15.6881 -15.6881 -5.2644 -5.2644 -4.5958 -4.5958 7.0932 7.0932 8.3090 8.3090 8.3497 8.3497 9.1814 9.1814 9.8352 9.8352 11.1989 11.1989 16.2063 16.2063 17.0901 17.0901 19.0871 19.0871 19.6138 19.6138 k = 0.2443 0.1411 0.3990 ( 1274 PWs) bands (ev): -49.1680 -49.1680 -23.4539 -23.4539 -15.8737 -15.8737 -15.6828 -15.6828 -5.2960 -5.2960 -4.5844 -4.5844 7.1025 7.1025 8.2802 8.2802 8.3783 8.3783 9.2202 9.2202 9.7463 9.7463 11.2104 11.2104 16.2093 16.2093 17.0765 17.0765 19.0803 19.0803 19.6575 19.6575 k = 0.2386 0.1378 0.3897 ( 1274 PWs) bands (ev): -49.1683 -49.1683 -23.4520 -23.4520 -15.8682 -15.8682 -15.6775 -15.6775 -5.3290 -5.3290 -4.5718 -4.5718 7.1102 7.1102 8.2183 8.2183 8.4427 8.4427 9.2591 9.2591 9.6572 9.6572 11.2216 11.2216 16.2134 16.2134 17.0619 17.0619 19.0725 19.0725 19.7030 19.7030 k = 0.2330 0.1345 0.3804 ( 1276 PWs) bands (ev): -49.1686 -49.1686 -23.4501 -23.4501 -15.8625 -15.8625 -15.6722 -15.6722 -5.3634 -5.3634 -4.5582 -4.5582 7.1163 7.1163 8.1565 8.1565 8.5095 8.5095 9.2962 9.2962 9.5699 9.5699 11.2324 11.2324 16.2182 16.2182 17.0463 17.0463 19.0640 19.0640 19.7504 19.7504 k = 0.2273 0.1312 0.3711 ( 1283 PWs) bands (ev): -49.1689 -49.1689 -23.4483 -23.4483 -15.8564 -15.8564 -15.6671 -15.6671 -5.3990 -5.3990 -4.5434 -4.5434 7.1209 7.1209 8.0954 8.0954 8.5780 8.5780 9.3241 9.3241 9.4923 9.4923 11.2427 11.2427 16.2236 16.2236 17.0296 17.0296 19.0553 19.0553 19.7996 19.7996 k = 0.2216 0.1279 0.3619 ( 1279 PWs) bands (ev): -49.1692 -49.1692 -23.4462 -23.4462 -15.8498 -15.8498 -15.6618 -15.6618 -5.4357 -5.4357 -4.5276 -4.5276 7.1242 7.1242 8.0350 8.0350 8.6479 8.6479 9.3116 9.3116 9.4556 9.4556 11.2526 11.2526 16.2294 16.2294 17.0117 17.0117 19.0466 19.0466 19.8504 19.8504 k = 0.2159 0.1247 0.3526 ( 1279 PWs) bands (ev): -49.1696 -49.1696 -23.4441 -23.4441 -15.8429 -15.8429 -15.6567 -15.6567 -5.4735 -5.4735 -4.5107 -4.5107 7.1261 7.1261 7.9756 7.9756 8.7190 8.7190 9.2432 9.2432 9.4756 9.4756 11.2618 11.2618 16.2353 16.2353 16.9926 16.9926 19.0384 19.0384 19.9029 19.9029 k = 0.2102 0.1214 0.3433 ( 1275 PWs) bands (ev): -49.1699 -49.1699 -23.4419 -23.4419 -15.8356 -15.8356 -15.6515 -15.6515 -5.5123 -5.5123 -4.4928 -4.4928 7.1267 7.1267 7.9171 7.9171 8.7910 8.7910 9.1558 9.1558 9.5157 9.5157 11.2703 11.2703 16.2411 16.2411 16.9722 16.9722 19.0308 19.0308 19.9569 19.9569 k = 0.2045 0.1181 0.3340 ( 1275 PWs) bands (ev): -49.1702 -49.1702 -23.4397 -23.4397 -15.8280 -15.8280 -15.6465 -15.6465 -5.5519 -5.5519 -4.4740 -4.4740 7.1260 7.1260 7.8596 7.8596 8.8630 8.8630 9.0642 9.0642 9.5619 9.5619 11.2782 11.2782 16.2465 16.2465 16.9505 16.9505 19.0241 19.0241 20.0125 20.0125 k = 0.1989 0.1148 0.3247 ( 1267 PWs) bands (ev): -49.1706 -49.1706 -23.4373 -23.4373 -15.8199 -15.8199 -15.6416 -15.6416 -5.5922 -5.5922 -4.4542 -4.4542 7.1239 7.1239 7.8031 7.8031 8.9240 8.9240 8.9830 8.9830 9.6111 9.6111 11.2854 11.2854 16.2512 16.2512 16.9275 16.9275 19.0183 19.0183 20.0695 20.0695 k = 0.1932 0.1115 0.3155 ( 1273 PWs) bands (ev): -49.1710 -49.1710 -23.4352 -23.4352 -15.8118 -15.8118 -15.6369 -15.6369 -5.6332 -5.6332 -4.4336 -4.4336 7.1206 7.1206 7.7478 7.7478 8.8648 8.8648 9.0221 9.0221 9.6624 9.6624 11.2918 11.2918 16.2549 16.2549 16.9031 16.9031 19.0132 19.0132 20.1279 20.1279 k = 0.1875 0.1083 0.3062 ( 1273 PWs) bands (ev): -49.1713 -49.1713 -23.4329 -23.4329 -15.8032 -15.8032 -15.6322 -15.6322 -5.6747 -5.6747 -4.4121 -4.4121 7.1159 7.1159 7.6936 7.6936 8.7712 8.7712 9.0964 9.0964 9.7153 9.7153 11.2975 11.2975 16.2573 16.2573 16.8773 16.8773 19.0088 19.0088 20.1876 20.1876 k = 0.1818 0.1050 0.2969 ( 1273 PWs) bands (ev): -49.1717 -49.1717 -23.4306 -23.4306 -15.7944 -15.7944 -15.6277 -15.6277 -5.7166 -5.7166 -4.3899 -4.3899 7.1100 7.1100 7.6407 7.6407 8.6759 8.6759 9.1734 9.1734 9.7696 9.7696 11.3024 11.3024 16.2581 16.2581 16.8500 16.8500 19.0044 19.0044 20.2487 20.2487 k = 0.1761 0.1017 0.2876 ( 1273 PWs) bands (ev): -49.1721 -49.1721 -23.4283 -23.4283 -15.7853 -15.7853 -15.6233 -15.6233 -5.7589 -5.7589 -4.3670 -4.3670 7.1028 7.1028 7.5890 7.5890 8.5806 8.5806 9.2517 9.2517 9.8251 9.8251 11.3066 11.3066 16.2573 16.2573 16.8213 16.8213 18.9996 18.9996 20.3108 20.3108 k = 0.1705 0.0984 0.2784 ( 1271 PWs) bands (ev): -49.1724 -49.1724 -23.4259 -23.4259 -15.7759 -15.7759 -15.6191 -15.6191 -5.8013 -5.8013 -4.3434 -4.3434 7.0944 7.0944 7.5385 7.5385 8.4858 8.4858 9.3310 9.3310 9.8817 9.8817 11.3101 11.3101 16.2547 16.2547 16.7912 16.7912 18.9936 18.9936 20.3741 20.3741 k = 0.1648 0.0951 0.2691 ( 1279 PWs) bands (ev): -49.1728 -49.1728 -23.4237 -23.4237 -15.7666 -15.7666 -15.6150 -15.6150 -5.8438 -5.8438 -4.3193 -4.3193 7.0849 7.0849 7.4894 7.4894 8.3916 8.3916 9.4112 9.4112 9.9393 9.9393 11.3129 11.3129 16.2500 16.2500 16.7597 16.7597 18.9853 18.9853 20.4383 20.4383 k = 0.1591 0.0919 0.2598 ( 1279 PWs) bands (ev): -49.1732 -49.1732 -23.4214 -23.4214 -15.7570 -15.7570 -15.6110 -15.6110 -5.8863 -5.8863 -4.2946 -4.2946 7.0742 7.0742 7.4417 7.4417 8.2984 8.2984 9.4922 9.4922 9.9978 9.9978 11.3150 11.3150 16.2434 16.2434 16.7267 16.7267 18.9739 18.9739 20.5033 20.5033 k = 0.1534 0.0886 0.2505 ( 1279 PWs) bands (ev): -49.1736 -49.1736 -23.4191 -23.4191 -15.7471 -15.7471 -15.6072 -15.6072 -5.9286 -5.9286 -4.2695 -4.2695 7.0626 7.0626 7.3953 7.3953 8.2063 8.2063 9.5740 9.5740 10.0571 10.0571 11.3165 11.3165 16.2348 16.2348 16.6924 16.6924 18.9580 18.9580 20.5688 20.5688 k = 0.1477 0.0853 0.2412 ( 1279 PWs) bands (ev): -49.1739 -49.1739 -23.4168 -23.4168 -15.7372 -15.7372 -15.6035 -15.6035 -5.9706 -5.9706 -4.2441 -4.2441 7.0500 7.0500 7.3504 7.3504 8.1156 8.1156 9.6563 9.6563 10.1171 10.1171 11.3174 11.3174 16.2242 16.2242 16.6568 16.6568 18.9368 18.9368 20.6346 20.6346 k = 0.1420 0.0820 0.2320 ( 1279 PWs) bands (ev): -49.1743 -49.1743 -23.4145 -23.4145 -15.7271 -15.7271 -15.6000 -15.6000 -6.0122 -6.0122 -4.2185 -4.2185 7.0365 7.0365 7.3069 7.3069 8.0263 8.0263 9.7392 9.7392 10.1776 10.1776 11.3177 11.3177 16.2118 16.2118 16.6198 16.6198 18.9093 18.9093 20.7005 20.7005 k = 0.1364 0.0787 0.2227 ( 1275 PWs) bands (ev): -49.1746 -49.1746 -23.4121 -23.4121 -15.7170 -15.7170 -15.5966 -15.5966 -6.0533 -6.0533 -4.1926 -4.1926 7.0224 7.0224 7.2649 7.2649 7.9387 7.9387 9.8224 9.8224 10.2385 10.2385 11.3175 11.3175 16.1977 16.1977 16.5817 16.5817 18.8750 18.8750 20.7661 20.7661 k = 0.1307 0.0754 0.2134 ( 1275 PWs) bands (ev): -49.1750 -49.1750 -23.4098 -23.4098 -15.7069 -15.7069 -15.5934 -15.5934 -6.0938 -6.0938 -4.1667 -4.1667 7.0076 7.0076 7.2245 7.2245 7.8530 7.8530 9.9058 9.9058 10.2997 10.2997 11.3168 11.3168 16.1819 16.1819 16.5425 16.5425 18.8333 18.8333 20.8311 20.8311 k = 0.1250 0.0722 0.2041 ( 1275 PWs) bands (ev): -49.1753 -49.1753 -23.4076 -23.4076 -15.6968 -15.6968 -15.5903 -15.5903 -6.1336 -6.1336 -4.1409 -4.1409 6.9922 6.9922 7.1856 7.1856 7.7694 7.7694 9.9893 9.9893 10.3610 10.3610 11.3157 11.3157 16.1648 16.1648 16.5022 16.5022 18.7845 18.7845 20.8951 20.8951 k = 0.1193 0.0689 0.1948 ( 1275 PWs) bands (ev): -49.1757 -49.1757 -23.4055 -23.4055 -15.6868 -15.6868 -15.5874 -15.5874 -6.1725 -6.1725 -4.1151 -4.1151 6.9765 6.9765 7.1483 7.1483 7.6879 7.6879 10.0727 10.0727 10.4224 10.4224 11.3142 11.3142 16.1464 16.1464 16.4611 16.4611 18.7288 18.7288 20.9582 20.9582 k = 0.1136 0.0656 0.1856 ( 1283 PWs) bands (ev): -49.1760 -49.1760 -23.4035 -23.4035 -15.6771 -15.6771 -15.5847 -15.5847 -6.2105 -6.2105 -4.0896 -4.0896 6.9605 6.9605 7.1126 7.1126 7.6089 7.6089 10.1556 10.1556 10.4835 10.4835 11.3124 11.3124 16.1270 16.1270 16.4192 16.4192 18.6670 18.6670 21.0204 21.0204 k = 0.1080 0.0623 0.1763 ( 1283 PWs) bands (ev): -49.1764 -49.1764 -23.4015 -23.4015 -15.6673 -15.6673 -15.5821 -15.5821 -6.2473 -6.2473 -4.0644 -4.0644 6.9443 6.9443 7.0785 7.0785 7.5323 7.5323 10.2379 10.2379 10.5442 10.5442 11.3104 11.3104 16.1068 16.1068 16.3768 16.3768 18.5999 18.5999 21.0823 21.0823 k = 0.1023 0.0590 0.1670 ( 1281 PWs) bands (ev): -49.1767 -49.1767 -23.3995 -23.3995 -15.6578 -15.6578 -15.5797 -15.5797 -6.2830 -6.2830 -4.0396 -4.0396 6.9281 6.9281 7.0460 7.0460 7.4585 7.4585 10.3193 10.3193 10.6045 10.6045 11.3082 11.3082 16.0860 16.0860 16.3339 16.3339 18.5286 18.5286 21.1442 21.1442 k = 0.0966 0.0558 0.1577 ( 1281 PWs) bands (ev): -49.1770 -49.1770 -23.3975 -23.3975 -15.6484 -15.6484 -15.5774 -15.5774 -6.3175 -6.3175 -4.0154 -4.0154 6.9119 6.9119 7.0152 7.0152 7.3876 7.3876 10.3995 10.3995 10.6639 10.6639 11.3059 11.3059 16.0646 16.0646 16.2910 16.2910 18.4542 18.4542 21.2067 21.2067 k = 0.0909 0.0525 0.1485 ( 1277 PWs) bands (ev): -49.1773 -49.1773 -23.3956 -23.3956 -15.6393 -15.6393 -15.5751 -15.5751 -6.3505 -6.3505 -3.9918 -3.9918 6.8959 6.8959 6.9861 6.9861 7.3198 7.3198 10.4780 10.4780 10.7224 10.7224 11.3035 11.3035 16.0431 16.0431 16.2481 16.2481 18.3776 18.3776 21.2697 21.2697 k = 0.0852 0.0492 0.1392 ( 1277 PWs) bands (ev): -49.1776 -49.1776 -23.3938 -23.3938 -15.6306 -15.6306 -15.5731 -15.5731 -6.3821 -6.3821 -3.9690 -3.9690 6.8802 6.8802 6.9588 6.9588 7.2551 7.2551 10.5545 10.5545 10.7797 10.7797 11.3011 11.3011 16.0214 16.0214 16.2055 16.2055 18.3001 18.3001 21.3333 21.3333 k = 0.0795 0.0459 0.1299 ( 1277 PWs) bands (ev): -49.1778 -49.1778 -23.3922 -23.3922 -15.6222 -15.6222 -15.5713 -15.5713 -6.4121 -6.4121 -3.9471 -3.9471 6.8649 6.8649 6.9331 6.9331 7.1939 7.1939 10.6286 10.6286 10.8356 10.8356 11.2989 11.2989 15.9998 15.9998 16.1635 16.1635 18.2226 18.2226 21.3970 21.3970 k = 0.0739 0.0426 0.1206 ( 1277 PWs) bands (ev): -49.1781 -49.1781 -23.3906 -23.3906 -15.6142 -15.6142 -15.5696 -15.5696 -6.4404 -6.4404 -3.9261 -3.9261 6.8500 6.8500 6.9092 6.9092 7.1362 7.1362 10.6998 10.6998 10.8899 10.8899 11.2968 11.2968 15.9786 15.9786 16.1223 16.1223 18.1461 18.1461 21.4603 21.4603 k = 0.0682 0.0394 0.1113 ( 1277 PWs) bands (ev): -49.1783 -49.1783 -23.3891 -23.3891 -15.6066 -15.6066 -15.5680 -15.5680 -6.4671 -6.4671 -3.9062 -3.9062 6.8357 6.8357 6.8871 6.8871 7.0822 7.0822 10.7675 10.7675 10.9424 10.9424 11.2950 11.2950 15.9577 15.9577 16.0824 16.0824 18.0714 18.0714 21.5226 21.5226 k = 0.0625 0.0361 0.1021 ( 1277 PWs) bands (ev): -49.1785 -49.1785 -23.3877 -23.3877 -15.5994 -15.5994 -15.5666 -15.5666 -6.4919 -6.4919 -3.8875 -3.8875 6.8221 6.8221 6.8667 6.8667 7.0320 7.0320 10.8312 10.8312 10.9929 10.9929 11.2936 11.2936 15.9375 15.9375 16.0440 16.0440 17.9996 17.9996 21.5834 21.5834 k = 0.0568 0.0328 0.0928 ( 1265 PWs) bands (ev): -49.1787 -49.1787 -23.3862 -23.3862 -15.5926 -15.5926 -15.5651 -15.5651 -6.5147 -6.5147 -3.8700 -3.8700 6.8092 6.8092 6.8480 6.8480 6.9859 6.9859 10.8902 10.8902 11.0411 11.0411 11.2927 11.2927 15.9181 15.9181 16.0074 16.0074 17.9313 17.9313 21.6419 21.6419 k = 0.0511 0.0295 0.0835 ( 1265 PWs) bands (ev): -49.1789 -49.1789 -23.3850 -23.3850 -15.5865 -15.5865 -15.5639 -15.5639 -6.5357 -6.5357 -3.8539 -3.8539 6.7972 6.7972 6.8310 6.8310 6.9440 6.9440 10.9440 10.9440 11.0868 11.0868 11.2924 11.2924 15.8997 15.8997 15.9729 15.9729 17.8673 17.8673 21.6975 21.6975 k = 0.0455 0.0262 0.0742 ( 1261 PWs) bands (ev): -49.1790 -49.1790 -23.3838 -23.3838 -15.5809 -15.5809 -15.5628 -15.5628 -6.5546 -6.5546 -3.8392 -3.8392 6.7860 6.7860 6.8156 6.8156 6.9066 6.9066 10.9919 10.9919 11.1297 11.1297 11.2930 11.2930 15.8825 15.8825 15.9410 15.9410 17.8082 17.8082 21.7494 21.7495 k = 0.0398 0.0230 0.0649 ( 1251 PWs) bands (ev): -49.1792 -49.1792 -23.3827 -23.3827 -15.5757 -15.5757 -15.5618 -15.5618 -6.5714 -6.5714 -3.8261 -3.8261 6.7758 6.7758 6.8016 6.8016 6.8738 6.8738 11.0335 11.0335 11.1694 11.1694 11.2944 11.2944 15.8667 15.8667 15.9119 15.9119 17.7546 17.7546 21.7972 21.7972 k = 0.0341 0.0197 0.0557 ( 1251 PWs) bands (ev): -49.1793 -49.1793 -23.3819 -23.3819 -15.5713 -15.5713 -15.5610 -15.5610 -6.5861 -6.5861 -3.8146 -3.8146 6.7668 6.7668 6.7887 6.7887 6.8460 6.8460 11.0685 11.0685 11.2055 11.2055 11.2967 11.2967 15.8525 15.8525 15.8859 15.8859 17.7071 17.7071 21.8400 21.8400 k = 0.0284 0.0164 0.0464 ( 1247 PWs) bands (ev): -49.1794 -49.1794 -23.3811 -23.3811 -15.5675 -15.5675 -15.5603 -15.5603 -6.5986 -6.5986 -3.8047 -3.8047 6.7589 6.7589 6.7768 6.7768 6.8235 6.8235 11.0969 11.0969 11.2373 11.2373 11.2999 11.2999 15.8400 15.8400 15.8634 15.8634 17.6661 17.6661 21.8774 21.8775 k = 0.0227 0.0131 0.0371 ( 1243 PWs) bands (ev): -49.1795 -49.1795 -23.3804 -23.3804 -15.5643 -15.5643 -15.5598 -15.5598 -6.6089 -6.6089 -3.7965 -3.7965 6.7524 6.7524 6.7655 6.7655 6.8066 6.8066 11.1188 11.1188 11.2643 11.2643 11.3038 11.3038 15.8295 15.8295 15.8446 15.8446 17.6320 17.6320 21.9087 21.9088 k = 0.0170 0.0098 0.0278 ( 1243 PWs) bands (ev): -49.1796 -49.1796 -23.3800 -23.3800 -15.5619 -15.5619 -15.5594 -15.5594 -6.6169 -6.6169 -3.7901 -3.7901 6.7472 6.7472 6.7554 6.7554 6.7947 6.7947 11.1349 11.1349 11.2859 11.2859 11.3078 11.3078 15.8212 15.8212 15.8297 15.8297 17.6051 17.6051 21.9336 21.9336 k = 0.0114 0.0066 0.0186 ( 1243 PWs) bands (ev): -49.1796 -49.1796 -23.3797 -23.3797 -15.5602 -15.5602 -15.5591 -15.5591 -6.6227 -6.6227 -3.7855 -3.7855 6.7434 6.7434 6.7473 6.7473 6.7871 6.7871 11.1457 11.1457 11.3017 11.3017 11.3113 11.3113 15.8151 15.8151 15.8189 15.8189 17.5858 17.5858 21.9518 21.9541 k = 0.0057 0.0033 0.0093 ( 1243 PWs) bands (ev): -49.1796 -49.1796 -23.3795 -23.3795 -15.5592 -15.5592 -15.5589 -15.5589 -6.6261 -6.6261 -3.7828 -3.7828 6.7411 6.7411 6.7421 6.7421 6.7829 6.7829 11.1518 11.1518 11.3113 11.3113 11.3137 11.3137 15.8114 15.8114 15.8124 15.8124 17.5741 17.5741 21.9630 21.9639 k = 0.0000 0.0000 0.0000 ( 1243 PWs) bands (ev): -49.1797 -49.1797 -23.3794 -23.3794 -15.5588 -15.5588 -15.5588 -15.5588 -6.6273 -6.6273 -3.7819 -3.7819 6.7403 6.7403 6.7403 6.7403 6.7816 6.7816 11.1538 11.1538 11.3146 11.3146 11.3146 11.3146 15.8102 15.8102 15.8102 15.8102 17.5702 17.5702 21.9662 21.9662 k = 0.0000 0.0000 0.0000 ( 1243 PWs) bands (ev): -49.1797 -49.1797 -23.3794 -23.3794 -15.5588 -15.5588 -15.5588 -15.5588 -6.6273 -6.6273 -3.7819 -3.7819 6.7403 6.7403 6.7403 6.7403 6.7816 6.7816 11.1538 11.1538 11.3146 11.3146 11.3146 11.3146 15.8102 15.8102 15.8102 15.8102 17.5702 17.5702 21.9662 21.9662 k = 0.0093 0.0053 0.0038 ( 1243 PWs) bands (ev): -49.1796 -49.1796 -23.3795 -23.3795 -15.5592 -15.5592 -15.5589 -15.5589 -6.6262 -6.6262 -3.7828 -3.7828 6.7412 6.7412 6.7421 6.7421 6.7829 6.7829 11.1519 11.1519 11.3121 11.3121 11.3129 11.3129 15.8118 15.8118 15.8120 15.8120 17.5741 17.5741 21.9625 21.9637 k = 0.0185 0.0107 0.0076 ( 1243 PWs) bands (ev): -49.1796 -49.1796 -23.3797 -23.3797 -15.5602 -15.5602 -15.5590 -15.5590 -6.6227 -6.6227 -3.7855 -3.7855 6.7437 6.7437 6.7470 6.7470 6.7871 6.7871 11.1459 11.1459 11.3048 11.3048 11.3080 11.3080 15.8165 15.8165 15.8174 15.8174 17.5857 17.5857 21.9514 21.9599 k = 0.0278 0.0160 0.0113 ( 1243 PWs) bands (ev): -49.1796 -49.1796 -23.3800 -23.3800 -15.5620 -15.5620 -15.5593 -15.5593 -6.6170 -6.6170 -3.7901 -3.7901 6.7478 6.7478 6.7548 6.7548 6.7945 6.7945 11.1360 11.1360 11.2928 11.2928 11.2999 11.2999 15.8244 15.8244 15.8264 15.8264 17.6050 17.6050 21.9328 21.9335 k = 0.0370 0.0214 0.0151 ( 1243 PWs) bands (ev): -49.1795 -49.1795 -23.3804 -23.3804 -15.5645 -15.5645 -15.5596 -15.5596 -6.6090 -6.6090 -3.7965 -3.7965 6.7536 6.7536 6.7646 6.7646 6.8059 6.8059 11.1222 11.1222 11.2763 11.2763 11.2887 11.2887 15.8353 15.8353 15.8389 15.8389 17.6317 17.6317 21.9070 21.9072 k = 0.0463 0.0267 0.0189 ( 1249 PWs) bands (ev): -49.1794 -49.1794 -23.3811 -23.3811 -15.5678 -15.5678 -15.5601 -15.5601 -6.5987 -6.5987 -3.8046 -3.8046 6.7610 6.7610 6.7756 6.7756 6.8221 6.8221 11.1043 11.1043 11.2555 11.2555 11.2745 11.2745 15.8490 15.8490 15.8547 15.8547 17.6655 17.6655 21.8738 21.8738 k = 0.0556 0.0321 0.0227 ( 1249 PWs) bands (ev): -49.1793 -49.1793 -23.3818 -23.3818 -15.5716 -15.5716 -15.5606 -15.5606 -6.5863 -6.5863 -3.8144 -3.8144 6.7700 6.7700 6.7873 6.7873 6.8434 6.8434 11.0824 11.0824 11.2310 11.2310 11.2573 11.2573 15.8655 15.8655 15.8736 15.8736 17.7062 17.7062 21.8337 21.8338 k = 0.0648 0.0374 0.0265 ( 1255 PWs) bands (ev): -49.1792 -49.1792 -23.3828 -23.3828 -15.5762 -15.5762 -15.5613 -15.5613 -6.5717 -6.5717 -3.8259 -3.8259 6.7806 6.7806 6.7997 6.7997 6.8697 6.8697 11.0563 11.0563 11.2032 11.2032 11.2374 11.2374 15.8846 15.8846 15.8955 15.8955 17.7533 17.7533 21.7870 21.7870 k = 0.0741 0.0428 0.0302 ( 1261 PWs) bands (ev): -49.1790 -49.1790 -23.3838 -23.3838 -15.5815 -15.5815 -15.5621 -15.5621 -6.5550 -6.5550 -3.8389 -3.8389 6.7928 6.7928 6.8130 6.8130 6.9007 6.9007 11.0261 11.0261 11.1725 11.1725 11.2150 11.2150 15.9059 15.9059 15.9201 15.9201 17.8063 17.8063 21.7341 21.7341 k = 0.0833 0.0481 0.0340 ( 1261 PWs) bands (ev): -49.1789 -49.1789 -23.3849 -23.3849 -15.5872 -15.5872 -15.5629 -15.5629 -6.5363 -6.5363 -3.8534 -3.8534 6.8064 6.8064 6.8273 6.8273 6.9360 6.9360 10.9918 10.9918 11.1395 11.1395 11.1902 11.1902 15.9293 15.9293 15.9473 15.9473 17.8647 17.8647 21.6757 21.6757 k = 0.0926 0.0535 0.0378 ( 1267 PWs) bands (ev): -49.1787 -49.1787 -23.3862 -23.3862 -15.5937 -15.5937 -15.5639 -15.5639 -6.5156 -6.5156 -3.8693 -3.8693 6.8215 6.8215 6.8429 6.8429 6.9755 6.9755 10.9532 10.9532 11.1047 11.1047 11.1633 11.1633 15.9546 15.9546 15.9766 15.9766 17.9280 17.9280 21.6124 21.6124 k = 0.1019 0.0588 0.0416 ( 1267 PWs) bands (ev): -49.1785 -49.1785 -23.3874 -23.3874 -15.6005 -15.6005 -15.5648 -15.5648 -6.4930 -6.4930 -3.8866 -3.8866 6.8381 6.8381 6.8596 6.8596 7.0188 7.0188 10.9105 10.9105 11.0686 11.0686 11.1344 11.1344 15.9814 15.9814 16.0079 16.0079 17.9954 17.9954 21.5451 21.5451 k = 0.1111 0.0642 0.0454 ( 1273 PWs) bands (ev): -49.1783 -49.1783 -23.3890 -23.3890 -15.6080 -15.6080 -15.5660 -15.5660 -6.4685 -6.4685 -3.9050 -3.9050 6.8560 6.8560 6.8776 6.8776 7.0656 7.0656 10.8640 10.8640 11.0313 11.0313 11.1038 11.1038 16.0095 16.0095 16.0409 16.0409 18.0662 18.0662 21.4747 21.4747 k = 0.1204 0.0695 0.0491 ( 1273 PWs) bands (ev): -49.1781 -49.1781 -23.3904 -23.3904 -15.6159 -15.6159 -15.5672 -15.5672 -6.4423 -6.4423 -3.9246 -3.9246 6.8753 6.8753 6.8968 6.8968 7.1158 7.1158 10.8139 10.8139 10.9933 10.9933 11.0717 11.0717 16.0385 16.0385 16.0753 16.0753 18.1397 18.1397 21.4025 21.4025 k = 0.1296 0.0748 0.0529 ( 1279 PWs) bands (ev): -49.1778 -49.1778 -23.3921 -23.3921 -15.6244 -15.6244 -15.5685 -15.5685 -6.4145 -6.4145 -3.9452 -3.9452 6.8958 6.8958 6.9173 6.9173 7.1692 7.1692 10.7607 10.7607 10.9546 10.9546 11.0383 11.0383 16.0683 16.0683 16.1107 16.1107 18.2149 18.2149 21.3294 21.3294 k = 0.1389 0.0802 0.0567 ( 1279 PWs) bands (ev): -49.1776 -49.1776 -23.3938 -23.3938 -15.6332 -15.6332 -15.5698 -15.5698 -6.3851 -6.3851 -3.9666 -3.9666 6.9176 6.9176 6.9389 6.9389 7.2255 7.2255 10.7046 10.7046 10.9154 10.9154 11.0039 11.0039 16.0985 16.0985 16.1469 16.1469 18.2910 18.2910 21.2568 21.2568 k = 0.1481 0.0855 0.0605 ( 1279 PWs) bands (ev): -49.1773 -49.1773 -23.3955 -23.3955 -15.6425 -15.6425 -15.5711 -15.5711 -6.3543 -6.3543 -3.9888 -3.9888 6.9404 6.9404 6.9616 6.9616 7.2845 7.2845 10.6461 10.6461 10.8758 10.8758 10.9686 10.9686 16.1289 16.1289 16.1835 16.1835 18.3668 18.3668 21.1860 21.1860 k = 0.1574 0.0909 0.0643 ( 1278 PWs) bands (ev): -49.1770 -49.1770 -23.3973 -23.3973 -15.6520 -15.6520 -15.5725 -15.5725 -6.3223 -6.3223 -4.0117 -4.0117 6.9643 6.9643 6.9854 6.9854 7.3460 7.3460 10.5857 10.5857 10.8359 10.8359 10.9327 10.9327 16.1591 16.1591 16.2204 16.2204 18.4411 18.4411 21.1185 21.1185 k = 0.1667 0.0962 0.0680 ( 1278 PWs) bands (ev): -49.1767 -49.1767 -23.3992 -23.3992 -15.6619 -15.6619 -15.5740 -15.5740 -6.2890 -6.2890 -4.0350 -4.0350 6.9892 6.9892 7.0103 7.0103 7.4097 7.4097 10.5236 10.5236 10.7958 10.7958 10.8963 10.8963 16.1889 16.1889 16.2571 16.2571 18.5127 18.5127 21.0556 21.0556 k = 0.1759 0.1016 0.0718 ( 1278 PWs) bands (ev): -49.1764 -49.1764 -23.4012 -23.4012 -15.6721 -15.6721 -15.5755 -15.5755 -6.2546 -6.2546 -4.0588 -4.0588 7.0150 7.0150 7.0360 7.0360 7.4754 7.4754 10.4602 10.4602 10.7555 10.7555 10.8597 10.8597 16.2180 16.2180 16.2934 16.2934 18.5803 18.5803 20.9990 20.9990 k = 0.1852 0.1069 0.0756 ( 1278 PWs) bands (ev): -49.1761 -49.1761 -23.4032 -23.4032 -15.6826 -15.6826 -15.5770 -15.5770 -6.2194 -6.2194 -4.0828 -4.0828 7.0416 7.0416 7.0627 7.0627 7.5428 7.5428 10.3958 10.3958 10.7154 10.7154 10.8231 10.8231 16.2462 16.2462 16.3291 16.3291 18.6423 18.6423 20.9501 20.9501 k = 0.1944 0.1123 0.0794 ( 1275 PWs) bands (ev): -49.1757 -49.1757 -23.4052 -23.4052 -15.6931 -15.6931 -15.5786 -15.5786 -6.1833 -6.1833 -4.1069 -4.1069 7.0690 7.0690 7.0901 7.0901 7.6116 7.6116 10.3307 10.3307 10.6753 10.6753 10.7866 10.7866 16.2733 16.2733 16.3639 16.3639 18.6974 18.6974 20.9106 20.9106 k = 0.2037 0.1176 0.0832 ( 1272 PWs) bands (ev): -49.1754 -49.1754 -23.4072 -23.4072 -15.7039 -15.7039 -15.5802 -15.5802 -6.1466 -6.1466 -4.1310 -4.1310 7.0969 7.0969 7.1182 7.1182 7.6817 7.6817 10.2652 10.2652 10.6356 10.6356 10.7504 10.7504 16.2990 16.2990 16.3975 16.3975 18.7443 18.7443 20.8817 20.8817 k = 0.2130 0.1230 0.0869 ( 1290 PWs) bands (ev): -49.1751 -49.1751 -23.4097 -23.4097 -15.7151 -15.7151 -15.5821 -15.5821 -6.1095 -6.1095 -4.1550 -4.1550 7.1254 7.1254 7.1470 7.1470 7.7527 7.7527 10.1995 10.1995 10.5963 10.5963 10.7146 10.7146 16.3231 16.3231 16.4297 16.4297 18.7820 18.7820 20.8644 20.8644 k = 0.2222 0.1283 0.0907 ( 1284 PWs) bands (ev): -49.1748 -49.1748 -23.4118 -23.4118 -15.7260 -15.7260 -15.5837 -15.5837 -6.0720 -6.0720 -4.1787 -4.1787 7.1543 7.1543 7.1762 7.1762 7.8244 7.8244 10.1339 10.1339 10.5575 10.5575 10.6795 10.6795 16.3456 16.3456 16.4603 16.4603 18.8098 18.8098 20.8591 20.8591 k = 0.2315 0.1336 0.0945 ( 1284 PWs) bands (ev): -49.1744 -49.1744 -23.4140 -23.4140 -15.7371 -15.7371 -15.5854 -15.5854 -6.0344 -6.0344 -4.2020 -4.2020 7.1835 7.1835 7.2059 7.2059 7.8965 7.8965 10.0685 10.0685 10.5193 10.5193 10.6451 10.6451 16.3662 16.3662 16.4892 16.4892 18.8277 18.8277 20.8659 20.8659 k = 0.2407 0.1390 0.0983 ( 1284 PWs) bands (ev): -49.1741 -49.1741 -23.4162 -23.4162 -15.7482 -15.7482 -15.5871 -15.5871 -5.9968 -5.9968 -4.2248 -4.2248 7.2129 7.2129 7.2360 7.2360 7.9687 7.9687 10.0035 10.0035 10.4819 10.4819 10.6116 10.6116 16.3849 16.3849 16.5161 16.5161 18.8362 18.8362 20.8839 20.8839 k = 0.2500 0.1443 0.1021 ( 1278 PWs) bands (ev): -49.1737 -49.1737 -23.4183 -23.4183 -15.7592 -15.7592 -15.5888 -15.5888 -5.9594 -5.9594 -4.2469 -4.2469 7.2424 7.2424 7.2663 7.2663 8.0407 8.0407 9.9392 9.9392 10.4454 10.4454 10.5790 10.5790 16.4015 16.4015 16.5409 16.5409 18.8360 18.8360 20.9117 20.9117 k = 0.2593 0.1497 0.1058 ( 1281 PWs) bands (ev): -49.1733 -49.1733 -23.4205 -23.4205 -15.7703 -15.7703 -15.5905 -15.5905 -5.9223 -5.9223 -4.2683 -4.2683 7.2719 7.2719 7.2967 7.2967 8.1123 8.1123 9.8757 9.8757 10.4098 10.4098 10.5476 10.5476 16.4160 16.4160 16.5636 16.5636 18.8286 18.8286 20.9476 20.9476 k = 0.2685 0.1550 0.1096 ( 1281 PWs) bands (ev): -49.1730 -49.1730 -23.4228 -23.4228 -15.7812 -15.7812 -15.5922 -15.5922 -5.8858 -5.8858 -4.2887 -4.2887 7.3013 7.3013 7.3271 7.3271 8.1832 8.1832 9.8132 9.8132 10.3754 10.3754 10.5174 10.5174 16.4283 16.4283 16.5840 16.5840 18.8154 18.8154 20.9893 20.9893 k = 0.2778 0.1604 0.1134 ( 1281 PWs) bands (ev): -49.1726 -49.1726 -23.4250 -23.4250 -15.7920 -15.7920 -15.5939 -15.5939 -5.8500 -5.8500 -4.3081 -4.3081 7.3304 7.3304 7.3574 7.3574 8.2532 8.2532 9.7518 9.7518 10.3420 10.3420 10.4884 10.4884 16.4385 16.4385 16.6020 16.6020 18.7980 18.7980 21.0346 21.0346 k = 0.2870 0.1657 0.1172 ( 1281 PWs) bands (ev): -49.1723 -49.1723 -23.4272 -23.4272 -15.8026 -15.8026 -15.5955 -15.5955 -5.8151 -5.8151 -4.3264 -4.3264 7.3592 7.3592 7.3875 7.3875 8.3219 8.3219 9.6916 9.6916 10.3100 10.3100 10.4608 10.4608 16.4466 16.4466 16.6177 16.6177 18.7779 18.7779 21.0808 21.0808 k = 0.2963 0.1711 0.1210 ( 1272 PWs) bands (ev): -49.1719 -49.1719 -23.4291 -23.4291 -15.8128 -15.8128 -15.5971 -15.5971 -5.7812 -5.7812 -4.3435 -4.3435 7.3875 7.3875 7.4173 7.4173 8.3892 8.3892 9.6329 9.6329 10.2792 10.2792 10.4346 10.4346 16.4526 16.4526 16.6310 16.6310 18.7566 18.7566 21.0868 21.0868 k = 0.3056 0.1764 0.1247 ( 1272 PWs) bands (ev): -49.1716 -49.1716 -23.4312 -23.4312 -15.8230 -15.8230 -15.5987 -15.5987 -5.7486 -5.7486 -4.3592 -4.3592 7.4152 7.4152 7.4467 7.4467 8.4547 8.4547 9.5758 9.5758 10.2499 10.2499 10.4098 10.4098 16.4566 16.4566 16.6421 16.6421 18.7351 18.7351 21.0633 21.0633 k = 0.3148 0.1818 0.1285 ( 1272 PWs) bands (ev): -49.1713 -49.1713 -23.4333 -23.4333 -15.8329 -15.8329 -15.6003 -15.6003 -5.7174 -5.7174 -4.3736 -4.3736 7.4422 7.4422 7.4755 7.4755 8.5183 8.5183 9.5203 9.5203 10.2220 10.2220 10.3866 10.3866 16.4588 16.4588 16.6508 16.6508 18.7145 18.7145 21.0415 21.0415 k = 0.3241 0.1871 0.1323 ( 1272 PWs) bands (ev): -49.1710 -49.1710 -23.4353 -23.4353 -15.8426 -15.8426 -15.6019 -15.6019 -5.6877 -5.6877 -4.3865 -4.3865 7.4684 7.4684 7.5037 7.5037 8.5797 8.5797 9.4667 9.4667 10.1956 10.1956 10.3649 10.3649 16.4592 16.4592 16.6574 16.6574 18.6957 18.6957 21.0215 21.0215 k = 0.3333 0.1925 0.1361 ( 1272 PWs) bands (ev): -49.1707 -49.1707 -23.4373 -23.4373 -15.8519 -15.8519 -15.6034 -15.6034 -5.6596 -5.6596 -4.3979 -4.3979 7.4938 7.4938 7.5311 7.5311 8.6387 8.6387 9.4150 9.4150 10.1707 10.1707 10.3447 10.3447 16.4580 16.4580 16.6619 16.6619 18.6793 18.6793 21.0033 21.0033 k = 0.3426 0.1978 0.1399 ( 1272 PWs) bands (ev): -49.1704 -49.1704 -23.4392 -23.4392 -15.8608 -15.8608 -15.6048 -15.6048 -5.6333 -5.6333 -4.4078 -4.4078 7.5182 7.5182 7.5576 7.5576 8.6952 8.6952 9.3654 9.3654 10.1474 10.1474 10.3260 10.3260 16.4554 16.4554 16.6645 16.6645 18.6658 18.6658 20.9867 20.9867 k = 0.3519 0.2031 0.1436 ( 1272 PWs) bands (ev): -49.1701 -49.1701 -23.4410 -23.4410 -15.8694 -15.8694 -15.6062 -15.6062 -5.6088 -5.6088 -4.4162 -4.4162 7.5415 7.5415 7.5831 7.5831 8.7488 8.7488 9.3179 9.3179 10.1257 10.1257 10.3089 10.3089 16.4515 16.4515 16.6654 16.6654 18.6556 18.6556 20.9719 20.9719 k = 0.3611 0.2085 0.1474 ( 1272 PWs) bands (ev): -49.1698 -49.1698 -23.4427 -23.4427 -15.8776 -15.8776 -15.6075 -15.6075 -5.5862 -5.5862 -4.4231 -4.4231 7.5637 7.5637 7.6076 7.6076 8.7996 8.7996 9.2728 9.2728 10.1056 10.1056 10.2933 10.2933 16.4465 16.4465 16.6647 16.6647 18.6490 18.6490 20.9586 20.9586 k = 0.3704 0.2138 0.1512 ( 1272 PWs) bands (ev): -49.1695 -49.1695 -23.4444 -23.4444 -15.8854 -15.8854 -15.6088 -15.6088 -5.5655 -5.5655 -4.4286 -4.4286 7.5846 7.5846 7.6309 7.6309 8.8473 8.8473 9.2301 9.2301 10.0871 10.0871 10.2791 10.2791 16.4406 16.4406 16.6626 16.6626 18.6459 18.6459 20.9469 20.9469 k = 0.3796 0.2192 0.1550 ( 1275 PWs) bands (ev): -49.1693 -49.1693 -23.4460 -23.4460 -15.8928 -15.8928 -15.6100 -15.6100 -5.5468 -5.5468 -4.4328 -4.4328 7.6043 7.6043 7.6530 7.6530 8.8917 8.8917 9.1900 9.1900 10.0702 10.0702 10.2664 10.2664 16.4341 16.4341 16.6594 16.6594 18.6465 18.6465 20.9365 20.9365 k = 0.3889 0.2245 0.1588 ( 1263 PWs) bands (ev): -49.1690 -49.1690 -23.4472 -23.4472 -15.8994 -15.8994 -15.6110 -15.6110 -5.5299 -5.5299 -4.4356 -4.4356 7.6227 7.6227 7.6737 7.6737 8.9328 8.9328 9.1527 9.1527 10.0549 10.0549 10.2550 10.2550 16.4270 16.4270 16.6553 16.6553 18.6505 18.6505 20.9276 20.9276 k = 0.3981 0.2299 0.1625 ( 1263 PWs) bands (ev): -49.1688 -49.1688 -23.4486 -23.4486 -15.9058 -15.9058 -15.6120 -15.6120 -5.5149 -5.5149 -4.4375 -4.4375 7.6398 7.6398 7.6930 7.6930 8.9700 8.9700 9.1185 9.1185 10.0411 10.0411 10.2449 10.2449 16.4197 16.4197 16.6505 16.6505 18.6578 18.6578 20.9198 20.9198 k = 0.4074 0.2352 0.1663 ( 1263 PWs) bands (ev): -49.1686 -49.1686 -23.4499 -23.4499 -15.9117 -15.9117 -15.6130 -15.6130 -5.5017 -5.5017 -4.4384 -4.4384 7.6554 7.6554 7.7109 7.7109 9.0024 9.0024 9.0886 9.0886 10.0288 10.0288 10.2360 10.2360 16.4123 16.4123 16.6451 16.6451 18.6679 18.6679 20.9131 20.9131 k = 0.4167 0.2406 0.1701 ( 1260 PWs) bands (ev): -49.1684 -49.1684 -23.4510 -23.4510 -15.9170 -15.9170 -15.6139 -15.6139 -5.4902 -5.4902 -4.4385 -4.4385 7.6696 7.6696 7.7272 7.7272 9.0239 9.0239 9.0690 9.0690 10.0180 10.0180 10.2283 10.2283 16.4049 16.4049 16.6395 16.6395 18.6805 18.6805 20.9075 20.9075 k = 0.4259 0.2459 0.1739 ( 1254 PWs) bands (ev): -49.1682 -49.1682 -23.4519 -23.4519 -15.9218 -15.9218 -15.6146 -15.6146 -5.4803 -5.4803 -4.4380 -4.4380 7.6823 7.6823 7.7419 7.7419 9.0174 9.0174 9.0770 9.0770 10.0086 10.0086 10.2216 10.2216 16.3978 16.3978 16.6339 16.6339 18.6949 18.6949 20.9028 20.9028 k = 0.4352 0.2513 0.1777 ( 1254 PWs) bands (ev): -49.1681 -49.1681 -23.4528 -23.4528 -15.9261 -15.9261 -15.6153 -15.6153 -5.4719 -5.4719 -4.4370 -4.4370 7.6936 7.6936 7.7549 7.7549 8.9979 8.9979 9.0975 9.0975 10.0005 10.0005 10.2160 10.2160 16.3911 16.3911 16.6284 16.6284 18.7105 18.7105 20.8989 20.8989 k = 0.4444 0.2566 0.1814 ( 1260 PWs) bands (ev): -49.1680 -49.1680 -23.4538 -23.4538 -15.9299 -15.9299 -15.6160 -15.6160 -5.4649 -5.4649 -4.4358 -4.4358 7.7034 7.7034 7.7663 7.7663 8.9787 8.9787 9.1175 9.1175 9.9936 9.9936 10.2112 10.2112 16.3850 16.3850 16.6232 16.6232 18.7265 18.7265 20.8957 20.8957 k = 0.4537 0.2619 0.1852 ( 1260 PWs) bands (ev): -49.1679 -49.1679 -23.4545 -23.4545 -15.9331 -15.9331 -15.6166 -15.6166 -5.4591 -5.4591 -4.4345 -4.4345 7.7116 7.7116 7.7760 7.7760 8.9617 8.9617 9.1348 9.1348 9.9880 9.9880 10.2074 10.2074 16.3796 16.3796 16.6186 16.6186 18.7421 18.7421 20.8762 20.8762 k = 0.4630 0.2673 0.1890 ( 1260 PWs) bands (ev): -49.1678 -49.1678 -23.4551 -23.4551 -15.9356 -15.9356 -15.6171 -15.6171 -5.4546 -5.4546 -4.4333 -4.4333 7.7184 7.7184 7.7840 7.7840 8.9477 8.9477 9.1492 9.1492 9.9835 9.9835 10.2043 10.2043 16.3750 16.3750 16.6145 16.6145 18.7564 18.7564 20.8397 20.8397 k = 0.4722 0.2726 0.1928 ( 1257 PWs) bands (ev): -49.1677 -49.1677 -23.4554 -23.4554 -15.9375 -15.9375 -15.6174 -15.6174 -5.4511 -5.4511 -4.4321 -4.4321 7.7237 7.7237 7.7902 7.7902 8.9366 8.9366 9.1604 9.1604 9.9801 9.9801 10.2020 10.2020 16.3713 16.3713 16.6113 16.6113 18.7686 18.7686 20.8097 20.8097 k = 0.4815 0.2780 0.1966 ( 1260 PWs) bands (ev): -49.1677 -49.1677 -23.4558 -23.4558 -15.9391 -15.9391 -15.6177 -15.6177 -5.4487 -5.4487 -4.4312 -4.4312 7.7274 7.7274 7.7947 7.7947 8.9286 8.9286 9.1684 9.1684 9.9776 9.9776 10.2004 10.2004 16.3687 16.3687 16.6089 16.6089 18.7779 18.7779 20.7874 20.7874 k = 0.4907 0.2833 0.2003 ( 1260 PWs) bands (ev): -49.1676 -49.1676 -23.4560 -23.4560 -15.9400 -15.9400 -15.6178 -15.6178 -5.4473 -5.4473 -4.4307 -4.4307 7.7297 7.7297 7.7973 7.7973 8.9238 8.9238 9.1731 9.1731 9.9762 9.9762 10.1994 10.1994 16.3670 16.3670 16.6074 16.6074 18.7837 18.7837 20.7737 20.7737 k = 0.5000 0.2887 0.2041 ( 1260 PWs) bands (ev): -49.1676 -49.1676 -23.4561 -23.4561 -15.9402 -15.9402 -15.6179 -15.6179 -5.4468 -5.4468 -4.4305 -4.4305 7.7305 7.7305 7.7982 7.7982 8.9222 8.9222 9.1747 9.1747 9.9757 9.9757 10.1991 10.1991 16.3665 16.3665 16.6069 16.6069 18.7857 18.7857 20.7691 20.7691 k = 0.5000 0.2887 0.2041 ( 1260 PWs) bands (ev): -49.1676 -49.1676 -23.4561 -23.4561 -15.9402 -15.9402 -15.6179 -15.6179 -5.4468 -5.4468 -4.4305 -4.4305 7.7305 7.7305 7.7982 7.7982 8.9222 8.9222 9.1747 9.1747 9.9757 9.9757 10.1991 10.1991 16.3665 16.3665 16.6069 16.6069 18.7857 18.7857 20.7691 20.7691 k = 0.5033 0.2792 0.2095 ( 1260 PWs) bands (ev): -49.1676 -49.1676 -23.4561 -23.4561 -15.9402 -15.9402 -15.6181 -15.6181 -5.4460 -5.4460 -4.4309 -4.4309 7.7296 7.7296 7.7976 7.7976 8.9169 8.9169 9.1794 9.1794 9.9775 9.9775 10.2004 10.2004 16.3670 16.3670 16.6073 16.6073 18.7856 18.7856 20.7577 20.7577 k = 0.5066 0.2697 0.2149 ( 1260 PWs) bands (ev): -49.1676 -49.1676 -23.4562 -23.4562 -15.9401 -15.9401 -15.6189 -15.6189 -5.4435 -5.4435 -4.4322 -4.4322 7.7264 7.7264 7.7963 7.7963 8.9012 8.9012 9.1932 9.1932 9.9824 9.9824 10.2045 10.2045 16.3687 16.3687 16.6084 16.6084 18.7853 18.7853 20.7312 20.7312 k = 0.5099 0.2602 0.2202 ( 1256 PWs) bands (ev): -49.1676 -49.1676 -23.4562 -23.4562 -15.9399 -15.9399 -15.6200 -15.6200 -5.4394 -5.4394 -4.4343 -4.4343 7.7195 7.7195 7.7960 7.7960 8.8761 8.8761 9.2156 9.2156 9.9892 9.9892 10.2118 10.2118 16.3713 16.3713 16.6103 16.6103 18.7847 18.7847 20.6983 20.6983 k = 0.5132 0.2507 0.2256 ( 1258 PWs) bands (ev): -49.1675 -49.1675 -23.4565 -23.4565 -15.9396 -15.9396 -15.6217 -15.6217 -5.4337 -5.4337 -4.4372 -4.4372 7.7075 7.7075 7.7986 7.7986 8.8427 8.8427 9.2459 9.2459 9.9964 9.9964 10.2232 10.2232 16.3747 16.3747 16.6133 16.6133 18.7839 18.7839 20.6625 20.6625 k = 0.5164 0.2412 0.2310 ( 1255 PWs) bands (ev): -49.1675 -49.1675 -23.4567 -23.4567 -15.9392 -15.9392 -15.6238 -15.6238 -5.4264 -5.4264 -4.4409 -4.4409 7.6901 7.6901 7.8048 7.8048 8.8023 8.8023 9.2834 9.2834 10.0023 10.0023 10.2391 10.2391 16.3788 16.3788 16.6173 16.6173 18.7830 18.7830 20.6250 20.6250 k = 0.5197 0.2317 0.2364 ( 1257 PWs) bands (ev): -49.1674 -49.1674 -23.4571 -23.4571 -15.9389 -15.9389 -15.6264 -15.6264 -5.4176 -5.4176 -4.4454 -4.4454 7.6680 7.6680 7.8145 7.8145 8.7562 8.7562 9.3273 9.3273 10.0057 10.0057 10.2597 10.2597 16.3832 16.3832 16.6227 16.6227 18.7819 18.7819 20.5862 20.5862 k = 0.5230 0.2222 0.2417 ( 1259 PWs) bands (ev): -49.1674 -49.1674 -23.4575 -23.4575 -15.9384 -15.9384 -15.6294 -15.6294 -5.4072 -5.4072 -4.4507 -4.4507 7.6421 7.6421 7.8272 7.8272 8.7055 8.7055 9.3770 9.3770 10.0061 10.0061 10.2847 10.2847 16.3877 16.3877 16.6296 16.6296 18.7808 18.7808 20.5460 20.5460 k = 0.5263 0.2127 0.2471 ( 1260 PWs) bands (ev): -49.1673 -49.1673 -23.4579 -23.4579 -15.9379 -15.9379 -15.6329 -15.6329 -5.3955 -5.3955 -4.4566 -4.4566 7.6132 7.6132 7.8426 7.8426 8.6514 8.6514 9.4315 9.4315 10.0034 10.0034 10.3133 10.3133 16.3920 16.3920 16.6383 16.6383 18.7796 18.7796 20.5045 20.5045 k = 0.5296 0.2032 0.2525 ( 1260 PWs) bands (ev): -49.1672 -49.1672 -23.4584 -23.4584 -15.9374 -15.9374 -15.6367 -15.6367 -5.3823 -5.3823 -4.4633 -4.4633 7.5818 7.5818 7.8606 7.8606 8.5948 8.5948 9.4903 9.4903 9.9981 9.9981 10.3446 10.3446 16.3958 16.3958 16.6491 16.6491 18.7785 18.7785 20.4616 20.4616 k = 0.5329 0.1937 0.2578 ( 1262 PWs) bands (ev): -49.1671 -49.1671 -23.4590 -23.4590 -15.9368 -15.9368 -15.6409 -15.6409 -5.3679 -5.3679 -4.4706 -4.4706 7.5485 7.5485 7.8808 7.8808 8.5366 8.5366 9.5523 9.5523 9.9907 9.9907 10.3777 10.3777 16.3988 16.3988 16.6620 16.6620 18.7775 18.7775 20.4171 20.4171 k = 0.5362 0.1842 0.2632 ( 1261 PWs) bands (ev): -49.1670 -49.1670 -23.4595 -23.4595 -15.9361 -15.9361 -15.6454 -15.6454 -5.3522 -5.3522 -4.4785 -4.4785 7.5134 7.5134 7.9031 7.9031 8.4777 8.4777 9.6167 9.6167 9.9821 9.9821 10.4118 10.4118 16.4009 16.4009 16.6771 16.6771 18.7767 18.7767 20.3711 20.3711 k = 0.5395 0.1747 0.2686 ( 1257 PWs) bands (ev): -49.1669 -49.1669 -23.4601 -23.4601 -15.9354 -15.9354 -15.6501 -15.6501 -5.3354 -5.3354 -4.4869 -4.4869 7.4768 7.4768 7.9275 7.9275 8.4188 8.4188 9.6821 9.6821 9.9733 9.9733 10.4463 10.4463 16.4019 16.4019 16.6944 16.6944 18.7762 18.7762 20.3235 20.3235 k = 0.5428 0.1652 0.2740 ( 1257 PWs) bands (ev): -49.1668 -49.1668 -23.4607 -23.4607 -15.9346 -15.9346 -15.6552 -15.6552 -5.3175 -5.3175 -4.4958 -4.4958 7.4388 7.4388 7.9538 7.9538 8.3606 8.3606 9.7459 9.7459 9.9667 9.9667 10.4806 10.4806 16.4017 16.4017 16.7139 16.7139 18.7760 18.7760 20.2743 20.2743 k = 0.5461 0.1557 0.2793 ( 1261 PWs) bands (ev): -49.1667 -49.1667 -23.4615 -23.4615 -15.9340 -15.9340 -15.6605 -15.6605 -5.2987 -5.2987 -4.5051 -4.5051 7.3993 7.3993 7.9819 7.9819 8.3040 8.3040 9.8021 9.8021 9.9680 9.9680 10.5146 10.5146 16.4004 16.4004 16.7353 16.7353 18.7762 18.7762 20.2235 20.2235 k = 0.5493 0.1462 0.2847 ( 1261 PWs) bands (ev): -49.1666 -49.1666 -23.4622 -23.4622 -15.9332 -15.9332 -15.6660 -15.6660 -5.2790 -5.2790 -4.5148 -4.5148 7.3583 7.3583 8.0116 8.0116 8.2495 8.2495 9.8383 9.8383 9.9894 9.9894 10.5479 10.5479 16.3980 16.3980 16.7585 16.7585 18.7769 18.7769 20.1711 20.1711 k = 0.5526 0.1367 0.2901 ( 1267 PWs) bands (ev): -49.1665 -49.1665 -23.4631 -23.4631 -15.9326 -15.9326 -15.6718 -15.6718 -5.2587 -5.2587 -4.5247 -4.5247 7.3157 7.3157 8.0426 8.0426 8.1979 8.1979 9.8479 9.8479 10.0372 10.0372 10.5806 10.5806 16.3945 16.3945 16.7833 16.7833 18.7781 18.7781 20.1173 20.1173 k = 0.5559 0.1272 0.2954 ( 1265 PWs) bands (ev): -49.1663 -49.1663 -23.4639 -23.4639 -15.9319 -15.9319 -15.6775 -15.6775 -5.2377 -5.2377 -4.5349 -4.5349 7.2714 7.2714 8.0737 8.0737 8.1509 8.1509 9.8413 9.8413 10.1003 10.1003 10.6125 10.6125 16.3901 16.3901 16.8093 16.8093 18.7799 18.7799 20.0621 20.0621 k = 0.5592 0.1177 0.3008 ( 1265 PWs) bands (ev): -49.1662 -49.1662 -23.4647 -23.4647 -15.9312 -15.9312 -15.6833 -15.6833 -5.2163 -5.2163 -4.5451 -4.5451 7.2255 7.2255 8.0893 8.0893 8.1243 8.1243 9.8278 9.8278 10.1691 10.1691 10.6441 10.6441 16.3848 16.3848 16.8364 16.8364 18.7824 18.7824 20.0058 20.0058 k = 0.5625 0.1083 0.3062 ( 1263 PWs) bands (ev): -49.1661 -49.1661 -23.4654 -23.4654 -15.9306 -15.9306 -15.6891 -15.6891 -5.1947 -5.1947 -4.5554 -4.5554 7.1778 7.1778 8.0572 8.0572 8.1507 8.1507 9.8111 9.8111 10.2392 10.2392 10.6755 10.6755 16.3786 16.3786 16.8643 16.8643 18.7855 18.7855 19.9486 19.9486 k = 0.5658 0.0988 0.3116 ( 1266 PWs) bands (ev): -49.1659 -49.1659 -23.4663 -23.4663 -15.9301 -15.9301 -15.6949 -15.6949 -5.1729 -5.1729 -4.5656 -4.5656 7.1284 7.1284 8.0214 8.0214 8.1860 8.1860 9.7929 9.7929 10.3081 10.3081 10.7074 10.7074 16.3716 16.3716 16.8927 16.8927 18.7892 18.7892 19.8906 19.8906 k = 0.5691 0.0893 0.3169 ( 1264 PWs) bands (ev): -49.1658 -49.1658 -23.4671 -23.4671 -15.9297 -15.9297 -15.7006 -15.7006 -5.1511 -5.1511 -4.5756 -4.5756 7.0774 7.0774 7.9892 7.9892 8.2229 8.2229 9.7739 9.7739 10.3740 10.3740 10.7408 10.7408 16.3640 16.3640 16.9213 16.9213 18.7936 18.7936 19.8322 19.8322 k = 0.5724 0.0798 0.3223 ( 1264 PWs) bands (ev): -49.1656 -49.1656 -23.4680 -23.4680 -15.9294 -15.9294 -15.7062 -15.7062 -5.1295 -5.1295 -4.5853 -4.5853 7.0252 7.0252 7.9611 7.9611 8.2607 8.2607 9.7547 9.7547 10.4349 10.4349 10.7768 10.7768 16.3556 16.3556 16.9499 16.9499 18.7984 18.7984 19.7737 19.7737 k = 0.5757 0.0703 0.3277 ( 1264 PWs) bands (ev): -49.1655 -49.1655 -23.4688 -23.4688 -15.9292 -15.9292 -15.7116 -15.7116 -5.1083 -5.1083 -4.5946 -4.5946 6.9718 6.9718 7.9373 7.9373 8.2990 8.2990 9.7357 9.7357 10.4892 10.4892 10.8166 10.8166 16.3467 16.3467 16.9783 16.9783 18.8037 18.8037 19.7156 19.7156 k = 0.5789 0.0608 0.3330 ( 1262 PWs) bands (ev): -49.1653 -49.1653 -23.4696 -23.4696 -15.9291 -15.9291 -15.7167 -15.7167 -5.0877 -5.0877 -4.6034 -4.6034 6.9176 6.9176 7.9178 7.9178 8.3374 8.3374 9.7173 9.7173 10.5354 10.5354 10.8612 10.8612 16.3373 16.3373 17.0062 17.0062 18.8092 18.8092 19.6582 19.6582 k = 0.5822 0.0513 0.3384 ( 1264 PWs) bands (ev): -49.1652 -49.1652 -23.4705 -23.4705 -15.9293 -15.9293 -15.7217 -15.7217 -5.0679 -5.0679 -4.6115 -4.6115 6.8630 6.8630 7.9022 7.9022 8.3755 8.3755 9.6998 9.6998 10.5729 10.5729 10.9108 10.9108 16.3274 16.3274 17.0333 17.0333 18.8147 18.8147 19.6022 19.6022 k = 0.5855 0.0418 0.3438 ( 1268 PWs) bands (ev): -49.1651 -49.1651 -23.4713 -23.4713 -15.9297 -15.9297 -15.7263 -15.7263 -5.0491 -5.0491 -4.6188 -4.6188 6.8083 6.8083 7.8906 7.8906 8.4130 8.4130 9.6836 9.6836 10.6023 10.6023 10.9646 10.9646 16.3171 16.3171 17.0595 17.0595 18.8198 18.8198 19.5481 19.5481 k = 0.5888 0.0323 0.3492 ( 1268 PWs) bands (ev): -49.1650 -49.1650 -23.4721 -23.4721 -15.9302 -15.9302 -15.7305 -15.7305 -5.0315 -5.0315 -4.6252 -4.6252 6.7539 6.7539 7.8825 7.8825 8.4495 8.4495 9.6691 9.6691 10.6245 10.6245 11.0212 11.0212 16.3065 16.3065 17.0845 17.0845 18.8240 18.8240 19.4967 19.4967 k = 0.5921 0.0228 0.3545 ( 1264 PWs) bands (ev): -49.1648 -49.1648 -23.4728 -23.4728 -15.9308 -15.9308 -15.7343 -15.7343 -5.0152 -5.0152 -4.6306 -4.6306 6.7002 6.7002 7.8778 7.8778 8.4844 8.4844 9.6568 9.6568 10.6407 10.6407 11.0792 11.0792 16.2957 16.2957 17.1080 17.1080 18.8269 18.8269 19.4489 19.4489 k = 0.5954 0.0133 0.3599 ( 1264 PWs) bands (ev): -49.1647 -49.1647 -23.4735 -23.4735 -15.9317 -15.9317 -15.7376 -15.7376 -5.0005 -5.0005 -4.6349 -4.6349 6.6475 6.6475 7.8762 7.8762 8.5173 8.5173 9.6473 9.6473 10.6521 10.6521 11.1371 11.1371 16.2848 16.2848 17.1300 17.1300 18.8278 18.8278 19.4055 19.4055 k = 0.5987 0.0038 0.3653 ( 1268 PWs) bands (ev): -49.1646 -49.1646 -23.4743 -23.4743 -15.9329 -15.9329 -15.7406 -15.7406 -4.9875 -4.9875 -4.6380 -4.6380 6.5962 6.5962 7.8774 7.8774 8.5476 8.5476 9.6408 9.6408 10.6594 10.6594 11.1937 11.1937 16.2738 16.2738 17.1503 17.1503 18.8261 18.8261 19.3677 19.3677 k = 0.6020-0.0057 0.3706 ( 1268 PWs) bands (ev): -49.1645 -49.1645 -23.4749 -23.4749 -15.9342 -15.9342 -15.7430 -15.7430 -4.9762 -4.9762 -4.6399 -4.6399 6.5465 6.5465 7.8812 7.8812 8.5748 8.5748 9.6381 9.6381 10.6636 10.6636 11.2481 11.2481 16.2629 16.2629 17.1686 17.1686 18.8210 18.8210 19.3362 19.3362 k = 0.6053-0.0152 0.3760 ( 1268 PWs) bands (ev): -49.1644 -49.1644 -23.4755 -23.4755 -15.9357 -15.9357 -15.7450 -15.7450 -4.9667 -4.9667 -4.6406 -4.6406 6.4987 6.4987 7.8872 7.8872 8.5983 8.5983 9.6396 9.6396 10.6650 10.6650 11.2996 11.2996 16.2520 16.2520 17.1848 17.1848 18.8122 18.8122 19.3118 19.3118 k = 0.6086-0.0247 0.3814 ( 1264 PWs) bands (ev): -49.1643 -49.1643 -23.4760 -23.4760 -15.9374 -15.9374 -15.7464 -15.7464 -4.9590 -4.9590 -4.6404 -4.6404 6.4532 6.4532 7.8953 7.8953 8.6176 8.6176 9.6456 9.6456 10.6640 10.6640 11.3475 11.3475 16.2413 16.2413 17.1989 17.1989 18.7998 18.7998 19.2946 19.2946 k = 0.6118-0.0342 0.3868 ( 1264 PWs) bands (ev): -49.1642 -49.1642 -23.4765 -23.4765 -15.9391 -15.9391 -15.7475 -15.7475 -4.9528 -4.9528 -4.6394 -4.6394 6.4101 6.4101 7.9051 7.9051 8.6324 8.6324 9.6565 9.6565 10.6612 10.6612 11.3912 11.3912 16.2309 16.2309 17.2108 17.2108 18.7843 18.7843 19.2846 19.2846 k = 0.6151-0.0437 0.3921 ( 1264 PWs) bands (ev): -49.1641 -49.1641 -23.4770 -23.4770 -15.9410 -15.9410 -15.7481 -15.7481 -4.9481 -4.9481 -4.6378 -4.6378 6.3697 6.3697 7.9163 7.9163 8.6425 8.6425 9.6724 9.6724 10.6568 10.6568 11.4303 11.4303 16.2207 16.2207 17.2204 17.2204 18.7666 18.7666 19.2811 19.2811 k = 0.6184-0.0532 0.3975 ( 1260 PWs) bands (ev): -49.1641 -49.1641 -23.4773 -23.4773 -15.9428 -15.9428 -15.7481 -15.7481 -4.9446 -4.9446 -4.6358 -4.6358 6.3322 6.3322 7.9286 7.9286 8.6478 8.6478 9.6934 9.6934 10.6511 10.6511 11.4643 11.4643 16.2108 16.2108 17.2278 17.2278 18.7478 18.7478 19.2830 19.2830 k = 0.6217-0.0627 0.4029 ( 1260 PWs) bands (ev): -49.1640 -49.1640 -23.4776 -23.4776 -15.9448 -15.9448 -15.7479 -15.7479 -4.9421 -4.9421 -4.6339 -4.6339 6.2977 6.2977 7.9418 7.9418 8.6484 8.6484 9.7192 9.7192 10.6445 10.6445 11.4930 11.4930 16.2013 16.2013 17.2329 17.2329 18.7293 18.7293 19.2896 19.2896 k = 0.6250-0.0722 0.4082 ( 1260 PWs) bands (ev): -49.1640 -49.1640 -23.4778 -23.4778 -15.9466 -15.9466 -15.7473 -15.7473 -4.9403 -4.9403 -4.6323 -4.6323 6.2666 6.2666 7.9556 7.9556 8.6445 8.6445 9.7496 9.7496 10.6372 10.6372 11.5159 11.5159 16.1921 16.1921 17.2359 17.2359 18.7121 18.7121 19.2997 19.2997 k = 0.6250-0.0722 0.4082 ( 1260 PWs) bands (ev): -49.1640 -49.1640 -23.4778 -23.4778 -15.9466 -15.9466 -15.7473 -15.7473 -4.9403 -4.9403 -4.6323 -4.6323 6.2666 6.2666 7.9556 7.9556 8.6445 8.6445 9.7496 9.7496 10.6372 10.6372 11.5159 11.5159 16.1921 16.1921 17.2359 17.2359 18.7121 18.7121 19.2997 19.2997 k = 0.6193-0.0689 0.4175 ( 1260 PWs) bands (ev): -49.1640 -49.1640 -23.4779 -23.4779 -15.9465 -15.9465 -15.7474 -15.7474 -4.9400 -4.9400 -4.6325 -4.6325 6.2679 6.2679 7.9495 7.9495 8.6496 8.6496 9.7489 9.7489 10.6371 10.6371 11.5163 11.5163 16.1940 16.1940 17.2350 17.2350 18.7121 18.7121 19.2986 19.2986 k = 0.6136-0.0656 0.4268 ( 1264 PWs) bands (ev): -49.1640 -49.1640 -23.4780 -23.4780 -15.9463 -15.9463 -15.7479 -15.7479 -4.9391 -4.9391 -4.6329 -4.6329 6.2719 6.2719 7.9317 7.9317 8.6642 8.6642 9.7471 9.7471 10.6367 10.6367 11.5175 11.5175 16.1995 16.1995 17.2322 17.2322 18.7123 18.7123 19.2951 19.2951 k = 0.6080-0.0623 0.4361 ( 1268 PWs) bands (ev): -49.1640 -49.1640 -23.4781 -23.4781 -15.9459 -15.9459 -15.7488 -15.7488 -4.9376 -4.9376 -4.6337 -4.6337 6.2784 6.2784 7.9038 7.9038 8.6870 8.6870 9.7441 9.7441 10.6361 10.6361 11.5195 11.5195 16.2088 16.2088 17.2277 17.2277 18.7126 18.7126 19.2894 19.2894 k = 0.6023-0.0590 0.4454 ( 1270 PWs) bands (ev): -49.1640 -49.1640 -23.4782 -23.4782 -15.9454 -15.9454 -15.7498 -15.7498 -4.9355 -4.9355 -4.6348 -4.6348 6.2876 6.2876 7.8675 7.8675 8.7162 8.7162 9.7399 9.7399 10.6352 10.6352 11.5223 11.5223 16.2216 16.2216 17.2214 17.2214 18.7130 18.7130 19.2814 19.2814 k = 0.5966-0.0558 0.4546 ( 1268 PWs) bands (ev): -49.1640 -49.1640 -23.4782 -23.4782 -15.9446 -15.9446 -15.7510 -15.7510 -4.9329 -4.9329 -4.6361 -4.6361 6.2994 6.2994 7.8246 7.8246 8.7501 8.7501 9.7345 9.7345 10.6339 10.6339 11.5259 11.5259 16.2377 16.2377 17.2134 17.2134 18.7136 18.7136 19.2711 19.2711 k = 0.5909-0.0525 0.4639 ( 1267 PWs) bands (ev): -49.1639 -49.1639 -23.4783 -23.4783 -15.9438 -15.9438 -15.7525 -15.7525 -4.9299 -4.9299 -4.6376 -4.6376 6.3138 6.3138 7.7768 7.7768 8.7871 8.7871 9.7279 9.7279 10.6322 10.6322 11.5303 11.5303 16.2571 16.2571 17.2038 17.2038 18.7144 18.7144 19.2585 19.2585 k = 0.5852-0.0492 0.4732 ( 1267 PWs) bands (ev): -49.1639 -49.1639 -23.4784 -23.4784 -15.9427 -15.9427 -15.7543 -15.7543 -4.9264 -4.9264 -4.6394 -4.6394 6.3306 6.3306 7.7252 7.7252 8.8262 8.8262 9.7201 9.7201 10.6301 10.6301 11.5355 11.5355 16.2795 16.2795 17.1926 17.1926 18.7155 18.7155 19.2438 19.2438 k = 0.5795-0.0459 0.4825 ( 1267 PWs) bands (ev): -49.1639 -49.1639 -23.4785 -23.4785 -15.9416 -15.9416 -15.7562 -15.7562 -4.9225 -4.9225 -4.6413 -4.6413 6.3499 6.3499 7.6709 7.6709 8.8665 8.8665 9.7111 9.7111 10.6275 10.6275 11.5416 11.5416 16.3045 16.3045 17.1800 17.1800 18.7169 18.7169 19.2270 19.2270 k = 0.5739-0.0426 0.4918 ( 1265 PWs) bands (ev): -49.1639 -49.1639 -23.4786 -23.4786 -15.9404 -15.9404 -15.7583 -15.7583 -4.9184 -4.9184 -4.6432 -4.6432 6.3716 6.3716 7.6147 7.6147 8.9073 8.9073 9.7009 9.7009 10.6244 10.6244 11.5484 11.5484 16.3319 16.3319 17.1660 17.1660 18.7187 18.7187 19.2082 19.2082 k = 0.5682-0.0394 0.5010 ( 1265 PWs) bands (ev): -49.1639 -49.1639 -23.4787 -23.4787 -15.9391 -15.9391 -15.7605 -15.7605 -4.9141 -4.9141 -4.6453 -4.6453 6.3956 6.3956 7.5572 7.5572 8.9481 8.9481 9.6894 9.6894 10.6209 10.6209 11.5558 11.5558 16.3613 16.3613 17.1509 17.1509 18.7209 18.7209 19.1875 19.1875 k = 0.5625-0.0361 0.5103 ( 1259 PWs) bands (ev): -49.1638 -49.1638 -23.4787 -23.4787 -15.9376 -15.9376 -15.7628 -15.7628 -4.9098 -4.9098 -4.6473 -4.6473 6.4218 6.4218 7.4991 7.4991 8.9886 8.9886 9.6768 9.6768 10.6169 10.6169 11.5638 11.5638 16.3923 16.3923 17.1347 17.1347 18.7238 18.7238 19.1652 19.1652 k = 0.5568-0.0328 0.5196 ( 1260 PWs) bands (ev): -49.1638 -49.1638 -23.4789 -23.4789 -15.9362 -15.9362 -15.7652 -15.7652 -4.9054 -4.9054 -4.6493 -4.6493 6.4502 6.4502 7.4406 7.4406 9.0286 9.0286 9.6628 9.6628 10.6125 10.6125 11.5723 11.5723 16.4244 16.4244 17.1177 17.1177 18.7273 18.7273 19.1415 19.1415 k = 0.5511-0.0295 0.5289 ( 1260 PWs) bands (ev): -49.1638 -49.1638 -23.4790 -23.4790 -15.9348 -15.9348 -15.7676 -15.7676 -4.9011 -4.9011 -4.6512 -4.6512 6.4805 6.4805 7.3824 7.3824 9.0677 9.0677 9.6476 9.6476 10.6078 10.6078 11.5811 11.5811 16.4570 16.4570 17.1001 17.1001 18.7316 18.7316 19.1167 19.1167 k = 0.5455-0.0262 0.5381 ( 1259 PWs) bands (ev): -49.1638 -49.1638 -23.4791 -23.4791 -15.9334 -15.9334 -15.7699 -15.7699 -4.8971 -4.8971 -4.6528 -4.6528 6.5126 6.5126 7.3249 7.3249 9.1060 9.1060 9.6310 9.6310 10.6029 10.6029 11.5901 11.5901 16.4897 16.4897 17.0822 17.0822 18.7367 18.7367 19.0912 19.0912 k = 0.5398-0.0230 0.5474 ( 1259 PWs) bands (ev): -49.1637 -49.1637 -23.4793 -23.4793 -15.9321 -15.9321 -15.7722 -15.7722 -4.8934 -4.8934 -4.6543 -4.6543 6.5462 6.5462 7.2684 7.2684 9.1430 9.1430 9.6132 9.6132 10.5980 10.5980 11.5989 11.5989 16.5218 16.5218 17.0642 17.0642 18.7426 18.7426 19.0654 19.0654 k = 0.5341-0.0197 0.5567 ( 1259 PWs) bands (ev): -49.1637 -49.1637 -23.4794 -23.4794 -15.9309 -15.9309 -15.7743 -15.7743 -4.8900 -4.8900 -4.6555 -4.6555 6.5810 6.5810 7.2134 7.2134 9.1788 9.1788 9.5941 9.5941 10.5933 10.5933 11.6074 11.6074 16.5525 16.5525 17.0466 17.0466 18.7495 18.7495 19.0399 19.0399 k = 0.5284-0.0164 0.5660 ( 1246 PWs) bands (ev): -49.1637 -49.1637 -23.4792 -23.4792 -15.9297 -15.9297 -15.7759 -15.7759 -4.8871 -4.8871 -4.6565 -4.6565 6.6166 6.6166 7.1607 7.1607 9.2131 9.2131 9.5741 9.5741 10.5888 10.5888 11.6154 11.6154 16.5809 16.5809 17.0300 17.0300 18.7571 18.7571 19.0151 19.0151 k = 0.5227-0.0131 0.5753 ( 1248 PWs) bands (ev): -49.1636 -49.1636 -23.4794 -23.4794 -15.9287 -15.9287 -15.7777 -15.7777 -4.8847 -4.8847 -4.6571 -4.6571 6.6520 6.6520 7.1111 7.1111 9.2454 9.2454 9.5533 9.5533 10.5848 10.5848 11.6225 11.6225 16.6062 16.6062 17.0149 17.0149 18.7653 18.7653 18.9919 18.9919 k = 0.5170-0.0098 0.5845 ( 1248 PWs) bands (ev): -49.1636 -49.1636 -23.4794 -23.4794 -15.9279 -15.9279 -15.7790 -15.7790 -4.8829 -4.8829 -4.6575 -4.6575 6.6859 6.6859 7.0661 7.0661 9.2750 9.2750 9.5326 9.5326 10.5815 10.5815 11.6286 11.6286 16.6274 16.6274 17.0021 17.0021 18.7734 18.7734 18.9713 18.9713 k = 0.5114-0.0066 0.5938 ( 1252 PWs) bands (ev): -49.1636 -49.1636 -23.4796 -23.4796 -15.9274 -15.9274 -15.7801 -15.7801 -4.8816 -4.8816 -4.6577 -4.6577 6.7160 6.7160 7.0281 7.0281 9.3004 9.3004 9.5135 9.5135 10.5789 10.5789 11.6332 11.6332 16.6432 16.6432 16.9924 16.9924 18.7808 18.7808 18.9546 18.9546 k = 0.5057-0.0033 0.6031 ( 1256 PWs) bands (ev): -49.1636 -49.1636 -23.4797 -23.4797 -15.9271 -15.9271 -15.7808 -15.7808 -4.8809 -4.8809 -4.6578 -4.6578 6.7380 6.7380 7.0014 7.0014 9.3188 9.3188 9.4988 9.4988 10.5773 10.5773 11.6362 11.6362 16.6530 16.6530 16.9864 16.9864 18.7861 18.7861 18.9435 18.9435 k = 0.5000-0.0000 0.6124 ( 1256 PWs) bands (ev): -49.1636 -49.1636 -23.4797 -23.4797 -15.9270 -15.9270 -15.7810 -15.7810 -4.8806 -4.8806 -4.6578 -4.6578 6.7462 6.7462 6.9915 6.9915 9.3258 9.3258 9.4930 9.4930 10.5767 10.5767 11.6373 11.6373 16.6563 16.6563 16.9845 16.9845 18.7880 18.7880 18.9395 18.9395 k = 0.5000-0.0000 0.6124 ( 1256 PWs) bands (ev): -49.1636 -49.1636 -23.4797 -23.4797 -15.9270 -15.9270 -15.7810 -15.7810 -4.8806 -4.8806 -4.6578 -4.6578 6.7462 6.7462 6.9915 6.9915 9.3258 9.3258 9.4930 9.4930 10.5767 10.5767 11.6373 11.6373 16.6563 16.6563 16.9845 16.9845 18.7880 18.7880 18.9395 18.9395 k = 0.5000 0.0066 0.6031 ( 1256 PWs) bands (ev): -49.1636 -49.1636 -23.4797 -23.4797 -15.9270 -15.9270 -15.7808 -15.7808 -4.8808 -4.8808 -4.6581 -4.6581 6.7480 6.7480 6.9920 6.9920 9.3247 9.3247 9.4914 9.4914 10.5783 10.5783 11.6345 11.6345 16.6551 16.6551 16.9846 16.9846 18.7895 18.7895 18.9408 18.9408 k = 0.5000 0.0131 0.5938 ( 1248 PWs) bands (ev): -49.1636 -49.1636 -23.4794 -23.4794 -15.9268 -15.9268 -15.7803 -15.7803 -4.8814 -4.8814 -4.6588 -4.6588 6.7535 6.7535 6.9934 6.9934 9.3208 9.3208 9.4871 9.4871 10.5829 10.5829 11.6262 11.6262 16.6515 16.6515 16.9849 16.9849 18.7940 18.7940 18.9447 18.9447 k = 0.5000 0.0197 0.5845 ( 1248 PWs) bands (ev): -49.1637 -49.1637 -23.4793 -23.4793 -15.9266 -15.9266 -15.7795 -15.7795 -4.8826 -4.8826 -4.6600 -4.6600 6.7626 6.7626 6.9959 6.9959 9.3136 9.3136 9.4812 9.4812 10.5902 10.5902 11.6124 11.6124 16.6458 16.6458 16.9854 16.9854 18.8007 18.8007 18.9516 18.9516 k = 0.5000 0.0262 0.5753 ( 1248 PWs) bands (ev): -49.1637 -49.1637 -23.4791 -23.4791 -15.9265 -15.9265 -15.7785 -15.7785 -4.8843 -4.8843 -4.6616 -4.6616 6.7753 6.7753 6.9993 6.9993 9.3016 9.3016 9.4752 9.4752 10.5999 10.5999 11.5932 11.5932 16.6380 16.6380 16.9860 16.9860 18.8090 18.8090 18.9622 18.9622 k = 0.5000 0.0328 0.5660 ( 1250 PWs) bands (ev): -49.1637 -49.1637 -23.4788 -23.4788 -15.9263 -15.9263 -15.7771 -15.7771 -4.8867 -4.8867 -4.6633 -4.6633 6.7915 6.7915 7.0038 7.0038 9.2838 9.2838 9.4709 9.4709 10.6114 10.6114 11.5687 11.5687 16.6285 16.6285 16.9864 16.9864 18.8176 18.8176 18.9773 18.9773 k = 0.5000 0.0394 0.5567 ( 1254 PWs) bands (ev): -49.1638 -49.1638 -23.4786 -23.4786 -15.9261 -15.9261 -15.7754 -15.7754 -4.8900 -4.8900 -4.6650 -4.6650 6.8111 6.8111 7.0093 7.0093 9.2596 9.2596 9.4695 9.4695 10.6242 10.6242 11.5390 11.5390 16.6175 16.6175 16.9866 16.9866 18.8255 18.8255 18.9975 18.9975 k = 0.5000 0.0459 0.5474 ( 1258 PWs) bands (ev): -49.1639 -49.1639 -23.4783 -23.4783 -15.9259 -15.9259 -15.7735 -15.7735 -4.8944 -4.8944 -4.6664 -4.6664 6.8340 6.8340 7.0160 7.0160 9.2291 9.2291 9.4714 9.4714 10.6377 10.6377 11.5043 11.5043 16.6054 16.6054 16.9865 16.9865 18.8320 18.8320 19.0232 19.0232 k = 0.5000 0.0525 0.5381 ( 1256 PWs) bands (ev): -49.1639 -49.1639 -23.4778 -23.4778 -15.9257 -15.9257 -15.7711 -15.7711 -4.9001 -4.9001 -4.6673 -4.6673 6.8601 6.8601 7.0240 7.0240 9.1931 9.1931 9.4765 9.4765 10.6514 10.6514 11.4648 11.4648 16.5925 16.5925 16.9859 16.9859 18.8366 18.8366 19.0544 19.0544 k = 0.5000 0.0590 0.5289 ( 1256 PWs) bands (ev): -49.1640 -49.1640 -23.4773 -23.4773 -15.9254 -15.9254 -15.7684 -15.7684 -4.9072 -4.9072 -4.6676 -4.6676 6.8890 6.8890 7.0334 7.0334 9.1525 9.1525 9.4844 9.4844 10.6649 10.6649 11.4207 11.4207 16.5791 16.5791 16.9846 16.9846 18.8395 18.8395 19.0905 19.0905 k = 0.5000 0.0656 0.5196 ( 1256 PWs) bands (ev): -49.1641 -49.1641 -23.4768 -23.4768 -15.9253 -15.9253 -15.7654 -15.7654 -4.9159 -4.9159 -4.6670 -4.6670 6.9204 6.9204 7.0447 7.0447 9.1082 9.1082 9.4946 9.4946 10.6776 10.6776 11.3721 11.3721 16.5654 16.5654 16.9826 16.9826 18.8407 18.8407 19.1310 19.1310 k = 0.5000 0.0722 0.5103 ( 1264 PWs) bands (ev): -49.1642 -49.1642 -23.4764 -23.4764 -15.9252 -15.9252 -15.7623 -15.7623 -4.9263 -4.9263 -4.6654 -4.6654 6.9535 6.9535 7.0584 7.0584 9.0610 9.0610 9.5068 9.5068 10.6891 10.6891 11.3194 11.3194 16.5517 16.5517 16.9798 16.9798 18.8405 18.8405 19.1753 19.1753 k = 0.5000 0.0787 0.5010 ( 1262 PWs) bands (ev): -49.1643 -49.1643 -23.4757 -23.4757 -15.9251 -15.9251 -15.7586 -15.7586 -4.9383 -4.9383 -4.6627 -4.6627 6.9871 6.9871 7.0757 7.0757 9.0117 9.0117 9.5206 9.5206 10.6993 10.6993 11.2628 11.2628 16.5382 16.5382 16.9759 16.9759 18.8390 18.8390 19.2229 19.2229 k = 0.5000 0.0853 0.4918 ( 1264 PWs) bands (ev): -49.1644 -49.1644 -23.4751 -23.4751 -15.9251 -15.9251 -15.7546 -15.7546 -4.9519 -4.9519 -4.6589 -4.6589 7.0188 7.0188 7.0989 7.0989 8.9608 8.9608 9.5360 9.5360 10.7076 10.7076 11.2027 11.2027 16.5251 16.5251 16.9711 16.9711 18.8364 18.8364 19.2733 19.2733 k = 0.5000 0.0919 0.4825 ( 1260 PWs) bands (ev): -49.1645 -49.1645 -23.4743 -23.4743 -15.9251 -15.9251 -15.7503 -15.7503 -4.9672 -4.9672 -4.6541 -4.6541 7.0464 7.0464 7.1299 7.1299 8.9089 8.9089 9.5526 9.5526 10.7140 10.7140 11.1393 11.1393 16.5125 16.5125 16.9650 16.9650 18.8330 18.8330 19.3259 19.3259 k = 0.5000 0.0984 0.4732 ( 1254 PWs) bands (ev): -49.1647 -49.1647 -23.4734 -23.4734 -15.9250 -15.9250 -15.7457 -15.7457 -4.9838 -4.9838 -4.6482 -4.6482 7.0698 7.0698 7.1690 7.1690 8.8564 8.8564 9.5702 9.5702 10.7180 10.7180 11.0730 11.0730 16.5006 16.5006 16.9578 16.9578 18.8290 18.8290 19.3804 19.3804 k = 0.5000 0.1050 0.4639 ( 1258 PWs) bands (ev): -49.1648 -49.1648 -23.4728 -23.4728 -15.9253 -15.9253 -15.7410 -15.7410 -5.0017 -5.0017 -4.6415 -4.6415 7.0905 7.0905 7.2142 7.2142 8.8037 8.8037 9.5888 9.5888 10.7196 10.7196 11.0042 11.0042 16.4894 16.4894 16.9493 16.9493 18.8243 18.8243 19.4363 19.4363 k = 0.5000 0.1115 0.4546 ( 1262 PWs) bands (ev): -49.1649 -49.1649 -23.4721 -23.4721 -15.9256 -15.9256 -15.7359 -15.7359 -5.0208 -5.0208 -4.6339 -4.6339 7.1102 7.1102 7.2637 7.2637 8.7513 8.7513 9.6081 9.6081 10.7182 10.7182 10.9336 10.9336 16.4791 16.4791 16.9395 16.9395 18.8194 18.8194 19.4935 19.4935 k = 0.5000 0.1181 0.4454 ( 1262 PWs) bands (ev): -49.1651 -49.1651 -23.4713 -23.4713 -15.9259 -15.9259 -15.7306 -15.7306 -5.0409 -5.0409 -4.6256 -4.6256 7.1299 7.1299 7.3164 7.3164 8.6995 8.6995 9.6280 9.6280 10.7131 10.7131 10.8621 10.8621 16.4696 16.4696 16.9284 16.9284 18.8142 18.8142 19.5514 19.5514 k = 0.5000 0.1247 0.4361 ( 1264 PWs) bands (ev): -49.1652 -49.1652 -23.4705 -23.4705 -15.9263 -15.9263 -15.7252 -15.7252 -5.0617 -5.0617 -4.6167 -4.6167 7.1501 7.1501 7.3714 7.3714 8.6487 8.6487 9.6484 9.6484 10.7014 10.7014 10.7930 10.7930 16.4610 16.4610 16.9159 16.9159 18.8090 18.8090 19.6099 19.6099 k = 0.5000 0.1312 0.4268 ( 1266 PWs) bands (ev): -49.1654 -49.1654 -23.4697 -23.4697 -15.9269 -15.9269 -15.7195 -15.7195 -5.0831 -5.0831 -4.6073 -4.6073 7.1710 7.1710 7.4282 7.4282 8.5994 8.5994 9.6689 9.6689 10.6708 10.6708 10.7388 10.7388 16.4533 16.4533 16.9022 16.9022 18.8039 18.8039 19.6687 19.6687 k = 0.5000 0.1378 0.4175 ( 1264 PWs) bands (ev): -49.1655 -49.1655 -23.4688 -23.4688 -15.9274 -15.9274 -15.7137 -15.7137 -5.1051 -5.1051 -4.5975 -4.5975 7.1929 7.1929 7.4863 7.4863 8.5518 8.5518 9.6895 9.6895 10.6096 10.6096 10.7116 10.7116 16.4465 16.4465 16.8872 16.8872 18.7990 18.7990 19.7276 19.7276 k = 0.5000 0.1443 0.4082 ( 1264 PWs) bands (ev): -49.1656 -49.1656 -23.4680 -23.4680 -15.9280 -15.9280 -15.7077 -15.7077 -5.1273 -5.1273 -4.5874 -4.5874 7.2157 7.2157 7.5450 7.5450 8.5067 8.5067 9.7098 9.7098 10.5358 10.5358 10.6938 10.6938 16.4405 16.4405 16.8711 16.8711 18.7944 18.7944 19.7863 19.7863 k = 0.5000 0.1509 0.3990 ( 1264 PWs) bands (ev): -49.1658 -49.1658 -23.4671 -23.4671 -15.9286 -15.9286 -15.7017 -15.7017 -5.1497 -5.1497 -4.5770 -4.5770 7.2396 7.2396 7.6036 7.6036 8.4646 8.4646 9.7296 9.7296 10.4589 10.4589 10.6765 10.6765 16.4354 16.4354 16.8540 16.8540 18.7903 18.7903 19.8446 19.8446 k = 0.5000 0.1575 0.3897 ( 1264 PWs) bands (ev): -49.1659 -49.1659 -23.4663 -23.4663 -15.9293 -15.9293 -15.6956 -15.6956 -5.1721 -5.1721 -4.5665 -4.5665 7.2645 7.2645 7.6613 7.6613 8.4263 8.4263 9.7485 9.7485 10.3815 10.3815 10.6577 10.6577 16.4309 16.4309 16.8359 16.8359 18.7866 18.7866 19.9024 19.9024 k = 0.5000 0.1640 0.3804 ( 1260 PWs) bands (ev): -49.1661 -49.1661 -23.4653 -23.4653 -15.9300 -15.9300 -15.6895 -15.6895 -5.1944 -5.1944 -4.5559 -4.5559 7.2905 7.2905 7.7168 7.7168 8.3930 8.3930 9.7658 9.7658 10.3047 10.3047 10.6370 10.6370 16.4271 16.4271 16.8173 16.8173 18.7835 18.7835 19.9594 19.9594 k = 0.5000 0.1706 0.3711 ( 1260 PWs) bands (ev): -49.1662 -49.1662 -23.4645 -23.4645 -15.9308 -15.9308 -15.6835 -15.6835 -5.2164 -5.2164 -4.5454 -4.5454 7.3175 7.3175 7.7684 7.7684 8.3663 8.3663 9.7806 9.7806 10.2301 10.2301 10.6143 10.6143 16.4238 16.4238 16.7981 16.7981 18.7809 18.7809 20.0156 20.0156 k = 0.5000 0.1771 0.3619 ( 1260 PWs) bands (ev): -49.1663 -49.1663 -23.4637 -23.4637 -15.9316 -15.9316 -15.6775 -15.6775 -5.2380 -5.2380 -4.5349 -4.5349 7.3454 7.3454 7.8140 7.8140 8.3482 8.3482 9.7913 9.7913 10.1594 10.1594 10.5895 10.5895 16.4209 16.4209 16.7787 16.7787 18.7788 18.7788 20.0707 20.0707 k = 0.5000 0.1837 0.3526 ( 1258 PWs) bands (ev): -49.1665 -49.1665 -23.4629 -23.4629 -15.9323 -15.9323 -15.6716 -15.6716 -5.2591 -5.2591 -4.5247 -4.5247 7.3743 7.3743 7.8508 7.8508 8.3414 8.3414 9.7949 9.7949 10.0958 10.0958 10.5627 10.5627 16.4183 16.4183 16.7593 16.7593 18.7773 18.7773 20.1246 20.1246 k = 0.5000 0.1903 0.3433 ( 1260 PWs) bands (ev): -49.1666 -49.1666 -23.4622 -23.4622 -15.9331 -15.9331 -15.6660 -15.6660 -5.2795 -5.2795 -4.5146 -4.5146 7.4039 7.4039 7.8766 7.8766 8.3478 8.3478 9.7866 9.7866 10.0444 10.0444 10.5342 10.5342 16.4159 16.4159 16.7402 16.7402 18.7764 18.7764 20.1773 20.1773 k = 0.5000 0.1968 0.3340 ( 1256 PWs) bands (ev): -49.1667 -49.1667 -23.4614 -23.4614 -15.9339 -15.9339 -15.6604 -15.6604 -5.2992 -5.2992 -4.5049 -4.5049 7.4342 7.4342 7.8904 7.8904 8.3683 8.3683 9.7613 9.7613 10.0103 10.0103 10.5040 10.5040 16.4134 16.4134 16.7217 16.7217 18.7759 18.7759 20.2286 20.2286 k = 0.5000 0.2034 0.3247 ( 1256 PWs) bands (ev): -49.1668 -49.1668 -23.4607 -23.4607 -15.9346 -15.9346 -15.6551 -15.6551 -5.3180 -5.3180 -4.4956 -4.4956 7.4650 7.4650 7.8936 7.8936 8.4013 8.4013 9.7190 9.7190 9.9940 9.9940 10.4726 10.4726 16.4109 16.4109 16.7041 16.7041 18.7758 18.7758 20.2785 20.2785 k = 0.5000 0.2099 0.3155 ( 1262 PWs) bands (ev): -49.1669 -49.1669 -23.4602 -23.4602 -15.9354 -15.9354 -15.6501 -15.6501 -5.3358 -5.3358 -4.4867 -4.4867 7.4961 7.4961 7.8886 7.8886 8.4440 8.4440 9.6651 9.6651 9.9898 9.9898 10.4402 10.4402 16.4080 16.4080 16.6877 16.6877 18.7761 18.7761 20.3269 20.3269 k = 0.5000 0.2165 0.3062 ( 1260 PWs) bands (ev): -49.1670 -49.1670 -23.4595 -23.4595 -15.9361 -15.9361 -15.6452 -15.6452 -5.3526 -5.3526 -4.4783 -4.4783 7.5273 7.5273 7.8784 7.8784 8.4932 8.4932 9.6060 9.6060 9.9920 9.9920 10.4073 10.4073 16.4048 16.4048 16.6726 16.6726 18.7767 18.7767 20.3738 20.3738 k = 0.5000 0.2231 0.2969 ( 1260 PWs) bands (ev): -49.1671 -49.1671 -23.4589 -23.4589 -15.9368 -15.9368 -15.6407 -15.6407 -5.3683 -5.3683 -4.4704 -4.4704 7.5582 7.5582 7.8654 7.8654 8.5461 8.5461 9.5454 9.5454 9.9966 9.9966 10.3745 10.3745 16.4012 16.4012 16.6592 16.6592 18.7775 18.7775 20.4192 20.4192 k = 0.5000 0.2296 0.2876 ( 1260 PWs) bands (ev): -49.1672 -49.1672 -23.4584 -23.4584 -15.9375 -15.9375 -15.6365 -15.6365 -5.3827 -5.3827 -4.4632 -4.4632 7.5884 7.5884 7.8513 7.8513 8.6006 8.6006 9.4857 9.4857 10.0015 10.0015 10.3424 10.3424 16.3971 16.3971 16.6474 16.6474 18.7785 18.7785 20.4632 20.4632 k = 0.5000 0.2362 0.2784 ( 1258 PWs) bands (ev): -49.1673 -49.1673 -23.4579 -23.4579 -15.9379 -15.9379 -15.6328 -15.6328 -5.3957 -5.3957 -4.4565 -4.4565 7.6174 7.6174 7.8372 7.8372 8.6550 8.6550 9.4286 9.4286 10.0052 10.0052 10.3118 10.3118 16.3926 16.3926 16.6374 16.6374 18.7796 18.7796 20.5057 20.5057 k = 0.5000 0.2427 0.2691 ( 1258 PWs) bands (ev): -49.1674 -49.1674 -23.4574 -23.4574 -15.9384 -15.9384 -15.6294 -15.6294 -5.4075 -5.4075 -4.4506 -4.4506 7.6447 7.6447 7.8242 7.8242 8.7077 8.7077 9.3751 9.3751 10.0070 10.0070 10.2837 10.2837 16.3880 16.3880 16.6291 16.6291 18.7808 18.7808 20.5470 20.5470 k = 0.5000 0.2493 0.2598 ( 1258 PWs) bands (ev): -49.1674 -49.1674 -23.4571 -23.4571 -15.9389 -15.9389 -15.6264 -15.6264 -5.4177 -5.4177 -4.4453 -4.4453 7.6694 7.6694 7.8129 7.8129 8.7575 8.7575 9.3262 9.3262 10.0060 10.0060 10.2591 10.2591 16.3833 16.3833 16.6224 16.6224 18.7819 18.7819 20.5869 20.5869 k = 0.5000 0.2559 0.2505 ( 1258 PWs) bands (ev): -49.1675 -49.1675 -23.4567 -23.4567 -15.9393 -15.9393 -15.6238 -15.6238 -5.4265 -5.4265 -4.4409 -4.4409 7.6908 7.6908 7.8041 7.8041 8.8031 8.8031 9.2827 9.2827 10.0023 10.0023 10.2387 10.2387 16.3788 16.3788 16.6172 16.6172 18.7830 18.7830 20.6256 20.6256 k = 0.5000 0.2624 0.2412 ( 1256 PWs) bands (ev): -49.1675 -49.1675 -23.4564 -23.4564 -15.9396 -15.9396 -15.6216 -15.6216 -5.4338 -5.4338 -4.4371 -4.4371 7.7078 7.7078 7.7984 7.7984 8.8432 8.8432 9.2455 9.2455 9.9963 9.9963 10.2230 10.2230 16.3747 16.3747 16.6132 16.6132 18.7839 18.7839 20.6630 20.6630 k = 0.5000 0.2690 0.2320 ( 1258 PWs) bands (ev): -49.1676 -49.1676 -23.4563 -23.4563 -15.9399 -15.9399 -15.6200 -15.6200 -5.4394 -5.4394 -4.4343 -4.4343 7.7196 7.7196 7.7960 7.7960 8.8763 8.8763 9.2154 9.2154 9.9891 9.9891 10.2117 10.2117 16.3713 16.3713 16.6103 16.6103 18.7847 18.7847 20.6986 20.6986 k = 0.5000 0.2756 0.2227 ( 1260 PWs) bands (ev): -49.1676 -49.1676 -23.4562 -23.4562 -15.9401 -15.9401 -15.6188 -15.6188 -5.4435 -5.4435 -4.4322 -4.4322 7.7264 7.7264 7.7963 7.7963 8.9013 8.9013 9.1931 9.1931 9.9823 9.9823 10.2044 10.2044 16.3687 16.3687 16.6084 16.6084 18.7853 18.7853 20.7314 20.7314 k = 0.5000 0.2821 0.2134 ( 1260 PWs) bands (ev): -49.1676 -49.1676 -23.4561 -23.4561 -15.9402 -15.9402 -15.6181 -15.6181 -5.4460 -5.4460 -4.4309 -4.4309 7.7296 7.7296 7.7976 7.7976 8.9169 8.9169 9.1794 9.1794 9.9775 9.9775 10.2004 10.2004 16.3670 16.3670 16.6073 16.6073 18.7856 18.7856 20.7578 20.7578 k = 0.5000 0.2887 0.2041 ( 1260 PWs) bands (ev): -49.1676 -49.1676 -23.4561 -23.4561 -15.9402 -15.9402 -15.6179 -15.6179 -5.4468 -5.4468 -4.4305 -4.4305 7.7305 7.7305 7.7982 7.7982 8.9222 8.9222 9.1747 9.1747 9.9757 9.9757 10.1991 10.1991 16.3665 16.3665 16.6069 16.6069 18.7857 18.7857 20.7691 20.7691 k = 0.5000 0.2887 0.2041 ( 1260 PWs) bands (ev): -49.1676 -49.1676 -23.4561 -23.4561 -15.9402 -15.9402 -15.6179 -15.6179 -5.4468 -5.4468 -4.4305 -4.4305 7.7305 7.7305 7.7982 7.7982 8.9222 8.9222 9.1747 9.1747 9.9757 9.9757 10.1991 10.1991 16.3665 16.3665 16.6069 16.6069 18.7857 18.7857 20.7691 20.7691 k = 0.4967 0.2868 0.2149 ( 1260 PWs) bands (ev): -49.1676 -49.1676 -23.4561 -23.4561 -15.9402 -15.9402 -15.6181 -15.6181 -5.4460 -5.4460 -4.4309 -4.4309 7.7296 7.7296 7.7976 7.7976 8.9169 8.9169 9.1794 9.1794 9.9775 9.9775 10.2004 10.2004 16.3670 16.3670 16.6073 16.6073 18.7856 18.7856 20.7577 20.7577 k = 0.4934 0.2849 0.2256 ( 1260 PWs) bands (ev): -49.1676 -49.1676 -23.4562 -23.4562 -15.9401 -15.9401 -15.6189 -15.6189 -5.4435 -5.4435 -4.4322 -4.4322 7.7264 7.7264 7.7963 7.7963 8.9012 8.9012 9.1932 9.1932 9.9824 9.9824 10.2045 10.2045 16.3687 16.3687 16.6084 16.6084 18.7853 18.7853 20.7312 20.7312 k = 0.4901 0.2830 0.2364 ( 1256 PWs) bands (ev): -49.1676 -49.1676 -23.4562 -23.4562 -15.9399 -15.9399 -15.6200 -15.6200 -5.4394 -5.4394 -4.4343 -4.4343 7.7195 7.7195 7.7960 7.7960 8.8761 8.8761 9.2156 9.2156 9.9892 9.9892 10.2118 10.2118 16.3713 16.3713 16.6103 16.6103 18.7847 18.7847 20.6983 20.6983 k = 0.4868 0.2811 0.2471 ( 1258 PWs) bands (ev): -49.1675 -49.1675 -23.4565 -23.4565 -15.9396 -15.9396 -15.6217 -15.6217 -5.4337 -5.4337 -4.4372 -4.4372 7.7075 7.7075 7.7986 7.7986 8.8427 8.8427 9.2459 9.2459 9.9964 9.9964 10.2232 10.2232 16.3747 16.3747 16.6133 16.6133 18.7839 18.7839 20.6625 20.6625 k = 0.4836 0.2792 0.2578 ( 1255 PWs) bands (ev): -49.1675 -49.1675 -23.4567 -23.4567 -15.9392 -15.9392 -15.6238 -15.6238 -5.4264 -5.4264 -4.4409 -4.4409 7.6901 7.6901 7.8048 7.8048 8.8023 8.8023 9.2834 9.2834 10.0023 10.0023 10.2391 10.2391 16.3788 16.3788 16.6173 16.6173 18.7830 18.7830 20.6250 20.6250 k = 0.4803 0.2773 0.2686 ( 1257 PWs) bands (ev): -49.1674 -49.1674 -23.4571 -23.4571 -15.9389 -15.9389 -15.6264 -15.6264 -5.4176 -5.4176 -4.4454 -4.4454 7.6680 7.6680 7.8145 7.8145 8.7562 8.7562 9.3273 9.3273 10.0057 10.0057 10.2597 10.2597 16.3832 16.3832 16.6227 16.6227 18.7819 18.7819 20.5862 20.5862 k = 0.4770 0.2754 0.2793 ( 1259 PWs) bands (ev): -49.1674 -49.1674 -23.4575 -23.4575 -15.9384 -15.9384 -15.6294 -15.6294 -5.4072 -5.4072 -4.4507 -4.4507 7.6421 7.6421 7.8272 7.8272 8.7055 8.7055 9.3770 9.3770 10.0061 10.0061 10.2847 10.2847 16.3877 16.3877 16.6296 16.6296 18.7808 18.7808 20.5460 20.5460 k = 0.4737 0.2735 0.2901 ( 1260 PWs) bands (ev): -49.1673 -49.1673 -23.4579 -23.4579 -15.9379 -15.9379 -15.6329 -15.6329 -5.3955 -5.3955 -4.4566 -4.4566 7.6132 7.6132 7.8426 7.8426 8.6514 8.6514 9.4315 9.4315 10.0034 10.0034 10.3133 10.3133 16.3920 16.3920 16.6383 16.6383 18.7796 18.7796 20.5045 20.5045 k = 0.4704 0.2716 0.3008 ( 1260 PWs) bands (ev): -49.1672 -49.1672 -23.4584 -23.4584 -15.9374 -15.9374 -15.6367 -15.6367 -5.3823 -5.3823 -4.4633 -4.4633 7.5818 7.5818 7.8606 7.8606 8.5948 8.5948 9.4903 9.4903 9.9981 9.9981 10.3446 10.3446 16.3958 16.3958 16.6491 16.6491 18.7785 18.7785 20.4616 20.4616 k = 0.4671 0.2697 0.3116 ( 1262 PWs) bands (ev): -49.1671 -49.1671 -23.4590 -23.4590 -15.9368 -15.9368 -15.6409 -15.6409 -5.3679 -5.3679 -4.4706 -4.4706 7.5485 7.5485 7.8808 7.8808 8.5366 8.5366 9.5523 9.5523 9.9907 9.9907 10.3777 10.3777 16.3988 16.3988 16.6620 16.6620 18.7775 18.7775 20.4171 20.4171 k = 0.4638 0.2678 0.3223 ( 1261 PWs) bands (ev): -49.1670 -49.1670 -23.4595 -23.4595 -15.9361 -15.9361 -15.6454 -15.6454 -5.3522 -5.3522 -4.4785 -4.4785 7.5134 7.5134 7.9031 7.9031 8.4777 8.4777 9.6167 9.6167 9.9821 9.9821 10.4118 10.4118 16.4009 16.4009 16.6771 16.6771 18.7767 18.7767 20.3711 20.3711 k = 0.4605 0.2659 0.3330 ( 1257 PWs) bands (ev): -49.1669 -49.1669 -23.4601 -23.4601 -15.9354 -15.9354 -15.6501 -15.6501 -5.3354 -5.3354 -4.4869 -4.4869 7.4768 7.4768 7.9275 7.9275 8.4188 8.4188 9.6821 9.6821 9.9733 9.9733 10.4463 10.4463 16.4019 16.4019 16.6944 16.6944 18.7762 18.7762 20.3235 20.3235 k = 0.4572 0.2640 0.3438 ( 1257 PWs) bands (ev): -49.1668 -49.1668 -23.4607 -23.4607 -15.9346 -15.9346 -15.6552 -15.6552 -5.3175 -5.3175 -4.4958 -4.4958 7.4388 7.4388 7.9538 7.9538 8.3606 8.3606 9.7459 9.7459 9.9667 9.9667 10.4806 10.4806 16.4017 16.4017 16.7139 16.7139 18.7760 18.7760 20.2743 20.2743 k = 0.4539 0.2621 0.3545 ( 1261 PWs) bands (ev): -49.1667 -49.1667 -23.4615 -23.4615 -15.9340 -15.9340 -15.6605 -15.6605 -5.2987 -5.2987 -4.5051 -4.5051 7.3993 7.3993 7.9819 7.9819 8.3040 8.3040 9.8021 9.8021 9.9680 9.9680 10.5146 10.5146 16.4004 16.4004 16.7353 16.7353 18.7762 18.7762 20.2235 20.2235 k = 0.4507 0.2602 0.3653 ( 1261 PWs) bands (ev): -49.1666 -49.1666 -23.4622 -23.4622 -15.9332 -15.9332 -15.6660 -15.6660 -5.2790 -5.2790 -4.5148 -4.5148 7.3583 7.3583 8.0116 8.0116 8.2495 8.2495 9.8383 9.8383 9.9894 9.9894 10.5479 10.5479 16.3980 16.3980 16.7585 16.7585 18.7769 18.7769 20.1711 20.1711 k = 0.4474 0.2583 0.3760 ( 1267 PWs) bands (ev): -49.1665 -49.1665 -23.4631 -23.4631 -15.9326 -15.9326 -15.6718 -15.6718 -5.2587 -5.2587 -4.5247 -4.5247 7.3157 7.3157 8.0426 8.0426 8.1979 8.1979 9.8479 9.8479 10.0372 10.0372 10.5806 10.5806 16.3945 16.3945 16.7833 16.7833 18.7781 18.7781 20.1173 20.1173 k = 0.4441 0.2564 0.3868 ( 1265 PWs) bands (ev): -49.1663 -49.1663 -23.4639 -23.4639 -15.9319 -15.9319 -15.6775 -15.6775 -5.2377 -5.2377 -4.5349 -4.5349 7.2714 7.2714 8.0737 8.0737 8.1509 8.1509 9.8413 9.8413 10.1003 10.1003 10.6125 10.6125 16.3901 16.3901 16.8093 16.8093 18.7799 18.7799 20.0621 20.0621 k = 0.4408 0.2545 0.3975 ( 1265 PWs) bands (ev): -49.1662 -49.1662 -23.4647 -23.4647 -15.9312 -15.9312 -15.6833 -15.6833 -5.2163 -5.2163 -4.5451 -4.5451 7.2255 7.2255 8.0893 8.0893 8.1243 8.1243 9.8278 9.8278 10.1691 10.1691 10.6441 10.6441 16.3848 16.3848 16.8364 16.8364 18.7824 18.7824 20.0058 20.0058 k = 0.4375 0.2526 0.4082 ( 1263 PWs) bands (ev): -49.1661 -49.1661 -23.4654 -23.4654 -15.9306 -15.9306 -15.6891 -15.6891 -5.1947 -5.1947 -4.5554 -4.5554 7.1778 7.1778 8.0572 8.0572 8.1507 8.1507 9.8111 9.8111 10.2392 10.2392 10.6755 10.6755 16.3786 16.3786 16.8643 16.8643 18.7855 18.7855 19.9486 19.9486 k = 0.4342 0.2507 0.4190 ( 1266 PWs) bands (ev): -49.1659 -49.1659 -23.4663 -23.4663 -15.9301 -15.9301 -15.6949 -15.6949 -5.1729 -5.1729 -4.5656 -4.5656 7.1284 7.1284 8.0214 8.0214 8.1860 8.1860 9.7929 9.7929 10.3081 10.3081 10.7074 10.7074 16.3716 16.3716 16.8927 16.8927 18.7892 18.7892 19.8906 19.8906 k = 0.4309 0.2488 0.4297 ( 1264 PWs) bands (ev): -49.1658 -49.1658 -23.4671 -23.4671 -15.9297 -15.9297 -15.7006 -15.7006 -5.1511 -5.1511 -4.5756 -4.5756 7.0774 7.0774 7.9892 7.9892 8.2229 8.2229 9.7739 9.7739 10.3740 10.3740 10.7408 10.7408 16.3640 16.3640 16.9213 16.9213 18.7936 18.7936 19.8322 19.8322 k = 0.4276 0.2469 0.4405 ( 1264 PWs) bands (ev): -49.1656 -49.1656 -23.4680 -23.4680 -15.9294 -15.9294 -15.7062 -15.7062 -5.1295 -5.1295 -4.5853 -4.5853 7.0252 7.0252 7.9611 7.9611 8.2607 8.2607 9.7547 9.7547 10.4349 10.4349 10.7768 10.7768 16.3556 16.3556 16.9499 16.9499 18.7984 18.7984 19.7737 19.7737 k = 0.4243 0.2450 0.4512 ( 1264 PWs) bands (ev): -49.1655 -49.1655 -23.4688 -23.4688 -15.9292 -15.9292 -15.7116 -15.7116 -5.1083 -5.1083 -4.5946 -4.5946 6.9718 6.9718 7.9373 7.9373 8.2990 8.2990 9.7357 9.7357 10.4892 10.4892 10.8166 10.8166 16.3467 16.3467 16.9783 16.9783 18.8037 18.8037 19.7156 19.7156 k = 0.4211 0.2431 0.4620 ( 1262 PWs) bands (ev): -49.1653 -49.1653 -23.4696 -23.4696 -15.9291 -15.9291 -15.7167 -15.7167 -5.0877 -5.0877 -4.6034 -4.6034 6.9176 6.9176 7.9178 7.9178 8.3374 8.3374 9.7173 9.7173 10.5354 10.5354 10.8612 10.8612 16.3373 16.3373 17.0062 17.0062 18.8092 18.8092 19.6582 19.6582 k = 0.4178 0.2412 0.4727 ( 1264 PWs) bands (ev): -49.1652 -49.1652 -23.4705 -23.4705 -15.9293 -15.9293 -15.7217 -15.7217 -5.0679 -5.0679 -4.6115 -4.6115 6.8630 6.8630 7.9022 7.9022 8.3755 8.3755 9.6998 9.6998 10.5729 10.5729 10.9108 10.9108 16.3274 16.3274 17.0333 17.0333 18.8147 18.8147 19.6022 19.6022 k = 0.4145 0.2393 0.4835 ( 1268 PWs) bands (ev): -49.1651 -49.1651 -23.4713 -23.4713 -15.9297 -15.9297 -15.7263 -15.7263 -5.0491 -5.0491 -4.6188 -4.6188 6.8083 6.8083 7.8906 7.8906 8.4130 8.4130 9.6836 9.6836 10.6023 10.6023 10.9646 10.9646 16.3171 16.3171 17.0595 17.0595 18.8198 18.8198 19.5481 19.5481 k = 0.4112 0.2374 0.4942 ( 1268 PWs) bands (ev): -49.1650 -49.1650 -23.4721 -23.4721 -15.9302 -15.9302 -15.7305 -15.7305 -5.0315 -5.0315 -4.6252 -4.6252 6.7539 6.7539 7.8825 7.8825 8.4495 8.4495 9.6691 9.6691 10.6245 10.6245 11.0212 11.0212 16.3065 16.3065 17.0845 17.0845 18.8240 18.8240 19.4967 19.4967 k = 0.4079 0.2355 0.5049 ( 1264 PWs) bands (ev): -49.1648 -49.1648 -23.4728 -23.4728 -15.9308 -15.9308 -15.7343 -15.7343 -5.0152 -5.0152 -4.6306 -4.6306 6.7002 6.7002 7.8778 7.8778 8.4844 8.4844 9.6568 9.6568 10.6407 10.6407 11.0792 11.0792 16.2957 16.2957 17.1080 17.1080 18.8269 18.8269 19.4489 19.4489 k = 0.4046 0.2336 0.5157 ( 1264 PWs) bands (ev): -49.1647 -49.1647 -23.4735 -23.4735 -15.9317 -15.9317 -15.7376 -15.7376 -5.0005 -5.0005 -4.6349 -4.6349 6.6475 6.6475 7.8762 7.8762 8.5173 8.5173 9.6473 9.6473 10.6521 10.6521 11.1371 11.1371 16.2848 16.2848 17.1300 17.1300 18.8278 18.8278 19.4055 19.4055 k = 0.4013 0.2317 0.5264 ( 1268 PWs) bands (ev): -49.1646 -49.1646 -23.4743 -23.4743 -15.9329 -15.9329 -15.7406 -15.7406 -4.9875 -4.9875 -4.6380 -4.6380 6.5962 6.5962 7.8774 7.8774 8.5476 8.5476 9.6408 9.6408 10.6594 10.6594 11.1937 11.1937 16.2738 16.2738 17.1503 17.1503 18.8260 18.8260 19.3677 19.3677 k = 0.3980 0.2298 0.5372 ( 1268 PWs) bands (ev): -49.1645 -49.1645 -23.4749 -23.4749 -15.9342 -15.9342 -15.7430 -15.7430 -4.9762 -4.9762 -4.6399 -4.6399 6.5465 6.5465 7.8812 7.8812 8.5748 8.5748 9.6381 9.6381 10.6636 10.6636 11.2481 11.2481 16.2629 16.2629 17.1686 17.1686 18.8210 18.8210 19.3362 19.3362 k = 0.3947 0.2279 0.5479 ( 1268 PWs) bands (ev): -49.1644 -49.1644 -23.4755 -23.4755 -15.9357 -15.9357 -15.7450 -15.7450 -4.9667 -4.9667 -4.6406 -4.6406 6.4987 6.4987 7.8872 7.8872 8.5983 8.5983 9.6396 9.6396 10.6650 10.6650 11.2996 11.2996 16.2520 16.2520 17.1848 17.1848 18.8122 18.8122 19.3118 19.3118 k = 0.3914 0.2260 0.5587 ( 1264 PWs) bands (ev): -49.1643 -49.1643 -23.4760 -23.4760 -15.9374 -15.9374 -15.7464 -15.7464 -4.9590 -4.9590 -4.6404 -4.6404 6.4532 6.4532 7.8953 7.8953 8.6176 8.6176 9.6456 9.6456 10.6640 10.6640 11.3475 11.3475 16.2413 16.2413 17.1989 17.1989 18.7998 18.7998 19.2946 19.2946 k = 0.3882 0.2241 0.5694 ( 1264 PWs) bands (ev): -49.1642 -49.1642 -23.4765 -23.4765 -15.9391 -15.9391 -15.7475 -15.7475 -4.9528 -4.9528 -4.6394 -4.6394 6.4101 6.4101 7.9051 7.9051 8.6324 8.6324 9.6565 9.6565 10.6612 10.6612 11.3912 11.3912 16.2309 16.2309 17.2108 17.2108 18.7843 18.7843 19.2846 19.2846 k = 0.3849 0.2222 0.5801 ( 1264 PWs) bands (ev): -49.1641 -49.1641 -23.4770 -23.4770 -15.9410 -15.9410 -15.7481 -15.7481 -4.9481 -4.9481 -4.6378 -4.6378 6.3697 6.3697 7.9163 7.9163 8.6425 8.6425 9.6724 9.6724 10.6568 10.6568 11.4303 11.4303 16.2207 16.2207 17.2204 17.2204 18.7666 18.7666 19.2811 19.2811 k = 0.3816 0.2203 0.5909 ( 1260 PWs) bands (ev): -49.1641 -49.1641 -23.4773 -23.4773 -15.9428 -15.9428 -15.7481 -15.7481 -4.9446 -4.9446 -4.6358 -4.6358 6.3322 6.3322 7.9286 7.9286 8.6478 8.6478 9.6934 9.6934 10.6511 10.6511 11.4643 11.4643 16.2108 16.2108 17.2278 17.2278 18.7478 18.7478 19.2830 19.2830 k = 0.3783 0.2184 0.6016 ( 1260 PWs) bands (ev): -49.1640 -49.1640 -23.4776 -23.4776 -15.9448 -15.9448 -15.7479 -15.7479 -4.9421 -4.9421 -4.6339 -4.6339 6.2977 6.2977 7.9418 7.9418 8.6484 8.6484 9.7192 9.7192 10.6445 10.6445 11.4930 11.4930 16.2013 16.2013 17.2329 17.2329 18.7293 18.7293 19.2896 19.2896 k = 0.3750 0.2165 0.6124 ( 1260 PWs) bands (ev): -49.1640 -49.1640 -23.4778 -23.4778 -15.9466 -15.9466 -15.7473 -15.7473 -4.9403 -4.9403 -4.6323 -4.6323 6.2666 6.2666 7.9556 7.9556 8.6445 8.6445 9.7496 9.7496 10.6372 10.6372 11.5159 11.5159 16.1921 16.1921 17.2359 17.2359 18.7121 18.7121 19.2997 19.2997 k = 0.6250-0.0722 0.4082 ( 1260 PWs) bands (ev): -49.1640 -49.1640 -23.4778 -23.4778 -15.9466 -15.9466 -15.7473 -15.7473 -4.9403 -4.9403 -4.6323 -4.6323 6.2666 6.2666 7.9556 7.9556 8.6445 8.6445 9.7496 9.7496 10.6372 10.6372 11.5159 11.5159 16.1921 16.1921 17.2359 17.2359 18.7121 18.7121 19.2997 19.2997 k = 0.6193-0.0820 0.4082 ( 1260 PWs) bands (ev): -49.1639 -49.1639 -23.4782 -23.4782 -15.9498 -15.9498 -15.7457 -15.7457 -4.9381 -4.9381 -4.6299 -4.6299 6.2162 6.2162 7.9802 7.9802 8.6349 8.6349 9.8049 9.8049 10.6240 10.6240 11.5494 11.5494 16.1752 16.1752 17.2392 17.2392 18.6848 18.6848 19.3214 19.3214 k = 0.6136-0.0919 0.4082 ( 1260 PWs) bands (ev): -49.1639 -49.1639 -23.4785 -23.4785 -15.9531 -15.9531 -15.7438 -15.7438 -4.9366 -4.9366 -4.6274 -4.6274 6.1671 6.1671 8.0060 8.0060 8.6265 8.6265 9.8585 9.8585 10.6105 10.6105 11.5809 11.5809 16.1557 16.1557 17.2424 17.2424 18.6589 18.6589 19.3458 19.3458 k = 0.6080-0.1017 0.4082 ( 1260 PWs) bands (ev): -49.1638 -49.1638 -23.4788 -23.4788 -15.9563 -15.9563 -15.7417 -15.7417 -4.9356 -4.9356 -4.6250 -4.6250 6.1195 6.1195 8.0325 8.0325 8.6193 8.6193 9.9105 9.9105 10.5969 10.5969 11.6103 11.6103 16.1338 16.1338 17.2456 17.2456 18.6346 18.6346 19.3728 19.3728 k = 0.6023-0.1115 0.4082 ( 1260 PWs) bands (ev): -49.1638 -49.1638 -23.4790 -23.4790 -15.9596 -15.9596 -15.7394 -15.7394 -4.9352 -4.9352 -4.6225 -4.6225 6.0736 6.0736 8.0593 8.0593 8.6135 8.6135 9.9606 9.9606 10.5834 10.5834 11.6376 11.6376 16.1096 16.1096 17.2488 17.2488 18.6119 18.6119 19.4019 19.4019 k = 0.5966-0.1214 0.4082 ( 1260 PWs) bands (ev): -49.1638 -49.1638 -23.4792 -23.4792 -15.9628 -15.9628 -15.7369 -15.7369 -4.9353 -4.9353 -4.6200 -4.6200 6.0294 6.0294 8.0862 8.0862 8.6091 8.6091 10.0087 10.0087 10.5701 10.5701 11.6627 11.6627 16.0834 16.0834 17.2520 17.2520 18.5911 18.5911 19.4328 19.4328 k = 0.5909-0.1312 0.4082 ( 1260 PWs) bands (ev): -49.1637 -49.1637 -23.4794 -23.4794 -15.9659 -15.9659 -15.7342 -15.7342 -4.9358 -4.9358 -4.6175 -4.6175 5.9872 5.9872 8.1127 8.1127 8.6061 8.6061 10.0547 10.0547 10.5571 10.5571 11.6857 11.6857 16.0555 16.0555 17.2552 17.2552 18.5720 18.5720 19.4652 19.4652 k = 0.5852-0.1411 0.4082 ( 1256 PWs) bands (ev): -49.1637 -49.1637 -23.4794 -23.4794 -15.9690 -15.9690 -15.7315 -15.7315 -4.9368 -4.9368 -4.6151 -4.6151 5.9470 5.9470 8.1385 8.1385 8.6045 8.6045 10.0986 10.0986 10.5446 10.5446 11.7066 11.7066 16.0262 16.0262 17.2584 17.2584 18.5547 18.5547 19.4986 19.4986 k = 0.5795-0.1509 0.4082 ( 1260 PWs) bands (ev): -49.1637 -49.1637 -23.4796 -23.4796 -15.9720 -15.9720 -15.7288 -15.7288 -4.9380 -4.9380 -4.6126 -4.6126 5.9090 5.9090 8.1633 8.1633 8.6043 8.6043 10.1401 10.1401 10.5326 10.5326 11.7256 11.7256 15.9959 15.9959 17.2615 17.2615 18.5392 18.5392 19.5325 19.5325 k = 0.5739-0.1607 0.4082 ( 1264 PWs) bands (ev): -49.1637 -49.1637 -23.4798 -23.4798 -15.9749 -15.9749 -15.7261 -15.7261 -4.9396 -4.9396 -4.6102 -4.6102 5.8732 5.8732 8.1866 8.1866 8.6057 8.6057 10.1791 10.1791 10.5212 10.5212 11.7427 11.7427 15.9651 15.9651 17.2646 17.2646 18.5254 18.5254 19.5664 19.5664 k = 0.5682-0.1706 0.4082 ( 1264 PWs) bands (ev): -49.1637 -49.1637 -23.4799 -23.4799 -15.9777 -15.9777 -15.7234 -15.7234 -4.9413 -4.9413 -4.6078 -4.6078 5.8398 5.8398 8.2083 8.2083 8.6084 8.6084 10.2156 10.2156 10.5106 10.5106 11.7579 11.7579 15.9341 15.9341 17.2676 17.2676 18.5132 18.5132 19.5996 19.5996 k = 0.5625-0.1804 0.4082 ( 1268 PWs) bands (ev): -49.1637 -49.1637 -23.4801 -23.4801 -15.9803 -15.9803 -15.7208 -15.7208 -4.9432 -4.9432 -4.6055 -4.6055 5.8088 5.8088 8.2280 8.2280 8.6125 8.6125 10.2495 10.2495 10.5008 10.5008 11.7715 11.7715 15.9035 15.9035 17.2705 17.2705 18.5024 18.5024 19.6316 19.6316 k = 0.5568-0.1903 0.4082 ( 1264 PWs) bands (ev): -49.1637 -49.1637 -23.4800 -23.4800 -15.9827 -15.9827 -15.7182 -15.7182 -4.9452 -4.9452 -4.6033 -4.6033 5.7803 5.7803 8.2457 8.2457 8.6179 8.6179 10.2804 10.2804 10.4919 10.4919 11.7835 11.7835 15.8738 15.8738 17.2733 17.2733 18.4931 18.4931 19.6616 19.6616 k = 0.5511-0.2001 0.4082 ( 1264 PWs) bands (ev): -49.1637 -49.1637 -23.4801 -23.4801 -15.9849 -15.9849 -15.7158 -15.7158 -4.9472 -4.9472 -4.6013 -4.6013 5.7543 5.7543 8.2613 8.2613 8.6242 8.6242 10.3084 10.3084 10.4840 10.4840 11.7940 11.7940 15.8452 15.8452 17.2759 17.2759 18.4851 18.4851 19.6891 19.6891 k = 0.5455-0.2099 0.4082 ( 1264 PWs) bands (ev): -49.1636 -49.1636 -23.4801 -23.4801 -15.9869 -15.9869 -15.7136 -15.7136 -4.9492 -4.9492 -4.5993 -4.5993 5.7310 5.7310 8.2747 8.2747 8.6312 8.6312 10.3333 10.3333 10.4772 10.4772 11.8031 11.8031 15.8184 15.8184 17.2784 17.2784 18.4782 18.4782 19.7136 19.7136 k = 0.5398-0.2198 0.4082 ( 1264 PWs) bands (ev): -49.1636 -49.1636 -23.4802 -23.4802 -15.9888 -15.9888 -15.7116 -15.7116 -4.9511 -4.9511 -4.5975 -4.5975 5.7103 5.7103 8.2860 8.2860 8.6386 8.6386 10.3547 10.3547 10.4718 10.4718 11.8109 11.8109 15.7937 15.7937 17.2806 17.2806 18.4724 18.4724 19.7346 19.7346 k = 0.5341-0.2296 0.4082 ( 1264 PWs) bands (ev): -49.1636 -49.1636 -23.4802 -23.4802 -15.9904 -15.9904 -15.7098 -15.7098 -4.9529 -4.9529 -4.5960 -4.5960 5.6922 5.6922 8.2954 8.2954 8.6459 8.6459 10.3726 10.3726 10.4679 10.4679 11.8174 11.8174 15.7714 15.7714 17.2826 17.2826 18.4676 18.4676 19.7520 19.7520 k = 0.5284-0.2395 0.4082 ( 1264 PWs) bands (ev): -49.1636 -49.1636 -23.4802 -23.4802 -15.9917 -15.9917 -15.7082 -15.7082 -4.9544 -4.9544 -4.5946 -4.5946 5.6769 5.6769 8.3030 8.3030 8.6529 8.6529 10.3866 10.3866 10.4658 10.4658 11.8229 11.8229 15.7519 15.7519 17.2843 17.2843 18.4637 18.4637 19.7660 19.7660 k = 0.5227-0.2493 0.4082 ( 1264 PWs) bands (ev): -49.1636 -49.1636 -23.4802 -23.4802 -15.9928 -15.9928 -15.7069 -15.7069 -4.9558 -4.9558 -4.5934 -4.5934 5.6644 5.6644 8.3089 8.3089 8.6592 8.6592 10.3967 10.3967 10.4654 10.4654 11.8272 11.8272 15.7356 15.7356 17.2857 17.2857 18.4606 18.4606 19.7767 19.7767 k = 0.5170-0.2592 0.4082 ( 1274 PWs) bands (ev): -49.1637 -49.1637 -23.4804 -23.4804 -15.9939 -15.9939 -15.7061 -15.7061 -4.9568 -4.9568 -4.5925 -4.5925 5.6546 5.6546 8.3133 8.3133 8.6644 8.6644 10.4033 10.4033 10.4664 10.4664 11.8305 11.8305 15.7226 15.7226 17.2868 17.2868 18.4582 18.4582 19.7844 19.7844 k = 0.5114-0.2690 0.4082 ( 1270 PWs) bands (ev): -49.1637 -49.1637 -23.4803 -23.4803 -15.9944 -15.9944 -15.7053 -15.7053 -4.9576 -4.9576 -4.5919 -4.5919 5.6476 5.6476 8.3164 8.3164 8.6684 8.6684 10.4071 10.4071 10.4681 10.4681 11.8329 11.8329 15.7132 15.7132 17.2876 17.2876 18.4566 18.4566 19.7897 19.7897 k = 0.5057-0.2788 0.4082 ( 1266 PWs) bands (ev): -49.1637 -49.1637 -23.4803 -23.4803 -15.9947 -15.9947 -15.7048 -15.7048 -4.9581 -4.9581 -4.5915 -4.5915 5.6434 5.6434 8.3182 8.3182 8.6708 8.6708 10.4089 10.4089 10.4695 10.4695 11.8343 11.8343 15.7075 15.7075 17.2881 17.2881 18.4556 18.4556 19.7927 19.7927 k = 0.5000-0.2887 0.4082 ( 1266 PWs) bands (ev): -49.1637 -49.1637 -23.4803 -23.4803 -15.9949 -15.9949 -15.7047 -15.7047 -4.9583 -4.9583 -4.5913 -4.5913 5.6420 5.6420 8.3188 8.3188 8.6716 8.6716 10.4095 10.4095 10.4701 10.4701 11.8347 11.8347 15.7056 15.7056 17.2883 17.2883 18.4553 18.4553 19.7937 19.7937 Writing output data file HfO2.save init_run : 0.11s CPU 0.24s WALL ( 1 calls) electrons : 56.42s CPU 58.00s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 56.41s CPU 57.99s 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 : 0.02s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 409 calls) cegterg : 52.98s CPU 54.26s WALL ( 489 calls) Called by sum_band: Called by *egterg: h_psi : 20.70s CPU 21.16s WALL ( 8799 calls) s_psi : 0.88s CPU 0.88s WALL ( 8799 calls) g_psi : 0.06s CPU 0.06s WALL ( 7901 calls) cdiaghg : 30.03s CPU 30.86s WALL ( 8310 calls) cegterg:over : 1.54s CPU 1.67s WALL ( 7901 calls) cegterg:upda : 1.12s CPU 1.10s WALL ( 7901 calls) cegterg:last : 0.58s CPU 0.60s WALL ( 1307 calls) cdiaghg:chol : 1.44s CPU 1.49s WALL ( 8310 calls) cdiaghg:inve : 0.76s CPU 0.74s WALL ( 8310 calls) cdiaghg:para : 1.82s CPU 1.79s WALL ( 16620 calls) Called by h_psi: h_psi:vloc : 18.57s CPU 18.94s WALL ( 8799 calls) h_psi:vnl : 2.10s CPU 2.19s WALL ( 8799 calls) add_vuspsi : 1.12s CPU 1.14s WALL ( 8799 calls) General routines calbec : 0.95s CPU 1.03s WALL ( 8799 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 17.10s CPU 17.43s WALL ( 554416 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.09s WALL ( 818 calls) Parallel routines fft_scatter : 10.52s CPU 10.81s WALL ( 554439 calls) PWSCF : 1m 4.69s CPU 1m16.97s WALL This run was terminated on: 19:29:30 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=