Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:32:40 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: ./Sc2C.save/ file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 31 16 4 1697 608 94 Max 32 17 5 1706 624 105 Sum 1135 583 163 61239 22155 3613 bravais-lattice index = 14 lattice parameter (alat) = 6.4005 a.u. unit-cell volume = 449.3935 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 51.0000 Ry charge density cutoff = 402.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.400502 celldm(2)= 1.000000 celldm(3)= 1.979037 celldm(4)= 0.000000 celldm(5)= 0.000000 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) = ( 0.000000 0.000000 1.979037 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.505296 ) PseudoPot. # 1 for Sc read from file: /users/gautes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1173 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 C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 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 Sc 11.00 44.95590 Sc( 1.00) C 4.00 12.01070 C( 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 ) ( 0 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) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 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) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 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) = ( -1 -1 0 ) ( 0 1 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) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -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 ) ( 0 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) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 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) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -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) = ( 1 1 0 ) ( 0 -1 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) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 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= 375 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 2) = ( 0.0092593 0.0053458 -0.0000000), wk = 0.0026667 k( 3) = ( 0.0185185 0.0106917 -0.0000000), wk = 0.0026667 k( 4) = ( 0.0277778 0.0160375 -0.0000000), wk = 0.0026667 k( 5) = ( 0.0370370 0.0213833 -0.0000000), wk = 0.0026667 k( 6) = ( 0.0462963 0.0267292 -0.0000000), wk = 0.0026667 k( 7) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0026667 k( 8) = ( 0.0648148 0.0374208 -0.0000000), wk = 0.0026667 k( 9) = ( 0.0740741 0.0427667 -0.0000000), wk = 0.0026667 k( 10) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0026667 k( 11) = ( 0.0925926 0.0534584 -0.0000000), wk = 0.0026667 k( 12) = ( 0.1018518 0.0588042 -0.0000000), wk = 0.0026667 k( 13) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0026667 k( 14) = ( 0.1203704 0.0694959 -0.0000000), wk = 0.0026667 k( 15) = ( 0.1296296 0.0748417 -0.0000000), wk = 0.0026667 k( 16) = ( 0.1388889 0.0801875 -0.0000000), wk = 0.0026667 k( 17) = ( 0.1481482 0.0855334 -0.0000000), wk = 0.0026667 k( 18) = ( 0.1574074 0.0908792 -0.0000000), wk = 0.0026667 k( 19) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0026667 k( 20) = ( 0.1759259 0.1015709 -0.0000000), wk = 0.0026667 k( 21) = ( 0.1851852 0.1069167 -0.0000000), wk = 0.0026667 k( 22) = ( 0.1944444 0.1122625 -0.0000000), wk = 0.0026667 k( 23) = ( 0.2037037 0.1176084 -0.0000000), wk = 0.0026667 k( 24) = ( 0.2129630 0.1229542 -0.0000000), wk = 0.0026667 k( 25) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0026667 k( 26) = ( 0.2314815 0.1336459 -0.0000000), wk = 0.0026667 k( 27) = ( 0.2407407 0.1389917 -0.0000000), wk = 0.0026667 k( 28) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0026667 k( 29) = ( 0.2592593 0.1496834 -0.0000000), wk = 0.0026667 k( 30) = ( 0.2685185 0.1550292 -0.0000000), wk = 0.0026667 k( 31) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0026667 k( 32) = ( 0.2870370 0.1657209 -0.0000000), wk = 0.0026667 k( 33) = ( 0.2962963 0.1710667 -0.0000000), wk = 0.0026667 k( 34) = ( 0.3055556 0.1764126 -0.0000000), wk = 0.0026667 k( 35) = ( 0.3148148 0.1817584 -0.0000000), wk = 0.0026667 k( 36) = ( 0.3240741 0.1871043 -0.0000000), wk = 0.0026667 k( 37) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0026667 k( 38) = ( 0.3425926 0.1977959 -0.0000000), wk = 0.0026667 k( 39) = ( 0.3518519 0.2031418 -0.0000000), wk = 0.0026667 k( 40) = ( 0.3611111 0.2084876 -0.0000000), wk = 0.0026667 k( 41) = ( 0.3703704 0.2138334 -0.0000000), wk = 0.0026667 k( 42) = ( 0.3796296 0.2191793 -0.0000000), wk = 0.0026667 k( 43) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0026667 k( 44) = ( 0.3981481 0.2298709 -0.0000000), wk = 0.0026667 k( 45) = ( 0.4074074 0.2352168 -0.0000000), wk = 0.0026667 k( 46) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0026667 k( 47) = ( 0.4259259 0.2459085 -0.0000000), wk = 0.0026667 k( 48) = ( 0.4351852 0.2512543 -0.0000000), wk = 0.0026667 k( 49) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0026667 k( 50) = ( 0.4537037 0.2619460 -0.0000000), wk = 0.0026667 k( 51) = ( 0.4629630 0.2672918 -0.0000000), wk = 0.0026667 k( 52) = ( 0.4722222 0.2726376 -0.0000000), wk = 0.0026667 k( 53) = ( 0.4814815 0.2779835 -0.0000000), wk = 0.0026667 k( 54) = ( 0.4907407 0.2833293 -0.0000000), wk = 0.0026667 k( 55) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026667 k( 56) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026667 k( 57) = ( 0.4946237 0.2979872 -0.0000000), wk = 0.0026667 k( 58) = ( 0.4892473 0.3072993 -0.0000000), wk = 0.0026667 k( 59) = ( 0.4838710 0.3166114 -0.0000000), wk = 0.0026667 k( 60) = ( 0.4784946 0.3259235 -0.0000000), wk = 0.0026667 k( 61) = ( 0.4731183 0.3352356 -0.0000000), wk = 0.0026667 k( 62) = ( 0.4677419 0.3445477 -0.0000000), wk = 0.0026667 k( 63) = ( 0.4623656 0.3538598 -0.0000000), wk = 0.0026667 k( 64) = ( 0.4569893 0.3631720 -0.0000000), wk = 0.0026667 k( 65) = ( 0.4516129 0.3724840 -0.0000000), wk = 0.0026667 k( 66) = ( 0.4462366 0.3817961 -0.0000000), wk = 0.0026667 k( 67) = ( 0.4408602 0.3911082 -0.0000000), wk = 0.0026667 k( 68) = ( 0.4354839 0.4004203 -0.0000000), wk = 0.0026667 k( 69) = ( 0.4301075 0.4097325 -0.0000000), wk = 0.0026667 k( 70) = ( 0.4247312 0.4190445 -0.0000000), wk = 0.0026667 k( 71) = ( 0.4193548 0.4283566 -0.0000000), wk = 0.0026667 k( 72) = ( 0.4139785 0.4376687 -0.0000000), wk = 0.0026667 k( 73) = ( 0.4086021 0.4469809 -0.0000000), wk = 0.0026667 k( 74) = ( 0.4032258 0.4562930 -0.0000000), wk = 0.0026667 k( 75) = ( 0.3978495 0.4656051 -0.0000000), wk = 0.0026667 k( 76) = ( 0.3924731 0.4749172 -0.0000000), wk = 0.0026667 k( 77) = ( 0.3870968 0.4842293 -0.0000000), wk = 0.0026667 k( 78) = ( 0.3817204 0.4935414 -0.0000000), wk = 0.0026667 k( 79) = ( 0.3763441 0.5028535 -0.0000000), wk = 0.0026667 k( 80) = ( 0.3709677 0.5121656 -0.0000000), wk = 0.0026667 k( 81) = ( 0.3655914 0.5214777 -0.0000000), wk = 0.0026667 k( 82) = ( 0.3602150 0.5307898 -0.0000000), wk = 0.0026667 k( 83) = ( 0.3548387 0.5401019 -0.0000000), wk = 0.0026667 k( 84) = ( 0.3494624 0.5494140 -0.0000000), wk = 0.0026667 k( 85) = ( 0.3440860 0.5587261 -0.0000000), wk = 0.0026667 k( 86) = ( 0.3387097 0.5680382 -0.0000000), wk = 0.0026667 k( 87) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026667 k( 88) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026667 k( 89) = ( 0.3279570 0.5680382 -0.0000000), wk = 0.0026667 k( 90) = ( 0.3225807 0.5587261 -0.0000000), wk = 0.0026667 k( 91) = ( 0.3172043 0.5494140 -0.0000000), wk = 0.0026667 k( 92) = ( 0.3118280 0.5401019 -0.0000000), wk = 0.0026667 k( 93) = ( 0.3064516 0.5307898 -0.0000000), wk = 0.0026667 k( 94) = ( 0.3010753 0.5214777 -0.0000000), wk = 0.0026667 k( 95) = ( 0.2956989 0.5121656 -0.0000000), wk = 0.0026667 k( 96) = ( 0.2903226 0.5028535 -0.0000000), wk = 0.0026667 k( 97) = ( 0.2849462 0.4935414 -0.0000000), wk = 0.0026667 k( 98) = ( 0.2795699 0.4842293 -0.0000000), wk = 0.0026667 k( 99) = ( 0.2741936 0.4749172 -0.0000000), wk = 0.0026667 k( 100) = ( 0.2688172 0.4656050 -0.0000000), wk = 0.0026667 k( 101) = ( 0.2634409 0.4562930 -0.0000000), wk = 0.0026667 k( 102) = ( 0.2580645 0.4469809 -0.0000000), wk = 0.0026667 k( 103) = ( 0.2526882 0.4376687 -0.0000000), wk = 0.0026667 k( 104) = ( 0.2473118 0.4283567 -0.0000000), wk = 0.0026667 k( 105) = ( 0.2419355 0.4190445 -0.0000000), wk = 0.0026667 k( 106) = ( 0.2365591 0.4097324 -0.0000000), wk = 0.0026667 k( 107) = ( 0.2311828 0.4004204 -0.0000000), wk = 0.0026667 k( 108) = ( 0.2258064 0.3911082 -0.0000000), wk = 0.0026667 k( 109) = ( 0.2204301 0.3817962 -0.0000000), wk = 0.0026667 k( 110) = ( 0.2150538 0.3724840 -0.0000000), wk = 0.0026667 k( 111) = ( 0.2096774 0.3631719 -0.0000000), wk = 0.0026667 k( 112) = ( 0.2043011 0.3538599 -0.0000000), wk = 0.0026667 k( 113) = ( 0.1989247 0.3445477 -0.0000000), wk = 0.0026667 k( 114) = ( 0.1935484 0.3352356 -0.0000000), wk = 0.0026667 k( 115) = ( 0.1881720 0.3259235 -0.0000000), wk = 0.0026667 k( 116) = ( 0.1827957 0.3166114 -0.0000000), wk = 0.0026667 k( 117) = ( 0.1774194 0.3072993 -0.0000000), wk = 0.0026667 k( 118) = ( 0.1720430 0.2979872 -0.0000000), wk = 0.0026667 k( 119) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0026667 k( 120) = ( 0.1612903 0.2793630 -0.0000000), wk = 0.0026667 k( 121) = ( 0.1559140 0.2700509 -0.0000000), wk = 0.0026667 k( 122) = ( 0.1505376 0.2607388 -0.0000000), wk = 0.0026667 k( 123) = ( 0.1451613 0.2514267 -0.0000000), wk = 0.0026667 k( 124) = ( 0.1397849 0.2421146 -0.0000000), wk = 0.0026667 k( 125) = ( 0.1344086 0.2328025 -0.0000000), wk = 0.0026667 k( 126) = ( 0.1290323 0.2234904 -0.0000000), wk = 0.0026667 k( 127) = ( 0.1236559 0.2141783 -0.0000000), wk = 0.0026667 k( 128) = ( 0.1182796 0.2048662 -0.0000000), wk = 0.0026667 k( 129) = ( 0.1129032 0.1955541 -0.0000000), wk = 0.0026667 k( 130) = ( 0.1075269 0.1862420 -0.0000000), wk = 0.0026667 k( 131) = ( 0.1021505 0.1769299 -0.0000000), wk = 0.0026667 k( 132) = ( 0.0967742 0.1676178 -0.0000000), wk = 0.0026667 k( 133) = ( 0.0913979 0.1583057 -0.0000000), wk = 0.0026667 k( 134) = ( 0.0860215 0.1489936 -0.0000000), wk = 0.0026667 k( 135) = ( 0.0806452 0.1396815 -0.0000000), wk = 0.0026667 k( 136) = ( 0.0752688 0.1303694 -0.0000000), wk = 0.0026667 k( 137) = ( 0.0698925 0.1210573 -0.0000000), wk = 0.0026667 k( 138) = ( 0.0645161 0.1117452 -0.0000000), wk = 0.0026667 k( 139) = ( 0.0591398 0.1024331 -0.0000000), wk = 0.0026667 k( 140) = ( 0.0537634 0.0931210 -0.0000000), wk = 0.0026667 k( 141) = ( 0.0483871 0.0838089 -0.0000000), wk = 0.0026667 k( 142) = ( 0.0430108 0.0744968 -0.0000000), wk = 0.0026667 k( 143) = ( 0.0376344 0.0651847 -0.0000000), wk = 0.0026667 k( 144) = ( 0.0322581 0.0558726 -0.0000000), wk = 0.0026667 k( 145) = ( 0.0268817 0.0465605 -0.0000000), wk = 0.0026667 k( 146) = ( 0.0215054 0.0372484 -0.0000000), wk = 0.0026667 k( 147) = ( 0.0161290 0.0279363 -0.0000000), wk = 0.0026667 k( 148) = ( 0.0107527 0.0186242 -0.0000000), wk = 0.0026667 k( 149) = ( 0.0053763 0.0093121 -0.0000000), wk = 0.0026667 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 152) = ( 0.0000000 0.0000000 0.0105270), wk = 0.0026667 k( 153) = ( 0.0000000 0.0000000 0.0210540), wk = 0.0026667 k( 154) = ( 0.0000000 0.0000000 0.0315810), wk = 0.0026667 k( 155) = ( 0.0000000 0.0000000 0.0421080), wk = 0.0026667 k( 156) = ( 0.0000000 0.0000000 0.0526350), wk = 0.0026667 k( 157) = ( 0.0000000 0.0000000 0.0631620), wk = 0.0026667 k( 158) = ( 0.0000000 0.0000000 0.0736890), wk = 0.0026667 k( 159) = ( 0.0000000 0.0000000 0.0842160), wk = 0.0026667 k( 160) = ( 0.0000000 0.0000000 0.0947430), wk = 0.0026667 k( 161) = ( 0.0000000 0.0000000 0.1052700), wk = 0.0026667 k( 162) = ( 0.0000000 0.0000000 0.1157970), wk = 0.0026667 k( 163) = ( 0.0000000 0.0000000 0.1263240), wk = 0.0026667 k( 164) = ( 0.0000000 0.0000000 0.1368510), wk = 0.0026667 k( 165) = ( 0.0000000 0.0000000 0.1473780), wk = 0.0026667 k( 166) = ( 0.0000000 0.0000000 0.1579050), wk = 0.0026667 k( 167) = ( 0.0000000 0.0000000 0.1684320), wk = 0.0026667 k( 168) = ( 0.0000000 0.0000000 0.1789590), wk = 0.0026667 k( 169) = ( 0.0000000 0.0000000 0.1894861), wk = 0.0026667 k( 170) = ( 0.0000000 0.0000000 0.2000131), wk = 0.0026667 k( 171) = ( 0.0000000 0.0000000 0.2105401), wk = 0.0026667 k( 172) = ( 0.0000000 0.0000000 0.2210671), wk = 0.0026667 k( 173) = ( 0.0000000 0.0000000 0.2315941), wk = 0.0026667 k( 174) = ( 0.0000000 0.0000000 0.2421211), wk = 0.0026667 k( 175) = ( 0.0000000 0.0000000 0.2526481), wk = 0.0026667 k( 176) = ( 0.0000000 0.0000000 0.2526481), wk = 0.0026667 k( 177) = ( 0.0092593 0.0053458 0.2526481), wk = 0.0026667 k( 178) = ( 0.0185185 0.0106917 0.2526481), wk = 0.0026667 k( 179) = ( 0.0277778 0.0160375 0.2526481), wk = 0.0026667 k( 180) = ( 0.0370370 0.0213833 0.2526481), wk = 0.0026667 k( 181) = ( 0.0462963 0.0267292 0.2526481), wk = 0.0026667 k( 182) = ( 0.0555556 0.0320750 0.2526481), wk = 0.0026667 k( 183) = ( 0.0648148 0.0374208 0.2526481), wk = 0.0026667 k( 184) = ( 0.0740741 0.0427667 0.2526481), wk = 0.0026667 k( 185) = ( 0.0833333 0.0481125 0.2526481), wk = 0.0026667 k( 186) = ( 0.0925926 0.0534584 0.2526481), wk = 0.0026667 k( 187) = ( 0.1018518 0.0588042 0.2526481), wk = 0.0026667 k( 188) = ( 0.1111111 0.0641500 0.2526481), wk = 0.0026667 k( 189) = ( 0.1203704 0.0694959 0.2526481), wk = 0.0026667 k( 190) = ( 0.1296296 0.0748417 0.2526481), wk = 0.0026667 k( 191) = ( 0.1388889 0.0801875 0.2526481), wk = 0.0026667 k( 192) = ( 0.1481482 0.0855334 0.2526481), wk = 0.0026667 k( 193) = ( 0.1574074 0.0908792 0.2526481), wk = 0.0026667 k( 194) = ( 0.1666667 0.0962250 0.2526481), wk = 0.0026667 k( 195) = ( 0.1759259 0.1015709 0.2526481), wk = 0.0026667 k( 196) = ( 0.1851852 0.1069167 0.2526481), wk = 0.0026667 k( 197) = ( 0.1944444 0.1122625 0.2526481), wk = 0.0026667 k( 198) = ( 0.2037037 0.1176084 0.2526481), wk = 0.0026667 k( 199) = ( 0.2129630 0.1229542 0.2526481), wk = 0.0026667 k( 200) = ( 0.2222222 0.1283001 0.2526481), wk = 0.0026667 k( 201) = ( 0.2314815 0.1336459 0.2526481), wk = 0.0026667 k( 202) = ( 0.2407407 0.1389917 0.2526481), wk = 0.0026667 k( 203) = ( 0.2500000 0.1443376 0.2526481), wk = 0.0026667 k( 204) = ( 0.2592593 0.1496834 0.2526481), wk = 0.0026667 k( 205) = ( 0.2685185 0.1550292 0.2526481), wk = 0.0026667 k( 206) = ( 0.2777778 0.1603751 0.2526481), wk = 0.0026667 k( 207) = ( 0.2870370 0.1657209 0.2526481), wk = 0.0026667 k( 208) = ( 0.2962963 0.1710667 0.2526481), wk = 0.0026667 k( 209) = ( 0.3055556 0.1764126 0.2526481), wk = 0.0026667 k( 210) = ( 0.3148148 0.1817584 0.2526481), wk = 0.0026667 k( 211) = ( 0.3240741 0.1871043 0.2526481), wk = 0.0026667 k( 212) = ( 0.3333333 0.1924501 0.2526481), wk = 0.0026667 k( 213) = ( 0.3425926 0.1977959 0.2526481), wk = 0.0026667 k( 214) = ( 0.3518519 0.2031418 0.2526481), wk = 0.0026667 k( 215) = ( 0.3611111 0.2084876 0.2526481), wk = 0.0026667 k( 216) = ( 0.3703704 0.2138334 0.2526481), wk = 0.0026667 k( 217) = ( 0.3796296 0.2191793 0.2526481), wk = 0.0026667 k( 218) = ( 0.3888889 0.2245251 0.2526481), wk = 0.0026667 k( 219) = ( 0.3981481 0.2298709 0.2526481), wk = 0.0026667 k( 220) = ( 0.4074074 0.2352168 0.2526481), wk = 0.0026667 k( 221) = ( 0.4166667 0.2405626 0.2526481), wk = 0.0026667 k( 222) = ( 0.4259259 0.2459085 0.2526481), wk = 0.0026667 k( 223) = ( 0.4351852 0.2512543 0.2526481), wk = 0.0026667 k( 224) = ( 0.4444444 0.2566001 0.2526481), wk = 0.0026667 k( 225) = ( 0.4537037 0.2619460 0.2526481), wk = 0.0026667 k( 226) = ( 0.4629630 0.2672918 0.2526481), wk = 0.0026667 k( 227) = ( 0.4722222 0.2726376 0.2526481), wk = 0.0026667 k( 228) = ( 0.4814815 0.2779835 0.2526481), wk = 0.0026667 k( 229) = ( 0.4907407 0.2833293 0.2526481), wk = 0.0026667 k( 230) = ( 0.5000000 0.2886751 0.2526481), wk = 0.0026667 k( 231) = ( 0.5000000 0.2886751 0.2526481), wk = 0.0026667 k( 232) = ( 0.4946237 0.2979872 0.2526481), wk = 0.0026667 k( 233) = ( 0.4892473 0.3072993 0.2526481), wk = 0.0026667 k( 234) = ( 0.4838710 0.3166114 0.2526481), wk = 0.0026667 k( 235) = ( 0.4784946 0.3259235 0.2526481), wk = 0.0026667 k( 236) = ( 0.4731183 0.3352356 0.2526481), wk = 0.0026667 k( 237) = ( 0.4677419 0.3445477 0.2526481), wk = 0.0026667 k( 238) = ( 0.4623656 0.3538598 0.2526481), wk = 0.0026667 k( 239) = ( 0.4569893 0.3631720 0.2526481), wk = 0.0026667 k( 240) = ( 0.4516129 0.3724840 0.2526481), wk = 0.0026667 k( 241) = ( 0.4462366 0.3817961 0.2526481), wk = 0.0026667 k( 242) = ( 0.4408602 0.3911082 0.2526481), wk = 0.0026667 k( 243) = ( 0.4354839 0.4004203 0.2526481), wk = 0.0026667 k( 244) = ( 0.4301075 0.4097325 0.2526481), wk = 0.0026667 k( 245) = ( 0.4247312 0.4190445 0.2526481), wk = 0.0026667 k( 246) = ( 0.4193548 0.4283566 0.2526481), wk = 0.0026667 k( 247) = ( 0.4139785 0.4376687 0.2526481), wk = 0.0026667 k( 248) = ( 0.4086021 0.4469809 0.2526481), wk = 0.0026667 k( 249) = ( 0.4032258 0.4562930 0.2526481), wk = 0.0026667 k( 250) = ( 0.3978495 0.4656051 0.2526481), wk = 0.0026667 k( 251) = ( 0.3924731 0.4749172 0.2526481), wk = 0.0026667 k( 252) = ( 0.3870968 0.4842293 0.2526481), wk = 0.0026667 k( 253) = ( 0.3817204 0.4935414 0.2526481), wk = 0.0026667 k( 254) = ( 0.3763441 0.5028535 0.2526481), wk = 0.0026667 k( 255) = ( 0.3709677 0.5121656 0.2526481), wk = 0.0026667 k( 256) = ( 0.3655914 0.5214777 0.2526481), wk = 0.0026667 k( 257) = ( 0.3602150 0.5307898 0.2526481), wk = 0.0026667 k( 258) = ( 0.3548387 0.5401019 0.2526481), wk = 0.0026667 k( 259) = ( 0.3494624 0.5494140 0.2526481), wk = 0.0026667 k( 260) = ( 0.3440860 0.5587261 0.2526481), wk = 0.0026667 k( 261) = ( 0.3387097 0.5680382 0.2526481), wk = 0.0026667 k( 262) = ( 0.3333333 0.5773503 0.2526481), wk = 0.0026667 k( 263) = ( 0.3333333 0.5773503 0.2526481), wk = 0.0026667 k( 264) = ( 0.3279570 0.5680382 0.2526481), wk = 0.0026667 k( 265) = ( 0.3225807 0.5587261 0.2526481), wk = 0.0026667 k( 266) = ( 0.3172043 0.5494140 0.2526481), wk = 0.0026667 k( 267) = ( 0.3118280 0.5401019 0.2526481), wk = 0.0026667 k( 268) = ( 0.3064516 0.5307898 0.2526481), wk = 0.0026667 k( 269) = ( 0.3010753 0.5214777 0.2526481), wk = 0.0026667 k( 270) = ( 0.2956989 0.5121656 0.2526481), wk = 0.0026667 k( 271) = ( 0.2903226 0.5028535 0.2526481), wk = 0.0026667 k( 272) = ( 0.2849462 0.4935414 0.2526481), wk = 0.0026667 k( 273) = ( 0.2795699 0.4842293 0.2526481), wk = 0.0026667 k( 274) = ( 0.2741936 0.4749172 0.2526481), wk = 0.0026667 k( 275) = ( 0.2688172 0.4656050 0.2526481), wk = 0.0026667 k( 276) = ( 0.2634409 0.4562930 0.2526481), wk = 0.0026667 k( 277) = ( 0.2580645 0.4469809 0.2526481), wk = 0.0026667 k( 278) = ( 0.2526882 0.4376687 0.2526481), wk = 0.0026667 k( 279) = ( 0.2473118 0.4283567 0.2526481), wk = 0.0026667 k( 280) = ( 0.2419355 0.4190445 0.2526481), wk = 0.0026667 k( 281) = ( 0.2365591 0.4097324 0.2526481), wk = 0.0026667 k( 282) = ( 0.2311828 0.4004204 0.2526481), wk = 0.0026667 k( 283) = ( 0.2258064 0.3911082 0.2526481), wk = 0.0026667 k( 284) = ( 0.2204301 0.3817962 0.2526481), wk = 0.0026667 k( 285) = ( 0.2150538 0.3724840 0.2526481), wk = 0.0026667 k( 286) = ( 0.2096774 0.3631719 0.2526481), wk = 0.0026667 k( 287) = ( 0.2043011 0.3538599 0.2526481), wk = 0.0026667 k( 288) = ( 0.1989247 0.3445477 0.2526481), wk = 0.0026667 k( 289) = ( 0.1935484 0.3352356 0.2526481), wk = 0.0026667 k( 290) = ( 0.1881720 0.3259235 0.2526481), wk = 0.0026667 k( 291) = ( 0.1827957 0.3166114 0.2526481), wk = 0.0026667 k( 292) = ( 0.1774194 0.3072993 0.2526481), wk = 0.0026667 k( 293) = ( 0.1720430 0.2979872 0.2526481), wk = 0.0026667 k( 294) = ( 0.1666667 0.2886751 0.2526481), wk = 0.0026667 k( 295) = ( 0.1612903 0.2793630 0.2526481), wk = 0.0026667 k( 296) = ( 0.1559140 0.2700509 0.2526481), wk = 0.0026667 k( 297) = ( 0.1505376 0.2607388 0.2526481), wk = 0.0026667 k( 298) = ( 0.1451613 0.2514267 0.2526481), wk = 0.0026667 k( 299) = ( 0.1397849 0.2421146 0.2526481), wk = 0.0026667 k( 300) = ( 0.1344086 0.2328025 0.2526481), wk = 0.0026667 k( 301) = ( 0.1290323 0.2234904 0.2526481), wk = 0.0026667 k( 302) = ( 0.1236559 0.2141783 0.2526481), wk = 0.0026667 k( 303) = ( 0.1182796 0.2048662 0.2526481), wk = 0.0026667 k( 304) = ( 0.1129032 0.1955541 0.2526481), wk = 0.0026667 k( 305) = ( 0.1075269 0.1862420 0.2526481), wk = 0.0026667 k( 306) = ( 0.1021505 0.1769299 0.2526481), wk = 0.0026667 k( 307) = ( 0.0967742 0.1676178 0.2526481), wk = 0.0026667 k( 308) = ( 0.0913979 0.1583057 0.2526481), wk = 0.0026667 k( 309) = ( 0.0860215 0.1489936 0.2526481), wk = 0.0026667 k( 310) = ( 0.0806452 0.1396815 0.2526481), wk = 0.0026667 k( 311) = ( 0.0752688 0.1303694 0.2526481), wk = 0.0026667 k( 312) = ( 0.0698925 0.1210573 0.2526481), wk = 0.0026667 k( 313) = ( 0.0645161 0.1117452 0.2526481), wk = 0.0026667 k( 314) = ( 0.0591398 0.1024331 0.2526481), wk = 0.0026667 k( 315) = ( 0.0537634 0.0931210 0.2526481), wk = 0.0026667 k( 316) = ( 0.0483871 0.0838089 0.2526481), wk = 0.0026667 k( 317) = ( 0.0430108 0.0744968 0.2526481), wk = 0.0026667 k( 318) = ( 0.0376344 0.0651847 0.2526481), wk = 0.0026667 k( 319) = ( 0.0322581 0.0558726 0.2526481), wk = 0.0026667 k( 320) = ( 0.0268817 0.0465605 0.2526481), wk = 0.0026667 k( 321) = ( 0.0215054 0.0372484 0.2526481), wk = 0.0026667 k( 322) = ( 0.0161290 0.0279363 0.2526481), wk = 0.0026667 k( 323) = ( 0.0107527 0.0186242 0.2526481), wk = 0.0026667 k( 324) = ( 0.0053763 0.0093121 0.2526481), wk = 0.0026667 k( 325) = ( 0.0000000 0.0000000 0.2526481), wk = 0.0026667 k( 326) = ( 0.5000000 0.2886751 0.2526481), wk = 0.0026667 k( 327) = ( 0.5000000 0.2886751 0.2421211), wk = 0.0026667 k( 328) = ( 0.5000000 0.2886751 0.2315941), wk = 0.0026667 k( 329) = ( 0.5000000 0.2886751 0.2210671), wk = 0.0026667 k( 330) = ( 0.5000000 0.2886751 0.2105401), wk = 0.0026667 k( 331) = ( 0.5000000 0.2886751 0.2000131), wk = 0.0026667 k( 332) = ( 0.5000000 0.2886751 0.1894861), wk = 0.0026667 k( 333) = ( 0.5000000 0.2886751 0.1789590), wk = 0.0026667 k( 334) = ( 0.5000000 0.2886751 0.1684320), wk = 0.0026667 k( 335) = ( 0.5000000 0.2886751 0.1579050), wk = 0.0026667 k( 336) = ( 0.5000000 0.2886751 0.1473780), wk = 0.0026667 k( 337) = ( 0.5000000 0.2886751 0.1368510), wk = 0.0026667 k( 338) = ( 0.5000000 0.2886751 0.1263240), wk = 0.0026667 k( 339) = ( 0.5000000 0.2886751 0.1157970), wk = 0.0026667 k( 340) = ( 0.5000000 0.2886751 0.1052700), wk = 0.0026667 k( 341) = ( 0.5000000 0.2886751 0.0947430), wk = 0.0026667 k( 342) = ( 0.5000000 0.2886751 0.0842160), wk = 0.0026667 k( 343) = ( 0.5000000 0.2886751 0.0736890), wk = 0.0026667 k( 344) = ( 0.5000000 0.2886751 0.0631620), wk = 0.0026667 k( 345) = ( 0.5000000 0.2886751 0.0526350), wk = 0.0026667 k( 346) = ( 0.5000000 0.2886751 0.0421080), wk = 0.0026667 k( 347) = ( 0.5000000 0.2886751 0.0315810), wk = 0.0026667 k( 348) = ( 0.5000000 0.2886751 0.0210540), wk = 0.0026667 k( 349) = ( 0.5000000 0.2886751 0.0105270), wk = 0.0026667 k( 350) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026667 k( 351) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026667 k( 352) = ( 0.3333333 0.5773503 0.0105270), wk = 0.0026667 k( 353) = ( 0.3333333 0.5773503 0.0210540), wk = 0.0026667 k( 354) = ( 0.3333333 0.5773503 0.0315810), wk = 0.0026667 k( 355) = ( 0.3333333 0.5773503 0.0421080), wk = 0.0026667 k( 356) = ( 0.3333333 0.5773503 0.0526350), wk = 0.0026667 k( 357) = ( 0.3333333 0.5773503 0.0631620), wk = 0.0026667 k( 358) = ( 0.3333333 0.5773503 0.0736890), wk = 0.0026667 k( 359) = ( 0.3333333 0.5773503 0.0842160), wk = 0.0026667 k( 360) = ( 0.3333333 0.5773503 0.0947430), wk = 0.0026667 k( 361) = ( 0.3333333 0.5773503 0.1052700), wk = 0.0026667 k( 362) = ( 0.3333333 0.5773503 0.1157970), wk = 0.0026667 k( 363) = ( 0.3333333 0.5773503 0.1263240), wk = 0.0026667 k( 364) = ( 0.3333333 0.5773503 0.1368510), wk = 0.0026667 k( 365) = ( 0.3333333 0.5773503 0.1473780), wk = 0.0026667 k( 366) = ( 0.3333333 0.5773503 0.1579050), wk = 0.0026667 k( 367) = ( 0.3333333 0.5773503 0.1684320), wk = 0.0026667 k( 368) = ( 0.3333333 0.5773503 0.1789590), wk = 0.0026667 k( 369) = ( 0.3333333 0.5773503 0.1894861), wk = 0.0026667 k( 370) = ( 0.3333333 0.5773503 0.2000131), wk = 0.0026667 k( 371) = ( 0.3333333 0.5773503 0.2105401), wk = 0.0026667 k( 372) = ( 0.3333333 0.5773503 0.2210671), wk = 0.0026667 k( 373) = ( 0.3333333 0.5773503 0.2315941), wk = 0.0026667 k( 374) = ( 0.3333333 0.5773503 0.2421211), wk = 0.0026667 k( 375) = ( 0.3333333 0.5773503 0.2526481), wk = 0.0026667 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 2) = ( 0.0092593 0.0000000 0.0000000), wk = 0.0026667 k( 3) = ( 0.0185185 0.0000000 0.0000000), wk = 0.0026667 k( 4) = ( 0.0277778 -0.0000000 0.0000000), wk = 0.0026667 k( 5) = ( 0.0370370 0.0000000 0.0000000), wk = 0.0026667 k( 6) = ( 0.0462963 -0.0000000 0.0000000), wk = 0.0026667 k( 7) = ( 0.0555556 -0.0000000 0.0000000), wk = 0.0026667 k( 8) = ( 0.0648148 0.0000000 0.0000000), wk = 0.0026667 k( 9) = ( 0.0740741 0.0000000 0.0000000), wk = 0.0026667 k( 10) = ( 0.0833333 -0.0000000 0.0000000), wk = 0.0026667 k( 11) = ( 0.0925926 -0.0000000 0.0000000), wk = 0.0026667 k( 12) = ( 0.1018518 0.0000000 0.0000000), wk = 0.0026667 k( 13) = ( 0.1111111 -0.0000000 0.0000000), wk = 0.0026667 k( 14) = ( 0.1203704 0.0000000 0.0000000), wk = 0.0026667 k( 15) = ( 0.1296296 0.0000000 0.0000000), wk = 0.0026667 k( 16) = ( 0.1388889 0.0000000 0.0000000), wk = 0.0026667 k( 17) = ( 0.1481482 0.0000000 0.0000000), wk = 0.0026667 k( 18) = ( 0.1574074 0.0000000 0.0000000), wk = 0.0026667 k( 19) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0026667 k( 20) = ( 0.1759259 -0.0000000 0.0000000), wk = 0.0026667 k( 21) = ( 0.1851852 -0.0000000 0.0000000), wk = 0.0026667 k( 22) = ( 0.1944444 0.0000000 0.0000000), wk = 0.0026667 k( 23) = ( 0.2037037 0.0000000 0.0000000), wk = 0.0026667 k( 24) = ( 0.2129630 0.0000000 0.0000000), wk = 0.0026667 k( 25) = ( 0.2222222 -0.0000000 0.0000000), wk = 0.0026667 k( 26) = ( 0.2314815 0.0000000 0.0000000), wk = 0.0026667 k( 27) = ( 0.2407407 0.0000000 0.0000000), wk = 0.0026667 k( 28) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0026667 k( 29) = ( 0.2592593 0.0000000 0.0000000), wk = 0.0026667 k( 30) = ( 0.2685185 0.0000000 0.0000000), wk = 0.0026667 k( 31) = ( 0.2777778 0.0000000 0.0000000), wk = 0.0026667 k( 32) = ( 0.2870370 0.0000000 0.0000000), wk = 0.0026667 k( 33) = ( 0.2962963 0.0000000 0.0000000), wk = 0.0026667 k( 34) = ( 0.3055556 -0.0000000 0.0000000), wk = 0.0026667 k( 35) = ( 0.3148148 -0.0000000 0.0000000), wk = 0.0026667 k( 36) = ( 0.3240741 -0.0000000 0.0000000), wk = 0.0026667 k( 37) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0026667 k( 38) = ( 0.3425926 -0.0000000 0.0000000), wk = 0.0026667 k( 39) = ( 0.3518519 0.0000000 0.0000000), wk = 0.0026667 k( 40) = ( 0.3611111 -0.0000000 0.0000000), wk = 0.0026667 k( 41) = ( 0.3703704 -0.0000000 0.0000000), wk = 0.0026667 k( 42) = ( 0.3796296 0.0000000 0.0000000), wk = 0.0026667 k( 43) = ( 0.3888889 0.0000000 0.0000000), wk = 0.0026667 k( 44) = ( 0.3981481 0.0000000 0.0000000), wk = 0.0026667 k( 45) = ( 0.4074074 0.0000000 0.0000000), wk = 0.0026667 k( 46) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0026667 k( 47) = ( 0.4259259 0.0000000 0.0000000), wk = 0.0026667 k( 48) = ( 0.4351852 -0.0000000 0.0000000), wk = 0.0026667 k( 49) = ( 0.4444444 -0.0000000 0.0000000), wk = 0.0026667 k( 50) = ( 0.4537037 0.0000000 0.0000000), wk = 0.0026667 k( 51) = ( 0.4629630 0.0000000 0.0000000), wk = 0.0026667 k( 52) = ( 0.4722222 -0.0000000 0.0000000), wk = 0.0026667 k( 53) = ( 0.4814815 0.0000000 0.0000000), wk = 0.0026667 k( 54) = ( 0.4907407 -0.0000000 0.0000000), wk = 0.0026667 k( 55) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026667 k( 56) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026667 k( 57) = ( 0.4946237 0.0107527 0.0000000), wk = 0.0026667 k( 58) = ( 0.4892473 0.0215054 0.0000000), wk = 0.0026667 k( 59) = ( 0.4838710 0.0322581 0.0000000), wk = 0.0026667 k( 60) = ( 0.4784946 0.0430108 0.0000000), wk = 0.0026667 k( 61) = ( 0.4731183 0.0537634 0.0000000), wk = 0.0026667 k( 62) = ( 0.4677419 0.0645161 0.0000000), wk = 0.0026667 k( 63) = ( 0.4623656 0.0752688 0.0000000), wk = 0.0026667 k( 64) = ( 0.4569893 0.0860215 0.0000000), wk = 0.0026667 k( 65) = ( 0.4516129 0.0967742 0.0000000), wk = 0.0026667 k( 66) = ( 0.4462366 0.1075269 0.0000000), wk = 0.0026667 k( 67) = ( 0.4408602 0.1182796 0.0000000), wk = 0.0026667 k( 68) = ( 0.4354839 0.1290323 0.0000000), wk = 0.0026667 k( 69) = ( 0.4301075 0.1397849 0.0000000), wk = 0.0026667 k( 70) = ( 0.4247312 0.1505376 0.0000000), wk = 0.0026667 k( 71) = ( 0.4193548 0.1612903 -0.0000000), wk = 0.0026667 k( 72) = ( 0.4139785 0.1720430 0.0000000), wk = 0.0026667 k( 73) = ( 0.4086021 0.1827957 -0.0000000), wk = 0.0026667 k( 74) = ( 0.4032258 0.1935484 0.0000000), wk = 0.0026667 k( 75) = ( 0.3978495 0.2043011 0.0000000), wk = 0.0026667 k( 76) = ( 0.3924731 0.2150538 -0.0000000), wk = 0.0026667 k( 77) = ( 0.3870968 0.2258065 0.0000000), wk = 0.0026667 k( 78) = ( 0.3817204 0.2365591 0.0000000), wk = 0.0026667 k( 79) = ( 0.3763441 0.2473118 0.0000000), wk = 0.0026667 k( 80) = ( 0.3709677 0.2580645 0.0000000), wk = 0.0026667 k( 81) = ( 0.3655914 0.2688172 -0.0000000), wk = 0.0026667 k( 82) = ( 0.3602150 0.2795699 0.0000000), wk = 0.0026667 k( 83) = ( 0.3548387 0.2903226 -0.0000000), wk = 0.0026667 k( 84) = ( 0.3494624 0.3010753 -0.0000000), wk = 0.0026667 k( 85) = ( 0.3440860 0.3118280 0.0000000), wk = 0.0026667 k( 86) = ( 0.3387097 0.3225807 0.0000000), wk = 0.0026667 k( 87) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0026667 k( 88) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0026667 k( 89) = ( 0.3279570 0.3279570 0.0000000), wk = 0.0026667 k( 90) = ( 0.3225807 0.3225807 0.0000000), wk = 0.0026667 k( 91) = ( 0.3172043 0.3172043 -0.0000000), wk = 0.0026667 k( 92) = ( 0.3118280 0.3118280 0.0000000), wk = 0.0026667 k( 93) = ( 0.3064516 0.3064516 0.0000000), wk = 0.0026667 k( 94) = ( 0.3010753 0.3010753 0.0000000), wk = 0.0026667 k( 95) = ( 0.2956989 0.2956989 0.0000000), wk = 0.0026667 k( 96) = ( 0.2903226 0.2903226 -0.0000000), wk = 0.0026667 k( 97) = ( 0.2849462 0.2849462 0.0000000), wk = 0.0026667 k( 98) = ( 0.2795699 0.2795699 0.0000000), wk = 0.0026667 k( 99) = ( 0.2741936 0.2741936 0.0000000), wk = 0.0026667 k( 100) = ( 0.2688172 0.2688172 -0.0000000), wk = 0.0026667 k( 101) = ( 0.2634409 0.2634409 0.0000000), wk = 0.0026667 k( 102) = ( 0.2580645 0.2580645 0.0000000), wk = 0.0026667 k( 103) = ( 0.2526882 0.2526882 -0.0000000), wk = 0.0026667 k( 104) = ( 0.2473118 0.2473118 0.0000000), wk = 0.0026667 k( 105) = ( 0.2419355 0.2419355 -0.0000000), wk = 0.0026667 k( 106) = ( 0.2365591 0.2365591 0.0000000), wk = 0.0026667 k( 107) = ( 0.2311828 0.2311828 0.0000000), wk = 0.0026667 k( 108) = ( 0.2258064 0.2258064 0.0000000), wk = 0.0026667 k( 109) = ( 0.2204301 0.2204301 0.0000000), wk = 0.0026667 k( 110) = ( 0.2150538 0.2150538 0.0000000), wk = 0.0026667 k( 111) = ( 0.2096774 0.2096774 -0.0000000), wk = 0.0026667 k( 112) = ( 0.2043011 0.2043011 -0.0000000), wk = 0.0026667 k( 113) = ( 0.1989247 0.1989247 -0.0000000), wk = 0.0026667 k( 114) = ( 0.1935484 0.1935484 -0.0000000), wk = 0.0026667 k( 115) = ( 0.1881720 0.1881720 0.0000000), wk = 0.0026667 k( 116) = ( 0.1827957 0.1827957 -0.0000000), wk = 0.0026667 k( 117) = ( 0.1774194 0.1774194 0.0000000), wk = 0.0026667 k( 118) = ( 0.1720430 0.1720430 -0.0000000), wk = 0.0026667 k( 119) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0026667 k( 120) = ( 0.1612903 0.1612903 -0.0000000), wk = 0.0026667 k( 121) = ( 0.1559140 0.1559140 0.0000000), wk = 0.0026667 k( 122) = ( 0.1505376 0.1505376 -0.0000000), wk = 0.0026667 k( 123) = ( 0.1451613 0.1451613 -0.0000000), wk = 0.0026667 k( 124) = ( 0.1397849 0.1397849 0.0000000), wk = 0.0026667 k( 125) = ( 0.1344086 0.1344086 -0.0000000), wk = 0.0026667 k( 126) = ( 0.1290323 0.1290323 0.0000000), wk = 0.0026667 k( 127) = ( 0.1236559 0.1236559 -0.0000000), wk = 0.0026667 k( 128) = ( 0.1182796 0.1182796 0.0000000), wk = 0.0026667 k( 129) = ( 0.1129032 0.1129032 0.0000000), wk = 0.0026667 k( 130) = ( 0.1075269 0.1075269 0.0000000), wk = 0.0026667 k( 131) = ( 0.1021505 0.1021505 -0.0000000), wk = 0.0026667 k( 132) = ( 0.0967742 0.0967742 -0.0000000), wk = 0.0026667 k( 133) = ( 0.0913979 0.0913978 -0.0000000), wk = 0.0026667 k( 134) = ( 0.0860215 0.0860215 -0.0000000), wk = 0.0026667 k( 135) = ( 0.0806452 0.0806452 -0.0000000), wk = 0.0026667 k( 136) = ( 0.0752688 0.0752688 0.0000000), wk = 0.0026667 k( 137) = ( 0.0698925 0.0698925 0.0000000), wk = 0.0026667 k( 138) = ( 0.0645161 0.0645161 0.0000000), wk = 0.0026667 k( 139) = ( 0.0591398 0.0591398 0.0000000), wk = 0.0026667 k( 140) = ( 0.0537634 0.0537634 0.0000000), wk = 0.0026667 k( 141) = ( 0.0483871 0.0483871 0.0000000), wk = 0.0026667 k( 142) = ( 0.0430108 0.0430108 0.0000000), wk = 0.0026667 k( 143) = ( 0.0376344 0.0376344 0.0000000), wk = 0.0026667 k( 144) = ( 0.0322581 0.0322581 0.0000000), wk = 0.0026667 k( 145) = ( 0.0268817 0.0268817 0.0000000), wk = 0.0026667 k( 146) = ( 0.0215054 0.0215054 0.0000000), wk = 0.0026667 k( 147) = ( 0.0161290 0.0161290 0.0000000), wk = 0.0026667 k( 148) = ( 0.0107527 0.0107527 0.0000000), wk = 0.0026667 k( 149) = ( 0.0053763 0.0053763 0.0000000), wk = 0.0026667 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 152) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0026667 k( 153) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0026667 k( 154) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0026667 k( 155) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0026667 k( 156) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0026667 k( 157) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0026667 k( 158) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0026667 k( 159) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0026667 k( 160) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0026667 k( 161) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0026667 k( 162) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0026667 k( 163) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0026667 k( 164) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0026667 k( 165) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0026667 k( 166) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0026667 k( 167) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0026667 k( 168) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0026667 k( 169) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0026667 k( 170) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0026667 k( 171) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0026667 k( 172) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0026667 k( 173) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0026667 k( 174) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0026667 k( 175) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026667 k( 176) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026667 k( 177) = ( 0.0092593 0.0000000 0.5000000), wk = 0.0026667 k( 178) = ( 0.0185185 0.0000000 0.5000000), wk = 0.0026667 k( 179) = ( 0.0277778 -0.0000000 0.5000000), wk = 0.0026667 k( 180) = ( 0.0370370 0.0000000 0.5000000), wk = 0.0026667 k( 181) = ( 0.0462963 -0.0000000 0.5000000), wk = 0.0026667 k( 182) = ( 0.0555556 -0.0000000 0.5000000), wk = 0.0026667 k( 183) = ( 0.0648148 0.0000000 0.5000000), wk = 0.0026667 k( 184) = ( 0.0740741 0.0000000 0.5000000), wk = 0.0026667 k( 185) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0026667 k( 186) = ( 0.0925926 -0.0000000 0.5000000), wk = 0.0026667 k( 187) = ( 0.1018518 0.0000000 0.5000000), wk = 0.0026667 k( 188) = ( 0.1111111 -0.0000000 0.5000000), wk = 0.0026667 k( 189) = ( 0.1203704 0.0000000 0.5000000), wk = 0.0026667 k( 190) = ( 0.1296296 0.0000000 0.5000000), wk = 0.0026667 k( 191) = ( 0.1388889 0.0000000 0.5000000), wk = 0.0026667 k( 192) = ( 0.1481482 0.0000000 0.5000000), wk = 0.0026667 k( 193) = ( 0.1574074 0.0000000 0.5000000), wk = 0.0026667 k( 194) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0026667 k( 195) = ( 0.1759259 -0.0000000 0.5000000), wk = 0.0026667 k( 196) = ( 0.1851852 -0.0000000 0.5000000), wk = 0.0026667 k( 197) = ( 0.1944444 0.0000000 0.5000000), wk = 0.0026667 k( 198) = ( 0.2037037 0.0000000 0.5000000), wk = 0.0026667 k( 199) = ( 0.2129630 0.0000000 0.5000000), wk = 0.0026667 k( 200) = ( 0.2222222 -0.0000000 0.5000000), wk = 0.0026667 k( 201) = ( 0.2314815 0.0000000 0.5000000), wk = 0.0026667 k( 202) = ( 0.2407407 0.0000000 0.5000000), wk = 0.0026667 k( 203) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0026667 k( 204) = ( 0.2592593 0.0000000 0.5000000), wk = 0.0026667 k( 205) = ( 0.2685185 0.0000000 0.5000000), wk = 0.0026667 k( 206) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0026667 k( 207) = ( 0.2870370 0.0000000 0.5000000), wk = 0.0026667 k( 208) = ( 0.2962963 0.0000000 0.5000000), wk = 0.0026667 k( 209) = ( 0.3055556 -0.0000000 0.5000000), wk = 0.0026667 k( 210) = ( 0.3148148 -0.0000000 0.5000000), wk = 0.0026667 k( 211) = ( 0.3240741 -0.0000000 0.5000000), wk = 0.0026667 k( 212) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0026667 k( 213) = ( 0.3425926 -0.0000000 0.5000000), wk = 0.0026667 k( 214) = ( 0.3518519 0.0000000 0.5000000), wk = 0.0026667 k( 215) = ( 0.3611111 -0.0000000 0.5000000), wk = 0.0026667 k( 216) = ( 0.3703704 -0.0000000 0.5000000), wk = 0.0026667 k( 217) = ( 0.3796296 0.0000000 0.5000000), wk = 0.0026667 k( 218) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0026667 k( 219) = ( 0.3981481 0.0000000 0.5000000), wk = 0.0026667 k( 220) = ( 0.4074074 0.0000000 0.5000000), wk = 0.0026667 k( 221) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0026667 k( 222) = ( 0.4259259 0.0000000 0.5000000), wk = 0.0026667 k( 223) = ( 0.4351852 -0.0000000 0.5000000), wk = 0.0026667 k( 224) = ( 0.4444444 -0.0000000 0.5000000), wk = 0.0026667 k( 225) = ( 0.4537037 0.0000000 0.5000000), wk = 0.0026667 k( 226) = ( 0.4629630 0.0000000 0.5000000), wk = 0.0026667 k( 227) = ( 0.4722222 -0.0000000 0.5000000), wk = 0.0026667 k( 228) = ( 0.4814815 0.0000000 0.5000000), wk = 0.0026667 k( 229) = ( 0.4907407 -0.0000000 0.5000000), wk = 0.0026667 k( 230) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026667 k( 231) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026667 k( 232) = ( 0.4946237 0.0107527 0.5000000), wk = 0.0026667 k( 233) = ( 0.4892473 0.0215054 0.5000000), wk = 0.0026667 k( 234) = ( 0.4838710 0.0322581 0.5000000), wk = 0.0026667 k( 235) = ( 0.4784946 0.0430108 0.5000000), wk = 0.0026667 k( 236) = ( 0.4731183 0.0537634 0.5000000), wk = 0.0026667 k( 237) = ( 0.4677419 0.0645161 0.5000000), wk = 0.0026667 k( 238) = ( 0.4623656 0.0752688 0.5000000), wk = 0.0026667 k( 239) = ( 0.4569893 0.0860215 0.5000000), wk = 0.0026667 k( 240) = ( 0.4516129 0.0967742 0.5000000), wk = 0.0026667 k( 241) = ( 0.4462366 0.1075269 0.5000000), wk = 0.0026667 k( 242) = ( 0.4408602 0.1182796 0.5000000), wk = 0.0026667 k( 243) = ( 0.4354839 0.1290323 0.5000000), wk = 0.0026667 k( 244) = ( 0.4301075 0.1397849 0.5000000), wk = 0.0026667 k( 245) = ( 0.4247312 0.1505376 0.5000000), wk = 0.0026667 k( 246) = ( 0.4193548 0.1612903 0.5000000), wk = 0.0026667 k( 247) = ( 0.4139785 0.1720430 0.5000000), wk = 0.0026667 k( 248) = ( 0.4086021 0.1827957 0.5000000), wk = 0.0026667 k( 249) = ( 0.4032258 0.1935484 0.5000000), wk = 0.0026667 k( 250) = ( 0.3978495 0.2043011 0.5000000), wk = 0.0026667 k( 251) = ( 0.3924731 0.2150538 0.5000000), wk = 0.0026667 k( 252) = ( 0.3870968 0.2258065 0.5000000), wk = 0.0026667 k( 253) = ( 0.3817204 0.2365591 0.5000000), wk = 0.0026667 k( 254) = ( 0.3763441 0.2473118 0.5000000), wk = 0.0026667 k( 255) = ( 0.3709677 0.2580645 0.5000000), wk = 0.0026667 k( 256) = ( 0.3655914 0.2688172 0.5000000), wk = 0.0026667 k( 257) = ( 0.3602150 0.2795699 0.5000000), wk = 0.0026667 k( 258) = ( 0.3548387 0.2903226 0.5000000), wk = 0.0026667 k( 259) = ( 0.3494624 0.3010753 0.5000000), wk = 0.0026667 k( 260) = ( 0.3440860 0.3118280 0.5000000), wk = 0.0026667 k( 261) = ( 0.3387097 0.3225807 0.5000000), wk = 0.0026667 k( 262) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026667 k( 263) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026667 k( 264) = ( 0.3279570 0.3279570 0.5000000), wk = 0.0026667 k( 265) = ( 0.3225807 0.3225807 0.5000000), wk = 0.0026667 k( 266) = ( 0.3172043 0.3172043 0.5000000), wk = 0.0026667 k( 267) = ( 0.3118280 0.3118280 0.5000000), wk = 0.0026667 k( 268) = ( 0.3064516 0.3064516 0.5000000), wk = 0.0026667 k( 269) = ( 0.3010753 0.3010753 0.5000000), wk = 0.0026667 k( 270) = ( 0.2956989 0.2956989 0.5000000), wk = 0.0026667 k( 271) = ( 0.2903226 0.2903226 0.5000000), wk = 0.0026667 k( 272) = ( 0.2849462 0.2849462 0.5000000), wk = 0.0026667 k( 273) = ( 0.2795699 0.2795699 0.5000000), wk = 0.0026667 k( 274) = ( 0.2741936 0.2741936 0.5000000), wk = 0.0026667 k( 275) = ( 0.2688172 0.2688172 0.5000000), wk = 0.0026667 k( 276) = ( 0.2634409 0.2634409 0.5000000), wk = 0.0026667 k( 277) = ( 0.2580645 0.2580645 0.5000000), wk = 0.0026667 k( 278) = ( 0.2526882 0.2526882 0.5000000), wk = 0.0026667 k( 279) = ( 0.2473118 0.2473118 0.5000000), wk = 0.0026667 k( 280) = ( 0.2419355 0.2419355 0.5000000), wk = 0.0026667 k( 281) = ( 0.2365591 0.2365591 0.5000000), wk = 0.0026667 k( 282) = ( 0.2311828 0.2311828 0.5000000), wk = 0.0026667 k( 283) = ( 0.2258064 0.2258064 0.5000000), wk = 0.0026667 k( 284) = ( 0.2204301 0.2204301 0.5000000), wk = 0.0026667 k( 285) = ( 0.2150538 0.2150538 0.5000000), wk = 0.0026667 k( 286) = ( 0.2096774 0.2096774 0.5000000), wk = 0.0026667 k( 287) = ( 0.2043011 0.2043011 0.5000000), wk = 0.0026667 k( 288) = ( 0.1989247 0.1989247 0.5000000), wk = 0.0026667 k( 289) = ( 0.1935484 0.1935484 0.5000000), wk = 0.0026667 k( 290) = ( 0.1881720 0.1881720 0.5000000), wk = 0.0026667 k( 291) = ( 0.1827957 0.1827957 0.5000000), wk = 0.0026667 k( 292) = ( 0.1774194 0.1774194 0.5000000), wk = 0.0026667 k( 293) = ( 0.1720430 0.1720430 0.5000000), wk = 0.0026667 k( 294) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0026667 k( 295) = ( 0.1612903 0.1612903 0.5000000), wk = 0.0026667 k( 296) = ( 0.1559140 0.1559140 0.5000000), wk = 0.0026667 k( 297) = ( 0.1505376 0.1505376 0.5000000), wk = 0.0026667 k( 298) = ( 0.1451613 0.1451613 0.5000000), wk = 0.0026667 k( 299) = ( 0.1397849 0.1397849 0.5000000), wk = 0.0026667 k( 300) = ( 0.1344086 0.1344086 0.5000000), wk = 0.0026667 k( 301) = ( 0.1290323 0.1290323 0.5000000), wk = 0.0026667 k( 302) = ( 0.1236559 0.1236559 0.5000000), wk = 0.0026667 k( 303) = ( 0.1182796 0.1182796 0.5000000), wk = 0.0026667 k( 304) = ( 0.1129032 0.1129032 0.5000000), wk = 0.0026667 k( 305) = ( 0.1075269 0.1075269 0.5000000), wk = 0.0026667 k( 306) = ( 0.1021505 0.1021505 0.5000000), wk = 0.0026667 k( 307) = ( 0.0967742 0.0967742 0.5000000), wk = 0.0026667 k( 308) = ( 0.0913979 0.0913978 0.5000000), wk = 0.0026667 k( 309) = ( 0.0860215 0.0860215 0.5000000), wk = 0.0026667 k( 310) = ( 0.0806452 0.0806452 0.5000000), wk = 0.0026667 k( 311) = ( 0.0752688 0.0752688 0.5000000), wk = 0.0026667 k( 312) = ( 0.0698925 0.0698925 0.5000000), wk = 0.0026667 k( 313) = ( 0.0645161 0.0645161 0.5000000), wk = 0.0026667 k( 314) = ( 0.0591398 0.0591398 0.5000000), wk = 0.0026667 k( 315) = ( 0.0537634 0.0537634 0.5000000), wk = 0.0026667 k( 316) = ( 0.0483871 0.0483871 0.5000000), wk = 0.0026667 k( 317) = ( 0.0430108 0.0430108 0.5000000), wk = 0.0026667 k( 318) = ( 0.0376344 0.0376344 0.5000000), wk = 0.0026667 k( 319) = ( 0.0322581 0.0322581 0.5000000), wk = 0.0026667 k( 320) = ( 0.0268817 0.0268817 0.5000000), wk = 0.0026667 k( 321) = ( 0.0215054 0.0215054 0.5000000), wk = 0.0026667 k( 322) = ( 0.0161290 0.0161290 0.5000000), wk = 0.0026667 k( 323) = ( 0.0107527 0.0107527 0.5000000), wk = 0.0026667 k( 324) = ( 0.0053763 0.0053763 0.5000000), wk = 0.0026667 k( 325) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026667 k( 326) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026667 k( 327) = ( 0.5000000 0.0000000 0.4791667), wk = 0.0026667 k( 328) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0026667 k( 329) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0026667 k( 330) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0026667 k( 331) = ( 0.5000000 0.0000000 0.3958333), wk = 0.0026667 k( 332) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0026667 k( 333) = ( 0.5000000 0.0000000 0.3541667), wk = 0.0026667 k( 334) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0026667 k( 335) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0026667 k( 336) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0026667 k( 337) = ( 0.5000000 0.0000000 0.2708333), wk = 0.0026667 k( 338) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0026667 k( 339) = ( 0.5000000 0.0000000 0.2291667), wk = 0.0026667 k( 340) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0026667 k( 341) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0026667 k( 342) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0026667 k( 343) = ( 0.5000000 0.0000000 0.1458333), wk = 0.0026667 k( 344) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0026667 k( 345) = ( 0.5000000 0.0000000 0.1041667), wk = 0.0026667 k( 346) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0026667 k( 347) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0026667 k( 348) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0026667 k( 349) = ( 0.5000000 0.0000000 0.0208333), wk = 0.0026667 k( 350) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0026667 k( 351) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0026667 k( 352) = ( 0.3333333 0.3333333 0.0208333), wk = 0.0026667 k( 353) = ( 0.3333333 0.3333333 0.0416667), wk = 0.0026667 k( 354) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0026667 k( 355) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0026667 k( 356) = ( 0.3333333 0.3333333 0.1041667), wk = 0.0026667 k( 357) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0026667 k( 358) = ( 0.3333333 0.3333333 0.1458333), wk = 0.0026667 k( 359) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0026667 k( 360) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0026667 k( 361) = ( 0.3333333 0.3333333 0.2083333), wk = 0.0026667 k( 362) = ( 0.3333333 0.3333333 0.2291667), wk = 0.0026667 k( 363) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0026667 k( 364) = ( 0.3333333 0.3333333 0.2708333), wk = 0.0026667 k( 365) = ( 0.3333333 0.3333333 0.2916667), wk = 0.0026667 k( 366) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0026667 k( 367) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0026667 k( 368) = ( 0.3333333 0.3333333 0.3541667), wk = 0.0026667 k( 369) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0026667 k( 370) = ( 0.3333333 0.3333333 0.3958333), wk = 0.0026667 k( 371) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0026667 k( 372) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0026667 k( 373) = ( 0.3333333 0.3333333 0.4583333), wk = 0.0026667 k( 374) = ( 0.3333333 0.3333333 0.4791667), wk = 0.0026667 k( 375) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026667 Dense grid: 61239 G-vectors FFT dimensions: ( 45, 45, 81) Smooth grid: 22155 G-vectors FFT dimensions: ( 30, 30, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 156, 34) NL pseudopotentials 0.10 Mb ( 78, 82) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.01 Mb ( 1699) G-vector shells 0.01 Mb ( 822) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.32 Mb ( 156, 136) Each subspace H/S matrix 0.02 Mb ( 34, 34) Each matrix 0.09 Mb ( 82, 2, 34) Check: negative/imaginary core charge= -0.000010 0.000000 The potential is recalculated from file : ./Sc2C.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 4.0 secs Computing kpt #: 3 total cpu time spent up to now is 4.7 secs Computing kpt #: 4 total cpu time spent up to now is 5.2 secs Computing kpt #: 5 total cpu time spent up to now is 5.6 secs Computing kpt #: 6 total cpu time spent up to now is 6.0 secs Computing kpt #: 7 total cpu time spent up to now is 6.3 secs Computing kpt #: 8 total cpu time spent up to now is 6.7 secs Computing kpt #: 9 total cpu time spent up to now is 7.0 secs Computing kpt #: 10 total cpu time spent up to now is 7.2 secs Computing kpt #: 11 total cpu time spent up to now is 7.5 secs Computing kpt #: 12 total cpu time spent up to now is 7.8 secs Computing kpt #: 13 total cpu time spent up to now is 8.1 secs Computing kpt #: 14 total cpu time spent up to now is 8.3 secs Computing kpt #: 15 total cpu time spent up to now is 8.6 secs Computing kpt #: 16 total cpu time spent up to now is 8.9 secs Computing kpt #: 17 total cpu time spent up to now is 9.1 secs Computing kpt #: 18 total cpu time spent up to now is 9.4 secs Computing kpt #: 19 total cpu time spent up to now is 9.6 secs Computing kpt #: 20 total cpu time spent up to now is 9.9 secs Computing kpt #: 21 total cpu time spent up to now is 10.2 secs Computing kpt #: 22 total cpu time spent up to now is 10.4 secs Computing kpt #: 23 total cpu time spent up to now is 10.7 secs Computing kpt #: 24 total cpu time spent up to now is 11.0 secs Computing kpt #: 25 total cpu time spent up to now is 11.2 secs Computing kpt #: 26 total cpu time spent up to now is 11.5 secs Computing kpt #: 27 total cpu time spent up to now is 11.8 secs Computing kpt #: 28 total cpu time spent up to now is 12.0 secs Computing kpt #: 29 total cpu time spent up to now is 12.3 secs Computing kpt #: 30 total cpu time spent up to now is 12.6 secs Computing kpt #: 31 total cpu time spent up to now is 12.8 secs Computing kpt #: 32 total cpu time spent up to now is 13.1 secs Computing kpt #: 33 total cpu time spent up to now is 13.4 secs Computing kpt #: 34 total cpu time spent up to now is 13.6 secs Computing kpt #: 35 total cpu time spent up to now is 13.9 secs Computing kpt #: 36 total cpu time spent up to now is 14.2 secs Computing kpt #: 37 total cpu time spent up to now is 14.4 secs Computing kpt #: 38 total cpu time spent up to now is 14.7 secs Computing kpt #: 39 total cpu time spent up to now is 15.0 secs Computing kpt #: 40 total cpu time spent up to now is 15.3 secs Computing kpt #: 41 total cpu time spent up to now is 15.5 secs Computing kpt #: 42 total cpu time spent up to now is 15.8 secs Computing kpt #: 43 total cpu time spent up to now is 16.1 secs Computing kpt #: 44 total cpu time spent up to now is 16.4 secs Computing kpt #: 45 total cpu time spent up to now is 16.7 secs Computing kpt #: 46 total cpu time spent up to now is 17.0 secs Computing kpt #: 47 total cpu time spent up to now is 17.4 secs Computing kpt #: 48 total cpu time spent up to now is 17.7 secs Computing kpt #: 49 total cpu time spent up to now is 18.0 secs Computing kpt #: 50 total cpu time spent up to now is 18.5 secs Computing kpt #: 51 total cpu time spent up to now is 18.9 secs Computing kpt #: 52 total cpu time spent up to now is 19.4 secs Computing kpt #: 53 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 20.2 secs Computing kpt #: 54 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 21.1 secs Computing kpt #: 55 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 21.9 secs Computing kpt #: 56 total cpu time spent up to now is 22.6 secs Computing kpt #: 57 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 23.5 secs Computing kpt #: 58 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 24.3 secs Computing kpt #: 59 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 25.1 secs Computing kpt #: 60 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 26.0 secs Computing kpt #: 61 total cpu time spent up to now is 26.7 secs Computing kpt #: 62 total cpu time spent up to now is 27.1 secs Computing kpt #: 63 total cpu time spent up to now is 27.5 secs Computing kpt #: 64 total cpu time spent up to now is 27.9 secs Computing kpt #: 65 total cpu time spent up to now is 28.2 secs Computing kpt #: 66 total cpu time spent up to now is 28.6 secs Computing kpt #: 67 total cpu time spent up to now is 28.9 secs Computing kpt #: 68 total cpu time spent up to now is 29.1 secs Computing kpt #: 69 total cpu time spent up to now is 29.4 secs Computing kpt #: 70 total cpu time spent up to now is 29.7 secs Computing kpt #: 71 total cpu time spent up to now is 30.0 secs Computing kpt #: 72 total cpu time spent up to now is 30.3 secs Computing kpt #: 73 total cpu time spent up to now is 30.6 secs Computing kpt #: 74 total cpu time spent up to now is 30.9 secs Computing kpt #: 75 total cpu time spent up to now is 31.1 secs Computing kpt #: 76 total cpu time spent up to now is 31.4 secs Computing kpt #: 77 total cpu time spent up to now is 31.7 secs Computing kpt #: 78 total cpu time spent up to now is 32.0 secs Computing kpt #: 79 total cpu time spent up to now is 32.3 secs Computing kpt #: 80 total cpu time spent up to now is 32.6 secs Computing kpt #: 81 total cpu time spent up to now is 32.9 secs Computing kpt #: 82 total cpu time spent up to now is 33.2 secs Computing kpt #: 83 total cpu time spent up to now is 33.6 secs Computing kpt #: 84 total cpu time spent up to now is 33.9 secs Computing kpt #: 85 total cpu time spent up to now is 34.3 secs Computing kpt #: 86 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 35.1 secs Computing kpt #: 87 total cpu time spent up to now is 35.5 secs Computing kpt #: 88 total cpu time spent up to now is 35.8 secs Computing kpt #: 89 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 36.5 secs Computing kpt #: 90 total cpu time spent up to now is 36.9 secs Computing kpt #: 91 total cpu time spent up to now is 37.3 secs Computing kpt #: 92 total cpu time spent up to now is 37.6 secs Computing kpt #: 93 total cpu time spent up to now is 37.9 secs Computing kpt #: 94 total cpu time spent up to now is 38.2 secs Computing kpt #: 95 total cpu time spent up to now is 38.6 secs Computing kpt #: 96 total cpu time spent up to now is 38.9 secs Computing kpt #: 97 total cpu time spent up to now is 39.3 secs Computing kpt #: 98 total cpu time spent up to now is 39.6 secs Computing kpt #: 99 total cpu time spent up to now is 39.9 secs Computing kpt #: 100 total cpu time spent up to now is 40.3 secs Computing kpt #: 101 total cpu time spent up to now is 40.6 secs Computing kpt #: 102 total cpu time spent up to now is 40.9 secs Computing kpt #: 103 total cpu time spent up to now is 41.2 secs Computing kpt #: 104 total cpu time spent up to now is 41.5 secs Computing kpt #: 105 total cpu time spent up to now is 41.8 secs Computing kpt #: 106 total cpu time spent up to now is 42.2 secs Computing kpt #: 107 total cpu time spent up to now is 42.5 secs Computing kpt #: 108 total cpu time spent up to now is 42.8 secs Computing kpt #: 109 total cpu time spent up to now is 43.1 secs Computing kpt #: 110 total cpu time spent up to now is 43.4 secs Computing kpt #: 111 total cpu time spent up to now is 43.7 secs Computing kpt #: 112 total cpu time spent up to now is 43.9 secs Computing kpt #: 113 total cpu time spent up to now is 44.2 secs Computing kpt #: 114 total cpu time spent up to now is 44.5 secs Computing kpt #: 115 total cpu time spent up to now is 44.8 secs Computing kpt #: 116 total cpu time spent up to now is 45.0 secs Computing kpt #: 117 total cpu time spent up to now is 45.3 secs Computing kpt #: 118 total cpu time spent up to now is 45.6 secs Computing kpt #: 119 total cpu time spent up to now is 45.9 secs Computing kpt #: 120 total cpu time spent up to now is 46.1 secs Computing kpt #: 121 total cpu time spent up to now is 46.4 secs Computing kpt #: 122 total cpu time spent up to now is 46.7 secs Computing kpt #: 123 total cpu time spent up to now is 47.0 secs Computing kpt #: 124 total cpu time spent up to now is 47.2 secs Computing kpt #: 125 total cpu time spent up to now is 47.5 secs Computing kpt #: 126 total cpu time spent up to now is 47.8 secs Computing kpt #: 127 total cpu time spent up to now is 48.1 secs Computing kpt #: 128 total cpu time spent up to now is 48.3 secs Computing kpt #: 129 total cpu time spent up to now is 48.6 secs Computing kpt #: 130 total cpu time spent up to now is 48.9 secs Computing kpt #: 131 total cpu time spent up to now is 49.1 secs Computing kpt #: 132 total cpu time spent up to now is 49.4 secs Computing kpt #: 133 total cpu time spent up to now is 49.6 secs Computing kpt #: 134 total cpu time spent up to now is 49.9 secs Computing kpt #: 135 total cpu time spent up to now is 50.1 secs Computing kpt #: 136 total cpu time spent up to now is 50.4 secs Computing kpt #: 137 total cpu time spent up to now is 50.7 secs Computing kpt #: 138 total cpu time spent up to now is 50.9 secs Computing kpt #: 139 total cpu time spent up to now is 51.2 secs Computing kpt #: 140 total cpu time spent up to now is 51.5 secs Computing kpt #: 141 total cpu time spent up to now is 51.8 secs Computing kpt #: 142 total cpu time spent up to now is 52.1 secs Computing kpt #: 143 total cpu time spent up to now is 52.4 secs Computing kpt #: 144 total cpu time spent up to now is 52.7 secs Computing kpt #: 145 total cpu time spent up to now is 53.1 secs Computing kpt #: 146 total cpu time spent up to now is 53.5 secs Computing kpt #: 147 total cpu time spent up to now is 53.9 secs Computing kpt #: 148 total cpu time spent up to now is 54.6 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 55.3 secs Computing kpt #: 150 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 56.1 secs Computing kpt #: 151 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 56.9 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 57.6 secs Computing kpt #: 153 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 58.4 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 59.2 secs Computing kpt #: 155 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 60.0 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 60.7 secs Computing kpt #: 157 total cpu time spent up to now is 61.4 secs Computing kpt #: 158 total cpu time spent up to now is 62.1 secs Computing kpt #: 159 total cpu time spent up to now is 62.8 secs Computing kpt #: 160 total cpu time spent up to now is 63.3 secs Computing kpt #: 161 total cpu time spent up to now is 63.9 secs Computing kpt #: 162 total cpu time spent up to now is 64.5 secs Computing kpt #: 163 total cpu time spent up to now is 65.0 secs Computing kpt #: 164 total cpu time spent up to now is 65.6 secs Computing kpt #: 165 total cpu time spent up to now is 66.1 secs Computing kpt #: 166 total cpu time spent up to now is 66.6 secs Computing kpt #: 167 total cpu time spent up to now is 67.1 secs Computing kpt #: 168 total cpu time spent up to now is 67.6 secs Computing kpt #: 169 total cpu time spent up to now is 68.1 secs Computing kpt #: 170 total cpu time spent up to now is 68.5 secs Computing kpt #: 171 total cpu time spent up to now is 69.0 secs Computing kpt #: 172 total cpu time spent up to now is 69.4 secs Computing kpt #: 173 total cpu time spent up to now is 70.0 secs Computing kpt #: 174 total cpu time spent up to now is 70.4 secs Computing kpt #: 175 total cpu time spent up to now is 70.9 secs Computing kpt #: 176 total cpu time spent up to now is 71.4 secs Computing kpt #: 177 total cpu time spent up to now is 71.8 secs Computing kpt #: 178 total cpu time spent up to now is 72.2 secs Computing kpt #: 179 total cpu time spent up to now is 72.7 secs Computing kpt #: 180 total cpu time spent up to now is 73.1 secs Computing kpt #: 181 total cpu time spent up to now is 73.6 secs Computing kpt #: 182 total cpu time spent up to now is 74.2 secs Computing kpt #: 183 total cpu time spent up to now is 74.8 secs Computing kpt #: 184 total cpu time spent up to now is 75.5 secs Computing kpt #: 185 total cpu time spent up to now is 76.1 secs Computing kpt #: 186 total cpu time spent up to now is 76.6 secs Computing kpt #: 187 total cpu time spent up to now is 77.1 secs Computing kpt #: 188 total cpu time spent up to now is 77.5 secs Computing kpt #: 189 total cpu time spent up to now is 78.0 secs Computing kpt #: 190 total cpu time spent up to now is 78.4 secs Computing kpt #: 191 total cpu time spent up to now is 78.7 secs Computing kpt #: 192 total cpu time spent up to now is 79.1 secs Computing kpt #: 193 total cpu time spent up to now is 79.5 secs Computing kpt #: 194 total cpu time spent up to now is 79.8 secs Computing kpt #: 195 total cpu time spent up to now is 80.2 secs Computing kpt #: 196 total cpu time spent up to now is 80.5 secs Computing kpt #: 197 total cpu time spent up to now is 80.8 secs Computing kpt #: 198 total cpu time spent up to now is 81.1 secs Computing kpt #: 199 total cpu time spent up to now is 81.5 secs Computing kpt #: 200 total cpu time spent up to now is 81.8 secs Computing kpt #: 201 total cpu time spent up to now is 82.1 secs Computing kpt #: 202 total cpu time spent up to now is 82.4 secs Computing kpt #: 203 total cpu time spent up to now is 82.7 secs Computing kpt #: 204 total cpu time spent up to now is 83.0 secs Computing kpt #: 205 total cpu time spent up to now is 83.4 secs Computing kpt #: 206 total cpu time spent up to now is 83.7 secs Computing kpt #: 207 total cpu time spent up to now is 84.0 secs Computing kpt #: 208 total cpu time spent up to now is 84.3 secs Computing kpt #: 209 total cpu time spent up to now is 84.6 secs Computing kpt #: 210 total cpu time spent up to now is 84.9 secs Computing kpt #: 211 total cpu time spent up to now is 85.2 secs Computing kpt #: 212 total cpu time spent up to now is 85.5 secs Computing kpt #: 213 total cpu time spent up to now is 85.8 secs Computing kpt #: 214 total cpu time spent up to now is 86.1 secs Computing kpt #: 215 total cpu time spent up to now is 86.4 secs Computing kpt #: 216 total cpu time spent up to now is 86.8 secs Computing kpt #: 217 total cpu time spent up to now is 87.1 secs Computing kpt #: 218 total cpu time spent up to now is 87.4 secs Computing kpt #: 219 total cpu time spent up to now is 87.7 secs Computing kpt #: 220 total cpu time spent up to now is 88.0 secs Computing kpt #: 221 total cpu time spent up to now is 88.2 secs Computing kpt #: 222 total cpu time spent up to now is 88.5 secs Computing kpt #: 223 total cpu time spent up to now is 88.8 secs Computing kpt #: 224 total cpu time spent up to now is 89.2 secs Computing kpt #: 225 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 90.0 secs Computing kpt #: 226 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 90.8 secs Computing kpt #: 227 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 91.6 secs Computing kpt #: 228 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 92.5 secs Computing kpt #: 229 total cpu time spent up to now is 93.1 secs Computing kpt #: 230 total cpu time spent up to now is 93.6 secs Computing kpt #: 231 total cpu time spent up to now is 94.1 secs Computing kpt #: 232 total cpu time spent up to now is 94.6 secs Computing kpt #: 233 total cpu time spent up to now is 95.1 secs Computing kpt #: 234 total cpu time spent up to now is 95.5 secs Computing kpt #: 235 total cpu time spent up to now is 96.0 secs Computing kpt #: 236 total cpu time spent up to now is 96.4 secs Computing kpt #: 237 total cpu time spent up to now is 96.7 secs Computing kpt #: 238 total cpu time spent up to now is 97.1 secs Computing kpt #: 239 total cpu time spent up to now is 97.4 secs Computing kpt #: 240 total cpu time spent up to now is 97.7 secs Computing kpt #: 241 total cpu time spent up to now is 98.0 secs Computing kpt #: 242 total cpu time spent up to now is 98.4 secs Computing kpt #: 243 total cpu time spent up to now is 98.8 secs Computing kpt #: 244 total cpu time spent up to now is 99.1 secs Computing kpt #: 245 total cpu time spent up to now is 99.4 secs Computing kpt #: 246 total cpu time spent up to now is 99.8 secs Computing kpt #: 247 total cpu time spent up to now is 100.1 secs Computing kpt #: 248 total cpu time spent up to now is 100.5 secs Computing kpt #: 249 total cpu time spent up to now is 100.8 secs Computing kpt #: 250 total cpu time spent up to now is 101.2 secs Computing kpt #: 251 total cpu time spent up to now is 101.6 secs Computing kpt #: 252 total cpu time spent up to now is 102.0 secs Computing kpt #: 253 total cpu time spent up to now is 102.5 secs Computing kpt #: 254 total cpu time spent up to now is 103.0 secs Computing kpt #: 255 total cpu time spent up to now is 103.6 secs Computing kpt #: 256 total cpu time spent up to now is 104.1 secs Computing kpt #: 257 total cpu time spent up to now is 104.6 secs Computing kpt #: 258 total cpu time spent up to now is 105.2 secs Computing kpt #: 259 total cpu time spent up to now is 105.7 secs Computing kpt #: 260 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 106.5 secs Computing kpt #: 261 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 107.3 secs Computing kpt #: 262 total cpu time spent up to now is 107.6 secs Computing kpt #: 263 total cpu time spent up to now is 107.9 secs Computing kpt #: 264 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 108.7 secs Computing kpt #: 265 total cpu time spent up to now is 109.3 secs Computing kpt #: 266 total cpu time spent up to now is 110.0 secs Computing kpt #: 267 total cpu time spent up to now is 110.6 secs Computing kpt #: 268 total cpu time spent up to now is 111.2 secs Computing kpt #: 269 total cpu time spent up to now is 111.6 secs Computing kpt #: 270 total cpu time spent up to now is 112.1 secs Computing kpt #: 271 total cpu time spent up to now is 112.7 secs Computing kpt #: 272 total cpu time spent up to now is 113.1 secs Computing kpt #: 273 total cpu time spent up to now is 113.7 secs Computing kpt #: 274 total cpu time spent up to now is 114.2 secs Computing kpt #: 275 total cpu time spent up to now is 114.6 secs Computing kpt #: 276 total cpu time spent up to now is 115.0 secs Computing kpt #: 277 total cpu time spent up to now is 115.5 secs Computing kpt #: 278 total cpu time spent up to now is 115.9 secs Computing kpt #: 279 total cpu time spent up to now is 116.2 secs Computing kpt #: 280 total cpu time spent up to now is 116.6 secs Computing kpt #: 281 total cpu time spent up to now is 116.9 secs Computing kpt #: 282 total cpu time spent up to now is 117.3 secs Computing kpt #: 283 total cpu time spent up to now is 117.6 secs Computing kpt #: 284 total cpu time spent up to now is 117.9 secs Computing kpt #: 285 total cpu time spent up to now is 118.3 secs Computing kpt #: 286 total cpu time spent up to now is 118.7 secs Computing kpt #: 287 total cpu time spent up to now is 119.0 secs Computing kpt #: 288 total cpu time spent up to now is 119.3 secs Computing kpt #: 289 total cpu time spent up to now is 119.7 secs Computing kpt #: 290 total cpu time spent up to now is 120.1 secs Computing kpt #: 291 total cpu time spent up to now is 120.4 secs Computing kpt #: 292 total cpu time spent up to now is 120.8 secs Computing kpt #: 293 total cpu time spent up to now is 121.1 secs Computing kpt #: 294 total cpu time spent up to now is 121.4 secs Computing kpt #: 295 total cpu time spent up to now is 121.8 secs Computing kpt #: 296 total cpu time spent up to now is 122.2 secs Computing kpt #: 297 total cpu time spent up to now is 122.6 secs Computing kpt #: 298 total cpu time spent up to now is 122.9 secs Computing kpt #: 299 total cpu time spent up to now is 123.3 secs Computing kpt #: 300 total cpu time spent up to now is 123.7 secs Computing kpt #: 301 total cpu time spent up to now is 124.1 secs Computing kpt #: 302 total cpu time spent up to now is 124.5 secs Computing kpt #: 303 total cpu time spent up to now is 125.0 secs Computing kpt #: 304 total cpu time spent up to now is 125.4 secs Computing kpt #: 305 total cpu time spent up to now is 125.9 secs Computing kpt #: 306 total cpu time spent up to now is 126.2 secs Computing kpt #: 307 total cpu time spent up to now is 126.6 secs Computing kpt #: 308 total cpu time spent up to now is 127.0 secs Computing kpt #: 309 total cpu time spent up to now is 127.3 secs Computing kpt #: 310 total cpu time spent up to now is 127.7 secs Computing kpt #: 311 total cpu time spent up to now is 128.1 secs Computing kpt #: 312 total cpu time spent up to now is 128.5 secs Computing kpt #: 313 total cpu time spent up to now is 129.0 secs Computing kpt #: 314 total cpu time spent up to now is 129.5 secs Computing kpt #: 315 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 130.3 secs Computing kpt #: 316 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 131.1 secs Computing kpt #: 317 total cpu time spent up to now is 131.9 secs Computing kpt #: 318 total cpu time spent up to now is 132.5 secs Computing kpt #: 319 total cpu time spent up to now is 133.0 secs Computing kpt #: 320 total cpu time spent up to now is 133.5 secs Computing kpt #: 321 total cpu time spent up to now is 134.0 secs Computing kpt #: 322 total cpu time spent up to now is 134.5 secs Computing kpt #: 323 total cpu time spent up to now is 134.9 secs Computing kpt #: 324 total cpu time spent up to now is 135.3 secs Computing kpt #: 325 total cpu time spent up to now is 135.8 secs Computing kpt #: 326 total cpu time spent up to now is 136.2 secs Computing kpt #: 327 total cpu time spent up to now is 136.8 secs Computing kpt #: 328 total cpu time spent up to now is 137.5 secs Computing kpt #: 329 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 138.3 secs Computing kpt #: 330 total cpu time spent up to now is 139.0 secs Computing kpt #: 331 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 139.9 secs Computing kpt #: 332 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 140.7 secs Computing kpt #: 333 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 141.5 secs Computing kpt #: 334 total cpu time spent up to now is 142.2 secs Computing kpt #: 335 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 143.0 secs Computing kpt #: 336 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 143.9 secs Computing kpt #: 337 total cpu time spent up to now is 144.7 secs Computing kpt #: 338 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 145.5 secs Computing kpt #: 339 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 146.4 secs Computing kpt #: 340 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 147.2 secs Computing kpt #: 341 total cpu time spent up to now is 147.9 secs Computing kpt #: 342 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 148.7 secs Computing kpt #: 343 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 149.6 secs Computing kpt #: 344 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 150.4 secs Computing kpt #: 345 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 151.2 secs Computing kpt #: 346 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 152.0 secs Computing kpt #: 347 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 152.8 secs Computing kpt #: 348 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 153.7 secs Computing kpt #: 349 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 154.5 secs Computing kpt #: 350 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 155.3 secs Computing kpt #: 351 total cpu time spent up to now is 155.6 secs Computing kpt #: 352 total cpu time spent up to now is 156.0 secs Computing kpt #: 353 total cpu time spent up to now is 156.3 secs Computing kpt #: 354 total cpu time spent up to now is 156.7 secs Computing kpt #: 355 total cpu time spent up to now is 157.0 secs Computing kpt #: 356 total cpu time spent up to now is 157.3 secs Computing kpt #: 357 total cpu time spent up to now is 157.7 secs Computing kpt #: 358 total cpu time spent up to now is 158.0 secs Computing kpt #: 359 total cpu time spent up to now is 158.3 secs Computing kpt #: 360 total cpu time spent up to now is 158.6 secs Computing kpt #: 361 total cpu time spent up to now is 158.9 secs Computing kpt #: 362 total cpu time spent up to now is 159.2 secs Computing kpt #: 363 total cpu time spent up to now is 159.5 secs Computing kpt #: 364 total cpu time spent up to now is 160.2 secs Computing kpt #: 365 total cpu time spent up to now is 160.4 secs Computing kpt #: 366 total cpu time spent up to now is 160.7 secs Computing kpt #: 367 total cpu time spent up to now is 161.0 secs Computing kpt #: 368 total cpu time spent up to now is 161.3 secs Computing kpt #: 369 total cpu time spent up to now is 161.6 secs Computing kpt #: 370 total cpu time spent up to now is 161.9 secs Computing kpt #: 371 total cpu time spent up to now is 162.2 secs Computing kpt #: 372 total cpu time spent up to now is 162.4 secs Computing kpt #: 373 total cpu time spent up to now is 162.7 secs Computing kpt #: 374 total cpu time spent up to now is 163.0 secs Computing kpt #: 375 total cpu time spent up to now is 163.3 secs ethr = 3.85E-08, avg # of iterations = 51.5 total cpu time spent up to now is 163.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2759 PWs) bands (ev): -42.0626 -42.0626 -42.0006 -42.0006 -21.0798 -21.0798 -20.8772 -20.8772 -20.5718 -20.5718 -20.3926 -20.3926 -20.3856 -20.3856 -20.3377 -20.3377 -2.7878 -2.7878 3.3218 3.3218 5.3751 5.3751 5.6009 5.6009 5.6014 5.6014 8.8386 8.8386 8.8495 8.8495 8.9217 8.9217 9.8332 9.8332 k = 0.0093 0.0053-0.0000 ( 2767 PWs) bands (ev): -42.0626 -42.0626 -42.0006 -42.0006 -21.0798 -21.0798 -20.8774 -20.8774 -20.5718 -20.5718 -20.3931 -20.3931 -20.3853 -20.3853 -20.3378 -20.3378 -2.7870 -2.7870 3.3233 3.3233 5.3686 5.3686 5.6012 5.6012 5.6069 5.6069 8.8373 8.8373 8.8489 8.8489 8.9218 8.9218 9.8116 9.8117 k = 0.0185 0.0107-0.0000 ( 2767 PWs) bands (ev): -42.0625 -42.0625 -42.0006 -42.0006 -21.0797 -21.0797 -20.8777 -20.8777 -20.5720 -20.5720 -20.3945 -20.3945 -20.3845 -20.3845 -20.3382 -20.3382 -2.7845 -2.7845 3.3280 3.3280 5.3505 5.3505 5.6019 5.6019 5.6229 5.6229 8.8311 8.8311 8.8496 8.8496 8.9221 8.9221 9.7729 9.7729 k = 0.0278 0.0160-0.0000 ( 2767 PWs) bands (ev): -42.0623 -42.0623 -42.0005 -42.0005 -21.0797 -21.0797 -20.8782 -20.8782 -20.5722 -20.5722 -20.3963 -20.3963 -20.3836 -20.3836 -20.3388 -20.3388 -2.7805 -2.7805 3.3357 3.3357 5.3243 5.3243 5.6030 5.6030 5.6455 5.6455 8.8182 8.8182 8.8533 8.8533 8.9228 8.9228 9.7289 9.7289 k = 0.0370 0.0214-0.0000 ( 2771 PWs) bands (ev): -42.0621 -42.0621 -42.0004 -42.0004 -21.0796 -21.0796 -20.8790 -20.8790 -20.5726 -20.5726 -20.3985 -20.3985 -20.3828 -20.3828 -20.3397 -20.3397 -2.7748 -2.7748 3.3465 3.3465 5.2929 5.2929 5.6045 5.6045 5.6721 5.6721 8.7995 8.7995 8.8594 8.8594 8.9239 8.9239 9.6811 9.6811 k = 0.0463 0.0267-0.0000 ( 2771 PWs) bands (ev): -42.0618 -42.0618 -42.0003 -42.0003 -21.0795 -21.0795 -20.8800 -20.8800 -20.5730 -20.5730 -20.4009 -20.4009 -20.3820 -20.3820 -20.3408 -20.3408 -2.7675 -2.7675 3.3604 3.3604 5.2579 5.2579 5.6064 5.6064 5.7011 5.7011 8.7759 8.7759 8.8675 8.8675 8.9254 8.9254 9.6301 9.6301 k = 0.0556 0.0321-0.0000 ( 2765 PWs) bands (ev): -42.0614 -42.0614 -42.0002 -42.0002 -21.0794 -21.0794 -20.8812 -20.8812 -20.5735 -20.5735 -20.4035 -20.4035 -20.3814 -20.3814 -20.3420 -20.3420 -2.7586 -2.7586 3.3773 3.3773 5.2204 5.2204 5.6087 5.6087 5.7312 5.7312 8.7478 8.7478 8.8774 8.8774 8.9273 8.9273 9.5763 9.5763 k = 0.0648 0.0374-0.0000 ( 2769 PWs) bands (ev): -42.0610 -42.0610 -42.0001 -42.0001 -21.0793 -21.0793 -20.8826 -20.8826 -20.5741 -20.5741 -20.4063 -20.4063 -20.3810 -20.3810 -20.3434 -20.3434 -2.7482 -2.7482 3.3971 3.3971 5.1811 5.1811 5.6114 5.6114 5.7621 5.7621 8.7157 8.7157 8.8891 8.8891 8.9297 8.9297 9.5201 9.5201 k = 0.0741 0.0428-0.0000 ( 2769 PWs) bands (ev): -42.0605 -42.0605 -41.9999 -41.9999 -21.0791 -21.0791 -20.8842 -20.8842 -20.5748 -20.5748 -20.4093 -20.4093 -20.3807 -20.3807 -20.3451 -20.3451 -2.7363 -2.7363 3.4199 3.4199 5.1404 5.1404 5.6142 5.6142 5.7934 5.7934 8.6800 8.6800 8.9023 8.9023 8.9327 8.9327 9.4621 9.4621 k = 0.0833 0.0481-0.0000 ( 2769 PWs) bands (ev): -42.0599 -42.0599 -41.9998 -41.9998 -21.0790 -21.0790 -20.8860 -20.8860 -20.5756 -20.5756 -20.4125 -20.4125 -20.3807 -20.3807 -20.3468 -20.3468 -2.7229 -2.7229 3.4455 3.4455 5.0985 5.0985 5.6174 5.6174 5.8250 5.8250 8.6412 8.6412 8.9167 8.9167 8.9366 8.9366 9.4028 9.4028 k = 0.0926 0.0535-0.0000 ( 2771 PWs) bands (ev): -42.0593 -42.0593 -41.9996 -41.9996 -21.0789 -21.0789 -20.8881 -20.8881 -20.5764 -20.5764 -20.4158 -20.4158 -20.3809 -20.3809 -20.3487 -20.3487 -2.7081 -2.7081 3.4739 3.4739 5.0557 5.0557 5.6209 5.6209 5.8568 5.8568 8.5995 8.5995 8.9305 8.9305 8.9429 8.9429 9.3428 9.3428 k = 0.1019 0.0588-0.0000 ( 2771 PWs) bands (ev): -42.0586 -42.0586 -41.9993 -41.9993 -21.0787 -21.0787 -20.8903 -20.8903 -20.5773 -20.5773 -20.4193 -20.4193 -20.3814 -20.3814 -20.3506 -20.3506 -2.6919 -2.6919 3.5049 3.5049 5.0121 5.0121 5.6246 5.6246 5.8887 5.8887 8.5553 8.5553 8.9392 8.9392 8.9563 8.9563 9.2827 9.2827 k = 0.1111 0.0642-0.0000 ( 2767 PWs) bands (ev): -42.0578 -42.0578 -41.9991 -41.9991 -21.0785 -21.0785 -20.8928 -20.8928 -20.5783 -20.5783 -20.4229 -20.4229 -20.3822 -20.3822 -20.3525 -20.3525 -2.6743 -2.6743 3.5386 3.5386 4.9680 4.9680 5.6285 5.6285 5.9208 5.9208 8.5088 8.5088 8.9446 8.9446 8.9747 8.9747 9.2229 9.2229 k = 0.1204 0.0695-0.0000 ( 2771 PWs) bands (ev): -42.0570 -42.0570 -41.9989 -41.9989 -21.0784 -21.0784 -20.8955 -20.8955 -20.5793 -20.5793 -20.4266 -20.4266 -20.3833 -20.3833 -20.3545 -20.3545 -2.6556 -2.6556 3.5748 3.5748 4.9234 4.9234 5.6325 5.6325 5.9531 5.9531 8.4603 8.4603 8.9494 8.9494 8.9951 8.9951 9.1643 9.1643 k = 0.1296 0.0748-0.0000 ( 2771 PWs) bands (ev): -42.0562 -42.0562 -41.9986 -41.9986 -21.0782 -21.0782 -20.8983 -20.8983 -20.5804 -20.5804 -20.4305 -20.4305 -20.3847 -20.3847 -20.3564 -20.3564 -2.6356 -2.6356 3.6133 3.6133 4.8784 4.8784 5.6365 5.6365 5.9856 5.9856 8.4101 8.4101 8.9535 8.9535 9.0168 9.0168 9.1080 9.1080 k = 0.1389 0.0802-0.0000 ( 2771 PWs) bands (ev): -42.0552 -42.0552 -41.9984 -41.9984 -21.0781 -21.0781 -20.9014 -20.9014 -20.5815 -20.5815 -20.4344 -20.4344 -20.3864 -20.3864 -20.3582 -20.3582 -2.6145 -2.6145 3.6540 3.6540 4.8334 4.8334 5.6405 5.6405 6.0183 6.0183 8.3583 8.3583 8.9547 8.9547 9.0373 9.0373 9.0590 9.0590 k = 0.1481 0.0855-0.0000 ( 2771 PWs) bands (ev): -42.0543 -42.0543 -41.9981 -41.9981 -21.0779 -21.0779 -20.9046 -20.9046 -20.5827 -20.5827 -20.4385 -20.4385 -20.3884 -20.3884 -20.3599 -20.3599 -2.5923 -2.5923 3.6968 3.6968 4.7884 4.7884 5.6445 5.6445 6.0514 6.0514 8.3051 8.3051 8.9444 8.9444 9.0161 9.0161 9.0667 9.0667 k = 0.1574 0.0909-0.0000 ( 2771 PWs) bands (ev): -42.0533 -42.0533 -41.9978 -41.9978 -21.0778 -21.0778 -20.9080 -20.9080 -20.5839 -20.5839 -20.4427 -20.4427 -20.3908 -20.3908 -20.3615 -20.3615 -2.5691 -2.5691 3.7414 3.7414 4.7437 4.7437 5.6484 5.6484 6.0848 6.0848 8.2509 8.2509 8.9104 8.9104 9.0049 9.0049 9.0916 9.0916 k = 0.1667 0.0962-0.0000 ( 2765 PWs) bands (ev): -42.0522 -42.0522 -41.9975 -41.9975 -21.0777 -21.0777 -20.9116 -20.9116 -20.5851 -20.5851 -20.4469 -20.4469 -20.3934 -20.3934 -20.3630 -20.3630 -2.5450 -2.5450 3.7876 3.7876 4.6996 4.6996 5.6521 5.6521 6.1186 6.1186 8.1958 8.1958 8.8639 8.8639 9.0086 9.0086 9.1179 9.1179 k = 0.1759 0.1016-0.0000 ( 2765 PWs) bands (ev): -42.0511 -42.0511 -41.9972 -41.9972 -21.0776 -21.0776 -20.9153 -20.9153 -20.5863 -20.5863 -20.4512 -20.4512 -20.3963 -20.3963 -20.3644 -20.3644 -2.5201 -2.5201 3.8350 3.8350 4.6562 4.6562 5.6557 5.6557 6.1528 6.1528 8.1401 8.1401 8.8152 8.8152 9.0176 9.0176 9.1453 9.1453 k = 0.1852 0.1069-0.0000 ( 2773 PWs) bands (ev): -42.0500 -42.0500 -41.9969 -41.9969 -21.0776 -21.0776 -20.9193 -20.9193 -20.5876 -20.5876 -20.4556 -20.4556 -20.3995 -20.3995 -20.3657 -20.3657 -2.4944 -2.4944 3.8832 3.8832 4.6139 4.6139 5.6591 5.6591 6.1875 6.1875 8.0838 8.0838 8.7668 8.7668 9.0293 9.0293 9.1735 9.1735 k = 0.1944 0.1123-0.0000 ( 2773 PWs) bands (ev): -42.0488 -42.0488 -41.9966 -41.9966 -21.0775 -21.0775 -20.9234 -20.9234 -20.5888 -20.5888 -20.4600 -20.4600 -20.4028 -20.4028 -20.3670 -20.3670 -2.4681 -2.4681 3.9316 3.9316 4.5735 4.5735 5.6622 5.6622 6.2227 6.2227 8.0274 8.0274 8.7199 8.7199 9.0430 9.0430 9.2027 9.2027 k = 0.2037 0.1176-0.0000 ( 2777 PWs) bands (ev): -42.0476 -42.0476 -41.9963 -41.9963 -21.0775 -21.0775 -20.9276 -20.9276 -20.5901 -20.5901 -20.4645 -20.4645 -20.4062 -20.4062 -20.3682 -20.3682 -2.4412 -2.4412 3.9792 3.9792 4.5356 4.5356 5.6651 5.6651 6.2585 6.2585 7.9711 7.9711 8.6746 8.6746 9.0586 9.0586 9.2326 9.2326 k = 0.2130 0.1230-0.0000 ( 2777 PWs) bands (ev): -42.0464 -42.0464 -41.9961 -41.9961 -21.0775 -21.0775 -20.9319 -20.9319 -20.5913 -20.5913 -20.4689 -20.4689 -20.4098 -20.4098 -20.3694 -20.3694 -2.4138 -2.4138 4.0247 4.0247 4.5017 4.5017 5.6676 5.6676 6.2949 6.2949 7.9151 7.9151 8.6311 8.6311 9.0758 9.0758 9.2634 9.2634 k = 0.2222 0.1283-0.0000 ( 2775 PWs) bands (ev): -42.0451 -42.0451 -41.9958 -41.9958 -21.0776 -21.0776 -20.9364 -20.9364 -20.5925 -20.5925 -20.4734 -20.4734 -20.4134 -20.4134 -20.3705 -20.3705 -2.3860 -2.3860 4.0659 4.0659 4.4739 4.4739 5.6699 5.6699 6.3319 6.3319 7.8597 7.8597 8.5897 8.5897 9.0948 9.0948 9.2950 9.2950 k = 0.2315 0.1336-0.0000 ( 2767 PWs) bands (ev): -42.0438 -42.0438 -41.9955 -41.9955 -21.0776 -21.0776 -20.9410 -20.9410 -20.5936 -20.5936 -20.4779 -20.4779 -20.4170 -20.4170 -20.3716 -20.3716 -2.3580 -2.3580 4.0993 4.0993 4.4555 4.4555 5.6718 5.6718 6.3697 6.3697 7.8051 7.8051 8.5502 8.5502 9.1154 9.1154 9.3276 9.3276 k = 0.2407 0.1390-0.0000 ( 2761 PWs) bands (ev): -42.0425 -42.0425 -41.9952 -41.9952 -21.0777 -21.0777 -20.9457 -20.9457 -20.5947 -20.5947 -20.4824 -20.4824 -20.4207 -20.4207 -20.3727 -20.3727 -2.3297 -2.3297 4.1207 4.1207 4.4506 4.4506 5.6733 5.6733 6.4081 6.4081 7.7514 7.7514 8.5128 8.5128 9.1378 9.1378 9.3610 9.3610 k = 0.2500 0.1443-0.0000 ( 2753 PWs) bands (ev): -42.0412 -42.0412 -41.9950 -41.9950 -21.0778 -21.0778 -20.9504 -20.9504 -20.5957 -20.5957 -20.4868 -20.4868 -20.4243 -20.4243 -20.3738 -20.3738 -2.3013 -2.3013 4.1271 4.1271 4.4620 4.4620 5.6746 5.6746 6.4472 6.4472 7.6989 7.6989 8.4774 8.4774 9.1618 9.1618 9.3954 9.3954 k = 0.2593 0.1497-0.0000 ( 2753 PWs) bands (ev): -42.0398 -42.0398 -41.9947 -41.9947 -21.0779 -21.0779 -20.9553 -20.9553 -20.5967 -20.5967 -20.4913 -20.4913 -20.4280 -20.4280 -20.3749 -20.3749 -2.2730 -2.2730 4.1191 4.1191 4.4888 4.4888 5.6754 5.6754 6.4869 6.4869 7.6477 7.6477 8.4440 8.4440 9.1874 9.1874 9.4308 9.4308 k = 0.2685 0.1550-0.0000 ( 2749 PWs) bands (ev): -42.0385 -42.0385 -41.9945 -41.9945 -21.0780 -21.0780 -20.9602 -20.9602 -20.5977 -20.5977 -20.4957 -20.4957 -20.4315 -20.4315 -20.3760 -20.3760 -2.2448 -2.2448 4.1008 4.1008 4.5270 4.5270 5.6759 5.6759 6.5274 6.5274 7.5982 7.5982 8.4128 8.4128 9.2147 9.2147 9.4672 9.4672 k = 0.2778 0.1604-0.0000 ( 2759 PWs) bands (ev): -42.0371 -42.0371 -41.9943 -41.9943 -21.0782 -21.0782 -20.9652 -20.9652 -20.5986 -20.5986 -20.5001 -20.5001 -20.4351 -20.4351 -20.3771 -20.3771 -2.2168 -2.2168 4.0761 4.0761 4.5723 4.5723 5.6759 5.6759 6.5684 6.5684 7.5504 7.5504 8.3836 8.3836 9.2435 9.2435 9.5047 9.5047 k = 0.2870 0.1657-0.0000 ( 2753 PWs) bands (ev): -42.0358 -42.0358 -41.9941 -41.9941 -21.0784 -21.0784 -20.9702 -20.9702 -20.5994 -20.5994 -20.5045 -20.5045 -20.4385 -20.4385 -20.3781 -20.3781 -2.1890 -2.1890 4.0481 4.0481 4.6218 4.6218 5.6757 5.6757 6.6101 6.6101 7.5046 7.5046 8.3566 8.3566 9.2738 9.2738 9.5433 9.5433 k = 0.2963 0.1711-0.0000 ( 2755 PWs) bands (ev): -42.0344 -42.0344 -41.9939 -41.9939 -21.0785 -21.0785 -20.9752 -20.9752 -20.6001 -20.6001 -20.5087 -20.5087 -20.4418 -20.4418 -20.3792 -20.3792 -2.1617 -2.1617 4.0182 4.0182 4.6733 4.6733 5.6751 5.6751 6.6522 6.6522 7.4611 7.4611 8.3316 8.3316 9.3055 9.3055 9.5829 9.5829 k = 0.3056 0.1764-0.0000 ( 2754 PWs) bands (ev): -42.0331 -42.0331 -41.9938 -41.9938 -21.0787 -21.0787 -20.9802 -20.9802 -20.6007 -20.6007 -20.5129 -20.5129 -20.4451 -20.4451 -20.3803 -20.3803 -2.1348 -2.1348 3.9878 3.9878 4.7256 4.7256 5.6742 5.6742 6.6947 6.6947 7.4200 7.4200 8.3086 8.3086 9.3387 9.3387 9.6236 9.6236 k = 0.3148 0.1818-0.0000 ( 2754 PWs) bands (ev): -42.0318 -42.0318 -41.9936 -41.9936 -21.0789 -21.0789 -20.9852 -20.9852 -20.6013 -20.6013 -20.5171 -20.5171 -20.4482 -20.4482 -20.3813 -20.3813 -2.1086 -2.1086 3.9575 3.9575 4.7779 4.7779 5.6730 5.6730 6.7371 6.7371 7.3818 7.3818 8.2876 8.2876 9.3730 9.3730 9.6654 9.6654 k = 0.3241 0.1871-0.0000 ( 2762 PWs) bands (ev): -42.0304 -42.0304 -41.9935 -41.9935 -21.0790 -21.0790 -20.9902 -20.9902 -20.6018 -20.6018 -20.5211 -20.5211 -20.4512 -20.4512 -20.3824 -20.3824 -2.0830 -2.0830 3.9276 3.9276 4.8293 4.8293 5.6716 5.6716 6.7792 6.7792 7.3467 7.3467 8.2684 8.2684 9.4085 9.4085 9.7081 9.7081 k = 0.3333 0.1925-0.0000 ( 2766 PWs) bands (ev): -42.0291 -42.0291 -41.9934 -41.9934 -21.0792 -21.0792 -20.9951 -20.9951 -20.6021 -20.6021 -20.5251 -20.5251 -20.4540 -20.4540 -20.3834 -20.3834 -2.0581 -2.0581 3.8985 3.8985 4.8796 4.8796 5.6700 5.6700 6.8205 6.8205 7.3154 7.3154 8.2510 8.2510 9.4450 9.4450 9.7518 9.7518 k = 0.3426 0.1978-0.0000 ( 2766 PWs) bands (ev): -42.0279 -42.0279 -41.9933 -41.9933 -21.0792 -21.0792 -21.0000 -21.0000 -20.6024 -20.6024 -20.5289 -20.5289 -20.4567 -20.4567 -20.3845 -20.3845 -2.0341 -2.0341 3.8706 3.8706 4.9282 4.9282 5.6682 5.6682 6.8599 6.8599 7.2889 7.2889 8.2352 8.2352 9.4824 9.4824 9.7963 9.7963 k = 0.3519 0.2031-0.0000 ( 2766 PWs) bands (ev): -42.0266 -42.0266 -41.9933 -41.9933 -21.0793 -21.0793 -21.0048 -21.0048 -20.6026 -20.6026 -20.5327 -20.5327 -20.4593 -20.4593 -20.3854 -20.3854 -2.0110 -2.0110 3.8438 3.8438 4.9749 4.9749 5.6662 5.6662 6.8962 6.8962 7.2683 7.2683 8.2210 8.2210 9.5206 9.5206 9.8416 9.8416 k = 0.3611 0.2085-0.0000 ( 2762 PWs) bands (ev): -42.0254 -42.0254 -41.9933 -41.9933 -21.0793 -21.0793 -21.0095 -21.0095 -20.6027 -20.6027 -20.5363 -20.5363 -20.4617 -20.4617 -20.3864 -20.3864 -1.9889 -1.9889 3.8183 3.8183 5.0193 5.0193 5.6641 5.6641 6.9276 6.9276 7.2555 7.2555 8.2079 8.2079 9.5594 9.5594 9.8875 9.8875 k = 0.3704 0.2138-0.0000 ( 2762 PWs) bands (ev): -42.0242 -42.0242 -41.9933 -41.9933 -21.0792 -21.0792 -21.0140 -21.0140 -20.6027 -20.6027 -20.5397 -20.5397 -20.4640 -20.4640 -20.3873 -20.3873 -1.9678 -1.9678 3.7941 3.7941 5.0612 5.0612 5.6620 5.6620 6.9515 6.9515 7.2527 7.2527 8.1958 8.1958 9.5985 9.5985 9.9339 9.9339 k = 0.3796 0.2192-0.0000 ( 2766 PWs) bands (ev): -42.0231 -42.0231 -41.9933 -41.9933 -21.0791 -21.0791 -21.0185 -21.0185 -20.6026 -20.6026 -20.5431 -20.5431 -20.4661 -20.4661 -20.3882 -20.3882 -1.9480 -1.9480 3.7714 3.7714 5.1003 5.1003 5.6598 5.6598 6.9663 6.9663 7.2615 7.2615 8.1845 8.1845 9.6379 9.6379 9.9806 9.9806 k = 0.3889 0.2245-0.0000 ( 2766 PWs) bands (ev): -42.0220 -42.0220 -41.9933 -41.9933 -21.0789 -21.0789 -21.0228 -21.0228 -20.6025 -20.6025 -20.5463 -20.5463 -20.4681 -20.4681 -20.3890 -20.3890 -1.9293 -1.9293 3.7502 3.7502 5.1367 5.1367 5.6576 5.6576 6.9721 6.9721 7.2815 7.2815 8.1736 8.1736 9.6772 9.6772 10.0275 10.0275 k = 0.3981 0.2299-0.0000 ( 2778 PWs) bands (ev): -42.0209 -42.0209 -41.9934 -41.9934 -21.0786 -21.0786 -21.0270 -21.0270 -20.6023 -20.6023 -20.5493 -20.5493 -20.4699 -20.4699 -20.3898 -20.3898 -1.9120 -1.9120 3.7306 3.7306 5.1700 5.1700 5.6554 5.6554 6.9706 6.9706 7.3106 7.3106 8.1629 8.1629 9.7162 9.7162 10.0743 10.0743 k = 0.4074 0.2352-0.0000 ( 2782 PWs) bands (ev): -42.0199 -42.0199 -41.9935 -41.9935 -21.0782 -21.0782 -21.0310 -21.0310 -20.6020 -20.6020 -20.5522 -20.5522 -20.4716 -20.4716 -20.3905 -20.3905 -1.8959 -1.8959 3.7126 3.7126 5.2005 5.2005 5.6533 5.6533 6.9646 6.9646 7.3461 7.3461 8.1521 8.1521 9.7547 9.7547 10.1210 10.1210 k = 0.4167 0.2406-0.0000 ( 2778 PWs) bands (ev): -42.0190 -42.0190 -41.9936 -41.9936 -21.0777 -21.0777 -21.0348 -21.0348 -20.6017 -20.6017 -20.5549 -20.5549 -20.4730 -20.4730 -20.3912 -20.3912 -1.8812 -1.8812 3.6963 3.6963 5.2279 5.2279 5.6514 5.6514 6.9562 6.9562 7.3852 7.3852 8.1409 8.1409 9.7924 9.7924 10.1673 10.1673 k = 0.4259 0.2459-0.0000 ( 2778 PWs) bands (ev): -42.0182 -42.0182 -41.9937 -41.9937 -21.0772 -21.0772 -21.0384 -21.0384 -20.6013 -20.6013 -20.5574 -20.5574 -20.4744 -20.4744 -20.3918 -20.3918 -1.8679 -1.8679 3.6816 3.6816 5.2522 5.2522 5.6495 5.6495 6.9468 6.9468 7.4260 7.4260 8.1292 8.1292 9.8287 9.8287 10.2129 10.2129 k = 0.4352 0.2513-0.0000 ( 2778 PWs) bands (ev): -42.0174 -42.0174 -41.9938 -41.9938 -21.0765 -21.0765 -21.0418 -21.0418 -20.6008 -20.6008 -20.5597 -20.5597 -20.4756 -20.4756 -20.3923 -20.3923 -1.8560 -1.8560 3.6686 3.6686 5.2736 5.2736 5.6478 5.6478 6.9374 6.9374 7.4670 7.4670 8.1169 8.1169 9.8635 9.8635 10.2577 10.2577 k = 0.4444 0.2566-0.0000 ( 2784 PWs) bands (ev): -42.0167 -42.0167 -41.9939 -41.9939 -21.0757 -21.0757 -21.0450 -21.0450 -20.6004 -20.6004 -20.5617 -20.5617 -20.4766 -20.4766 -20.3928 -20.3928 -1.8458 -1.8458 3.6573 3.6573 5.2919 5.2919 5.6463 5.6463 6.9286 6.9286 7.5069 7.5069 8.1041 8.1041 9.8960 9.8960 10.3015 10.3015 k = 0.4537 0.2619-0.0000 ( 2776 PWs) bands (ev): -42.0161 -42.0161 -41.9940 -41.9940 -21.0749 -21.0749 -21.0479 -21.0479 -20.6000 -20.6000 -20.5635 -20.5635 -20.4774 -20.4774 -20.3932 -20.3932 -1.8369 -1.8369 3.6477 3.6477 5.3073 5.3073 5.6450 5.6450 6.9208 6.9208 7.5445 7.5445 8.0909 8.0909 9.9257 9.9257 10.3440 10.3440 k = 0.4630 0.2673-0.0000 ( 2772 PWs) bands (ev): -42.0156 -42.0156 -41.9941 -41.9941 -21.0740 -21.0740 -21.0504 -21.0504 -20.5995 -20.5995 -20.5650 -20.5650 -20.4781 -20.4781 -20.3936 -20.3936 -1.8297 -1.8297 3.6399 3.6399 5.3199 5.3199 5.6439 5.6439 6.9142 6.9142 7.5785 7.5785 8.0780 8.0780 9.9519 9.9519 10.3848 10.3848 k = 0.4722 0.2726-0.0000 ( 2772 PWs) bands (ev): -42.0152 -42.0152 -41.9941 -41.9941 -21.0731 -21.0731 -21.0526 -21.0526 -20.5992 -20.5992 -20.5663 -20.5663 -20.4787 -20.4787 -20.3938 -20.3938 -1.8240 -1.8240 3.6338 3.6338 5.3295 5.3295 5.6430 5.6430 6.9089 6.9089 7.6074 7.6074 8.0660 8.0660 9.9737 9.9737 10.4236 10.4237 k = 0.4815 0.2780-0.0000 ( 2774 PWs) bands (ev): -42.0149 -42.0149 -41.9942 -41.9942 -21.0723 -21.0723 -21.0544 -21.0544 -20.5989 -20.5989 -20.5672 -20.5672 -20.4791 -20.4791 -20.3940 -20.3940 -1.8200 -1.8200 3.6294 3.6294 5.3364 5.3364 5.6423 5.6423 6.9051 6.9051 7.6298 7.6298 8.0561 8.0561 9.9902 9.9902 10.4340 10.4524 k = 0.4907 0.2833-0.0000 ( 2766 PWs) bands (ev): -42.0147 -42.0147 -41.9942 -41.9942 -21.0718 -21.0718 -21.0554 -21.0554 -20.5987 -20.5987 -20.5677 -20.5677 -20.4793 -20.4793 -20.3941 -20.3941 -1.8175 -1.8175 3.6269 3.6269 5.3406 5.3406 5.6420 5.6420 6.9028 6.9028 7.6441 7.6441 8.0495 8.0495 10.0006 10.0006 10.4278 10.4279 k = 0.5000 0.2887-0.0000 ( 2768 PWs) bands (ev): -42.0147 -42.0147 -41.9942 -41.9942 -21.0716 -21.0716 -21.0558 -21.0558 -20.5987 -20.5987 -20.5679 -20.5679 -20.4794 -20.4794 -20.3942 -20.3942 -1.8167 -1.8167 3.6260 3.6260 5.3419 5.3419 5.6419 5.6419 6.9020 6.9020 7.6490 7.6490 8.0471 8.0471 10.0041 10.0041 10.4258 10.4259 k = 0.5000 0.2887-0.0000 ( 2768 PWs) bands (ev): -42.0147 -42.0147 -41.9942 -41.9942 -21.0716 -21.0716 -21.0558 -21.0558 -20.5987 -20.5987 -20.5679 -20.5679 -20.4794 -20.4794 -20.3942 -20.3942 -1.8167 -1.8167 3.6260 3.6260 5.3419 5.3419 5.6419 5.6419 6.9020 6.9020 7.6490 7.6490 8.0471 8.0471 10.0041 10.0041 10.4258 10.4258 k = 0.4946 0.2980-0.0000 ( 2768 PWs) bands (ev): -42.0147 -42.0147 -41.9942 -41.9942 -21.0716 -21.0716 -21.0558 -21.0558 -20.5988 -20.5988 -20.5678 -20.5678 -20.4794 -20.4794 -20.3943 -20.3943 -1.8165 -1.8165 3.6273 3.6273 5.3420 5.3420 5.6394 5.6394 6.9042 6.9042 7.6491 7.6491 8.0469 8.0469 10.0038 10.0038 10.4262 10.4264 k = 0.4892 0.3073-0.0000 ( 2762 PWs) bands (ev): -42.0146 -42.0146 -41.9943 -41.9943 -21.0715 -21.0715 -21.0557 -21.0557 -20.5991 -20.5991 -20.5676 -20.5676 -20.4795 -20.4795 -20.3946 -20.3946 -1.8158 -1.8158 3.6311 3.6311 5.3425 5.3425 5.6322 5.6322 6.9109 6.9109 7.6493 7.6493 8.0462 8.0462 10.0029 10.0029 10.4275 10.4275 k = 0.4839 0.3166-0.0000 ( 2762 PWs) bands (ev): -42.0145 -42.0145 -41.9943 -41.9943 -21.0715 -21.0715 -21.0556 -21.0556 -20.5997 -20.5997 -20.5672 -20.5672 -20.4797 -20.4797 -20.3951 -20.3951 -1.8146 -1.8146 3.6374 3.6374 5.3432 5.3432 5.6203 5.6203 6.9218 6.9218 7.6496 7.6496 8.0450 8.0450 10.0013 10.0013 10.4295 10.4297 k = 0.4785 0.3259-0.0000 ( 2770 PWs) bands (ev): -42.0144 -42.0144 -41.9943 -41.9943 -21.0714 -21.0714 -21.0555 -21.0555 -20.6005 -20.6005 -20.5668 -20.5668 -20.4800 -20.4800 -20.3958 -20.3958 -1.8129 -1.8129 3.6462 3.6462 5.3442 5.3442 5.6039 5.6039 6.9367 6.9367 7.6501 7.6501 8.0433 8.0433 9.9990 9.9990 10.4320 10.4343 k = 0.4731 0.3352-0.0000 ( 2772 PWs) bands (ev): -42.0142 -42.0142 -41.9943 -41.9943 -21.0713 -21.0713 -21.0554 -21.0554 -20.6015 -20.6015 -20.5662 -20.5662 -20.4803 -20.4803 -20.3967 -20.3967 -1.8108 -1.8108 3.6575 3.6575 5.3455 5.3455 5.5833 5.5833 6.9555 6.9555 7.6507 7.6507 8.0411 8.0411 9.9959 9.9959 10.4101 10.4101 k = 0.4677 0.3445-0.0000 ( 2772 PWs) bands (ev): -42.0140 -42.0140 -41.9944 -41.9944 -21.0712 -21.0712 -21.0552 -21.0552 -20.6027 -20.6027 -20.5654 -20.5654 -20.4808 -20.4808 -20.3978 -20.3978 -1.8083 -1.8083 3.6712 3.6712 5.3470 5.3470 5.5590 5.5590 6.9778 6.9778 7.6515 7.6515 8.0383 8.0383 9.9920 9.9920 10.3649 10.3649 k = 0.4624 0.3539-0.0000 ( 2772 PWs) bands (ev): -42.0137 -42.0137 -41.9944 -41.9944 -21.0710 -21.0710 -21.0549 -21.0549 -20.6041 -20.6041 -20.5646 -20.5646 -20.4813 -20.4813 -20.3990 -20.3990 -1.8053 -1.8053 3.6873 3.6873 5.3488 5.3488 5.5311 5.5311 7.0033 7.0033 7.6524 7.6524 8.0350 8.0350 9.9870 9.9870 10.3191 10.3191 k = 0.4570 0.3632-0.0000 ( 2776 PWs) bands (ev): -42.0135 -42.0135 -41.9945 -41.9945 -21.0709 -21.0709 -21.0547 -21.0547 -20.6056 -20.6056 -20.5637 -20.5637 -20.4819 -20.4819 -20.4004 -20.4004 -1.8020 -1.8020 3.7055 3.7055 5.3508 5.3508 5.5001 5.5001 7.0318 7.0318 7.6536 7.6536 8.0312 8.0312 9.9806 9.9806 10.2750 10.2750 k = 0.4516 0.3725-0.0000 ( 2776 PWs) bands (ev): -42.0132 -42.0132 -41.9946 -41.9946 -21.0707 -21.0707 -21.0545 -21.0545 -20.6073 -20.6073 -20.5627 -20.5627 -20.4825 -20.4825 -20.4020 -20.4020 -1.7983 -1.7983 3.7261 3.7261 5.3530 5.3530 5.4663 5.4663 7.0629 7.0629 7.6549 7.6549 8.0267 8.0267 9.9723 9.9723 10.2341 10.2341 k = 0.4462 0.3818-0.0000 ( 2774 PWs) bands (ev): -42.0128 -42.0128 -41.9947 -41.9947 -21.0705 -21.0705 -21.0542 -21.0542 -20.6090 -20.6090 -20.5616 -20.5616 -20.4833 -20.4833 -20.4036 -20.4036 -1.7943 -1.7943 3.7488 3.7488 5.3554 5.3554 5.4301 5.4301 7.0964 7.0964 7.6565 7.6565 8.0217 8.0217 9.9615 9.9615 10.1977 10.1977 k = 0.4409 0.3911-0.0000 ( 2768 PWs) bands (ev): -42.0124 -42.0124 -41.9948 -41.9948 -21.0702 -21.0702 -21.0540 -21.0540 -20.6109 -20.6109 -20.5604 -20.5604 -20.4841 -20.4841 -20.4053 -20.4053 -1.7899 -1.7899 3.7736 3.7736 5.3577 5.3577 5.3924 5.3924 7.1320 7.1320 7.6582 7.6582 8.0160 8.0160 9.9476 9.9476 10.1670 10.1670 k = 0.4355 0.4004-0.0000 ( 2770 PWs) bands (ev): -42.0120 -42.0120 -41.9949 -41.9949 -21.0700 -21.0700 -21.0537 -21.0537 -20.6128 -20.6128 -20.5591 -20.5591 -20.4850 -20.4850 -20.4072 -20.4072 -1.7853 -1.7853 3.8003 3.8003 5.3480 5.3480 5.3647 5.3647 7.1692 7.1692 7.6603 7.6603 8.0097 8.0097 9.9301 9.9301 10.1428 10.1428 k = 0.4301 0.4097-0.0000 ( 2770 PWs) bands (ev): -42.0116 -42.0116 -41.9950 -41.9950 -21.0697 -21.0697 -21.0535 -21.0535 -20.6149 -20.6149 -20.5578 -20.5578 -20.4861 -20.4861 -20.4091 -20.4091 -1.7804 -1.7804 3.8288 3.8288 5.3081 5.3081 5.3658 5.3658 7.2080 7.2080 7.6626 7.6626 8.0029 8.0029 9.9094 9.9094 10.1252 10.1252 k = 0.4247 0.4190-0.0000 ( 2774 PWs) bands (ev): -42.0111 -42.0111 -41.9951 -41.9951 -21.0694 -21.0694 -21.0533 -21.0533 -20.6169 -20.6169 -20.5564 -20.5564 -20.4872 -20.4872 -20.4110 -20.4110 -1.7754 -1.7754 3.8590 3.8590 5.2651 5.2651 5.3689 5.3689 7.2479 7.2479 7.6652 7.6652 7.9954 7.9954 9.8863 9.8863 10.1135 10.1135 k = 0.4194 0.4284-0.0000 ( 2778 PWs) bands (ev): -42.0106 -42.0106 -41.9953 -41.9953 -21.0691 -21.0691 -21.0531 -21.0531 -20.6190 -20.6190 -20.5549 -20.5549 -20.4884 -20.4884 -20.4130 -20.4130 -1.7703 -1.7703 3.8908 3.8908 5.2207 5.2207 5.3724 5.3724 7.2887 7.2887 7.6681 7.6681 7.9872 7.9872 9.8622 9.8622 10.1067 10.1067 k = 0.4140 0.4377-0.0000 ( 2774 PWs) bands (ev): -42.0101 -42.0101 -41.9955 -41.9955 -21.0688 -21.0688 -21.0530 -21.0530 -20.6211 -20.6211 -20.5534 -20.5534 -20.4897 -20.4897 -20.4150 -20.4150 -1.7650 -1.7650 3.9240 3.9240 5.1755 5.1755 5.3761 5.3761 7.3303 7.3303 7.6715 7.6715 7.9785 7.9785 9.8380 9.8380 10.1039 10.1039 k = 0.4086 0.4470-0.0000 ( 2774 PWs) bands (ev): -42.0096 -42.0096 -41.9957 -41.9957 -21.0685 -21.0685 -21.0529 -21.0529 -20.6232 -20.6232 -20.5518 -20.5518 -20.4911 -20.4911 -20.4169 -20.4169 -1.7597 -1.7597 3.9586 3.9586 5.1296 5.1296 5.3799 5.3799 7.3720 7.3720 7.6752 7.6752 7.9693 7.9693 9.8148 9.8148 10.1041 10.1041 k = 0.4032 0.4563-0.0000 ( 2770 PWs) bands (ev): -42.0090 -42.0090 -41.9959 -41.9959 -21.0681 -21.0681 -21.0528 -21.0528 -20.6252 -20.6252 -20.5502 -20.5502 -20.4925 -20.4925 -20.4188 -20.4188 -1.7544 -1.7544 3.9944 3.9944 5.0832 5.0832 5.3838 5.3838 7.4137 7.4137 7.6794 7.6794 7.9596 7.9596 9.7932 9.7932 10.1068 10.1068 k = 0.3978 0.4656-0.0000 ( 2768 PWs) bands (ev): -42.0085 -42.0085 -41.9961 -41.9961 -21.0677 -21.0677 -21.0528 -21.0528 -20.6271 -20.6271 -20.5486 -20.5486 -20.4941 -20.4941 -20.4206 -20.4206 -1.7492 -1.7492 4.0312 4.0312 5.0365 5.0365 5.3878 5.3878 7.4550 7.4550 7.6840 7.6840 7.9495 7.9495 9.7735 9.7735 10.1115 10.1115 k = 0.3925 0.4749-0.0000 ( 2772 PWs) bands (ev): -42.0079 -42.0079 -41.9964 -41.9964 -21.0674 -21.0674 -21.0529 -21.0529 -20.6290 -20.6290 -20.5469 -20.5469 -20.4957 -20.4957 -20.4223 -20.4223 -1.7440 -1.7440 4.0689 4.0689 4.9895 4.9895 5.3918 5.3918 7.4955 7.4955 7.6892 7.6892 7.9389 7.9389 9.7560 9.7560 10.1179 10.1179 k = 0.3871 0.4842-0.0000 ( 2768 PWs) bands (ev): -42.0073 -42.0073 -41.9967 -41.9967 -21.0670 -21.0670 -21.0530 -21.0530 -20.6308 -20.6308 -20.5451 -20.5451 -20.4975 -20.4975 -20.4239 -20.4239 -1.7391 -1.7391 4.1074 4.1074 4.9427 4.9427 5.3957 5.3957 7.5348 7.5348 7.6949 7.6949 7.9279 7.9279 9.7409 9.7409 10.1257 10.1257 k = 0.3817 0.4935-0.0000 ( 2766 PWs) bands (ev): -42.0067 -42.0067 -41.9970 -41.9970 -21.0666 -21.0666 -21.0532 -21.0532 -20.6325 -20.6325 -20.5434 -20.5434 -20.4992 -20.4992 -20.4254 -20.4254 -1.7343 -1.7343 4.1464 4.1464 4.8960 4.8960 5.3995 5.3995 7.5725 7.5725 7.7011 7.7011 7.9166 7.9166 9.7280 9.7280 10.1348 10.1348 k = 0.3763 0.5029-0.0000 ( 2758 PWs) bands (ev): -42.0060 -42.0060 -41.9973 -41.9973 -21.0661 -21.0661 -21.0534 -21.0534 -20.6340 -20.6340 -20.5417 -20.5417 -20.5010 -20.5010 -20.4267 -20.4267 -1.7299 -1.7299 4.1860 4.1860 4.8497 4.8497 5.4032 5.4032 7.6082 7.6082 7.7079 7.7079 7.9050 7.9050 9.7175 9.7175 10.1449 10.1449 k = 0.3710 0.5122-0.0000 ( 2756 PWs) bands (ev): -42.0054 -42.0054 -41.9977 -41.9977 -21.0657 -21.0657 -21.0537 -21.0537 -20.6354 -20.6354 -20.5400 -20.5400 -20.5028 -20.5028 -20.4279 -20.4279 -1.7257 -1.7257 4.2258 4.2258 4.8037 4.8037 5.4068 5.4068 7.6414 7.6414 7.7153 7.7153 7.8930 7.8930 9.7091 9.7091 10.1557 10.1557 k = 0.3656 0.5215-0.0000 ( 2760 PWs) bands (ev): -42.0048 -42.0048 -41.9981 -41.9981 -21.0652 -21.0652 -21.0541 -21.0541 -20.6367 -20.6367 -20.5383 -20.5383 -20.5046 -20.5046 -20.4290 -20.4290 -1.7219 -1.7219 4.2659 4.2659 4.7583 4.7583 5.4101 5.4101 7.6718 7.6718 7.7232 7.7232 7.8807 7.8807 9.7027 9.7027 10.1673 10.1673 k = 0.3602 0.5308-0.0000 ( 2763 PWs) bands (ev): -42.0042 -42.0042 -41.9985 -41.9985 -21.0647 -21.0647 -21.0545 -21.0545 -20.6378 -20.6378 -20.5367 -20.5367 -20.5063 -20.5063 -20.4299 -20.4299 -1.7186 -1.7186 4.3061 4.3061 4.7137 4.7137 5.4130 5.4130 7.6989 7.6989 7.7317 7.7317 7.8681 7.8681 9.6981 9.6981 10.1793 10.1794 k = 0.3548 0.5401-0.0000 ( 2755 PWs) bands (ev): -42.0035 -42.0035 -41.9989 -41.9989 -21.0643 -21.0643 -21.0550 -21.0550 -20.6387 -20.6387 -20.5352 -20.5352 -20.5079 -20.5079 -20.4307 -20.4307 -1.7157 -1.7157 4.3462 4.3462 4.6699 4.6699 5.4156 5.4156 7.7224 7.7224 7.7408 7.7408 7.8551 7.8551 9.6950 9.6950 10.1918 10.1918 k = 0.3495 0.5494-0.0000 ( 2763 PWs) bands (ev): -42.0029 -42.0029 -41.9994 -41.9994 -21.0638 -21.0638 -21.0554 -21.0554 -20.6394 -20.6394 -20.5340 -20.5340 -20.5093 -20.5093 -20.4313 -20.4313 -1.7134 -1.7134 4.3862 4.3862 4.6270 4.6270 5.4177 5.4177 7.7404 7.7404 7.7518 7.7518 7.8416 7.8416 9.6932 9.6932 10.2045 10.2045 k = 0.3441 0.5587-0.0000 ( 2765 PWs) bands (ev): -42.0023 -42.0023 -41.9999 -41.9999 -21.0635 -21.0635 -21.0558 -21.0558 -20.6399 -20.6399 -20.5329 -20.5329 -20.5105 -20.5105 -20.4317 -20.4317 -1.7117 -1.7117 4.4258 4.4258 4.5852 4.5852 5.4193 5.4193 7.7510 7.7510 7.7666 7.7666 7.8277 7.8277 9.6924 9.6924 10.2175 10.2175 k = 0.3387 0.5680-0.0000 ( 2765 PWs) bands (ev): -42.0017 -42.0017 -42.0005 -42.0005 -21.0632 -21.0632 -21.0561 -21.0561 -20.6402 -20.6402 -20.5323 -20.5323 -20.5112 -20.5112 -20.4319 -20.4319 -1.7107 -1.7107 4.4651 4.4651 4.5447 4.5447 5.4204 5.4204 7.7568 7.7568 7.7823 7.7823 7.8133 7.8133 9.6921 9.6921 10.2308 10.2310 k = 0.3333 0.5774-0.0000 ( 2757 PWs) bands (ev): -42.0011 -42.0011 -42.0011 -42.0011 -21.0631 -21.0631 -21.0562 -21.0562 -20.6403 -20.6403 -20.5320 -20.5320 -20.5114 -20.5114 -20.4320 -20.4320 -1.7102 -1.7102 4.4985 4.4985 4.5109 4.5109 5.4208 5.4208 7.7588 7.7588 7.7961 7.7961 7.8000 7.8000 9.6921 9.6921 10.2448 10.2458 k = 0.3333 0.5774-0.0000 ( 2757 PWs) bands (ev): -42.0011 -42.0011 -42.0011 -42.0011 -21.0631 -21.0631 -21.0562 -21.0562 -20.6403 -20.6403 -20.5320 -20.5320 -20.5114 -20.5114 -20.4320 -20.4320 -1.7102 -1.7102 4.4985 4.4985 4.5109 4.5109 5.4208 5.4208 7.7588 7.7588 7.7961 7.7961 7.8000 7.8000 9.6921 9.6921 10.2437 10.2459 k = 0.3280 0.5680-0.0000 ( 2769 PWs) bands (ev): -42.0017 -42.0017 -42.0005 -42.0005 -21.0632 -21.0632 -21.0561 -21.0561 -20.6402 -20.6402 -20.5323 -20.5323 -20.5112 -20.5112 -20.4319 -20.4319 -1.7107 -1.7107 4.4659 4.4659 4.5438 4.5438 5.4203 5.4203 7.7566 7.7566 7.7820 7.7820 7.8137 7.8137 9.6920 9.6920 10.2297 10.2297 k = 0.3226 0.5587-0.0000 ( 2773 PWs) bands (ev): -42.0023 -42.0023 -41.9999 -41.9999 -21.0636 -21.0636 -21.0557 -21.0557 -20.6399 -20.6399 -20.5329 -20.5329 -20.5105 -20.5105 -20.4317 -20.4317 -1.7119 -1.7119 4.4294 4.4294 4.5817 4.5817 5.4191 5.4191 7.7499 7.7499 7.7655 7.7655 7.8298 7.8298 9.6915 9.6915 10.2123 10.2123 k = 0.3172 0.5494-0.0000 ( 2761 PWs) bands (ev): -42.0030 -42.0030 -41.9993 -41.9993 -21.0642 -21.0642 -21.0550 -21.0550 -20.6394 -20.6394 -20.5339 -20.5339 -20.5093 -20.5093 -20.4313 -20.4313 -1.7139 -1.7139 4.3942 4.3942 4.6192 4.6192 5.4170 5.4170 7.7385 7.7385 7.7482 7.7482 7.8468 7.8468 9.6902 9.6902 10.1925 10.1925 k = 0.3118 0.5401-0.0000 ( 2765 PWs) bands (ev): -42.0038 -42.0038 -41.9988 -41.9988 -21.0649 -21.0649 -21.0541 -21.0541 -20.6387 -20.6387 -20.5351 -20.5351 -20.5078 -20.5078 -20.4308 -20.4308 -1.7168 -1.7168 4.3605 4.3605 4.6562 4.6562 5.4139 5.4139 7.7226 7.7226 7.7300 7.7300 7.8646 7.8646 9.6880 9.6880 10.1698 10.1698 k = 0.3065 0.5308-0.0000 ( 2759 PWs) bands (ev): -42.0045 -42.0045 -41.9982 -41.9982 -21.0657 -21.0657 -21.0529 -21.0529 -20.6378 -20.6378 -20.5363 -20.5363 -20.5061 -20.5061 -20.4300 -20.4300 -1.7206 -1.7206 4.3285 4.3285 4.6926 4.6926 5.4097 5.4097 7.7028 7.7028 7.7108 7.7108 7.8834 7.8834 9.6847 9.6847 10.1443 10.1443 k = 0.3011 0.5215-0.0000 ( 2759 PWs) bands (ev): -42.0053 -42.0053 -41.9977 -41.9977 -21.0666 -21.0666 -21.0516 -21.0516 -20.6368 -20.6368 -20.5377 -20.5377 -20.5042 -20.5042 -20.4292 -20.4292 -1.7254 -1.7254 4.2981 4.2981 4.7284 4.7284 5.4043 5.4043 7.6791 7.6791 7.6907 7.6907 7.9032 7.9032 9.6800 9.6800 10.1162 10.1162 k = 0.2957 0.5122-0.0000 ( 2767 PWs) bands (ev): -42.0062 -42.0062 -41.9972 -41.9972 -21.0676 -21.0676 -21.0502 -21.0502 -20.6356 -20.6356 -20.5390 -20.5390 -20.5022 -20.5022 -20.4283 -20.4283 -1.7312 -1.7312 4.2696 4.2696 4.7634 4.7634 5.3976 5.3976 7.6517 7.6517 7.6699 7.6699 7.9239 7.9239 9.6740 9.6740 10.0858 10.0858 k = 0.2903 0.5029-0.0000 ( 2763 PWs) bands (ev): -42.0070 -42.0070 -41.9968 -41.9968 -21.0685 -21.0685 -21.0485 -21.0485 -20.6342 -20.6342 -20.5403 -20.5403 -20.5001 -20.5001 -20.4272 -20.4272 -1.7379 -1.7379 4.2429 4.2429 4.7978 4.7978 5.3895 5.3895 7.6211 7.6211 7.6487 7.6487 7.9457 7.9457 9.6664 9.6664 10.0533 10.0533 k = 0.2849 0.4935-0.0000 ( 2759 PWs) bands (ev): -42.0080 -42.0080 -41.9963 -41.9963 -21.0694 -21.0694 -21.0467 -21.0467 -20.6327 -20.6327 -20.5414 -20.5414 -20.4978 -20.4978 -20.4260 -20.4260 -1.7458 -1.7458 4.2181 4.2181 4.8314 4.8314 5.3801 5.3801 7.5876 7.5876 7.6272 7.6272 7.9684 7.9684 9.6572 9.6572 10.0191 10.0191 k = 0.2796 0.4842-0.0000 ( 2759 PWs) bands (ev): -42.0089 -42.0089 -41.9959 -41.9959 -21.0703 -21.0703 -21.0448 -21.0448 -20.6312 -20.6312 -20.5425 -20.5425 -20.4955 -20.4955 -20.4247 -20.4247 -1.7547 -1.7547 4.1953 4.1953 4.8642 4.8642 5.3692 5.3692 7.5516 7.5516 7.6057 7.6057 7.9920 7.9920 9.6462 9.6462 9.9835 9.9835 k = 0.2742 0.4749-0.0000 ( 2763 PWs) bands (ev): -42.0099 -42.0099 -41.9955 -41.9955 -21.0712 -21.0712 -21.0427 -21.0427 -20.6295 -20.6295 -20.5434 -20.5434 -20.4931 -20.4931 -20.4234 -20.4234 -1.7647 -1.7647 4.1746 4.1746 4.8960 4.8960 5.3567 5.3567 7.5135 7.5135 7.5843 7.5843 8.0165 8.0165 9.6333 9.6333 9.9468 9.9468 k = 0.2688 0.4656-0.0000 ( 2765 PWs) bands (ev): -42.0109 -42.0109 -41.9952 -41.9952 -21.0721 -21.0721 -21.0404 -21.0404 -20.6277 -20.6277 -20.5442 -20.5442 -20.4907 -20.4907 -20.4219 -20.4219 -1.7759 -1.7759 4.1560 4.1560 4.9268 4.9268 5.3428 5.3428 7.4735 7.4735 7.5634 7.5634 8.0419 8.0419 9.6183 9.6183 9.9094 9.9094 k = 0.2634 0.4563-0.0000 ( 2765 PWs) bands (ev): -42.0120 -42.0120 -41.9949 -41.9949 -21.0729 -21.0729 -21.0380 -21.0380 -20.6259 -20.6259 -20.5447 -20.5447 -20.4882 -20.4882 -20.4203 -20.4203 -1.7881 -1.7881 4.1395 4.1395 4.9562 4.9562 5.3275 5.3275 7.4320 7.4320 7.5434 7.5434 8.0681 8.0681 9.6010 9.6010 9.8716 9.8716 k = 0.2581 0.4470-0.0000 ( 2765 PWs) bands (ev): -42.0131 -42.0131 -41.9946 -41.9946 -21.0736 -21.0736 -21.0353 -21.0353 -20.6241 -20.6241 -20.5450 -20.5450 -20.4856 -20.4856 -20.4187 -20.4187 -1.8015 -1.8015 4.1252 4.1252 4.9838 4.9838 5.3112 5.3112 7.3893 7.3893 7.5247 7.5247 8.0951 8.0951 9.5813 9.5813 9.8336 9.8336 k = 0.2527 0.4377-0.0000 ( 2769 PWs) bands (ev): -42.0142 -42.0142 -41.9943 -41.9943 -21.0743 -21.0743 -21.0326 -21.0326 -20.6222 -20.6222 -20.5451 -20.5451 -20.4830 -20.4830 -20.4170 -20.4170 -1.8160 -1.8160 4.1131 4.1131 5.0090 5.0090 5.2944 5.2944 7.3456 7.3456 7.5075 7.5075 8.1227 8.1227 9.5590 9.5590 9.7957 9.7957 k = 0.2473 0.4284-0.0000 ( 2769 PWs) bands (ev): -42.0154 -42.0154 -41.9940 -41.9940 -21.0750 -21.0750 -21.0296 -21.0296 -20.6204 -20.6204 -20.5449 -20.5449 -20.4803 -20.4803 -20.4152 -20.4152 -1.8317 -1.8317 4.1033 4.1033 5.0304 5.0304 5.2782 5.2782 7.3012 7.3012 7.4922 7.4922 8.1511 8.1511 9.5341 9.5341 9.7582 9.7582 k = 0.2419 0.4190-0.0000 ( 2769 PWs) bands (ev): -42.0165 -42.0165 -41.9938 -41.9938 -21.0755 -21.0755 -21.0265 -21.0265 -20.6186 -20.6186 -20.5445 -20.5445 -20.4776 -20.4776 -20.4134 -20.4134 -1.8484 -1.8484 4.0958 4.0958 5.0462 5.0462 5.2646 5.2646 7.2562 7.2562 7.4792 7.4792 8.1800 8.1800 9.5065 9.5065 9.7212 9.7212 k = 0.2366 0.4097-0.0000 ( 2769 PWs) bands (ev): -42.0178 -42.0178 -41.9937 -41.9937 -21.0760 -21.0760 -21.0232 -21.0232 -20.6168 -20.6168 -20.5437 -20.5437 -20.4748 -20.4748 -20.4116 -20.4116 -1.8663 -1.8663 4.0906 4.0906 5.0536 5.0536 5.2563 5.2563 7.2107 7.2107 7.4688 7.4688 8.2094 8.2094 9.4762 9.4762 9.6850 9.6850 k = 0.2312 0.4004-0.0000 ( 2765 PWs) bands (ev): -42.0190 -42.0190 -41.9935 -41.9935 -21.0764 -21.0764 -21.0198 -21.0198 -20.6151 -20.6151 -20.5426 -20.5426 -20.4719 -20.4719 -20.4097 -20.4097 -1.8852 -1.8852 4.0878 4.0878 5.0498 5.0498 5.2559 5.2559 7.1651 7.1651 7.4612 7.4612 8.2393 8.2393 9.4434 9.4434 9.6498 9.6498 k = 0.2258 0.3911-0.0000 ( 2769 PWs) bands (ev): -42.0203 -42.0203 -41.9934 -41.9934 -21.0768 -21.0768 -21.0162 -21.0162 -20.6135 -20.6135 -20.5412 -20.5412 -20.4691 -20.4691 -20.4078 -20.4078 -1.9052 -1.9052 4.0873 4.0873 5.0344 5.0344 5.2637 5.2637 7.1193 7.1193 7.4567 7.4567 8.2695 8.2695 9.4084 9.4084 9.6158 9.6158 k = 0.2204 0.3818-0.0000 ( 2769 PWs) bands (ev): -42.0216 -42.0216 -41.9933 -41.9933 -21.0771 -21.0771 -21.0124 -21.0124 -20.6120 -20.6120 -20.5395 -20.5395 -20.4661 -20.4661 -20.4059 -20.4059 -1.9261 -1.9261 4.0893 4.0893 5.0092 5.0092 5.2782 5.2782 7.0735 7.0735 7.4555 7.4555 8.3000 8.3000 9.3715 9.3715 9.5831 9.5831 k = 0.2151 0.3725-0.0000 ( 2765 PWs) bands (ev): -42.0229 -42.0229 -41.9933 -41.9933 -21.0774 -21.0774 -21.0085 -21.0085 -20.6106 -20.6106 -20.5374 -20.5374 -20.4631 -20.4631 -20.4039 -20.4039 -1.9480 -1.9480 4.0935 4.0935 4.9767 4.9767 5.2968 5.2968 7.0278 7.0278 7.4577 7.4577 8.3307 8.3307 9.3330 9.3330 9.5518 9.5518 k = 0.2097 0.3632-0.0000 ( 2767 PWs) bands (ev): -42.0242 -42.0242 -41.9932 -41.9932 -21.0776 -21.0776 -21.0045 -21.0045 -20.6093 -20.6093 -20.5351 -20.5351 -20.4600 -20.4600 -20.4020 -20.4020 -1.9710 -1.9710 4.1001 4.1001 4.9385 4.9385 5.3178 5.3178 6.9822 6.9822 7.4634 7.4634 8.3614 8.3614 9.2935 9.2935 9.5221 9.5221 k = 0.2043 0.3539-0.0000 ( 2763 PWs) bands (ev): -42.0256 -42.0256 -41.9932 -41.9932 -21.0777 -21.0777 -21.0003 -21.0003 -20.6080 -20.6080 -20.5324 -20.5324 -20.4569 -20.4569 -20.4000 -20.4000 -1.9947 -1.9947 4.1091 4.1091 4.8961 4.8961 5.3400 5.3400 6.9370 6.9370 7.4727 7.4727 8.3921 8.3921 9.2533 9.2533 9.4941 9.4941 k = 0.1989 0.3445-0.0000 ( 2759 PWs) bands (ev): -42.0270 -42.0270 -41.9933 -41.9933 -21.0778 -21.0778 -20.9960 -20.9960 -20.6068 -20.6068 -20.5295 -20.5295 -20.4538 -20.4538 -20.3980 -20.3980 -2.0193 -2.0193 4.1204 4.1204 4.8502 4.8502 5.3626 5.3626 6.8920 6.8920 7.4856 7.4856 8.4227 8.4227 9.2130 9.2130 9.4678 9.4678 k = 0.1935 0.3352-0.0000 ( 2761 PWs) bands (ev): -42.0283 -42.0283 -41.9933 -41.9933 -21.0778 -21.0778 -20.9917 -20.9917 -20.6057 -20.6057 -20.5263 -20.5263 -20.4506 -20.4506 -20.3961 -20.3961 -2.0446 -2.0446 4.1340 4.1340 4.8014 4.8014 5.3853 5.3853 6.8474 6.8474 7.5020 7.5020 8.4530 8.4530 9.1731 9.1731 9.4434 9.4434 k = 0.1882 0.3259-0.0000 ( 2759 PWs) bands (ev): -42.0297 -42.0297 -41.9934 -41.9934 -21.0779 -21.0779 -20.9872 -20.9872 -20.6046 -20.6046 -20.5229 -20.5229 -20.4473 -20.4473 -20.3942 -20.3942 -2.0707 -2.0707 4.1498 4.1498 4.7503 4.7503 5.4077 5.4077 6.8031 6.8031 7.5220 7.5220 8.4830 8.4830 9.1341 9.1341 9.4209 9.4209 k = 0.1828 0.3166-0.0000 ( 2751 PWs) bands (ev): -42.0311 -42.0311 -41.9935 -41.9935 -21.0778 -21.0778 -20.9827 -20.9827 -20.6035 -20.6035 -20.5192 -20.5192 -20.4440 -20.4440 -20.3922 -20.3922 -2.0974 -2.0974 4.1679 4.1679 4.6970 4.6970 5.4297 5.4297 6.7593 6.7593 7.5455 7.5455 8.5124 8.5124 9.0966 9.0966 9.4002 9.4002 k = 0.1774 0.3073-0.0000 ( 2753 PWs) bands (ev): -42.0325 -42.0325 -41.9937 -41.9937 -21.0778 -21.0778 -20.9780 -20.9780 -20.6025 -20.6025 -20.5153 -20.5153 -20.4407 -20.4407 -20.3903 -20.3903 -2.1247 -2.1247 4.1883 4.1883 4.6421 4.6421 5.4508 5.4508 6.7160 6.7160 7.5723 7.5723 8.5413 8.5413 9.0608 9.0608 9.3814 9.3814 k = 0.1720 0.2980-0.0000 ( 2753 PWs) bands (ev): -42.0339 -42.0339 -41.9938 -41.9938 -21.0777 -21.0777 -20.9734 -20.9734 -20.6015 -20.6015 -20.5113 -20.5113 -20.4373 -20.4373 -20.3885 -20.3885 -2.1524 -2.1524 4.2107 4.2107 4.5859 4.5859 5.4712 5.4712 6.6731 6.6731 7.6023 7.6023 8.5694 8.5694 9.0274 9.0274 9.3643 9.3643 k = 0.1667 0.2887-0.0000 ( 2745 PWs) bands (ev): -42.0353 -42.0353 -41.9940 -41.9940 -21.0777 -21.0777 -20.9687 -20.9687 -20.6004 -20.6004 -20.5071 -20.5071 -20.4339 -20.4339 -20.3866 -20.3866 -2.1805 -2.1805 4.2352 4.2352 4.5286 4.5286 5.4905 5.4905 6.6307 6.6307 7.6353 7.6353 8.5967 8.5967 8.9968 8.9968 9.3490 9.3490 k = 0.1613 0.2794-0.0000 ( 2745 PWs) bands (ev): -42.0367 -42.0367 -41.9942 -41.9942 -21.0776 -21.0776 -20.9640 -20.9640 -20.5994 -20.5994 -20.5028 -20.5028 -20.4305 -20.4305 -20.3848 -20.3848 -2.2089 -2.2089 4.2618 4.2618 4.4705 4.4705 5.5088 5.5088 6.5889 6.5889 7.6711 7.6711 8.6230 8.6230 8.9692 8.9692 9.3352 9.3352 k = 0.1559 0.2701-0.0000 ( 2749 PWs) bands (ev): -42.0381 -42.0381 -41.9944 -41.9944 -21.0775 -21.0775 -20.9593 -20.9593 -20.5983 -20.5983 -20.4984 -20.4984 -20.4270 -20.4270 -20.3830 -20.3830 -2.2376 -2.2376 4.2901 4.2901 4.4118 4.4118 5.5259 5.5259 6.5475 6.5475 7.7095 7.7095 8.6482 8.6482 8.9452 8.9452 9.3227 9.3227 k = 0.1505 0.2607-0.0000 ( 2751 PWs) bands (ev): -42.0395 -42.0395 -41.9947 -41.9947 -21.0775 -21.0775 -20.9546 -20.9546 -20.5972 -20.5972 -20.4939 -20.4939 -20.4236 -20.4236 -20.3813 -20.3813 -2.2665 -2.2665 4.3201 4.3201 4.3530 4.3530 5.5417 5.5417 6.5067 6.5067 7.7503 7.7503 8.6723 8.6723 8.9250 8.9250 9.3114 9.3114 k = 0.1452 0.2514-0.0000 ( 2751 PWs) bands (ev): -42.0409 -42.0409 -41.9949 -41.9949 -21.0774 -21.0774 -20.9499 -20.9499 -20.5961 -20.5961 -20.4893 -20.4893 -20.4202 -20.4202 -20.3796 -20.3796 -2.2953 -2.2953 4.2936 4.2936 4.3527 4.3527 5.5562 5.5562 6.4665 6.4665 7.7934 7.7934 8.6951 8.6951 8.9089 8.9089 9.3007 9.3007 k = 0.1398 0.2421-0.0000 ( 2751 PWs) bands (ev): -42.0422 -42.0422 -41.9952 -41.9952 -21.0774 -21.0774 -20.9453 -20.9453 -20.5950 -20.5950 -20.4847 -20.4847 -20.4167 -20.4167 -20.3779 -20.3779 -2.3242 -2.3242 4.2349 4.2349 4.3863 4.3863 5.5694 5.5694 6.4268 6.4268 7.8385 7.8385 8.7165 8.7165 8.8971 8.8971 9.2904 9.2904 k = 0.1344 0.2328-0.0000 ( 2751 PWs) bands (ev): -42.0436 -42.0436 -41.9954 -41.9954 -21.0773 -21.0773 -20.9408 -20.9408 -20.5938 -20.5938 -20.4800 -20.4800 -20.4133 -20.4133 -20.3762 -20.3762 -2.3529 -2.3529 4.1766 4.1766 4.4215 4.4215 5.5812 5.5812 6.3877 6.3877 7.8852 7.8852 8.7366 8.7366 8.8900 8.8900 9.2799 9.2799 k = 0.1290 0.2235-0.0000 ( 2751 PWs) bands (ev): -42.0449 -42.0449 -41.9957 -41.9957 -21.0773 -21.0773 -20.9363 -20.9363 -20.5926 -20.5926 -20.4754 -20.4754 -20.4100 -20.4100 -20.3746 -20.3746 -2.3813 -2.3813 4.1189 4.1189 4.4583 4.4583 5.5915 5.5915 6.3492 6.3492 7.9333 7.9333 8.7553 8.7553 8.8877 8.8877 9.2687 9.2687 k = 0.1237 0.2142-0.0000 ( 2757 PWs) bands (ev): -42.0462 -42.0462 -41.9960 -41.9960 -21.0773 -21.0773 -20.9319 -20.9319 -20.5914 -20.5914 -20.4707 -20.4707 -20.4067 -20.4067 -20.3730 -20.3730 -2.4095 -2.4095 4.0620 4.0620 4.4963 4.4963 5.6004 5.6004 6.3112 6.3112 7.9826 7.9826 8.7726 8.7726 8.8903 8.8903 9.2562 9.2562 k = 0.1183 0.2049-0.0000 ( 2757 PWs) bands (ev): -42.0474 -42.0474 -41.9963 -41.9963 -21.0774 -21.0774 -20.9276 -20.9276 -20.5902 -20.5902 -20.4661 -20.4661 -20.4035 -20.4035 -20.3713 -20.3713 -2.4372 -2.4372 4.0062 4.0062 4.5356 4.5356 5.6080 5.6080 6.2737 6.2737 8.0327 8.0327 8.7885 8.7885 8.8980 8.8980 9.2421 9.2421 k = 0.1129 0.1956-0.0000 ( 2761 PWs) bands (ev): -42.0486 -42.0486 -41.9966 -41.9966 -21.0774 -21.0774 -20.9235 -20.9235 -20.5889 -20.5889 -20.4614 -20.4614 -20.4004 -20.4004 -20.3697 -20.3697 -2.4645 -2.4645 3.9515 3.9515 4.5760 4.5760 5.6142 5.6142 6.2368 6.2368 8.0834 8.0834 8.8030 8.8030 8.9109 8.9109 9.2260 9.2260 k = 0.1075 0.1862-0.0000 ( 2763 PWs) bands (ev): -42.0498 -42.0498 -41.9969 -41.9969 -21.0775 -21.0775 -20.9194 -20.9194 -20.5877 -20.5877 -20.4569 -20.4569 -20.3974 -20.3974 -20.3681 -20.3681 -2.4912 -2.4912 3.8983 3.8983 4.6173 4.6173 5.6192 5.6192 6.2004 6.2004 8.1343 8.1343 8.8162 8.8162 8.9289 8.9289 9.2077 9.2077 k = 0.1022 0.1769-0.0000 ( 2771 PWs) bands (ev): -42.0510 -42.0510 -41.9972 -41.9972 -21.0776 -21.0776 -20.9156 -20.9156 -20.5865 -20.5865 -20.4524 -20.4524 -20.3946 -20.3946 -20.3664 -20.3664 -2.5171 -2.5171 3.8467 3.8467 4.6595 4.6595 5.6229 5.6229 6.1645 6.1645 8.1851 8.1851 8.8281 8.8281 8.9521 8.9521 9.1874 9.1874 k = 0.0968 0.1676-0.0000 ( 2771 PWs) bands (ev): -42.0521 -42.0521 -41.9975 -41.9975 -21.0777 -21.0777 -20.9118 -20.9118 -20.5852 -20.5852 -20.4479 -20.4479 -20.3921 -20.3921 -20.3646 -20.3646 -2.5423 -2.5423 3.7968 3.7968 4.7024 4.7024 5.6255 5.6255 6.1291 6.1291 8.2358 8.2358 8.8388 8.8388 8.9803 8.9803 9.1653 9.1653 k = 0.0914 0.1583-0.0000 ( 2771 PWs) bands (ev): -42.0532 -42.0532 -41.9978 -41.9978 -21.0778 -21.0778 -20.9082 -20.9082 -20.5840 -20.5840 -20.4435 -20.4435 -20.3897 -20.3897 -20.3628 -20.3628 -2.5667 -2.5667 3.7488 3.7488 4.7459 4.7459 5.6271 5.6271 6.0942 6.0942 8.2859 8.2859 8.8483 8.8483 9.0133 9.0133 9.1419 9.1419 k = 0.0860 0.1490-0.0000 ( 2775 PWs) bands (ev): -42.0542 -42.0542 -41.9981 -41.9981 -21.0779 -21.0779 -20.9048 -20.9048 -20.5828 -20.5828 -20.4392 -20.4392 -20.3876 -20.3876 -20.3610 -20.3610 -2.5901 -2.5901 3.7027 3.7027 4.7898 4.7898 5.6277 5.6277 6.0596 6.0596 8.3353 8.3353 8.8566 8.8566 9.0505 9.0505 9.1180 9.1180 k = 0.0806 0.1397-0.0000 ( 2775 PWs) bands (ev): -42.0552 -42.0552 -41.9983 -41.9983 -21.0780 -21.0780 -20.9016 -20.9016 -20.5816 -20.5816 -20.4351 -20.4351 -20.3858 -20.3858 -20.3590 -20.3590 -2.6126 -2.6126 3.6589 3.6589 4.8340 4.8340 5.6275 5.6275 6.0255 6.0255 8.3838 8.3838 8.8639 8.8639 9.0845 9.0845 9.1012 9.1012 k = 0.0753 0.1304-0.0000 ( 2783 PWs) bands (ev): -42.0561 -42.0561 -41.9986 -41.9986 -21.0782 -21.0782 -20.8985 -20.8985 -20.5805 -20.5805 -20.4310 -20.4310 -20.3843 -20.3843 -20.3570 -20.3570 -2.6339 -2.6339 3.6172 3.6172 4.8783 4.8783 5.6266 5.6266 5.9918 5.9918 8.4312 8.4312 8.8701 8.8701 9.0666 9.0666 9.1404 9.1404 k = 0.0699 0.1211-0.0000 ( 2779 PWs) bands (ev): -42.0570 -42.0570 -41.9989 -41.9989 -21.0784 -21.0784 -20.8957 -20.8957 -20.5794 -20.5794 -20.4271 -20.4271 -20.3830 -20.3830 -20.3550 -20.3550 -2.6541 -2.6541 3.5780 3.5780 4.9227 4.9227 5.6251 5.6251 5.9583 5.9583 8.4774 8.4774 8.8752 8.8752 9.0430 9.0430 9.1891 9.1892 k = 0.0645 0.1117-0.0000 ( 2775 PWs) bands (ev): -42.0578 -42.0578 -41.9991 -41.9991 -21.0785 -21.0785 -20.8930 -20.8930 -20.5784 -20.5784 -20.4233 -20.4233 -20.3820 -20.3820 -20.3529 -20.3529 -2.6731 -2.6731 3.5413 3.5413 4.9669 4.9669 5.6232 5.6232 5.9252 5.9252 8.5222 8.5222 8.8793 8.8793 9.0201 9.0201 9.2410 9.2410 k = 0.0591 0.1024-0.0000 ( 2771 PWs) bands (ev): -42.0585 -42.0585 -41.9993 -41.9993 -21.0787 -21.0787 -20.8905 -20.8905 -20.5774 -20.5774 -20.4196 -20.4196 -20.3813 -20.3813 -20.3508 -20.3508 -2.6908 -2.6908 3.5072 3.5072 5.0108 5.0108 5.6210 5.6210 5.8924 5.8924 8.5655 8.5655 8.8822 8.8822 8.9987 8.9987 9.2952 9.2952 k = 0.0538 0.0931-0.0000 ( 2767 PWs) bands (ev): -42.0592 -42.0592 -41.9995 -41.9995 -21.0788 -21.0788 -20.8882 -20.8882 -20.5764 -20.5764 -20.4160 -20.4160 -20.3809 -20.3809 -20.3489 -20.3489 -2.7072 -2.7072 3.4757 3.4757 5.0542 5.0542 5.6185 5.6185 5.8598 5.8598 8.6069 8.6069 8.8838 8.8838 8.9792 8.9792 9.3509 9.3510 k = 0.0484 0.0838-0.0000 ( 2767 PWs) bands (ev): -42.0599 -42.0599 -41.9997 -41.9997 -21.0790 -21.0790 -20.8861 -20.8861 -20.5756 -20.5756 -20.4127 -20.4127 -20.3807 -20.3807 -20.3469 -20.3469 -2.7221 -2.7221 3.4470 3.4470 5.0969 5.0969 5.6159 5.6159 5.8275 5.8275 8.6463 8.6463 8.8838 8.8838 8.9622 8.9622 9.4076 9.4076 k = 0.0430 0.0745-0.0000 ( 2769 PWs) bands (ev): -42.0604 -42.0604 -41.9999 -41.9999 -21.0791 -21.0791 -20.8843 -20.8843 -20.5748 -20.5748 -20.4095 -20.4095 -20.3807 -20.3807 -20.3452 -20.3452 -2.7357 -2.7357 3.4210 3.4210 5.1389 5.1389 5.6133 5.6133 5.7955 5.7955 8.6834 8.6834 8.8819 8.8819 8.9483 8.9483 9.4645 9.4645 k = 0.0376 0.0652-0.0000 ( 2761 PWs) bands (ev): -42.0610 -42.0610 -42.0001 -42.0001 -21.0793 -21.0793 -20.8826 -20.8826 -20.5741 -20.5741 -20.4064 -20.4064 -20.3809 -20.3809 -20.3435 -20.3435 -2.7477 -2.7477 3.3980 3.3980 5.1798 5.1798 5.6108 5.6108 5.7638 5.7638 8.7177 8.7177 8.8779 8.8779 8.9379 8.9379 9.5209 9.5209 k = 0.0323 0.0559-0.0000 ( 2775 PWs) bands (ev): -42.0614 -42.0614 -42.0002 -42.0002 -21.0794 -21.0794 -20.8812 -20.8812 -20.5735 -20.5735 -20.4036 -20.4036 -20.3814 -20.3814 -20.3421 -20.3421 -2.7583 -2.7583 3.3779 3.3779 5.2191 5.2191 5.6084 5.6084 5.7324 5.7324 8.7488 8.7488 8.8720 8.8720 8.9310 8.9310 9.5761 9.5761 k = 0.0269 0.0466-0.0000 ( 2763 PWs) bands (ev): -42.0618 -42.0618 -42.0003 -42.0003 -21.0795 -21.0795 -20.8800 -20.8800 -20.5730 -20.5730 -20.4009 -20.4009 -20.3819 -20.3819 -20.3408 -20.3408 -2.7672 -2.7672 3.3609 3.3609 5.2569 5.2569 5.6063 5.6063 5.7020 5.7020 8.7763 8.7763 8.8653 8.8653 8.9268 8.9268 9.6294 9.6294 k = 0.0215 0.0372-0.0000 ( 2769 PWs) bands (ev): -42.0621 -42.0621 -42.0004 -42.0004 -21.0796 -21.0796 -20.8790 -20.8790 -20.5726 -20.5726 -20.3985 -20.3985 -20.3827 -20.3827 -20.3397 -20.3397 -2.7746 -2.7746 3.3468 3.3468 5.2921 5.2921 5.6044 5.6044 5.6728 5.6728 8.7996 8.7996 8.8586 8.8586 8.9243 8.9243 9.6803 9.6804 k = 0.0161 0.0279-0.0000 ( 2769 PWs) bands (ev): -42.0623 -42.0623 -42.0005 -42.0005 -21.0797 -21.0797 -20.8783 -20.8783 -20.5722 -20.5722 -20.3963 -20.3963 -20.3836 -20.3836 -20.3388 -20.3388 -2.7804 -2.7804 3.3359 3.3359 5.3239 5.3239 5.6030 5.6030 5.6459 5.6459 8.8181 8.8181 8.8531 8.8531 8.9229 8.9229 9.7282 9.7282 k = 0.0108 0.0186-0.0000 ( 2765 PWs) bands (ev): -42.0625 -42.0625 -42.0006 -42.0006 -21.0797 -21.0797 -20.8777 -20.8777 -20.5720 -20.5720 -20.3945 -20.3945 -20.3845 -20.3845 -20.3382 -20.3382 -2.7845 -2.7845 3.3281 3.3281 5.3503 5.3503 5.6019 5.6019 5.6231 5.6231 8.8310 8.8310 8.8496 8.8496 8.9222 8.9222 9.7725 9.7725 k = 0.0054 0.0093-0.0000 ( 2767 PWs) bands (ev): -42.0626 -42.0626 -42.0006 -42.0006 -21.0798 -21.0798 -20.8774 -20.8774 -20.5718 -20.5718 -20.3931 -20.3931 -20.3853 -20.3853 -20.3378 -20.3378 -2.7870 -2.7870 3.3233 3.3233 5.3685 5.3685 5.6013 5.6013 5.6070 5.6070 8.8373 8.8373 8.8489 8.8489 8.9218 8.9218 9.8114 9.8114 k = 0.0000 0.0000 0.0000 ( 2759 PWs) bands (ev): -42.0626 -42.0626 -42.0006 -42.0006 -21.0798 -21.0798 -20.8772 -20.8772 -20.5718 -20.5718 -20.3926 -20.3926 -20.3856 -20.3856 -20.3377 -20.3377 -2.7878 -2.7878 3.3218 3.3218 5.3751 5.3751 5.6009 5.6009 5.6014 5.6014 8.8386 8.8386 8.8495 8.8495 8.9217 8.9217 9.8332 9.8334 k = 0.0000 0.0000 0.0000 ( 2759 PWs) bands (ev): -42.0626 -42.0626 -42.0006 -42.0006 -21.0798 -21.0798 -20.8772 -20.8772 -20.5718 -20.5718 -20.3926 -20.3926 -20.3856 -20.3856 -20.3377 -20.3377 -2.7878 -2.7878 3.3218 3.3218 5.3751 5.3751 5.6009 5.6009 5.6014 5.6014 8.8386 8.8386 8.8495 8.8495 8.9217 8.9217 9.8332 9.8333 k = 0.0000 0.0000 0.0105 ( 2759 PWs) bands (ev): -42.0626 -42.0626 -42.0006 -42.0006 -21.0797 -21.0797 -20.8772 -20.8772 -20.5717 -20.5717 -20.3926 -20.3926 -20.3856 -20.3856 -20.3377 -20.3377 -2.7877 -2.7877 3.3203 3.3203 5.3782 5.3782 5.6008 5.6008 5.6014 5.6014 8.8385 8.8385 8.8494 8.8494 8.9194 8.9194 9.8316 9.8461 k = 0.0000 0.0000 0.0211 ( 2753 PWs) bands (ev): -42.0626 -42.0626 -42.0006 -42.0006 -21.0797 -21.0797 -20.8773 -20.8773 -20.5717 -20.5717 -20.3926 -20.3926 -20.3856 -20.3856 -20.3377 -20.3377 -2.7875 -2.7875 3.3159 3.3159 5.3873 5.3873 5.6008 5.6008 5.6013 5.6013 8.8382 8.8382 8.8491 8.8491 8.9125 8.9125 9.8270 9.8271 k = 0.0000 0.0000 0.0316 ( 2753 PWs) bands (ev): -42.0626 -42.0626 -42.0006 -42.0006 -21.0796 -21.0796 -20.8773 -20.8773 -20.5717 -20.5717 -20.3926 -20.3926 -20.3857 -20.3857 -20.3377 -20.3377 -2.7871 -2.7871 3.3086 3.3086 5.4023 5.4023 5.6007 5.6007 5.6012 5.6012 8.8378 8.8378 8.8484 8.8484 8.9010 8.9010 9.8195 9.8196 k = 0.0000 0.0000 0.0421 ( 2741 PWs) bands (ev): -42.0626 -42.0626 -42.0006 -42.0006 -21.0795 -21.0795 -20.8773 -20.8773 -20.5716 -20.5716 -20.3926 -20.3926 -20.3857 -20.3857 -20.3377 -20.3377 -2.7866 -2.7866 3.2988 3.2988 5.4229 5.4229 5.6006 5.6006 5.6012 5.6012 8.8372 8.8372 8.8473 8.8473 8.8853 8.8853 9.8096 9.8097 k = 0.0000 0.0000 0.0526 ( 2753 PWs) bands (ev): -42.0626 -42.0626 -42.0006 -42.0006 -21.0795 -21.0795 -20.8773 -20.8773 -20.5716 -20.5716 -20.3926 -20.3926 -20.3858 -20.3858 -20.3377 -20.3377 -2.7859 -2.7859 3.2865 3.2865 5.4488 5.4488 5.6004 5.6004 5.6009 5.6009 8.8364 8.8364 8.8448 8.8448 8.8659 8.8659 9.7976 9.7977 k = 0.0000 0.0000 0.0632 ( 2759 PWs) bands (ev): -42.0626 -42.0626 -42.0006 -42.0006 -21.0794 -21.0794 -20.8774 -20.8774 -20.5716 -20.5716 -20.3927 -20.3927 -20.3859 -20.3859 -20.3377 -20.3377 -2.7851 -2.7851 3.2722 3.2722 5.4795 5.4795 5.6001 5.6001 5.6006 5.6006 8.8327 8.8327 8.8355 8.8355 8.8514 8.8514 9.7841 9.7842 k = 0.0000 0.0000 0.0737 ( 2753 PWs) bands (ev): -42.0626 -42.0626 -42.0006 -42.0006 -21.0793 -21.0793 -20.8774 -20.8774 -20.5716 -20.5716 -20.3927 -20.3927 -20.3859 -20.3859 -20.3377 -20.3377 -2.7841 -2.7841 3.2563 3.2563 5.5147 5.5147 5.6000 5.6000 5.6005 5.6005 8.8051 8.8051 8.8345 8.8345 8.8478 8.8478 9.7696 9.7696 k = 0.0000 0.0000 0.0842 ( 2759 PWs) bands (ev): -42.0626 -42.0626 -42.0007 -42.0007 -21.0792 -21.0792 -20.8776 -20.8776 -20.5715 -20.5715 -20.3926 -20.3926 -20.3861 -20.3861 -20.3377 -20.3377 -2.7831 -2.7831 3.2390 3.2390 5.5537 5.5537 5.5998 5.5998 5.6003 5.6003 8.7712 8.7712 8.8334 8.8334 8.8460 8.8460 9.7545 9.7546 k = 0.0000 0.0000 0.0947 ( 2771 PWs) bands (ev): -42.0626 -42.0626 -42.0007 -42.0007 -21.0791 -21.0791 -20.8777 -20.8777 -20.5715 -20.5715 -20.3927 -20.3927 -20.3863 -20.3863 -20.3377 -20.3377 -2.7820 -2.7820 3.2209 3.2209 5.5957 5.5957 5.5999 5.5999 5.6000 5.6000 8.7329 8.7329 8.8321 8.8321 8.8445 8.8445 9.7395 9.7395 k = 0.0000 0.0000 0.1053 ( 2783 PWs) bands (ev): -42.0626 -42.0626 -42.0007 -42.0007 -21.0790 -21.0790 -20.8778 -20.8778 -20.5714 -20.5714 -20.3927 -20.3927 -20.3865 -20.3865 -20.3378 -20.3378 -2.7809 -2.7809 3.2021 3.2021 5.5992 5.5992 5.5997 5.5997 5.6412 5.6412 8.6909 8.6909 8.8309 8.8309 8.8430 8.8430 9.7247 9.7247 k = 0.0000 0.0000 0.1158 ( 2777 PWs) bands (ev): -42.0626 -42.0626 -42.0007 -42.0007 -21.0788 -21.0788 -20.8779 -20.8779 -20.5713 -20.5713 -20.3927 -20.3927 -20.3866 -20.3866 -20.3378 -20.3378 -2.7796 -2.7796 3.1833 3.1833 5.5990 5.5990 5.5995 5.5995 5.6885 5.6885 8.6458 8.6458 8.8295 8.8295 8.8416 8.8416 9.7106 9.7106 k = 0.0000 0.0000 0.1263 ( 2783 PWs) bands (ev): -42.0626 -42.0626 -42.0007 -42.0007 -21.0787 -21.0787 -20.8780 -20.8780 -20.5713 -20.5713 -20.3927 -20.3927 -20.3867 -20.3867 -20.3378 -20.3378 -2.7784 -2.7784 3.1645 3.1645 5.5987 5.5987 5.5992 5.5992 5.7373 5.7373 8.5982 8.5982 8.8282 8.8282 8.8402 8.8402 9.6974 9.6974 k = 0.0000 0.0000 0.1369 ( 2807 PWs) bands (ev): -42.0626 -42.0626 -42.0007 -42.0007 -21.0786 -21.0786 -20.8782 -20.8782 -20.5713 -20.5713 -20.3927 -20.3927 -20.3870 -20.3870 -20.3379 -20.3379 -2.7772 -2.7772 3.1461 3.1461 5.5983 5.5983 5.5988 5.5988 5.7868 5.7868 8.5488 8.5488 8.8267 8.8267 8.8387 8.8387 9.6851 9.6851 k = 0.0000 0.0000 0.1474 ( 2807 PWs) bands (ev): -42.0626 -42.0626 -42.0007 -42.0007 -21.0785 -21.0785 -20.8782 -20.8782 -20.5712 -20.5712 -20.3927 -20.3927 -20.3871 -20.3871 -20.3379 -20.3379 -2.7760 -2.7760 3.1285 3.1285 5.5981 5.5981 5.5986 5.5986 5.8365 5.8365 8.4986 8.4986 8.8254 8.8254 8.8374 8.8374 9.6740 9.6740 k = 0.0000 0.0000 0.1579 ( 2807 PWs) bands (ev): -42.0626 -42.0626 -42.0007 -42.0007 -21.0783 -21.0783 -20.8783 -20.8783 -20.5711 -20.5711 -20.3927 -20.3927 -20.3872 -20.3872 -20.3379 -20.3379 -2.7748 -2.7748 3.1118 3.1118 5.5979 5.5979 5.5984 5.5984 5.8856 5.8856 8.4484 8.4484 8.8241 8.8241 8.8361 8.8361 9.6641 9.6641 k = 0.0000 0.0000 0.1684 ( 2807 PWs) bands (ev): -42.0626 -42.0626 -42.0007 -42.0007 -21.0782 -21.0782 -20.8784 -20.8784 -20.5710 -20.5710 -20.3927 -20.3927 -20.3874 -20.3874 -20.3379 -20.3379 -2.7737 -2.7737 3.0962 3.0962 5.5977 5.5977 5.5982 5.5982 5.9331 5.9331 8.3993 8.3993 8.8229 8.8229 8.8349 8.8349 9.6553 9.6553 k = 0.0000 0.0000 0.1790 ( 2819 PWs) bands (ev): -42.0626 -42.0626 -42.0007 -42.0007 -21.0782 -21.0782 -20.8785 -20.8785 -20.5710 -20.5710 -20.3927 -20.3927 -20.3875 -20.3875 -20.3379 -20.3379 -2.7727 -2.7727 3.0819 3.0819 5.5975 5.5975 5.5980 5.5980 5.9781 5.9781 8.3522 8.3522 8.8218 8.8218 8.8338 8.8338 9.6476 9.6476 k = 0.0000 0.0000 0.1895 ( 2819 PWs) bands (ev): -42.0626 -42.0626 -42.0007 -42.0007 -21.0780 -21.0780 -20.8786 -20.8786 -20.5710 -20.5710 -20.3927 -20.3927 -20.3876 -20.3876 -20.3379 -20.3379 -2.7718 -2.7718 3.0693 3.0693 5.5973 5.5973 5.5978 5.5978 6.0201 6.0201 8.3082 8.3082 8.8208 8.8208 8.8327 8.8327 9.6411 9.6411 k = 0.0000 0.0000 0.2000 ( 2801 PWs) bands (ev): -42.0625 -42.0625 -42.0007 -42.0007 -21.0779 -21.0779 -20.8786 -20.8786 -20.5708 -20.5708 -20.3927 -20.3927 -20.3877 -20.3877 -20.3379 -20.3379 -2.7709 -2.7709 3.0585 3.0585 5.5973 5.5973 5.5978 5.5978 6.0579 6.0579 8.2685 8.2685 8.8200 8.8200 8.8319 8.8319 9.6357 9.6357 k = 0.0000 0.0000 0.2105 ( 2800 PWs) bands (ev): -42.0625 -42.0625 -42.0007 -42.0007 -21.0778 -21.0778 -20.8786 -20.8786 -20.5708 -20.5708 -20.3927 -20.3927 -20.3877 -20.3877 -20.3379 -20.3379 -2.7702 -2.7702 3.0494 3.0494 5.5971 5.5971 5.5976 5.5976 6.0905 6.0905 8.2341 8.2341 8.8192 8.8192 8.8311 8.8311 9.6313 9.6313 k = 0.0000 0.0000 0.2211 ( 2800 PWs) bands (ev): -42.0625 -42.0625 -42.0007 -42.0007 -21.0777 -21.0777 -20.8787 -20.8787 -20.5708 -20.5708 -20.3927 -20.3927 -20.3878 -20.3878 -20.3379 -20.3379 -2.7697 -2.7697 3.0422 3.0422 5.5970 5.5970 5.5975 5.5975 6.1170 6.1170 8.2061 8.2061 8.8186 8.8186 8.8305 8.8305 9.6279 9.6279 k = 0.0000 0.0000 0.2316 ( 2800 PWs) bands (ev): -42.0625 -42.0625 -42.0007 -42.0007 -21.0777 -21.0777 -20.8787 -20.8787 -20.5707 -20.5707 -20.3927 -20.3927 -20.3879 -20.3879 -20.3379 -20.3379 -2.7693 -2.7693 3.0370 3.0370 5.5970 5.5970 5.5975 5.5975 6.1367 6.1367 8.1853 8.1853 8.8182 8.8182 8.8301 8.8301 9.6255 9.6255 k = 0.0000 0.0000 0.2421 ( 2800 PWs) bands (ev): -42.0625 -42.0625 -42.0007 -42.0007 -21.0777 -21.0777 -20.8787 -20.8787 -20.5707 -20.5707 -20.3927 -20.3927 -20.3879 -20.3879 -20.3379 -20.3379 -2.7690 -2.7690 3.0339 3.0339 5.5969 5.5969 5.5974 5.5974 6.1487 6.1487 8.1726 8.1726 8.8180 8.8180 8.8299 8.8299 9.6241 9.6241 k = 0.0000 0.0000 0.2526 ( 2800 PWs) bands (ev): -42.0625 -42.0625 -42.0007 -42.0007 -21.0777 -21.0777 -20.8787 -20.8787 -20.5707 -20.5707 -20.3927 -20.3927 -20.3879 -20.3879 -20.3379 -20.3379 -2.7689 -2.7689 3.0329 3.0329 5.5969 5.5969 5.5974 5.5974 6.1528 6.1528 8.1683 8.1683 8.8179 8.8179 8.8298 8.8298 9.6236 9.6236 k = 0.0000 0.0000 0.2526 ( 2800 PWs) bands (ev): -42.0625 -42.0625 -42.0007 -42.0007 -21.0777 -21.0777 -20.8787 -20.8787 -20.5707 -20.5707 -20.3927 -20.3927 -20.3879 -20.3879 -20.3379 -20.3379 -2.7689 -2.7689 3.0329 3.0329 5.5969 5.5969 5.5974 5.5974 6.1528 6.1528 8.1683 8.1683 8.8179 8.8179 8.8298 8.8298 9.6236 9.6236 k = 0.0093 0.0053 0.2526 ( 2800 PWs) bands (ev): -42.0625 -42.0625 -42.0007 -42.0007 -21.0777 -21.0777 -20.8788 -20.8788 -20.5708 -20.5708 -20.3933 -20.3933 -20.3874 -20.3874 -20.3380 -20.3380 -2.7681 -2.7681 3.0345 3.0345 5.5943 5.5943 5.5974 5.5974 6.1535 6.1535 8.1696 8.1696 8.8172 8.8172 8.8294 8.8294 9.6249 9.6249 k = 0.0185 0.0107 0.2526 ( 2802 PWs) bands (ev): -42.0624 -42.0624 -42.0007 -42.0007 -21.0776 -21.0776 -20.8792 -20.8792 -20.5709 -20.5709 -20.3949 -20.3949 -20.3864 -20.3864 -20.3384 -20.3384 -2.7657 -2.7657 3.0392 3.0392 5.5857 5.5857 5.5980 5.5980 6.1554 6.1554 8.1734 8.1734 8.8133 8.8133 8.8301 8.8301 9.6287 9.6287 k = 0.0278 0.0160 0.2526 ( 2798 PWs) bands (ev): -42.0622 -42.0622 -42.0006 -42.0006 -21.0776 -21.0776 -20.8797 -20.8797 -20.5711 -20.5711 -20.3969 -20.3969 -20.3853 -20.3853 -20.3390 -20.3390 -2.7618 -2.7618 3.0472 3.0472 5.5718 5.5718 5.5992 5.5992 6.1588 6.1588 8.1796 8.1796 8.8045 8.8045 8.8336 8.8336 9.6351 9.6351 k = 0.0370 0.0214 0.2526 ( 2790 PWs) bands (ev): -42.0620 -42.0620 -42.0006 -42.0006 -21.0775 -21.0775 -20.8804 -20.8804 -20.5715 -20.5715 -20.3991 -20.3991 -20.3843 -20.3843 -20.3398 -20.3398 -2.7562 -2.7562 3.0584 3.0584 5.5525 5.5525 5.6008 5.6008 6.1635 6.1635 8.1879 8.1879 8.7909 8.7909 8.8397 8.8397 9.6439 9.6439 k = 0.0463 0.0267 0.2526 ( 2794 PWs) bands (ev): -42.0617 -42.0617 -42.0005 -42.0005 -21.0774 -21.0774 -20.8814 -20.8814 -20.5719 -20.5719 -20.4016 -20.4016 -20.3834 -20.3834 -20.3409 -20.3409 -2.7491 -2.7491 3.0726 3.0726 5.5281 5.5281 5.6027 5.6027 6.1696 6.1696 8.1980 8.1980 8.7729 8.7729 8.8479 8.8479 9.6550 9.6550 k = 0.0556 0.0321 0.2526 ( 2790 PWs) bands (ev): -42.0613 -42.0613 -42.0003 -42.0003 -21.0773 -21.0773 -20.8826 -20.8826 -20.5724 -20.5724 -20.4043 -20.4043 -20.3828 -20.3828 -20.3421 -20.3421 -2.7404 -2.7404 3.0900 3.0900 5.4991 5.4991 5.6050 5.6050 6.1771 6.1771 8.2095 8.2095 8.7509 8.7509 8.8580 8.8580 9.6682 9.6682 k = 0.0648 0.0374 0.2526 ( 2798 PWs) bands (ev): -42.0609 -42.0609 -42.0002 -42.0002 -21.0773 -21.0773 -20.8840 -20.8840 -20.5730 -20.5730 -20.4072 -20.4072 -20.3823 -20.3823 -20.3436 -20.3436 -2.7302 -2.7302 3.1105 3.1105 5.4657 5.4657 5.6077 5.6077 6.1860 6.1860 8.2218 8.2218 8.7248 8.7248 8.8699 8.8699 9.6828 9.6828 k = 0.0741 0.0428 0.2526 ( 2794 PWs) bands (ev): -42.0604 -42.0604 -42.0000 -42.0000 -21.0772 -21.0772 -20.8856 -20.8856 -20.5737 -20.5737 -20.4102 -20.4102 -20.3820 -20.3820 -20.3452 -20.3452 -2.7186 -2.7186 3.1339 3.1339 5.4284 5.4284 5.6107 5.6107 6.1963 6.1963 8.2346 8.2346 8.6948 8.6948 8.8836 8.8836 9.6970 9.6970 k = 0.0833 0.0481 0.2526 ( 2794 PWs) bands (ev): -42.0598 -42.0598 -41.9999 -41.9999 -21.0770 -21.0770 -20.8874 -20.8874 -20.5745 -20.5745 -20.4134 -20.4134 -20.3820 -20.3820 -20.3469 -20.3469 -2.7055 -2.7055 3.1604 3.1604 5.3876 5.3876 5.6140 5.6140 6.2080 6.2080 8.2474 8.2474 8.6610 8.6610 8.8990 8.8990 9.7058 9.7058 k = 0.0926 0.0535 0.2526 ( 2780 PWs) bands (ev): -42.0592 -42.0592 -41.9997 -41.9997 -21.0769 -21.0769 -20.8894 -20.8894 -20.5753 -20.5753 -20.4167 -20.4167 -20.3821 -20.3821 -20.3488 -20.3488 -2.6910 -2.6910 3.1898 3.1898 5.3439 5.3439 5.6176 5.6176 6.2211 6.2211 8.2596 8.2596 8.6240 8.6240 8.9161 8.9161 9.7006 9.7006 k = 0.1019 0.0588 0.2526 ( 2780 PWs) bands (ev): -42.0585 -42.0585 -41.9995 -41.9995 -21.0768 -21.0768 -20.8917 -20.8917 -20.5762 -20.5762 -20.4202 -20.4202 -20.3825 -20.3825 -20.3507 -20.3507 -2.6752 -2.6752 3.2220 3.2220 5.2975 5.2975 5.6214 5.6214 6.2356 6.2356 8.2707 8.2707 8.5840 8.5840 8.9347 8.9347 9.6823 9.6823 k = 0.1111 0.0642 0.2526 ( 2784 PWs) bands (ev): -42.0577 -42.0577 -41.9992 -41.9992 -21.0766 -21.0766 -20.8941 -20.8941 -20.5772 -20.5772 -20.4238 -20.4238 -20.3833 -20.3833 -20.3527 -20.3527 -2.6581 -2.6581 3.2569 3.2569 5.2489 5.2489 5.6253 5.6253 6.2514 6.2514 8.2801 8.2801 8.5419 8.5419 8.9548 8.9548 9.6587 9.6587 k = 0.1204 0.0695 0.2526 ( 2782 PWs) bands (ev): -42.0569 -42.0569 -41.9990 -41.9990 -21.0765 -21.0765 -20.8968 -20.8968 -20.5782 -20.5782 -20.4276 -20.4276 -20.3843 -20.3843 -20.3546 -20.3546 -2.6398 -2.6398 3.2945 3.2945 5.1985 5.1985 5.6294 5.6294 6.2685 6.2685 8.2866 8.2866 8.4987 8.4987 8.9763 8.9763 9.6338 9.6338 k = 0.1296 0.0748 0.2526 ( 2784 PWs) bands (ev): -42.0560 -42.0560 -41.9987 -41.9987 -21.0764 -21.0764 -20.8996 -20.8996 -20.5793 -20.5793 -20.4314 -20.4314 -20.3856 -20.3856 -20.3566 -20.3566 -2.6203 -2.6203 3.3347 3.3347 5.1468 5.1468 5.6335 5.6335 6.2868 6.2868 8.2883 8.2883 8.4566 8.4566 8.9992 8.9992 9.6089 9.6089 k = 0.1389 0.0802 0.2526 ( 2780 PWs) bands (ev): -42.0551 -42.0551 -41.9985 -41.9985 -21.0763 -21.0763 -20.9026 -20.9026 -20.5804 -20.5804 -20.4354 -20.4354 -20.3872 -20.3872 -20.3584 -20.3584 -2.5996 -2.5996 3.3773 3.3773 5.0941 5.0941 5.6377 5.6377 6.3063 6.3063 8.2815 8.2815 8.4197 8.4197 9.0234 9.0234 9.5847 9.5847 k = 0.1481 0.0855 0.2526 ( 2776 PWs) bands (ev): -42.0542 -42.0542 -41.9982 -41.9982 -21.0762 -21.0762 -20.9058 -20.9058 -20.5815 -20.5815 -20.4394 -20.4394 -20.3891 -20.3891 -20.3602 -20.3602 -2.5779 -2.5779 3.4221 3.4221 5.0409 5.0409 5.6419 5.6419 6.3270 6.3270 8.2608 8.2608 8.3936 8.3936 9.0488 9.0488 9.5616 9.5616 k = 0.1574 0.0909 0.2526 ( 2772 PWs) bands (ev): -42.0532 -42.0532 -41.9979 -41.9979 -21.0761 -21.0761 -20.9092 -20.9092 -20.5827 -20.5827 -20.4436 -20.4436 -20.3914 -20.3914 -20.3618 -20.3618 -2.5553 -2.5553 3.4691 3.4691 4.9874 4.9874 5.6460 5.6460 6.3488 6.3488 8.2248 8.2248 8.3801 8.3801 9.0753 9.0753 9.5396 9.5396 k = 0.1667 0.0962 0.2526 ( 2768 PWs) bands (ev): -42.0521 -42.0521 -41.9976 -41.9976 -21.0760 -21.0760 -20.9128 -20.9128 -20.5839 -20.5839 -20.4478 -20.4478 -20.3940 -20.3940 -20.3634 -20.3634 -2.5317 -2.5317 3.5179 3.5179 4.9340 4.9340 5.6500 5.6500 6.3717 6.3717 8.1785 8.1785 8.3746 8.3746 9.1029 9.1029 9.5191 9.5191 k = 0.1759 0.1016 0.2526 ( 2768 PWs) bands (ev): -42.0510 -42.0510 -41.9973 -41.9973 -21.0760 -21.0760 -20.9165 -20.9165 -20.5852 -20.5852 -20.4521 -20.4521 -20.3968 -20.3968 -20.3648 -20.3648 -2.5074 -2.5074 3.5684 3.5684 4.8810 4.8810 5.6538 5.6538 6.3955 6.3955 8.1267 8.1267 8.3726 8.3726 9.1315 9.1315 9.4999 9.4999 k = 0.1852 0.1069 0.2526 ( 2774 PWs) bands (ev): -42.0499 -42.0499 -41.9970 -41.9970 -21.0760 -21.0760 -20.9205 -20.9205 -20.5864 -20.5864 -20.4565 -20.4565 -20.3998 -20.3998 -20.3662 -20.3662 -2.4823 -2.4823 3.6203 3.6203 4.8289 4.8289 5.6574 5.6574 6.4204 6.4204 8.0720 8.0720 8.3719 8.3719 9.1610 9.1610 9.4824 9.4824 k = 0.1944 0.1123 0.2526 ( 2776 PWs) bands (ev): -42.0487 -42.0487 -41.9967 -41.9967 -21.0760 -21.0760 -20.9245 -20.9245 -20.5877 -20.5877 -20.4609 -20.4609 -20.4031 -20.4031 -20.3675 -20.3675 -2.4565 -2.4565 3.6732 3.6732 4.7781 4.7781 5.6608 5.6608 6.4462 6.4462 8.0161 8.0161 8.3715 8.3715 9.1914 9.1914 9.4664 9.4664 k = 0.2037 0.1176 0.2526 ( 2768 PWs) bands (ev): -42.0475 -42.0475 -41.9964 -41.9964 -21.0760 -21.0760 -20.9287 -20.9287 -20.5889 -20.5889 -20.4654 -20.4654 -20.4065 -20.4065 -20.3687 -20.3687 -2.4302 -2.4302 3.7266 3.7266 4.7291 4.7291 5.6639 5.6639 6.4729 6.4729 7.9596 7.9596 8.3709 8.3709 9.2228 9.2228 9.4520 9.4520 k = 0.2130 0.1230 0.2526 ( 2764 PWs) bands (ev): -42.0463 -42.0463 -41.9962 -41.9962 -21.0761 -21.0761 -20.9330 -20.9330 -20.5901 -20.5901 -20.4698 -20.4698 -20.4099 -20.4099 -20.3698 -20.3698 -2.4034 -2.4034 3.7799 3.7799 4.6824 4.6824 5.6668 5.6668 6.5004 6.5004 7.9031 7.9031 8.3701 8.3701 9.2550 9.2550 9.4394 9.4394 k = 0.2222 0.1283 0.2526 ( 2760 PWs) bands (ev): -42.0450 -42.0450 -41.9959 -41.9959 -21.0762 -21.0762 -20.9375 -20.9375 -20.5913 -20.5913 -20.4743 -20.4743 -20.4134 -20.4134 -20.3709 -20.3709 -2.3763 -2.3763 3.8323 3.8323 4.6390 4.6390 5.6694 5.6694 6.5288 6.5288 7.8468 7.8468 8.3688 8.3688 9.2880 9.2880 9.4286 9.4286 k = 0.2315 0.1336 0.2526 ( 2756 PWs) bands (ev): -42.0437 -42.0437 -41.9956 -41.9956 -21.0763 -21.0763 -20.9420 -20.9420 -20.5925 -20.5925 -20.4788 -20.4788 -20.4170 -20.4170 -20.3721 -20.3721 -2.3489 -2.3489 3.8826 3.8826 4.5999 4.5999 5.6717 5.6717 6.5580 6.5580 7.7913 7.7913 8.3672 8.3672 9.3217 9.3217 9.4195 9.4195 k = 0.2407 0.1390 0.2526 ( 2748 PWs) bands (ev): -42.0424 -42.0424 -41.9953 -41.9953 -21.0764 -21.0764 -20.9467 -20.9467 -20.5935 -20.5935 -20.4833 -20.4833 -20.4206 -20.4206 -20.3732 -20.3732 -2.3212 -2.3212 3.9294 3.9294 4.5666 4.5666 5.6736 5.6736 6.5881 6.5881 7.7366 7.7366 8.3654 8.3654 9.3561 9.3561 9.4125 9.4125 k = 0.2500 0.1443 0.2526 ( 2748 PWs) bands (ev): -42.0411 -42.0411 -41.9951 -41.9951 -21.0766 -21.0766 -20.9515 -20.9515 -20.5946 -20.5946 -20.4877 -20.4877 -20.4242 -20.4242 -20.3743 -20.3743 -2.2935 -2.2935 3.9703 3.9703 4.5411 4.5411 5.6751 5.6751 6.6189 6.6189 7.6830 7.6830 8.3633 8.3633 9.3895 9.3895 9.4090 9.4090 k = 0.2593 0.1497 0.2526 ( 2740 PWs) bands (ev): -42.0398 -42.0398 -41.9948 -41.9948 -21.0767 -21.0767 -20.9563 -20.9563 -20.5956 -20.5956 -20.4922 -20.4922 -20.4278 -20.4278 -20.3754 -20.3754 -2.2657 -2.2657 4.0029 4.0029 4.5259 4.5259 5.6763 5.6763 6.6506 6.6506 7.6307 7.6307 8.3611 8.3611 9.4002 9.4002 9.4310 9.4310 k = 0.2685 0.1550 0.2526 ( 2740 PWs) bands (ev): -42.0384 -42.0384 -41.9946 -41.9946 -21.0769 -21.0769 -20.9612 -20.9612 -20.5966 -20.5966 -20.4966 -20.4966 -20.4313 -20.4313 -20.3764 -20.3764 -2.2381 -2.2381 4.0245 4.0245 4.5234 4.5234 5.6771 5.6771 6.6831 6.6831 7.5799 7.5799 8.3587 8.3587 9.3991 9.3991 9.4674 9.4674 k = 0.2778 0.1604 0.2526 ( 2748 PWs) bands (ev): -42.0371 -42.0371 -41.9944 -41.9944 -21.0772 -21.0772 -20.9662 -20.9662 -20.5975 -20.5975 -20.5010 -20.5010 -20.4348 -20.4348 -20.3775 -20.3775 -2.2107 -2.2107 4.0337 4.0337 4.5346 4.5346 5.6775 5.6775 6.7165 6.7165 7.5307 7.5307 8.3562 8.3562 9.3991 9.3991 9.5054 9.5054 k = 0.2870 0.1657 0.2526 ( 2748 PWs) bands (ev): -42.0357 -42.0357 -41.9942 -41.9942 -21.0774 -21.0774 -20.9711 -20.9711 -20.5983 -20.5983 -20.5053 -20.5053 -20.4381 -20.4381 -20.3786 -20.3786 -2.1835 -2.1835 4.0312 4.0312 4.5589 4.5589 5.6776 5.6776 6.7509 6.7509 7.4832 7.4832 8.3537 8.3537 9.4006 9.4006 9.5444 9.5444 k = 0.2963 0.1711 0.2526 ( 2756 PWs) bands (ev): -42.0344 -42.0344 -41.9940 -41.9940 -21.0777 -21.0777 -20.9762 -20.9762 -20.5991 -20.5991 -20.5096 -20.5096 -20.4414 -20.4414 -20.3797 -20.3797 -2.1567 -2.1567 4.0191 4.0191 4.5939 4.5939 5.6773 5.6773 6.7863 6.7863 7.4375 7.4375 8.3511 8.3511 9.4038 9.4038 9.5843 9.5843 k = 0.3056 0.1764 0.2526 ( 2754 PWs) bands (ev): -42.0330 -42.0330 -41.9938 -41.9938 -21.0779 -21.0779 -20.9811 -20.9811 -20.5997 -20.5997 -20.5138 -20.5138 -20.4446 -20.4446 -20.3807 -20.3807 -2.1304 -2.1304 4.0003 4.0003 4.6364 4.6364 5.6768 5.6768 6.8228 6.8228 7.3938 7.3938 8.3484 8.3484 9.4086 9.4086 9.6251 9.6251 k = 0.3148 0.1818 0.2526 ( 2756 PWs) bands (ev): -42.0317 -42.0317 -41.9937 -41.9937 -21.0781 -21.0781 -20.9861 -20.9861 -20.6003 -20.6003 -20.5179 -20.5179 -20.4477 -20.4477 -20.3818 -20.3818 -2.1046 -2.1046 3.9772 3.9772 4.6838 4.6838 5.6760 5.6760 6.8606 6.8606 7.3522 7.3522 8.3454 8.3454 9.4151 9.4151 9.6667 9.6667 k = 0.3241 0.1871 0.2526 ( 2760 PWs) bands (ev): -42.0304 -42.0304 -41.9936 -41.9936 -21.0783 -21.0783 -20.9911 -20.9911 -20.6008 -20.6008 -20.5219 -20.5219 -20.4507 -20.4507 -20.3828 -20.3828 -2.0795 -2.0795 3.9516 3.9516 4.7340 4.7340 5.6749 5.6749 6.8995 6.8995 7.3128 7.3128 8.3421 8.3421 9.4232 9.4232 9.7090 9.7090 k = 0.3333 0.1925 0.2526 ( 2760 PWs) bands (ev): -42.0291 -42.0291 -41.9935 -41.9935 -21.0785 -21.0785 -20.9960 -20.9960 -20.6012 -20.6012 -20.5259 -20.5259 -20.4535 -20.4535 -20.3838 -20.3838 -2.0551 -2.0551 3.9248 3.9248 4.7853 4.7853 5.6737 5.6737 6.9397 6.9397 7.2758 7.2758 8.3383 8.3383 9.4327 9.4327 9.7520 9.7520 k = 0.3426 0.1978 0.2526 ( 2756 PWs) bands (ev): -42.0278 -42.0278 -41.9934 -41.9934 -21.0786 -21.0786 -21.0008 -21.0008 -20.6015 -20.6015 -20.5297 -20.5297 -20.4561 -20.4561 -20.3848 -20.3848 -2.0315 -2.0315 3.8977 3.8977 4.8366 4.8366 5.6723 5.6723 6.9810 6.9810 7.2415 7.2415 8.3339 8.3339 9.4438 9.4438 9.7955 9.7955 k = 0.3519 0.2031 0.2526 ( 2752 PWs) bands (ev): -42.0265 -42.0265 -41.9934 -41.9934 -21.0787 -21.0787 -21.0055 -21.0055 -20.6018 -20.6018 -20.5334 -20.5334 -20.4587 -20.4587 -20.3857 -20.3857 -2.0088 -2.0088 3.8708 3.8708 4.8871 4.8871 5.6707 5.6707 7.0226 7.0226 7.2107 7.2107 8.3286 8.3286 9.4562 9.4562 9.8395 9.8395 k = 0.3611 0.2085 0.2526 ( 2756 PWs) bands (ev): -42.0253 -42.0253 -41.9933 -41.9933 -21.0788 -21.0788 -21.0102 -21.0102 -20.6019 -20.6019 -20.5370 -20.5370 -20.4611 -20.4611 -20.3867 -20.3867 -1.9871 -1.9871 3.8447 3.8447 4.9359 4.9359 5.6689 5.6689 7.0622 7.0622 7.1860 7.1860 8.3223 8.3223 9.4698 9.4698 9.8838 9.8838 k = 0.3704 0.2138 0.2526 ( 2760 PWs) bands (ev): -42.0242 -42.0242 -41.9933 -41.9933 -21.0788 -21.0788 -21.0148 -21.0148 -20.6020 -20.6020 -20.5404 -20.5404 -20.4633 -20.4633 -20.3876 -20.3876 -1.9665 -1.9665 3.8196 3.8196 4.9827 4.9827 5.6671 5.6671 7.0902 7.0902 7.1769 7.1769 8.3146 8.3146 9.4846 9.4846 9.9283 9.9283 k = 0.3796 0.2192 0.2526 ( 2760 PWs) bands (ev): -42.0230 -42.0230 -41.9933 -41.9933 -21.0787 -21.0787 -21.0192 -21.0192 -20.6020 -20.6020 -20.5437 -20.5437 -20.4654 -20.4654 -20.3884 -20.3884 -1.9469 -1.9469 3.7959 3.7959 5.0269 5.0269 5.6652 5.6652 7.0904 7.0904 7.1996 7.1996 8.3053 8.3053 9.5005 9.5005 9.9728 9.9728 k = 0.3889 0.2245 0.2526 ( 2756 PWs) bands (ev): -42.0219 -42.0219 -41.9934 -41.9934 -21.0785 -21.0785 -21.0235 -21.0235 -20.6019 -20.6019 -20.5469 -20.5469 -20.4673 -20.4673 -20.3892 -20.3892 -1.9285 -1.9285 3.7734 3.7734 5.0682 5.0682 5.6635 5.6635 7.0743 7.0743 7.2427 7.2427 8.2941 8.2941 9.5172 9.5172 10.0171 10.0171 k = 0.3981 0.2299 0.2526 ( 2752 PWs) bands (ev): -42.0209 -42.0209 -41.9934 -41.9934 -21.0783 -21.0783 -21.0276 -21.0276 -20.6017 -20.6017 -20.5499 -20.5499 -20.4691 -20.4691 -20.3899 -20.3899 -1.9114 -1.9114 3.7525 3.7525 5.1065 5.1065 5.6616 5.6616 7.0549 7.0549 7.2929 7.2929 8.2808 8.2808 9.5345 9.5345 10.0611 10.0611 k = 0.4074 0.2352 0.2526 ( 2748 PWs) bands (ev): -42.0199 -42.0199 -41.9935 -41.9935 -21.0779 -21.0779 -21.0316 -21.0316 -20.6014 -20.6014 -20.5527 -20.5527 -20.4707 -20.4707 -20.3906 -20.3906 -1.8955 -1.8955 3.7333 3.7333 5.1415 5.1415 5.6598 5.6598 7.0358 7.0358 7.3465 7.3465 8.2650 8.2650 9.5522 9.5522 10.1046 10.1046 k = 0.4167 0.2406 0.2526 ( 2744 PWs) bands (ev): -42.0190 -42.0190 -41.9936 -41.9936 -21.0775 -21.0775 -21.0353 -21.0353 -20.6011 -20.6011 -20.5553 -20.5553 -20.4722 -20.4722 -20.3913 -20.3913 -1.8810 -1.8810 3.7157 3.7157 5.1731 5.1731 5.6582 5.6582 7.0180 7.0180 7.4020 7.4020 8.2466 8.2466 9.5702 9.5702 10.1473 10.1473 k = 0.4259 0.2459 0.2526 ( 2740 PWs) bands (ev): -42.0181 -42.0181 -41.9937 -41.9937 -21.0769 -21.0769 -21.0389 -21.0389 -20.6008 -20.6008 -20.5578 -20.5578 -20.4735 -20.4735 -20.3919 -20.3919 -1.8679 -1.8679 3.6999 3.6999 5.2013 5.2013 5.6565 5.6565 7.0019 7.0019 7.4590 7.4590 8.2253 8.2253 9.5880 9.5880 10.1890 10.1890 k = 0.4352 0.2513 0.2526 ( 2740 PWs) bands (ev): -42.0174 -42.0174 -41.9938 -41.9938 -21.0763 -21.0763 -21.0423 -21.0423 -20.6004 -20.6004 -20.5600 -20.5600 -20.4747 -20.4747 -20.3924 -20.3924 -1.8563 -1.8563 3.6859 3.6859 5.2260 5.2260 5.6550 5.6550 6.9877 6.9877 7.5167 7.5167 8.2009 8.2009 9.6054 9.6054 10.2295 10.2295 k = 0.4444 0.2566 0.2526 ( 2748 PWs) bands (ev): -42.0167 -42.0167 -41.9939 -41.9939 -21.0755 -21.0755 -21.0455 -21.0455 -20.6000 -20.6000 -20.5621 -20.5621 -20.4757 -20.4757 -20.3929 -20.3929 -1.8461 -1.8461 3.6736 3.6736 5.2472 5.2472 5.6536 5.6536 6.9752 6.9752 7.5745 7.5745 8.1734 8.1734 9.6219 9.6219 10.2685 10.2685 k = 0.4537 0.2619 0.2526 ( 2752 PWs) bands (ev): -42.0161 -42.0161 -41.9940 -41.9940 -21.0747 -21.0747 -21.0484 -21.0484 -20.5996 -20.5996 -20.5638 -20.5638 -20.4765 -20.4765 -20.3933 -20.3933 -1.8375 -1.8375 3.6632 3.6632 5.2650 5.2650 5.6524 5.6524 6.9647 6.9647 7.6319 7.6319 8.1427 8.1427 9.6371 9.6371 10.3052 10.3054 k = 0.4630 0.2673 0.2526 ( 2752 PWs) bands (ev): -42.0156 -42.0156 -41.9941 -41.9941 -21.0739 -21.0739 -21.0509 -21.0509 -20.5993 -20.5993 -20.5653 -20.5653 -20.4772 -20.4772 -20.3936 -20.3936 -1.8304 -1.8304 3.6547 3.6547 5.2795 5.2795 5.6515 5.6515 6.9561 6.9561 7.6881 7.6881 8.1093 8.1093 9.6505 9.6505 10.3221 10.3337 k = 0.4722 0.2726 0.2526 ( 2752 PWs) bands (ev): -42.0152 -42.0152 -41.9942 -41.9942 -21.0730 -21.0730 -21.0531 -21.0531 -20.5989 -20.5989 -20.5665 -20.5665 -20.4778 -20.4778 -20.3939 -20.3939 -1.8248 -1.8248 3.6480 3.6480 5.2907 5.2907 5.6507 5.6507 6.9495 6.9495 7.7419 7.7419 8.0737 8.0737 9.6616 9.6616 10.3069 10.3083 k = 0.4815 0.2780 0.2526 ( 2752 PWs) bands (ev): -42.0149 -42.0149 -41.9942 -41.9942 -21.0723 -21.0723 -21.0548 -21.0548 -20.5987 -20.5987 -20.5674 -20.5674 -20.4781 -20.4781 -20.3941 -20.3941 -1.8208 -1.8208 3.6433 3.6433 5.2987 5.2987 5.6501 5.6501 6.9447 6.9447 7.7913 7.7913 8.0376 8.0376 9.6699 9.6699 10.2993 10.2994 k = 0.4907 0.2833 0.2526 ( 2756 PWs) bands (ev): -42.0147 -42.0147 -41.9943 -41.9943 -21.0717 -21.0717 -21.0560 -21.0560 -20.5985 -20.5985 -20.5680 -20.5680 -20.4784 -20.4784 -20.3942 -20.3942 -1.8184 -1.8184 3.6404 3.6404 5.3034 5.3034 5.6498 5.6498 6.9418 6.9418 7.8312 7.8312 8.0058 8.0058 9.6751 9.6751 10.2952 10.2952 k = 0.5000 0.2887 0.2526 ( 2764 PWs) bands (ev): -42.0146 -42.0146 -41.9943 -41.9943 -21.0715 -21.0715 -21.0564 -21.0564 -20.5985 -20.5985 -20.5682 -20.5682 -20.4785 -20.4785 -20.3943 -20.3943 -1.8177 -1.8177 3.6394 3.6394 5.3049 5.3049 5.6496 5.6496 6.9408 6.9408 7.8485 7.8485 7.9911 7.9911 9.6769 9.6769 10.2938 10.2938 k = 0.5000 0.2887 0.2526 ( 2764 PWs) bands (ev): -42.0146 -42.0146 -41.9943 -41.9943 -21.0715 -21.0715 -21.0564 -21.0564 -20.5985 -20.5985 -20.5682 -20.5682 -20.4785 -20.4785 -20.3943 -20.3943 -1.8177 -1.8177 3.6394 3.6394 5.3049 5.3049 5.6496 5.6496 6.9408 6.9408 7.8485 7.8485 7.9911 7.9911 9.6769 9.6769 10.2937 10.2938 k = 0.4946 0.2980 0.2526 ( 2760 PWs) bands (ev): -42.0146 -42.0146 -41.9943 -41.9943 -21.0715 -21.0715 -21.0564 -21.0564 -20.5986 -20.5986 -20.5681 -20.5681 -20.4785 -20.4785 -20.3944 -20.3944 -1.8174 -1.8174 3.6407 3.6407 5.3050 5.3050 5.6470 5.6470 6.9431 6.9431 7.8492 7.8492 7.9922 7.9922 9.6752 9.6752 10.2859 10.2859 k = 0.4892 0.3073 0.2526 ( 2752 PWs) bands (ev): -42.0146 -42.0146 -41.9943 -41.9943 -21.0714 -21.0714 -21.0563 -21.0563 -20.5989 -20.5989 -20.5678 -20.5678 -20.4786 -20.4786 -20.3946 -20.3946 -1.8167 -1.8167 3.6445 3.6445 5.3053 5.3053 5.6391 5.6391 6.9497 6.9497 7.8511 7.8511 7.9955 7.9955 9.6702 9.6702 10.2618 10.2618 k = 0.4839 0.3166 0.2526 ( 2750 PWs) bands (ev): -42.0145 -42.0145 -41.9943 -41.9943 -21.0714 -21.0714 -21.0562 -21.0562 -20.5995 -20.5995 -20.5675 -20.5675 -20.4788 -20.4788 -20.3951 -20.3951 -1.8154 -1.8154 3.6507 3.6507 5.3058 5.3058 5.6262 5.6262 6.9607 6.9607 7.8542 7.8542 8.0009 8.0009 9.6622 9.6622 10.2215 10.2215 k = 0.4785 0.3259 0.2526 ( 2762 PWs) bands (ev): -42.0143 -42.0143 -41.9943 -41.9943 -21.0713 -21.0713 -21.0561 -21.0561 -20.6004 -20.6004 -20.5670 -20.5670 -20.4791 -20.4791 -20.3959 -20.3959 -1.8138 -1.8138 3.6593 3.6593 5.3064 5.3064 5.6083 5.6083 6.9755 6.9755 7.8585 7.8585 8.0082 8.0082 9.6516 9.6516 10.1677 10.1677 k = 0.4731 0.3352 0.2526 ( 2762 PWs) bands (ev): -42.0142 -42.0142 -41.9944 -41.9944 -21.0712 -21.0712 -21.0559 -21.0559 -20.6015 -20.6015 -20.5663 -20.5663 -20.4794 -20.4794 -20.3968 -20.3968 -1.8117 -1.8117 3.6705 3.6705 5.3072 5.3072 5.5861 5.5861 6.9943 6.9943 7.8640 7.8640 8.0175 8.0175 9.6387 9.6387 10.1045 10.1045 k = 0.4677 0.3445 0.2526 ( 2756 PWs) bands (ev): -42.0140 -42.0140 -41.9944 -41.9944 -21.0711 -21.0711 -21.0557 -21.0557 -20.6027 -20.6027 -20.5656 -20.5656 -20.4799 -20.4799 -20.3978 -20.3978 -1.8091 -1.8091 3.6840 3.6840 5.3082 5.3082 5.5600 5.5600 7.0165 7.0165 7.8708 7.8708 8.0285 8.0285 9.6243 9.6243 10.0353 10.0353 k = 0.4624 0.3539 0.2526 ( 2744 PWs) bands (ev): -42.0137 -42.0137 -41.9945 -41.9945 -21.0709 -21.0709 -21.0554 -21.0554 -20.6041 -20.6041 -20.5647 -20.5647 -20.4804 -20.4804 -20.3990 -20.3990 -1.8060 -1.8060 3.6999 3.6999 5.3095 5.3095 5.5303 5.5303 7.0419 7.0419 7.8786 7.8786 8.0410 8.0410 9.6088 9.6088 9.9626 9.9626 k = 0.4570 0.3632 0.2526 ( 2752 PWs) bands (ev): -42.0134 -42.0134 -41.9945 -41.9945 -21.0708 -21.0708 -21.0552 -21.0552 -20.6057 -20.6057 -20.5637 -20.5637 -20.4810 -20.4810 -20.4004 -20.4004 -1.8026 -1.8026 3.7180 3.7180 5.3108 5.3108 5.4972 5.4972 7.0700 7.0700 7.8875 7.8875 8.0548 8.0548 9.5926 9.5926 9.8882 9.8882 k = 0.4516 0.3725 0.2526 ( 2754 PWs) bands (ev): -42.0131 -42.0131 -41.9946 -41.9946 -21.0706 -21.0706 -21.0549 -21.0549 -20.6074 -20.6074 -20.5627 -20.5627 -20.4817 -20.4817 -20.4019 -20.4019 -1.7989 -1.7989 3.7383 3.7383 5.3123 5.3123 5.4614 5.4614 7.1006 7.1006 7.8974 7.8974 8.0697 8.0697 9.5764 9.5764 9.8132 9.8132 k = 0.4462 0.3818 0.2526 ( 2758 PWs) bands (ev): -42.0128 -42.0128 -41.9947 -41.9947 -21.0704 -21.0704 -21.0547 -21.0547 -20.6092 -20.6092 -20.5615 -20.5615 -20.4825 -20.4825 -20.4035 -20.4035 -1.7948 -1.7948 3.7606 3.7606 5.3138 5.3138 5.4231 5.4231 7.1334 7.1334 7.9083 7.9083 8.0854 8.0854 9.5605 9.5605 9.7385 9.7385 k = 0.4409 0.3911 0.2526 ( 2766 PWs) bands (ev): -42.0124 -42.0124 -41.9948 -41.9948 -21.0702 -21.0702 -21.0545 -21.0545 -20.6111 -20.6111 -20.5604 -20.5604 -20.4834 -20.4834 -20.4053 -20.4053 -1.7905 -1.7905 3.7850 3.7850 5.3155 5.3155 5.3829 5.3829 7.1682 7.1682 7.9199 7.9199 8.1017 8.1017 9.5453 9.5453 9.6647 9.6647 k = 0.4355 0.4004 0.2526 ( 2766 PWs) bands (ev): -42.0120 -42.0120 -41.9949 -41.9949 -21.0700 -21.0700 -21.0542 -21.0542 -20.6131 -20.6131 -20.5591 -20.5591 -20.4843 -20.4843 -20.4071 -20.4071 -1.7858 -1.7858 3.8113 3.8113 5.3164 5.3164 5.3419 5.3419 7.2046 7.2046 7.9323 7.9323 8.1183 8.1183 9.5310 9.5310 9.5927 9.5927 k = 0.4301 0.4097 0.2526 ( 2766 PWs) bands (ev): -42.0116 -42.0116 -41.9950 -41.9950 -21.0697 -21.0697 -21.0540 -21.0540 -20.6152 -20.6152 -20.5577 -20.5577 -20.4854 -20.4854 -20.4089 -20.4089 -1.7809 -1.7809 3.8394 3.8394 5.2950 5.2950 5.3219 5.3219 7.2424 7.2424 7.9453 7.9453 8.1351 8.1351 9.5143 9.5143 9.5262 9.5262 k = 0.4247 0.4190 0.2526 ( 2762 PWs) bands (ev): -42.0111 -42.0111 -41.9952 -41.9952 -21.0694 -21.0694 -21.0537 -21.0537 -20.6173 -20.6173 -20.5563 -20.5563 -20.4865 -20.4865 -20.4108 -20.4108 -1.7758 -1.7758 3.8692 3.8692 5.2514 5.2514 5.3232 5.3232 7.2815 7.2815 7.9586 7.9586 8.1518 8.1518 9.4528 9.4528 9.5085 9.5085 k = 0.4194 0.4284 0.2526 ( 2770 PWs) bands (ev): -42.0106 -42.0106 -41.9953 -41.9953 -21.0691 -21.0691 -21.0536 -21.0536 -20.6194 -20.6194 -20.5548 -20.5548 -20.4878 -20.4878 -20.4127 -20.4127 -1.7706 -1.7706 3.9004 3.9004 5.2060 5.2060 5.3254 5.3254 7.3215 7.3215 7.9722 7.9722 8.1683 8.1683 9.3875 9.3875 9.4990 9.4990 k = 0.4140 0.4377 0.2526 ( 2764 PWs) bands (ev): -42.0101 -42.0101 -41.9955 -41.9955 -21.0688 -21.0688 -21.0534 -21.0534 -20.6215 -20.6215 -20.5533 -20.5533 -20.4891 -20.4891 -20.4146 -20.4146 -1.7652 -1.7652 3.9332 3.9332 5.1599 5.1599 5.3278 5.3278 7.3622 7.3622 7.9857 7.9857 8.1843 8.1843 9.3250 9.3250 9.4917 9.4917 k = 0.4086 0.4470 0.2526 ( 2756 PWs) bands (ev): -42.0096 -42.0096 -41.9957 -41.9957 -21.0685 -21.0685 -21.0533 -21.0533 -20.6236 -20.6236 -20.5517 -20.5517 -20.4905 -20.4905 -20.4165 -20.4165 -1.7598 -1.7598 3.9672 3.9672 5.1133 5.1133 5.3305 5.3305 7.4035 7.4035 7.9989 7.9989 8.1998 8.1998 9.2658 9.2658 9.4866 9.4866 k = 0.4032 0.4563 0.2526 ( 2764 PWs) bands (ev): -42.0090 -42.0090 -41.9959 -41.9959 -21.0681 -21.0681 -21.0533 -21.0533 -20.6256 -20.6256 -20.5501 -20.5501 -20.4920 -20.4920 -20.4183 -20.4183 -1.7545 -1.7545 4.0023 4.0023 5.0663 5.0663 5.3332 5.3332 7.4449 7.4449 8.0113 8.0113 8.2146 8.2146 9.2102 9.2102 9.4838 9.4838 k = 0.3978 0.4656 0.2526 ( 2764 PWs) bands (ev): -42.0084 -42.0084 -41.9962 -41.9962 -21.0678 -21.0678 -21.0533 -21.0533 -20.6276 -20.6276 -20.5485 -20.5485 -20.4936 -20.4936 -20.4201 -20.4201 -1.7492 -1.7492 4.0385 4.0385 5.0192 5.0192 5.3360 5.3360 7.4863 7.4863 8.0225 8.0225 8.2287 8.2287 9.1587 9.1587 9.4833 9.4833 k = 0.3925 0.4749 0.2526 ( 2760 PWs) bands (ev): -42.0079 -42.0079 -41.9964 -41.9964 -21.0674 -21.0674 -21.0533 -21.0533 -20.6295 -20.6295 -20.5468 -20.5468 -20.4952 -20.4952 -20.4217 -20.4217 -1.7440 -1.7440 4.0755 4.0755 4.9722 4.9722 5.3389 5.3389 7.5276 7.5276 8.0323 8.0323 8.2420 8.2420 9.1116 9.1116 9.4853 9.4853 k = 0.3871 0.4842 0.2526 ( 2768 PWs) bands (ev): -42.0073 -42.0073 -41.9967 -41.9967 -21.0670 -21.0670 -21.0534 -21.0534 -20.6314 -20.6314 -20.5451 -20.5451 -20.4970 -20.4970 -20.4233 -20.4233 -1.7391 -1.7391 4.1132 4.1132 4.9254 4.9254 5.3417 5.3417 7.5684 7.5684 8.0398 8.0398 8.2545 8.2545 9.0694 9.0694 9.4897 9.4897 k = 0.3817 0.4935 0.2526 ( 2770 PWs) bands (ev): -42.0066 -42.0066 -41.9970 -41.9970 -21.0666 -21.0666 -21.0536 -21.0536 -20.6331 -20.6331 -20.5434 -20.5434 -20.4988 -20.4988 -20.4248 -20.4248 -1.7343 -1.7343 4.1514 4.1514 4.8790 4.8790 5.3446 5.3446 7.6086 7.6086 8.0448 8.0448 8.2660 8.2660 9.0323 9.0323 9.4968 9.4968 k = 0.3763 0.5029 0.2526 ( 2770 PWs) bands (ev): -42.0060 -42.0060 -41.9973 -41.9973 -21.0662 -21.0662 -21.0539 -21.0539 -20.6347 -20.6347 -20.5417 -20.5417 -20.5006 -20.5006 -20.4261 -20.4261 -1.7298 -1.7298 4.1901 4.1901 4.8331 4.8331 5.3473 5.3473 7.6480 7.6480 8.0467 8.0467 8.2767 8.2767 9.0008 9.0008 9.5064 9.5064 k = 0.3710 0.5122 0.2526 ( 2766 PWs) bands (ev): -42.0054 -42.0054 -41.9977 -41.9977 -21.0658 -21.0658 -21.0542 -21.0542 -20.6361 -20.6361 -20.5400 -20.5400 -20.5024 -20.5024 -20.4272 -20.4272 -1.7256 -1.7256 4.2290 4.2290 4.7879 4.7879 5.3501 5.3501 7.6864 7.6864 8.0449 8.0449 8.2863 8.2863 8.9749 8.9749 9.5187 9.5187 k = 0.3656 0.5215 0.2526 ( 2762 PWs) bands (ev): -42.0048 -42.0048 -41.9981 -41.9981 -21.0653 -21.0653 -21.0545 -21.0545 -20.6373 -20.6373 -20.5383 -20.5383 -20.5042 -20.5042 -20.4282 -20.4282 -1.7218 -1.7218 4.2681 4.2681 4.7435 4.7435 5.3526 5.3526 7.7236 7.7236 8.0392 8.0392 8.2949 8.2949 8.9548 8.9548 9.5338 9.5338 k = 0.3602 0.5308 0.2526 ( 2758 PWs) bands (ev): -42.0042 -42.0042 -41.9985 -41.9985 -21.0648 -21.0648 -21.0549 -21.0549 -20.6384 -20.6384 -20.5367 -20.5367 -20.5059 -20.5059 -20.4291 -20.4291 -1.7184 -1.7184 4.3071 4.3071 4.6999 4.6999 5.3549 5.3549 7.7598 7.7598 8.0294 8.0294 8.3024 8.3024 8.9402 8.9402 9.5517 9.5517 k = 0.3548 0.5401 0.2526 ( 2758 PWs) bands (ev): -42.0035 -42.0035 -41.9989 -41.9989 -21.0644 -21.0644 -21.0554 -21.0554 -20.6393 -20.6393 -20.5353 -20.5353 -20.5075 -20.5075 -20.4298 -20.4298 -1.7156 -1.7156 4.3460 4.3460 4.6573 4.6573 5.3570 5.3570 7.7945 7.7945 8.0154 8.0154 8.3087 8.3087 8.9306 8.9306 9.5724 9.5724 k = 0.3495 0.5494 0.2526 ( 2758 PWs) bands (ev): -42.0029 -42.0029 -41.9994 -41.9994 -21.0639 -21.0639 -21.0558 -21.0558 -20.6400 -20.6400 -20.5341 -20.5341 -20.5089 -20.5089 -20.4304 -20.4304 -1.7132 -1.7132 4.3847 4.3847 4.6157 4.6157 5.3587 5.3587 7.8281 7.8281 7.9973 7.9973 8.3136 8.3136 8.9252 8.9252 9.5959 9.5959 k = 0.3441 0.5587 0.2526 ( 2762 PWs) bands (ev): -42.0023 -42.0023 -41.9999 -41.9999 -21.0635 -21.0635 -21.0563 -21.0563 -20.6405 -20.6405 -20.5331 -20.5331 -20.5100 -20.5100 -20.4308 -20.4308 -1.7116 -1.7116 4.4229 4.4229 4.5754 4.5754 5.3600 5.3600 7.8603 7.8603 7.9754 7.9754 8.3172 8.3172 8.9231 8.9231 9.6221 9.6222 k = 0.3387 0.5680 0.2526 ( 2770 PWs) bands (ev): -42.0017 -42.0017 -42.0005 -42.0005 -21.0633 -21.0633 -21.0566 -21.0566 -20.6408 -20.6408 -20.5325 -20.5325 -20.5107 -20.5107 -20.4310 -20.4310 -1.7106 -1.7106 4.4605 4.4605 4.5365 4.5365 5.3608 5.3608 7.8914 7.8914 7.9501 7.9501 8.3194 8.3194 8.9229 8.9229 9.6511 9.6514 k = 0.3333 0.5774 0.2526 ( 2778 PWs) bands (ev): -42.0011 -42.0011 -42.0011 -42.0011 -21.0632 -21.0632 -21.0567 -21.0567 -20.6410 -20.6410 -20.5323 -20.5323 -20.5110 -20.5110 -20.4311 -20.4311 -1.7102 -1.7102 4.4924 4.4924 4.5041 4.5041 5.3611 5.3611 7.9192 7.9192 7.9241 7.9241 8.3201 8.3201 8.9233 8.9233 9.6823 9.6825 k = 0.3333 0.5774 0.2526 ( 2778 PWs) bands (ev): -42.0011 -42.0011 -42.0011 -42.0011 -21.0632 -21.0632 -21.0567 -21.0567 -20.6410 -20.6410 -20.5323 -20.5323 -20.5110 -20.5110 -20.4311 -20.4311 -1.7102 -1.7102 4.4924 4.4924 4.5041 4.5041 5.3611 5.3611 7.9192 7.9192 7.9241 7.9241 8.3201 8.3201 8.9233 8.9233 9.6823 9.6825 k = 0.3280 0.5680 0.2526 ( 2762 PWs) bands (ev): -42.0017 -42.0017 -42.0005 -42.0005 -21.0633 -21.0633 -21.0565 -21.0565 -20.6408 -20.6408 -20.5324 -20.5324 -20.5107 -20.5107 -20.4310 -20.4310 -1.7105 -1.7105 4.4616 4.4616 4.5354 4.5354 5.3609 5.3609 7.8907 7.8907 7.9511 7.9511 8.3194 8.3194 8.9224 8.9224 9.6518 9.6524 k = 0.3226 0.5587 0.2526 ( 2762 PWs) bands (ev): -42.0023 -42.0023 -41.9999 -41.9999 -21.0636 -21.0636 -21.0561 -21.0561 -20.6405 -20.6405 -20.5331 -20.5331 -20.5100 -20.5100 -20.4308 -20.4308 -1.7117 -1.7117 4.4271 4.4271 4.5712 4.5712 5.3598 5.3598 7.8576 7.8576 7.9796 7.9796 8.3173 8.3173 8.9184 8.9184 9.6257 9.6257 k = 0.3172 0.5494 0.2526 ( 2762 PWs) bands (ev): -42.0030 -42.0030 -41.9993 -41.9993 -21.0642 -21.0642 -21.0554 -21.0554 -20.6400 -20.6400 -20.5340 -20.5340 -20.5089 -20.5089 -20.4304 -20.4304 -1.7137 -1.7137 4.3940 4.3940 4.6064 4.6064 5.3579 5.3579 7.8227 7.8227 8.0076 8.0076 8.3138 8.3138 8.9096 8.9096 9.6054 9.6054 k = 0.3118 0.5401 0.2526 ( 2762 PWs) bands (ev): -42.0037 -42.0037 -41.9988 -41.9988 -21.0649 -21.0649 -21.0545 -21.0545 -20.6393 -20.6393 -20.5351 -20.5351 -20.5074 -20.5074 -20.4299 -20.4299 -1.7166 -1.7166 4.3626 4.3626 4.6408 4.6408 5.3551 5.3551 7.7863 7.7863 8.0353 8.0353 8.3090 8.3090 8.8943 8.8943 9.5921 9.5921 k = 0.3065 0.5308 0.2526 ( 2766 PWs) bands (ev): -42.0045 -42.0045 -41.9982 -41.9982 -21.0658 -21.0658 -21.0534 -21.0534 -20.6384 -20.6384 -20.5364 -20.5364 -20.5057 -20.5057 -20.4292 -20.4292 -1.7205 -1.7205 4.3329 4.3329 4.6742 4.6742 5.3513 5.3513 7.7489 7.7489 8.0627 8.0627 8.3032 8.3032 8.8716 8.8716 9.5863 9.5863 k = 0.3011 0.5215 0.2526 ( 2774 PWs) bands (ev): -42.0053 -42.0053 -41.9977 -41.9977 -21.0667 -21.0667 -21.0521 -21.0521 -20.6374 -20.6374 -20.5377 -20.5377 -20.5039 -20.5039 -20.4285 -20.4285 -1.7253 -1.7253 4.3051 4.3051 4.7066 4.7066 5.3464 5.3464 7.7105 7.7105 8.0901 8.0901 8.2964 8.2964 8.8410 8.8410 9.5881 9.5881 k = 0.2957 0.5122 0.2526 ( 2770 PWs) bands (ev): -42.0061 -42.0061 -41.9973 -41.9973 -21.0676 -21.0676 -21.0506 -21.0506 -20.6362 -20.6362 -20.5390 -20.5390 -20.5019 -20.5019 -20.4275 -20.4275 -1.7310 -1.7310 4.2793 4.2793 4.7380 4.7380 5.3403 5.3403 7.6718 7.6718 8.1176 8.1176 8.2888 8.2888 8.8028 8.8028 9.5970 9.5970 k = 0.2903 0.5029 0.2526 ( 2770 PWs) bands (ev): -42.0070 -42.0070 -41.9968 -41.9968 -21.0685 -21.0685 -21.0490 -21.0490 -20.6348 -20.6348 -20.5402 -20.5402 -20.4997 -20.4997 -20.4265 -20.4265 -1.7378 -1.7378 4.2555 4.2555 4.7683 4.7683 5.3331 5.3331 7.6329 7.6329 8.1452 8.1452 8.2807 8.2807 8.7576 8.7576 9.6122 9.6122 k = 0.2849 0.4935 0.2526 ( 2766 PWs) bands (ev): -42.0079 -42.0079 -41.9964 -41.9964 -21.0694 -21.0694 -21.0472 -21.0472 -20.6333 -20.6333 -20.5414 -20.5414 -20.4975 -20.4975 -20.4254 -20.4254 -1.7456 -1.7456 4.2337 4.2337 4.7972 4.7972 5.3245 5.3245 7.5942 7.5942 8.1731 8.1731 8.2721 8.2721 8.7064 8.7064 9.6326 9.6326 k = 0.2796 0.4842 0.2526 ( 2770 PWs) bands (ev): -42.0089 -42.0089 -41.9959 -41.9959 -21.0703 -21.0703 -21.0453 -21.0453 -20.6317 -20.6317 -20.5424 -20.5424 -20.4952 -20.4952 -20.4241 -20.4241 -1.7545 -1.7545 4.2141 4.2141 4.8245 4.8245 5.3148 5.3148 7.5559 7.5559 8.2014 8.2014 8.2635 8.2635 8.6501 8.6501 9.6571 9.6571 k = 0.2742 0.4749 0.2526 ( 2766 PWs) bands (ev): -42.0099 -42.0099 -41.9956 -41.9956 -21.0712 -21.0712 -21.0432 -21.0432 -20.6299 -20.6299 -20.5433 -20.5433 -20.4929 -20.4929 -20.4228 -20.4228 -1.7645 -1.7645 4.1967 4.1967 4.8501 4.8501 5.3040 5.3040 7.5185 7.5185 8.2297 8.2297 8.2552 8.2552 8.5897 8.5897 9.6848 9.6848 k = 0.2688 0.4656 0.2526 ( 2766 PWs) bands (ev): -42.0109 -42.0109 -41.9952 -41.9952 -21.0720 -21.0720 -21.0409 -21.0409 -20.6281 -20.6281 -20.5440 -20.5440 -20.4904 -20.4904 -20.4214 -20.4214 -1.7756 -1.7756 4.1815 4.1815 4.8735 4.8735 5.2923 5.2923 7.4822 7.4822 8.2442 8.2442 8.2612 8.2612 8.5262 8.5262 9.7148 9.7148 k = 0.2634 0.4563 0.2526 ( 2762 PWs) bands (ev): -42.0119 -42.0119 -41.9949 -41.9949 -21.0728 -21.0728 -21.0385 -21.0385 -20.6263 -20.6263 -20.5445 -20.5445 -20.4879 -20.4879 -20.4199 -20.4199 -1.7877 -1.7877 4.1686 4.1686 4.8942 4.8942 5.2802 5.2802 7.4474 7.4474 8.2368 8.2368 8.2901 8.2901 8.4602 8.4602 9.7463 9.7463 k = 0.2581 0.4470 0.2526 ( 2758 PWs) bands (ev): -42.0130 -42.0130 -41.9946 -41.9946 -21.0735 -21.0735 -21.0359 -21.0359 -20.6244 -20.6244 -20.5448 -20.5448 -20.4853 -20.4853 -20.4183 -20.4183 -1.8010 -1.8010 4.1581 4.1581 4.9113 4.9113 5.2682 5.2682 7.4143 7.4143 8.2290 8.2290 8.3201 8.3201 8.3927 8.3927 9.7787 9.7787 k = 0.2527 0.4377 0.2526 ( 2758 PWs) bands (ev): -42.0142 -42.0142 -41.9943 -41.9943 -21.0741 -21.0741 -21.0331 -21.0331 -20.6225 -20.6225 -20.5449 -20.5449 -20.4827 -20.4827 -20.4166 -20.4166 -1.8154 -1.8154 4.1499 4.1499 4.9238 4.9238 5.2574 5.2574 7.3831 7.3831 8.2217 8.2217 8.3223 8.3223 8.3526 8.3526 9.8115 9.8115 k = 0.2473 0.4284 0.2526 ( 2758 PWs) bands (ev): -42.0153 -42.0153 -41.9941 -41.9941 -21.0747 -21.0747 -21.0302 -21.0302 -20.6206 -20.6206 -20.5448 -20.5448 -20.4800 -20.4800 -20.4149 -20.4149 -1.8309 -1.8309 4.1442 4.1442 4.9304 4.9304 5.2488 5.2488 7.3541 7.3541 8.2148 8.2148 8.2541 8.2541 8.3832 8.3832 9.8441 9.8441 k = 0.2419 0.4190 0.2526 ( 2760 PWs) bands (ev): -42.0165 -42.0165 -41.9939 -41.9939 -21.0753 -21.0753 -21.0271 -21.0271 -20.6187 -20.6187 -20.5443 -20.5443 -20.4773 -20.4773 -20.4132 -20.4132 -1.8475 -1.8475 4.1411 4.1411 4.9299 4.9299 5.2439 5.2439 7.3274 7.3274 8.1842 8.1842 8.2097 8.2097 8.4150 8.4150 9.8761 9.8761 k = 0.2366 0.4097 0.2526 ( 2760 PWs) bands (ev): -42.0177 -42.0177 -41.9937 -41.9937 -21.0757 -21.0757 -21.0239 -21.0239 -20.6169 -20.6169 -20.5436 -20.5436 -20.4745 -20.4745 -20.4114 -20.4114 -1.8652 -1.8652 4.1404 4.1404 4.9211 4.9211 5.2434 5.2434 7.3029 7.3029 8.1163 8.1163 8.2044 8.2044 8.4474 8.4474 9.9069 9.9069 k = 0.2312 0.4004 0.2526 ( 2764 PWs) bands (ev): -42.0190 -42.0190 -41.9936 -41.9936 -21.0761 -21.0761 -21.0204 -21.0204 -20.6151 -20.6151 -20.5426 -20.5426 -20.4717 -20.4717 -20.4096 -20.4096 -1.8839 -1.8839 4.1422 4.1422 4.9039 4.9039 5.2477 5.2477 7.2806 7.2806 8.0495 8.0495 8.2002 8.2002 8.4802 8.4802 9.9359 9.9359 k = 0.2258 0.3911 0.2526 ( 2764 PWs) bands (ev): -42.0202 -42.0202 -41.9935 -41.9935 -21.0765 -21.0765 -21.0169 -21.0169 -20.6134 -20.6134 -20.5412 -20.5412 -20.4688 -20.4688 -20.4077 -20.4077 -1.9037 -1.9037 4.1467 4.1467 4.8787 4.8787 5.2564 5.2564 7.2603 7.2603 7.9849 7.9849 8.1972 8.1972 8.5134 8.5134 9.9626 9.9626 k = 0.2204 0.3818 0.2526 ( 2756 PWs) bands (ev): -42.0215 -42.0215 -41.9934 -41.9934 -21.0767 -21.0767 -21.0131 -21.0131 -20.6118 -20.6118 -20.5395 -20.5395 -20.4658 -20.4658 -20.4058 -20.4058 -1.9244 -1.9244 4.1537 4.1537 4.8465 4.8465 5.2686 5.2686 7.2415 7.2415 7.9232 7.9232 8.1951 8.1951 8.5469 8.5469 9.9862 9.9862 k = 0.2151 0.3725 0.2526 ( 2756 PWs) bands (ev): -42.0228 -42.0228 -41.9933 -41.9933 -21.0769 -21.0769 -21.0092 -21.0092 -20.6103 -20.6103 -20.5376 -20.5376 -20.4628 -20.4628 -20.4039 -20.4039 -1.9461 -1.9461 4.1633 4.1633 4.8083 4.8083 5.2834 5.2834 7.2236 7.2236 7.8654 7.8654 8.1942 8.1942 8.5805 8.5805 10.0061 10.0061 k = 0.2097 0.3632 0.2526 ( 2752 PWs) bands (ev): -42.0242 -42.0242 -41.9933 -41.9933 -21.0770 -21.0770 -21.0052 -21.0052 -20.6089 -20.6089 -20.5353 -20.5353 -20.4597 -20.4597 -20.4020 -20.4020 -1.9687 -1.9687 4.1755 4.1755 4.7649 4.7649 5.3000 5.3000 7.2056 7.2056 7.8127 7.8127 8.1943 8.1943 8.6143 8.6143 10.0214 10.0214 k = 0.2043 0.3539 0.2526 ( 2760 PWs) bands (ev): -42.0255 -42.0255 -41.9933 -41.9933 -21.0772 -21.0772 -21.0011 -21.0011 -20.6075 -20.6075 -20.5327 -20.5327 -20.4567 -20.4567 -20.4001 -20.4001 -1.9921 -1.9921 4.1901 4.1901 4.7173 4.7173 5.3178 5.3178 7.1864 7.1864 7.7662 7.7662 8.1955 8.1955 8.6479 8.6479 10.0313 10.0313 k = 0.1989 0.3445 0.2526 ( 2764 PWs) bands (ev): -42.0269 -42.0269 -41.9933 -41.9933 -21.0772 -21.0772 -20.9969 -20.9969 -20.6063 -20.6063 -20.5298 -20.5298 -20.4535 -20.4535 -20.3982 -20.3982 -2.0164 -2.0164 4.2074 4.2074 4.6660 4.6660 5.3363 5.3363 7.1649 7.1649 7.7274 7.7274 8.1977 8.1977 8.6815 8.6815 10.0351 10.0351 k = 0.1935 0.3352 0.2526 ( 2770 PWs) bands (ev): -42.0283 -42.0283 -41.9934 -41.9934 -21.0772 -21.0772 -20.9925 -20.9925 -20.6051 -20.6051 -20.5267 -20.5267 -20.4504 -20.4504 -20.3963 -20.3963 -2.0414 -2.0414 4.2272 4.2272 4.6118 4.6118 5.3552 5.3552 7.1399 7.1399 7.6974 7.6974 8.2010 8.2010 8.7147 8.7147 10.0324 10.0324 k = 0.1882 0.3259 0.2526 ( 2768 PWs) bands (ev): -42.0297 -42.0297 -41.9935 -41.9935 -21.0772 -21.0772 -20.9881 -20.9881 -20.6039 -20.6039 -20.5233 -20.5233 -20.4471 -20.4471 -20.3945 -20.3945 -2.0670 -2.0670 4.2495 4.2495 4.5550 4.5550 5.3742 5.3742 7.1107 7.1107 7.6770 7.6770 8.2052 8.2052 8.7476 8.7476 10.0235 10.0235 k = 0.1828 0.3166 0.2526 ( 2764 PWs) bands (ev): -42.0311 -42.0311 -41.9936 -41.9936 -21.0771 -21.0771 -20.9836 -20.9836 -20.6028 -20.6028 -20.5197 -20.5197 -20.4438 -20.4438 -20.3926 -20.3926 -2.0933 -2.0933 4.2742 4.2742 4.4961 4.4961 5.3932 5.3932 7.0770 7.0770 7.6664 7.6664 8.2103 8.2103 8.7798 8.7798 10.0087 10.0087 k = 0.1774 0.3073 0.2526 ( 2764 PWs) bands (ev): -42.0325 -42.0325 -41.9938 -41.9938 -21.0770 -21.0770 -20.9790 -20.9790 -20.6017 -20.6017 -20.5159 -20.5159 -20.4405 -20.4405 -20.3907 -20.3907 -2.1200 -2.1200 4.3014 4.3014 4.4356 4.4356 5.4120 5.4120 7.0391 7.0391 7.6651 7.6651 8.2163 8.2163 8.8114 8.8114 9.9889 9.9890 k = 0.1720 0.2980 0.2526 ( 2768 PWs) bands (ev): -42.0339 -42.0339 -41.9939 -41.9939 -21.0769 -21.0769 -20.9744 -20.9744 -20.6006 -20.6006 -20.5120 -20.5120 -20.4372 -20.4372 -20.3889 -20.3889 -2.1473 -2.1473 4.3306 4.3306 4.3739 4.3739 5.4303 5.4303 6.9977 6.9977 7.6726 7.6726 8.2229 8.2229 8.8419 8.8419 9.9654 9.9654 k = 0.1667 0.2887 0.2526 ( 2768 PWs) bands (ev): -42.0353 -42.0353 -41.9941 -41.9941 -21.0768 -21.0768 -20.9697 -20.9697 -20.5996 -20.5996 -20.5078 -20.5078 -20.4338 -20.4338 -20.3871 -20.3871 -2.1749 -2.1749 4.3102 4.3102 4.3633 4.3633 5.4482 5.4482 6.9537 6.9537 7.6877 7.6877 8.2302 8.2302 8.8713 8.8713 9.9393 9.9393 k = 0.1613 0.2794 0.2526 ( 2764 PWs) bands (ev): -42.0367 -42.0367 -41.9943 -41.9943 -21.0766 -21.0766 -20.9650 -20.9650 -20.5985 -20.5985 -20.5035 -20.5035 -20.4304 -20.4304 -20.3853 -20.3853 -2.2028 -2.2028 4.2469 4.2469 4.3973 4.3973 5.4655 5.4655 6.9081 6.9081 7.7095 7.7095 8.2381 8.2381 8.8993 8.8993 9.9115 9.9115 k = 0.1559 0.2701 0.2526 ( 2772 PWs) bands (ev): -42.0380 -42.0380 -41.9945 -41.9945 -21.0765 -21.0765 -20.9603 -20.9603 -20.5974 -20.5974 -20.4992 -20.4992 -20.4270 -20.4270 -20.3836 -20.3836 -2.2310 -2.2310 4.1830 4.1830 4.4334 4.4334 5.4820 5.4820 6.8615 6.8615 7.7368 7.7368 8.2462 8.2462 8.9256 8.9256 9.8831 9.8831 k = 0.1505 0.2607 0.2526 ( 2764 PWs) bands (ev): -42.0394 -42.0394 -41.9947 -41.9947 -21.0764 -21.0764 -20.9557 -20.9557 -20.5962 -20.5962 -20.4947 -20.4947 -20.4236 -20.4236 -20.3818 -20.3818 -2.2592 -2.2592 4.1190 4.1190 4.4719 4.4719 5.4980 5.4980 6.8147 6.8147 7.7691 7.7691 8.2547 8.2547 8.9500 8.9500 9.8548 9.8548 k = 0.1452 0.2514 0.2526 ( 2764 PWs) bands (ev): -42.0408 -42.0408 -41.9950 -41.9950 -21.0763 -21.0763 -20.9510 -20.9510 -20.5951 -20.5951 -20.4901 -20.4901 -20.4202 -20.4202 -20.3801 -20.3801 -2.2875 -2.2875 4.0553 4.0553 4.5122 4.5122 5.5131 5.5131 6.7682 6.7682 7.8056 7.8056 8.2631 8.2631 8.9721 8.9721 9.8272 9.8272 k = 0.1398 0.2421 0.2526 ( 2764 PWs) bands (ev): -42.0421 -42.0421 -41.9953 -41.9953 -21.0762 -21.0762 -20.9464 -20.9464 -20.5939 -20.5939 -20.4855 -20.4855 -20.4168 -20.4168 -20.3785 -20.3785 -2.3157 -2.3157 3.9919 3.9919 4.5545 4.5545 5.5273 5.5273 6.7223 6.7223 7.8458 7.8458 8.2716 8.2716 8.9916 8.9916 9.8010 9.8010 k = 0.1344 0.2328 0.2526 ( 2764 PWs) bands (ev): -42.0435 -42.0435 -41.9955 -41.9955 -21.0761 -21.0761 -20.9419 -20.9419 -20.5927 -20.5927 -20.4809 -20.4809 -20.4135 -20.4135 -20.3768 -20.3768 -2.3438 -2.3438 3.9293 3.9293 4.5985 4.5985 5.5405 5.5405 6.6776 6.6776 7.8889 7.8889 8.2797 8.2797 9.0082 9.0082 9.7764 9.7764 k = 0.1290 0.2235 0.2526 ( 2760 PWs) bands (ev): -42.0448 -42.0448 -41.9958 -41.9958 -21.0760 -21.0760 -20.9374 -20.9374 -20.5915 -20.5915 -20.4762 -20.4762 -20.4101 -20.4101 -20.3751 -20.3751 -2.3716 -2.3716 3.8675 3.8675 4.6442 4.6442 5.5528 5.5528 6.6341 6.6341 7.9347 7.9347 8.2873 8.2873 9.0216 9.0216 9.7540 9.7540 k = 0.1237 0.2142 0.2526 ( 2768 PWs) bands (ev): -42.0461 -42.0461 -41.9961 -41.9961 -21.0759 -21.0759 -20.9331 -20.9331 -20.5903 -20.5903 -20.4716 -20.4716 -20.4069 -20.4069 -20.3735 -20.3735 -2.3992 -2.3992 3.8068 3.8068 4.6913 4.6913 5.5639 5.5639 6.5921 6.5921 7.9827 7.9827 8.2943 8.2943 9.0315 9.0315 9.7339 9.7339 k = 0.1183 0.2049 0.2526 ( 2764 PWs) bands (ev): -42.0473 -42.0473 -41.9964 -41.9964 -21.0759 -21.0759 -20.9288 -20.9288 -20.5890 -20.5890 -20.4669 -20.4669 -20.4038 -20.4038 -20.3719 -20.3719 -2.4263 -2.4263 3.7474 3.7474 4.7397 4.7397 5.5740 5.5740 6.5518 6.5518 8.0325 8.0325 8.3005 8.3005 9.0376 9.0376 9.7166 9.7166 k = 0.1129 0.1956 0.2526 ( 2764 PWs) bands (ev): -42.0485 -42.0485 -41.9967 -41.9967 -21.0759 -21.0759 -20.9246 -20.9246 -20.5878 -20.5878 -20.4623 -20.4623 -20.4007 -20.4007 -20.3702 -20.3702 -2.4530 -2.4530 3.6896 3.6896 4.7893 4.7893 5.5829 5.5829 6.5133 6.5133 8.0837 8.0837 8.3057 8.3057 9.0401 9.0401 9.7020 9.7020 k = 0.1075 0.1862 0.2526 ( 2764 PWs) bands (ev): -42.0497 -42.0497 -41.9970 -41.9970 -21.0759 -21.0759 -20.9206 -20.9206 -20.5865 -20.5865 -20.4578 -20.4578 -20.3978 -20.3978 -20.3685 -20.3685 -2.4790 -2.4790 3.6333 3.6333 4.8399 4.8399 5.5908 5.5908 6.4767 6.4767 8.1359 8.1359 8.3096 8.3096 9.0388 9.0388 9.6905 9.6905 k = 0.1022 0.1769 0.2526 ( 2770 PWs) bands (ev): -42.0509 -42.0509 -41.9973 -41.9973 -21.0760 -21.0760 -20.9168 -20.9168 -20.5853 -20.5853 -20.4532 -20.4532 -20.3951 -20.3951 -20.3668 -20.3668 -2.5044 -2.5044 3.5789 3.5789 4.8912 4.8912 5.5974 5.5974 6.4421 6.4421 8.1886 8.1886 8.3121 8.3121 9.0340 9.0340 9.6822 9.6822 k = 0.0968 0.1676 0.2526 ( 2770 PWs) bands (ev): -42.0520 -42.0520 -41.9976 -41.9976 -21.0760 -21.0760 -20.9130 -20.9130 -20.5840 -20.5840 -20.4488 -20.4488 -20.3926 -20.3926 -20.3650 -20.3650 -2.5291 -2.5291 3.5264 3.5264 4.9432 4.9432 5.6029 5.6029 6.4096 6.4096 8.2415 8.2415 8.3132 8.3132 9.0262 9.0262 9.6771 9.6771 k = 0.0914 0.1583 0.2526 ( 2774 PWs) bands (ev): -42.0531 -42.0531 -41.9979 -41.9979 -21.0761 -21.0761 -20.9095 -20.9095 -20.5828 -20.5828 -20.4444 -20.4444 -20.3903 -20.3903 -20.3631 -20.3631 -2.5529 -2.5529 3.4760 3.4760 4.9953 4.9953 5.6073 5.6073 6.3792 6.3792 8.2941 8.2941 8.3128 8.3128 9.0157 9.0157 9.6754 9.6754 k = 0.0860 0.1490 0.2526 ( 2770 PWs) bands (ev): -42.0541 -42.0541 -41.9982 -41.9982 -21.0762 -21.0762 -20.9061 -20.9061 -20.5816 -20.5816 -20.4401 -20.4401 -20.3883 -20.3883 -20.3612 -20.3612 -2.5758 -2.5758 3.4279 3.4279 5.0476 5.0476 5.6106 5.6106 6.3509 6.3509 8.3099 8.3099 8.3468 8.3468 9.0031 9.0031 9.6770 9.6770 k = 0.0806 0.1397 0.2526 ( 2774 PWs) bands (ev): -42.0551 -42.0551 -41.9984 -41.9984 -21.0763 -21.0763 -20.9028 -20.9028 -20.5805 -20.5805 -20.4360 -20.4360 -20.3866 -20.3866 -20.3592 -20.3592 -2.5977 -2.5977 3.3820 3.3820 5.0996 5.0996 5.6129 5.6129 6.3247 6.3247 8.3058 8.3058 8.3979 8.3979 8.9889 8.9889 9.6820 9.6820 k = 0.0753 0.1304 0.2526 ( 2770 PWs) bands (ev): -42.0560 -42.0560 -41.9987 -41.9987 -21.0764 -21.0764 -20.8998 -20.8998 -20.5793 -20.5793 -20.4319 -20.4319 -20.3851 -20.3851 -20.3571 -20.3571 -2.6186 -2.6186 3.3386 3.3386 5.1512 5.1512 5.6143 5.6143 6.3006 6.3006 8.2999 8.2999 8.4477 8.4477 8.9736 8.9736 9.6904 9.6904 k = 0.0699 0.1211 0.2526 ( 2778 PWs) bands (ev): -42.0568 -42.0568 -41.9990 -41.9990 -21.0765 -21.0765 -20.8969 -20.8969 -20.5782 -20.5782 -20.4280 -20.4280 -20.3840 -20.3840 -20.3551 -20.3551 -2.6383 -2.6383 3.2978 3.2978 5.2017 5.2017 5.6147 5.6147 6.2786 6.2786 8.2923 8.2923 8.4956 8.4956 8.9577 8.9577 9.7018 9.7019 k = 0.0645 0.1117 0.2526 ( 2778 PWs) bands (ev): -42.0577 -42.0577 -41.9992 -41.9992 -21.0766 -21.0766 -20.8943 -20.8943 -20.5772 -20.5772 -20.4241 -20.4241 -20.3831 -20.3831 -20.3530 -20.3530 -2.6569 -2.6569 3.2596 3.2596 5.2511 5.2511 5.6145 5.6145 6.2586 6.2586 8.2831 8.2831 8.5413 8.5413 8.9416 8.9416 9.7162 9.7162 k = 0.0591 0.1024 0.2526 ( 2776 PWs) bands (ev): -42.0584 -42.0584 -41.9994 -41.9994 -21.0767 -21.0767 -20.8918 -20.8918 -20.5762 -20.5762 -20.4204 -20.4204 -20.3824 -20.3824 -20.3509 -20.3509 -2.6742 -2.6742 3.2242 3.2242 5.2989 5.2989 5.6137 5.6137 6.2406 6.2406 8.2725 8.2725 8.5844 8.5844 8.9256 8.9256 9.7325 9.7325 k = 0.0538 0.0931 0.2526 ( 2776 PWs) bands (ev): -42.0591 -42.0591 -41.9997 -41.9997 -21.0769 -21.0769 -20.8896 -20.8896 -20.5753 -20.5753 -20.4169 -20.4169 -20.3820 -20.3820 -20.3489 -20.3489 -2.6902 -2.6902 3.1916 3.1916 5.3446 5.3446 5.6123 5.6123 6.2245 6.2245 8.2608 8.2608 8.6246 8.6246 8.9101 8.9101 9.7389 9.7391 k = 0.0484 0.0838 0.2526 ( 2780 PWs) bands (ev): -42.0598 -42.0598 -41.9999 -41.9999 -21.0770 -21.0770 -20.8875 -20.8875 -20.5744 -20.5744 -20.4135 -20.4135 -20.3819 -20.3819 -20.3470 -20.3470 -2.7048 -2.7048 3.1619 3.1619 5.3879 5.3879 5.6106 5.6106 6.2102 6.2102 8.2483 8.2483 8.6616 8.6616 8.8953 8.8953 9.7218 9.7219 k = 0.0430 0.0745 0.2526 ( 2776 PWs) bands (ev): -42.0603 -42.0603 -42.0000 -42.0000 -21.0771 -21.0771 -20.8857 -20.8857 -20.5737 -20.5737 -20.4103 -20.4103 -20.3819 -20.3819 -20.3452 -20.3452 -2.7180 -2.7180 3.1352 3.1352 5.4284 5.4284 5.6086 5.6086 6.1977 6.1977 8.2353 8.2353 8.6950 8.6950 8.8815 8.8815 9.7029 9.7029 k = 0.0376 0.0652 0.2526 ( 2792 PWs) bands (ev): -42.0608 -42.0608 -42.0002 -42.0002 -21.0772 -21.0772 -20.8841 -20.8841 -20.5730 -20.5730 -20.4073 -20.4073 -20.3823 -20.3823 -20.3436 -20.3436 -2.7298 -2.7298 3.1114 3.1114 5.4653 5.4653 5.6065 5.6065 6.1868 6.1868 8.2224 8.2224 8.7247 8.7247 8.8688 8.8688 9.6852 9.6852 k = 0.0323 0.0559 0.2526 ( 2792 PWs) bands (ev): -42.0613 -42.0613 -42.0003 -42.0003 -21.0773 -21.0773 -20.8827 -20.8827 -20.5724 -20.5724 -20.4044 -20.4044 -20.3827 -20.3827 -20.3422 -20.3422 -2.7401 -2.7401 3.0907 3.0907 5.4986 5.4986 5.6044 5.6044 6.1776 6.1776 8.2099 8.2099 8.7508 8.7508 8.8575 8.8575 9.6693 9.6693 k = 0.0269 0.0466 0.2526 ( 2796 PWs) bands (ev): -42.0617 -42.0617 -42.0005 -42.0005 -21.0774 -21.0774 -20.8815 -20.8815 -20.5719 -20.5719 -20.4017 -20.4017 -20.3834 -20.3834 -20.3409 -20.3409 -2.7488 -2.7488 3.0731 3.0731 5.5277 5.5277 5.6024 5.6024 6.1699 6.1699 8.1983 8.1983 8.7727 8.7727 8.8477 8.8477 9.6555 9.6555 k = 0.0215 0.0372 0.2526 ( 2792 PWs) bands (ev): -42.0620 -42.0620 -42.0006 -42.0006 -21.0775 -21.0775 -20.8805 -20.8805 -20.5715 -20.5715 -20.3992 -20.3992 -20.3843 -20.3843 -20.3398 -20.3398 -2.7560 -2.7560 3.0587 3.0587 5.5521 5.5521 5.6007 5.6007 6.1637 6.1637 8.1882 8.1882 8.7907 8.7907 8.8397 8.8397 9.6441 9.6441 k = 0.0161 0.0279 0.2526 ( 2800 PWs) bands (ev): -42.0622 -42.0622 -42.0006 -42.0006 -21.0776 -21.0776 -20.8797 -20.8797 -20.5712 -20.5712 -20.3969 -20.3969 -20.3853 -20.3853 -20.3390 -20.3390 -2.7617 -2.7617 3.0474 3.0474 5.5715 5.5715 5.5992 5.5992 6.1589 6.1589 8.1797 8.1797 8.8043 8.8043 8.8337 8.8337 9.6352 9.6352 k = 0.0108 0.0186 0.2526 ( 2804 PWs) bands (ev): -42.0624 -42.0624 -42.0007 -42.0007 -21.0776 -21.0776 -20.8792 -20.8792 -20.5709 -20.5709 -20.3949 -20.3949 -20.3864 -20.3864 -20.3384 -20.3384 -2.7657 -2.7657 3.0393 3.0393 5.5856 5.5856 5.5980 5.5980 6.1555 6.1555 8.1735 8.1735 8.8132 8.8132 8.8301 8.8301 9.6288 9.6288 k = 0.0054 0.0093 0.2526 ( 2800 PWs) bands (ev): -42.0625 -42.0625 -42.0007 -42.0007 -21.0777 -21.0777 -20.8788 -20.8788 -20.5708 -20.5708 -20.3933 -20.3933 -20.3874 -20.3874 -20.3380 -20.3380 -2.7681 -2.7681 3.0345 3.0345 5.5942 5.5942 5.5974 5.5974 6.1535 6.1535 8.1696 8.1696 8.8172 8.8172 8.8294 8.8294 9.6249 9.6249 k = 0.0000 0.0000 0.2526 ( 2800 PWs) bands (ev): -42.0625 -42.0625 -42.0007 -42.0007 -21.0777 -21.0777 -20.8787 -20.8787 -20.5707 -20.5707 -20.3927 -20.3927 -20.3879 -20.3879 -20.3379 -20.3379 -2.7689 -2.7689 3.0329 3.0329 5.5969 5.5969 5.5974 5.5974 6.1528 6.1528 8.1683 8.1683 8.8179 8.8179 8.8298 8.8298 9.6236 9.6236 k = 0.5000 0.2887 0.2526 ( 2764 PWs) bands (ev): -42.0146 -42.0146 -41.9943 -41.9943 -21.0715 -21.0715 -21.0564 -21.0564 -20.5985 -20.5985 -20.5682 -20.5682 -20.4785 -20.4785 -20.3943 -20.3943 -1.8177 -1.8177 3.6394 3.6394 5.3049 5.3049 5.6496 5.6496 6.9408 6.9408 7.8485 7.8485 7.9911 7.9911 9.6769 9.6769 10.2937 10.2938 k = 0.5000 0.2887 0.2421 ( 2752 PWs) bands (ev): -42.0146 -42.0146 -41.9943 -41.9943 -21.0715 -21.0715 -21.0564 -21.0564 -20.5985 -20.5985 -20.5681 -20.5681 -20.4784 -20.4784 -20.3942 -20.3942 -1.8176 -1.8176 3.6394 3.6394 5.3051 5.3051 5.6496 5.6496 6.9407 6.9407 7.8476 7.8476 7.9914 7.9914 9.6784 9.6784 10.2941 10.2941 k = 0.5000 0.2887 0.2316 ( 2744 PWs) bands (ev): -42.0146 -42.0146 -41.9943 -41.9943 -21.0715 -21.0715 -21.0563 -21.0563 -20.5984 -20.5984 -20.5681 -20.5681 -20.4784 -20.4784 -20.3942 -20.3942 -1.8176 -1.8176 3.6393 3.6393 5.3057 5.3057 5.6495 5.6495 6.9403 6.9403 7.8448 7.8448 7.9922 7.9922 9.6827 9.6827 10.2953 10.2953 k = 0.5000 0.2887 0.2211 ( 2750 PWs) bands (ev): -42.0146 -42.0146 -41.9943 -41.9943 -21.0715 -21.0715 -21.0563 -21.0563 -20.5985 -20.5985 -20.5681 -20.5681 -20.4785 -20.4785 -20.3942 -20.3942 -1.8176 -1.8176 3.6389 3.6389 5.3064 5.3064 5.6493 5.6493 6.9395 6.9395 7.8401 7.8401 7.9934 7.9934 9.6898 9.6898 10.2972 10.2972 k = 0.5000 0.2887 0.2105 ( 2746 PWs) bands (ev): -42.0146 -42.0146 -41.9943 -41.9943 -21.0715 -21.0715 -21.0563 -21.0563 -20.5984 -20.5984 -20.5681 -20.5681 -20.4785 -20.4785 -20.3942 -20.3942 -1.8176 -1.8176 3.6386 3.6386 5.3074 5.3074 5.6491 5.6491 6.9385 6.9385 7.8336 7.8336 7.9951 7.9951 9.6996 9.6996 10.2998 10.2998 k = 0.5000 0.2887 0.2000 ( 2758 PWs) bands (ev): -42.0147 -42.0147 -41.9943 -41.9943 -21.0715 -21.0715 -21.0563 -21.0563 -20.5985 -20.5985 -20.5681 -20.5681 -20.4786 -20.4786 -20.3942 -20.3942 -1.8175 -1.8175 3.6380 3.6380 5.3086 5.3086 5.6488 5.6488 6.9371 6.9371 7.8256 7.8256 7.9972 7.9972 9.7119 9.7119 10.3032 10.3032 k = 0.5000 0.2887 0.1895 ( 2758 PWs) bands (ev): -42.0147 -42.0147 -41.9943 -41.9943 -21.0715 -21.0715 -21.0563 -21.0563 -20.5985 -20.5985 -20.5681 -20.5681 -20.4786 -20.4786 -20.3943 -20.3943 -1.8175 -1.8175 3.6375 3.6375 5.3102 5.3102 5.6483 5.6483 6.9356 6.9356 7.8162 7.8162 7.9997 7.9997 9.7264 9.7264 10.3073 10.3073 k = 0.5000 0.2887 0.1790 ( 2758 PWs) bands (ev): -42.0147 -42.0147 -41.9943 -41.9943 -21.0715 -21.0715 -21.0563 -21.0563 -20.5985 -20.5985 -20.5681 -20.5681 -20.4786 -20.4786 -20.3943 -20.3943 -1.8174 -1.8174 3.6368 3.6368 5.3119 5.3119 5.6479 5.6479 6.9338 6.9338 7.8056 7.8056 8.0025 8.0025 9.7429 9.7429 10.3121 10.3121 k = 0.5000 0.2887 0.1684 ( 2760 PWs) bands (ev): -42.0147 -42.0147 -41.9943 -41.9943 -21.0715 -21.0715 -21.0562 -21.0562 -20.5985 -20.5985 -20.5681 -20.5681 -20.4787 -20.4787 -20.3943 -20.3943 -1.8174 -1.8174 3.6361 3.6361 5.3138 5.3138 5.6475 5.6475 6.9317 6.9317 7.7941 7.7941 8.0056 8.0056 9.7611 9.7611 10.3175 10.3175 k = 0.5000 0.2887 0.1579 ( 2760 PWs) bands (ev): -42.0147 -42.0147 -41.9943 -41.9943 -21.0715 -21.0715 -21.0562 -21.0562 -20.5985 -20.5985 -20.5681 -20.5681 -20.4787 -20.4787 -20.3942 -20.3942 -1.8173 -1.8173 3.6353 3.6353 5.3159 5.3159 5.6471 5.6471 6.9295 6.9295 7.7819 7.7819 8.0089 8.0089 9.7807 9.7807 10.3236 10.3236 k = 0.5000 0.2887 0.1474 ( 2768 PWs) bands (ev): -42.0147 -42.0147 -41.9943 -41.9943 -21.0715 -21.0715 -21.0562 -21.0562 -20.5985 -20.5985 -20.5681 -20.5681 -20.4788 -20.4788 -20.3943 -20.3943 -1.8173 -1.8173 3.6344 3.6344 5.3181 5.3181 5.6466 5.6466 6.9272 6.9272 7.7691 7.7691 8.0124 8.0124 9.8013 9.8013 10.3304 10.3304 k = 0.5000 0.2887 0.1369 ( 2768 PWs) bands (ev): -42.0147 -42.0147 -41.9943 -41.9943 -21.0715 -21.0715 -21.0562 -21.0562 -20.5985 -20.5985 -20.5681 -20.5681 -20.4789 -20.4789 -20.3942 -20.3942 -1.8172 -1.8172 3.6335 3.6335 5.3205 5.3205 5.6461 5.6461 6.9247 6.9247 7.7561 7.7561 8.0160 8.0160 9.8226 9.8226 10.3377 10.3377 k = 0.5000 0.2887 0.1263 ( 2774 PWs) bands (ev): -42.0147 -42.0147 -41.9943 -41.9943 -21.0716 -21.0716 -21.0562 -21.0562 -20.5986 -20.5986 -20.5681 -20.5681 -20.4789 -20.4789 -20.3943 -20.3943 -1.8172 -1.8172 3.6326 3.6326 5.3229 5.3229 5.6456 5.6456 6.9222 6.9222 7.7431 7.7431 8.0196 8.0196 9.8442 9.8442 10.3455 10.3455 k = 0.5000 0.2887 0.1158 ( 2778 PWs) bands (ev): -42.0147 -42.0147 -41.9943 -41.9943 -21.0716 -21.0716 -21.0561 -21.0561 -20.5986 -20.5986 -20.5681 -20.5681 -20.4790 -20.4790 -20.3943 -20.3943 -1.8172 -1.8172 3.6317 3.6317 5.3253 5.3253 5.6451 5.6451 6.9196 6.9196 7.7302 7.7302 8.0232 8.0232 9.8656 9.8656 10.3538 10.3539 k = 0.5000 0.2887 0.1053 ( 2780 PWs) bands (ev): -42.0147 -42.0147 -41.9943 -41.9943 -21.0716 -21.0716 -21.0561 -21.0561 -20.5986 -20.5986 -20.5680 -20.5680 -20.4790 -20.4790 -20.3942 -20.3942 -1.8171 -1.8171 3.6309 3.6309 5.3277 5.3277 5.6446 5.6446 6.9171 6.9171 7.7177 7.7177 8.0267 8.0267 9.8866 9.8866 10.3624 10.3625 k = 0.5000 0.2887 0.0947 ( 2772 PWs) bands (ev): -42.0147 -42.0147 -41.9943 -41.9943 -21.0716 -21.0716 -21.0560 -21.0560 -20.5986 -20.5986 -20.5680 -20.5680 -20.4791 -20.4791 -20.3942 -20.3942 -1.8171 -1.8171 3.6301 3.6301 5.3301 5.3301 5.6442 5.6442 6.9146 6.9146 7.7059 7.7059 8.0302 8.0302 9.9067 9.9067 10.3713 10.3713 k = 0.5000 0.2887 0.0842 ( 2780 PWs) bands (ev): -42.0147 -42.0147 -41.9943 -41.9943 -21.0716 -21.0716 -21.0560 -21.0560 -20.5987 -20.5987 -20.5680 -20.5680 -20.4792 -20.4792 -20.3942 -20.3942 -1.8171 -1.8171 3.6292 3.6292 5.3322 5.3322 5.6437 5.6437 6.9122 6.9122 7.6948 7.6948 8.0334 8.0334 9.9256 9.9256 10.3802 10.3803 k = 0.5000 0.2887 0.0737 ( 2780 PWs) bands (ev): -42.0147 -42.0147 -41.9943 -41.9943 -21.0716 -21.0716 -21.0560 -21.0560 -20.5987 -20.5987 -20.5679 -20.5679 -20.4792 -20.4792 -20.3942 -20.3942 -1.8170 -1.8170 3.6285 3.6285 5.3343 5.3343 5.6433 5.6433 6.9100 6.9100 7.6846 7.6846 8.0364 8.0364 9.9430 9.9430 10.3890 10.3892 k = 0.5000 0.2887 0.0632 ( 2780 PWs) bands (ev): -42.0147 -42.0147 -41.9942 -41.9942 -21.0716 -21.0716 -21.0559 -21.0559 -20.5987 -20.5987 -20.5679 -20.5679 -20.4793 -20.4793 -20.3942 -20.3942 -1.8170 -1.8170 3.6279 3.6279 5.3362 5.3362 5.6429 5.6429 6.9080 6.9080 7.6755 7.6755 8.0391 8.0391 9.9586 9.9586 10.3975 10.3975 k = 0.5000 0.2887 0.0526 ( 2782 PWs) bands (ev): -42.0147 -42.0147 -41.9942 -41.9942 -21.0716 -21.0716 -21.0559 -21.0559 -20.5987 -20.5987 -20.5679 -20.5679 -20.4793 -20.4793 -20.3942 -20.3942 -1.8169 -1.8169 3.6273 3.6273 5.3378 5.3378 5.6425 5.6425 6.9063 6.9063 7.6676 7.6676 8.0414 8.0414 9.9721 9.9721 10.4053 10.4055 k = 0.5000 0.2887 0.0421 ( 2774 PWs) bands (ev): -42.0147 -42.0147 -41.9942 -41.9942 -21.0716 -21.0716 -21.0559 -21.0559 -20.5987 -20.5987 -20.5679 -20.5679 -20.4793 -20.4793 -20.3942 -20.3942 -1.8169 -1.8169 3.6268 3.6268 5.3393 5.3393 5.6423 5.6423 6.9048 6.9048 7.6610 7.6610 8.0434 8.0434 9.9835 9.9835 10.4122 10.4122 k = 0.5000 0.2887 0.0316 ( 2778 PWs) bands (ev): -42.0147 -42.0147 -41.9942 -41.9942 -21.0716 -21.0716 -21.0559 -21.0559 -20.5987 -20.5987 -20.5679 -20.5679 -20.4794 -20.4794 -20.3942 -20.3942 -1.8168 -1.8168 3.6265 3.6265 5.3404 5.3404 5.6421 5.6421 6.9036 6.9036 7.6558 7.6558 8.0450 8.0450 9.9924 9.9924 10.4179 10.4184 k = 0.5000 0.2887 0.0211 ( 2778 PWs) bands (ev): -42.0147 -42.0147 -41.9942 -41.9942 -21.0716 -21.0716 -21.0559 -21.0559 -20.5987 -20.5987 -20.5679 -20.5679 -20.4794 -20.4794 -20.3942 -20.3942 -1.8168 -1.8168 3.6262 3.6262 5.3412 5.3412 5.6419 5.6419 6.9027 6.9027 7.6520 7.6520 8.0462 8.0462 9.9989 9.9989 10.4222 10.4222 k = 0.5000 0.2887 0.0105 ( 2774 PWs) bands (ev): -42.0147 -42.0147 -41.9942 -41.9942 -21.0716 -21.0716 -21.0558 -21.0558 -20.5987 -20.5987 -20.5679 -20.5679 -20.4794 -20.4794 -20.3942 -20.3942 -1.8168 -1.8168 3.6260 3.6260 5.3417 5.3417 5.6418 5.6418 6.9021 6.9021 7.6497 7.6497 8.0469 8.0469 10.0028 10.0028 10.4248 10.4252 k = 0.5000 0.2887-0.0000 ( 2768 PWs) bands (ev): -42.0147 -42.0147 -41.9942 -41.9942 -21.0716 -21.0716 -21.0558 -21.0558 -20.5987 -20.5987 -20.5679 -20.5679 -20.4794 -20.4794 -20.3942 -20.3942 -1.8167 -1.8167 3.6260 3.6260 5.3419 5.3419 5.6419 5.6419 6.9020 6.9020 7.6490 7.6490 8.0471 8.0471 10.0041 10.0041 10.4258 10.4259 k = 0.3333 0.5774-0.0000 ( 2757 PWs) bands (ev): -42.0011 -42.0011 -42.0011 -42.0011 -21.0631 -21.0631 -21.0562 -21.0562 -20.6403 -20.6403 -20.5320 -20.5320 -20.5114 -20.5114 -20.4320 -20.4320 -1.7102 -1.7102 4.4985 4.4985 4.5109 4.5109 5.4208 5.4208 7.7588 7.7588 7.7961 7.7961 7.8000 7.8000 9.6921 9.6921 10.2440 10.2454 k = 0.3333 0.5774 0.0105 ( 2769 PWs) bands (ev): -42.0011 -42.0011 -42.0011 -42.0011 -21.0631 -21.0631 -21.0563 -21.0563 -20.6403 -20.6403 -20.5321 -20.5321 -20.5115 -20.5115 -20.4320 -20.4320 -1.7103 -1.7103 4.4984 4.4984 4.5108 4.5108 5.4204 5.4204 7.7603 7.7603 7.7965 7.7965 7.8004 7.8004 9.6894 9.6894 10.2391 10.2399 k = 0.3333 0.5774 0.0211 ( 2775 PWs) bands (ev): -42.0011 -42.0011 -42.0011 -42.0011 -21.0631 -21.0631 -21.0563 -21.0563 -20.6403 -20.6403 -20.5321 -20.5321 -20.5115 -20.5115 -20.4320 -20.4320 -1.7104 -1.7104 4.4983 4.4983 4.5107 4.5107 5.4196 5.4196 7.7651 7.7651 7.7979 7.7979 7.8018 7.8018 9.6814 9.6814 10.2225 10.2235 k = 0.3333 0.5774 0.0316 ( 2772 PWs) bands (ev): -42.0011 -42.0011 -42.0011 -42.0011 -21.0631 -21.0631 -21.0563 -21.0563 -20.6403 -20.6403 -20.5321 -20.5321 -20.5115 -20.5115 -20.4320 -20.4320 -1.7104 -1.7104 4.4982 4.4982 4.5106 4.5106 5.4183 5.4183 7.7729 7.7729 7.8003 7.8003 7.8042 7.8042 9.6682 9.6682 10.1982 10.1994 k = 0.3333 0.5774 0.0421 ( 2772 PWs) bands (ev): -42.0011 -42.0011 -42.0011 -42.0011 -21.0631 -21.0631 -21.0563 -21.0563 -20.6404 -20.6404 -20.5321 -20.5321 -20.5114 -20.5114 -20.4320 -20.4320 -1.7104 -1.7104 4.4981 4.4981 4.5104 4.5104 5.4165 5.4165 7.7839 7.7839 7.8035 7.8035 7.8076 7.8076 9.6499 9.6499 10.1692 10.1697 k = 0.3333 0.5774 0.0526 ( 2772 PWs) bands (ev): -42.0011 -42.0011 -42.0011 -42.0011 -21.0631 -21.0631 -21.0563 -21.0563 -20.6404 -20.6404 -20.5321 -20.5321 -20.5114 -20.5114 -20.4319 -20.4319 -1.7104 -1.7104 4.4978 4.4978 4.5101 4.5101 5.4142 5.4142 7.7977 7.7977 7.8076 7.8076 7.8119 7.8119 9.6269 9.6269 10.1369 10.1372 k = 0.3333 0.5774 0.0632 ( 2772 PWs) bands (ev): -42.0011 -42.0011 -42.0011 -42.0011 -21.0631 -21.0631 -21.0563 -21.0563 -20.6404 -20.6404 -20.5321 -20.5321 -20.5114 -20.5114 -20.4319 -20.4319 -1.7103 -1.7103 4.4976 4.4976 4.5099 4.5099 5.4115 5.4115 7.8125 7.8125 7.8133 7.8133 7.8182 7.8182 9.5995 9.5995 10.1028 10.1031 k = 0.3333 0.5774 0.0737 ( 2772 PWs) bands (ev): -42.0011 -42.0011 -42.0011 -42.0011 -21.0631 -21.0631 -21.0564 -21.0564 -20.6404 -20.6404 -20.5321 -20.5321 -20.5114 -20.5114 -20.4318 -20.4318 -1.7103 -1.7103 4.4973 4.4973 4.5095 4.5095 5.4085 5.4085 7.8181 7.8181 7.8216 7.8216 7.8353 7.8353 9.5680 9.5680 10.0675 10.0677 k = 0.3333 0.5774 0.0842 ( 2769 PWs) bands (ev): -42.0011 -42.0011 -42.0011 -42.0011 -21.0631 -21.0631 -21.0564 -21.0564 -20.6405 -20.6405 -20.5321 -20.5321 -20.5113 -20.5113 -20.4318 -20.4318 -1.7103 -1.7103 4.4970 4.4970 4.5092 4.5092 5.4051 5.4051 7.8244 7.8244 7.8282 7.8282 7.8576 7.8576 9.5330 9.5330 10.0321 10.0322 k = 0.3333 0.5774 0.0947 ( 2769 PWs) bands (ev): -42.0011 -42.0011 -42.0011 -42.0011 -21.0631 -21.0631 -21.0564 -21.0564 -20.6405 -20.6405 -20.5321 -20.5321 -20.5113 -20.5113 -20.4317 -20.4317 -1.7103 -1.7103 4.4966 4.4966 4.5088 4.5088 5.4016 5.4016 7.8312 7.8312 7.8352 7.8352 7.8826 7.8826 9.4947 9.4947 9.9968 9.9969 k = 0.3333 0.5774 0.1053 ( 2760 PWs) bands (ev): -42.0011 -42.0011 -42.0011 -42.0011 -21.0631 -21.0631 -21.0564 -21.0564 -20.6405 -20.6405 -20.5321 -20.5321 -20.5113 -20.5113 -20.4316 -20.4316 -1.7103 -1.7103 4.4963 4.4963 4.5084 4.5084 5.3979 5.3979 7.8387 7.8387 7.8427 7.8427 7.9101 7.9101 9.4537 9.4537 9.9622 9.9623 k = 0.3333 0.5774 0.1158 ( 2763 PWs) bands (ev): -42.0011 -42.0011 -42.0011 -42.0011 -21.0631 -21.0631 -21.0564 -21.0564 -20.6406 -20.6406 -20.5321 -20.5321 -20.5112 -20.5112 -20.4316 -20.4316 -1.7103 -1.7103 4.4959 4.4959 4.5079 4.5079 5.3940 5.3940 7.8463 7.8463 7.8505 7.8505 7.9397 7.9397 9.4104 9.4104 9.9285 9.9285 k = 0.3333 0.5774 0.1263 ( 2766 PWs) bands (ev): -42.0011 -42.0011 -42.0011 -42.0011 -21.0631 -21.0631 -21.0565 -21.0565 -20.6406 -20.6406 -20.5322 -20.5322 -20.5112 -20.5112 -20.4315 -20.4315 -1.7103 -1.7103 4.4955 4.4955 4.5075 4.5075 5.3901 5.3901 7.8543 7.8543 7.8585 7.8585 7.9714 7.9714 9.3652 9.3652 9.8960 9.8961 k = 0.3333 0.5774 0.1369 ( 2766 PWs) bands (ev): -42.0011 -42.0011 -42.0011 -42.0011 -21.0631 -21.0631 -21.0565 -21.0565 -20.6407 -20.6407 -20.5322 -20.5322 -20.5112 -20.5112 -20.4315 -20.4315 -1.7103 -1.7103 4.4951 4.4951 4.5071 4.5071 5.3863 5.3863 7.8623 7.8623 7.8667 7.8667 8.0048 8.0048 9.3186 9.3186 9.8650 9.8651 k = 0.3333 0.5774 0.1474 ( 2760 PWs) bands (ev): -42.0011 -42.0011 -42.0011 -42.0011 -21.0631 -21.0631 -21.0565 -21.0565 -20.6407 -20.6407 -20.5322 -20.5322 -20.5111 -20.5111 -20.4314 -20.4314 -1.7102 -1.7102 4.4947 4.4947 4.5066 4.5066 5.3825 5.3825 7.8704 7.8704 7.8748 7.8748 8.0397 8.0397 9.2712 9.2712 9.8358 9.8359 k = 0.3333 0.5774 0.1579 ( 2760 PWs) bands (ev): -42.0011 -42.0011 -42.0011 -42.0011 -21.0631 -21.0631 -21.0565 -21.0565 -20.6407 -20.6407 -20.5322 -20.5322 -20.5111 -20.5111 -20.4314 -20.4314 -1.7102 -1.7102 4.4943 4.4943 4.5062 4.5062 5.3789 5.3789 7.8782 7.8782 7.8828 7.8828 8.0756 8.0756 9.2233 9.2233 9.8084 9.8086 k = 0.3333 0.5774 0.1684 ( 2760 PWs) bands (ev): -42.0011 -42.0011 -42.0011 -42.0011 -21.0631 -21.0631 -21.0566 -21.0566 -20.6408 -20.6408 -20.5322 -20.5322 -20.5111 -20.5111 -20.4313 -20.4313 -1.7102 -1.7102 4.4940 4.4940 4.5058 4.5058 5.3755 5.3755 7.8858 7.8858 7.8904 7.8904 8.1122 8.1122 9.1757 9.1757 9.7833 9.7835 k = 0.3333 0.5774 0.1790 ( 2757 PWs) bands (ev): -42.0011 -42.0011 -42.0011 -42.0011 -21.0631 -21.0631 -21.0566 -21.0566 -20.6408 -20.6408 -20.5322 -20.5322 -20.5110 -20.5110 -20.4312 -20.4312 -1.7102 -1.7102 4.4937 4.4937 4.5055 4.5055 5.3723 5.3723 7.8929 7.8929 7.8976 7.8976 8.1489 8.1489 9.1290 9.1290 9.7606 9.7609 k = 0.3333 0.5774 0.1895 ( 2757 PWs) bands (ev): -42.0011 -42.0011 -42.0011 -42.0011 -21.0631 -21.0631 -21.0566 -21.0566 -20.6408 -20.6408 -20.5322 -20.5322 -20.5110 -20.5110 -20.4312 -20.4312 -1.7102 -1.7102 4.4934 4.4934 4.5051 4.5051 5.3695 5.3695 7.8994 7.8994 7.9041 7.9041 8.1850 8.1850 9.0841 9.0841 9.7404 9.7407 k = 0.3333 0.5774 0.2000 ( 2748 PWs) bands (ev): -42.0011 -42.0011 -42.0011 -42.0011 -21.0631 -21.0631 -21.0566 -21.0566 -20.6408 -20.6408 -20.5322 -20.5322 -20.5109 -20.5109 -20.4311 -20.4311 -1.7101 -1.7101 4.4932 4.4932 4.5049 4.5049 5.3671 5.3671 7.9052 7.9052 7.9100 7.9100 8.2196 8.2196 9.0418 9.0418 9.7231 9.7234 k = 0.3333 0.5774 0.2105 ( 2760 PWs) bands (ev): -42.0011 -42.0011 -42.0011 -42.0011 -21.0631 -21.0631 -21.0567 -21.0567 -20.6409 -20.6409 -20.5322 -20.5322 -20.5110 -20.5110 -20.4311 -20.4311 -1.7101 -1.7101 4.4929 4.4929 4.5046 4.5046 5.3650 5.3650 7.9101 7.9101 7.9149 7.9149 8.2515 8.2515 9.0035 9.0035 9.7086 9.7089 k = 0.3333 0.5774 0.2211 ( 2760 PWs) bands (ev): -42.0011 -42.0011 -42.0011 -42.0011 -21.0631 -21.0631 -21.0567 -21.0567 -20.6409 -20.6409 -20.5322 -20.5322 -20.5110 -20.5110 -20.4311 -20.4311 -1.7101 -1.7101 4.4927 4.4927 4.5044 4.5044 5.3634 5.3634 7.9140 7.9140 7.9189 7.9189 8.2793 8.2793 8.9707 8.9707 9.6971 9.6975 k = 0.3333 0.5774 0.2316 ( 2760 PWs) bands (ev): -42.0011 -42.0011 -42.0011 -42.0011 -21.0631 -21.0631 -21.0567 -21.0567 -20.6409 -20.6409 -20.5322 -20.5322 -20.5110 -20.5110 -20.4311 -20.4311 -1.7101 -1.7101 4.4926 4.4926 4.5043 4.5043 5.3622 5.3622 7.9169 7.9169 7.9218 7.9218 8.3012 8.3012 8.9452 8.9452 9.6891 9.6893 k = 0.3333 0.5774 0.2421 ( 2766 PWs) bands (ev): -42.0011 -42.0011 -42.0011 -42.0011 -21.0632 -21.0632 -21.0567 -21.0567 -20.6409 -20.6409 -20.5322 -20.5322 -20.5110 -20.5110 -20.4311 -20.4311 -1.7102 -1.7102 4.4925 4.4925 4.5042 4.5042 5.3614 5.3614 7.9186 7.9186 7.9235 7.9235 8.3153 8.3153 8.9289 8.9289 9.6840 9.6842 k = 0.3333 0.5774 0.2526 ( 2778 PWs) bands (ev): -42.0011 -42.0011 -42.0011 -42.0011 -21.0632 -21.0632 -21.0567 -21.0567 -20.6410 -20.6410 -20.5323 -20.5323 -20.5110 -20.5110 -20.4311 -20.4311 -1.7102 -1.7102 4.4924 4.4924 4.5041 4.5041 5.3611 5.3611 7.9192 7.9192 7.9241 7.9241 8.3201 8.3201 8.9233 8.9233 9.6825 9.6827 Writing output data file Sc2C.save init_run : 0.27s CPU 0.59s WALL ( 1 calls) electrons : 156.72s CPU 160.75s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.11s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 156.72s CPU 160.74s 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 : 0.03s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.04s WALL ( 375 calls) cegterg : 149.61s CPU 152.29s WALL ( 1150 calls) Called by sum_band: Called by *egterg: h_psi : 63.76s CPU 65.04s WALL ( 20844 calls) s_psi : 3.18s CPU 3.04s WALL ( 20844 calls) g_psi : 0.22s CPU 0.20s WALL ( 19319 calls) cdiaghg : 75.84s CPU 77.20s WALL ( 19694 calls) cegterg:over : 4.29s CPU 4.50s WALL ( 19319 calls) cegterg:upda : 3.27s CPU 3.41s WALL ( 19319 calls) cegterg:last : 1.64s CPU 1.62s WALL ( 2312 calls) cdiaghg:chol : 3.88s CPU 3.87s WALL ( 19694 calls) cdiaghg:inve : 1.70s CPU 1.84s WALL ( 19694 calls) cdiaghg:para : 4.40s CPU 4.59s WALL ( 39388 calls) Called by h_psi: h_psi:vloc : 56.60s CPU 57.77s WALL ( 20844 calls) h_psi:vnl : 7.05s CPU 7.15s WALL ( 20844 calls) add_vuspsi : 3.58s CPU 3.72s WALL ( 20844 calls) General routines calbec : 3.40s CPU 3.38s WALL ( 20844 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 52.06s CPU 53.18s WALL ( 993144 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.30s WALL ( 750 calls) Parallel routines fft_scatter : 21.22s CPU 21.87s WALL ( 993167 calls) PWSCF : 2m47.01s CPU 3m14.91s WALL This run was terminated on: 17:35:55 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=