Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:11:33 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: ./TiS2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 25 25 7 1027 1027 159 Max 26 26 9 1034 1034 166 Sum 913 913 265 37093 37093 5769 bravais-lattice index = 14 lattice parameter (alat) = 6.4194 a.u. unit-cell volume = 383.8016 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.419399 celldm(2)= 1.000000 celldm(3)= 1.675302 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 1.675302 ) 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 0.596907 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 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 Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 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 atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Ti 12.00 47.86700 Ti( 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= 387 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025840 k( 2) = ( 0.0092593 0.0053458 -0.0000000), wk = 0.0025840 k( 3) = ( 0.0185185 0.0106917 -0.0000000), wk = 0.0025840 k( 4) = ( 0.0277778 0.0160375 -0.0000000), wk = 0.0025840 k( 5) = ( 0.0370370 0.0213833 -0.0000000), wk = 0.0025840 k( 6) = ( 0.0462963 0.0267292 -0.0000000), wk = 0.0025840 k( 7) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0025840 k( 8) = ( 0.0648148 0.0374208 -0.0000000), wk = 0.0025840 k( 9) = ( 0.0740741 0.0427667 -0.0000000), wk = 0.0025840 k( 10) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0025840 k( 11) = ( 0.0925926 0.0534584 -0.0000000), wk = 0.0025840 k( 12) = ( 0.1018518 0.0588042 -0.0000000), wk = 0.0025840 k( 13) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0025840 k( 14) = ( 0.1203704 0.0694959 -0.0000000), wk = 0.0025840 k( 15) = ( 0.1296296 0.0748417 -0.0000000), wk = 0.0025840 k( 16) = ( 0.1388889 0.0801875 -0.0000000), wk = 0.0025840 k( 17) = ( 0.1481482 0.0855334 -0.0000000), wk = 0.0025840 k( 18) = ( 0.1574074 0.0908792 -0.0000000), wk = 0.0025840 k( 19) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0025840 k( 20) = ( 0.1759259 0.1015709 -0.0000000), wk = 0.0025840 k( 21) = ( 0.1851852 0.1069167 -0.0000000), wk = 0.0025840 k( 22) = ( 0.1944444 0.1122625 -0.0000000), wk = 0.0025840 k( 23) = ( 0.2037037 0.1176084 -0.0000000), wk = 0.0025840 k( 24) = ( 0.2129630 0.1229542 -0.0000000), wk = 0.0025840 k( 25) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0025840 k( 26) = ( 0.2314815 0.1336459 -0.0000000), wk = 0.0025840 k( 27) = ( 0.2407407 0.1389917 -0.0000000), wk = 0.0025840 k( 28) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0025840 k( 29) = ( 0.2592593 0.1496834 -0.0000000), wk = 0.0025840 k( 30) = ( 0.2685185 0.1550292 -0.0000000), wk = 0.0025840 k( 31) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0025840 k( 32) = ( 0.2870370 0.1657209 -0.0000000), wk = 0.0025840 k( 33) = ( 0.2962963 0.1710667 -0.0000000), wk = 0.0025840 k( 34) = ( 0.3055556 0.1764126 -0.0000000), wk = 0.0025840 k( 35) = ( 0.3148148 0.1817584 -0.0000000), wk = 0.0025840 k( 36) = ( 0.3240741 0.1871043 -0.0000000), wk = 0.0025840 k( 37) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0025840 k( 38) = ( 0.3425926 0.1977959 -0.0000000), wk = 0.0025840 k( 39) = ( 0.3518519 0.2031418 -0.0000000), wk = 0.0025840 k( 40) = ( 0.3611111 0.2084876 -0.0000000), wk = 0.0025840 k( 41) = ( 0.3703704 0.2138334 -0.0000000), wk = 0.0025840 k( 42) = ( 0.3796296 0.2191793 -0.0000000), wk = 0.0025840 k( 43) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0025840 k( 44) = ( 0.3981481 0.2298709 -0.0000000), wk = 0.0025840 k( 45) = ( 0.4074074 0.2352168 -0.0000000), wk = 0.0025840 k( 46) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0025840 k( 47) = ( 0.4259259 0.2459085 -0.0000000), wk = 0.0025840 k( 48) = ( 0.4351852 0.2512543 -0.0000000), wk = 0.0025840 k( 49) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0025840 k( 50) = ( 0.4537037 0.2619460 -0.0000000), wk = 0.0025840 k( 51) = ( 0.4629630 0.2672918 -0.0000000), wk = 0.0025840 k( 52) = ( 0.4722222 0.2726376 -0.0000000), wk = 0.0025840 k( 53) = ( 0.4814815 0.2779835 -0.0000000), wk = 0.0025840 k( 54) = ( 0.4907407 0.2833293 -0.0000000), wk = 0.0025840 k( 55) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0025840 k( 56) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0025840 k( 57) = ( 0.4946237 0.2979872 -0.0000000), wk = 0.0025840 k( 58) = ( 0.4892473 0.3072993 -0.0000000), wk = 0.0025840 k( 59) = ( 0.4838710 0.3166114 -0.0000000), wk = 0.0025840 k( 60) = ( 0.4784946 0.3259235 -0.0000000), wk = 0.0025840 k( 61) = ( 0.4731183 0.3352356 -0.0000000), wk = 0.0025840 k( 62) = ( 0.4677419 0.3445477 -0.0000000), wk = 0.0025840 k( 63) = ( 0.4623656 0.3538598 -0.0000000), wk = 0.0025840 k( 64) = ( 0.4569893 0.3631720 -0.0000000), wk = 0.0025840 k( 65) = ( 0.4516129 0.3724840 -0.0000000), wk = 0.0025840 k( 66) = ( 0.4462366 0.3817961 -0.0000000), wk = 0.0025840 k( 67) = ( 0.4408602 0.3911082 -0.0000000), wk = 0.0025840 k( 68) = ( 0.4354839 0.4004203 -0.0000000), wk = 0.0025840 k( 69) = ( 0.4301075 0.4097325 -0.0000000), wk = 0.0025840 k( 70) = ( 0.4247312 0.4190445 -0.0000000), wk = 0.0025840 k( 71) = ( 0.4193548 0.4283566 -0.0000000), wk = 0.0025840 k( 72) = ( 0.4139785 0.4376687 -0.0000000), wk = 0.0025840 k( 73) = ( 0.4086021 0.4469809 -0.0000000), wk = 0.0025840 k( 74) = ( 0.4032258 0.4562930 -0.0000000), wk = 0.0025840 k( 75) = ( 0.3978495 0.4656051 -0.0000000), wk = 0.0025840 k( 76) = ( 0.3924731 0.4749172 -0.0000000), wk = 0.0025840 k( 77) = ( 0.3870968 0.4842293 -0.0000000), wk = 0.0025840 k( 78) = ( 0.3817204 0.4935414 -0.0000000), wk = 0.0025840 k( 79) = ( 0.3763441 0.5028535 -0.0000000), wk = 0.0025840 k( 80) = ( 0.3709677 0.5121656 -0.0000000), wk = 0.0025840 k( 81) = ( 0.3655914 0.5214777 -0.0000000), wk = 0.0025840 k( 82) = ( 0.3602150 0.5307898 -0.0000000), wk = 0.0025840 k( 83) = ( 0.3548387 0.5401019 -0.0000000), wk = 0.0025840 k( 84) = ( 0.3494624 0.5494140 -0.0000000), wk = 0.0025840 k( 85) = ( 0.3440860 0.5587261 -0.0000000), wk = 0.0025840 k( 86) = ( 0.3387097 0.5680382 -0.0000000), wk = 0.0025840 k( 87) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0025840 k( 88) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0025840 k( 89) = ( 0.3279570 0.5680382 -0.0000000), wk = 0.0025840 k( 90) = ( 0.3225807 0.5587261 -0.0000000), wk = 0.0025840 k( 91) = ( 0.3172043 0.5494140 -0.0000000), wk = 0.0025840 k( 92) = ( 0.3118280 0.5401019 -0.0000000), wk = 0.0025840 k( 93) = ( 0.3064516 0.5307898 -0.0000000), wk = 0.0025840 k( 94) = ( 0.3010753 0.5214777 -0.0000000), wk = 0.0025840 k( 95) = ( 0.2956989 0.5121656 -0.0000000), wk = 0.0025840 k( 96) = ( 0.2903226 0.5028535 -0.0000000), wk = 0.0025840 k( 97) = ( 0.2849462 0.4935414 -0.0000000), wk = 0.0025840 k( 98) = ( 0.2795699 0.4842293 -0.0000000), wk = 0.0025840 k( 99) = ( 0.2741936 0.4749172 -0.0000000), wk = 0.0025840 k( 100) = ( 0.2688172 0.4656050 -0.0000000), wk = 0.0025840 k( 101) = ( 0.2634409 0.4562930 -0.0000000), wk = 0.0025840 k( 102) = ( 0.2580645 0.4469809 -0.0000000), wk = 0.0025840 k( 103) = ( 0.2526882 0.4376687 -0.0000000), wk = 0.0025840 k( 104) = ( 0.2473118 0.4283567 -0.0000000), wk = 0.0025840 k( 105) = ( 0.2419355 0.4190445 -0.0000000), wk = 0.0025840 k( 106) = ( 0.2365591 0.4097324 -0.0000000), wk = 0.0025840 k( 107) = ( 0.2311828 0.4004204 -0.0000000), wk = 0.0025840 k( 108) = ( 0.2258064 0.3911082 -0.0000000), wk = 0.0025840 k( 109) = ( 0.2204301 0.3817962 -0.0000000), wk = 0.0025840 k( 110) = ( 0.2150538 0.3724840 -0.0000000), wk = 0.0025840 k( 111) = ( 0.2096774 0.3631719 -0.0000000), wk = 0.0025840 k( 112) = ( 0.2043011 0.3538599 -0.0000000), wk = 0.0025840 k( 113) = ( 0.1989247 0.3445477 -0.0000000), wk = 0.0025840 k( 114) = ( 0.1935484 0.3352356 -0.0000000), wk = 0.0025840 k( 115) = ( 0.1881720 0.3259235 -0.0000000), wk = 0.0025840 k( 116) = ( 0.1827957 0.3166114 -0.0000000), wk = 0.0025840 k( 117) = ( 0.1774194 0.3072993 -0.0000000), wk = 0.0025840 k( 118) = ( 0.1720430 0.2979872 -0.0000000), wk = 0.0025840 k( 119) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0025840 k( 120) = ( 0.1612903 0.2793630 -0.0000000), wk = 0.0025840 k( 121) = ( 0.1559140 0.2700509 -0.0000000), wk = 0.0025840 k( 122) = ( 0.1505376 0.2607388 -0.0000000), wk = 0.0025840 k( 123) = ( 0.1451613 0.2514267 -0.0000000), wk = 0.0025840 k( 124) = ( 0.1397849 0.2421146 -0.0000000), wk = 0.0025840 k( 125) = ( 0.1344086 0.2328025 -0.0000000), wk = 0.0025840 k( 126) = ( 0.1290323 0.2234904 -0.0000000), wk = 0.0025840 k( 127) = ( 0.1236559 0.2141783 -0.0000000), wk = 0.0025840 k( 128) = ( 0.1182796 0.2048662 -0.0000000), wk = 0.0025840 k( 129) = ( 0.1129032 0.1955541 -0.0000000), wk = 0.0025840 k( 130) = ( 0.1075269 0.1862420 -0.0000000), wk = 0.0025840 k( 131) = ( 0.1021505 0.1769299 -0.0000000), wk = 0.0025840 k( 132) = ( 0.0967742 0.1676178 -0.0000000), wk = 0.0025840 k( 133) = ( 0.0913979 0.1583057 -0.0000000), wk = 0.0025840 k( 134) = ( 0.0860215 0.1489936 -0.0000000), wk = 0.0025840 k( 135) = ( 0.0806452 0.1396815 -0.0000000), wk = 0.0025840 k( 136) = ( 0.0752688 0.1303694 -0.0000000), wk = 0.0025840 k( 137) = ( 0.0698925 0.1210573 -0.0000000), wk = 0.0025840 k( 138) = ( 0.0645161 0.1117452 -0.0000000), wk = 0.0025840 k( 139) = ( 0.0591398 0.1024331 -0.0000000), wk = 0.0025840 k( 140) = ( 0.0537634 0.0931210 -0.0000000), wk = 0.0025840 k( 141) = ( 0.0483871 0.0838089 -0.0000000), wk = 0.0025840 k( 142) = ( 0.0430108 0.0744968 -0.0000000), wk = 0.0025840 k( 143) = ( 0.0376344 0.0651847 -0.0000000), wk = 0.0025840 k( 144) = ( 0.0322581 0.0558726 -0.0000000), wk = 0.0025840 k( 145) = ( 0.0268817 0.0465605 -0.0000000), wk = 0.0025840 k( 146) = ( 0.0215054 0.0372484 -0.0000000), wk = 0.0025840 k( 147) = ( 0.0161290 0.0279363 -0.0000000), wk = 0.0025840 k( 148) = ( 0.0107527 0.0186242 -0.0000000), wk = 0.0025840 k( 149) = ( 0.0053763 0.0093121 -0.0000000), wk = 0.0025840 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025840 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025840 k( 152) = ( 0.0000000 0.0000000 0.0106591), wk = 0.0025840 k( 153) = ( 0.0000000 0.0000000 0.0213181), wk = 0.0025840 k( 154) = ( 0.0000000 0.0000000 0.0319772), wk = 0.0025840 k( 155) = ( 0.0000000 0.0000000 0.0426362), wk = 0.0025840 k( 156) = ( 0.0000000 0.0000000 0.0532953), wk = 0.0025840 k( 157) = ( 0.0000000 0.0000000 0.0639544), wk = 0.0025840 k( 158) = ( 0.0000000 0.0000000 0.0746134), wk = 0.0025840 k( 159) = ( 0.0000000 0.0000000 0.0852725), wk = 0.0025840 k( 160) = ( 0.0000000 0.0000000 0.0959315), wk = 0.0025840 k( 161) = ( 0.0000000 0.0000000 0.1065906), wk = 0.0025840 k( 162) = ( 0.0000000 0.0000000 0.1172497), wk = 0.0025840 k( 163) = ( 0.0000000 0.0000000 0.1279087), wk = 0.0025840 k( 164) = ( 0.0000000 0.0000000 0.1385678), wk = 0.0025840 k( 165) = ( 0.0000000 0.0000000 0.1492268), wk = 0.0025840 k( 166) = ( 0.0000000 0.0000000 0.1598859), wk = 0.0025840 k( 167) = ( 0.0000000 0.0000000 0.1705450), wk = 0.0025840 k( 168) = ( 0.0000000 0.0000000 0.1812040), wk = 0.0025840 k( 169) = ( 0.0000000 0.0000000 0.1918631), wk = 0.0025840 k( 170) = ( 0.0000000 0.0000000 0.2025222), wk = 0.0025840 k( 171) = ( 0.0000000 0.0000000 0.2131812), wk = 0.0025840 k( 172) = ( 0.0000000 0.0000000 0.2238403), wk = 0.0025840 k( 173) = ( 0.0000000 0.0000000 0.2344993), wk = 0.0025840 k( 174) = ( 0.0000000 0.0000000 0.2451584), wk = 0.0025840 k( 175) = ( 0.0000000 0.0000000 0.2558175), wk = 0.0025840 k( 176) = ( 0.0000000 0.0000000 0.2664765), wk = 0.0025840 k( 177) = ( 0.0000000 0.0000000 0.2771356), wk = 0.0025840 k( 178) = ( 0.0000000 0.0000000 0.2877946), wk = 0.0025840 k( 179) = ( 0.0000000 0.0000000 0.2984537), wk = 0.0025840 k( 180) = ( 0.0000000 0.0000000 0.2984537), wk = 0.0025840 k( 181) = ( 0.0092593 0.0053458 0.2984537), wk = 0.0025840 k( 182) = ( 0.0185185 0.0106917 0.2984537), wk = 0.0025840 k( 183) = ( 0.0277778 0.0160375 0.2984537), wk = 0.0025840 k( 184) = ( 0.0370370 0.0213833 0.2984537), wk = 0.0025840 k( 185) = ( 0.0462963 0.0267292 0.2984537), wk = 0.0025840 k( 186) = ( 0.0555556 0.0320750 0.2984537), wk = 0.0025840 k( 187) = ( 0.0648148 0.0374208 0.2984537), wk = 0.0025840 k( 188) = ( 0.0740741 0.0427667 0.2984537), wk = 0.0025840 k( 189) = ( 0.0833333 0.0481125 0.2984537), wk = 0.0025840 k( 190) = ( 0.0925926 0.0534584 0.2984537), wk = 0.0025840 k( 191) = ( 0.1018518 0.0588042 0.2984537), wk = 0.0025840 k( 192) = ( 0.1111111 0.0641500 0.2984537), wk = 0.0025840 k( 193) = ( 0.1203704 0.0694959 0.2984537), wk = 0.0025840 k( 194) = ( 0.1296296 0.0748417 0.2984537), wk = 0.0025840 k( 195) = ( 0.1388889 0.0801875 0.2984537), wk = 0.0025840 k( 196) = ( 0.1481482 0.0855334 0.2984537), wk = 0.0025840 k( 197) = ( 0.1574074 0.0908792 0.2984537), wk = 0.0025840 k( 198) = ( 0.1666667 0.0962250 0.2984537), wk = 0.0025840 k( 199) = ( 0.1759259 0.1015709 0.2984537), wk = 0.0025840 k( 200) = ( 0.1851852 0.1069167 0.2984537), wk = 0.0025840 k( 201) = ( 0.1944444 0.1122625 0.2984537), wk = 0.0025840 k( 202) = ( 0.2037037 0.1176084 0.2984537), wk = 0.0025840 k( 203) = ( 0.2129630 0.1229542 0.2984537), wk = 0.0025840 k( 204) = ( 0.2222222 0.1283001 0.2984537), wk = 0.0025840 k( 205) = ( 0.2314815 0.1336459 0.2984537), wk = 0.0025840 k( 206) = ( 0.2407407 0.1389917 0.2984537), wk = 0.0025840 k( 207) = ( 0.2500000 0.1443376 0.2984537), wk = 0.0025840 k( 208) = ( 0.2592593 0.1496834 0.2984537), wk = 0.0025840 k( 209) = ( 0.2685185 0.1550292 0.2984537), wk = 0.0025840 k( 210) = ( 0.2777778 0.1603751 0.2984537), wk = 0.0025840 k( 211) = ( 0.2870370 0.1657209 0.2984537), wk = 0.0025840 k( 212) = ( 0.2962963 0.1710667 0.2984537), wk = 0.0025840 k( 213) = ( 0.3055556 0.1764126 0.2984537), wk = 0.0025840 k( 214) = ( 0.3148148 0.1817584 0.2984537), wk = 0.0025840 k( 215) = ( 0.3240741 0.1871043 0.2984537), wk = 0.0025840 k( 216) = ( 0.3333333 0.1924501 0.2984537), wk = 0.0025840 k( 217) = ( 0.3425926 0.1977959 0.2984537), wk = 0.0025840 k( 218) = ( 0.3518519 0.2031418 0.2984537), wk = 0.0025840 k( 219) = ( 0.3611111 0.2084876 0.2984537), wk = 0.0025840 k( 220) = ( 0.3703704 0.2138334 0.2984537), wk = 0.0025840 k( 221) = ( 0.3796296 0.2191793 0.2984537), wk = 0.0025840 k( 222) = ( 0.3888889 0.2245251 0.2984537), wk = 0.0025840 k( 223) = ( 0.3981481 0.2298709 0.2984537), wk = 0.0025840 k( 224) = ( 0.4074074 0.2352168 0.2984537), wk = 0.0025840 k( 225) = ( 0.4166667 0.2405626 0.2984537), wk = 0.0025840 k( 226) = ( 0.4259259 0.2459085 0.2984537), wk = 0.0025840 k( 227) = ( 0.4351852 0.2512543 0.2984537), wk = 0.0025840 k( 228) = ( 0.4444444 0.2566001 0.2984537), wk = 0.0025840 k( 229) = ( 0.4537037 0.2619460 0.2984537), wk = 0.0025840 k( 230) = ( 0.4629630 0.2672918 0.2984537), wk = 0.0025840 k( 231) = ( 0.4722222 0.2726376 0.2984537), wk = 0.0025840 k( 232) = ( 0.4814815 0.2779835 0.2984537), wk = 0.0025840 k( 233) = ( 0.4907407 0.2833293 0.2984537), wk = 0.0025840 k( 234) = ( 0.5000000 0.2886751 0.2984537), wk = 0.0025840 k( 235) = ( 0.5000000 0.2886751 0.2984537), wk = 0.0025840 k( 236) = ( 0.4946237 0.2979872 0.2984537), wk = 0.0025840 k( 237) = ( 0.4892473 0.3072993 0.2984537), wk = 0.0025840 k( 238) = ( 0.4838710 0.3166114 0.2984537), wk = 0.0025840 k( 239) = ( 0.4784946 0.3259235 0.2984537), wk = 0.0025840 k( 240) = ( 0.4731183 0.3352356 0.2984537), wk = 0.0025840 k( 241) = ( 0.4677419 0.3445477 0.2984537), wk = 0.0025840 k( 242) = ( 0.4623656 0.3538598 0.2984537), wk = 0.0025840 k( 243) = ( 0.4569893 0.3631720 0.2984537), wk = 0.0025840 k( 244) = ( 0.4516129 0.3724840 0.2984537), wk = 0.0025840 k( 245) = ( 0.4462366 0.3817961 0.2984537), wk = 0.0025840 k( 246) = ( 0.4408602 0.3911082 0.2984537), wk = 0.0025840 k( 247) = ( 0.4354839 0.4004203 0.2984537), wk = 0.0025840 k( 248) = ( 0.4301075 0.4097325 0.2984537), wk = 0.0025840 k( 249) = ( 0.4247312 0.4190445 0.2984537), wk = 0.0025840 k( 250) = ( 0.4193548 0.4283566 0.2984537), wk = 0.0025840 k( 251) = ( 0.4139785 0.4376687 0.2984537), wk = 0.0025840 k( 252) = ( 0.4086021 0.4469809 0.2984537), wk = 0.0025840 k( 253) = ( 0.4032258 0.4562930 0.2984537), wk = 0.0025840 k( 254) = ( 0.3978495 0.4656051 0.2984537), wk = 0.0025840 k( 255) = ( 0.3924731 0.4749172 0.2984537), wk = 0.0025840 k( 256) = ( 0.3870968 0.4842293 0.2984537), wk = 0.0025840 k( 257) = ( 0.3817204 0.4935414 0.2984537), wk = 0.0025840 k( 258) = ( 0.3763441 0.5028535 0.2984537), wk = 0.0025840 k( 259) = ( 0.3709677 0.5121656 0.2984537), wk = 0.0025840 k( 260) = ( 0.3655914 0.5214777 0.2984537), wk = 0.0025840 k( 261) = ( 0.3602150 0.5307898 0.2984537), wk = 0.0025840 k( 262) = ( 0.3548387 0.5401019 0.2984537), wk = 0.0025840 k( 263) = ( 0.3494624 0.5494140 0.2984537), wk = 0.0025840 k( 264) = ( 0.3440860 0.5587261 0.2984537), wk = 0.0025840 k( 265) = ( 0.3387097 0.5680382 0.2984537), wk = 0.0025840 k( 266) = ( 0.3333333 0.5773503 0.2984537), wk = 0.0025840 k( 267) = ( 0.3333333 0.5773503 0.2984537), wk = 0.0025840 k( 268) = ( 0.3279570 0.5680382 0.2984537), wk = 0.0025840 k( 269) = ( 0.3225807 0.5587261 0.2984537), wk = 0.0025840 k( 270) = ( 0.3172043 0.5494140 0.2984537), wk = 0.0025840 k( 271) = ( 0.3118280 0.5401019 0.2984537), wk = 0.0025840 k( 272) = ( 0.3064516 0.5307898 0.2984537), wk = 0.0025840 k( 273) = ( 0.3010753 0.5214777 0.2984537), wk = 0.0025840 k( 274) = ( 0.2956989 0.5121656 0.2984537), wk = 0.0025840 k( 275) = ( 0.2903226 0.5028535 0.2984537), wk = 0.0025840 k( 276) = ( 0.2849462 0.4935414 0.2984537), wk = 0.0025840 k( 277) = ( 0.2795699 0.4842293 0.2984537), wk = 0.0025840 k( 278) = ( 0.2741936 0.4749172 0.2984537), wk = 0.0025840 k( 279) = ( 0.2688172 0.4656050 0.2984537), wk = 0.0025840 k( 280) = ( 0.2634409 0.4562930 0.2984537), wk = 0.0025840 k( 281) = ( 0.2580645 0.4469809 0.2984537), wk = 0.0025840 k( 282) = ( 0.2526882 0.4376687 0.2984537), wk = 0.0025840 k( 283) = ( 0.2473118 0.4283567 0.2984537), wk = 0.0025840 k( 284) = ( 0.2419355 0.4190445 0.2984537), wk = 0.0025840 k( 285) = ( 0.2365591 0.4097324 0.2984537), wk = 0.0025840 k( 286) = ( 0.2311828 0.4004204 0.2984537), wk = 0.0025840 k( 287) = ( 0.2258064 0.3911082 0.2984537), wk = 0.0025840 k( 288) = ( 0.2204301 0.3817962 0.2984537), wk = 0.0025840 k( 289) = ( 0.2150538 0.3724840 0.2984537), wk = 0.0025840 k( 290) = ( 0.2096774 0.3631719 0.2984537), wk = 0.0025840 k( 291) = ( 0.2043011 0.3538599 0.2984537), wk = 0.0025840 k( 292) = ( 0.1989247 0.3445477 0.2984537), wk = 0.0025840 k( 293) = ( 0.1935484 0.3352356 0.2984537), wk = 0.0025840 k( 294) = ( 0.1881720 0.3259235 0.2984537), wk = 0.0025840 k( 295) = ( 0.1827957 0.3166114 0.2984537), wk = 0.0025840 k( 296) = ( 0.1774194 0.3072993 0.2984537), wk = 0.0025840 k( 297) = ( 0.1720430 0.2979872 0.2984537), wk = 0.0025840 k( 298) = ( 0.1666667 0.2886751 0.2984537), wk = 0.0025840 k( 299) = ( 0.1612903 0.2793630 0.2984537), wk = 0.0025840 k( 300) = ( 0.1559140 0.2700509 0.2984537), wk = 0.0025840 k( 301) = ( 0.1505376 0.2607388 0.2984537), wk = 0.0025840 k( 302) = ( 0.1451613 0.2514267 0.2984537), wk = 0.0025840 k( 303) = ( 0.1397849 0.2421146 0.2984537), wk = 0.0025840 k( 304) = ( 0.1344086 0.2328025 0.2984537), wk = 0.0025840 k( 305) = ( 0.1290323 0.2234904 0.2984537), wk = 0.0025840 k( 306) = ( 0.1236559 0.2141783 0.2984537), wk = 0.0025840 k( 307) = ( 0.1182796 0.2048662 0.2984537), wk = 0.0025840 k( 308) = ( 0.1129032 0.1955541 0.2984537), wk = 0.0025840 k( 309) = ( 0.1075269 0.1862420 0.2984537), wk = 0.0025840 k( 310) = ( 0.1021505 0.1769299 0.2984537), wk = 0.0025840 k( 311) = ( 0.0967742 0.1676178 0.2984537), wk = 0.0025840 k( 312) = ( 0.0913979 0.1583057 0.2984537), wk = 0.0025840 k( 313) = ( 0.0860215 0.1489936 0.2984537), wk = 0.0025840 k( 314) = ( 0.0806452 0.1396815 0.2984537), wk = 0.0025840 k( 315) = ( 0.0752688 0.1303694 0.2984537), wk = 0.0025840 k( 316) = ( 0.0698925 0.1210573 0.2984537), wk = 0.0025840 k( 317) = ( 0.0645161 0.1117452 0.2984537), wk = 0.0025840 k( 318) = ( 0.0591398 0.1024331 0.2984537), wk = 0.0025840 k( 319) = ( 0.0537634 0.0931210 0.2984537), wk = 0.0025840 k( 320) = ( 0.0483871 0.0838089 0.2984537), wk = 0.0025840 k( 321) = ( 0.0430108 0.0744968 0.2984537), wk = 0.0025840 k( 322) = ( 0.0376344 0.0651847 0.2984537), wk = 0.0025840 k( 323) = ( 0.0322581 0.0558726 0.2984537), wk = 0.0025840 k( 324) = ( 0.0268817 0.0465605 0.2984537), wk = 0.0025840 k( 325) = ( 0.0215054 0.0372484 0.2984537), wk = 0.0025840 k( 326) = ( 0.0161290 0.0279363 0.2984537), wk = 0.0025840 k( 327) = ( 0.0107527 0.0186242 0.2984537), wk = 0.0025840 k( 328) = ( 0.0053763 0.0093121 0.2984537), wk = 0.0025840 k( 329) = ( 0.0000000 0.0000000 0.2984537), wk = 0.0025840 k( 330) = ( 0.5000000 0.2886751 0.2984537), wk = 0.0025840 k( 331) = ( 0.5000000 0.2886751 0.2877946), wk = 0.0025840 k( 332) = ( 0.5000000 0.2886751 0.2771356), wk = 0.0025840 k( 333) = ( 0.5000000 0.2886751 0.2664765), wk = 0.0025840 k( 334) = ( 0.5000000 0.2886751 0.2558175), wk = 0.0025840 k( 335) = ( 0.5000000 0.2886751 0.2451584), wk = 0.0025840 k( 336) = ( 0.5000000 0.2886751 0.2344993), wk = 0.0025840 k( 337) = ( 0.5000000 0.2886751 0.2238403), wk = 0.0025840 k( 338) = ( 0.5000000 0.2886751 0.2131812), wk = 0.0025840 k( 339) = ( 0.5000000 0.2886751 0.2025222), wk = 0.0025840 k( 340) = ( 0.5000000 0.2886751 0.1918631), wk = 0.0025840 k( 341) = ( 0.5000000 0.2886751 0.1812040), wk = 0.0025840 k( 342) = ( 0.5000000 0.2886751 0.1705450), wk = 0.0025840 k( 343) = ( 0.5000000 0.2886751 0.1598859), wk = 0.0025840 k( 344) = ( 0.5000000 0.2886751 0.1492268), wk = 0.0025840 k( 345) = ( 0.5000000 0.2886751 0.1385678), wk = 0.0025840 k( 346) = ( 0.5000000 0.2886751 0.1279087), wk = 0.0025840 k( 347) = ( 0.5000000 0.2886751 0.1172497), wk = 0.0025840 k( 348) = ( 0.5000000 0.2886751 0.1065906), wk = 0.0025840 k( 349) = ( 0.5000000 0.2886751 0.0959315), wk = 0.0025840 k( 350) = ( 0.5000000 0.2886751 0.0852725), wk = 0.0025840 k( 351) = ( 0.5000000 0.2886751 0.0746134), wk = 0.0025840 k( 352) = ( 0.5000000 0.2886751 0.0639544), wk = 0.0025840 k( 353) = ( 0.5000000 0.2886751 0.0532953), wk = 0.0025840 k( 354) = ( 0.5000000 0.2886751 0.0426362), wk = 0.0025840 k( 355) = ( 0.5000000 0.2886751 0.0319772), wk = 0.0025840 k( 356) = ( 0.5000000 0.2886751 0.0213181), wk = 0.0025840 k( 357) = ( 0.5000000 0.2886751 0.0106591), wk = 0.0025840 k( 358) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0025840 k( 359) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0025840 k( 360) = ( 0.3333333 0.5773503 0.0106591), wk = 0.0025840 k( 361) = ( 0.3333333 0.5773503 0.0213181), wk = 0.0025840 k( 362) = ( 0.3333333 0.5773503 0.0319772), wk = 0.0025840 k( 363) = ( 0.3333333 0.5773503 0.0426362), wk = 0.0025840 k( 364) = ( 0.3333333 0.5773503 0.0532953), wk = 0.0025840 k( 365) = ( 0.3333333 0.5773503 0.0639544), wk = 0.0025840 k( 366) = ( 0.3333333 0.5773503 0.0746134), wk = 0.0025840 k( 367) = ( 0.3333333 0.5773503 0.0852725), wk = 0.0025840 k( 368) = ( 0.3333333 0.5773503 0.0959315), wk = 0.0025840 k( 369) = ( 0.3333333 0.5773503 0.1065906), wk = 0.0025840 k( 370) = ( 0.3333333 0.5773503 0.1172497), wk = 0.0025840 k( 371) = ( 0.3333333 0.5773503 0.1279087), wk = 0.0025840 k( 372) = ( 0.3333333 0.5773503 0.1385678), wk = 0.0025840 k( 373) = ( 0.3333333 0.5773503 0.1492268), wk = 0.0025840 k( 374) = ( 0.3333333 0.5773503 0.1598859), wk = 0.0025840 k( 375) = ( 0.3333333 0.5773503 0.1705450), wk = 0.0025840 k( 376) = ( 0.3333333 0.5773503 0.1812040), wk = 0.0025840 k( 377) = ( 0.3333333 0.5773503 0.1918631), wk = 0.0025840 k( 378) = ( 0.3333333 0.5773503 0.2025222), wk = 0.0025840 k( 379) = ( 0.3333333 0.5773503 0.2131812), wk = 0.0025840 k( 380) = ( 0.3333333 0.5773503 0.2238403), wk = 0.0025840 k( 381) = ( 0.3333333 0.5773503 0.2344993), wk = 0.0025840 k( 382) = ( 0.3333333 0.5773503 0.2451584), wk = 0.0025840 k( 383) = ( 0.3333333 0.5773503 0.2558175), wk = 0.0025840 k( 384) = ( 0.3333333 0.5773503 0.2664765), wk = 0.0025840 k( 385) = ( 0.3333333 0.5773503 0.2771356), wk = 0.0025840 k( 386) = ( 0.3333333 0.5773503 0.2877946), wk = 0.0025840 k( 387) = ( 0.3333333 0.5773503 0.2984537), wk = 0.0025840 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025840 k( 2) = ( 0.0092593 0.0000000 0.0000000), wk = 0.0025840 k( 3) = ( 0.0185185 0.0000000 0.0000000), wk = 0.0025840 k( 4) = ( 0.0277778 -0.0000000 -0.0000000), wk = 0.0025840 k( 5) = ( 0.0370370 0.0000000 0.0000000), wk = 0.0025840 k( 6) = ( 0.0462963 -0.0000000 0.0000000), wk = 0.0025840 k( 7) = ( 0.0555556 -0.0000000 -0.0000000), wk = 0.0025840 k( 8) = ( 0.0648148 0.0000000 -0.0000000), wk = 0.0025840 k( 9) = ( 0.0740741 0.0000000 0.0000000), wk = 0.0025840 k( 10) = ( 0.0833333 -0.0000000 0.0000000), wk = 0.0025840 k( 11) = ( 0.0925926 -0.0000000 0.0000000), wk = 0.0025840 k( 12) = ( 0.1018518 0.0000000 -0.0000000), wk = 0.0025840 k( 13) = ( 0.1111111 -0.0000000 0.0000000), wk = 0.0025840 k( 14) = ( 0.1203704 0.0000000 0.0000000), wk = 0.0025840 k( 15) = ( 0.1296296 0.0000000 -0.0000000), wk = 0.0025840 k( 16) = ( 0.1388889 0.0000000 -0.0000000), wk = 0.0025840 k( 17) = ( 0.1481482 0.0000000 0.0000000), wk = 0.0025840 k( 18) = ( 0.1574074 0.0000000 0.0000000), wk = 0.0025840 k( 19) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0025840 k( 20) = ( 0.1759259 -0.0000000 0.0000000), wk = 0.0025840 k( 21) = ( 0.1851852 -0.0000000 -0.0000000), wk = 0.0025840 k( 22) = ( 0.1944444 0.0000000 0.0000000), wk = 0.0025840 k( 23) = ( 0.2037037 0.0000000 -0.0000000), wk = 0.0025840 k( 24) = ( 0.2129630 0.0000000 0.0000000), wk = 0.0025840 k( 25) = ( 0.2222222 -0.0000000 0.0000000), wk = 0.0025840 k( 26) = ( 0.2314815 0.0000000 0.0000000), wk = 0.0025840 k( 27) = ( 0.2407407 0.0000000 0.0000000), wk = 0.0025840 k( 28) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0025840 k( 29) = ( 0.2592593 0.0000000 -0.0000000), wk = 0.0025840 k( 30) = ( 0.2685185 0.0000000 0.0000000), wk = 0.0025840 k( 31) = ( 0.2777778 0.0000000 -0.0000000), wk = 0.0025840 k( 32) = ( 0.2870370 0.0000000 0.0000000), wk = 0.0025840 k( 33) = ( 0.2962963 0.0000000 0.0000000), wk = 0.0025840 k( 34) = ( 0.3055556 -0.0000000 -0.0000000), wk = 0.0025840 k( 35) = ( 0.3148148 -0.0000000 0.0000000), wk = 0.0025840 k( 36) = ( 0.3240741 -0.0000000 -0.0000000), wk = 0.0025840 k( 37) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0025840 k( 38) = ( 0.3425926 -0.0000000 0.0000000), wk = 0.0025840 k( 39) = ( 0.3518519 0.0000000 0.0000000), wk = 0.0025840 k( 40) = ( 0.3611111 -0.0000000 -0.0000000), wk = 0.0025840 k( 41) = ( 0.3703704 -0.0000000 0.0000000), wk = 0.0025840 k( 42) = ( 0.3796296 0.0000000 0.0000000), wk = 0.0025840 k( 43) = ( 0.3888889 0.0000000 0.0000000), wk = 0.0025840 k( 44) = ( 0.3981481 0.0000000 -0.0000000), wk = 0.0025840 k( 45) = ( 0.4074074 0.0000000 -0.0000000), wk = 0.0025840 k( 46) = ( 0.4166667 0.0000000 -0.0000000), wk = 0.0025840 k( 47) = ( 0.4259259 0.0000000 -0.0000000), wk = 0.0025840 k( 48) = ( 0.4351852 -0.0000000 -0.0000000), wk = 0.0025840 k( 49) = ( 0.4444444 -0.0000000 0.0000000), wk = 0.0025840 k( 50) = ( 0.4537037 0.0000000 0.0000000), wk = 0.0025840 k( 51) = ( 0.4629630 0.0000000 0.0000000), wk = 0.0025840 k( 52) = ( 0.4722222 -0.0000000 -0.0000000), wk = 0.0025840 k( 53) = ( 0.4814815 0.0000000 0.0000000), wk = 0.0025840 k( 54) = ( 0.4907407 -0.0000000 0.0000000), wk = 0.0025840 k( 55) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025840 k( 56) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025840 k( 57) = ( 0.4946237 0.0107527 0.0000000), wk = 0.0025840 k( 58) = ( 0.4892473 0.0215054 0.0000000), wk = 0.0025840 k( 59) = ( 0.4838710 0.0322581 -0.0000000), wk = 0.0025840 k( 60) = ( 0.4784946 0.0430108 0.0000000), wk = 0.0025840 k( 61) = ( 0.4731183 0.0537634 -0.0000000), wk = 0.0025840 k( 62) = ( 0.4677419 0.0645161 0.0000000), wk = 0.0025840 k( 63) = ( 0.4623656 0.0752688 0.0000000), wk = 0.0025840 k( 64) = ( 0.4569893 0.0860215 0.0000000), wk = 0.0025840 k( 65) = ( 0.4516129 0.0967742 0.0000000), wk = 0.0025840 k( 66) = ( 0.4462366 0.1075269 0.0000000), wk = 0.0025840 k( 67) = ( 0.4408602 0.1182796 0.0000000), wk = 0.0025840 k( 68) = ( 0.4354839 0.1290323 0.0000000), wk = 0.0025840 k( 69) = ( 0.4301075 0.1397849 -0.0000000), wk = 0.0025840 k( 70) = ( 0.4247312 0.1505376 0.0000000), wk = 0.0025840 k( 71) = ( 0.4193548 0.1612903 -0.0000000), wk = 0.0025840 k( 72) = ( 0.4139785 0.1720430 -0.0000000), wk = 0.0025840 k( 73) = ( 0.4086021 0.1827957 0.0000000), wk = 0.0025840 k( 74) = ( 0.4032258 0.1935484 0.0000000), wk = 0.0025840 k( 75) = ( 0.3978495 0.2043011 0.0000000), wk = 0.0025840 k( 76) = ( 0.3924731 0.2150538 -0.0000000), wk = 0.0025840 k( 77) = ( 0.3870968 0.2258065 0.0000000), wk = 0.0025840 k( 78) = ( 0.3817204 0.2365591 0.0000000), wk = 0.0025840 k( 79) = ( 0.3763441 0.2473118 -0.0000000), wk = 0.0025840 k( 80) = ( 0.3709677 0.2580645 0.0000000), wk = 0.0025840 k( 81) = ( 0.3655914 0.2688172 -0.0000000), wk = 0.0025840 k( 82) = ( 0.3602150 0.2795699 -0.0000000), wk = 0.0025840 k( 83) = ( 0.3548387 0.2903226 0.0000000), wk = 0.0025840 k( 84) = ( 0.3494624 0.3010753 -0.0000000), wk = 0.0025840 k( 85) = ( 0.3440860 0.3118280 -0.0000000), wk = 0.0025840 k( 86) = ( 0.3387097 0.3225807 0.0000000), wk = 0.0025840 k( 87) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0025840 k( 88) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0025840 k( 89) = ( 0.3279570 0.3279570 0.0000000), wk = 0.0025840 k( 90) = ( 0.3225807 0.3225807 0.0000000), wk = 0.0025840 k( 91) = ( 0.3172043 0.3172043 -0.0000000), wk = 0.0025840 k( 92) = ( 0.3118280 0.3118280 0.0000000), wk = 0.0025840 k( 93) = ( 0.3064516 0.3064516 -0.0000000), wk = 0.0025840 k( 94) = ( 0.3010753 0.3010753 -0.0000000), wk = 0.0025840 k( 95) = ( 0.2956989 0.2956989 0.0000000), wk = 0.0025840 k( 96) = ( 0.2903226 0.2903226 0.0000000), wk = 0.0025840 k( 97) = ( 0.2849462 0.2849462 0.0000000), wk = 0.0025840 k( 98) = ( 0.2795699 0.2795699 0.0000000), wk = 0.0025840 k( 99) = ( 0.2741936 0.2741936 -0.0000000), wk = 0.0025840 k( 100) = ( 0.2688172 0.2688172 -0.0000000), wk = 0.0025840 k( 101) = ( 0.2634409 0.2634409 0.0000000), wk = 0.0025840 k( 102) = ( 0.2580645 0.2580645 0.0000000), wk = 0.0025840 k( 103) = ( 0.2526882 0.2526882 0.0000000), wk = 0.0025840 k( 104) = ( 0.2473118 0.2473118 -0.0000000), wk = 0.0025840 k( 105) = ( 0.2419355 0.2419355 -0.0000000), wk = 0.0025840 k( 106) = ( 0.2365591 0.2365591 -0.0000000), wk = 0.0025840 k( 107) = ( 0.2311828 0.2311828 -0.0000000), wk = 0.0025840 k( 108) = ( 0.2258064 0.2258064 -0.0000000), wk = 0.0025840 k( 109) = ( 0.2204301 0.2204301 -0.0000000), wk = 0.0025840 k( 110) = ( 0.2150538 0.2150538 -0.0000000), wk = 0.0025840 k( 111) = ( 0.2096774 0.2096774 0.0000000), wk = 0.0025840 k( 112) = ( 0.2043011 0.2043011 0.0000000), wk = 0.0025840 k( 113) = ( 0.1989247 0.1989247 -0.0000000), wk = 0.0025840 k( 114) = ( 0.1935484 0.1935484 0.0000000), wk = 0.0025840 k( 115) = ( 0.1881720 0.1881720 -0.0000000), wk = 0.0025840 k( 116) = ( 0.1827957 0.1827957 -0.0000000), wk = 0.0025840 k( 117) = ( 0.1774194 0.1774194 0.0000000), wk = 0.0025840 k( 118) = ( 0.1720430 0.1720430 0.0000000), wk = 0.0025840 k( 119) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0025840 k( 120) = ( 0.1612903 0.1612903 -0.0000000), wk = 0.0025840 k( 121) = ( 0.1559140 0.1559140 0.0000000), wk = 0.0025840 k( 122) = ( 0.1505376 0.1505376 -0.0000000), wk = 0.0025840 k( 123) = ( 0.1451613 0.1451613 0.0000000), wk = 0.0025840 k( 124) = ( 0.1397849 0.1397849 -0.0000000), wk = 0.0025840 k( 125) = ( 0.1344086 0.1344086 -0.0000000), wk = 0.0025840 k( 126) = ( 0.1290323 0.1290323 0.0000000), wk = 0.0025840 k( 127) = ( 0.1236559 0.1236559 0.0000000), wk = 0.0025840 k( 128) = ( 0.1182796 0.1182796 -0.0000000), wk = 0.0025840 k( 129) = ( 0.1129032 0.1129032 0.0000000), wk = 0.0025840 k( 130) = ( 0.1075269 0.1075269 -0.0000000), wk = 0.0025840 k( 131) = ( 0.1021505 0.1021505 0.0000000), wk = 0.0025840 k( 132) = ( 0.0967742 0.0967742 -0.0000000), wk = 0.0025840 k( 133) = ( 0.0913979 0.0913978 -0.0000000), wk = 0.0025840 k( 134) = ( 0.0860215 0.0860215 -0.0000000), wk = 0.0025840 k( 135) = ( 0.0806452 0.0806452 -0.0000000), wk = 0.0025840 k( 136) = ( 0.0752688 0.0752688 -0.0000000), wk = 0.0025840 k( 137) = ( 0.0698925 0.0698925 0.0000000), wk = 0.0025840 k( 138) = ( 0.0645161 0.0645161 0.0000000), wk = 0.0025840 k( 139) = ( 0.0591398 0.0591398 -0.0000000), wk = 0.0025840 k( 140) = ( 0.0537634 0.0537634 -0.0000000), wk = 0.0025840 k( 141) = ( 0.0483871 0.0483871 -0.0000000), wk = 0.0025840 k( 142) = ( 0.0430108 0.0430108 0.0000000), wk = 0.0025840 k( 143) = ( 0.0376344 0.0376344 -0.0000000), wk = 0.0025840 k( 144) = ( 0.0322581 0.0322581 -0.0000000), wk = 0.0025840 k( 145) = ( 0.0268817 0.0268817 -0.0000000), wk = 0.0025840 k( 146) = ( 0.0215054 0.0215054 0.0000000), wk = 0.0025840 k( 147) = ( 0.0161290 0.0161290 -0.0000000), wk = 0.0025840 k( 148) = ( 0.0107527 0.0107527 0.0000000), wk = 0.0025840 k( 149) = ( 0.0053763 0.0053763 -0.0000000), wk = 0.0025840 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025840 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025840 k( 152) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0025840 k( 153) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0025840 k( 154) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0025840 k( 155) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0025840 k( 156) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0025840 k( 157) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0025840 k( 158) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0025840 k( 159) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0025840 k( 160) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0025840 k( 161) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0025840 k( 162) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0025840 k( 163) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0025840 k( 164) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0025840 k( 165) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0025840 k( 166) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0025840 k( 167) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0025840 k( 168) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0025840 k( 169) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0025840 k( 170) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0025840 k( 171) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0025840 k( 172) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0025840 k( 173) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0025840 k( 174) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0025840 k( 175) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0025840 k( 176) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0025840 k( 177) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0025840 k( 178) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0025840 k( 179) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025840 k( 180) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025840 k( 181) = ( 0.0092593 0.0000000 0.5000000), wk = 0.0025840 k( 182) = ( 0.0185185 0.0000000 0.5000000), wk = 0.0025840 k( 183) = ( 0.0277778 -0.0000000 0.5000000), wk = 0.0025840 k( 184) = ( 0.0370370 0.0000000 0.5000000), wk = 0.0025840 k( 185) = ( 0.0462963 -0.0000000 0.5000000), wk = 0.0025840 k( 186) = ( 0.0555556 -0.0000000 0.5000000), wk = 0.0025840 k( 187) = ( 0.0648148 0.0000000 0.5000000), wk = 0.0025840 k( 188) = ( 0.0740741 0.0000000 0.5000000), wk = 0.0025840 k( 189) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0025840 k( 190) = ( 0.0925926 -0.0000000 0.5000000), wk = 0.0025840 k( 191) = ( 0.1018518 0.0000000 0.5000000), wk = 0.0025840 k( 192) = ( 0.1111111 -0.0000000 0.5000000), wk = 0.0025840 k( 193) = ( 0.1203704 0.0000000 0.5000000), wk = 0.0025840 k( 194) = ( 0.1296296 0.0000000 0.5000000), wk = 0.0025840 k( 195) = ( 0.1388889 0.0000000 0.5000000), wk = 0.0025840 k( 196) = ( 0.1481482 0.0000000 0.5000000), wk = 0.0025840 k( 197) = ( 0.1574074 0.0000000 0.5000000), wk = 0.0025840 k( 198) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0025840 k( 199) = ( 0.1759259 -0.0000000 0.5000000), wk = 0.0025840 k( 200) = ( 0.1851852 -0.0000000 0.5000000), wk = 0.0025840 k( 201) = ( 0.1944444 0.0000000 0.5000000), wk = 0.0025840 k( 202) = ( 0.2037037 0.0000000 0.5000000), wk = 0.0025840 k( 203) = ( 0.2129630 0.0000000 0.5000000), wk = 0.0025840 k( 204) = ( 0.2222222 -0.0000000 0.5000000), wk = 0.0025840 k( 205) = ( 0.2314815 0.0000000 0.5000000), wk = 0.0025840 k( 206) = ( 0.2407407 0.0000000 0.5000000), wk = 0.0025840 k( 207) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0025840 k( 208) = ( 0.2592593 0.0000000 0.5000000), wk = 0.0025840 k( 209) = ( 0.2685185 0.0000000 0.5000000), wk = 0.0025840 k( 210) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0025840 k( 211) = ( 0.2870370 0.0000000 0.5000000), wk = 0.0025840 k( 212) = ( 0.2962963 0.0000000 0.5000000), wk = 0.0025840 k( 213) = ( 0.3055556 -0.0000000 0.5000000), wk = 0.0025840 k( 214) = ( 0.3148148 -0.0000000 0.5000000), wk = 0.0025840 k( 215) = ( 0.3240741 -0.0000000 0.5000000), wk = 0.0025840 k( 216) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0025840 k( 217) = ( 0.3425926 -0.0000000 0.5000000), wk = 0.0025840 k( 218) = ( 0.3518519 0.0000000 0.5000000), wk = 0.0025840 k( 219) = ( 0.3611111 -0.0000000 0.5000000), wk = 0.0025840 k( 220) = ( 0.3703704 -0.0000000 0.5000000), wk = 0.0025840 k( 221) = ( 0.3796296 0.0000000 0.5000000), wk = 0.0025840 k( 222) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0025840 k( 223) = ( 0.3981481 0.0000000 0.5000000), wk = 0.0025840 k( 224) = ( 0.4074074 0.0000000 0.5000000), wk = 0.0025840 k( 225) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0025840 k( 226) = ( 0.4259259 0.0000000 0.5000000), wk = 0.0025840 k( 227) = ( 0.4351852 -0.0000000 0.5000000), wk = 0.0025840 k( 228) = ( 0.4444444 -0.0000000 0.5000000), wk = 0.0025840 k( 229) = ( 0.4537037 0.0000000 0.5000000), wk = 0.0025840 k( 230) = ( 0.4629630 0.0000000 0.5000000), wk = 0.0025840 k( 231) = ( 0.4722222 -0.0000000 0.5000000), wk = 0.0025840 k( 232) = ( 0.4814815 0.0000000 0.5000000), wk = 0.0025840 k( 233) = ( 0.4907407 -0.0000000 0.5000000), wk = 0.0025840 k( 234) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025840 k( 235) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025840 k( 236) = ( 0.4946237 0.0107527 0.5000000), wk = 0.0025840 k( 237) = ( 0.4892473 0.0215054 0.5000000), wk = 0.0025840 k( 238) = ( 0.4838710 0.0322581 0.5000000), wk = 0.0025840 k( 239) = ( 0.4784946 0.0430108 0.5000000), wk = 0.0025840 k( 240) = ( 0.4731183 0.0537634 0.5000000), wk = 0.0025840 k( 241) = ( 0.4677419 0.0645161 0.5000000), wk = 0.0025840 k( 242) = ( 0.4623656 0.0752688 0.5000000), wk = 0.0025840 k( 243) = ( 0.4569893 0.0860215 0.5000000), wk = 0.0025840 k( 244) = ( 0.4516129 0.0967742 0.5000000), wk = 0.0025840 k( 245) = ( 0.4462366 0.1075269 0.5000000), wk = 0.0025840 k( 246) = ( 0.4408602 0.1182796 0.5000000), wk = 0.0025840 k( 247) = ( 0.4354839 0.1290323 0.5000000), wk = 0.0025840 k( 248) = ( 0.4301075 0.1397849 0.5000000), wk = 0.0025840 k( 249) = ( 0.4247312 0.1505376 0.5000000), wk = 0.0025840 k( 250) = ( 0.4193548 0.1612903 0.5000000), wk = 0.0025840 k( 251) = ( 0.4139785 0.1720430 0.5000000), wk = 0.0025840 k( 252) = ( 0.4086021 0.1827957 0.5000000), wk = 0.0025840 k( 253) = ( 0.4032258 0.1935484 0.5000000), wk = 0.0025840 k( 254) = ( 0.3978495 0.2043011 0.5000000), wk = 0.0025840 k( 255) = ( 0.3924731 0.2150538 0.5000000), wk = 0.0025840 k( 256) = ( 0.3870968 0.2258065 0.5000000), wk = 0.0025840 k( 257) = ( 0.3817204 0.2365591 0.5000000), wk = 0.0025840 k( 258) = ( 0.3763441 0.2473118 0.5000000), wk = 0.0025840 k( 259) = ( 0.3709677 0.2580645 0.5000000), wk = 0.0025840 k( 260) = ( 0.3655914 0.2688172 0.5000000), wk = 0.0025840 k( 261) = ( 0.3602150 0.2795699 0.5000000), wk = 0.0025840 k( 262) = ( 0.3548387 0.2903226 0.5000000), wk = 0.0025840 k( 263) = ( 0.3494624 0.3010753 0.5000000), wk = 0.0025840 k( 264) = ( 0.3440860 0.3118280 0.5000000), wk = 0.0025840 k( 265) = ( 0.3387097 0.3225807 0.5000000), wk = 0.0025840 k( 266) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025840 k( 267) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025840 k( 268) = ( 0.3279570 0.3279570 0.5000000), wk = 0.0025840 k( 269) = ( 0.3225807 0.3225807 0.5000000), wk = 0.0025840 k( 270) = ( 0.3172043 0.3172043 0.5000000), wk = 0.0025840 k( 271) = ( 0.3118280 0.3118280 0.5000000), wk = 0.0025840 k( 272) = ( 0.3064516 0.3064516 0.5000000), wk = 0.0025840 k( 273) = ( 0.3010753 0.3010753 0.5000000), wk = 0.0025840 k( 274) = ( 0.2956989 0.2956989 0.5000000), wk = 0.0025840 k( 275) = ( 0.2903226 0.2903226 0.5000000), wk = 0.0025840 k( 276) = ( 0.2849462 0.2849462 0.5000000), wk = 0.0025840 k( 277) = ( 0.2795699 0.2795699 0.5000000), wk = 0.0025840 k( 278) = ( 0.2741936 0.2741936 0.5000000), wk = 0.0025840 k( 279) = ( 0.2688172 0.2688172 0.5000000), wk = 0.0025840 k( 280) = ( 0.2634409 0.2634409 0.5000000), wk = 0.0025840 k( 281) = ( 0.2580645 0.2580645 0.5000000), wk = 0.0025840 k( 282) = ( 0.2526882 0.2526882 0.5000000), wk = 0.0025840 k( 283) = ( 0.2473118 0.2473118 0.5000000), wk = 0.0025840 k( 284) = ( 0.2419355 0.2419355 0.5000000), wk = 0.0025840 k( 285) = ( 0.2365591 0.2365591 0.5000000), wk = 0.0025840 k( 286) = ( 0.2311828 0.2311828 0.5000000), wk = 0.0025840 k( 287) = ( 0.2258064 0.2258064 0.5000000), wk = 0.0025840 k( 288) = ( 0.2204301 0.2204301 0.5000000), wk = 0.0025840 k( 289) = ( 0.2150538 0.2150538 0.5000000), wk = 0.0025840 k( 290) = ( 0.2096774 0.2096774 0.5000000), wk = 0.0025840 k( 291) = ( 0.2043011 0.2043011 0.5000000), wk = 0.0025840 k( 292) = ( 0.1989247 0.1989247 0.5000000), wk = 0.0025840 k( 293) = ( 0.1935484 0.1935484 0.5000000), wk = 0.0025840 k( 294) = ( 0.1881720 0.1881720 0.5000000), wk = 0.0025840 k( 295) = ( 0.1827957 0.1827957 0.5000000), wk = 0.0025840 k( 296) = ( 0.1774194 0.1774194 0.5000000), wk = 0.0025840 k( 297) = ( 0.1720430 0.1720430 0.5000000), wk = 0.0025840 k( 298) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0025840 k( 299) = ( 0.1612903 0.1612903 0.5000000), wk = 0.0025840 k( 300) = ( 0.1559140 0.1559140 0.5000000), wk = 0.0025840 k( 301) = ( 0.1505376 0.1505376 0.5000000), wk = 0.0025840 k( 302) = ( 0.1451613 0.1451613 0.5000000), wk = 0.0025840 k( 303) = ( 0.1397849 0.1397849 0.5000000), wk = 0.0025840 k( 304) = ( 0.1344086 0.1344086 0.5000000), wk = 0.0025840 k( 305) = ( 0.1290323 0.1290323 0.5000000), wk = 0.0025840 k( 306) = ( 0.1236559 0.1236559 0.5000000), wk = 0.0025840 k( 307) = ( 0.1182796 0.1182796 0.5000000), wk = 0.0025840 k( 308) = ( 0.1129032 0.1129032 0.5000000), wk = 0.0025840 k( 309) = ( 0.1075269 0.1075269 0.5000000), wk = 0.0025840 k( 310) = ( 0.1021505 0.1021505 0.5000000), wk = 0.0025840 k( 311) = ( 0.0967742 0.0967742 0.5000000), wk = 0.0025840 k( 312) = ( 0.0913979 0.0913978 0.5000000), wk = 0.0025840 k( 313) = ( 0.0860215 0.0860215 0.5000000), wk = 0.0025840 k( 314) = ( 0.0806452 0.0806452 0.5000000), wk = 0.0025840 k( 315) = ( 0.0752688 0.0752688 0.5000000), wk = 0.0025840 k( 316) = ( 0.0698925 0.0698925 0.5000000), wk = 0.0025840 k( 317) = ( 0.0645161 0.0645161 0.5000000), wk = 0.0025840 k( 318) = ( 0.0591398 0.0591398 0.5000000), wk = 0.0025840 k( 319) = ( 0.0537634 0.0537634 0.5000000), wk = 0.0025840 k( 320) = ( 0.0483871 0.0483871 0.5000000), wk = 0.0025840 k( 321) = ( 0.0430108 0.0430108 0.5000000), wk = 0.0025840 k( 322) = ( 0.0376344 0.0376344 0.5000000), wk = 0.0025840 k( 323) = ( 0.0322581 0.0322581 0.5000000), wk = 0.0025840 k( 324) = ( 0.0268817 0.0268817 0.5000000), wk = 0.0025840 k( 325) = ( 0.0215054 0.0215054 0.5000000), wk = 0.0025840 k( 326) = ( 0.0161290 0.0161290 0.5000000), wk = 0.0025840 k( 327) = ( 0.0107527 0.0107527 0.5000000), wk = 0.0025840 k( 328) = ( 0.0053763 0.0053763 0.5000000), wk = 0.0025840 k( 329) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025840 k( 330) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0025840 k( 331) = ( 0.5000000 0.0000000 0.4821429), wk = 0.0025840 k( 332) = ( 0.5000000 0.0000000 0.4642857), wk = 0.0025840 k( 333) = ( 0.5000000 0.0000000 0.4464286), wk = 0.0025840 k( 334) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0025840 k( 335) = ( 0.5000000 0.0000000 0.4107143), wk = 0.0025840 k( 336) = ( 0.5000000 0.0000000 0.3928571), wk = 0.0025840 k( 337) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0025840 k( 338) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0025840 k( 339) = ( 0.5000000 0.0000000 0.3392857), wk = 0.0025840 k( 340) = ( 0.5000000 0.0000000 0.3214286), wk = 0.0025840 k( 341) = ( 0.5000000 0.0000000 0.3035714), wk = 0.0025840 k( 342) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0025840 k( 343) = ( 0.5000000 0.0000000 0.2678571), wk = 0.0025840 k( 344) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0025840 k( 345) = ( 0.5000000 0.0000000 0.2321429), wk = 0.0025840 k( 346) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0025840 k( 347) = ( 0.5000000 0.0000000 0.1964286), wk = 0.0025840 k( 348) = ( 0.5000000 0.0000000 0.1785714), wk = 0.0025840 k( 349) = ( 0.5000000 0.0000000 0.1607143), wk = 0.0025840 k( 350) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0025840 k( 351) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0025840 k( 352) = ( 0.5000000 0.0000000 0.1071429), wk = 0.0025840 k( 353) = ( 0.5000000 0.0000000 0.0892857), wk = 0.0025840 k( 354) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0025840 k( 355) = ( 0.5000000 0.0000000 0.0535714), wk = 0.0025840 k( 356) = ( 0.5000000 0.0000000 0.0357143), wk = 0.0025840 k( 357) = ( 0.5000000 0.0000000 0.0178571), wk = 0.0025840 k( 358) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0025840 k( 359) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0025840 k( 360) = ( 0.3333333 0.3333333 0.0178571), wk = 0.0025840 k( 361) = ( 0.3333333 0.3333333 0.0357143), wk = 0.0025840 k( 362) = ( 0.3333333 0.3333333 0.0535714), wk = 0.0025840 k( 363) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0025840 k( 364) = ( 0.3333333 0.3333333 0.0892857), wk = 0.0025840 k( 365) = ( 0.3333333 0.3333333 0.1071429), wk = 0.0025840 k( 366) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0025840 k( 367) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0025840 k( 368) = ( 0.3333333 0.3333333 0.1607143), wk = 0.0025840 k( 369) = ( 0.3333333 0.3333333 0.1785714), wk = 0.0025840 k( 370) = ( 0.3333333 0.3333333 0.1964286), wk = 0.0025840 k( 371) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0025840 k( 372) = ( 0.3333333 0.3333333 0.2321429), wk = 0.0025840 k( 373) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0025840 k( 374) = ( 0.3333333 0.3333333 0.2678571), wk = 0.0025840 k( 375) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0025840 k( 376) = ( 0.3333333 0.3333333 0.3035714), wk = 0.0025840 k( 377) = ( 0.3333333 0.3333333 0.3214286), wk = 0.0025840 k( 378) = ( 0.3333333 0.3333333 0.3392857), wk = 0.0025840 k( 379) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0025840 k( 380) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0025840 k( 381) = ( 0.3333333 0.3333333 0.3928571), wk = 0.0025840 k( 382) = ( 0.3333333 0.3333333 0.4107143), wk = 0.0025840 k( 383) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0025840 k( 384) = ( 0.3333333 0.3333333 0.4464286), wk = 0.0025840 k( 385) = ( 0.3333333 0.3333333 0.4642857), wk = 0.0025840 k( 386) = ( 0.3333333 0.3333333 0.4821429), wk = 0.0025840 k( 387) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0025840 Dense grid: 37093 G-vectors FFT dimensions: ( 40, 40, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 264, 32) NL pseudopotentials 0.21 Mb ( 132, 102) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1029) G-vector shells 0.00 Mb ( 475) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.52 Mb ( 264, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.10 Mb ( 102, 2, 32) The potential is recalculated from file : ./TiS2.save/charge-density.dat Starting wfc are 16 randomized atomic wfcs + 16 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.6 secs Computing kpt #: 2 total cpu time spent up to now is 2.1 secs Computing kpt #: 3 total cpu time spent up to now is 2.5 secs Computing kpt #: 4 total cpu time spent up to now is 2.8 secs Computing kpt #: 5 total cpu time spent up to now is 3.1 secs Computing kpt #: 6 total cpu time spent up to now is 3.4 secs Computing kpt #: 7 total cpu time spent up to now is 3.7 secs Computing kpt #: 8 total cpu time spent up to now is 4.0 secs Computing kpt #: 9 total cpu time spent up to now is 4.2 secs Computing kpt #: 10 total cpu time spent up to now is 4.5 secs Computing kpt #: 11 total cpu time spent up to now is 4.8 secs Computing kpt #: 12 total cpu time spent up to now is 5.0 secs Computing kpt #: 13 total cpu time spent up to now is 5.3 secs Computing kpt #: 14 total cpu time spent up to now is 5.6 secs Computing kpt #: 15 total cpu time spent up to now is 5.9 secs Computing kpt #: 16 total cpu time spent up to now is 6.1 secs Computing kpt #: 17 total cpu time spent up to now is 6.4 secs Computing kpt #: 18 total cpu time spent up to now is 6.7 secs Computing kpt #: 19 total cpu time spent up to now is 6.9 secs Computing kpt #: 20 total cpu time spent up to now is 7.2 secs Computing kpt #: 21 total cpu time spent up to now is 7.5 secs Computing kpt #: 22 total cpu time spent up to now is 7.7 secs Computing kpt #: 23 total cpu time spent up to now is 8.1 secs Computing kpt #: 24 total cpu time spent up to now is 8.5 secs Computing kpt #: 25 total cpu time spent up to now is 8.8 secs Computing kpt #: 26 total cpu time spent up to now is 9.1 secs Computing kpt #: 27 total cpu time spent up to now is 9.4 secs Computing kpt #: 28 total cpu time spent up to now is 9.6 secs Computing kpt #: 29 total cpu time spent up to now is 9.9 secs Computing kpt #: 30 total cpu time spent up to now is 10.2 secs Computing kpt #: 31 total cpu time spent up to now is 10.5 secs Computing kpt #: 32 total cpu time spent up to now is 10.8 secs Computing kpt #: 33 total cpu time spent up to now is 11.1 secs Computing kpt #: 34 total cpu time spent up to now is 11.3 secs Computing kpt #: 35 total cpu time spent up to now is 11.6 secs Computing kpt #: 36 total cpu time spent up to now is 11.9 secs Computing kpt #: 37 total cpu time spent up to now is 12.2 secs Computing kpt #: 38 total cpu time spent up to now is 12.5 secs Computing kpt #: 39 total cpu time spent up to now is 12.8 secs Computing kpt #: 40 total cpu time spent up to now is 13.1 secs Computing kpt #: 41 total cpu time spent up to now is 13.4 secs Computing kpt #: 42 total cpu time spent up to now is 13.7 secs Computing kpt #: 43 total cpu time spent up to now is 13.9 secs Computing kpt #: 44 total cpu time spent up to now is 14.2 secs Computing kpt #: 45 total cpu time spent up to now is 14.5 secs Computing kpt #: 46 total cpu time spent up to now is 14.8 secs Computing kpt #: 47 total cpu time spent up to now is 15.1 secs Computing kpt #: 48 total cpu time spent up to now is 15.4 secs Computing kpt #: 49 total cpu time spent up to now is 15.9 secs Computing kpt #: 50 total cpu time spent up to now is 16.3 secs Computing kpt #: 51 total cpu time spent up to now is 16.7 secs Computing kpt #: 52 total cpu time spent up to now is 17.1 secs Computing kpt #: 53 total cpu time spent up to now is 17.5 secs Computing kpt #: 54 total cpu time spent up to now is 17.8 secs Computing kpt #: 55 total cpu time spent up to now is 18.1 secs Computing kpt #: 56 total cpu time spent up to now is 18.5 secs Computing kpt #: 57 total cpu time spent up to now is 18.9 secs Computing kpt #: 58 total cpu time spent up to now is 19.3 secs Computing kpt #: 59 total cpu time spent up to now is 19.6 secs Computing kpt #: 60 total cpu time spent up to now is 19.9 secs Computing kpt #: 61 total cpu time spent up to now is 20.3 secs Computing kpt #: 62 total cpu time spent up to now is 20.6 secs Computing kpt #: 63 total cpu time spent up to now is 20.9 secs Computing kpt #: 64 total cpu time spent up to now is 21.2 secs Computing kpt #: 65 total cpu time spent up to now is 21.5 secs Computing kpt #: 66 total cpu time spent up to now is 21.8 secs Computing kpt #: 67 total cpu time spent up to now is 22.1 secs Computing kpt #: 68 total cpu time spent up to now is 22.4 secs Computing kpt #: 69 total cpu time spent up to now is 22.6 secs Computing kpt #: 70 total cpu time spent up to now is 22.9 secs Computing kpt #: 71 total cpu time spent up to now is 23.2 secs Computing kpt #: 72 total cpu time spent up to now is 23.5 secs Computing kpt #: 73 total cpu time spent up to now is 23.8 secs Computing kpt #: 74 total cpu time spent up to now is 24.1 secs Computing kpt #: 75 total cpu time spent up to now is 24.4 secs Computing kpt #: 76 total cpu time spent up to now is 24.6 secs Computing kpt #: 77 total cpu time spent up to now is 24.9 secs Computing kpt #: 78 total cpu time spent up to now is 25.2 secs Computing kpt #: 79 total cpu time spent up to now is 25.5 secs Computing kpt #: 80 total cpu time spent up to now is 25.8 secs Computing kpt #: 81 total cpu time spent up to now is 26.1 secs Computing kpt #: 82 total cpu time spent up to now is 26.4 secs Computing kpt #: 83 total cpu time spent up to now is 26.7 secs Computing kpt #: 84 total cpu time spent up to now is 27.0 secs Computing kpt #: 85 total cpu time spent up to now is 27.4 secs Computing kpt #: 86 total cpu time spent up to now is 27.7 secs Computing kpt #: 87 total cpu time spent up to now is 28.1 secs Computing kpt #: 88 total cpu time spent up to now is 28.4 secs Computing kpt #: 89 total cpu time spent up to now is 28.7 secs Computing kpt #: 90 total cpu time spent up to now is 29.0 secs Computing kpt #: 91 total cpu time spent up to now is 29.3 secs Computing kpt #: 92 total cpu time spent up to now is 30.0 secs Computing kpt #: 93 total cpu time spent up to now is 30.2 secs Computing kpt #: 94 total cpu time spent up to now is 30.5 secs Computing kpt #: 95 total cpu time spent up to now is 30.8 secs Computing kpt #: 96 total cpu time spent up to now is 31.1 secs Computing kpt #: 97 total cpu time spent up to now is 31.3 secs Computing kpt #: 98 total cpu time spent up to now is 31.6 secs Computing kpt #: 99 total cpu time spent up to now is 31.9 secs Computing kpt #: 100 total cpu time spent up to now is 32.1 secs Computing kpt #: 101 total cpu time spent up to now is 32.4 secs Computing kpt #: 102 total cpu time spent up to now is 32.7 secs Computing kpt #: 103 total cpu time spent up to now is 32.9 secs Computing kpt #: 104 total cpu time spent up to now is 33.2 secs Computing kpt #: 105 total cpu time spent up to now is 33.4 secs Computing kpt #: 106 total cpu time spent up to now is 33.7 secs Computing kpt #: 107 total cpu time spent up to now is 34.0 secs Computing kpt #: 108 total cpu time spent up to now is 34.2 secs Computing kpt #: 109 total cpu time spent up to now is 34.5 secs Computing kpt #: 110 total cpu time spent up to now is 34.8 secs Computing kpt #: 111 total cpu time spent up to now is 35.0 secs Computing kpt #: 112 total cpu time spent up to now is 35.3 secs Computing kpt #: 113 total cpu time spent up to now is 35.5 secs Computing kpt #: 114 total cpu time spent up to now is 35.8 secs Computing kpt #: 115 total cpu time spent up to now is 36.1 secs Computing kpt #: 116 total cpu time spent up to now is 36.4 secs Computing kpt #: 117 total cpu time spent up to now is 36.7 secs Computing kpt #: 118 total cpu time spent up to now is 37.1 secs Computing kpt #: 119 total cpu time spent up to now is 37.5 secs Computing kpt #: 120 total cpu time spent up to now is 37.9 secs Computing kpt #: 121 total cpu time spent up to now is 38.3 secs Computing kpt #: 122 total cpu time spent up to now is 38.6 secs Computing kpt #: 123 total cpu time spent up to now is 38.9 secs Computing kpt #: 124 total cpu time spent up to now is 39.2 secs Computing kpt #: 125 total cpu time spent up to now is 39.4 secs Computing kpt #: 126 total cpu time spent up to now is 39.7 secs Computing kpt #: 127 total cpu time spent up to now is 40.0 secs Computing kpt #: 128 total cpu time spent up to now is 40.3 secs Computing kpt #: 129 total cpu time spent up to now is 40.6 secs Computing kpt #: 130 total cpu time spent up to now is 40.9 secs Computing kpt #: 131 total cpu time spent up to now is 41.2 secs Computing kpt #: 132 total cpu time spent up to now is 41.4 secs Computing kpt #: 133 total cpu time spent up to now is 41.7 secs Computing kpt #: 134 total cpu time spent up to now is 42.0 secs Computing kpt #: 135 total cpu time spent up to now is 42.3 secs Computing kpt #: 136 total cpu time spent up to now is 42.6 secs Computing kpt #: 137 total cpu time spent up to now is 42.9 secs Computing kpt #: 138 total cpu time spent up to now is 43.2 secs Computing kpt #: 139 total cpu time spent up to now is 43.5 secs Computing kpt #: 140 total cpu time spent up to now is 43.7 secs Computing kpt #: 141 total cpu time spent up to now is 44.0 secs Computing kpt #: 142 total cpu time spent up to now is 44.3 secs Computing kpt #: 143 total cpu time spent up to now is 44.6 secs Computing kpt #: 144 total cpu time spent up to now is 44.9 secs Computing kpt #: 145 total cpu time spent up to now is 45.1 secs Computing kpt #: 146 total cpu time spent up to now is 45.4 secs Computing kpt #: 147 total cpu time spent up to now is 45.7 secs Computing kpt #: 148 total cpu time spent up to now is 46.0 secs Computing kpt #: 149 total cpu time spent up to now is 46.4 secs Computing kpt #: 150 total cpu time spent up to now is 46.8 secs Computing kpt #: 151 total cpu time spent up to now is 47.2 secs Computing kpt #: 152 total cpu time spent up to now is 47.6 secs Computing kpt #: 153 total cpu time spent up to now is 48.0 secs Computing kpt #: 154 total cpu time spent up to now is 48.4 secs Computing kpt #: 155 total cpu time spent up to now is 48.8 secs Computing kpt #: 156 total cpu time spent up to now is 49.2 secs Computing kpt #: 157 total cpu time spent up to now is 49.6 secs Computing kpt #: 158 total cpu time spent up to now is 50.0 secs Computing kpt #: 159 total cpu time spent up to now is 50.4 secs Computing kpt #: 160 total cpu time spent up to now is 50.9 secs Computing kpt #: 161 total cpu time spent up to now is 51.3 secs Computing kpt #: 162 total cpu time spent up to now is 51.7 secs Computing kpt #: 163 total cpu time spent up to now is 52.1 secs Computing kpt #: 164 total cpu time spent up to now is 52.5 secs Computing kpt #: 165 total cpu time spent up to now is 53.0 secs Computing kpt #: 166 total cpu time spent up to now is 53.4 secs Computing kpt #: 167 total cpu time spent up to now is 53.8 secs Computing kpt #: 168 total cpu time spent up to now is 54.2 secs Computing kpt #: 169 total cpu time spent up to now is 54.7 secs Computing kpt #: 170 total cpu time spent up to now is 55.1 secs Computing kpt #: 171 total cpu time spent up to now is 55.5 secs Computing kpt #: 172 total cpu time spent up to now is 55.9 secs Computing kpt #: 173 total cpu time spent up to now is 56.3 secs Computing kpt #: 174 total cpu time spent up to now is 56.7 secs Computing kpt #: 175 total cpu time spent up to now is 57.1 secs Computing kpt #: 176 total cpu time spent up to now is 57.5 secs Computing kpt #: 177 total cpu time spent up to now is 57.9 secs Computing kpt #: 178 total cpu time spent up to now is 58.3 secs Computing kpt #: 179 total cpu time spent up to now is 58.7 secs Computing kpt #: 180 total cpu time spent up to now is 59.1 secs Computing kpt #: 181 total cpu time spent up to now is 59.5 secs Computing kpt #: 182 total cpu time spent up to now is 59.8 secs Computing kpt #: 183 total cpu time spent up to now is 60.1 secs Computing kpt #: 184 total cpu time spent up to now is 60.4 secs Computing kpt #: 185 total cpu time spent up to now is 60.7 secs Computing kpt #: 186 total cpu time spent up to now is 60.9 secs Computing kpt #: 187 total cpu time spent up to now is 61.2 secs Computing kpt #: 188 total cpu time spent up to now is 61.5 secs Computing kpt #: 189 total cpu time spent up to now is 61.7 secs Computing kpt #: 190 total cpu time spent up to now is 62.0 secs Computing kpt #: 191 total cpu time spent up to now is 62.3 secs Computing kpt #: 192 total cpu time spent up to now is 62.5 secs Computing kpt #: 193 total cpu time spent up to now is 62.8 secs Computing kpt #: 194 total cpu time spent up to now is 63.1 secs Computing kpt #: 195 total cpu time spent up to now is 63.3 secs Computing kpt #: 196 total cpu time spent up to now is 63.6 secs Computing kpt #: 197 total cpu time spent up to now is 63.9 secs Computing kpt #: 198 total cpu time spent up to now is 64.1 secs Computing kpt #: 199 total cpu time spent up to now is 64.4 secs Computing kpt #: 200 total cpu time spent up to now is 64.7 secs Computing kpt #: 201 total cpu time spent up to now is 65.0 secs Computing kpt #: 202 total cpu time spent up to now is 65.3 secs Computing kpt #: 203 total cpu time spent up to now is 65.5 secs Computing kpt #: 204 total cpu time spent up to now is 65.8 secs Computing kpt #: 205 total cpu time spent up to now is 66.1 secs Computing kpt #: 206 total cpu time spent up to now is 66.4 secs Computing kpt #: 207 total cpu time spent up to now is 66.7 secs Computing kpt #: 208 total cpu time spent up to now is 66.9 secs Computing kpt #: 209 total cpu time spent up to now is 67.2 secs Computing kpt #: 210 total cpu time spent up to now is 67.5 secs Computing kpt #: 211 total cpu time spent up to now is 67.7 secs Computing kpt #: 212 total cpu time spent up to now is 68.0 secs Computing kpt #: 213 total cpu time spent up to now is 68.3 secs Computing kpt #: 214 total cpu time spent up to now is 68.6 secs Computing kpt #: 215 total cpu time spent up to now is 68.9 secs Computing kpt #: 216 total cpu time spent up to now is 69.2 secs Computing kpt #: 217 total cpu time spent up to now is 69.5 secs Computing kpt #: 218 total cpu time spent up to now is 69.8 secs Computing kpt #: 219 total cpu time spent up to now is 70.1 secs Computing kpt #: 220 total cpu time spent up to now is 70.4 secs Computing kpt #: 221 total cpu time spent up to now is 70.7 secs Computing kpt #: 222 total cpu time spent up to now is 71.1 secs Computing kpt #: 223 total cpu time spent up to now is 71.4 secs Computing kpt #: 224 total cpu time spent up to now is 71.8 secs Computing kpt #: 225 total cpu time spent up to now is 72.1 secs Computing kpt #: 226 total cpu time spent up to now is 72.4 secs Computing kpt #: 227 total cpu time spent up to now is 72.8 secs Computing kpt #: 228 total cpu time spent up to now is 73.1 secs Computing kpt #: 229 total cpu time spent up to now is 73.4 secs Computing kpt #: 230 total cpu time spent up to now is 73.6 secs Computing kpt #: 231 total cpu time spent up to now is 73.9 secs Computing kpt #: 232 total cpu time spent up to now is 74.3 secs Computing kpt #: 233 total cpu time spent up to now is 74.5 secs Computing kpt #: 234 total cpu time spent up to now is 74.8 secs Computing kpt #: 235 total cpu time spent up to now is 75.1 secs Computing kpt #: 236 total cpu time spent up to now is 75.4 secs Computing kpt #: 237 total cpu time spent up to now is 75.7 secs Computing kpt #: 238 total cpu time spent up to now is 76.0 secs Computing kpt #: 239 total cpu time spent up to now is 76.3 secs Computing kpt #: 240 total cpu time spent up to now is 76.6 secs Computing kpt #: 241 total cpu time spent up to now is 76.9 secs Computing kpt #: 242 total cpu time spent up to now is 77.2 secs Computing kpt #: 243 total cpu time spent up to now is 77.4 secs Computing kpt #: 244 total cpu time spent up to now is 77.7 secs Computing kpt #: 245 total cpu time spent up to now is 78.0 secs Computing kpt #: 246 total cpu time spent up to now is 78.3 secs Computing kpt #: 247 total cpu time spent up to now is 78.6 secs Computing kpt #: 248 total cpu time spent up to now is 78.8 secs Computing kpt #: 249 total cpu time spent up to now is 79.1 secs Computing kpt #: 250 total cpu time spent up to now is 79.4 secs Computing kpt #: 251 total cpu time spent up to now is 79.7 secs Computing kpt #: 252 total cpu time spent up to now is 80.0 secs Computing kpt #: 253 total cpu time spent up to now is 80.3 secs Computing kpt #: 254 total cpu time spent up to now is 80.6 secs Computing kpt #: 255 total cpu time spent up to now is 80.8 secs Computing kpt #: 256 total cpu time spent up to now is 81.1 secs Computing kpt #: 257 total cpu time spent up to now is 81.4 secs Computing kpt #: 258 total cpu time spent up to now is 81.7 secs Computing kpt #: 259 total cpu time spent up to now is 82.0 secs Computing kpt #: 260 total cpu time spent up to now is 82.3 secs Computing kpt #: 261 total cpu time spent up to now is 82.6 secs Computing kpt #: 262 total cpu time spent up to now is 82.9 secs Computing kpt #: 263 total cpu time spent up to now is 83.2 secs Computing kpt #: 264 total cpu time spent up to now is 83.4 secs Computing kpt #: 265 total cpu time spent up to now is 83.7 secs Computing kpt #: 266 total cpu time spent up to now is 84.0 secs Computing kpt #: 267 total cpu time spent up to now is 84.3 secs Computing kpt #: 268 total cpu time spent up to now is 84.6 secs Computing kpt #: 269 total cpu time spent up to now is 84.9 secs Computing kpt #: 270 total cpu time spent up to now is 85.2 secs Computing kpt #: 271 total cpu time spent up to now is 85.4 secs Computing kpt #: 272 total cpu time spent up to now is 85.7 secs Computing kpt #: 273 total cpu time spent up to now is 86.0 secs Computing kpt #: 274 total cpu time spent up to now is 86.3 secs Computing kpt #: 275 total cpu time spent up to now is 86.6 secs Computing kpt #: 276 total cpu time spent up to now is 86.9 secs Computing kpt #: 277 total cpu time spent up to now is 87.1 secs Computing kpt #: 278 total cpu time spent up to now is 87.4 secs Computing kpt #: 279 total cpu time spent up to now is 87.7 secs Computing kpt #: 280 total cpu time spent up to now is 88.0 secs Computing kpt #: 281 total cpu time spent up to now is 88.3 secs Computing kpt #: 282 total cpu time spent up to now is 88.5 secs Computing kpt #: 283 total cpu time spent up to now is 88.8 secs Computing kpt #: 284 total cpu time spent up to now is 89.1 secs Computing kpt #: 285 total cpu time spent up to now is 89.3 secs Computing kpt #: 286 total cpu time spent up to now is 89.6 secs Computing kpt #: 287 total cpu time spent up to now is 89.9 secs Computing kpt #: 288 total cpu time spent up to now is 90.2 secs Computing kpt #: 289 total cpu time spent up to now is 90.4 secs Computing kpt #: 290 total cpu time spent up to now is 90.7 secs Computing kpt #: 291 total cpu time spent up to now is 91.0 secs Computing kpt #: 292 total cpu time spent up to now is 91.3 secs Computing kpt #: 293 total cpu time spent up to now is 91.6 secs Computing kpt #: 294 total cpu time spent up to now is 91.9 secs Computing kpt #: 295 total cpu time spent up to now is 92.2 secs Computing kpt #: 296 total cpu time spent up to now is 92.4 secs Computing kpt #: 297 total cpu time spent up to now is 92.7 secs Computing kpt #: 298 total cpu time spent up to now is 93.0 secs Computing kpt #: 299 total cpu time spent up to now is 93.3 secs Computing kpt #: 300 total cpu time spent up to now is 93.6 secs Computing kpt #: 301 total cpu time spent up to now is 93.9 secs Computing kpt #: 302 total cpu time spent up to now is 94.1 secs Computing kpt #: 303 total cpu time spent up to now is 94.4 secs Computing kpt #: 304 total cpu time spent up to now is 94.7 secs Computing kpt #: 305 total cpu time spent up to now is 95.0 secs Computing kpt #: 306 total cpu time spent up to now is 95.3 secs Computing kpt #: 307 total cpu time spent up to now is 95.6 secs Computing kpt #: 308 total cpu time spent up to now is 95.9 secs Computing kpt #: 309 total cpu time spent up to now is 96.2 secs Computing kpt #: 310 total cpu time spent up to now is 96.4 secs Computing kpt #: 311 total cpu time spent up to now is 96.7 secs Computing kpt #: 312 total cpu time spent up to now is 97.0 secs Computing kpt #: 313 total cpu time spent up to now is 97.3 secs Computing kpt #: 314 total cpu time spent up to now is 97.6 secs Computing kpt #: 315 total cpu time spent up to now is 97.8 secs Computing kpt #: 316 total cpu time spent up to now is 98.1 secs Computing kpt #: 317 total cpu time spent up to now is 98.4 secs Computing kpt #: 318 total cpu time spent up to now is 98.6 secs Computing kpt #: 319 total cpu time spent up to now is 98.9 secs Computing kpt #: 320 total cpu time spent up to now is 99.2 secs Computing kpt #: 321 total cpu time spent up to now is 99.4 secs Computing kpt #: 322 total cpu time spent up to now is 99.7 secs Computing kpt #: 323 total cpu time spent up to now is 100.0 secs Computing kpt #: 324 total cpu time spent up to now is 100.3 secs Computing kpt #: 325 total cpu time spent up to now is 100.5 secs Computing kpt #: 326 total cpu time spent up to now is 100.8 secs Computing kpt #: 327 total cpu time spent up to now is 101.2 secs Computing kpt #: 328 total cpu time spent up to now is 101.6 secs Computing kpt #: 329 total cpu time spent up to now is 102.0 secs Computing kpt #: 330 total cpu time spent up to now is 102.3 secs Computing kpt #: 331 total cpu time spent up to now is 102.6 secs Computing kpt #: 332 total cpu time spent up to now is 102.9 secs Computing kpt #: 333 total cpu time spent up to now is 103.2 secs Computing kpt #: 334 total cpu time spent up to now is 103.5 secs Computing kpt #: 335 total cpu time spent up to now is 103.8 secs Computing kpt #: 336 total cpu time spent up to now is 104.1 secs Computing kpt #: 337 total cpu time spent up to now is 104.4 secs Computing kpt #: 338 total cpu time spent up to now is 104.7 secs Computing kpt #: 339 total cpu time spent up to now is 105.0 secs Computing kpt #: 340 total cpu time spent up to now is 105.3 secs Computing kpt #: 341 total cpu time spent up to now is 105.6 secs Computing kpt #: 342 total cpu time spent up to now is 106.0 secs Computing kpt #: 343 total cpu time spent up to now is 106.3 secs Computing kpt #: 344 total cpu time spent up to now is 106.6 secs Computing kpt #: 345 total cpu time spent up to now is 107.0 secs Computing kpt #: 346 total cpu time spent up to now is 107.3 secs Computing kpt #: 347 total cpu time spent up to now is 107.7 secs Computing kpt #: 348 total cpu time spent up to now is 108.2 secs Computing kpt #: 349 total cpu time spent up to now is 108.6 secs Computing kpt #: 350 total cpu time spent up to now is 109.0 secs Computing kpt #: 351 total cpu time spent up to now is 109.4 secs Computing kpt #: 352 total cpu time spent up to now is 109.8 secs Computing kpt #: 353 total cpu time spent up to now is 110.2 secs Computing kpt #: 354 total cpu time spent up to now is 110.6 secs Computing kpt #: 355 total cpu time spent up to now is 110.9 secs Computing kpt #: 356 total cpu time spent up to now is 111.3 secs Computing kpt #: 357 total cpu time spent up to now is 111.6 secs Computing kpt #: 358 total cpu time spent up to now is 111.9 secs Computing kpt #: 359 total cpu time spent up to now is 112.4 secs Computing kpt #: 360 total cpu time spent up to now is 112.7 secs Computing kpt #: 361 total cpu time spent up to now is 113.0 secs Computing kpt #: 362 total cpu time spent up to now is 113.3 secs Computing kpt #: 363 total cpu time spent up to now is 113.7 secs Computing kpt #: 364 total cpu time spent up to now is 114.0 secs Computing kpt #: 365 total cpu time spent up to now is 114.3 secs Computing kpt #: 366 total cpu time spent up to now is 114.6 secs Computing kpt #: 367 total cpu time spent up to now is 115.0 secs Computing kpt #: 368 total cpu time spent up to now is 115.3 secs Computing kpt #: 369 total cpu time spent up to now is 115.6 secs Computing kpt #: 370 total cpu time spent up to now is 115.9 secs Computing kpt #: 371 total cpu time spent up to now is 116.2 secs Computing kpt #: 372 total cpu time spent up to now is 116.5 secs Computing kpt #: 373 total cpu time spent up to now is 116.8 secs Computing kpt #: 374 total cpu time spent up to now is 117.2 secs Computing kpt #: 375 total cpu time spent up to now is 117.4 secs Computing kpt #: 376 total cpu time spent up to now is 117.8 secs Computing kpt #: 377 total cpu time spent up to now is 118.1 secs Computing kpt #: 378 total cpu time spent up to now is 118.4 secs Computing kpt #: 379 total cpu time spent up to now is 118.7 secs Computing kpt #: 380 total cpu time spent up to now is 119.0 secs Computing kpt #: 381 total cpu time spent up to now is 119.3 secs Computing kpt #: 382 total cpu time spent up to now is 119.6 secs Computing kpt #: 383 total cpu time spent up to now is 119.9 secs Computing kpt #: 384 total cpu time spent up to now is 120.2 secs Computing kpt #: 385 total cpu time spent up to now is 120.5 secs Computing kpt #: 386 total cpu time spent up to now is 120.8 secs Computing kpt #: 387 total cpu time spent up to now is 121.1 secs ethr = 4.17E-08, avg # of iterations = 20.5 total cpu time spent up to now is 121.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4597 PWs) bands (ev): -49.6485 -49.6485 -26.2811 -26.2811 -25.6385 -25.6385 -25.6058 -25.6058 -5.8174 -5.8174 -4.1123 -4.1123 2.5972 2.5972 5.1988 5.1988 5.2246 5.2246 7.9315 7.9315 8.0706 8.0706 8.1232 8.1232 8.4974 8.4974 8.4996 8.4996 8.9014 8.9014 11.4761 11.4761 k = 0.0093 0.0053-0.0000 ( 4599 PWs) bands (ev): -49.6485 -49.6485 -26.2811 -26.2811 -25.6385 -25.6385 -25.6059 -25.6059 -5.8163 -5.8163 -4.1121 -4.1121 2.5985 2.5985 5.1978 5.1978 5.2238 5.2238 7.9298 7.9298 8.0602 8.0602 8.1093 8.1093 8.5071 8.5071 8.5085 8.5085 8.9033 8.9033 11.4743 11.4743 k = 0.0185 0.0107-0.0000 ( 4603 PWs) bands (ev): -49.6485 -49.6485 -26.2812 -26.2812 -25.6386 -25.6386 -25.6061 -25.6061 -5.8132 -5.8132 -4.1114 -4.1114 2.6023 2.6023 5.1944 5.1944 5.2221 5.2221 7.9228 7.9228 8.0319 8.0319 8.0734 8.0734 8.5289 8.5289 8.5358 8.5358 8.9092 8.9092 11.4682 11.4682 k = 0.0278 0.0160-0.0000 ( 4605 PWs) bands (ev): -49.6484 -49.6484 -26.2814 -26.2814 -25.6386 -25.6386 -25.6065 -25.6065 -5.8080 -5.8080 -4.1103 -4.1103 2.6087 2.6087 5.1868 5.1868 5.2210 5.2210 7.9020 7.9020 7.9944 7.9944 8.0281 8.0281 8.5564 8.5564 8.5750 8.5750 8.9195 8.9195 11.4566 11.4566 k = 0.0370 0.0214-0.0000 ( 4607 PWs) bands (ev): -49.6484 -49.6484 -26.2816 -26.2816 -25.6387 -25.6387 -25.6070 -25.6070 -5.8007 -5.8007 -4.1087 -4.1087 2.6177 2.6177 5.1744 5.1744 5.2216 5.2216 7.8525 7.8525 7.9539 7.9539 7.9923 7.9923 8.5836 8.5836 8.6209 8.6209 8.9343 8.9343 11.4392 11.4392 k = 0.0463 0.0267-0.0000 ( 4597 PWs) bands (ev): -49.6483 -49.6483 -26.2819 -26.2819 -25.6388 -25.6388 -25.6076 -25.6076 -5.7914 -5.7914 -4.1067 -4.1067 2.6292 2.6292 5.1573 5.1573 5.2237 5.2237 7.7767 7.7767 7.9031 7.9031 7.9778 7.9778 8.6070 8.6070 8.6708 8.6708 8.9540 8.9540 11.4173 11.4173 k = 0.0556 0.0321-0.0000 ( 4597 PWs) bands (ev): -49.6481 -49.6481 -26.2823 -26.2823 -25.6390 -25.6390 -25.6084 -25.6084 -5.7801 -5.7801 -4.1042 -4.1042 2.6432 2.6432 5.1361 5.1361 5.2271 5.2271 7.6855 7.6855 7.8469 7.8469 7.9723 7.9723 8.6248 8.6248 8.7227 8.7227 8.9780 8.9780 11.3921 11.3921 k = 0.0648 0.0374-0.0000 ( 4609 PWs) bands (ev): -49.6480 -49.6480 -26.2828 -26.2828 -25.6391 -25.6391 -25.6093 -25.6093 -5.7667 -5.7667 -4.1013 -4.1013 2.6597 2.6597 5.1114 5.1114 5.2314 5.2314 7.5848 7.5848 7.7887 7.7887 7.9691 7.9691 8.6370 8.6370 8.7754 8.7754 9.0057 9.0057 11.3651 11.3651 k = 0.0741 0.0428-0.0000 ( 4609 PWs) bands (ev): -49.6479 -49.6479 -26.2833 -26.2833 -25.6393 -25.6393 -25.6103 -25.6103 -5.7513 -5.7513 -4.0981 -4.0981 2.6787 2.6787 5.0834 5.0834 5.2365 5.2365 7.4770 7.4770 7.7294 7.7294 7.9657 7.9657 8.6441 8.6441 8.8281 8.8281 9.0361 9.0361 11.3375 11.3375 k = 0.0833 0.0481-0.0000 ( 4605 PWs) bands (ev): -49.6477 -49.6477 -26.2838 -26.2838 -25.6396 -25.6396 -25.6114 -25.6114 -5.7339 -5.7339 -4.0944 -4.0944 2.7002 2.7002 5.0526 5.0526 5.2423 5.2423 7.3638 7.3638 7.6698 7.6698 7.9608 7.9608 8.6468 8.6468 8.8802 8.8802 9.0682 9.0682 11.3104 11.3104 k = 0.0926 0.0535-0.0000 ( 4604 PWs) bands (ev): -49.6475 -49.6475 -26.2845 -26.2845 -25.6399 -25.6399 -25.6126 -25.6126 -5.7146 -5.7146 -4.0903 -4.0903 2.7242 2.7242 5.0193 5.0193 5.2487 5.2487 7.2459 7.2459 7.6101 7.6101 7.9538 7.9538 8.6459 8.6459 8.9313 8.9313 9.1013 9.1013 11.2847 11.2847 k = 0.1019 0.0588-0.0000 ( 4604 PWs) bands (ev): -49.6473 -49.6473 -26.2852 -26.2852 -25.6402 -25.6402 -25.6139 -25.6139 -5.6933 -5.6933 -4.0858 -4.0858 2.7505 2.7505 4.9838 4.9838 5.2557 5.2557 7.1242 7.1242 7.5507 7.5507 7.9438 7.9438 8.6423 8.6423 8.9810 8.9810 9.1347 9.1347 11.2615 11.2615 k = 0.1111 0.0642-0.0000 ( 4610 PWs) bands (ev): -49.6470 -49.6470 -26.2860 -26.2860 -25.6406 -25.6406 -25.6153 -25.6153 -5.6702 -5.6702 -4.0810 -4.0810 2.7792 2.7792 4.9465 4.9465 5.2631 5.2631 6.9992 6.9992 7.4917 7.4917 7.9303 7.9303 8.6363 8.6363 9.0290 9.0290 9.1682 9.1682 11.2413 11.2413 k = 0.1204 0.0695-0.0000 ( 4612 PWs) bands (ev): -49.6468 -49.6468 -26.2868 -26.2868 -25.6411 -25.6411 -25.6167 -25.6167 -5.6452 -5.6452 -4.0759 -4.0759 2.8103 2.8103 4.9076 4.9076 5.2710 5.2710 6.8715 6.8715 7.4335 7.4335 7.9128 7.9128 8.6285 8.6285 9.0752 9.0752 9.2014 9.2014 11.2248 11.2248 k = 0.1296 0.0748-0.0000 ( 4612 PWs) bands (ev): -49.6465 -49.6465 -26.2877 -26.2877 -25.6417 -25.6417 -25.6181 -25.6181 -5.6184 -5.6184 -4.0704 -4.0704 2.8436 2.8436 4.8674 4.8674 5.2793 5.2793 6.7417 6.7417 7.3760 7.3760 7.8910 7.8910 8.6191 8.6191 9.1192 9.1192 9.2342 9.2342 11.2125 11.2125 k = 0.1389 0.0802-0.0000 ( 4612 PWs) bands (ev): -49.6463 -49.6463 -26.2886 -26.2886 -25.6424 -25.6424 -25.6195 -25.6195 -5.5898 -5.5898 -4.0647 -4.0647 2.8792 2.8792 4.8261 4.8261 5.2879 5.2879 6.6101 6.6101 7.3196 7.3196 7.8644 7.8644 8.6085 8.6085 9.1610 9.1610 9.2667 9.2667 11.2048 11.2048 k = 0.1481 0.0855-0.0000 ( 4608 PWs) bands (ev): -49.6460 -49.6460 -26.2896 -26.2896 -25.6432 -25.6432 -25.6209 -25.6209 -5.5595 -5.5595 -4.0586 -4.0586 2.9170 2.9170 4.7841 4.7841 5.2966 5.2966 6.4772 6.4772 7.2643 7.2643 7.8330 7.8330 8.5969 8.5969 9.2004 9.2004 9.2988 9.2988 11.2017 11.2017 k = 0.1574 0.0909-0.0000 ( 4614 PWs) bands (ev): -49.6457 -49.6457 -26.2906 -26.2906 -25.6441 -25.6441 -25.6223 -25.6223 -5.5275 -5.5275 -4.0524 -4.0524 2.9570 2.9570 4.7414 4.7414 5.3056 5.3056 6.3435 6.3435 7.2102 7.2102 7.7965 7.7965 8.5844 8.5844 9.2373 9.2373 9.3304 9.3304 11.2033 11.2033 k = 0.1667 0.0962-0.0000 ( 4610 PWs) bands (ev): -49.6454 -49.6454 -26.2917 -26.2917 -25.6452 -25.6452 -25.6236 -25.6236 -5.4940 -5.4940 -4.0459 -4.0459 2.9990 2.9990 4.6983 4.6983 5.3146 5.3146 6.2093 6.2093 7.1574 7.1574 7.7550 7.7550 8.5713 8.5713 9.2717 9.2717 9.3616 9.3616 11.2096 11.2096 k = 0.1759 0.1016-0.0000 ( 4616 PWs) bands (ev): -49.6450 -49.6450 -26.2928 -26.2928 -25.6464 -25.6464 -25.6248 -25.6248 -5.4589 -5.4589 -4.0392 -4.0392 3.0430 3.0430 4.6550 4.6550 5.3235 5.3235 6.0752 6.0752 7.1061 7.1061 7.7086 7.7086 8.5576 8.5576 9.3035 9.3035 9.3925 9.3925 11.2204 11.2204 k = 0.1852 0.1069-0.0000 ( 4630 PWs) bands (ev): -49.6447 -49.6447 -26.2940 -26.2940 -25.6479 -25.6479 -25.6259 -25.6259 -5.4223 -5.4223 -4.0324 -4.0324 3.0890 3.0890 4.6114 4.6114 5.3324 5.3324 5.9416 5.9416 7.0563 7.0563 7.6575 7.6575 8.5435 8.5435 9.3327 9.3327 9.4230 9.4230 11.2354 11.2354 k = 0.1944 0.1123-0.0000 ( 4634 PWs) bands (ev): -49.6444 -49.6444 -26.2952 -26.2952 -25.6494 -25.6494 -25.6268 -25.6268 -5.3843 -5.3843 -4.0254 -4.0254 3.1368 3.1368 4.5677 4.5677 5.3411 5.3411 5.8088 5.8088 7.0082 7.0082 7.6019 7.6019 8.5291 8.5291 9.3593 9.3593 9.4531 9.4531 11.2542 11.2542 k = 0.2037 0.1176-0.0000 ( 4636 PWs) bands (ev): -49.6440 -49.6440 -26.2965 -26.2965 -25.6512 -25.6512 -25.6277 -25.6277 -5.3449 -5.3449 -4.0184 -4.0184 3.1864 3.1864 4.5239 4.5239 5.3495 5.3495 5.6775 5.6775 6.9618 6.9618 7.5421 7.5421 8.5145 8.5145 9.3834 9.3834 9.4829 9.4829 11.2765 11.2765 k = 0.2130 0.1230-0.0000 ( 4644 PWs) bands (ev): -49.6437 -49.6437 -26.2978 -26.2978 -25.6531 -25.6531 -25.6284 -25.6284 -5.3043 -5.3043 -4.0113 -4.0113 3.2376 3.2376 4.4799 4.4799 5.3576 5.3576 5.5481 5.5481 6.9171 6.9171 7.4785 7.4785 8.4997 8.4997 9.4051 9.4051 9.5124 9.5124 11.3016 11.3016 k = 0.2222 0.1283-0.0000 ( 4636 PWs) bands (ev): -49.6433 -49.6433 -26.2991 -26.2991 -25.6551 -25.6551 -25.6291 -25.6291 -5.2626 -5.2626 -4.0041 -4.0041 3.2904 3.2904 4.4355 4.4355 5.3651 5.3651 5.4213 5.4213 6.8744 6.8744 7.4114 7.4114 8.4849 8.4849 9.4244 9.4244 9.5415 9.5415 11.3292 11.3292 k = 0.2315 0.1336-0.0000 ( 4640 PWs) bands (ev): -49.6429 -49.6429 -26.3004 -26.3004 -25.6572 -25.6572 -25.6296 -25.6296 -5.2197 -5.2197 -3.9970 -3.9970 3.3446 3.3446 4.3906 4.3906 5.2973 5.2973 5.3725 5.3725 6.8336 6.8336 7.3412 7.3412 8.4700 8.4700 9.4415 9.4415 9.5703 9.5703 11.3586 11.3586 k = 0.2407 0.1390-0.0000 ( 4638 PWs) bands (ev): -49.6426 -49.6426 -26.3018 -26.3018 -25.6594 -25.6594 -25.6301 -25.6301 -5.1759 -5.1759 -3.9899 -3.9899 3.3999 3.3999 4.3448 4.3448 5.1777 5.1777 5.3789 5.3789 6.7947 6.7947 7.2683 7.2683 8.4552 8.4552 9.4566 9.4566 9.5987 9.5987 11.3894 11.3894 k = 0.2500 0.1443-0.0000 ( 4638 PWs) bands (ev): -49.6422 -49.6422 -26.3031 -26.3031 -25.6617 -25.6617 -25.6305 -25.6305 -5.1311 -5.1311 -3.9830 -3.9830 3.4562 3.4562 4.2975 4.2975 5.0629 5.0629 5.3848 5.3848 6.7579 6.7579 7.1932 7.1932 8.4405 8.4405 9.4697 9.4697 9.6267 9.6267 11.4209 11.4209 k = 0.2593 0.1497-0.0000 ( 4644 PWs) bands (ev): -49.6418 -49.6418 -26.3045 -26.3045 -25.6640 -25.6640 -25.6308 -25.6308 -5.0856 -5.0856 -3.9762 -3.9762 3.5132 3.5132 4.2484 4.2484 4.9542 4.9542 5.3899 5.3899 6.7231 6.7231 7.1161 7.1161 8.4259 8.4259 9.4811 9.4811 9.6542 9.6542 11.4527 11.4527 k = 0.2685 0.1550-0.0000 ( 4652 PWs) bands (ev): -49.6415 -49.6415 -26.3059 -26.3059 -25.6663 -25.6663 -25.6311 -25.6311 -5.0393 -5.0393 -3.9695 -3.9695 3.5703 3.5703 4.1968 4.1968 4.8528 4.8528 5.3942 5.3942 6.6904 6.6904 7.0375 7.0375 8.4115 8.4115 9.4909 9.4909 9.6811 9.6811 11.4843 11.4843 k = 0.2778 0.1604-0.0000 ( 4652 PWs) bands (ev): -49.6411 -49.6411 -26.3073 -26.3073 -25.6687 -25.6687 -25.6314 -25.6314 -4.9925 -4.9925 -3.9631 -3.9631 3.6267 3.6267 4.1426 4.1426 4.7599 4.7599 5.3977 5.3977 6.6598 6.6598 6.9577 6.9577 8.3973 8.3973 9.4994 9.4994 9.7074 9.7074 11.5151 11.5151 k = 0.2870 0.1657-0.0000 ( 4652 PWs) bands (ev): -49.6407 -49.6407 -26.3087 -26.3087 -25.6710 -25.6710 -25.6316 -25.6316 -4.9453 -4.9453 -3.9570 -3.9570 3.6805 3.6805 4.0867 4.0867 4.6765 4.6765 5.4003 5.4003 6.6312 6.6312 6.8772 6.8772 8.3835 8.3835 9.5067 9.5067 9.7329 9.7329 11.5447 11.5447 k = 0.2963 0.1711-0.0000 ( 4656 PWs) bands (ev): -49.6404 -49.6404 -26.3101 -26.3101 -25.6734 -25.6734 -25.6317 -25.6317 -4.8977 -4.8977 -3.9512 -3.9512 3.7273 3.7273 4.0329 4.0329 4.6035 4.6035 5.4021 5.4021 6.6044 6.6044 6.7964 6.7964 8.3699 8.3699 9.5129 9.5129 9.7575 9.7575 11.5726 11.5726 k = 0.3056 0.1764-0.0000 ( 4644 PWs) bands (ev): -49.6400 -49.6400 -26.3114 -26.3114 -25.6757 -25.6757 -25.6319 -25.6319 -4.8500 -4.8500 -3.9458 -3.9458 3.7555 3.7555 3.9931 3.9931 4.5407 4.5407 5.4030 5.4030 6.5790 6.5790 6.7159 6.7159 8.3566 8.3566 9.5182 9.5182 9.7811 9.7811 11.5986 11.5986 k = 0.3148 0.1818-0.0000 ( 4648 PWs) bands (ev): -49.6397 -49.6397 -26.3128 -26.3128 -25.6779 -25.6779 -25.6320 -25.6320 -4.8022 -4.8022 -3.9408 -3.9408 3.7451 3.7451 3.9876 3.9876 4.4878 4.4878 5.4031 5.4031 6.5537 6.5537 6.6374 6.6374 8.3437 8.3437 9.5228 9.5228 9.8037 9.8037 11.6225 11.6225 k = 0.3241 0.1871-0.0000 ( 4656 PWs) bands (ev): -49.6393 -49.6393 -26.3141 -26.3141 -25.6801 -25.6801 -25.6321 -25.6321 -4.7545 -4.7545 -3.9364 -3.9364 3.6957 3.6957 4.0181 4.0181 4.4437 4.4437 5.4024 5.4024 6.5199 6.5199 6.5696 6.5696 8.3313 8.3313 9.5267 9.5267 9.8251 9.8251 11.6440 11.6440 k = 0.3333 0.1925-0.0000 ( 4664 PWs) bands (ev): -49.6390 -49.6390 -26.3154 -26.3154 -25.6823 -25.6823 -25.6322 -25.6322 -4.7070 -4.7070 -3.9325 -3.9325 3.6265 3.6265 4.0662 4.0662 4.4076 4.4076 5.4009 5.4009 6.4572 6.4572 6.5330 6.5330 8.3192 8.3192 9.5301 9.5301 9.8451 9.8451 11.6633 11.6633 k = 0.3426 0.1978-0.0000 ( 4656 PWs) bands (ev): -49.6387 -49.6387 -26.3166 -26.3166 -25.6843 -25.6843 -25.6323 -25.6323 -4.6599 -4.6599 -3.9292 -3.9292 3.5495 3.5495 4.1208 4.1208 4.3787 4.3787 5.3988 5.3988 6.3808 6.3808 6.5125 6.5125 8.3076 8.3076 9.5332 9.5332 9.8638 9.8638 11.6801 11.6801 k = 0.3519 0.2031-0.0000 ( 4648 PWs) bands (ev): -49.6384 -49.6384 -26.3178 -26.3178 -25.6863 -25.6863 -25.6323 -25.6323 -4.6134 -4.6134 -3.9266 -3.9266 3.4698 3.4698 4.1762 4.1762 4.3576 4.3576 5.3960 5.3960 6.3027 6.3027 6.4964 6.4964 8.2965 8.2965 9.5358 9.5358 9.8809 9.8809 11.6945 11.6945 k = 0.3611 0.2085-0.0000 ( 4646 PWs) bands (ev): -49.6381 -49.6381 -26.3190 -26.3190 -25.6883 -25.6883 -25.6324 -25.6324 -4.5675 -4.5675 -3.9247 -3.9247 3.3901 3.3901 4.2264 4.2264 4.3476 4.3476 5.3927 5.3927 6.2247 6.2247 6.4828 6.4828 8.2859 8.2859 9.5382 9.5382 9.8964 9.8964 11.7064 11.7064 k = 0.3704 0.2138-0.0000 ( 4644 PWs) bands (ev): -49.6378 -49.6378 -26.3201 -26.3201 -25.6901 -25.6901 -25.6324 -25.6324 -4.5224 -4.5224 -3.9237 -3.9237 3.3120 3.3120 4.2581 4.2581 4.3605 4.3605 5.3890 5.3890 6.1476 6.1476 6.4711 6.4711 8.2759 8.2759 9.5404 9.5404 9.9103 9.9103 11.7159 11.7159 k = 0.3796 0.2192-0.0000 ( 4644 PWs) bands (ev): -49.6376 -49.6376 -26.3212 -26.3212 -25.6918 -25.6918 -25.6325 -25.6325 -4.4784 -4.4784 -3.9236 -3.9236 3.2364 3.2364 4.2649 4.2649 4.4017 4.4017 5.3850 5.3850 6.0717 6.0717 6.4608 6.4608 8.2664 8.2664 9.5424 9.5424 9.9226 9.9226 11.7232 11.7232 k = 0.3889 0.2245-0.0000 ( 4636 PWs) bands (ev): -49.6373 -49.6373 -26.3222 -26.3222 -25.6934 -25.6934 -25.6325 -25.6325 -4.4355 -4.4355 -3.9244 -3.9244 3.1642 3.1642 4.2611 4.2611 4.4562 4.4562 5.3808 5.3808 5.9972 5.9972 6.4520 6.4520 8.2575 8.2575 9.5443 9.5443 9.9331 9.9331 11.7287 11.7287 k = 0.3981 0.2299-0.0000 ( 4636 PWs) bands (ev): -49.6371 -49.6371 -26.3231 -26.3231 -25.6949 -25.6949 -25.6325 -25.6325 -4.3938 -4.3938 -3.9263 -3.9263 3.0960 3.0960 4.2553 4.2553 4.5145 4.5145 5.3764 5.3764 5.9243 5.9243 6.4444 6.4444 8.2492 8.2492 9.5460 9.5460 9.9420 9.9420 11.7324 11.7324 k = 0.4074 0.2352-0.0000 ( 4638 PWs) bands (ev): -49.6369 -49.6369 -26.3240 -26.3240 -25.6963 -25.6963 -25.6325 -25.6325 -4.3536 -4.3536 -3.9293 -3.9293 3.0322 3.0322 4.2498 4.2498 4.5740 4.5740 5.3721 5.3721 5.8530 5.8530 6.4378 6.4378 8.2415 8.2415 9.5477 9.5477 9.9494 9.9494 11.7349 11.7349 k = 0.4167 0.2406-0.0000 ( 4644 PWs) bands (ev): -49.6367 -49.6367 -26.3248 -26.3248 -25.6976 -25.6976 -25.6325 -25.6325 -4.3150 -4.3150 -3.9335 -3.9335 2.9734 2.9734 4.2453 4.2453 4.6334 4.6334 5.3678 5.3678 5.7835 5.7835 6.4323 6.4323 8.2345 8.2345 9.5492 9.5492 9.9553 9.9553 11.7363 11.7363 k = 0.4259 0.2459-0.0000 ( 4650 PWs) bands (ev): -49.6365 -49.6365 -26.3256 -26.3256 -25.6988 -25.6988 -25.6325 -25.6325 -4.2781 -4.2781 -3.9390 -3.9390 2.9198 2.9198 4.2418 4.2418 4.6923 4.6923 5.3638 5.3638 5.7159 5.7159 6.4276 6.4276 8.2281 8.2281 9.5506 9.5506 9.9599 9.9599 11.7370 11.7370 k = 0.4352 0.2513-0.0000 ( 4646 PWs) bands (ev): -49.6364 -49.6364 -26.3262 -26.3262 -25.6998 -25.6998 -25.6325 -25.6325 -4.2430 -4.2430 -3.9459 -3.9459 2.8718 2.8718 4.2392 4.2392 4.7504 4.7504 5.3600 5.3600 5.6504 5.6504 6.4236 6.4236 8.2225 8.2225 9.5518 9.5518 9.9633 9.9633 11.7371 11.7371 k = 0.4444 0.2566-0.0000 ( 4654 PWs) bands (ev): -49.6362 -49.6362 -26.3268 -26.3268 -25.7007 -25.7007 -25.6325 -25.6325 -4.2099 -4.2099 -3.9541 -3.9541 2.8297 2.8297 4.2375 4.2375 4.8073 4.8073 5.3565 5.3565 5.5871 5.5871 6.4204 6.4204 8.2175 8.2175 9.5529 9.5529 9.9658 9.9658 11.7368 11.7368 k = 0.4537 0.2619-0.0000 ( 4654 PWs) bands (ev): -49.6361 -49.6361 -26.3273 -26.3273 -25.7014 -25.7014 -25.6325 -25.6325 -4.1789 -4.1789 -3.9638 -3.9638 2.7936 2.7936 4.2363 4.2363 4.8626 4.8626 5.3535 5.3535 5.5265 5.5265 6.4178 6.4178 8.2133 8.2133 9.5539 9.5539 9.9674 9.9674 11.7364 11.7364 k = 0.4630 0.2673-0.0000 ( 4650 PWs) bands (ev): -49.6360 -49.6360 -26.3277 -26.3277 -25.7021 -25.7021 -25.6325 -25.6325 -4.1502 -4.1502 -3.9748 -3.9748 2.7639 2.7639 4.2357 4.2357 4.9158 4.9158 5.3509 5.3509 5.4690 5.4690 6.4157 6.4157 8.2098 8.2098 9.5547 9.5547 9.9685 9.9685 11.7359 11.7359 k = 0.4722 0.2726-0.0000 ( 4654 PWs) bands (ev): -49.6359 -49.6359 -26.3280 -26.3280 -25.7025 -25.7025 -25.6325 -25.6325 -4.1241 -4.1241 -3.9870 -3.9870 2.7405 2.7405 4.2353 4.2353 4.9655 4.9655 5.3488 5.3488 5.4160 5.4160 6.4142 6.4142 8.2071 8.2071 9.5554 9.5554 9.9691 9.9691 11.7355 11.7355 k = 0.4815 0.2780-0.0000 ( 4652 PWs) bands (ev): -49.6359 -49.6359 -26.3282 -26.3282 -25.7029 -25.7029 -25.6325 -25.6325 -4.1013 -4.1013 -3.9999 -3.9999 2.7238 2.7238 4.2352 4.2352 5.0092 5.0092 5.3469 5.3469 5.3702 5.3702 6.4131 6.4131 8.2051 8.2051 9.5559 9.5559 9.9694 9.9694 11.7351 11.7351 k = 0.4907 0.2833-0.0000 ( 4648 PWs) bands (ev): -49.6359 -49.6359 -26.3284 -26.3284 -25.7031 -25.7031 -25.6325 -25.6325 -4.0836 -4.0836 -4.0115 -4.0115 2.7137 2.7137 4.2351 4.2351 5.0415 5.0415 5.3349 5.3349 5.3476 5.3476 6.4125 6.4125 8.2040 8.2040 9.5561 9.5561 9.9695 9.9695 11.7349 11.7349 k = 0.5000 0.2887-0.0000 ( 4646 PWs) bands (ev): -49.6358 -49.6358 -26.3284 -26.3284 -25.7032 -25.7032 -25.6325 -25.6325 -4.0762 -4.0762 -4.0169 -4.0169 2.7103 2.7103 4.2351 4.2351 5.0540 5.0540 5.3224 5.3224 5.3468 5.3468 6.4123 6.4123 8.2036 8.2036 9.5562 9.5562 9.9696 9.9696 11.7348 11.7348 k = 0.5000 0.2887-0.0000 ( 4646 PWs) bands (ev): -49.6358 -49.6358 -26.3284 -26.3284 -25.7032 -25.7032 -25.6325 -25.6325 -4.0762 -4.0762 -4.0169 -4.0169 2.7103 2.7103 4.2351 4.2351 5.0540 5.0540 5.3224 5.3224 5.3468 5.3468 6.4123 6.4123 8.2036 8.2036 9.5562 9.5562 9.9696 9.9696 11.7348 11.7348 k = 0.4946 0.2980-0.0000 ( 4650 PWs) bands (ev): -49.6358 -49.6358 -26.3284 -26.3284 -25.7032 -25.7032 -25.6326 -25.6326 -4.0757 -4.0757 -4.0167 -4.0167 2.7116 2.7116 4.2344 4.2344 5.0545 5.0545 5.3032 5.3032 5.3666 5.3666 6.4038 6.4038 8.2098 8.2098 9.5564 9.5564 9.9691 9.9691 11.7340 11.7340 k = 0.4892 0.3073-0.0000 ( 4666 PWs) bands (ev): -49.6358 -49.6358 -26.3284 -26.3284 -25.7031 -25.7031 -25.6327 -25.6327 -4.0744 -4.0744 -4.0161 -4.0161 2.7152 2.7152 4.2321 4.2321 5.0560 5.0560 5.2765 5.2765 5.3955 5.3955 6.3788 6.3788 8.2282 8.2282 9.5567 9.5567 9.9675 9.9675 11.7315 11.7315 k = 0.4839 0.3166-0.0000 ( 4658 PWs) bands (ev): -49.6358 -49.6358 -26.3285 -26.3285 -25.7031 -25.7031 -25.6329 -25.6329 -4.0721 -4.0721 -4.0152 -4.0152 2.7213 2.7213 4.2283 4.2283 5.0585 5.0585 5.2502 5.2502 5.4251 5.4251 6.3384 6.3384 8.2576 8.2576 9.5573 9.5573 9.9650 9.9650 11.7275 11.7275 k = 0.4785 0.3259-0.0000 ( 4660 PWs) bands (ev): -49.6358 -49.6358 -26.3285 -26.3285 -25.7030 -25.7030 -25.6332 -25.6332 -4.0690 -4.0690 -4.0139 -4.0139 2.7298 2.7298 4.2230 4.2230 5.0619 5.0619 5.2253 5.2253 5.4548 5.4548 6.2846 6.2846 8.2963 8.2963 9.5582 9.5582 9.9615 9.9615 11.7217 11.7217 k = 0.4731 0.3352-0.0000 ( 4652 PWs) bands (ev): -49.6358 -49.6358 -26.3285 -26.3285 -25.7030 -25.7030 -25.6336 -25.6336 -4.0650 -4.0650 -4.0122 -4.0122 2.7408 2.7408 4.2161 4.2161 5.0661 5.0661 5.2021 5.2021 5.4841 5.4841 6.2192 6.2192 8.3424 8.3424 9.5595 9.5595 9.9571 9.9571 11.7142 11.7142 k = 0.4677 0.3445-0.0000 ( 4650 PWs) bands (ev): -49.6357 -49.6357 -26.3286 -26.3286 -25.7029 -25.7029 -25.6341 -25.6341 -4.0602 -4.0602 -4.0102 -4.0102 2.7541 2.7541 4.2078 4.2078 5.0708 5.0708 5.1809 5.1809 5.5126 5.5126 6.1444 6.1444 8.3941 8.3941 9.5611 9.5611 9.9518 9.9518 11.7033 11.7033 k = 0.4624 0.3539-0.0000 ( 4648 PWs) bands (ev): -49.6357 -49.6357 -26.3287 -26.3287 -25.7028 -25.7028 -25.6346 -25.6346 -4.0546 -4.0546 -4.0078 -4.0078 2.7698 2.7698 4.1979 4.1979 5.0759 5.0759 5.1620 5.1620 5.5400 5.5400 6.0621 6.0621 8.4495 8.4495 9.5632 9.5632 9.9457 9.9457 11.6563 11.6563 k = 0.4570 0.3632-0.0000 ( 4648 PWs) bands (ev): -49.6356 -49.6356 -26.3288 -26.3288 -25.7027 -25.7027 -25.6352 -25.6352 -4.0483 -4.0483 -4.0050 -4.0050 2.7879 2.7879 4.1866 4.1866 5.0810 5.0810 5.1457 5.1457 5.5661 5.5661 5.9744 5.9744 8.5073 8.5073 9.5659 9.5659 9.9388 9.9388 11.6020 11.6020 k = 0.4516 0.3725-0.0000 ( 4644 PWs) bands (ev): -49.6356 -49.6356 -26.3289 -26.3289 -25.7026 -25.7026 -25.6358 -25.6358 -4.0413 -4.0413 -4.0020 -4.0020 2.8083 2.8083 4.1739 4.1739 5.0853 5.0853 5.1321 5.1321 5.5903 5.5903 5.8831 5.8831 8.5661 8.5661 9.5693 9.5693 9.9312 9.9312 11.5455 11.5455 k = 0.4462 0.3818-0.0000 ( 4644 PWs) bands (ev): -49.6355 -49.6355 -26.3290 -26.3290 -25.7024 -25.7024 -25.6365 -25.6365 -4.0337 -4.0337 -3.9986 -3.9986 2.8310 2.8310 4.1599 4.1599 5.0881 5.0881 5.1218 5.1218 5.6119 5.6119 5.7906 5.7906 8.6248 8.6248 9.5734 9.5734 9.9231 9.9231 11.4881 11.4881 k = 0.4409 0.3911-0.0000 ( 4644 PWs) bands (ev): -49.6354 -49.6354 -26.3291 -26.3291 -25.7023 -25.7023 -25.6372 -25.6372 -4.0255 -4.0255 -3.9950 -3.9950 2.8560 2.8560 4.1447 4.1447 5.0879 5.0879 5.1149 5.1149 5.6268 5.6268 5.7028 5.7028 8.6827 8.6827 9.5783 9.5783 9.9146 9.9146 11.4305 11.4305 k = 0.4355 0.4004-0.0000 ( 4638 PWs) bands (ev): -49.6354 -49.6354 -26.3292 -26.3292 -25.7022 -25.7022 -25.6380 -25.6380 -4.0168 -4.0168 -3.9911 -3.9911 2.8832 2.8832 4.1285 4.1285 5.0843 5.0843 5.1101 5.1101 5.5915 5.5915 5.6657 5.6657 8.7390 8.7390 9.5841 9.5841 9.9058 9.9058 11.3737 11.3737 k = 0.4301 0.4097-0.0000 ( 4641 PWs) bands (ev): -49.6353 -49.6353 -26.3293 -26.3293 -25.7021 -25.7021 -25.6388 -25.6388 -4.0077 -4.0077 -3.9869 -3.9869 2.9126 2.9126 4.1114 4.1114 5.0759 5.0759 5.1054 5.1054 5.5127 5.5127 5.6762 5.6762 8.7930 8.7930 9.5910 9.5910 9.8968 9.8968 11.3183 11.3183 k = 0.4247 0.4190-0.0000 ( 4645 PWs) bands (ev): -49.6352 -49.6352 -26.3295 -26.3295 -25.7019 -25.7019 -25.6396 -25.6396 -3.9984 -3.9984 -3.9824 -3.9824 2.9442 2.9442 4.0936 4.0936 5.0573 5.0573 5.1016 5.1016 5.4411 5.4411 5.6888 5.6888 8.8443 8.8443 9.5989 9.5989 9.8879 9.8879 11.2650 11.2650 k = 0.4194 0.4284-0.0000 ( 4647 PWs) bands (ev): -49.6351 -49.6351 -26.3296 -26.3296 -25.7018 -25.7018 -25.6405 -25.6405 -3.9889 -3.9889 -3.9776 -3.9776 2.9779 2.9779 4.0753 4.0753 5.0206 5.0206 5.1008 5.1008 5.3864 5.3864 5.6997 5.6997 8.8925 8.8925 9.6079 9.6079 9.8793 9.8793 11.2143 11.2143 k = 0.4140 0.4377-0.0000 ( 4647 PWs) bands (ev): -49.6351 -49.6351 -26.3298 -26.3298 -25.7017 -25.7017 -25.6413 -25.6413 -3.9796 -3.9796 -3.9723 -3.9723 3.0136 3.0136 4.0566 4.0566 4.9633 4.9633 5.1033 5.1033 5.3517 5.3517 5.7082 5.7082 8.9372 8.9372 9.6180 9.6180 9.8710 9.8710 11.1666 11.1666 k = 0.4086 0.4470-0.0000 ( 4655 PWs) bands (ev): -49.6350 -49.6350 -26.3299 -26.3299 -25.7016 -25.7016 -25.6421 -25.6421 -3.9712 -3.9712 -3.9659 -3.9659 3.0513 3.0513 4.0379 4.0379 4.8894 4.8894 5.1087 5.1087 5.3339 5.3339 5.7141 5.7141 8.9782 8.9782 9.6293 9.6293 9.8634 9.8634 11.1224 11.1224 k = 0.4032 0.4563-0.0000 ( 4647 PWs) bands (ev): -49.6349 -49.6349 -26.3301 -26.3301 -25.7015 -25.7015 -25.6429 -25.6429 -3.9647 -3.9647 -3.9576 -3.9576 3.0910 3.0910 4.0192 4.0192 4.8053 4.8053 5.1164 5.1164 5.3271 5.3271 5.7174 5.7174 9.0152 9.0152 9.6415 9.6415 9.8566 9.8566 11.0820 11.0820 k = 0.3978 0.4656-0.0000 ( 4649 PWs) bands (ev): -49.6348 -49.6348 -26.3303 -26.3303 -25.7015 -25.7015 -25.6437 -25.6437 -3.9590 -3.9590 -3.9485 -3.9485 3.1326 3.1326 4.0008 4.0008 4.7159 4.7159 5.1263 5.1263 5.3269 5.3269 5.7182 5.7182 9.0481 9.0481 9.6548 9.6548 9.8507 9.8507 11.0457 11.0457 k = 0.3925 0.4749-0.0000 ( 4653 PWs) bands (ev): -49.6348 -49.6348 -26.3304 -26.3304 -25.7014 -25.7014 -25.6444 -25.6444 -3.9536 -3.9536 -3.9395 -3.9395 3.1759 3.1759 3.9828 3.9828 4.6244 4.6244 5.1382 5.1382 5.3303 5.3303 5.7164 5.7164 9.0768 9.0768 9.6688 9.6688 9.8458 9.8458 11.0138 11.0138 k = 0.3871 0.4842-0.0000 ( 4657 PWs) bands (ev): -49.6347 -49.6347 -26.3306 -26.3306 -25.7014 -25.7014 -25.6451 -25.6451 -3.9482 -3.9482 -3.9308 -3.9308 3.2209 3.2209 3.9654 3.9654 4.5327 4.5327 5.1519 5.1519 5.3354 5.3354 5.7123 5.7123 9.1013 9.1013 9.6834 9.6834 9.8420 9.8420 10.9866 10.9866 k = 0.3817 0.4935-0.0000 ( 4653 PWs) bands (ev): -49.6346 -49.6346 -26.3308 -26.3308 -25.7014 -25.7014 -25.6457 -25.6457 -3.9428 -3.9428 -3.9226 -3.9226 3.2676 3.2676 3.9488 3.9488 4.4422 4.4422 5.1672 5.1672 5.3412 5.3412 5.7061 5.7061 9.1218 9.1218 9.6985 9.6985 9.8393 9.8393 10.9643 10.9643 k = 0.3763 0.5029-0.0000 ( 4657 PWs) bands (ev): -49.6345 -49.6345 -26.3309 -26.3309 -25.7014 -25.7014 -25.6463 -25.6463 -3.9375 -3.9375 -3.9151 -3.9151 3.3157 3.3157 3.9331 3.9331 4.3539 4.3539 5.1839 5.1839 5.3467 5.3467 5.6980 5.6980 9.1385 9.1385 9.7137 9.7137 9.8374 9.8374 10.9471 10.9471 k = 0.3710 0.5122-0.0000 ( 4657 PWs) bands (ev): -49.6345 -49.6345 -26.3311 -26.3311 -25.7014 -25.7014 -25.6468 -25.6468 -3.9322 -3.9322 -3.9085 -3.9085 3.3652 3.3652 3.9183 3.9183 4.2684 4.2684 5.2020 5.2020 5.3515 5.3515 5.6882 5.6882 9.1517 9.1517 9.7287 9.7287 9.8362 9.8362 10.9352 10.9352 k = 0.3656 0.5215-0.0000 ( 4661 PWs) bands (ev): -49.6344 -49.6344 -26.3312 -26.3312 -25.7014 -25.7014 -25.6473 -25.6473 -3.9270 -3.9270 -3.9029 -3.9029 3.4158 3.4158 3.9047 3.9047 4.1864 4.1864 5.2210 5.2210 5.3550 5.3550 5.6774 5.6774 9.1618 9.1618 9.7433 9.7433 9.8354 9.8354 10.9287 10.9287 k = 0.3602 0.5308-0.0000 ( 4657 PWs) bands (ev): -49.6344 -49.6344 -26.3313 -26.3313 -25.7014 -25.7014 -25.6476 -25.6476 -3.9218 -3.9218 -3.8983 -3.8983 3.4672 3.4672 3.8923 3.8923 4.1085 4.1085 5.2407 5.2407 5.3569 5.3569 5.6658 5.6658 9.1692 9.1692 9.7570 9.7570 9.8347 9.8347 10.9279 10.9279 k = 0.3548 0.5401-0.0000 ( 4649 PWs) bands (ev): -49.6343 -49.6343 -26.3314 -26.3314 -25.7015 -25.7015 -25.6480 -25.6480 -3.9169 -3.9169 -3.8950 -3.8950 3.5190 3.5190 3.8811 3.8811 4.0357 4.0357 5.2607 5.2607 5.3567 5.3567 5.6542 5.6542 9.1743 9.1743 9.7696 9.7696 9.8338 9.8338 10.9327 10.9327 k = 0.3495 0.5494-0.0000 ( 4637 PWs) bands (ev): -49.6343 -49.6343 -26.3315 -26.3315 -25.7015 -25.7015 -25.6482 -25.6482 -3.9121 -3.9121 -3.8931 -3.8931 3.5701 3.5701 3.8710 3.8710 3.9692 3.9692 5.2804 5.2804 5.3543 5.3543 5.6432 5.6432 9.1777 9.1777 9.7807 9.7807 9.8326 9.8326 10.9432 10.9432 k = 0.3441 0.5587-0.0000 ( 4625 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7016 -25.7016 -25.6484 -25.6484 -3.9076 -3.9076 -3.8927 -3.8927 3.6183 3.6183 3.8615 3.8615 3.9121 3.9121 5.2992 5.2992 5.3493 5.3493 5.6339 5.6339 9.1797 9.1797 9.7898 9.7898 9.8309 9.8309 10.9592 10.9592 k = 0.3387 0.5680-0.0000 ( 4629 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7016 -25.7016 -25.6485 -25.6485 -3.9036 -3.9036 -3.8936 -3.8936 3.6575 3.6575 3.8495 3.8495 3.8736 3.8736 5.3162 5.3162 5.3416 5.3416 5.6273 5.6273 9.1807 9.1807 9.7961 9.7961 9.8292 9.8292 10.9805 10.9805 k = 0.3333 0.5774-0.0000 ( 4629 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7016 -25.7016 -25.6485 -25.6485 -3.9015 -3.9015 -3.8947 -3.8947 3.6740 3.6740 3.8399 3.8399 3.8630 3.8630 5.3284 5.3284 5.3327 5.3327 5.6249 5.6249 9.1809 9.1809 9.7984 9.7984 9.8284 9.8284 11.0049 11.0049 k = 0.3333 0.5774-0.0000 ( 4629 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7016 -25.7016 -25.6485 -25.6485 -3.9015 -3.9015 -3.8947 -3.8947 3.6740 3.6740 3.8399 3.8399 3.8630 3.8630 5.3284 5.3284 5.3327 5.3327 5.6249 5.6249 9.1809 9.1809 9.7984 9.7984 9.8284 9.8284 11.0049 11.0049 k = 0.3280 0.5680-0.0000 ( 4641 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7016 -25.7016 -25.6485 -25.6485 -3.9043 -3.9043 -3.8929 -3.8929 3.6595 3.6595 3.8435 3.8435 3.8777 3.8777 5.3163 5.3163 5.3411 5.3411 5.6277 5.6277 9.1807 9.1807 9.7961 9.7961 9.8292 9.8292 10.9791 10.9791 k = 0.3226 0.5587-0.0000 ( 4641 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7016 -25.7016 -25.6484 -25.6484 -3.9108 -3.9108 -3.8898 -3.8898 3.6288 3.6288 3.8437 3.8437 3.9195 3.9195 5.2991 5.2991 5.3469 5.3469 5.6368 5.6368 9.1801 9.1801 9.7899 9.7899 9.8309 9.8309 10.9532 10.9532 k = 0.3172 0.5494-0.0000 ( 4643 PWs) bands (ev): -49.6343 -49.6343 -26.3315 -26.3315 -25.7015 -25.7015 -25.6482 -25.6482 -3.9198 -3.9198 -3.8866 -3.8866 3.5952 3.5952 3.8435 3.8435 3.9723 3.9723 5.2783 5.2783 5.3484 5.3484 5.6523 5.6523 9.1790 9.1790 9.7811 9.7811 9.8324 9.8324 10.9295 10.9295 k = 0.3118 0.5401-0.0000 ( 4647 PWs) bands (ev): -49.6344 -49.6344 -26.3314 -26.3314 -25.7013 -25.7013 -25.6480 -25.6480 -3.9311 -3.9311 -3.8836 -3.8836 3.5638 3.5638 3.8443 3.8443 4.0295 4.0295 5.2540 5.2540 5.3463 5.3463 5.6739 5.6739 9.1774 9.1774 9.7706 9.7706 9.8332 9.8332 10.9079 10.9079 k = 0.3065 0.5308-0.0000 ( 4655 PWs) bands (ev): -49.6344 -49.6344 -26.3312 -26.3312 -25.7012 -25.7012 -25.6478 -25.6478 -3.9447 -3.9447 -3.8809 -3.8809 3.5365 3.5365 3.8464 3.8464 4.0889 4.0889 5.2263 5.2263 5.3415 5.3415 5.7007 5.7007 9.1751 9.1751 9.7594 9.7594 9.8332 9.8332 10.8884 10.8884 k = 0.3011 0.5215-0.0000 ( 4649 PWs) bands (ev): -49.6345 -49.6345 -26.3310 -26.3310 -25.7009 -25.7009 -25.6475 -25.6475 -3.9606 -3.9606 -3.8786 -3.8786 3.5141 3.5141 3.8497 3.8497 4.1496 4.1496 5.1950 5.1950 5.3354 5.3354 5.7318 5.7318 9.1717 9.1717 9.7480 9.7480 9.8322 9.8322 10.8709 10.8709 k = 0.2957 0.5122-0.0000 ( 4653 PWs) bands (ev): -49.6346 -49.6346 -26.3307 -26.3307 -25.7006 -25.7006 -25.6472 -25.6472 -3.9788 -3.9788 -3.8766 -3.8766 3.4971 3.4971 3.8544 3.8544 4.2109 4.2109 5.1604 5.1604 5.3288 5.3288 5.7665 5.7665 9.1668 9.1668 9.7373 9.7373 9.8302 9.8302 10.8552 10.8552 k = 0.2903 0.5029-0.0000 ( 4649 PWs) bands (ev): -49.6347 -49.6347 -26.3304 -26.3304 -25.7002 -25.7002 -25.6468 -25.6468 -3.9993 -3.9993 -3.8750 -3.8750 3.4857 3.4857 3.8603 3.8603 4.2725 4.2725 5.1224 5.1224 5.3226 5.3226 5.8042 5.8042 9.1601 9.1601 9.7279 9.7279 9.8274 9.8274 10.8410 10.8410 k = 0.2849 0.4935-0.0000 ( 4653 PWs) bands (ev): -49.6348 -49.6348 -26.3300 -26.3300 -25.6998 -25.6998 -25.6464 -25.6464 -4.0221 -4.0221 -3.8738 -3.8738 3.4801 3.4801 3.8673 3.8673 4.3340 4.3340 5.0812 5.0812 5.3176 5.3176 5.8444 5.8444 9.1511 9.1511 9.7204 9.7204 9.8237 9.8237 10.8283 10.8283 k = 0.2796 0.4842-0.0000 ( 4657 PWs) bands (ev): -49.6349 -49.6349 -26.3296 -26.3296 -25.6993 -25.6993 -25.6460 -25.6460 -4.0473 -4.0473 -3.8730 -3.8730 3.4804 3.4804 3.8755 3.8755 4.3953 4.3953 5.0371 5.0371 5.3142 5.3142 5.8869 5.8869 9.1395 9.1395 9.7155 9.7155 9.8193 9.8193 10.8168 10.8168 k = 0.2742 0.4749-0.0000 ( 4653 PWs) bands (ev): -49.6350 -49.6350 -26.3292 -26.3292 -25.6987 -25.6987 -25.6455 -25.6455 -4.0747 -4.0747 -3.8726 -3.8726 3.4865 3.4865 3.8846 3.8846 4.4560 4.4560 4.9902 4.9902 5.3129 5.3129 5.9313 5.9313 9.1252 9.1252 9.7133 9.7133 9.8141 9.8141 10.8064 10.8064 k = 0.2688 0.4656-0.0000 ( 4641 PWs) bands (ev): -49.6352 -49.6352 -26.3286 -26.3286 -25.6980 -25.6980 -25.6451 -25.6451 -4.1043 -4.1043 -3.8727 -3.8727 3.4986 3.4986 3.8948 3.8948 4.5156 4.5156 4.9410 4.9410 5.3141 5.3141 5.9775 5.9775 9.1081 9.1081 9.7140 9.7140 9.8083 9.8083 10.7969 10.7969 k = 0.2634 0.4563-0.0000 ( 4645 PWs) bands (ev): -49.6354 -49.6354 -26.3280 -26.3280 -25.6972 -25.6972 -25.6446 -25.6446 -4.1361 -4.1361 -3.8732 -3.8732 3.5164 3.5164 3.9058 3.9058 4.5736 4.5736 4.8901 4.8901 5.3181 5.3181 6.0253 6.0253 9.0883 9.0883 9.7175 9.7175 9.8019 9.8019 10.7882 10.7882 k = 0.2581 0.4470-0.0000 ( 4647 PWs) bands (ev): -49.6355 -49.6355 -26.3274 -26.3274 -25.6963 -25.6963 -25.6441 -25.6441 -4.1699 -4.1699 -3.8742 -3.8742 3.5400 3.5400 3.9177 3.9177 4.6283 4.6283 4.8393 4.8393 5.3252 5.3252 6.0747 6.0747 9.0664 9.0664 9.7234 9.7234 9.7949 9.7949 10.7803 10.7803 k = 0.2527 0.4377-0.0000 ( 4655 PWs) bands (ev): -49.6357 -49.6357 -26.3267 -26.3267 -25.6953 -25.6953 -25.6436 -25.6436 -4.2057 -4.2057 -3.8756 -3.8756 3.5693 3.5693 3.9304 3.9304 4.6728 4.6728 4.7952 4.7952 5.3355 5.3355 6.1255 6.1255 9.0425 9.0425 9.7310 9.7310 9.7878 9.7878 10.7731 10.7731 k = 0.2473 0.4284-0.0000 ( 4651 PWs) bands (ev): -49.6360 -49.6360 -26.3259 -26.3259 -25.6943 -25.6943 -25.6431 -25.6431 -4.2432 -4.2432 -3.8774 -3.8774 3.6042 3.6042 3.9439 3.9439 4.6773 4.6773 4.7880 4.7880 5.3492 5.3492 6.1776 6.1776 9.0173 9.0173 9.7391 9.7391 9.7810 9.7810 10.7667 10.7667 k = 0.2419 0.4190-0.0000 ( 4647 PWs) bands (ev): -49.6362 -49.6362 -26.3251 -26.3251 -25.6931 -25.6931 -25.6426 -25.6426 -4.2825 -4.2825 -3.8797 -3.8797 3.6445 3.6445 3.9581 3.9581 4.6339 4.6339 4.8255 4.8255 5.3664 5.3664 6.2310 6.2310 8.9911 8.9911 9.7450 9.7450 9.7768 9.7768 10.7611 10.7611 k = 0.2366 0.4097-0.0000 ( 4647 PWs) bands (ev): -49.6364 -49.6364 -26.3242 -26.3242 -25.6919 -25.6919 -25.6421 -25.6421 -4.3234 -4.3234 -3.8824 -3.8824 3.6902 3.6902 3.9729 3.9729 4.5767 4.5767 4.8737 4.8737 5.3873 5.3873 6.2856 6.2856 8.9645 8.9645 9.7444 9.7444 9.7790 9.7790 10.7565 10.7565 k = 0.2312 0.4004-0.0000 ( 4643 PWs) bands (ev): -49.6367 -49.6367 -26.3233 -26.3233 -25.6905 -25.6905 -25.6415 -25.6415 -4.3658 -4.3658 -3.8855 -3.8855 3.7410 3.7410 3.9885 3.9885 4.5152 4.5152 4.9230 4.9230 5.4119 5.4119 6.3414 6.3414 8.9379 8.9379 9.7374 9.7374 9.7867 9.7867 10.7531 10.7531 k = 0.2258 0.3911-0.0000 ( 4641 PWs) bands (ev): -49.6370 -49.6370 -26.3223 -26.3223 -25.6891 -25.6891 -25.6410 -25.6410 -4.4094 -4.4094 -3.8890 -3.8890 3.7968 3.7968 4.0049 4.0049 4.4515 4.4515 4.9715 4.9715 5.4401 5.4401 6.3982 6.3982 8.9116 8.9116 9.7273 9.7273 9.7962 9.7962 10.7510 10.7510 k = 0.2204 0.3818-0.0000 ( 4637 PWs) bands (ev): -49.6372 -49.6372 -26.3213 -26.3213 -25.6876 -25.6876 -25.6405 -25.6405 -4.4543 -4.4543 -3.8930 -3.8930 3.8573 3.8573 4.0220 4.0220 4.3866 4.3866 5.0183 5.0183 5.4720 5.4720 6.4561 6.4561 8.8861 8.8861 9.7155 9.7155 9.8054 9.8054 10.7504 10.7504 k = 0.2151 0.3725-0.0000 ( 4633 PWs) bands (ev): -49.6375 -49.6375 -26.3202 -26.3202 -25.6860 -25.6860 -25.6400 -25.6400 -4.5001 -4.5001 -3.8973 -3.8973 3.9224 3.9224 4.0399 4.0399 4.3208 4.3208 5.0632 5.0632 5.5076 5.5076 6.5148 6.5148 8.8615 8.8615 9.7026 9.7026 9.8133 9.8133 10.7517 10.7517 k = 0.2097 0.3632-0.0000 ( 4639 PWs) bands (ev): -49.6378 -49.6378 -26.3191 -26.3191 -25.6843 -25.6843 -25.6395 -25.6395 -4.5468 -4.5468 -3.9020 -3.9020 3.9916 3.9916 4.0588 4.0588 4.2546 4.2546 5.1059 5.1059 5.5467 5.5467 6.5745 6.5745 8.8383 8.8383 9.6886 9.6886 9.8194 9.8194 10.7550 10.7550 k = 0.2043 0.3539-0.0000 ( 4631 PWs) bands (ev): -49.6382 -49.6382 -26.3179 -26.3179 -25.6826 -25.6826 -25.6389 -25.6389 -4.5942 -4.5942 -3.9071 -3.9071 4.0618 4.0618 4.0809 4.0809 4.1890 4.1890 5.1462 5.1462 5.5893 5.5893 6.6349 6.6349 8.8165 8.8165 9.6738 9.6738 9.8232 9.8232 10.7606 10.7606 k = 0.1989 0.3445-0.0000 ( 4637 PWs) bands (ev): -49.6385 -49.6385 -26.3167 -26.3167 -25.6807 -25.6807 -25.6384 -25.6384 -4.6422 -4.6422 -3.9124 -3.9124 4.0899 4.0899 4.1225 4.1225 4.1506 4.1506 5.1842 5.1842 5.6352 5.6352 6.6960 6.6960 8.7963 8.7963 9.6581 9.6581 9.8243 9.8243 10.7685 10.7685 k = 0.1935 0.3352-0.0000 ( 4633 PWs) bands (ev): -49.6388 -49.6388 -26.3154 -26.3154 -25.6788 -25.6788 -25.6379 -25.6379 -4.6906 -4.6906 -3.9181 -3.9181 4.0479 4.0479 4.1234 4.1234 4.2278 4.2278 5.2198 5.2198 5.6844 5.6844 6.7577 6.7577 8.7779 8.7779 9.6416 9.6416 9.8225 9.8225 10.7790 10.7790 k = 0.1882 0.3259-0.0000 ( 4629 PWs) bands (ev): -49.6392 -49.6392 -26.3141 -26.3141 -25.6769 -25.6769 -25.6374 -25.6374 -4.7393 -4.7393 -3.9241 -3.9241 3.9829 3.9829 4.1447 4.1447 4.3123 4.3123 5.2530 5.2530 5.7367 5.7367 6.8199 6.8199 8.7613 8.7613 9.6242 9.6242 9.8178 9.8178 10.7920 10.7920 k = 0.1828 0.3166-0.0000 ( 4641 PWs) bands (ev): -49.6395 -49.6395 -26.3128 -26.3128 -25.6749 -25.6749 -25.6369 -25.6369 -4.7882 -4.7882 -3.9304 -3.9304 3.9168 3.9168 4.1682 4.1682 4.4002 4.4002 5.2839 5.2839 5.7920 5.7920 6.8825 6.8825 8.7465 8.7465 9.6060 9.6060 9.8101 9.8101 10.8075 10.8075 k = 0.1774 0.3073-0.0000 ( 4639 PWs) bands (ev): -49.6399 -49.6399 -26.3115 -26.3115 -25.6728 -25.6728 -25.6364 -25.6364 -4.8370 -4.8370 -3.9369 -3.9369 3.8510 3.8510 4.1931 4.1931 4.4908 4.4908 5.3129 5.3129 5.8500 5.8500 6.9453 6.9453 8.7337 8.7337 9.5869 9.5869 9.7995 9.7995 10.8255 10.8255 k = 0.1720 0.2980-0.0000 ( 4631 PWs) bands (ev): -49.6402 -49.6402 -26.3101 -26.3101 -25.6707 -25.6707 -25.6358 -25.6358 -4.8857 -4.8857 -3.9436 -3.9436 3.7857 3.7857 4.2193 4.2193 4.5836 4.5836 5.3402 5.3402 5.9107 5.9107 7.0083 7.0083 8.7227 8.7227 9.5670 9.5670 9.7860 9.7860 10.8458 10.8458 k = 0.1667 0.2887-0.0000 ( 4619 PWs) bands (ev): -49.6406 -49.6406 -26.3088 -26.3088 -25.6686 -25.6686 -25.6353 -25.6353 -4.9341 -4.9341 -3.9506 -3.9506 3.7211 3.7211 4.2468 4.2468 4.6778 4.6778 5.3665 5.3665 5.9738 5.9738 7.0711 7.0711 8.7135 8.7135 9.5464 9.5464 9.7698 9.7698 10.8683 10.8683 k = 0.1613 0.2794-0.0000 ( 4623 PWs) bands (ev): -49.6410 -49.6410 -26.3074 -26.3074 -25.6664 -25.6664 -25.6347 -25.6347 -4.9822 -4.9822 -3.9577 -3.9577 3.6575 3.6575 4.2756 4.2756 4.7723 4.7723 5.3926 5.3926 6.0393 6.0393 7.1337 7.1337 8.7060 8.7060 9.5249 9.5249 9.7512 9.7512 10.8927 10.8927 k = 0.1559 0.2701-0.0000 ( 4619 PWs) bands (ev): -49.6414 -49.6414 -26.3060 -26.3060 -25.6643 -25.6643 -25.6342 -25.6342 -5.0298 -5.0298 -3.9649 -3.9649 3.5949 3.5949 4.3056 4.3056 4.8658 4.8658 5.4199 5.4199 6.1068 6.1068 7.1959 7.1959 8.7002 8.7002 9.5025 9.5025 9.7303 9.7303 10.9188 10.9188 k = 0.1505 0.2607-0.0000 ( 4617 PWs) bands (ev): -49.6417 -49.6417 -26.3046 -26.3046 -25.6622 -25.6622 -25.6336 -25.6336 -5.0767 -5.0767 -3.9722 -3.9722 3.5334 3.5334 4.3370 4.3370 4.9561 4.9561 5.4505 5.4505 6.1763 6.1763 7.2575 7.2575 8.6959 8.6959 9.4794 9.4794 9.7074 9.7074 10.9464 10.9464 k = 0.1452 0.2514-0.0000 ( 4613 PWs) bands (ev): -49.6421 -49.6421 -26.3033 -26.3033 -25.6600 -25.6600 -25.6329 -25.6329 -5.1229 -5.1229 -3.9796 -3.9796 3.4732 3.4732 4.3696 4.3696 5.0398 5.0398 5.4876 5.4876 6.2475 6.2475 7.3182 7.3182 8.6929 8.6929 9.4554 9.4554 9.6827 9.6827 10.9751 10.9751 k = 0.1398 0.2421-0.0000 ( 4609 PWs) bands (ev): -49.6425 -49.6425 -26.3019 -26.3019 -25.6580 -25.6580 -25.6323 -25.6323 -5.1683 -5.1683 -3.9871 -3.9871 3.4144 3.4144 4.4034 4.4034 5.1129 5.1129 5.5352 5.5352 6.3203 6.3203 7.3777 7.3777 8.6911 8.6911 9.4307 9.4307 9.6563 9.6563 11.0048 11.0048 k = 0.1344 0.2328-0.0000 ( 4613 PWs) bands (ev): -49.6429 -49.6429 -26.3005 -26.3005 -25.6559 -25.6559 -25.6315 -25.6315 -5.2128 -5.2128 -3.9945 -3.9945 3.3570 3.3570 4.4383 4.4383 5.1719 5.1719 5.5970 5.5970 6.3945 6.3945 7.4358 7.4358 8.6904 8.6904 9.4050 9.4050 9.6286 9.6286 11.0352 11.0352 k = 0.1290 0.2235-0.0000 ( 4623 PWs) bands (ev): -49.6432 -49.6432 -26.2992 -26.2992 -25.6540 -25.6540 -25.6307 -25.6307 -5.2562 -5.2562 -4.0020 -4.0020 3.3012 3.3012 4.4744 4.4744 5.2153 5.2153 5.6741 5.6741 6.4699 6.4699 7.4922 7.4922 8.6906 8.6906 9.3785 9.3785 9.5995 9.5995 11.0661 11.0661 k = 0.1237 0.2142-0.0000 ( 4631 PWs) bands (ev): -49.6436 -49.6436 -26.2979 -26.2979 -25.6522 -25.6522 -25.6299 -25.6299 -5.2985 -5.2985 -4.0094 -4.0094 3.2471 3.2471 4.5115 4.5115 5.2450 5.2450 5.7647 5.7647 6.5464 6.5464 7.5466 7.5466 8.6915 8.6915 9.3510 9.3510 9.5694 9.5694 11.0972 11.0972 k = 0.1183 0.2049-0.0000 ( 4639 PWs) bands (ev): -49.6440 -49.6440 -26.2966 -26.2966 -25.6504 -25.6504 -25.6289 -25.6289 -5.3396 -5.3396 -4.0168 -4.0168 3.1947 3.1947 4.5496 4.5496 5.2643 5.2643 5.8656 5.8656 6.6237 6.6237 7.5987 7.5987 8.6931 8.6931 9.3226 9.3226 9.5383 9.5383 11.1282 11.1282 k = 0.1129 0.1956-0.0000 ( 4635 PWs) bands (ev): -49.6443 -49.6443 -26.2954 -26.2954 -25.6488 -25.6488 -25.6278 -25.6278 -5.3794 -5.3794 -4.0241 -4.0241 3.1441 3.1441 4.5884 4.5884 5.2761 5.2761 5.9737 5.9737 6.7017 6.7017 7.6481 7.6481 8.6950 8.6950 9.2932 9.2932 9.5063 9.5063 11.1589 11.1589 k = 0.1075 0.1862-0.0000 ( 4639 PWs) bands (ev): -49.6447 -49.6447 -26.2941 -26.2941 -25.6474 -25.6474 -25.6267 -25.6267 -5.4178 -5.4178 -4.0312 -4.0312 3.0954 3.0954 4.6280 4.6280 5.2827 5.2827 6.0868 6.0868 6.7802 6.7802 7.6945 7.6945 8.6973 8.6973 9.2627 9.2627 9.4734 9.4734 11.1891 11.1891 k = 0.1022 0.1769-0.0000 ( 4623 PWs) bands (ev): -49.6450 -49.6450 -26.2930 -26.2930 -25.6461 -25.6461 -25.6254 -25.6254 -5.4548 -5.4548 -4.0382 -4.0382 3.0487 3.0487 4.6681 4.6681 5.2855 5.2855 6.2032 6.2032 6.8591 6.8591 7.7377 7.7377 8.6997 8.6997 9.2311 9.2311 9.4399 9.4399 11.2186 11.2186 k = 0.0968 0.1676-0.0000 ( 4615 PWs) bands (ev): -49.6453 -49.6453 -26.2918 -26.2918 -25.6450 -25.6450 -25.6241 -25.6241 -5.4903 -5.4903 -4.0450 -4.0450 3.0040 3.0040 4.7085 4.7085 5.2855 5.2855 6.3219 6.3219 6.9381 6.9381 7.7773 7.7773 8.7021 8.7021 9.1983 9.1983 9.4057 9.4057 11.2471 11.2471 k = 0.0914 0.1583-0.0000 ( 4615 PWs) bands (ev): -49.6456 -49.6456 -26.2907 -26.2907 -25.6439 -25.6439 -25.6227 -25.6227 -5.5243 -5.5243 -4.0516 -4.0516 2.9613 2.9613 4.7492 4.7492 5.2836 5.2836 6.4420 6.4420 7.0170 7.0170 7.8132 7.8132 8.7043 8.7043 9.1641 9.1641 9.3709 9.3709 11.2741 11.2742 k = 0.0860 0.1490-0.0000 ( 4617 PWs) bands (ev): -49.6459 -49.6459 -26.2897 -26.2897 -25.6431 -25.6431 -25.6213 -25.6213 -5.5566 -5.5566 -4.0580 -4.0580 2.9209 2.9209 4.7898 4.7898 5.2801 5.2801 6.5628 6.5628 7.0958 7.0958 7.8451 7.8451 8.7063 8.7063 9.1286 9.1286 9.3355 9.3355 11.2883 11.2883 k = 0.0806 0.1397-0.0000 ( 4613 PWs) bands (ev): -49.6462 -49.6462 -26.2887 -26.2887 -25.6423 -25.6423 -25.6198 -25.6198 -5.5872 -5.5872 -4.0641 -4.0641 2.8826 2.8826 4.8302 4.8302 5.2756 5.2756 6.6838 6.6838 7.1743 7.1743 7.8729 7.8729 8.7078 8.7078 9.0917 9.0917 9.2996 9.2996 11.2776 11.2776 k = 0.0753 0.1304-0.0000 ( 4613 PWs) bands (ev): -49.6465 -49.6465 -26.2877 -26.2877 -25.6417 -25.6417 -25.6183 -25.6183 -5.6161 -5.6161 -4.0699 -4.0699 2.8465 2.8465 4.8701 4.8701 5.2704 5.2704 6.8045 6.8045 7.2522 7.2522 7.8967 7.8967 8.7087 8.7087 9.0533 9.0533 9.2631 9.2631 11.2718 11.2718 k = 0.0699 0.1211-0.0000 ( 4609 PWs) bands (ev): -49.6468 -49.6468 -26.2868 -26.2868 -25.6411 -25.6411 -25.6168 -25.6168 -5.6432 -5.6432 -4.0754 -4.0754 2.8127 2.8127 4.9092 4.9092 5.2647 5.2647 6.9242 6.9242 7.3294 7.3294 7.9165 7.9165 8.7087 8.7087 9.0135 9.0135 9.2262 9.2262 11.2718 11.2718 k = 0.0645 0.1117-0.0000 ( 4601 PWs) bands (ev): -49.6470 -49.6470 -26.2860 -26.2860 -25.6406 -25.6406 -25.6154 -25.6154 -5.6685 -5.6685 -4.0807 -4.0807 2.7813 2.7813 4.9473 4.9473 5.2587 5.2587 7.0426 7.0426 7.4057 7.4057 7.9325 7.9325 8.7077 8.7077 8.9722 8.9722 9.1890 9.1890 11.2774 11.2774 k = 0.0591 0.1024-0.0000 ( 4609 PWs) bands (ev): -49.6473 -49.6473 -26.2852 -26.2852 -25.6402 -25.6402 -25.6140 -25.6140 -5.6919 -5.6919 -4.0855 -4.0855 2.7523 2.7523 4.9840 4.9840 5.2527 5.2527 7.1592 7.1592 7.4810 7.4810 7.9450 7.9450 8.7052 8.7052 8.9295 8.9295 9.1517 9.1517 11.2883 11.2883 k = 0.0538 0.0931-0.0000 ( 4615 PWs) bands (ev): -49.6475 -49.6475 -26.2845 -26.2845 -25.6399 -25.6399 -25.6127 -25.6127 -5.7134 -5.7134 -4.0900 -4.0900 2.7256 2.7256 5.0191 5.0191 5.2468 5.2468 7.2733 7.2733 7.5550 7.5550 7.9543 7.9543 8.7008 8.7008 8.8855 8.8855 9.1145 9.1145 11.3038 11.3038 k = 0.0484 0.0838-0.0000 ( 4603 PWs) bands (ev): -49.6477 -49.6477 -26.2839 -26.2839 -25.6396 -25.6396 -25.6115 -25.6115 -5.7329 -5.7329 -4.0942 -4.0942 2.7014 2.7014 5.0521 5.0521 5.2411 5.2411 7.3844 7.3844 7.6275 7.6275 7.9610 7.9610 8.6940 8.6940 8.8403 8.8403 9.0780 9.0780 11.3233 11.3233 k = 0.0430 0.0745-0.0000 ( 4599 PWs) bands (ev): -49.6478 -49.6478 -26.2833 -26.2833 -25.6394 -25.6394 -25.6103 -25.6103 -5.7505 -5.7505 -4.0979 -4.0979 2.6797 2.6797 5.0828 5.0828 5.2358 5.2358 7.4918 7.4918 7.6983 7.6983 7.9655 7.9655 8.6840 8.6840 8.7942 8.7942 9.0429 9.0429 11.3456 11.3456 k = 0.0376 0.0652-0.0000 ( 4597 PWs) bands (ev): -49.6480 -49.6480 -26.2828 -26.2828 -25.6391 -25.6391 -25.6093 -25.6093 -5.7661 -5.7661 -4.1012 -4.1012 2.6604 2.6604 5.1108 5.1108 5.2310 5.2310 7.5945 7.5945 7.7671 7.7671 7.9687 7.9687 8.6699 8.6699 8.7476 8.7476 9.0100 9.0100 11.3698 11.3698 k = 0.0323 0.0559-0.0000 ( 4601 PWs) bands (ev): -49.6481 -49.6481 -26.2823 -26.2823 -25.6390 -25.6390 -25.6084 -25.6084 -5.7796 -5.7796 -4.1041 -4.1041 2.6437 2.6437 5.1356 5.1356 5.2269 5.2269 7.6911 7.6911 7.8332 7.8332 7.9717 7.9717 8.6508 8.6508 8.7008 8.7008 8.9805 8.9805 11.3944 11.3944 k = 0.0269 0.0466-0.0000 ( 4597 PWs) bands (ev): -49.6483 -49.6483 -26.2819 -26.2819 -25.6388 -25.6388 -25.6076 -25.6076 -5.7911 -5.7911 -4.1066 -4.1066 2.6295 2.6295 5.1569 5.1569 5.2237 5.2237 7.7790 7.7790 7.8959 7.8959 7.9766 7.9766 8.6262 8.6262 8.6547 8.6547 8.9552 8.9552 11.4181 11.4181 k = 0.0215 0.0372-0.0000 ( 4601 PWs) bands (ev): -49.6484 -49.6484 -26.2816 -26.2816 -25.6387 -25.6387 -25.6070 -25.6070 -5.8006 -5.8006 -4.1087 -4.1087 2.6179 2.6179 5.1741 5.1741 5.2216 5.2216 7.8528 7.8528 7.9522 7.9522 7.9899 7.9899 8.5963 8.5963 8.6105 8.6105 8.9349 8.9349 11.4394 11.4394 k = 0.0161 0.0279-0.0000 ( 4603 PWs) bands (ev): -49.6484 -49.6484 -26.2814 -26.2814 -25.6386 -25.6386 -25.6065 -25.6065 -5.8079 -5.8079 -4.1103 -4.1103 2.6088 2.6088 5.1867 5.1867 5.2210 5.2210 7.9016 7.9016 7.9945 7.9945 8.0261 8.0261 8.5629 8.5629 8.5699 8.5699 8.9197 8.9197 11.4565 11.4566 k = 0.0108 0.0186-0.0000 ( 4601 PWs) bands (ev): -49.6485 -49.6485 -26.2812 -26.2812 -25.6386 -25.6386 -25.6061 -25.6061 -5.8132 -5.8132 -4.1114 -4.1114 2.6024 2.6024 5.1943 5.1943 5.2221 5.2221 7.9227 7.9227 8.0317 8.0317 8.0727 8.0727 8.5310 8.5310 8.5345 8.5345 8.9093 8.9093 11.4682 11.4682 k = 0.0054 0.0093-0.0000 ( 4601 PWs) bands (ev): -49.6485 -49.6485 -26.2811 -26.2811 -25.6385 -25.6385 -25.6059 -25.6059 -5.8163 -5.8163 -4.1121 -4.1121 2.5985 2.5985 5.1978 5.1978 5.2238 5.2238 7.9298 7.9298 8.0601 8.0601 8.1092 8.1092 8.5074 8.5074 8.5084 8.5084 8.9034 8.9034 11.4743 11.4743 k = 0.0000 0.0000 0.0000 ( 4597 PWs) bands (ev): -49.6485 -49.6485 -26.2811 -26.2811 -25.6385 -25.6385 -25.6058 -25.6058 -5.8174 -5.8174 -4.1123 -4.1123 2.5972 2.5972 5.1988 5.1988 5.2246 5.2246 7.9315 7.9315 8.0706 8.0706 8.1232 8.1232 8.4974 8.4974 8.4996 8.4996 8.9014 8.9014 11.4761 11.4761 k = 0.0000 0.0000 0.0000 ( 4597 PWs) bands (ev): -49.6485 -49.6485 -26.2811 -26.2811 -25.6385 -25.6385 -25.6058 -25.6058 -5.8174 -5.8174 -4.1123 -4.1123 2.5972 2.5972 5.1988 5.1988 5.2246 5.2246 7.9315 7.9315 8.0706 8.0706 8.1232 8.1232 8.4974 8.4974 8.4996 8.4996 8.9014 8.9014 11.4761 11.4762 k = 0.0000 0.0000 0.0107 ( 4603 PWs) bands (ev): -49.6485 -49.6485 -26.2811 -26.2811 -25.6385 -25.6385 -25.6058 -25.6058 -5.8166 -5.8166 -4.1139 -4.1139 2.6004 2.6004 5.1989 5.1989 5.2248 5.2248 7.9229 7.9229 8.0683 8.0683 8.1226 8.1226 8.4974 8.4974 8.4996 8.4996 8.9075 8.9075 11.4771 11.4771 k = 0.0000 0.0000 0.0213 ( 4603 PWs) bands (ev): -49.6485 -49.6485 -26.2811 -26.2811 -25.6385 -25.6385 -25.6058 -25.6058 -5.8141 -5.8141 -4.1185 -4.1185 2.6098 2.6098 5.1993 5.1993 5.2252 5.2252 7.8970 7.8970 8.0625 8.0625 8.1208 8.1208 8.4973 8.4973 8.4994 8.4994 8.9248 8.9248 11.4799 11.4799 k = 0.0000 0.0000 0.0320 ( 4603 PWs) bands (ev): -49.6485 -49.6485 -26.2811 -26.2811 -25.6385 -25.6385 -25.6058 -25.6058 -5.8101 -5.8101 -4.1262 -4.1262 2.6256 2.6256 5.2000 5.2000 5.2258 5.2258 7.8539 7.8539 8.0552 8.0552 8.1179 8.1179 8.4971 8.4971 8.4992 8.4992 8.9513 8.9513 11.4845 11.4845 k = 0.0000 0.0000 0.0426 ( 4609 PWs) bands (ev): -49.6485 -49.6485 -26.2811 -26.2811 -25.6385 -25.6385 -25.6058 -25.6058 -5.8045 -5.8045 -4.1368 -4.1368 2.6476 2.6476 5.2009 5.2009 5.2267 5.2267 7.7953 7.7953 8.0477 8.0477 8.1139 8.1139 8.4969 8.4969 8.4989 8.4989 8.9844 8.9844 11.4909 11.4909 k = 0.0000 0.0000 0.0533 ( 4609 PWs) bands (ev): -49.6485 -49.6485 -26.2811 -26.2811 -25.6385 -25.6385 -25.6058 -25.6058 -5.7973 -5.7973 -4.1503 -4.1503 2.6756 2.6756 5.2021 5.2021 5.2279 5.2279 7.7237 7.7237 8.0401 8.0401 8.1088 8.1088 8.4965 8.4965 8.4984 8.4984 9.0217 9.0217 11.4990 11.4990 k = 0.0000 0.0000 0.0640 ( 4609 PWs) bands (ev): -49.6485 -49.6485 -26.2811 -26.2811 -25.6385 -25.6385 -25.6058 -25.6058 -5.7886 -5.7886 -4.1665 -4.1665 2.7096 2.7096 5.2035 5.2035 5.2293 5.2293 7.6416 7.6416 8.0323 8.0323 8.1028 8.1028 8.4961 8.4961 8.4979 8.4979 9.0611 9.0611 11.5087 11.5087 k = 0.0000 0.0000 0.0746 ( 4621 PWs) bands (ev): -49.6485 -49.6485 -26.2811 -26.2811 -25.6385 -25.6385 -25.6058 -25.6058 -5.7784 -5.7784 -4.1854 -4.1854 2.7493 2.7493 5.2051 5.2051 5.2309 5.2309 7.5511 7.5511 8.0243 8.0243 8.0959 8.0959 8.4955 8.4955 8.4973 8.4973 9.1011 9.1011 11.5199 11.5199 k = 0.0000 0.0000 0.0853 ( 4609 PWs) bands (ev): -49.6485 -49.6485 -26.2811 -26.2811 -25.6385 -25.6385 -25.6058 -25.6058 -5.7667 -5.7667 -4.2067 -4.2067 2.7947 2.7947 5.2069 5.2069 5.2327 5.2327 7.4538 7.4538 8.0158 8.0158 8.0882 8.0882 8.4949 8.4949 8.4966 8.4966 9.1407 9.1407 11.5324 11.5324 k = 0.0000 0.0000 0.0959 ( 4609 PWs) bands (ev): -49.6485 -49.6485 -26.2811 -26.2811 -25.6385 -25.6385 -25.6058 -25.6058 -5.7535 -5.7535 -4.2302 -4.2302 2.8454 2.8454 5.2090 5.2090 5.2347 5.2347 7.3510 7.3510 8.0068 8.0068 8.0799 8.0799 8.4942 8.4942 8.4959 8.4959 9.1790 9.1790 11.5461 11.5461 k = 0.0000 0.0000 0.1066 ( 4603 PWs) bands (ev): -49.6485 -49.6485 -26.2811 -26.2811 -25.6385 -25.6385 -25.6058 -25.6058 -5.7391 -5.7391 -4.2557 -4.2557 2.9012 2.9012 5.2111 5.2111 5.2368 5.2368 7.2439 7.2439 7.9975 7.9975 8.0709 8.0709 8.4934 8.4934 8.4950 8.4950 9.2157 9.2157 11.5608 11.5608 k = 0.0000 0.0000 0.1172 ( 4603 PWs) bands (ev): -49.6485 -49.6485 -26.2811 -26.2811 -25.6386 -25.6386 -25.6058 -25.6058 -5.7233 -5.7233 -4.2831 -4.2831 2.9618 2.9618 5.2134 5.2134 5.2390 5.2390 7.1331 7.1331 7.9879 7.9879 8.0616 8.0616 8.4925 8.4925 8.4941 8.4941 9.2503 9.2503 11.5763 11.5763 k = 0.0000 0.0000 0.1279 ( 4609 PWs) bands (ev): -49.6485 -49.6485 -26.2811 -26.2811 -25.6386 -25.6386 -25.6058 -25.6058 -5.7063 -5.7063 -4.3120 -4.3120 3.0270 3.0270 5.2158 5.2158 5.2414 5.2414 7.0195 7.0195 7.9780 7.9780 8.0519 8.0519 8.4916 8.4916 8.4932 8.4932 9.2826 9.2826 11.5924 11.5924 k = 0.0000 0.0000 0.1386 ( 4621 PWs) bands (ev): -49.6485 -49.6485 -26.2811 -26.2811 -25.6386 -25.6386 -25.6058 -25.6058 -5.6883 -5.6883 -4.3423 -4.3423 3.0964 3.0964 5.2182 5.2182 5.2438 5.2438 6.9038 6.9038 7.9680 7.9680 8.0421 8.0421 8.4906 8.4906 8.4921 8.4921 9.3127 9.3127 11.6090 11.6090 k = 0.0000 0.0000 0.1492 ( 4627 PWs) bands (ev): -49.6485 -49.6485 -26.2811 -26.2811 -25.6386 -25.6386 -25.6058 -25.6058 -5.6692 -5.6692 -4.3736 -4.3736 3.1696 3.1696 5.2207 5.2207 5.2462 5.2462 6.7865 6.7865 7.9580 7.9580 8.0322 8.0322 8.4896 8.4896 8.4911 8.4911 9.3404 9.3404 11.6258 11.6258 k = 0.0000 0.0000 0.1599 ( 4627 PWs) bands (ev): -49.6485 -49.6485 -26.2811 -26.2811 -25.6386 -25.6386 -25.6058 -25.6058 -5.6493 -5.6493 -4.4056 -4.4056 3.2462 3.2462 5.2232 5.2232 5.2487 5.2487 6.6684 6.6684 7.9481 7.9481 8.0223 8.0223 8.4886 8.4886 8.4900 8.4900 9.3657 9.3657 11.6427 11.6427 k = 0.0000 0.0000 0.1705 ( 4627 PWs) bands (ev): -49.6485 -49.6485 -26.2811 -26.2811 -25.6386 -25.6386 -25.6058 -25.6058 -5.6286 -5.6286 -4.4381 -4.4381 3.3259 3.3259 5.2257 5.2257 5.2511 5.2511 6.5499 6.5499 7.9384 7.9384 8.0126 8.0126 8.4875 8.4875 8.4890 8.4890 9.3888 9.3888 11.6593 11.6593 k = 0.0000 0.0000 0.1812 ( 4627 PWs) bands (ev): -49.6485 -49.6485 -26.2811 -26.2811 -25.6386 -25.6386 -25.6058 -25.6058 -5.6075 -5.6075 -4.4707 -4.4707 3.4080 3.4080 5.2282 5.2282 5.2535 5.2535 6.4317 6.4317 7.9290 7.9290 8.0033 8.0033 8.4865 8.4865 8.4879 8.4879 9.4096 9.4096 11.6755 11.6755 k = 0.0000 0.0000 0.1919 ( 4614 PWs) bands (ev): -49.6485 -49.6485 -26.2811 -26.2811 -25.6386 -25.6386 -25.6058 -25.6058 -5.5861 -5.5861 -4.5031 -4.5031 3.4920 3.4920 5.2305 5.2305 5.2558 5.2558 6.3146 6.3146 7.9201 7.9201 7.9943 7.9943 8.4855 8.4855 8.4869 8.4869 9.4283 9.4283 11.6911 11.6911 k = 0.0000 0.0000 0.2025 ( 4614 PWs) bands (ev): -49.6485 -49.6485 -26.2811 -26.2811 -25.6386 -25.6386 -25.6058 -25.6058 -5.5647 -5.5647 -4.5348 -4.5348 3.5770 3.5770 5.2328 5.2328 5.2580 5.2580 6.1995 6.1995 7.9116 7.9116 7.9859 7.9859 8.4846 8.4846 8.4859 8.4859 9.4449 9.4449 11.7060 11.7060 k = 0.0000 0.0000 0.2132 ( 4614 PWs) bands (ev): -49.6485 -49.6485 -26.2811 -26.2811 -25.6386 -25.6386 -25.6058 -25.6058 -5.5436 -5.5436 -4.5655 -4.5655 3.6622 3.6622 5.2348 5.2348 5.2601 5.2601 6.0871 6.0871 7.9038 7.9038 7.9780 7.9780 8.4837 8.4837 8.4850 8.4850 9.4595 9.4595 11.7198 11.7198 k = 0.0000 0.0000 0.2238 ( 4626 PWs) bands (ev): -49.6485 -49.6485 -26.2811 -26.2811 -25.6386 -25.6386 -25.6058 -25.6058 -5.5231 -5.5231 -4.5946 -4.5946 3.7465 3.7465 5.2368 5.2368 5.2619 5.2619 5.9788 5.9788 7.8967 7.8967 7.9709 7.9709 8.4829 8.4829 8.4841 8.4841 9.4721 9.4721 11.7325 11.7325 k = 0.0000 0.0000 0.2345 ( 4614 PWs) bands (ev): -49.6485 -49.6485 -26.2811 -26.2811 -25.6386 -25.6386 -25.6058 -25.6058 -5.5038 -5.5038 -4.6216 -4.6216 3.8284 3.8284 5.2385 5.2385 5.2636 5.2636 5.8761 5.8761 7.8903 7.8903 7.9645 7.9645 8.4821 8.4821 8.4834 8.4834 9.4829 9.4829 11.7438 11.7438 k = 0.0000 0.0000 0.2452 ( 4608 PWs) bands (ev): -49.6485 -49.6485 -26.2811 -26.2811 -25.6386 -25.6386 -25.6058 -25.6058 -5.4860 -5.4860 -4.6460 -4.6460 3.9059 3.9059 5.2400 5.2400 5.2651 5.2651 5.7808 5.7808 7.8848 7.8848 7.9590 7.9590 8.4815 8.4815 8.4827 8.4827 9.4920 9.4920 11.7537 11.7537 k = 0.0000 0.0000 0.2558 ( 4596 PWs) bands (ev): -49.6485 -49.6485 -26.2811 -26.2811 -25.6386 -25.6386 -25.6058 -25.6058 -5.4704 -5.4704 -4.6672 -4.6672 3.9767 3.9767 5.2413 5.2413 5.2663 5.2663 5.6955 5.6955 7.8803 7.8803 7.9544 7.9544 8.4809 8.4809 8.4821 8.4821 9.4993 9.4993 11.7619 11.7619 k = 0.0000 0.0000 0.2665 ( 4608 PWs) bands (ev): -49.6485 -49.6485 -26.2811 -26.2811 -25.6386 -25.6386 -25.6058 -25.6058 -5.4574 -5.4574 -4.6845 -4.6845 4.0377 4.0377 5.2423 5.2423 5.2673 5.2673 5.6233 5.6233 7.8766 7.8766 7.9508 7.9508 8.4805 8.4805 8.4817 8.4817 9.5049 9.5049 11.7684 11.7684 k = 0.0000 0.0000 0.2771 ( 4614 PWs) bands (ev): -49.6485 -49.6485 -26.2811 -26.2811 -25.6386 -25.6386 -25.6058 -25.6058 -5.4477 -5.4477 -4.6974 -4.6974 4.0852 4.0852 5.2430 5.2430 5.2680 5.2680 5.5676 5.5676 7.8740 7.8740 7.9482 7.9482 8.4802 8.4802 8.4814 8.4814 9.5089 9.5089 11.7732 11.7732 k = 0.0000 0.0000 0.2878 ( 4590 PWs) bands (ev): -49.6485 -49.6485 -26.2811 -26.2811 -25.6386 -25.6386 -25.6058 -25.6058 -5.4417 -5.4417 -4.7053 -4.7053 4.1156 4.1156 5.2435 5.2435 5.2684 5.2684 5.5323 5.5323 7.8725 7.8725 7.9466 7.9466 8.4800 8.4800 8.4812 8.4812 9.5113 9.5113 11.7760 11.7760 k = 0.0000 0.0000 0.2985 ( 4590 PWs) bands (ev): -49.6485 -49.6485 -26.2811 -26.2811 -25.6386 -25.6386 -25.6058 -25.6058 -5.4396 -5.4396 -4.7080 -4.7080 4.1262 4.1262 5.2436 5.2436 5.2686 5.2686 5.5201 5.5201 7.8719 7.8719 7.9461 7.9461 8.4799 8.4799 8.4811 8.4811 9.5121 9.5121 11.7770 11.7770 k = 0.0000 0.0000 0.2985 ( 4590 PWs) bands (ev): -49.6485 -49.6485 -26.2811 -26.2811 -25.6386 -25.6386 -25.6058 -25.6058 -5.4396 -5.4396 -4.7080 -4.7080 4.1262 4.1262 5.2436 5.2436 5.2686 5.2686 5.5201 5.5201 7.8719 7.8719 7.9461 7.9461 8.4799 8.4799 8.4811 8.4811 9.5121 9.5121 11.7770 11.7770 k = 0.0093 0.0053 0.2985 ( 4598 PWs) bands (ev): -49.6485 -49.6485 -26.2812 -26.2812 -25.6386 -25.6386 -25.6059 -25.6059 -5.4386 -5.4386 -4.7075 -4.7075 4.1271 4.1271 5.2318 5.2318 5.2623 5.2623 5.5383 5.5383 7.8618 7.8618 7.9352 7.9352 8.4869 8.4869 8.4881 8.4881 9.5150 9.5150 11.7738 11.7738 k = 0.0185 0.0107 0.2985 ( 4598 PWs) bands (ev): -49.6485 -49.6485 -26.2813 -26.2813 -25.6387 -25.6387 -25.6061 -25.6061 -5.4356 -5.4356 -4.7062 -4.7062 4.1300 4.1300 5.1906 5.1906 5.2593 5.2593 5.5827 5.5827 7.8317 7.8317 7.9057 7.9057 8.5039 8.5039 8.5100 8.5100 9.5234 9.5234 11.7630 11.7630 k = 0.0278 0.0160 0.2985 ( 4594 PWs) bands (ev): -49.6484 -49.6484 -26.2814 -26.2814 -25.6387 -25.6387 -25.6065 -25.6065 -5.4306 -5.4306 -4.7039 -4.7039 4.1348 4.1348 5.1338 5.1338 5.2600 5.2600 5.6393 5.6393 7.7820 7.7820 7.8644 7.8644 8.5275 8.5275 8.5431 8.5431 9.5373 9.5373 11.7426 11.7426 k = 0.0370 0.0214 0.2985 ( 4598 PWs) bands (ev): -49.6484 -49.6484 -26.2817 -26.2817 -25.6388 -25.6388 -25.6070 -25.6070 -5.4236 -5.4236 -4.7008 -4.7008 4.1415 4.1415 5.0705 5.0705 5.2621 5.2621 5.7011 5.7011 7.7148 7.7148 7.8171 7.8171 8.5533 8.5533 8.5842 8.5842 9.5562 9.5562 11.7122 11.7122 k = 0.0463 0.0267 0.2985 ( 4606 PWs) bands (ev): -49.6483 -49.6483 -26.2820 -26.2820 -25.6389 -25.6389 -25.6076 -25.6076 -5.4146 -5.4146 -4.6967 -4.6967 4.1501 4.1501 5.0044 5.0044 5.2649 5.2649 5.7649 5.7649 7.6337 7.6337 7.7667 7.7667 8.5785 8.5785 8.6308 8.6308 9.5797 9.5797 11.6731 11.6731 k = 0.0556 0.0321 0.2985 ( 4614 PWs) bands (ev): -49.6481 -49.6481 -26.2824 -26.2824 -25.6391 -25.6391 -25.6084 -25.6084 -5.4037 -5.4037 -4.6918 -4.6918 4.1604 4.1604 4.9370 4.9370 5.2685 5.2685 5.8292 5.8292 7.5423 7.5423 7.7141 7.7141 8.6009 8.6009 8.6810 8.6810 9.6070 9.6070 11.6269 11.6269 k = 0.0648 0.0374 0.2985 ( 4610 PWs) bands (ev): -49.6480 -49.6480 -26.2828 -26.2828 -25.6392 -25.6392 -25.6093 -25.6093 -5.3908 -5.3908 -4.6860 -4.6860 4.1726 4.1726 4.8691 4.8691 5.2726 5.2726 5.8932 5.8932 7.4431 7.4431 7.6601 7.6601 8.6199 8.6199 8.7335 8.7335 9.6374 9.6374 11.5748 11.5748 k = 0.0741 0.0428 0.2985 ( 4618 PWs) bands (ev): -49.6479 -49.6479 -26.2833 -26.2833 -25.6394 -25.6394 -25.6103 -25.6103 -5.3760 -5.3760 -4.6794 -4.6794 4.1864 4.1864 4.8011 4.8011 5.2774 5.2774 5.9564 5.9564 7.3378 7.3378 7.6052 7.6052 8.6349 8.6349 8.7872 8.7872 9.6702 9.6702 11.5181 11.5181 k = 0.0833 0.0481 0.2985 ( 4618 PWs) bands (ev): -49.6477 -49.6477 -26.2839 -26.2839 -25.6397 -25.6397 -25.6114 -25.6114 -5.3593 -5.3593 -4.6719 -4.6719 4.2019 4.2019 4.7334 4.7334 5.2825 5.2825 6.0183 6.0183 7.2279 7.2279 7.5501 7.5501 8.6461 8.6461 8.8414 8.8414 9.7046 9.7046 11.4580 11.4580 k = 0.0926 0.0535 0.2985 ( 4624 PWs) bands (ev): -49.6475 -49.6475 -26.2845 -26.2845 -25.6400 -25.6400 -25.6126 -25.6126 -5.3408 -5.3408 -4.6636 -4.6636 4.2189 4.2189 4.6662 4.6662 5.2882 5.2882 6.0785 6.0785 7.1142 7.1142 7.4950 7.4950 8.6536 8.6536 8.8956 8.8956 9.7398 9.7398 11.3956 11.3956 k = 0.1019 0.0588 0.2985 ( 4626 PWs) bands (ev): -49.6473 -49.6473 -26.2852 -26.2852 -25.6403 -25.6403 -25.6139 -25.6139 -5.3204 -5.3204 -4.6544 -4.6544 4.2373 4.2373 4.5997 4.5997 5.2941 5.2941 6.1367 6.1367 6.9977 6.9977 7.4404 7.4404 8.6576 8.6576 8.9494 8.9494 9.7751 9.7751 11.3319 11.3319 k = 0.1111 0.0642 0.2985 ( 4626 PWs) bands (ev): -49.6470 -49.6470 -26.2860 -26.2860 -25.6407 -25.6407 -25.6153 -25.6153 -5.2983 -5.2983 -4.6445 -4.6445 4.2570 4.2570 4.5341 4.5341 5.3003 5.3003 6.1925 6.1925 6.8791 6.8791 7.3865 7.3865 8.6587 8.6587 9.0022 9.0022 9.8098 9.8098 11.2681 11.2681 k = 0.1204 0.0695 0.2985 ( 4630 PWs) bands (ev): -49.6468 -49.6468 -26.2868 -26.2868 -25.6412 -25.6412 -25.6167 -25.6167 -5.2744 -5.2744 -4.6338 -4.6338 4.2777 4.2777 4.4695 4.4695 5.3067 5.3067 6.2454 6.2454 6.7593 6.7593 7.3336 7.3336 8.6569 8.6569 9.0540 9.0540 9.8434 9.8434 11.2052 11.2052 k = 0.1296 0.0748 0.2985 ( 4640 PWs) bands (ev): -49.6465 -49.6465 -26.2877 -26.2877 -25.6418 -25.6418 -25.6181 -25.6181 -5.2488 -5.2488 -4.6224 -4.6224 4.2992 4.2992 4.4062 4.4062 5.3132 5.3132 6.2946 6.2946 6.6394 6.6394 7.2819 7.2819 8.6526 8.6526 9.1043 9.1043 9.8753 9.8753 11.1443 11.1443 k = 0.1389 0.0802 0.2985 ( 4636 PWs) bands (ev): -49.6463 -49.6463 -26.2886 -26.2886 -25.6425 -25.6425 -25.6195 -25.6195 -5.2217 -5.2217 -4.6102 -4.6102 4.3185 4.3185 4.3469 4.3469 5.3197 5.3197 6.3374 6.3374 6.5225 6.5225 7.2317 7.2317 8.6459 8.6459 9.1529 9.1529 9.9048 9.9048 11.0866 11.0866 k = 0.1481 0.0855 0.2985 ( 4640 PWs) bands (ev): -49.6460 -49.6460 -26.2896 -26.2896 -25.6433 -25.6433 -25.6209 -25.6209 -5.1929 -5.1929 -4.5973 -4.5973 4.2799 4.2799 4.3472 4.3472 5.3260 5.3260 6.3472 6.3472 6.4353 6.4353 7.1831 7.1831 8.6372 8.6372 9.1997 9.1997 9.9317 9.9317 11.0330 11.0330 k = 0.1574 0.0909 0.2985 ( 4636 PWs) bands (ev): -49.6457 -49.6457 -26.2907 -26.2907 -25.6442 -25.6442 -25.6223 -25.6223 -5.1627 -5.1627 -4.5838 -4.5838 4.2208 4.2208 4.3693 4.3693 5.3322 5.3322 6.2569 6.2569 6.4456 6.4456 7.1362 7.1362 8.6264 8.6264 9.2444 9.2444 9.9552 9.9552 10.9848 10.9848 k = 0.1667 0.0962 0.2985 ( 4638 PWs) bands (ev): -49.6454 -49.6454 -26.2917 -26.2917 -25.6453 -25.6453 -25.6236 -25.6236 -5.1310 -5.1310 -4.5696 -4.5696 4.1624 4.1624 4.3916 4.3916 5.3380 5.3380 6.1420 6.1420 6.4782 6.4782 7.0914 7.0914 8.6138 8.6138 9.2868 9.2868 9.9749 9.9749 10.9431 10.9431 k = 0.1759 0.1016 0.2985 ( 4650 PWs) bands (ev): -49.6450 -49.6450 -26.2929 -26.2929 -25.6465 -25.6465 -25.6248 -25.6248 -5.0980 -5.0980 -4.5548 -4.5548 4.1054 4.1054 4.4131 4.4131 5.3433 5.3433 6.0261 6.0261 6.5100 6.5100 7.0486 7.0486 8.5994 8.5994 9.3269 9.3269 9.9904 9.9904 10.9088 10.9088 k = 0.1852 0.1069 0.2985 ( 4642 PWs) bands (ev): -49.6447 -49.6447 -26.2941 -26.2941 -25.6479 -25.6479 -25.6259 -25.6259 -5.0638 -5.0638 -4.5393 -4.5393 4.0498 4.0498 4.4327 4.4327 5.3481 5.3481 5.9126 5.9126 6.5387 6.5387 7.0081 7.0081 8.5832 8.5832 9.3644 9.3644 10.0015 10.0015 10.8828 10.8828 k = 0.1944 0.1123 0.2985 ( 4640 PWs) bands (ev): -49.6444 -49.6444 -26.2953 -26.2953 -25.6495 -25.6495 -25.6269 -25.6269 -5.0284 -5.0284 -4.5233 -4.5233 3.9957 3.9957 4.4497 4.4497 5.3522 5.3522 5.8031 5.8031 6.5634 6.5634 6.9699 6.9699 8.5654 8.5654 9.3993 9.3993 10.0080 10.0080 10.8656 10.8656 k = 0.2037 0.1176 0.2985 ( 4640 PWs) bands (ev): -49.6440 -49.6440 -26.2965 -26.2965 -25.6512 -25.6512 -25.6277 -25.6277 -4.9919 -4.9919 -4.5067 -4.5067 3.9431 3.9431 4.4625 4.4625 5.3555 5.3555 5.6991 5.6991 6.5840 6.5840 6.9343 6.9343 8.5461 8.5461 9.4314 9.4314 10.0103 10.0103 10.8575 10.8575 k = 0.2130 0.1230 0.2985 ( 4638 PWs) bands (ev): -49.6437 -49.6437 -26.2978 -26.2978 -25.6531 -25.6531 -25.6285 -25.6285 -4.9545 -4.9545 -4.4896 -4.4896 3.8921 3.8921 4.4697 4.4697 5.3579 5.3579 5.6026 5.6026 6.6004 6.6004 6.9013 6.9013 8.5254 8.5254 9.4607 9.4607 10.0088 10.0088 10.8584 10.8584 k = 0.2222 0.1283 0.2985 ( 4638 PWs) bands (ev): -49.6433 -49.6433 -26.2991 -26.2991 -25.6551 -25.6551 -25.6291 -25.6291 -4.9163 -4.9163 -4.4720 -4.4720 3.8426 3.8426 4.4693 4.4693 5.3592 5.3592 5.5156 5.5156 6.6124 6.6124 6.8709 6.8709 8.5034 8.5034 9.4871 9.4871 10.0042 10.0042 10.8677 10.8677 k = 0.2315 0.1336 0.2985 ( 4632 PWs) bands (ev): -49.6429 -49.6429 -26.3004 -26.3004 -25.6572 -25.6572 -25.6297 -25.6297 -4.8774 -4.8774 -4.4538 -4.4538 3.7946 3.7946 4.4592 4.4592 5.3591 5.3591 5.4406 5.4406 6.6202 6.6202 6.8433 6.8433 8.4802 8.4802 9.5108 9.5108 9.9975 9.9975 10.8849 10.8849 k = 0.2407 0.1390 0.2985 ( 4632 PWs) bands (ev): -49.6426 -49.6426 -26.3018 -26.3018 -25.6594 -25.6594 -25.6301 -25.6301 -4.8380 -4.8380 -4.4352 -4.4352 3.7481 3.7481 4.4376 4.4376 5.3553 5.3553 5.3817 5.3817 6.6240 6.6240 6.8185 6.8185 8.4562 8.4562 9.5315 9.5315 9.9894 9.9894 10.9091 10.9091 k = 0.2500 0.1443 0.2985 ( 4634 PWs) bands (ev): -49.6422 -49.6422 -26.3032 -26.3032 -25.6617 -25.6617 -25.6305 -25.6305 -4.7982 -4.7982 -4.4160 -4.4160 3.7030 3.7030 4.4034 4.4034 5.3269 5.3269 5.3609 5.3609 6.6239 6.6239 6.7965 6.7965 8.4314 8.4314 9.5495 9.5495 9.9806 9.9806 10.9396 10.9396 k = 0.2593 0.1497 0.2985 ( 4630 PWs) bands (ev): -49.6418 -49.6418 -26.3045 -26.3045 -25.6640 -25.6640 -25.6309 -25.6309 -4.7583 -4.7583 -4.3963 -4.3963 3.6591 3.6591 4.3569 4.3569 5.2955 5.2955 5.3565 5.3565 6.6205 6.6205 6.7771 6.7771 8.4061 8.4061 9.5648 9.5648 9.9719 9.9719 10.9757 10.9757 k = 0.2685 0.1550 0.2985 ( 4628 PWs) bands (ev): -49.6415 -49.6415 -26.3059 -26.3059 -25.6663 -25.6663 -25.6311 -25.6311 -4.7184 -4.7184 -4.3760 -4.3760 3.6162 3.6162 4.2995 4.2995 5.2760 5.2760 5.3522 5.3522 6.6142 6.6142 6.7604 6.7604 8.3805 8.3805 9.5775 9.5775 9.9636 9.9636 11.0167 11.0167 k = 0.2778 0.1604 0.2985 ( 4628 PWs) bands (ev): -49.6411 -49.6411 -26.3073 -26.3073 -25.6687 -25.6687 -25.6314 -25.6314 -4.6788 -4.6788 -4.3550 -4.3550 3.5742 3.5742 4.2339 4.2339 5.2668 5.2668 5.3470 5.3470 6.6056 6.6056 6.7461 6.7461 8.3549 8.3549 9.5878 9.5878 9.9561 9.9561 11.0621 11.0621 k = 0.2870 0.1657 0.2985 ( 4636 PWs) bands (ev): -49.6407 -49.6407 -26.3087 -26.3087 -25.6710 -25.6710 -25.6316 -25.6316 -4.6397 -4.6397 -4.3335 -4.3335 3.5327 3.5327 4.1627 4.1627 5.2653 5.2653 5.3410 5.3410 6.5953 6.5953 6.7342 6.7342 8.3293 8.3293 9.5958 9.5958 9.9494 9.9494 11.1114 11.1114 k = 0.2963 0.1711 0.2985 ( 4638 PWs) bands (ev): -49.6404 -49.6404 -26.3101 -26.3101 -25.6734 -25.6734 -25.6318 -25.6318 -4.6014 -4.6014 -4.3111 -4.3111 3.4913 3.4913 4.0888 4.0888 5.2690 5.2690 5.3343 5.3343 6.5840 6.5840 6.7244 6.7244 8.3039 8.3039 9.6016 9.6016 9.9437 9.9437 11.1642 11.1642 k = 0.3056 0.1764 0.2985 ( 4638 PWs) bands (ev): -49.6400 -49.6400 -26.3114 -26.3114 -25.6757 -25.6757 -25.6319 -25.6319 -4.5643 -4.5643 -4.2879 -4.2879 3.4495 3.4495 4.0145 4.0145 5.2754 5.2754 5.3272 5.3272 6.5724 6.5724 6.7168 6.7168 8.2789 8.2789 9.6056 9.6056 9.9389 9.9389 11.2200 11.2200 k = 0.3148 0.1818 0.2985 ( 4638 PWs) bands (ev): -49.6397 -49.6397 -26.3128 -26.3128 -25.6779 -25.6779 -25.6320 -25.6320 -4.5285 -4.5285 -4.2638 -4.2638 3.4066 3.4066 3.9421 3.9421 5.2821 5.2821 5.3204 5.3204 6.5612 6.5612 6.7112 6.7112 8.2542 8.2542 9.6079 9.6079 9.9351 9.9351 11.2785 11.2785 k = 0.3241 0.1871 0.2985 ( 4642 PWs) bands (ev): -49.6393 -49.6393 -26.3141 -26.3141 -25.6801 -25.6801 -25.6322 -25.6322 -4.4945 -4.4945 -4.2387 -4.2387 3.3621 3.3621 3.8733 3.8733 5.2861 5.2861 5.3154 5.3154 6.5512 6.5512 6.7074 6.7074 8.2301 8.2301 9.6086 9.6086 9.9322 9.9322 11.3317 11.3317 k = 0.3333 0.1925 0.2985 ( 4638 PWs) bands (ev): -49.6390 -49.6390 -26.3154 -26.3154 -25.6823 -25.6823 -25.6322 -25.6322 -4.4624 -4.4624 -4.2126 -4.2126 3.3154 3.3154 3.8097 3.8097 5.2846 5.2846 5.3143 5.3143 6.5432 6.5432 6.7052 6.7052 8.2064 8.2064 9.6080 9.6080 9.9300 9.9300 11.3359 11.3359 k = 0.3426 0.1978 0.2985 ( 4638 PWs) bands (ev): -49.6387 -49.6387 -26.3166 -26.3166 -25.6844 -25.6844 -25.6323 -25.6323 -4.4325 -4.4325 -4.1855 -4.1855 3.2661 3.2661 3.7524 3.7524 5.2780 5.2780 5.3156 5.3156 6.5376 6.5376 6.7045 6.7045 8.1833 8.1833 9.6064 9.6064 9.9285 9.9285 11.3395 11.3395 k = 0.3519 0.2031 0.2985 ( 4634 PWs) bands (ev): -49.6384 -49.6384 -26.3178 -26.3178 -25.6864 -25.6864 -25.6324 -25.6324 -4.4048 -4.4048 -4.1576 -4.1576 3.2143 3.2143 3.7020 3.7020 5.2691 5.2691 5.3162 5.3162 6.5350 6.5350 6.7051 6.7051 8.1606 8.1606 9.6038 9.6038 9.9276 9.9276 11.3436 11.3436 k = 0.3611 0.2085 0.2985 ( 4642 PWs) bands (ev): -49.6381 -49.6381 -26.3190 -26.3190 -25.6883 -25.6883 -25.6324 -25.6324 -4.3795 -4.3795 -4.1290 -4.1290 3.1602 3.1602 3.6586 3.6586 5.2593 5.2593 5.3145 5.3145 6.5357 6.5357 6.7069 6.7069 8.1385 8.1385 9.6005 9.6005 9.9272 9.9272 11.3481 11.3481 k = 0.3704 0.2138 0.2985 ( 4634 PWs) bands (ev): -49.6378 -49.6378 -26.3201 -26.3201 -25.6901 -25.6901 -25.6325 -25.6325 -4.3564 -4.3564 -4.1001 -4.1001 3.1046 3.1046 3.6218 3.6218 5.2491 5.2491 5.3099 5.3099 6.5397 6.5397 6.7095 6.7095 8.1169 8.1169 9.5966 9.5966 9.9273 9.9273 11.3529 11.3529 k = 0.3796 0.2192 0.2985 ( 4634 PWs) bands (ev): -49.6376 -49.6376 -26.3212 -26.3212 -25.6918 -25.6918 -25.6325 -25.6325 -4.3355 -4.3355 -4.0712 -4.0712 3.0484 3.0484 3.5911 3.5911 5.2388 5.2388 5.3024 5.3024 6.5471 6.5471 6.7130 6.7130 8.0958 8.0958 9.5924 9.5924 9.9277 9.9277 11.3577 11.3577 k = 0.3889 0.2245 0.2985 ( 4636 PWs) bands (ev): -49.6373 -49.6373 -26.3222 -26.3222 -25.6934 -25.6934 -25.6325 -25.6325 -4.3166 -4.3166 -4.0426 -4.0426 2.9927 2.9927 3.5656 3.5656 5.2287 5.2287 5.2923 5.2923 6.5574 6.5574 6.7170 6.7170 8.0754 8.0754 9.5879 9.5879 9.9283 9.9283 11.3626 11.3626 k = 0.3981 0.2299 0.2985 ( 4636 PWs) bands (ev): -49.6371 -49.6371 -26.3232 -26.3232 -25.6949 -25.6949 -25.6325 -25.6325 -4.2996 -4.2996 -4.0148 -4.0148 2.9385 2.9385 3.5447 3.5447 5.2187 5.2187 5.2800 5.2800 6.5701 6.5701 6.7216 6.7216 8.0555 8.0555 9.5832 9.5832 9.9292 9.9292 11.3675 11.3675 k = 0.4074 0.2352 0.2985 ( 4648 PWs) bands (ev): -49.6369 -49.6369 -26.3240 -26.3240 -25.6963 -25.6963 -25.6326 -25.6326 -4.2844 -4.2844 -3.9882 -3.9882 2.8865 2.8865 3.5276 3.5276 5.2092 5.2092 5.2661 5.2661 6.5848 6.5848 6.7265 6.7265 8.0365 8.0365 9.5786 9.5786 9.9302 9.9302 11.3721 11.3721 k = 0.4167 0.2406 0.2985 ( 4644 PWs) bands (ev): -49.6367 -49.6367 -26.3248 -26.3248 -25.6976 -25.6976 -25.6326 -25.6326 -4.2709 -4.2709 -3.9630 -3.9630 2.8376 2.8376 3.5137 3.5137 5.1999 5.1999 5.2513 5.2513 6.6007 6.6007 6.7316 6.7316 8.0183 8.0183 9.5742 9.5742 9.9313 9.9313 11.3766 11.3766 k = 0.4259 0.2459 0.2985 ( 4642 PWs) bands (ev): -49.6365 -49.6365 -26.3256 -26.3256 -25.6988 -25.6988 -25.6326 -25.6326 -4.2589 -4.2589 -3.9396 -3.9396 2.7925 2.7925 3.5025 3.5025 5.1910 5.1910 5.2364 5.2364 6.6171 6.6171 6.7370 6.7370 8.0011 8.0011 9.5699 9.5699 9.9324 9.9324 11.3807 11.3807 k = 0.4352 0.2513 0.2985 ( 4644 PWs) bands (ev): -49.6364 -49.6364 -26.3262 -26.3262 -25.6998 -25.6998 -25.6326 -25.6326 -4.2485 -4.2485 -3.9183 -3.9183 2.7515 2.7515 3.4936 3.4936 5.1825 5.1825 5.2222 5.2222 6.6332 6.6332 6.7424 6.7424 7.9851 7.9851 9.5660 9.5660 9.9335 9.9335 11.3845 11.3845 k = 0.4444 0.2566 0.2985 ( 4650 PWs) bands (ev): -49.6362 -49.6362 -26.3268 -26.3268 -25.7007 -25.7007 -25.6326 -25.6326 -4.2396 -4.2396 -3.8993 -3.8993 2.7152 2.7152 3.4866 3.4866 5.1741 5.1741 5.2093 5.2093 6.6484 6.6484 6.7478 6.7478 7.9706 7.9706 9.5624 9.5624 9.9346 9.9346 11.3879 11.3879 k = 0.4537 0.2619 0.2985 ( 4654 PWs) bands (ev): -49.6361 -49.6361 -26.3273 -26.3273 -25.7014 -25.7014 -25.6326 -25.6326 -4.2321 -4.2321 -3.8828 -3.8828 2.6839 2.6839 3.4812 3.4812 5.1660 5.1660 5.1984 5.1984 6.6619 6.6619 6.7532 6.7532 7.9577 7.9577 9.5593 9.5593 9.9356 9.9356 11.3908 11.3908 k = 0.4630 0.2673 0.2985 ( 4660 PWs) bands (ev): -49.6360 -49.6360 -26.3277 -26.3277 -25.7021 -25.7021 -25.6326 -25.6326 -4.2260 -4.2260 -3.8691 -3.8691 2.6579 2.6579 3.4772 3.4772 5.1582 5.1582 5.1899 5.1899 6.6733 6.6733 6.7583 6.7583 7.9467 7.9467 9.5566 9.5566 9.9365 9.9365 11.3932 11.3932 k = 0.4722 0.2726 0.2985 ( 4660 PWs) bands (ev): -49.6359 -49.6359 -26.3280 -26.3280 -25.7025 -25.7025 -25.6326 -25.6326 -4.2212 -4.2212 -3.8583 -3.8583 2.6374 2.6374 3.4742 3.4742 5.1513 5.1513 5.1836 5.1836 6.6822 6.6822 6.7628 6.7628 7.9379 7.9379 9.5546 9.5546 9.9372 9.9372 11.3952 11.3952 k = 0.4815 0.2780 0.2985 ( 4668 PWs) bands (ev): -49.6359 -49.6359 -26.3282 -26.3282 -25.7029 -25.7029 -25.6326 -25.6326 -4.2179 -4.2179 -3.8504 -3.8504 2.6227 2.6227 3.4722 3.4722 5.1459 5.1459 5.1794 5.1794 6.6886 6.6886 6.7664 6.7664 7.9314 7.9314 9.5531 9.5531 9.9377 9.9377 11.3966 11.3966 k = 0.4907 0.2833 0.2985 ( 4660 PWs) bands (ev): -49.6359 -49.6359 -26.3284 -26.3284 -25.7031 -25.7031 -25.6326 -25.6326 -4.2159 -4.2159 -3.8457 -3.8457 2.6138 2.6138 3.4711 3.4711 5.1425 5.1425 5.1770 5.1770 6.6924 6.6924 6.7688 6.7688 7.9275 7.9275 9.5521 9.5521 9.9380 9.9380 11.3974 11.3974 k = 0.5000 0.2887 0.2985 ( 4656 PWs) bands (ev): -49.6358 -49.6358 -26.3284 -26.3284 -25.7032 -25.7032 -25.6326 -25.6326 -4.2152 -4.2152 -3.8441 -3.8441 2.6108 2.6108 3.4707 3.4707 5.1413 5.1413 5.1762 5.1762 6.6936 6.6936 6.7696 6.7696 7.9261 7.9261 9.5518 9.5518 9.9381 9.9381 11.3977 11.3977 k = 0.5000 0.2887 0.2985 ( 4656 PWs) bands (ev): -49.6358 -49.6358 -26.3284 -26.3284 -25.7032 -25.7032 -25.6326 -25.6326 -4.2152 -4.2152 -3.8441 -3.8441 2.6108 2.6108 3.4707 3.4707 5.1413 5.1413 5.1762 5.1762 6.6936 6.6936 6.7696 6.7696 7.9261 7.9261 9.5518 9.5518 9.9381 9.9381 11.3977 11.3977 k = 0.4946 0.2980 0.2985 ( 4660 PWs) bands (ev): -49.6358 -49.6358 -26.3284 -26.3284 -25.7032 -25.7032 -25.6326 -25.6326 -4.2146 -4.2146 -3.8441 -3.8441 2.6122 2.6122 3.4710 3.4710 5.1411 5.1411 5.1756 5.1756 6.6897 6.6897 6.7636 6.7636 7.9320 7.9320 9.5522 9.5522 9.9373 9.9373 11.3951 11.3951 k = 0.4892 0.3073 0.2985 ( 4654 PWs) bands (ev): -49.6358 -49.6358 -26.3284 -26.3284 -25.7031 -25.7031 -25.6328 -25.6328 -4.2129 -4.2129 -3.8441 -3.8441 2.6163 2.6163 3.4720 3.4720 5.1406 5.1406 5.1741 5.1741 6.6767 6.6767 6.7474 6.7474 7.9493 7.9493 9.5534 9.5534 9.9350 9.9350 11.3876 11.3876 k = 0.4839 0.3166 0.2985 ( 4654 PWs) bands (ev): -49.6358 -49.6358 -26.3285 -26.3285 -25.7031 -25.7031 -25.6330 -25.6330 -4.2101 -4.2101 -3.8441 -3.8441 2.6231 2.6231 3.4736 3.4736 5.1395 5.1395 5.1717 5.1717 6.6507 6.6507 6.7264 6.7264 7.9764 7.9764 9.5554 9.5554 9.9312 9.9312 11.3756 11.3756 k = 0.4785 0.3259 0.2985 ( 4646 PWs) bands (ev): -49.6358 -49.6358 -26.3285 -26.3285 -25.7030 -25.7030 -25.6333 -25.6333 -4.2062 -4.2062 -3.8440 -3.8440 2.6326 2.6326 3.4758 3.4758 5.1373 5.1373 5.1690 5.1690 6.6091 6.6091 6.7053 6.7053 8.0118 8.0118 9.5581 9.5581 9.9258 9.9258 11.3597 11.3597 k = 0.4731 0.3352 0.2985 ( 4642 PWs) bands (ev): -49.6358 -49.6358 -26.3286 -26.3286 -25.7030 -25.7030 -25.6336 -25.6336 -4.2011 -4.2011 -3.8439 -3.8439 2.6448 2.6448 3.4786 3.4786 5.1335 5.1335 5.1662 5.1662 6.5537 6.5537 6.6845 6.6845 8.0534 8.0534 9.5616 9.5616 9.9189 9.9189 11.3408 11.3408 k = 0.4677 0.3445 0.2985 ( 4654 PWs) bands (ev): -49.6357 -49.6357 -26.3286 -26.3286 -25.7029 -25.7029 -25.6341 -25.6341 -4.1950 -4.1950 -3.8439 -3.8439 2.6596 2.6596 3.4820 3.4820 5.1279 5.1279 5.1638 5.1638 6.4883 6.4883 6.6625 6.6625 8.0996 8.0996 9.5657 9.5657 9.9105 9.9105 11.3198 11.3198 k = 0.4624 0.3539 0.2985 ( 4656 PWs) bands (ev): -49.6357 -49.6357 -26.3287 -26.3287 -25.7028 -25.7028 -25.6346 -25.6346 -4.1879 -4.1879 -3.8438 -3.8438 2.6771 2.6771 3.4859 3.4859 5.1204 5.1204 5.1614 5.1614 6.4160 6.4160 6.6383 6.6383 8.1490 8.1490 9.5704 9.5704 9.9006 9.9006 11.2976 11.2976 k = 0.4570 0.3632 0.2985 ( 4660 PWs) bands (ev): -49.6356 -49.6356 -26.3288 -26.3288 -25.7027 -25.7027 -25.6352 -25.6352 -4.1798 -4.1798 -3.8438 -3.8438 2.6973 2.6973 3.4903 3.4903 5.1113 5.1113 5.1587 5.1587 6.3391 6.3391 6.6114 6.6114 8.2005 8.2005 9.5756 9.5756 9.8893 9.8893 11.2753 11.2753 k = 0.4516 0.3725 0.2985 ( 4654 PWs) bands (ev): -49.6356 -49.6356 -26.3289 -26.3289 -25.7026 -25.7026 -25.6358 -25.6358 -4.1707 -4.1707 -3.8438 -3.8438 2.7200 2.7200 3.4951 3.4951 5.1009 5.1009 5.1550 5.1550 6.2596 6.2596 6.5817 6.5817 8.2534 8.2534 9.5811 9.5811 9.8764 9.8764 11.2538 11.2538 k = 0.4462 0.3818 0.2985 ( 4656 PWs) bands (ev): -49.6355 -49.6355 -26.3290 -26.3290 -25.7024 -25.7024 -25.6365 -25.6365 -4.1608 -4.1608 -3.8439 -3.8439 2.7452 2.7452 3.5003 3.5003 5.0895 5.0895 5.1493 5.1493 6.1794 6.1794 6.5492 6.5492 8.3069 8.3069 9.5868 9.5868 9.8622 9.8622 11.2338 11.2338 k = 0.4409 0.3911 0.2985 ( 4656 PWs) bands (ev): -49.6354 -49.6354 -26.3291 -26.3291 -25.7023 -25.7023 -25.6373 -25.6373 -4.1499 -4.1499 -3.8441 -3.8441 2.7729 2.7729 3.5059 3.5059 5.0774 5.0774 5.1408 5.1408 6.1002 6.1002 6.5139 6.5139 8.3608 8.3608 9.5923 9.5923 9.8465 9.8465 11.2163 11.2163 k = 0.4355 0.4004 0.2985 ( 4652 PWs) bands (ev): -49.6354 -49.6354 -26.3292 -26.3292 -25.7022 -25.7022 -25.6381 -25.6381 -4.1383 -4.1383 -3.8443 -3.8443 2.8031 2.8031 3.5117 3.5117 5.0647 5.0647 5.1283 5.1283 6.0239 6.0239 6.4761 6.4761 8.4146 8.4146 9.5976 9.5976 9.8296 9.8296 11.2019 11.2019 k = 0.4301 0.4097 0.2985 ( 4654 PWs) bands (ev): -49.6353 -49.6353 -26.3294 -26.3294 -25.7020 -25.7020 -25.6389 -25.6389 -4.1260 -4.1260 -3.8446 -3.8446 2.8356 2.8356 3.5177 3.5177 5.0516 5.0516 5.1106 5.1106 5.9525 5.9525 6.4361 6.4361 8.4682 8.4682 9.6023 9.6023 9.8113 9.8113 11.1912 11.1912 k = 0.4247 0.4190 0.2985 ( 4642 PWs) bands (ev): -49.6352 -49.6352 -26.3295 -26.3295 -25.7019 -25.7019 -25.6397 -25.6397 -4.1131 -4.1131 -3.8451 -3.8451 2.8704 2.8704 3.5238 3.5238 5.0380 5.0380 5.0865 5.0865 5.8879 5.8879 6.3940 6.3940 8.5215 8.5215 9.6062 9.6062 9.7919 9.7919 11.1847 11.1847 k = 0.4194 0.4284 0.2985 ( 4642 PWs) bands (ev): -49.6351 -49.6351 -26.3296 -26.3296 -25.7018 -25.7018 -25.6405 -25.6405 -4.0995 -4.0995 -3.8457 -3.8457 2.9074 2.9074 3.5300 3.5300 5.0224 5.0224 5.0565 5.0565 5.8318 5.8318 6.3502 6.3502 8.5744 8.5744 9.6090 9.6090 9.7713 9.7713 11.1828 11.1828 k = 0.4140 0.4377 0.2985 ( 4640 PWs) bands (ev): -49.6351 -49.6351 -26.3298 -26.3298 -25.7017 -25.7017 -25.6413 -25.6413 -4.0855 -4.0855 -3.8464 -3.8464 2.9465 2.9465 3.5360 3.5360 4.9967 4.9967 5.0279 5.0279 5.7856 5.7856 6.3052 6.3052 8.6267 8.6267 9.6106 9.6106 9.7498 9.7498 11.1857 11.1857 k = 0.4086 0.4470 0.2985 ( 4636 PWs) bands (ev): -49.6350 -49.6350 -26.3300 -26.3300 -25.7016 -25.7016 -25.6421 -25.6421 -4.0712 -4.0712 -3.8474 -3.8474 2.9876 2.9876 3.5420 3.5420 4.9513 4.9513 5.0106 5.0106 5.7495 5.7495 6.2592 6.2592 8.6784 8.6784 9.6107 9.6107 9.7273 9.7273 11.1936 11.1936 k = 0.4032 0.4563 0.2985 ( 4632 PWs) bands (ev): -49.6349 -49.6349 -26.3301 -26.3301 -25.7015 -25.7015 -25.6429 -25.6429 -4.0565 -4.0565 -3.8485 -3.8485 3.0306 3.0306 3.5477 3.5477 4.8934 4.8934 4.9982 4.9982 5.7233 5.7233 6.2127 6.2127 8.7295 8.7295 9.6093 9.6093 9.7041 9.7041 11.2065 11.2065 k = 0.3978 0.4656 0.2985 ( 4636 PWs) bands (ev): -49.6348 -49.6348 -26.3303 -26.3303 -25.7014 -25.7014 -25.6437 -25.6437 -4.0417 -4.0417 -3.8499 -3.8499 3.0753 3.0753 3.5531 3.5531 4.8278 4.8278 4.9876 4.9876 5.7057 5.7057 6.1661 6.1661 8.7798 8.7798 9.6060 9.6060 9.6804 9.6804 11.2245 11.2245 k = 0.3925 0.4749 0.2985 ( 4636 PWs) bands (ev): -49.6348 -49.6348 -26.3304 -26.3304 -25.7014 -25.7014 -25.6444 -25.6444 -4.0267 -4.0267 -3.8516 -3.8516 3.1216 3.1216 3.5581 3.5581 4.7569 4.7569 4.9782 4.9782 5.6955 5.6955 6.1200 6.1200 8.8293 8.8293 9.6009 9.6009 9.6566 9.6566 11.2471 11.2471 k = 0.3871 0.4842 0.2985 ( 4652 PWs) bands (ev): -49.6347 -49.6347 -26.3306 -26.3306 -25.7014 -25.7014 -25.6451 -25.6451 -4.0119 -4.0119 -3.8535 -3.8535 3.1691 3.1691 3.5626 3.5626 4.6827 4.6827 4.9698 4.9698 5.6911 5.6911 6.0747 6.0747 8.8778 8.8778 9.5935 9.5935 9.6332 9.6332 11.2743 11.2743 k = 0.3817 0.4935 0.2985 ( 4656 PWs) bands (ev): -49.6346 -49.6346 -26.3308 -26.3308 -25.7013 -25.7013 -25.6458 -25.6458 -3.9972 -3.9972 -3.8558 -3.8558 3.2177 3.2177 3.5665 3.5665 4.6069 4.6069 4.9625 4.9625 5.6912 5.6912 6.0307 6.0307 8.9252 8.9252 9.5829 9.5829 9.6115 9.6115 11.3057 11.3057 k = 0.3763 0.5029 0.2985 ( 4652 PWs) bands (ev): -49.6345 -49.6345 -26.3309 -26.3309 -25.7013 -25.7013 -25.6463 -25.6463 -3.9828 -3.9828 -3.8584 -3.8584 3.2669 3.2669 3.5698 3.5698 4.5311 4.5311 4.9562 4.9562 5.6949 5.6949 5.9886 5.9886 8.9711 8.9711 9.5675 9.5675 9.5937 9.5937 11.3407 11.3407 k = 0.3710 0.5122 0.2985 ( 4656 PWs) bands (ev): -49.6345 -49.6345 -26.3311 -26.3311 -25.7014 -25.7014 -25.6469 -25.6469 -3.9688 -3.9688 -3.8613 -3.8613 3.3163 3.3163 3.5723 3.5723 4.4568 4.4568 4.9508 4.9508 5.7013 5.7013 5.9488 5.9488 9.0153 9.0153 9.5479 9.5479 9.5797 9.5797 11.3790 11.3790 k = 0.3656 0.5215 0.2985 ( 4658 PWs) bands (ev): -49.6344 -49.6344 -26.3312 -26.3312 -25.7014 -25.7014 -25.6473 -25.6473 -3.9554 -3.9554 -3.8646 -3.8646 3.3652 3.3652 3.5740 3.5740 4.3854 4.3854 4.9463 4.9463 5.7095 5.7095 5.9119 5.9119 9.0571 9.0571 9.5270 9.5270 9.5672 9.5672 11.4200 11.4200 k = 0.3602 0.5308 0.2985 ( 4652 PWs) bands (ev): -49.6344 -49.6344 -26.3313 -26.3313 -25.7014 -25.7014 -25.6477 -25.6477 -3.9427 -3.9427 -3.8684 -3.8684 3.4126 3.4126 3.5749 3.5749 4.3186 4.3186 4.9427 4.9427 5.7190 5.7190 5.8781 5.8781 9.0960 9.0960 9.5072 9.5072 9.5549 9.5549 11.4632 11.4632 k = 0.3548 0.5401 0.2985 ( 4660 PWs) bands (ev): -49.6343 -49.6343 -26.3314 -26.3314 -25.7015 -25.7015 -25.6480 -25.6480 -3.9308 -3.9308 -3.8725 -3.8725 3.4571 3.4571 3.5748 3.5748 4.2582 4.2582 4.9397 4.9397 5.7294 5.7294 5.8481 5.8481 9.1307 9.1307 9.4901 9.4901 9.5424 9.5424 11.5080 11.5080 k = 0.3495 0.5494 0.2985 ( 4656 PWs) bands (ev): -49.6343 -49.6343 -26.3315 -26.3315 -25.7015 -25.7015 -25.6482 -25.6482 -3.9200 -3.9200 -3.8771 -3.8771 3.4970 3.4970 3.5740 3.5740 4.2064 4.2064 4.9375 4.9375 5.7401 5.7401 5.8222 5.8222 9.1598 9.1598 9.4773 9.4773 9.5298 9.5298 11.5537 11.5537 k = 0.3441 0.5587 0.2985 ( 4660 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7016 -25.7016 -25.6484 -25.6484 -3.9103 -3.9103 -3.8821 -3.8821 3.5294 3.5294 3.5724 3.5724 4.1660 4.1660 4.9359 4.9359 5.7508 5.7508 5.8007 5.8007 9.1816 9.1816 9.4705 9.4705 9.5174 9.5174 11.5999 11.5999 k = 0.3387 0.5680 0.2985 ( 4656 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7016 -25.7016 -25.6485 -25.6485 -3.9021 -3.9021 -3.8874 -3.8874 3.5510 3.5510 3.5708 3.5708 4.1402 4.1402 4.9349 4.9349 5.7610 5.7610 5.7841 5.7841 9.1947 9.1947 9.4701 9.4701 9.5061 9.5061 11.6458 11.6458 k = 0.3333 0.5774 0.2985 ( 4656 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7016 -25.7016 -25.6485 -25.6485 -3.8975 -3.8975 -3.8910 -3.8910 3.5578 3.5578 3.5709 3.5709 4.1313 4.1313 4.9345 4.9345 5.7678 5.7678 5.7752 5.7752 9.1989 9.1989 9.4725 9.4725 9.5001 9.5001 11.6889 11.6889 k = 0.3333 0.5774 0.2985 ( 4656 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7016 -25.7016 -25.6485 -25.6485 -3.8975 -3.8975 -3.8910 -3.8910 3.5578 3.5578 3.5709 3.5709 4.1313 4.1313 4.9345 4.9345 5.7678 5.7678 5.7752 5.7752 9.1989 9.1989 9.4725 9.4725 9.5001 9.5001 11.6889 11.6889 k = 0.3280 0.5680 0.2985 ( 4660 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7016 -25.7016 -25.6485 -25.6485 -3.9017 -3.9017 -3.8878 -3.8878 3.5543 3.5543 3.5678 3.5678 4.1399 4.1399 4.9349 4.9349 5.7637 5.7637 5.7814 5.7814 9.1954 9.1954 9.4674 9.4674 9.5082 9.5082 11.6463 11.6463 k = 0.3226 0.5587 0.2985 ( 4658 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7015 -25.7015 -25.6484 -25.6484 -3.9086 -3.9086 -3.8842 -3.8842 3.5453 3.5453 3.5586 3.5586 4.1644 4.1644 4.9361 4.9361 5.7619 5.7619 5.7891 5.7891 9.1864 9.1864 9.4564 9.4564 9.5270 9.5270 11.6020 11.6020 k = 0.3172 0.5494 0.2985 ( 4654 PWs) bands (ev): -49.6343 -49.6343 -26.3315 -26.3315 -25.7015 -25.7015 -25.6483 -25.6483 -3.9163 -3.9163 -3.8822 -3.8822 3.5287 3.5287 3.5491 3.5491 4.2014 4.2014 4.9384 4.9384 5.7647 5.7647 5.7957 5.7957 9.1739 9.1739 9.4439 9.4439 9.5498 9.5498 11.5579 11.5579 k = 0.3118 0.5401 0.2985 ( 4654 PWs) bands (ev): -49.6344 -49.6344 -26.3314 -26.3314 -25.7013 -25.7013 -25.6481 -25.6481 -3.9246 -3.9246 -3.8819 -3.8819 3.5063 3.5063 3.5406 3.5406 4.2476 4.2476 4.9419 4.9419 5.7721 5.7721 5.8009 5.8009 9.1597 9.1597 9.4310 9.4310 9.5741 9.5741 11.5144 11.5144 k = 0.3065 0.5308 0.2985 ( 4654 PWs) bands (ev): -49.6344 -49.6344 -26.3312 -26.3312 -25.7011 -25.7011 -25.6478 -25.6478 -3.9335 -3.9335 -3.8837 -3.8837 3.4822 3.4822 3.5321 3.5321 4.3003 4.3003 4.9468 4.9468 5.7836 5.7836 5.8047 5.8047 9.1447 9.1447 9.4180 9.4180 9.5985 9.5985 11.4719 11.4719 k = 0.3011 0.5215 0.2985 ( 4654 PWs) bands (ev): -49.6345 -49.6345 -26.3310 -26.3310 -25.7009 -25.7009 -25.6475 -25.6475 -3.9430 -3.9430 -3.8875 -3.8875 3.4587 3.4587 3.5233 3.5233 4.3575 4.3575 4.9534 4.9534 5.7973 5.7973 5.8087 5.8087 9.1298 9.1298 9.4052 9.4052 9.6219 9.6219 11.4305 11.4305 k = 0.2957 0.5122 0.2985 ( 4650 PWs) bands (ev): -49.6346 -49.6346 -26.3307 -26.3307 -25.7006 -25.7006 -25.6472 -25.6472 -3.9531 -3.9531 -3.8934 -3.8934 3.4375 3.4375 3.5143 3.5143 4.4177 4.4177 4.9620 4.9620 5.8023 5.8023 5.8232 5.8232 9.1154 9.1154 9.3924 9.3924 9.6439 9.6439 11.3906 11.3906 k = 0.2903 0.5029 0.2985 ( 4642 PWs) bands (ev): -49.6347 -49.6347 -26.3304 -26.3304 -25.7002 -25.7002 -25.6468 -25.6468 -3.9639 -3.9639 -3.9016 -3.9016 3.4195 3.4195 3.5051 3.5051 4.4800 4.4800 4.9726 4.9726 5.8003 5.8003 5.8461 5.8461 9.1018 9.1018 9.3799 9.3799 9.6641 9.6641 11.3523 11.3523 k = 0.2849 0.4935 0.2985 ( 4642 PWs) bands (ev): -49.6348 -49.6348 -26.3301 -26.3301 -25.6998 -25.6998 -25.6464 -25.6464 -3.9752 -3.9752 -3.9120 -3.9120 3.4054 3.4054 3.4959 3.4959 4.5435 4.5435 4.9856 4.9856 5.7954 5.7954 5.8729 5.8729 9.0893 9.0893 9.3676 9.3676 9.6822 9.6822 11.3161 11.3161 k = 0.2796 0.4842 0.2985 ( 4638 PWs) bands (ev): -49.6349 -49.6349 -26.3296 -26.3296 -25.6993 -25.6993 -25.6460 -25.6460 -3.9872 -3.9872 -3.9248 -3.9248 3.3957 3.3957 3.4869 3.4869 4.6077 4.6077 5.0010 5.0010 5.7879 5.7879 5.9028 5.9028 9.0780 9.0780 9.3555 9.3555 9.6984 9.6984 11.2819 11.2819 k = 0.2742 0.4749 0.2985 ( 4650 PWs) bands (ev): -49.6350 -49.6350 -26.3292 -26.3292 -25.6986 -25.6986 -25.6456 -25.6456 -3.9997 -3.9997 -3.9398 -3.9398 3.3906 3.3906 3.4782 3.4782 4.6721 4.6721 5.0191 5.0191 5.7779 5.7779 5.9353 5.9353 9.0678 9.0678 9.3437 9.3437 9.7124 9.7124 11.2500 11.2500 k = 0.2688 0.4656 0.2985 ( 4654 PWs) bands (ev): -49.6352 -49.6352 -26.3286 -26.3286 -25.6979 -25.6979 -25.6451 -25.6451 -4.0128 -4.0128 -3.9571 -3.9571 3.3905 3.3905 3.4701 3.4701 4.7363 4.7363 5.0397 5.0397 5.7655 5.7655 5.9702 5.9702 9.0588 9.0588 9.3322 9.3322 9.7247 9.7247 11.2204 11.2204 k = 0.2634 0.4563 0.2985 ( 4652 PWs) bands (ev): -49.6354 -49.6354 -26.3280 -26.3280 -25.6972 -25.6972 -25.6446 -25.6446 -4.0265 -4.0265 -3.9768 -3.9768 3.3955 3.3955 3.4628 3.4628 4.8000 4.8000 5.0631 5.0631 5.7505 5.7505 6.0070 6.0070 9.0507 9.0507 9.3210 9.3210 9.7353 9.7353 11.1932 11.1932 k = 0.2581 0.4470 0.2985 ( 4648 PWs) bands (ev): -49.6355 -49.6355 -26.3274 -26.3274 -25.6963 -25.6963 -25.6441 -25.6441 -4.0408 -4.0408 -3.9986 -3.9986 3.4055 3.4055 3.4565 3.4565 4.8628 4.8628 5.0893 5.0893 5.7332 5.7332 6.0455 6.0455 9.0436 9.0436 9.3101 9.3101 9.7446 9.7446 11.1684 11.1684 k = 0.2527 0.4377 0.2985 ( 4652 PWs) bands (ev): -49.6357 -49.6357 -26.3267 -26.3267 -25.6953 -25.6953 -25.6436 -25.6436 -4.0556 -4.0556 -4.0226 -4.0226 3.4203 3.4203 3.4515 3.4515 4.9245 4.9245 5.1182 5.1182 5.7135 5.7135 6.0854 6.0854 9.0371 9.0371 9.2995 9.2995 9.7531 9.7531 11.1458 11.1458 k = 0.2473 0.4284 0.2985 ( 4656 PWs) bands (ev): -49.6360 -49.6360 -26.3259 -26.3259 -25.6943 -25.6943 -25.6431 -25.6431 -4.0710 -4.0710 -4.0487 -4.0487 3.4376 3.4376 3.4505 3.4505 4.9847 4.9847 5.1498 5.1498 5.6915 5.6915 6.1264 6.1264 9.0310 9.0310 9.2894 9.2894 9.7613 9.7613 11.1255 11.1255 k = 0.2419 0.4190 0.2985 ( 4636 PWs) bands (ev): -49.6362 -49.6362 -26.3251 -26.3251 -25.6931 -25.6931 -25.6426 -25.6426 -4.0873 -4.0873 -4.0764 -4.0764 3.4419 3.4419 3.4691 3.4691 5.0433 5.0433 5.1842 5.1842 5.6673 5.6673 6.1681 6.1681 9.0252 9.0252 9.2796 9.2796 9.7696 9.7696 11.1072 11.1072 k = 0.2366 0.4097 0.2985 ( 4640 PWs) bands (ev): -49.6364 -49.6364 -26.3242 -26.3242 -25.6919 -25.6919 -25.6421 -25.6421 -4.1088 -4.1088 -4.1013 -4.1013 3.4414 3.4414 3.4988 3.4988 5.1000 5.1000 5.2213 5.2213 5.6412 5.6412 6.2102 6.2102 9.0193 9.0193 9.2703 9.2703 9.7785 9.7785 11.0908 11.0908 k = 0.2312 0.4004 0.2985 ( 4644 PWs) bands (ev): -49.6367 -49.6367 -26.3233 -26.3233 -25.6905 -25.6905 -25.6416 -25.6416 -4.1398 -4.1398 -4.1190 -4.1190 3.4421 3.4421 3.5339 3.5339 5.1546 5.1546 5.2609 5.2609 5.6132 5.6132 6.2526 6.2526 9.0131 9.0131 9.2616 9.2616 9.7884 9.7884 11.0762 11.0762 k = 0.2258 0.3911 0.2985 ( 4640 PWs) bands (ev): -49.6370 -49.6370 -26.3223 -26.3223 -25.6891 -25.6891 -25.6411 -25.6411 -4.1733 -4.1733 -4.1363 -4.1363 3.4445 3.4445 3.5738 3.5738 5.2070 5.2070 5.3031 5.3031 5.5836 5.5836 6.2947 6.2947 9.0066 9.0066 9.2535 9.2535 9.7999 9.7999 11.0633 11.0633 k = 0.2204 0.3818 0.2985 ( 4644 PWs) bands (ev): -49.6372 -49.6372 -26.3213 -26.3213 -25.6876 -25.6876 -25.6405 -25.6405 -4.2085 -4.2085 -4.1539 -4.1539 3.4488 3.4488 3.6181 3.6181 5.2570 5.2570 5.3477 5.3477 5.5527 5.5527 6.3364 6.3364 8.9995 8.9995 9.2461 9.2461 9.8130 9.8130 11.0519 11.0519 k = 0.2151 0.3725 0.2985 ( 4636 PWs) bands (ev): -49.6375 -49.6375 -26.3202 -26.3202 -25.6860 -25.6860 -25.6400 -25.6400 -4.2451 -4.2451 -4.1718 -4.1718 3.4551 3.4551 3.6667 3.6667 5.3044 5.3044 5.3946 5.3946 5.5208 5.5208 6.3772 6.3772 8.9919 8.9919 9.2395 9.2395 9.8281 9.8281 11.0419 11.0419 k = 0.2097 0.3632 0.2985 ( 4636 PWs) bands (ev): -49.6378 -49.6378 -26.3191 -26.3191 -25.6843 -25.6843 -25.6395 -25.6395 -4.2830 -4.2830 -4.1900 -4.1900 3.4634 3.4634 3.7192 3.7192 5.3489 5.3489 5.4431 5.4431 5.4890 5.4890 6.4169 6.4169 8.9837 8.9837 9.2338 9.2338 9.8452 9.8452 11.0333 11.0333 k = 0.2043 0.3539 0.2985 ( 4636 PWs) bands (ev): -49.6382 -49.6382 -26.3179 -26.3179 -25.6826 -25.6826 -25.6390 -25.6390 -4.3221 -4.3221 -4.2084 -4.2084 3.4739 3.4739 3.7752 3.7752 5.3887 5.3887 5.4555 5.4555 5.4969 5.4969 6.4551 6.4551 8.9750 8.9750 9.2290 9.2290 9.8641 9.8641 11.0262 11.0262 k = 0.1989 0.3445 0.2985 ( 4642 PWs) bands (ev): -49.6385 -49.6385 -26.3167 -26.3167 -25.6807 -25.6807 -25.6385 -25.6385 -4.3622 -4.3622 -4.2271 -4.2271 3.4866 3.4866 3.8343 3.8343 5.4052 5.4052 5.4455 5.4455 5.5497 5.5497 6.4915 6.4915 8.9659 8.9659 9.2252 9.2252 9.8847 9.8847 11.0206 11.0206 k = 0.1935 0.3352 0.2985 ( 4642 PWs) bands (ev): -49.6388 -49.6388 -26.3154 -26.3154 -25.6788 -25.6788 -25.6380 -25.6380 -4.4032 -4.4032 -4.2459 -4.2459 3.5017 3.5017 3.8961 3.8961 5.3787 5.3787 5.4753 5.4753 5.6053 5.6053 6.5257 6.5257 8.9565 8.9565 9.2226 9.2226 9.9067 9.9067 11.0165 11.0165 k = 0.1882 0.3259 0.2985 ( 4642 PWs) bands (ev): -49.6392 -49.6392 -26.3142 -26.3142 -25.6769 -25.6769 -25.6374 -25.6374 -4.4448 -4.4448 -4.2649 -4.2649 3.5190 3.5190 3.9601 3.9601 5.3462 5.3462 5.5088 5.5088 5.6629 5.6629 6.5574 6.5574 8.9470 8.9470 9.2211 9.2211 9.9296 9.9296 11.0142 11.0142 k = 0.1828 0.3166 0.2985 ( 4634 PWs) bands (ev): -49.6395 -49.6395 -26.3128 -26.3128 -25.6749 -25.6749 -25.6369 -25.6369 -4.4870 -4.4870 -4.2841 -4.2841 3.5387 3.5387 4.0254 4.0254 5.3137 5.3137 5.5410 5.5410 5.7225 5.7225 6.5863 6.5863 8.9375 8.9375 9.2208 9.2208 9.9530 9.9530 11.0138 11.0138 k = 0.1774 0.3073 0.2985 ( 4630 PWs) bands (ev): -49.6399 -49.6399 -26.3115 -26.3115 -25.6728 -25.6728 -25.6364 -25.6364 -4.5296 -4.5296 -4.3032 -4.3032 3.5608 3.5608 4.0913 4.0913 5.2825 5.2825 5.5714 5.5714 5.7839 5.7839 6.6119 6.6119 8.9282 8.9282 9.2216 9.2216 9.9763 9.9763 11.0157 11.0157 k = 0.1720 0.2980 0.2985 ( 4630 PWs) bands (ev): -49.6402 -49.6402 -26.3102 -26.3102 -25.6707 -25.6707 -25.6359 -25.6359 -4.5725 -4.5725 -4.3224 -4.3224 3.5852 3.5852 4.1568 4.1568 5.2533 5.2533 5.6002 5.6002 5.8470 5.8470 6.6341 6.6341 8.9191 8.9191 9.2234 9.2234 9.9989 9.9989 11.0200 11.0200 k = 0.1667 0.2887 0.2985 ( 4626 PWs) bands (ev): -49.6406 -49.6406 -26.3088 -26.3088 -25.6686 -25.6686 -25.6353 -25.6353 -4.6154 -4.6154 -4.3416 -4.3416 3.6121 3.6121 4.2206 4.2206 5.2272 5.2272 5.6279 5.6279 5.9118 5.9118 6.6525 6.6525 8.9104 8.9104 9.2261 9.2261 10.0202 10.0202 11.0271 11.0271 k = 0.1613 0.2794 0.2985 ( 4622 PWs) bands (ev): -49.6410 -49.6410 -26.3074 -26.3074 -25.6665 -25.6665 -25.6348 -25.6348 -4.6584 -4.6584 -4.3607 -4.3607 3.6413 3.6413 4.2811 4.2811 5.2051 5.2051 5.6550 5.6550 5.9780 5.9780 6.6670 6.6670 8.9020 8.9020 9.2294 9.2294 10.0395 10.0395 11.0373 11.0373 k = 0.1559 0.2701 0.2985 ( 4626 PWs) bands (ev): -49.6414 -49.6414 -26.3060 -26.3060 -25.6643 -25.6643 -25.6342 -25.6342 -4.7011 -4.7011 -4.3797 -4.3797 3.6729 3.6729 4.3365 4.3365 5.1883 5.1883 5.6823 5.6823 6.0456 6.0456 6.6773 6.6773 8.8941 8.8941 9.2330 9.2330 10.0563 10.0563 11.0507 11.0507 k = 0.1505 0.2607 0.2985 ( 4632 PWs) bands (ev): -49.6417 -49.6417 -26.3047 -26.3047 -25.6622 -25.6622 -25.6336 -25.6336 -4.7436 -4.7436 -4.3985 -4.3985 3.7069 3.7069 4.3849 4.3849 5.1778 5.1778 5.7106 5.7106 6.1145 6.1145 6.6832 6.6832 8.8866 8.8866 9.2364 9.2364 10.0700 10.0700 11.0195 11.0195 k = 0.1452 0.2514 0.2985 ( 4636 PWs) bands (ev): -49.6421 -49.6421 -26.3033 -26.3033 -25.6601 -25.6601 -25.6330 -25.6330 -4.7857 -4.7857 -4.4171 -4.4171 3.7431 3.7431 4.4244 4.4244 5.1747 5.1747 5.7412 5.7412 6.1844 6.1844 6.6848 6.6848 8.8796 8.8796 9.2392 9.2392 10.0803 10.0803 10.9862 10.9862 k = 0.1398 0.2421 0.2985 ( 4632 PWs) bands (ev): -49.6425 -49.6425 -26.3019 -26.3019 -25.6580 -25.6580 -25.6323 -25.6323 -4.8272 -4.8272 -4.4355 -4.4355 3.7817 3.7817 4.4534 4.4534 5.1791 5.1791 5.7754 5.7754 6.2552 6.2552 6.6820 6.6820 8.8729 8.8729 9.2408 9.2408 10.0868 10.0868 10.9583 10.9583 k = 0.1344 0.2328 0.2985 ( 4638 PWs) bands (ev): -49.6429 -49.6429 -26.3006 -26.3006 -25.6560 -25.6560 -25.6316 -25.6316 -4.8681 -4.8681 -4.4535 -4.4535 3.8225 3.8225 4.4716 4.4716 5.1902 5.1902 5.8145 5.8145 6.3267 6.3267 6.6750 6.6750 8.8665 8.8665 9.2405 9.2405 10.0894 10.0894 10.9365 10.9365 k = 0.1290 0.2235 0.2985 ( 4638 PWs) bands (ev): -49.6432 -49.6432 -26.2992 -26.2992 -25.6540 -25.6540 -25.6308 -25.6308 -4.9082 -4.9082 -4.4713 -4.4713 3.8656 3.8656 4.4794 4.4794 5.2063 5.2063 5.8599 5.8599 6.3984 6.3984 6.6640 6.6640 8.8603 8.8603 9.2377 9.2377 10.0879 10.0879 10.9214 10.9214 k = 0.1237 0.2142 0.2985 ( 4634 PWs) bands (ev): -49.6436 -49.6436 -26.2979 -26.2979 -25.6522 -25.6522 -25.6299 -25.6299 -4.9474 -4.9474 -4.4886 -4.4886 3.9108 3.9108 4.4782 4.4782 5.2249 5.2249 5.9129 5.9129 6.4693 6.4693 6.6501 6.6501 8.8543 8.8543 9.2320 9.2320 10.0825 10.0825 10.9135 10.9135 k = 0.1183 0.2049 0.2985 ( 4638 PWs) bands (ev): -49.6440 -49.6440 -26.2966 -26.2966 -25.6505 -25.6505 -25.6289 -25.6289 -4.9857 -4.9857 -4.5056 -4.5056 3.9581 3.9581 4.4698 4.4698 5.2437 5.2437 5.9741 5.9741 6.5347 6.5347 6.6379 6.6379 8.8484 8.8484 9.2227 9.2227 10.0732 10.0732 10.9132 10.9132 k = 0.1129 0.1956 0.2985 ( 4634 PWs) bands (ev): -49.6443 -49.6443 -26.2954 -26.2954 -25.6489 -25.6489 -25.6279 -25.6279 -5.0229 -5.0229 -4.5220 -4.5220 4.0075 4.0075 4.4559 4.4559 5.2607 5.2607 6.0438 6.0438 6.5686 6.5686 6.6534 6.6534 8.8424 8.8424 9.2096 9.2096 10.0603 10.0603 10.9206 10.9206 k = 0.1075 0.1862 0.2985 ( 4634 PWs) bands (ev): -49.6447 -49.6447 -26.2942 -26.2942 -25.6475 -25.6475 -25.6267 -25.6267 -5.0590 -5.0590 -4.5380 -4.5380 4.0588 4.0588 4.4381 4.4381 5.2749 5.2749 6.1214 6.1214 6.5548 6.5548 6.7130 6.7130 8.8362 8.8362 9.1924 9.1924 10.0438 10.0438 10.9359 10.9359 k = 0.1022 0.1769 0.2985 ( 4634 PWs) bands (ev): -49.6450 -49.6450 -26.2930 -26.2930 -25.6462 -25.6462 -25.6255 -25.6255 -5.0938 -5.0938 -4.5535 -4.5535 4.1120 4.1120 4.4177 4.4177 5.2859 5.2859 6.2062 6.2062 6.5259 6.5259 6.7841 6.7841 8.8298 8.8298 9.1711 9.1711 10.0241 10.0241 10.9588 10.9588 k = 0.0968 0.1676 0.2985 ( 4646 PWs) bands (ev): -49.6453 -49.6453 -26.2918 -26.2918 -25.6450 -25.6450 -25.6241 -25.6241 -5.1273 -5.1273 -4.5683 -4.5683 4.1670 4.1670 4.3956 4.3956 5.2936 5.2936 6.2966 6.2966 6.4915 6.4915 6.8577 6.8577 8.8229 8.8229 9.1457 9.1457 10.0014 10.0014 10.9888 10.9888 k = 0.0914 0.1583 0.2985 ( 4646 PWs) bands (ev): -49.6456 -49.6456 -26.2908 -26.2908 -25.6440 -25.6440 -25.6227 -25.6227 -5.1594 -5.1594 -4.5826 -4.5826 4.2237 4.2237 4.3726 4.3726 5.2984 5.2984 6.3875 6.3875 6.4576 6.4576 6.9321 6.9321 8.8155 8.8155 9.1166 9.1166 9.9758 9.9758 11.0256 11.0256 k = 0.0860 0.1490 0.2985 ( 4646 PWs) bands (ev): -49.6459 -49.6459 -26.2897 -26.2897 -25.6432 -25.6432 -25.6213 -25.6213 -5.1900 -5.1900 -4.5962 -4.5962 4.2816 4.2816 4.3498 4.3498 5.3007 5.3007 6.3998 6.3998 6.5028 6.5028 7.0065 7.0065 8.8073 8.8073 9.0840 9.0840 9.9478 9.9478 11.0683 11.0683 k = 0.0806 0.1397 0.2985 ( 4642 PWs) bands (ev): -49.6462 -49.6462 -26.2887 -26.2887 -25.6424 -25.6424 -25.6198 -25.6198 -5.2191 -5.2191 -4.6092 -4.6092 4.3212 4.3212 4.3469 4.3469 5.3010 5.3010 6.3563 6.3563 6.6038 6.6038 7.0807 7.0807 8.7981 8.7981 9.0484 9.0484 9.9174 9.9174 11.1162 11.1162 k = 0.0753 0.1304 0.2985 ( 4642 PWs) bands (ev): -49.6465 -49.6465 -26.2878 -26.2878 -25.6418 -25.6418 -25.6183 -25.6183 -5.2466 -5.2466 -4.6215 -4.6215 4.3014 4.3014 4.4054 4.4054 5.2996 5.2996 6.3072 6.3072 6.7095 6.7095 7.1545 7.1545 8.7879 8.7879 9.0100 9.0100 9.8851 9.8851 11.1684 11.1684 k = 0.0699 0.1211 0.2985 ( 4646 PWs) bands (ev): -49.6468 -49.6468 -26.2869 -26.2869 -25.6412 -25.6412 -25.6168 -25.6168 -5.2725 -5.2725 -4.6330 -4.6330 4.2796 4.2796 4.4680 4.4680 5.2971 5.2971 6.2550 6.2550 6.8172 6.8172 7.2276 7.2276 8.7762 8.7762 8.9693 8.9693 9.8511 9.8511 11.2241 11.2241 k = 0.0645 0.1117 0.2985 ( 4650 PWs) bands (ev): -49.6470 -49.6470 -26.2860 -26.2860 -25.6407 -25.6407 -25.6154 -25.6154 -5.2966 -5.2966 -4.6438 -4.6438 4.2586 4.2586 4.5321 4.5321 5.2936 5.2936 6.2001 6.2001 6.9258 6.9258 7.2999 7.2999 8.7630 8.7630 8.9267 8.9267 9.8159 9.8159 11.2824 11.2824 k = 0.0591 0.1024 0.2985 ( 4634 PWs) bands (ev): -49.6473 -49.6473 -26.2853 -26.2853 -25.6403 -25.6403 -25.6140 -25.6140 -5.3190 -5.3190 -4.6538 -4.6538 4.2386 4.2386 4.5974 4.5974 5.2896 5.2896 6.1428 6.1428 7.0344 7.0344 7.3710 7.3710 8.7478 8.7478 8.8825 8.8825 9.7799 9.7799 11.3421 11.3421 k = 0.0538 0.0931 0.2985 ( 4630 PWs) bands (ev): -49.6475 -49.6475 -26.2846 -26.2846 -25.6400 -25.6400 -25.6127 -25.6127 -5.3396 -5.3396 -4.6631 -4.6631 4.2200 4.2200 4.6637 4.6637 5.2852 5.2852 6.0835 6.0835 7.1422 7.1422 7.4409 7.4409 8.7303 8.7303 8.8373 8.8373 9.7435 9.7435 11.4025 11.4025 k = 0.0484 0.0838 0.2985 ( 4626 PWs) bands (ev): -49.6477 -49.6477 -26.2839 -26.2839 -25.6397 -25.6397 -25.6115 -25.6115 -5.3584 -5.3584 -4.6715 -4.6715 4.2028 4.2028 4.7308 4.7308 5.2807 5.2807 6.0225 6.0225 7.2484 7.2484 7.5091 7.5091 8.7103 8.7103 8.7914 8.7914 9.7075 9.7075 11.4622 11.4622 k = 0.0430 0.0745 0.2985 ( 4622 PWs) bands (ev): -49.6478 -49.6478 -26.2833 -26.2833 -25.6394 -25.6394 -25.6103 -25.6103 -5.3753 -5.3753 -4.6791 -4.6791 4.1871 4.1871 4.7986 4.7986 5.2763 5.2763 5.9599 5.9599 7.3521 7.3521 7.5755 7.5755 8.6875 8.6875 8.7453 8.7453 9.6724 9.6724 11.5204 11.5204 k = 0.0376 0.0652 0.2985 ( 4622 PWs) bands (ev): -49.6480 -49.6480 -26.2828 -26.2828 -25.6392 -25.6392 -25.6093 -25.6093 -5.3902 -5.3902 -4.6858 -4.6858 4.1731 4.1731 4.8667 4.8667 5.2721 5.2721 5.8961 5.8961 7.4522 7.4522 7.6396 7.6396 8.6615 8.6615 8.6995 8.6995 9.6390 9.6390 11.5757 11.5757 k = 0.0323 0.0559 0.2985 ( 4606 PWs) bands (ev): -49.6481 -49.6481 -26.2824 -26.2824 -25.6391 -25.6391 -25.6084 -25.6084 -5.4033 -5.4033 -4.6916 -4.6916 4.1608 4.1608 4.9349 4.9349 5.2682 5.2682 5.8316 5.8316 7.5474 7.5474 7.7010 7.7010 8.6325 8.6325 8.6548 8.6548 9.6081 9.6081 11.6269 11.6269 k = 0.0269 0.0466 0.2985 ( 4606 PWs) bands (ev): -49.6483 -49.6483 -26.2820 -26.2820 -25.6389 -25.6389 -25.6076 -25.6076 -5.4143 -5.4143 -4.6966 -4.6966 4.1503 4.1503 5.0026 5.0026 5.2648 5.2648 5.7668 5.7668 7.6359 7.6359 7.7591 7.7591 8.6004 8.6004 8.6123 8.6123 9.5804 9.5804 11.6727 11.6727 k = 0.0215 0.0372 0.2985 ( 4598 PWs) bands (ev): -49.6484 -49.6484 -26.2817 -26.2817 -25.6388 -25.6388 -25.6070 -25.6070 -5.4234 -5.4234 -4.7007 -4.7007 4.1417 4.1417 5.0691 5.0691 5.2621 5.2621 5.7025 5.7025 7.7152 7.7152 7.8134 7.8134 8.5662 8.5662 8.5735 8.5735 9.5567 9.5567 11.7117 11.7117 k = 0.0161 0.0279 0.2985 ( 4596 PWs) bands (ev): -49.6484 -49.6484 -26.2814 -26.2814 -25.6387 -25.6387 -25.6065 -25.6065 -5.4305 -5.4305 -4.7039 -4.7039 4.1349 4.1349 5.1327 5.1327 5.2600 5.2600 5.6404 5.6404 7.7816 7.7816 7.8628 7.8628 8.5329 8.5329 8.5388 8.5388 9.5376 9.5376 11.7422 11.7422 k = 0.0108 0.0186 0.2985 ( 4602 PWs) bands (ev): -49.6485 -49.6485 -26.2813 -26.2813 -25.6387 -25.6387 -25.6061 -25.6061 -5.4356 -5.4356 -4.7062 -4.7062 4.1301 4.1301 5.1901 5.1901 5.2593 5.2593 5.5833 5.5833 7.8313 7.8313 7.9051 7.9051 8.5054 8.5054 8.5091 8.5091 9.5236 9.5236 11.7629 11.7629 k = 0.0054 0.0093 0.2985 ( 4602 PWs) bands (ev): -49.6485 -49.6485 -26.2812 -26.2812 -25.6386 -25.6386 -25.6059 -25.6059 -5.4386 -5.4386 -4.7075 -4.7075 4.1271 4.1271 5.2316 5.2316 5.2623 5.2623 5.5385 5.5385 7.8617 7.8617 7.9351 7.9351 8.4871 8.4871 8.4881 8.4881 9.5150 9.5150 11.7738 11.7738 k = 0.0000 0.0000 0.2985 ( 4590 PWs) bands (ev): -49.6485 -49.6485 -26.2811 -26.2811 -25.6386 -25.6386 -25.6058 -25.6058 -5.4396 -5.4396 -4.7080 -4.7080 4.1262 4.1262 5.2436 5.2436 5.2686 5.2686 5.5201 5.5201 7.8719 7.8719 7.9461 7.9461 8.4799 8.4799 8.4811 8.4811 9.5121 9.5121 11.7770 11.7770 k = 0.5000 0.2887 0.2985 ( 4656 PWs) bands (ev): -49.6358 -49.6358 -26.3284 -26.3284 -25.7032 -25.7032 -25.6326 -25.6326 -4.2152 -4.2152 -3.8441 -3.8441 2.6108 2.6108 3.4707 3.4707 5.1413 5.1413 5.1762 5.1762 6.6936 6.6936 6.7696 6.7696 7.9261 7.9261 9.5518 9.5518 9.9381 9.9381 11.3977 11.3977 k = 0.5000 0.2887 0.2878 ( 4664 PWs) bands (ev): -49.6358 -49.6358 -26.3284 -26.3284 -25.7032 -25.7032 -25.6326 -25.6326 -4.2149 -4.2149 -3.8445 -3.8445 2.6111 2.6111 3.4724 3.4724 5.1410 5.1410 5.1763 5.1763 6.6904 6.6904 6.7675 6.7675 7.9280 7.9280 9.5518 9.5518 9.9382 9.9382 11.3991 11.3991 k = 0.5000 0.2887 0.2771 ( 4662 PWs) bands (ev): -49.6358 -49.6358 -26.3284 -26.3284 -25.7032 -25.7032 -25.6326 -25.6326 -4.2142 -4.2142 -3.8455 -3.8455 2.6119 2.6119 3.4774 3.4774 5.1402 5.1402 5.1769 5.1769 6.6805 6.6805 6.7616 6.7616 7.9334 7.9334 9.5519 9.5519 9.9386 9.9386 11.4033 11.4033 k = 0.5000 0.2887 0.2665 ( 4668 PWs) bands (ev): -49.6358 -49.6358 -26.3284 -26.3284 -25.7032 -25.7032 -25.6326 -25.6326 -4.2131 -4.2131 -3.8472 -3.8472 2.6132 2.6132 3.4858 3.4858 5.1386 5.1386 5.1780 5.1780 6.6632 6.6632 6.7529 6.7529 7.9420 7.9420 9.5520 9.5520 9.9391 9.9391 11.4103 11.4103 k = 0.5000 0.2887 0.2558 ( 4668 PWs) bands (ev): -49.6358 -49.6358 -26.3284 -26.3284 -25.7032 -25.7032 -25.6326 -25.6326 -4.2114 -4.2114 -3.8496 -3.8496 2.6150 2.6150 3.4974 3.4974 5.1360 5.1360 5.1800 5.1800 6.6382 6.6382 6.7424 6.7424 7.9535 7.9535 9.5521 9.5521 9.9399 9.9399 11.4200 11.4200 k = 0.5000 0.2887 0.2452 ( 4668 PWs) bands (ev): -49.6358 -49.6358 -26.3284 -26.3284 -25.7032 -25.7032 -25.6326 -25.6326 -4.2093 -4.2093 -3.8526 -3.8526 2.6173 2.6173 3.5123 3.5123 5.1324 5.1324 5.1829 5.1829 6.6054 6.6054 6.7309 6.7309 7.9672 7.9672 9.5523 9.5523 9.9408 9.9408 11.4322 11.4322 k = 0.5000 0.2887 0.2345 ( 4662 PWs) bands (ev): -49.6358 -49.6358 -26.3284 -26.3284 -25.7032 -25.7032 -25.6326 -25.6326 -4.2067 -4.2067 -3.8563 -3.8563 2.6202 2.6202 3.5303 3.5303 5.1277 5.1277 5.1868 5.1868 6.5656 6.5656 6.7184 6.7184 7.9827 7.9827 9.5524 9.5524 9.9420 9.9420 11.4470 11.4470 k = 0.5000 0.2887 0.2238 ( 4662 PWs) bands (ev): -49.6358 -49.6358 -26.3284 -26.3284 -25.7032 -25.7032 -25.6326 -25.6326 -4.2037 -4.2037 -3.8606 -3.8606 2.6235 2.6235 3.5514 3.5514 5.1219 5.1219 5.1917 5.1917 6.5196 6.5196 6.7049 6.7049 7.9993 7.9993 9.5526 9.5526 9.9433 9.9433 11.4640 11.4640 k = 0.5000 0.2887 0.2132 ( 4658 PWs) bands (ev): -49.6358 -49.6358 -26.3284 -26.3284 -25.7032 -25.7032 -25.6326 -25.6326 -4.2002 -4.2002 -3.8655 -3.8655 2.6272 2.6272 3.5755 3.5755 5.1152 5.1152 5.1976 5.1976 6.4683 6.4683 6.6904 6.6904 8.0165 8.0165 9.5528 9.5528 9.9447 9.9447 11.4830 11.4830 k = 0.5000 0.2887 0.2025 ( 4652 PWs) bands (ev): -49.6358 -49.6358 -26.3284 -26.3284 -25.7032 -25.7032 -25.6326 -25.6326 -4.1963 -4.1963 -3.8710 -3.8710 2.6314 2.6314 3.6024 3.6024 5.1077 5.1077 5.2043 5.2043 6.4125 6.4125 6.6750 6.6750 8.0340 8.0340 9.5531 9.5531 9.9463 9.9463 11.5040 11.5040 k = 0.5000 0.2887 0.1919 ( 4652 PWs) bands (ev): -49.6358 -49.6358 -26.3284 -26.3284 -25.7032 -25.7032 -25.6326 -25.6326 -4.1919 -4.1919 -3.8770 -3.8770 2.6359 2.6359 3.6320 3.6320 5.0996 5.0996 5.2118 5.2118 6.3529 6.3529 6.6586 6.6586 8.0513 8.0513 9.5533 9.5533 9.9479 9.9479 11.5266 11.5266 k = 0.5000 0.2887 0.1812 ( 4656 PWs) bands (ev): -49.6358 -49.6358 -26.3284 -26.3284 -25.7032 -25.7032 -25.6326 -25.6326 -4.1872 -4.1872 -3.8836 -3.8836 2.6408 2.6408 3.6641 3.6641 5.0910 5.0910 5.2200 5.2200 6.2902 6.2902 6.6415 6.6415 8.0681 8.0681 9.5536 9.5536 9.9496 9.9496 11.5506 11.5506 k = 0.5000 0.2887 0.1705 ( 4656 PWs) bands (ev): -49.6358 -49.6358 -26.3284 -26.3284 -25.7032 -25.7032 -25.6326 -25.6326 -4.1820 -4.1820 -3.8906 -3.8906 2.6459 2.6459 3.6986 3.6986 5.0821 5.0821 5.2288 5.2288 6.2249 6.2249 6.6237 6.6237 8.0842 8.0842 9.5538 9.5538 9.9514 9.9514 11.5757 11.5757 k = 0.5000 0.2887 0.1599 ( 4648 PWs) bands (ev): -49.6358 -49.6358 -26.3284 -26.3284 -25.7032 -25.7032 -25.6326 -25.6326 -4.1764 -4.1764 -3.8981 -3.8981 2.6513 2.6513 3.7353 3.7353 5.0731 5.0731 5.2380 5.2380 6.1577 6.1577 6.6054 6.6054 8.0995 8.0995 9.5541 9.5541 9.9531 9.9531 11.6016 11.6016 k = 0.5000 0.2887 0.1492 ( 4634 PWs) bands (ev): -49.6358 -49.6358 -26.3284 -26.3284 -25.7032 -25.7032 -25.6326 -25.6326 -4.1704 -4.1704 -3.9059 -3.9059 2.6568 2.6568 3.7739 3.7739 5.0642 5.0642 5.2476 5.2476 6.0889 6.0889 6.5867 6.5867 8.1138 8.1138 9.5543 9.5543 9.9549 9.9549 11.6281 11.6281 k = 0.5000 0.2887 0.1386 ( 4638 PWs) bands (ev): -49.6358 -49.6358 -26.3284 -26.3284 -25.7032 -25.7032 -25.6326 -25.6326 -4.1640 -4.1640 -3.9142 -3.9142 2.6624 2.6624 3.8141 3.8141 5.0556 5.0556 5.2575 5.2575 6.0192 6.0192 6.5680 6.5680 8.1270 8.1270 9.5546 9.5546 9.9567 9.9567 11.6547 11.6547 k = 0.5000 0.2887 0.1279 ( 4648 PWs) bands (ev): -49.6358 -49.6358 -26.3284 -26.3284 -25.7032 -25.7032 -25.6326 -25.6326 -4.1573 -4.1573 -3.9227 -3.9227 2.6681 2.6681 3.8556 3.8556 5.0475 5.0475 5.2675 5.2675 5.9490 5.9490 6.5494 6.5494 8.1391 8.1391 9.5548 9.5548 9.9584 9.9584 11.6811 11.6811 k = 0.5000 0.2887 0.1172 ( 4652 PWs) bands (ev): -49.6358 -49.6358 -26.3284 -26.3284 -25.7032 -25.7032 -25.6326 -25.6326 -4.1503 -4.1503 -3.9316 -3.9316 2.6737 2.6737 3.8981 3.8981 5.0402 5.0402 5.2775 5.2775 5.8787 5.8787 6.5311 6.5311 8.1501 8.1501 9.5550 9.5550 9.9600 9.9600 11.7071 11.7071 k = 0.5000 0.2887 0.1066 ( 4638 PWs) bands (ev): -49.6358 -49.6358 -26.3284 -26.3284 -25.7032 -25.7032 -25.6326 -25.6326 -4.1430 -4.1430 -3.9406 -3.9406 2.6791 2.6791 3.9411 3.9411 5.0338 5.0338 5.2874 5.2874 5.8089 5.8089 6.5133 6.5133 8.1599 8.1599 9.5552 9.5552 9.9615 9.9615 11.7323 11.7323 k = 0.5000 0.2887 0.0959 ( 4642 PWs) bands (ev): -49.6358 -49.6358 -26.3284 -26.3284 -25.7032 -25.7032 -25.6326 -25.6326 -4.1354 -4.1354 -3.9499 -3.9499 2.6844 2.6844 3.9841 3.9841 5.0288 5.0288 5.2970 5.2970 5.7400 5.7400 6.4963 6.4963 8.1686 8.1686 9.5554 9.5554 9.9630 9.9630 11.7562 11.7562 k = 0.5000 0.2887 0.0853 ( 4636 PWs) bands (ev): -49.6358 -49.6358 -26.3284 -26.3284 -25.7032 -25.7032 -25.6325 -25.6325 -4.1276 -4.1276 -3.9592 -3.9592 2.6893 2.6893 4.0265 4.0265 5.0253 5.0253 5.3062 5.3062 5.6728 5.6728 6.4802 6.4802 8.1763 8.1763 9.5556 9.5556 9.9643 9.9643 11.7787 11.7787 k = 0.5000 0.2887 0.0746 ( 4644 PWs) bands (ev): -49.6358 -49.6358 -26.3284 -26.3284 -25.7032 -25.7032 -25.6325 -25.6325 -4.1197 -4.1197 -3.9685 -3.9685 2.6939 2.6939 4.0676 4.0676 5.0237 5.0237 5.3148 5.3148 5.6078 5.6078 6.4654 6.4654 8.1829 8.1829 9.5557 9.5557 9.9655 9.9655 11.7985 11.7985 k = 0.5000 0.2887 0.0640 ( 4638 PWs) bands (ev): -49.6358 -49.6358 -26.3284 -26.3284 -25.7032 -25.7032 -25.6325 -25.6325 -4.1116 -4.1116 -3.9778 -3.9778 2.6980 2.6980 4.1064 4.1064 5.0242 5.0242 5.3227 5.3227 5.5459 5.5459 6.4521 6.4521 8.1886 8.1886 9.5559 9.5559 9.9665 9.9665 11.7912 11.7912 k = 0.5000 0.2887 0.0533 ( 4642 PWs) bands (ev): -49.6358 -49.6358 -26.3284 -26.3284 -25.7032 -25.7032 -25.6325 -25.6325 -4.1036 -4.1036 -3.9869 -3.9869 2.7017 2.7017 4.1420 4.1420 5.0269 5.0269 5.3296 5.3296 5.4881 5.4881 6.4404 6.4404 8.1932 8.1932 9.5560 9.5560 9.9675 9.9675 11.7744 11.7744 k = 0.5000 0.2887 0.0426 ( 4650 PWs) bands (ev): -49.6358 -49.6358 -26.3284 -26.3284 -25.7032 -25.7032 -25.6325 -25.6325 -4.0958 -4.0958 -3.9956 -3.9956 2.7047 2.7047 4.1734 4.1734 5.0319 5.0319 5.3355 5.3355 5.4356 5.4356 6.4305 6.4305 8.1970 8.1970 9.5561 9.5561 9.9682 9.9682 11.7603 11.7603 k = 0.5000 0.2887 0.0320 ( 4650 PWs) bands (ev): -49.6358 -49.6358 -26.3284 -26.3284 -25.7032 -25.7032 -25.6325 -25.6325 -4.0885 -4.0885 -4.0036 -4.0036 2.7071 2.7071 4.1994 4.1994 5.0385 5.0385 5.3402 5.3402 5.3903 5.3903 6.4226 6.4226 8.1999 8.1999 9.5561 9.5561 9.9688 9.9688 11.7492 11.7492 k = 0.5000 0.2887 0.0213 ( 4650 PWs) bands (ev): -49.6358 -49.6358 -26.3284 -26.3284 -25.7032 -25.7032 -25.6325 -25.6325 -4.0823 -4.0823 -4.0104 -4.0104 2.7089 2.7089 4.2189 4.2189 5.0458 5.0458 5.3434 5.3434 5.3547 5.3547 6.4169 6.4169 8.2019 8.2019 9.5562 9.5562 9.9692 9.9692 11.7412 11.7412 k = 0.5000 0.2887 0.0107 ( 4652 PWs) bands (ev): -49.6358 -49.6358 -26.3284 -26.3284 -25.7032 -25.7032 -25.6325 -25.6325 -4.0778 -4.0778 -4.0151 -4.0151 2.7100 2.7100 4.2310 4.2310 5.0517 5.0517 5.3306 5.3306 5.3461 5.3461 6.4134 6.4134 8.2032 8.2032 9.5562 9.5562 9.9695 9.9695 11.7364 11.7364 k = 0.5000 0.2887-0.0000 ( 4646 PWs) bands (ev): -49.6358 -49.6358 -26.3284 -26.3284 -25.7032 -25.7032 -25.6325 -25.6325 -4.0762 -4.0762 -4.0169 -4.0169 2.7103 2.7103 4.2351 4.2351 5.0540 5.0540 5.3224 5.3224 5.3468 5.3468 6.4123 6.4123 8.2036 8.2036 9.5562 9.5562 9.9696 9.9696 11.7348 11.7348 k = 0.3333 0.5774-0.0000 ( 4629 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7016 -25.7016 -25.6485 -25.6485 -3.9015 -3.9015 -3.8947 -3.8947 3.6740 3.6740 3.8399 3.8399 3.8630 3.8630 5.3284 5.3284 5.3327 5.3327 5.6249 5.6249 9.1809 9.1809 9.7984 9.7984 9.8284 9.8284 11.0049 11.0049 k = 0.3333 0.5774 0.0107 ( 4641 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7016 -25.7016 -25.6485 -25.6485 -3.9015 -3.9015 -3.8947 -3.8947 3.6750 3.6750 3.8388 3.8388 3.8618 3.8618 5.3300 5.3300 5.3343 5.3343 5.6231 5.6231 9.1810 9.1810 9.7971 9.7971 9.8270 9.8270 11.0071 11.0072 k = 0.3333 0.5774 0.0213 ( 4635 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7016 -25.7016 -25.6485 -25.6485 -3.9014 -3.9014 -3.8946 -3.8946 3.6779 3.6779 3.8354 3.8354 3.8583 3.8583 5.3349 5.3349 5.3390 5.3390 5.6179 5.6179 9.1812 9.1812 9.7932 9.7932 9.8230 9.8230 11.0138 11.0138 k = 0.3333 0.5774 0.0320 ( 4635 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7016 -25.7016 -25.6485 -25.6485 -3.9014 -3.9014 -3.8946 -3.8946 3.6827 3.6827 3.8300 3.8300 3.8526 3.8526 5.3428 5.3428 5.3467 5.3467 5.6093 5.6093 9.1815 9.1815 9.7867 9.7867 9.8164 9.8164 11.0247 11.0250 k = 0.3333 0.5774 0.0426 ( 4635 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7016 -25.7016 -25.6485 -25.6485 -3.9013 -3.9013 -3.8945 -3.8945 3.6894 3.6894 3.8225 3.8225 3.8449 3.8449 5.3537 5.3537 5.3573 5.3573 5.5974 5.5974 9.1819 9.1819 9.7779 9.7779 9.8075 9.8075 11.0397 11.0397 k = 0.3333 0.5774 0.0533 ( 4647 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7016 -25.7016 -25.6485 -25.6485 -3.9012 -3.9012 -3.8944 -3.8944 3.6980 3.6980 3.8133 3.8133 3.8352 3.8352 5.3673 5.3673 5.3705 5.3705 5.5822 5.5822 9.1825 9.1825 9.7670 9.7670 9.7964 9.7964 11.0585 11.0585 k = 0.3333 0.5774 0.0640 ( 4647 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7016 -25.7016 -25.6485 -25.6485 -3.9010 -3.9010 -3.8943 -3.8943 3.7084 3.7084 3.8023 3.8023 3.8239 3.8239 5.3833 5.3833 5.3862 5.3862 5.5640 5.5640 9.1831 9.1831 9.7542 9.7542 9.7834 9.7834 11.0808 11.0809 k = 0.3333 0.5774 0.0746 ( 4641 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7016 -25.7016 -25.6485 -25.6485 -3.9009 -3.9009 -3.8941 -3.8941 3.7206 3.7206 3.7900 3.7900 3.8111 3.8111 5.4013 5.4013 5.4041 5.4041 5.5430 5.5430 9.1838 9.1838 9.7399 9.7399 9.7689 9.7689 11.1064 11.1067 k = 0.3333 0.5774 0.0853 ( 4638 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7016 -25.7016 -25.6485 -25.6485 -3.9007 -3.9007 -3.8940 -3.8940 3.7345 3.7345 3.7765 3.7765 3.7971 3.7971 5.4210 5.4210 5.4238 5.4238 5.5195 5.5195 9.1846 9.1846 9.7242 9.7242 9.7530 9.7530 11.1347 11.1347 k = 0.3333 0.5774 0.0959 ( 4644 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7016 -25.7016 -25.6485 -25.6485 -3.9005 -3.9005 -3.8938 -3.8938 3.7499 3.7499 3.7621 3.7621 3.7824 3.7824 5.4410 5.4410 5.4450 5.4450 5.4946 5.4946 9.1855 9.1855 9.7076 9.7076 9.7361 9.7361 11.1655 11.1655 k = 0.3333 0.5774 0.1066 ( 4635 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7016 -25.7016 -25.6485 -25.6485 -3.9003 -3.9003 -3.8936 -3.8936 3.7470 3.7470 3.7626 3.7626 3.7714 3.7714 5.4505 5.4505 5.4675 5.4675 5.4790 5.4790 9.1864 9.1864 9.6901 9.6901 9.7185 9.7185 11.1984 11.1987 k = 0.3333 0.5774 0.1172 ( 4647 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7016 -25.7016 -25.6485 -25.6485 -3.9001 -3.9001 -3.8935 -3.8935 3.7314 3.7314 3.7495 3.7495 3.7872 3.7872 5.4274 5.4274 5.4908 5.4908 5.4949 5.4949 9.1874 9.1874 9.6723 9.6723 9.7005 9.7005 11.2330 11.2330 k = 0.3333 0.5774 0.1279 ( 4641 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7016 -25.7016 -25.6485 -25.6485 -3.8999 -3.8999 -3.8933 -3.8933 3.7155 3.7155 3.7333 3.7333 3.8073 3.8073 5.3958 5.3958 5.5148 5.5148 5.5180 5.5180 9.1883 9.1883 9.6541 9.6541 9.6822 9.6822 11.2688 11.2688 k = 0.3333 0.5774 0.1386 ( 4653 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7016 -25.7016 -25.6485 -25.6485 -3.8997 -3.8997 -3.8930 -3.8930 3.6997 3.6997 3.7170 3.7170 3.8289 3.8289 5.3616 5.3616 5.5390 5.5390 5.5423 5.5423 9.1894 9.1894 9.6360 9.6360 9.6640 9.6640 11.3057 11.3057 k = 0.3333 0.5774 0.1492 ( 4653 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7016 -25.7016 -25.6485 -25.6485 -3.8995 -3.8995 -3.8928 -3.8928 3.6840 3.6840 3.7009 3.7009 3.8518 3.8518 5.3260 5.3260 5.5632 5.5632 5.5669 5.5669 9.1904 9.1904 9.6181 9.6181 9.6459 9.6459 11.3431 11.3432 k = 0.3333 0.5774 0.1599 ( 4650 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7016 -25.7016 -25.6485 -25.6485 -3.8993 -3.8993 -3.8926 -3.8926 3.6687 3.6687 3.6851 3.6851 3.8757 3.8757 5.2892 5.2892 5.5871 5.5871 5.5911 5.5911 9.1914 9.1914 9.6006 9.6006 9.6283 9.6283 11.3804 11.3804 k = 0.3333 0.5774 0.1705 ( 4647 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7016 -25.7016 -25.6485 -25.6485 -3.8990 -3.8990 -3.8924 -3.8924 3.6539 3.6539 3.6698 3.6698 3.9005 3.9005 5.2518 5.2518 5.6104 5.6104 5.6149 5.6149 9.1923 9.1923 9.5836 9.5836 9.6113 9.6113 11.4173 11.4173 k = 0.3333 0.5774 0.1812 ( 4641 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7016 -25.7016 -25.6485 -25.6485 -3.8988 -3.8988 -3.8922 -3.8922 3.6398 3.6398 3.6553 3.6553 3.9260 3.9260 5.2141 5.2141 5.6329 5.6329 5.6378 5.6378 9.1933 9.1933 9.5674 9.5674 9.5951 9.5951 11.4535 11.4535 k = 0.3333 0.5774 0.1919 ( 4641 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7016 -25.7016 -25.6485 -25.6485 -3.8986 -3.8986 -3.8920 -3.8920 3.6265 3.6265 3.6416 3.6416 3.9519 3.9519 5.1766 5.1766 5.6543 5.6543 5.6595 5.6595 9.1942 9.1942 9.5522 9.5522 9.5798 9.5798 11.4887 11.4887 k = 0.3333 0.5774 0.2025 ( 4641 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7016 -25.7016 -25.6485 -25.6485 -3.8984 -3.8984 -3.8919 -3.8919 3.6141 3.6141 3.6288 3.6288 3.9778 3.9778 5.1396 5.1396 5.6743 5.6743 5.6800 5.6800 9.1950 9.1950 9.5379 9.5379 9.5655 9.5655 11.5223 11.5223 k = 0.3333 0.5774 0.2132 ( 4656 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7016 -25.7016 -25.6485 -25.6485 -3.8982 -3.8982 -3.8917 -3.8917 3.6028 3.6028 3.6171 3.6171 4.0035 4.0035 5.1037 5.1037 5.6929 5.6929 5.6989 5.6989 9.1958 9.1958 9.5248 9.5248 9.5523 9.5523 11.5540 11.5540 k = 0.3333 0.5774 0.2238 ( 4656 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7016 -25.7016 -25.6485 -25.6485 -3.8981 -3.8981 -3.8915 -3.8915 3.5926 3.5926 3.6066 3.6066 4.0284 4.0284 5.0695 5.0695 5.7097 5.7097 5.7160 5.7160 9.1965 9.1965 9.5130 9.5130 9.5405 9.5405 11.5833 11.5833 k = 0.3333 0.5774 0.2345 ( 4656 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7016 -25.7016 -25.6485 -25.6485 -3.8979 -3.8979 -3.8914 -3.8914 3.5835 3.5835 3.5973 3.5973 4.0521 4.0521 5.0376 5.0376 5.7247 5.7247 5.7313 5.7313 9.1971 9.1971 9.5025 9.5025 9.5300 9.5300 11.6098 11.6098 k = 0.3333 0.5774 0.2452 ( 4656 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7016 -25.7016 -25.6485 -25.6485 -3.8978 -3.8978 -3.8913 -3.8913 3.5758 3.5758 3.5894 3.5894 4.0738 4.0738 5.0087 5.0087 5.7376 5.7376 5.7444 5.7444 9.1976 9.1976 9.4935 9.4935 9.5210 9.5210 11.6330 11.6330 k = 0.3333 0.5774 0.2558 ( 4668 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7016 -25.7016 -25.6485 -25.6485 -3.8977 -3.8977 -3.8912 -3.8912 3.5694 3.5694 3.5828 3.5828 4.0931 4.0931 4.9835 4.9835 5.7483 5.7483 5.7553 5.7553 9.1981 9.1981 9.4860 9.4860 9.5136 9.5136 11.6526 11.6526 k = 0.3333 0.5774 0.2665 ( 4659 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7016 -25.7016 -25.6485 -25.6485 -3.8976 -3.8976 -3.8911 -3.8911 3.5643 3.5643 3.5776 3.5776 4.1091 4.1091 4.9628 4.9628 5.7568 5.7568 5.7640 5.7640 9.1984 9.1984 9.4802 9.4802 9.5077 9.5077 11.6683 11.6683 k = 0.3333 0.5774 0.2771 ( 4653 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7016 -25.7016 -25.6485 -25.6485 -3.8975 -3.8975 -3.8910 -3.8910 3.5607 3.5607 3.5739 3.5739 4.1212 4.1212 4.9473 4.9473 5.7629 5.7629 5.7702 5.7702 9.1987 9.1987 9.4759 9.4759 9.5035 9.5035 11.6797 11.6797 k = 0.3333 0.5774 0.2878 ( 4650 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7016 -25.7016 -25.6485 -25.6485 -3.8975 -3.8975 -3.8910 -3.8910 3.5585 3.5585 3.5716 3.5716 4.1287 4.1287 4.9378 4.9378 5.7666 5.7666 5.7740 5.7740 9.1988 9.1988 9.4734 9.4734 9.5009 9.5009 11.6866 11.6866 k = 0.3333 0.5774 0.2985 ( 4656 PWs) bands (ev): -49.6343 -49.6343 -26.3316 -26.3316 -25.7016 -25.7016 -25.6485 -25.6485 -3.8975 -3.8975 -3.8910 -3.8910 3.5578 3.5578 3.5709 3.5709 4.1313 4.1313 4.9345 4.9345 5.7678 5.7678 5.7752 5.7752 9.1989 9.1989 9.4725 9.4725 9.5001 9.5001 11.6889 11.6889 Writing output data file TiS2.save init_run : 0.16s CPU 0.30s WALL ( 1 calls) electrons : 117.69s CPU 119.84s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 117.68s CPU 119.83s 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 : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.05s WALL ( 387 calls) cegterg : 109.60s CPU 111.37s WALL ( 481 calls) Called by sum_band: Called by *egterg: h_psi : 66.76s CPU 68.55s WALL ( 8803 calls) s_psi : 2.47s CPU 2.57s WALL ( 8803 calls) g_psi : 0.21s CPU 0.25s WALL ( 7935 calls) cdiaghg : 33.05s CPU 33.03s WALL ( 8322 calls) cegterg:over : 4.26s CPU 4.36s WALL ( 7935 calls) cegterg:upda : 3.51s CPU 3.62s WALL ( 7935 calls) cegterg:last : 2.46s CPU 2.46s WALL ( 1796 calls) cdiaghg:chol : 1.79s CPU 1.85s WALL ( 8322 calls) cdiaghg:inve : 0.87s CPU 0.90s WALL ( 8322 calls) cdiaghg:para : 1.77s CPU 1.89s WALL ( 16644 calls) Called by h_psi: h_psi:vloc : 58.75s CPU 60.57s WALL ( 8803 calls) h_psi:vnl : 7.84s CPU 7.79s WALL ( 8803 calls) add_vuspsi : 4.20s CPU 4.12s WALL ( 8803 calls) General routines calbec : 3.61s CPU 3.65s WALL ( 8803 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 55.73s CPU 57.38s WALL ( 714256 calls) davcio : 0.14s CPU 0.18s WALL ( 774 calls) Parallel routines fft_scatter : 21.44s CPU 21.71s WALL ( 714271 calls) PWSCF : 2m10.22s CPU 2m29.95s WALL This run was terminated on: 21:14: 3 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=