Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:35:37 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: ./CrSe2.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 1067 1067 167 Max 26 26 9 1074 1074 174 Sum 913 913 265 38547 38547 6059 bravais-lattice index = 14 lattice parameter (alat) = 6.4232 a.u. unit-cell volume = 399.3781 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 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)= 6.423179 celldm(2)= 1.000000 celldm(3)= 1.740218 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 1.740218 ) 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 0.574641 ) PseudoPot. # 1 for Cr read from file: /users/gautes/Pseudo/Cr.rel-pbe-oncvpsp.UPF MD5 check sum: 05b5af6f30ea3763d55f309fcccb1da3 Pseudo is Norm-conserving, Zval = 14.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1638 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 PseudoPot. # 2 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d 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 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cr 14.00 51.99610 Cr( 1.00) Se 6.00 78.96000 Se( 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= 384 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 2) = ( 0.0092593 0.0053458 -0.0000000), wk = 0.0026042 k( 3) = ( 0.0185185 0.0106917 -0.0000000), wk = 0.0026042 k( 4) = ( 0.0277778 0.0160375 -0.0000000), wk = 0.0026042 k( 5) = ( 0.0370370 0.0213833 -0.0000000), wk = 0.0026042 k( 6) = ( 0.0462963 0.0267292 -0.0000000), wk = 0.0026042 k( 7) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0026042 k( 8) = ( 0.0648148 0.0374208 -0.0000000), wk = 0.0026042 k( 9) = ( 0.0740741 0.0427667 -0.0000000), wk = 0.0026042 k( 10) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0026042 k( 11) = ( 0.0925926 0.0534584 -0.0000000), wk = 0.0026042 k( 12) = ( 0.1018518 0.0588042 -0.0000000), wk = 0.0026042 k( 13) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0026042 k( 14) = ( 0.1203704 0.0694959 -0.0000000), wk = 0.0026042 k( 15) = ( 0.1296296 0.0748417 -0.0000000), wk = 0.0026042 k( 16) = ( 0.1388889 0.0801875 -0.0000000), wk = 0.0026042 k( 17) = ( 0.1481482 0.0855334 -0.0000000), wk = 0.0026042 k( 18) = ( 0.1574074 0.0908792 -0.0000000), wk = 0.0026042 k( 19) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0026042 k( 20) = ( 0.1759259 0.1015709 -0.0000000), wk = 0.0026042 k( 21) = ( 0.1851852 0.1069167 -0.0000000), wk = 0.0026042 k( 22) = ( 0.1944444 0.1122625 -0.0000000), wk = 0.0026042 k( 23) = ( 0.2037037 0.1176084 -0.0000000), wk = 0.0026042 k( 24) = ( 0.2129630 0.1229542 -0.0000000), wk = 0.0026042 k( 25) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0026042 k( 26) = ( 0.2314815 0.1336459 -0.0000000), wk = 0.0026042 k( 27) = ( 0.2407407 0.1389917 -0.0000000), wk = 0.0026042 k( 28) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0026042 k( 29) = ( 0.2592593 0.1496834 -0.0000000), wk = 0.0026042 k( 30) = ( 0.2685185 0.1550292 -0.0000000), wk = 0.0026042 k( 31) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0026042 k( 32) = ( 0.2870370 0.1657209 -0.0000000), wk = 0.0026042 k( 33) = ( 0.2962963 0.1710667 -0.0000000), wk = 0.0026042 k( 34) = ( 0.3055556 0.1764126 -0.0000000), wk = 0.0026042 k( 35) = ( 0.3148148 0.1817584 -0.0000000), wk = 0.0026042 k( 36) = ( 0.3240741 0.1871043 -0.0000000), wk = 0.0026042 k( 37) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0026042 k( 38) = ( 0.3425926 0.1977959 -0.0000000), wk = 0.0026042 k( 39) = ( 0.3518519 0.2031418 -0.0000000), wk = 0.0026042 k( 40) = ( 0.3611111 0.2084876 -0.0000000), wk = 0.0026042 k( 41) = ( 0.3703704 0.2138334 -0.0000000), wk = 0.0026042 k( 42) = ( 0.3796296 0.2191793 -0.0000000), wk = 0.0026042 k( 43) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0026042 k( 44) = ( 0.3981481 0.2298709 -0.0000000), wk = 0.0026042 k( 45) = ( 0.4074074 0.2352168 -0.0000000), wk = 0.0026042 k( 46) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0026042 k( 47) = ( 0.4259259 0.2459085 -0.0000000), wk = 0.0026042 k( 48) = ( 0.4351852 0.2512543 -0.0000000), wk = 0.0026042 k( 49) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0026042 k( 50) = ( 0.4537037 0.2619460 -0.0000000), wk = 0.0026042 k( 51) = ( 0.4629630 0.2672918 -0.0000000), wk = 0.0026042 k( 52) = ( 0.4722222 0.2726376 -0.0000000), wk = 0.0026042 k( 53) = ( 0.4814815 0.2779835 -0.0000000), wk = 0.0026042 k( 54) = ( 0.4907407 0.2833293 -0.0000000), wk = 0.0026042 k( 55) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026042 k( 56) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026042 k( 57) = ( 0.4946237 0.2979872 -0.0000000), wk = 0.0026042 k( 58) = ( 0.4892473 0.3072993 -0.0000000), wk = 0.0026042 k( 59) = ( 0.4838710 0.3166114 -0.0000000), wk = 0.0026042 k( 60) = ( 0.4784946 0.3259235 -0.0000000), wk = 0.0026042 k( 61) = ( 0.4731183 0.3352356 -0.0000000), wk = 0.0026042 k( 62) = ( 0.4677419 0.3445477 -0.0000000), wk = 0.0026042 k( 63) = ( 0.4623656 0.3538598 -0.0000000), wk = 0.0026042 k( 64) = ( 0.4569893 0.3631720 -0.0000000), wk = 0.0026042 k( 65) = ( 0.4516129 0.3724840 -0.0000000), wk = 0.0026042 k( 66) = ( 0.4462366 0.3817961 -0.0000000), wk = 0.0026042 k( 67) = ( 0.4408602 0.3911082 -0.0000000), wk = 0.0026042 k( 68) = ( 0.4354839 0.4004203 -0.0000000), wk = 0.0026042 k( 69) = ( 0.4301075 0.4097325 -0.0000000), wk = 0.0026042 k( 70) = ( 0.4247312 0.4190445 -0.0000000), wk = 0.0026042 k( 71) = ( 0.4193548 0.4283566 -0.0000000), wk = 0.0026042 k( 72) = ( 0.4139785 0.4376687 -0.0000000), wk = 0.0026042 k( 73) = ( 0.4086021 0.4469809 -0.0000000), wk = 0.0026042 k( 74) = ( 0.4032258 0.4562930 -0.0000000), wk = 0.0026042 k( 75) = ( 0.3978495 0.4656051 -0.0000000), wk = 0.0026042 k( 76) = ( 0.3924731 0.4749172 -0.0000000), wk = 0.0026042 k( 77) = ( 0.3870968 0.4842293 -0.0000000), wk = 0.0026042 k( 78) = ( 0.3817204 0.4935414 -0.0000000), wk = 0.0026042 k( 79) = ( 0.3763441 0.5028535 -0.0000000), wk = 0.0026042 k( 80) = ( 0.3709677 0.5121656 -0.0000000), wk = 0.0026042 k( 81) = ( 0.3655914 0.5214777 -0.0000000), wk = 0.0026042 k( 82) = ( 0.3602150 0.5307898 -0.0000000), wk = 0.0026042 k( 83) = ( 0.3548387 0.5401019 -0.0000000), wk = 0.0026042 k( 84) = ( 0.3494624 0.5494140 -0.0000000), wk = 0.0026042 k( 85) = ( 0.3440860 0.5587261 -0.0000000), wk = 0.0026042 k( 86) = ( 0.3387097 0.5680382 -0.0000000), wk = 0.0026042 k( 87) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026042 k( 88) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026042 k( 89) = ( 0.3279570 0.5680382 -0.0000000), wk = 0.0026042 k( 90) = ( 0.3225807 0.5587261 -0.0000000), wk = 0.0026042 k( 91) = ( 0.3172043 0.5494140 -0.0000000), wk = 0.0026042 k( 92) = ( 0.3118280 0.5401019 -0.0000000), wk = 0.0026042 k( 93) = ( 0.3064516 0.5307898 -0.0000000), wk = 0.0026042 k( 94) = ( 0.3010753 0.5214777 -0.0000000), wk = 0.0026042 k( 95) = ( 0.2956989 0.5121656 -0.0000000), wk = 0.0026042 k( 96) = ( 0.2903226 0.5028535 -0.0000000), wk = 0.0026042 k( 97) = ( 0.2849462 0.4935414 -0.0000000), wk = 0.0026042 k( 98) = ( 0.2795699 0.4842293 -0.0000000), wk = 0.0026042 k( 99) = ( 0.2741936 0.4749172 -0.0000000), wk = 0.0026042 k( 100) = ( 0.2688172 0.4656050 -0.0000000), wk = 0.0026042 k( 101) = ( 0.2634409 0.4562930 -0.0000000), wk = 0.0026042 k( 102) = ( 0.2580645 0.4469809 -0.0000000), wk = 0.0026042 k( 103) = ( 0.2526882 0.4376687 -0.0000000), wk = 0.0026042 k( 104) = ( 0.2473118 0.4283567 -0.0000000), wk = 0.0026042 k( 105) = ( 0.2419355 0.4190445 -0.0000000), wk = 0.0026042 k( 106) = ( 0.2365591 0.4097324 -0.0000000), wk = 0.0026042 k( 107) = ( 0.2311828 0.4004204 -0.0000000), wk = 0.0026042 k( 108) = ( 0.2258064 0.3911082 -0.0000000), wk = 0.0026042 k( 109) = ( 0.2204301 0.3817962 -0.0000000), wk = 0.0026042 k( 110) = ( 0.2150538 0.3724840 -0.0000000), wk = 0.0026042 k( 111) = ( 0.2096774 0.3631719 -0.0000000), wk = 0.0026042 k( 112) = ( 0.2043011 0.3538599 -0.0000000), wk = 0.0026042 k( 113) = ( 0.1989247 0.3445477 -0.0000000), wk = 0.0026042 k( 114) = ( 0.1935484 0.3352356 -0.0000000), wk = 0.0026042 k( 115) = ( 0.1881720 0.3259235 -0.0000000), wk = 0.0026042 k( 116) = ( 0.1827957 0.3166114 -0.0000000), wk = 0.0026042 k( 117) = ( 0.1774194 0.3072993 -0.0000000), wk = 0.0026042 k( 118) = ( 0.1720430 0.2979872 -0.0000000), wk = 0.0026042 k( 119) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0026042 k( 120) = ( 0.1612903 0.2793630 -0.0000000), wk = 0.0026042 k( 121) = ( 0.1559140 0.2700509 -0.0000000), wk = 0.0026042 k( 122) = ( 0.1505376 0.2607388 -0.0000000), wk = 0.0026042 k( 123) = ( 0.1451613 0.2514267 -0.0000000), wk = 0.0026042 k( 124) = ( 0.1397849 0.2421146 -0.0000000), wk = 0.0026042 k( 125) = ( 0.1344086 0.2328025 -0.0000000), wk = 0.0026042 k( 126) = ( 0.1290323 0.2234904 -0.0000000), wk = 0.0026042 k( 127) = ( 0.1236559 0.2141783 -0.0000000), wk = 0.0026042 k( 128) = ( 0.1182796 0.2048662 -0.0000000), wk = 0.0026042 k( 129) = ( 0.1129032 0.1955541 -0.0000000), wk = 0.0026042 k( 130) = ( 0.1075269 0.1862420 -0.0000000), wk = 0.0026042 k( 131) = ( 0.1021505 0.1769299 -0.0000000), wk = 0.0026042 k( 132) = ( 0.0967742 0.1676178 -0.0000000), wk = 0.0026042 k( 133) = ( 0.0913979 0.1583057 -0.0000000), wk = 0.0026042 k( 134) = ( 0.0860215 0.1489936 -0.0000000), wk = 0.0026042 k( 135) = ( 0.0806452 0.1396815 -0.0000000), wk = 0.0026042 k( 136) = ( 0.0752688 0.1303694 -0.0000000), wk = 0.0026042 k( 137) = ( 0.0698925 0.1210573 -0.0000000), wk = 0.0026042 k( 138) = ( 0.0645161 0.1117452 -0.0000000), wk = 0.0026042 k( 139) = ( 0.0591398 0.1024331 -0.0000000), wk = 0.0026042 k( 140) = ( 0.0537634 0.0931210 -0.0000000), wk = 0.0026042 k( 141) = ( 0.0483871 0.0838089 -0.0000000), wk = 0.0026042 k( 142) = ( 0.0430108 0.0744968 -0.0000000), wk = 0.0026042 k( 143) = ( 0.0376344 0.0651847 -0.0000000), wk = 0.0026042 k( 144) = ( 0.0322581 0.0558726 -0.0000000), wk = 0.0026042 k( 145) = ( 0.0268817 0.0465605 -0.0000000), wk = 0.0026042 k( 146) = ( 0.0215054 0.0372484 -0.0000000), wk = 0.0026042 k( 147) = ( 0.0161290 0.0279363 -0.0000000), wk = 0.0026042 k( 148) = ( 0.0107527 0.0186242 -0.0000000), wk = 0.0026042 k( 149) = ( 0.0053763 0.0093121 -0.0000000), wk = 0.0026042 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 152) = ( 0.0000000 0.0000000 0.0106415), wk = 0.0026042 k( 153) = ( 0.0000000 0.0000000 0.0212830), wk = 0.0026042 k( 154) = ( 0.0000000 0.0000000 0.0319245), wk = 0.0026042 k( 155) = ( 0.0000000 0.0000000 0.0425660), wk = 0.0026042 k( 156) = ( 0.0000000 0.0000000 0.0532075), wk = 0.0026042 k( 157) = ( 0.0000000 0.0000000 0.0638490), wk = 0.0026042 k( 158) = ( 0.0000000 0.0000000 0.0744905), wk = 0.0026042 k( 159) = ( 0.0000000 0.0000000 0.0851320), wk = 0.0026042 k( 160) = ( 0.0000000 0.0000000 0.0957735), wk = 0.0026042 k( 161) = ( 0.0000000 0.0000000 0.1064150), wk = 0.0026042 k( 162) = ( 0.0000000 0.0000000 0.1170564), wk = 0.0026042 k( 163) = ( 0.0000000 0.0000000 0.1276979), wk = 0.0026042 k( 164) = ( 0.0000000 0.0000000 0.1383394), wk = 0.0026042 k( 165) = ( 0.0000000 0.0000000 0.1489809), wk = 0.0026042 k( 166) = ( 0.0000000 0.0000000 0.1596224), wk = 0.0026042 k( 167) = ( 0.0000000 0.0000000 0.1702639), wk = 0.0026042 k( 168) = ( 0.0000000 0.0000000 0.1809054), wk = 0.0026042 k( 169) = ( 0.0000000 0.0000000 0.1915469), wk = 0.0026042 k( 170) = ( 0.0000000 0.0000000 0.2021884), wk = 0.0026042 k( 171) = ( 0.0000000 0.0000000 0.2128299), wk = 0.0026042 k( 172) = ( 0.0000000 0.0000000 0.2234714), wk = 0.0026042 k( 173) = ( 0.0000000 0.0000000 0.2341129), wk = 0.0026042 k( 174) = ( 0.0000000 0.0000000 0.2447544), wk = 0.0026042 k( 175) = ( 0.0000000 0.0000000 0.2553959), wk = 0.0026042 k( 176) = ( 0.0000000 0.0000000 0.2660374), wk = 0.0026042 k( 177) = ( 0.0000000 0.0000000 0.2766789), wk = 0.0026042 k( 178) = ( 0.0000000 0.0000000 0.2873204), wk = 0.0026042 k( 179) = ( 0.0000000 0.0000000 0.2873204), wk = 0.0026042 k( 180) = ( 0.0092593 0.0053458 0.2873204), wk = 0.0026042 k( 181) = ( 0.0185185 0.0106917 0.2873204), wk = 0.0026042 k( 182) = ( 0.0277778 0.0160375 0.2873204), wk = 0.0026042 k( 183) = ( 0.0370370 0.0213833 0.2873204), wk = 0.0026042 k( 184) = ( 0.0462963 0.0267292 0.2873204), wk = 0.0026042 k( 185) = ( 0.0555556 0.0320750 0.2873204), wk = 0.0026042 k( 186) = ( 0.0648148 0.0374208 0.2873204), wk = 0.0026042 k( 187) = ( 0.0740741 0.0427667 0.2873204), wk = 0.0026042 k( 188) = ( 0.0833333 0.0481125 0.2873204), wk = 0.0026042 k( 189) = ( 0.0925926 0.0534584 0.2873204), wk = 0.0026042 k( 190) = ( 0.1018518 0.0588042 0.2873204), wk = 0.0026042 k( 191) = ( 0.1111111 0.0641500 0.2873204), wk = 0.0026042 k( 192) = ( 0.1203704 0.0694959 0.2873204), wk = 0.0026042 k( 193) = ( 0.1296296 0.0748417 0.2873204), wk = 0.0026042 k( 194) = ( 0.1388889 0.0801875 0.2873204), wk = 0.0026042 k( 195) = ( 0.1481482 0.0855334 0.2873204), wk = 0.0026042 k( 196) = ( 0.1574074 0.0908792 0.2873204), wk = 0.0026042 k( 197) = ( 0.1666667 0.0962250 0.2873204), wk = 0.0026042 k( 198) = ( 0.1759259 0.1015709 0.2873204), wk = 0.0026042 k( 199) = ( 0.1851852 0.1069167 0.2873204), wk = 0.0026042 k( 200) = ( 0.1944444 0.1122625 0.2873204), wk = 0.0026042 k( 201) = ( 0.2037037 0.1176084 0.2873204), wk = 0.0026042 k( 202) = ( 0.2129630 0.1229542 0.2873204), wk = 0.0026042 k( 203) = ( 0.2222222 0.1283001 0.2873204), wk = 0.0026042 k( 204) = ( 0.2314815 0.1336459 0.2873204), wk = 0.0026042 k( 205) = ( 0.2407407 0.1389917 0.2873204), wk = 0.0026042 k( 206) = ( 0.2500000 0.1443376 0.2873204), wk = 0.0026042 k( 207) = ( 0.2592593 0.1496834 0.2873204), wk = 0.0026042 k( 208) = ( 0.2685185 0.1550292 0.2873204), wk = 0.0026042 k( 209) = ( 0.2777778 0.1603751 0.2873204), wk = 0.0026042 k( 210) = ( 0.2870370 0.1657209 0.2873204), wk = 0.0026042 k( 211) = ( 0.2962963 0.1710667 0.2873204), wk = 0.0026042 k( 212) = ( 0.3055556 0.1764126 0.2873204), wk = 0.0026042 k( 213) = ( 0.3148148 0.1817584 0.2873204), wk = 0.0026042 k( 214) = ( 0.3240741 0.1871043 0.2873204), wk = 0.0026042 k( 215) = ( 0.3333333 0.1924501 0.2873204), wk = 0.0026042 k( 216) = ( 0.3425926 0.1977959 0.2873204), wk = 0.0026042 k( 217) = ( 0.3518519 0.2031418 0.2873204), wk = 0.0026042 k( 218) = ( 0.3611111 0.2084876 0.2873204), wk = 0.0026042 k( 219) = ( 0.3703704 0.2138334 0.2873204), wk = 0.0026042 k( 220) = ( 0.3796296 0.2191793 0.2873204), wk = 0.0026042 k( 221) = ( 0.3888889 0.2245251 0.2873204), wk = 0.0026042 k( 222) = ( 0.3981481 0.2298709 0.2873204), wk = 0.0026042 k( 223) = ( 0.4074074 0.2352168 0.2873204), wk = 0.0026042 k( 224) = ( 0.4166667 0.2405626 0.2873204), wk = 0.0026042 k( 225) = ( 0.4259259 0.2459085 0.2873204), wk = 0.0026042 k( 226) = ( 0.4351852 0.2512543 0.2873204), wk = 0.0026042 k( 227) = ( 0.4444444 0.2566001 0.2873204), wk = 0.0026042 k( 228) = ( 0.4537037 0.2619460 0.2873204), wk = 0.0026042 k( 229) = ( 0.4629630 0.2672918 0.2873204), wk = 0.0026042 k( 230) = ( 0.4722222 0.2726376 0.2873204), wk = 0.0026042 k( 231) = ( 0.4814815 0.2779835 0.2873204), wk = 0.0026042 k( 232) = ( 0.4907407 0.2833293 0.2873204), wk = 0.0026042 k( 233) = ( 0.5000000 0.2886751 0.2873204), wk = 0.0026042 k( 234) = ( 0.5000000 0.2886751 0.2873204), wk = 0.0026042 k( 235) = ( 0.4946237 0.2979872 0.2873204), wk = 0.0026042 k( 236) = ( 0.4892473 0.3072993 0.2873204), wk = 0.0026042 k( 237) = ( 0.4838710 0.3166114 0.2873204), wk = 0.0026042 k( 238) = ( 0.4784946 0.3259235 0.2873204), wk = 0.0026042 k( 239) = ( 0.4731183 0.3352356 0.2873204), wk = 0.0026042 k( 240) = ( 0.4677419 0.3445477 0.2873204), wk = 0.0026042 k( 241) = ( 0.4623656 0.3538598 0.2873204), wk = 0.0026042 k( 242) = ( 0.4569893 0.3631720 0.2873204), wk = 0.0026042 k( 243) = ( 0.4516129 0.3724840 0.2873204), wk = 0.0026042 k( 244) = ( 0.4462366 0.3817961 0.2873204), wk = 0.0026042 k( 245) = ( 0.4408602 0.3911082 0.2873204), wk = 0.0026042 k( 246) = ( 0.4354839 0.4004203 0.2873204), wk = 0.0026042 k( 247) = ( 0.4301075 0.4097325 0.2873204), wk = 0.0026042 k( 248) = ( 0.4247312 0.4190445 0.2873204), wk = 0.0026042 k( 249) = ( 0.4193548 0.4283566 0.2873204), wk = 0.0026042 k( 250) = ( 0.4139785 0.4376687 0.2873204), wk = 0.0026042 k( 251) = ( 0.4086021 0.4469809 0.2873204), wk = 0.0026042 k( 252) = ( 0.4032258 0.4562930 0.2873204), wk = 0.0026042 k( 253) = ( 0.3978495 0.4656051 0.2873204), wk = 0.0026042 k( 254) = ( 0.3924731 0.4749172 0.2873204), wk = 0.0026042 k( 255) = ( 0.3870968 0.4842293 0.2873204), wk = 0.0026042 k( 256) = ( 0.3817204 0.4935414 0.2873204), wk = 0.0026042 k( 257) = ( 0.3763441 0.5028535 0.2873204), wk = 0.0026042 k( 258) = ( 0.3709677 0.5121656 0.2873204), wk = 0.0026042 k( 259) = ( 0.3655914 0.5214777 0.2873204), wk = 0.0026042 k( 260) = ( 0.3602150 0.5307898 0.2873204), wk = 0.0026042 k( 261) = ( 0.3548387 0.5401019 0.2873204), wk = 0.0026042 k( 262) = ( 0.3494624 0.5494140 0.2873204), wk = 0.0026042 k( 263) = ( 0.3440860 0.5587261 0.2873204), wk = 0.0026042 k( 264) = ( 0.3387097 0.5680382 0.2873204), wk = 0.0026042 k( 265) = ( 0.3333333 0.5773503 0.2873204), wk = 0.0026042 k( 266) = ( 0.3333333 0.5773503 0.2873204), wk = 0.0026042 k( 267) = ( 0.3279570 0.5680382 0.2873204), wk = 0.0026042 k( 268) = ( 0.3225807 0.5587261 0.2873204), wk = 0.0026042 k( 269) = ( 0.3172043 0.5494140 0.2873204), wk = 0.0026042 k( 270) = ( 0.3118280 0.5401019 0.2873204), wk = 0.0026042 k( 271) = ( 0.3064516 0.5307898 0.2873204), wk = 0.0026042 k( 272) = ( 0.3010753 0.5214777 0.2873204), wk = 0.0026042 k( 273) = ( 0.2956989 0.5121656 0.2873204), wk = 0.0026042 k( 274) = ( 0.2903226 0.5028535 0.2873204), wk = 0.0026042 k( 275) = ( 0.2849462 0.4935414 0.2873204), wk = 0.0026042 k( 276) = ( 0.2795699 0.4842293 0.2873204), wk = 0.0026042 k( 277) = ( 0.2741936 0.4749172 0.2873204), wk = 0.0026042 k( 278) = ( 0.2688172 0.4656050 0.2873204), wk = 0.0026042 k( 279) = ( 0.2634409 0.4562930 0.2873204), wk = 0.0026042 k( 280) = ( 0.2580645 0.4469809 0.2873204), wk = 0.0026042 k( 281) = ( 0.2526882 0.4376687 0.2873204), wk = 0.0026042 k( 282) = ( 0.2473118 0.4283567 0.2873204), wk = 0.0026042 k( 283) = ( 0.2419355 0.4190445 0.2873204), wk = 0.0026042 k( 284) = ( 0.2365591 0.4097324 0.2873204), wk = 0.0026042 k( 285) = ( 0.2311828 0.4004204 0.2873204), wk = 0.0026042 k( 286) = ( 0.2258064 0.3911082 0.2873204), wk = 0.0026042 k( 287) = ( 0.2204301 0.3817962 0.2873204), wk = 0.0026042 k( 288) = ( 0.2150538 0.3724840 0.2873204), wk = 0.0026042 k( 289) = ( 0.2096774 0.3631719 0.2873204), wk = 0.0026042 k( 290) = ( 0.2043011 0.3538599 0.2873204), wk = 0.0026042 k( 291) = ( 0.1989247 0.3445477 0.2873204), wk = 0.0026042 k( 292) = ( 0.1935484 0.3352356 0.2873204), wk = 0.0026042 k( 293) = ( 0.1881720 0.3259235 0.2873204), wk = 0.0026042 k( 294) = ( 0.1827957 0.3166114 0.2873204), wk = 0.0026042 k( 295) = ( 0.1774194 0.3072993 0.2873204), wk = 0.0026042 k( 296) = ( 0.1720430 0.2979872 0.2873204), wk = 0.0026042 k( 297) = ( 0.1666667 0.2886751 0.2873204), wk = 0.0026042 k( 298) = ( 0.1612903 0.2793630 0.2873204), wk = 0.0026042 k( 299) = ( 0.1559140 0.2700509 0.2873204), wk = 0.0026042 k( 300) = ( 0.1505376 0.2607388 0.2873204), wk = 0.0026042 k( 301) = ( 0.1451613 0.2514267 0.2873204), wk = 0.0026042 k( 302) = ( 0.1397849 0.2421146 0.2873204), wk = 0.0026042 k( 303) = ( 0.1344086 0.2328025 0.2873204), wk = 0.0026042 k( 304) = ( 0.1290323 0.2234904 0.2873204), wk = 0.0026042 k( 305) = ( 0.1236559 0.2141783 0.2873204), wk = 0.0026042 k( 306) = ( 0.1182796 0.2048662 0.2873204), wk = 0.0026042 k( 307) = ( 0.1129032 0.1955541 0.2873204), wk = 0.0026042 k( 308) = ( 0.1075269 0.1862420 0.2873204), wk = 0.0026042 k( 309) = ( 0.1021505 0.1769299 0.2873204), wk = 0.0026042 k( 310) = ( 0.0967742 0.1676178 0.2873204), wk = 0.0026042 k( 311) = ( 0.0913979 0.1583057 0.2873204), wk = 0.0026042 k( 312) = ( 0.0860215 0.1489936 0.2873204), wk = 0.0026042 k( 313) = ( 0.0806452 0.1396815 0.2873204), wk = 0.0026042 k( 314) = ( 0.0752688 0.1303694 0.2873204), wk = 0.0026042 k( 315) = ( 0.0698925 0.1210573 0.2873204), wk = 0.0026042 k( 316) = ( 0.0645161 0.1117452 0.2873204), wk = 0.0026042 k( 317) = ( 0.0591398 0.1024331 0.2873204), wk = 0.0026042 k( 318) = ( 0.0537634 0.0931210 0.2873204), wk = 0.0026042 k( 319) = ( 0.0483871 0.0838089 0.2873204), wk = 0.0026042 k( 320) = ( 0.0430108 0.0744968 0.2873204), wk = 0.0026042 k( 321) = ( 0.0376344 0.0651847 0.2873204), wk = 0.0026042 k( 322) = ( 0.0322581 0.0558726 0.2873204), wk = 0.0026042 k( 323) = ( 0.0268817 0.0465605 0.2873204), wk = 0.0026042 k( 324) = ( 0.0215054 0.0372484 0.2873204), wk = 0.0026042 k( 325) = ( 0.0161290 0.0279363 0.2873204), wk = 0.0026042 k( 326) = ( 0.0107527 0.0186242 0.2873204), wk = 0.0026042 k( 327) = ( 0.0053763 0.0093121 0.2873204), wk = 0.0026042 k( 328) = ( 0.0000000 0.0000000 0.2873204), wk = 0.0026042 k( 329) = ( 0.5000000 0.2886751 0.2873204), wk = 0.0026042 k( 330) = ( 0.5000000 0.2886751 0.2766789), wk = 0.0026042 k( 331) = ( 0.5000000 0.2886751 0.2660374), wk = 0.0026042 k( 332) = ( 0.5000000 0.2886751 0.2553959), wk = 0.0026042 k( 333) = ( 0.5000000 0.2886751 0.2447544), wk = 0.0026042 k( 334) = ( 0.5000000 0.2886751 0.2341129), wk = 0.0026042 k( 335) = ( 0.5000000 0.2886751 0.2234714), wk = 0.0026042 k( 336) = ( 0.5000000 0.2886751 0.2128299), wk = 0.0026042 k( 337) = ( 0.5000000 0.2886751 0.2021884), wk = 0.0026042 k( 338) = ( 0.5000000 0.2886751 0.1915469), wk = 0.0026042 k( 339) = ( 0.5000000 0.2886751 0.1809054), wk = 0.0026042 k( 340) = ( 0.5000000 0.2886751 0.1702639), wk = 0.0026042 k( 341) = ( 0.5000000 0.2886751 0.1596224), wk = 0.0026042 k( 342) = ( 0.5000000 0.2886751 0.1489809), wk = 0.0026042 k( 343) = ( 0.5000000 0.2886751 0.1383394), wk = 0.0026042 k( 344) = ( 0.5000000 0.2886751 0.1276979), wk = 0.0026042 k( 345) = ( 0.5000000 0.2886751 0.1170564), wk = 0.0026042 k( 346) = ( 0.5000000 0.2886751 0.1064150), wk = 0.0026042 k( 347) = ( 0.5000000 0.2886751 0.0957735), wk = 0.0026042 k( 348) = ( 0.5000000 0.2886751 0.0851320), wk = 0.0026042 k( 349) = ( 0.5000000 0.2886751 0.0744905), wk = 0.0026042 k( 350) = ( 0.5000000 0.2886751 0.0638490), wk = 0.0026042 k( 351) = ( 0.5000000 0.2886751 0.0532075), wk = 0.0026042 k( 352) = ( 0.5000000 0.2886751 0.0425660), wk = 0.0026042 k( 353) = ( 0.5000000 0.2886751 0.0319245), wk = 0.0026042 k( 354) = ( 0.5000000 0.2886751 0.0212830), wk = 0.0026042 k( 355) = ( 0.5000000 0.2886751 0.0106415), wk = 0.0026042 k( 356) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026042 k( 357) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026042 k( 358) = ( 0.3333333 0.5773503 0.0106415), wk = 0.0026042 k( 359) = ( 0.3333333 0.5773503 0.0212830), wk = 0.0026042 k( 360) = ( 0.3333333 0.5773503 0.0319245), wk = 0.0026042 k( 361) = ( 0.3333333 0.5773503 0.0425660), wk = 0.0026042 k( 362) = ( 0.3333333 0.5773503 0.0532075), wk = 0.0026042 k( 363) = ( 0.3333333 0.5773503 0.0638490), wk = 0.0026042 k( 364) = ( 0.3333333 0.5773503 0.0744905), wk = 0.0026042 k( 365) = ( 0.3333333 0.5773503 0.0851320), wk = 0.0026042 k( 366) = ( 0.3333333 0.5773503 0.0957735), wk = 0.0026042 k( 367) = ( 0.3333333 0.5773503 0.1064150), wk = 0.0026042 k( 368) = ( 0.3333333 0.5773503 0.1170564), wk = 0.0026042 k( 369) = ( 0.3333333 0.5773503 0.1276979), wk = 0.0026042 k( 370) = ( 0.3333333 0.5773503 0.1383394), wk = 0.0026042 k( 371) = ( 0.3333333 0.5773503 0.1489809), wk = 0.0026042 k( 372) = ( 0.3333333 0.5773503 0.1596224), wk = 0.0026042 k( 373) = ( 0.3333333 0.5773503 0.1702639), wk = 0.0026042 k( 374) = ( 0.3333333 0.5773503 0.1809054), wk = 0.0026042 k( 375) = ( 0.3333333 0.5773503 0.1915469), wk = 0.0026042 k( 376) = ( 0.3333333 0.5773503 0.2021884), wk = 0.0026042 k( 377) = ( 0.3333333 0.5773503 0.2128299), wk = 0.0026042 k( 378) = ( 0.3333333 0.5773503 0.2234714), wk = 0.0026042 k( 379) = ( 0.3333333 0.5773503 0.2341129), wk = 0.0026042 k( 380) = ( 0.3333333 0.5773503 0.2447544), wk = 0.0026042 k( 381) = ( 0.3333333 0.5773503 0.2553959), wk = 0.0026042 k( 382) = ( 0.3333333 0.5773503 0.2660374), wk = 0.0026042 k( 383) = ( 0.3333333 0.5773503 0.2766789), wk = 0.0026042 k( 384) = ( 0.3333333 0.5773503 0.2873204), wk = 0.0026042 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 2) = ( 0.0092593 0.0000000 0.0000000), wk = 0.0026042 k( 3) = ( 0.0185185 0.0000000 0.0000000), wk = 0.0026042 k( 4) = ( 0.0277778 -0.0000000 0.0000000), wk = 0.0026042 k( 5) = ( 0.0370370 0.0000000 0.0000000), wk = 0.0026042 k( 6) = ( 0.0462963 -0.0000000 0.0000000), wk = 0.0026042 k( 7) = ( 0.0555556 -0.0000000 0.0000000), wk = 0.0026042 k( 8) = ( 0.0648148 0.0000000 -0.0000000), wk = 0.0026042 k( 9) = ( 0.0740741 0.0000000 0.0000000), wk = 0.0026042 k( 10) = ( 0.0833333 -0.0000000 0.0000000), wk = 0.0026042 k( 11) = ( 0.0925926 -0.0000000 0.0000000), wk = 0.0026042 k( 12) = ( 0.1018518 0.0000000 -0.0000000), wk = 0.0026042 k( 13) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0026042 k( 14) = ( 0.1203704 0.0000000 0.0000000), wk = 0.0026042 k( 15) = ( 0.1296296 0.0000000 0.0000000), wk = 0.0026042 k( 16) = ( 0.1388889 0.0000000 -0.0000000), wk = 0.0026042 k( 17) = ( 0.1481482 0.0000000 -0.0000000), wk = 0.0026042 k( 18) = ( 0.1574074 0.0000000 0.0000000), wk = 0.0026042 k( 19) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0026042 k( 20) = ( 0.1759259 -0.0000000 0.0000000), wk = 0.0026042 k( 21) = ( 0.1851852 -0.0000000 -0.0000000), wk = 0.0026042 k( 22) = ( 0.1944444 0.0000000 0.0000000), wk = 0.0026042 k( 23) = ( 0.2037037 0.0000000 -0.0000000), wk = 0.0026042 k( 24) = ( 0.2129630 0.0000000 -0.0000000), wk = 0.0026042 k( 25) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0026042 k( 26) = ( 0.2314815 0.0000000 0.0000000), wk = 0.0026042 k( 27) = ( 0.2407407 0.0000000 0.0000000), wk = 0.0026042 k( 28) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0026042 k( 29) = ( 0.2592593 0.0000000 0.0000000), wk = 0.0026042 k( 30) = ( 0.2685185 0.0000000 0.0000000), wk = 0.0026042 k( 31) = ( 0.2777778 0.0000000 -0.0000000), wk = 0.0026042 k( 32) = ( 0.2870370 0.0000000 0.0000000), wk = 0.0026042 k( 33) = ( 0.2962963 0.0000000 -0.0000000), wk = 0.0026042 k( 34) = ( 0.3055556 -0.0000000 -0.0000000), wk = 0.0026042 k( 35) = ( 0.3148148 -0.0000000 -0.0000000), wk = 0.0026042 k( 36) = ( 0.3240741 -0.0000000 -0.0000000), wk = 0.0026042 k( 37) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0026042 k( 38) = ( 0.3425926 -0.0000000 -0.0000000), wk = 0.0026042 k( 39) = ( 0.3518519 0.0000000 0.0000000), wk = 0.0026042 k( 40) = ( 0.3611111 -0.0000000 0.0000000), wk = 0.0026042 k( 41) = ( 0.3703704 -0.0000000 -0.0000000), wk = 0.0026042 k( 42) = ( 0.3796296 0.0000000 0.0000000), wk = 0.0026042 k( 43) = ( 0.3888889 0.0000000 -0.0000000), wk = 0.0026042 k( 44) = ( 0.3981481 0.0000000 -0.0000000), wk = 0.0026042 k( 45) = ( 0.4074074 0.0000000 0.0000000), wk = 0.0026042 k( 46) = ( 0.4166667 0.0000000 -0.0000000), wk = 0.0026042 k( 47) = ( 0.4259259 0.0000000 -0.0000000), wk = 0.0026042 k( 48) = ( 0.4351852 -0.0000000 -0.0000000), wk = 0.0026042 k( 49) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0026042 k( 50) = ( 0.4537037 0.0000000 -0.0000000), wk = 0.0026042 k( 51) = ( 0.4629630 0.0000000 0.0000000), wk = 0.0026042 k( 52) = ( 0.4722222 -0.0000000 -0.0000000), wk = 0.0026042 k( 53) = ( 0.4814815 0.0000000 0.0000000), wk = 0.0026042 k( 54) = ( 0.4907407 -0.0000000 0.0000000), wk = 0.0026042 k( 55) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0026042 k( 56) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0026042 k( 57) = ( 0.4946237 0.0107527 0.0000000), wk = 0.0026042 k( 58) = ( 0.4892473 0.0215054 -0.0000000), wk = 0.0026042 k( 59) = ( 0.4838710 0.0322581 -0.0000000), wk = 0.0026042 k( 60) = ( 0.4784946 0.0430108 0.0000000), wk = 0.0026042 k( 61) = ( 0.4731183 0.0537634 -0.0000000), wk = 0.0026042 k( 62) = ( 0.4677419 0.0645161 0.0000000), wk = 0.0026042 k( 63) = ( 0.4623656 0.0752688 0.0000000), wk = 0.0026042 k( 64) = ( 0.4569893 0.0860215 0.0000000), wk = 0.0026042 k( 65) = ( 0.4516129 0.0967742 -0.0000000), wk = 0.0026042 k( 66) = ( 0.4462366 0.1075269 -0.0000000), wk = 0.0026042 k( 67) = ( 0.4408602 0.1182796 0.0000000), wk = 0.0026042 k( 68) = ( 0.4354839 0.1290323 0.0000000), wk = 0.0026042 k( 69) = ( 0.4301075 0.1397849 -0.0000000), wk = 0.0026042 k( 70) = ( 0.4247312 0.1505376 -0.0000000), wk = 0.0026042 k( 71) = ( 0.4193548 0.1612903 -0.0000000), wk = 0.0026042 k( 72) = ( 0.4139785 0.1720430 -0.0000000), wk = 0.0026042 k( 73) = ( 0.4086021 0.1827957 0.0000000), wk = 0.0026042 k( 74) = ( 0.4032258 0.1935484 0.0000000), wk = 0.0026042 k( 75) = ( 0.3978495 0.2043011 -0.0000000), wk = 0.0026042 k( 76) = ( 0.3924731 0.2150538 -0.0000000), wk = 0.0026042 k( 77) = ( 0.3870968 0.2258065 -0.0000000), wk = 0.0026042 k( 78) = ( 0.3817204 0.2365591 0.0000000), wk = 0.0026042 k( 79) = ( 0.3763441 0.2473118 0.0000000), wk = 0.0026042 k( 80) = ( 0.3709677 0.2580645 0.0000000), wk = 0.0026042 k( 81) = ( 0.3655914 0.2688172 -0.0000000), wk = 0.0026042 k( 82) = ( 0.3602150 0.2795699 -0.0000000), wk = 0.0026042 k( 83) = ( 0.3548387 0.2903226 0.0000000), wk = 0.0026042 k( 84) = ( 0.3494624 0.3010753 -0.0000000), wk = 0.0026042 k( 85) = ( 0.3440860 0.3118280 -0.0000000), wk = 0.0026042 k( 86) = ( 0.3387097 0.3225807 -0.0000000), wk = 0.0026042 k( 87) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0026042 k( 88) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0026042 k( 89) = ( 0.3279570 0.3279570 0.0000000), wk = 0.0026042 k( 90) = ( 0.3225807 0.3225807 -0.0000000), wk = 0.0026042 k( 91) = ( 0.3172043 0.3172043 0.0000000), wk = 0.0026042 k( 92) = ( 0.3118280 0.3118280 0.0000000), wk = 0.0026042 k( 93) = ( 0.3064516 0.3064516 -0.0000000), wk = 0.0026042 k( 94) = ( 0.3010753 0.3010753 -0.0000000), wk = 0.0026042 k( 95) = ( 0.2956989 0.2956989 0.0000000), wk = 0.0026042 k( 96) = ( 0.2903226 0.2903226 0.0000000), wk = 0.0026042 k( 97) = ( 0.2849462 0.2849462 0.0000000), wk = 0.0026042 k( 98) = ( 0.2795699 0.2795699 -0.0000000), wk = 0.0026042 k( 99) = ( 0.2741936 0.2741936 -0.0000000), wk = 0.0026042 k( 100) = ( 0.2688172 0.2688172 -0.0000000), wk = 0.0026042 k( 101) = ( 0.2634409 0.2634409 -0.0000000), wk = 0.0026042 k( 102) = ( 0.2580645 0.2580645 0.0000000), wk = 0.0026042 k( 103) = ( 0.2526882 0.2526882 0.0000000), wk = 0.0026042 k( 104) = ( 0.2473118 0.2473118 -0.0000000), wk = 0.0026042 k( 105) = ( 0.2419355 0.2419355 -0.0000000), wk = 0.0026042 k( 106) = ( 0.2365591 0.2365591 -0.0000000), wk = 0.0026042 k( 107) = ( 0.2311828 0.2311828 -0.0000000), wk = 0.0026042 k( 108) = ( 0.2258064 0.2258064 0.0000000), wk = 0.0026042 k( 109) = ( 0.2204301 0.2204301 -0.0000000), wk = 0.0026042 k( 110) = ( 0.2150538 0.2150538 -0.0000000), wk = 0.0026042 k( 111) = ( 0.2096774 0.2096774 0.0000000), wk = 0.0026042 k( 112) = ( 0.2043011 0.2043011 0.0000000), wk = 0.0026042 k( 113) = ( 0.1989247 0.1989247 -0.0000000), wk = 0.0026042 k( 114) = ( 0.1935484 0.1935484 -0.0000000), wk = 0.0026042 k( 115) = ( 0.1881720 0.1881720 0.0000000), wk = 0.0026042 k( 116) = ( 0.1827957 0.1827957 -0.0000000), wk = 0.0026042 k( 117) = ( 0.1774194 0.1774194 -0.0000000), wk = 0.0026042 k( 118) = ( 0.1720430 0.1720430 -0.0000000), wk = 0.0026042 k( 119) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0026042 k( 120) = ( 0.1612903 0.1612903 -0.0000000), wk = 0.0026042 k( 121) = ( 0.1559140 0.1559140 0.0000000), wk = 0.0026042 k( 122) = ( 0.1505376 0.1505376 0.0000000), wk = 0.0026042 k( 123) = ( 0.1451613 0.1451613 0.0000000), wk = 0.0026042 k( 124) = ( 0.1397849 0.1397849 0.0000000), wk = 0.0026042 k( 125) = ( 0.1344086 0.1344086 -0.0000000), wk = 0.0026042 k( 126) = ( 0.1290323 0.1290323 0.0000000), wk = 0.0026042 k( 127) = ( 0.1236559 0.1236559 0.0000000), wk = 0.0026042 k( 128) = ( 0.1182796 0.1182796 -0.0000000), wk = 0.0026042 k( 129) = ( 0.1129032 0.1129032 -0.0000000), wk = 0.0026042 k( 130) = ( 0.1075269 0.1075269 -0.0000000), wk = 0.0026042 k( 131) = ( 0.1021505 0.1021505 0.0000000), wk = 0.0026042 k( 132) = ( 0.0967742 0.0967742 -0.0000000), wk = 0.0026042 k( 133) = ( 0.0913979 0.0913978 -0.0000000), wk = 0.0026042 k( 134) = ( 0.0860215 0.0860215 0.0000000), wk = 0.0026042 k( 135) = ( 0.0806452 0.0806452 -0.0000000), wk = 0.0026042 k( 136) = ( 0.0752688 0.0752688 0.0000000), wk = 0.0026042 k( 137) = ( 0.0698925 0.0698925 0.0000000), wk = 0.0026042 k( 138) = ( 0.0645161 0.0645161 0.0000000), wk = 0.0026042 k( 139) = ( 0.0591398 0.0591398 0.0000000), wk = 0.0026042 k( 140) = ( 0.0537634 0.0537634 -0.0000000), wk = 0.0026042 k( 141) = ( 0.0483871 0.0483871 -0.0000000), wk = 0.0026042 k( 142) = ( 0.0430108 0.0430108 0.0000000), wk = 0.0026042 k( 143) = ( 0.0376344 0.0376344 0.0000000), wk = 0.0026042 k( 144) = ( 0.0322581 0.0322581 0.0000000), wk = 0.0026042 k( 145) = ( 0.0268817 0.0268817 -0.0000000), wk = 0.0026042 k( 146) = ( 0.0215054 0.0215054 -0.0000000), wk = 0.0026042 k( 147) = ( 0.0161290 0.0161290 0.0000000), wk = 0.0026042 k( 148) = ( 0.0107527 0.0107527 -0.0000000), wk = 0.0026042 k( 149) = ( 0.0053763 0.0053763 -0.0000000), wk = 0.0026042 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 152) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0026042 k( 153) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0026042 k( 154) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0026042 k( 155) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0026042 k( 156) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0026042 k( 157) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0026042 k( 158) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0026042 k( 159) = ( 0.0000000 0.0000000 0.1481482), wk = 0.0026042 k( 160) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0026042 k( 161) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0026042 k( 162) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0026042 k( 163) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0026042 k( 164) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0026042 k( 165) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0026042 k( 166) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0026042 k( 167) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0026042 k( 168) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0026042 k( 169) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0026042 k( 170) = ( 0.0000000 0.0000000 0.3518518), wk = 0.0026042 k( 171) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0026042 k( 172) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0026042 k( 173) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0026042 k( 174) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0026042 k( 175) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0026042 k( 176) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0026042 k( 177) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0026042 k( 178) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026042 k( 179) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026042 k( 180) = ( 0.0092593 0.0000000 0.5000000), wk = 0.0026042 k( 181) = ( 0.0185185 0.0000000 0.5000000), wk = 0.0026042 k( 182) = ( 0.0277778 -0.0000000 0.5000000), wk = 0.0026042 k( 183) = ( 0.0370370 0.0000000 0.5000000), wk = 0.0026042 k( 184) = ( 0.0462963 -0.0000000 0.5000000), wk = 0.0026042 k( 185) = ( 0.0555556 -0.0000000 0.5000000), wk = 0.0026042 k( 186) = ( 0.0648148 0.0000000 0.5000000), wk = 0.0026042 k( 187) = ( 0.0740741 0.0000000 0.5000000), wk = 0.0026042 k( 188) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0026042 k( 189) = ( 0.0925926 -0.0000000 0.5000000), wk = 0.0026042 k( 190) = ( 0.1018518 0.0000000 0.5000000), wk = 0.0026042 k( 191) = ( 0.1111111 -0.0000000 0.5000000), wk = 0.0026042 k( 192) = ( 0.1203704 0.0000000 0.5000000), wk = 0.0026042 k( 193) = ( 0.1296296 0.0000000 0.5000000), wk = 0.0026042 k( 194) = ( 0.1388889 0.0000000 0.5000000), wk = 0.0026042 k( 195) = ( 0.1481482 0.0000000 0.5000000), wk = 0.0026042 k( 196) = ( 0.1574074 0.0000000 0.5000000), wk = 0.0026042 k( 197) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0026042 k( 198) = ( 0.1759259 -0.0000000 0.5000000), wk = 0.0026042 k( 199) = ( 0.1851852 -0.0000000 0.5000000), wk = 0.0026042 k( 200) = ( 0.1944444 0.0000000 0.5000000), wk = 0.0026042 k( 201) = ( 0.2037037 0.0000000 0.5000000), wk = 0.0026042 k( 202) = ( 0.2129630 0.0000000 0.5000000), wk = 0.0026042 k( 203) = ( 0.2222222 -0.0000000 0.5000000), wk = 0.0026042 k( 204) = ( 0.2314815 0.0000000 0.5000000), wk = 0.0026042 k( 205) = ( 0.2407407 0.0000000 0.5000000), wk = 0.0026042 k( 206) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0026042 k( 207) = ( 0.2592593 0.0000000 0.5000000), wk = 0.0026042 k( 208) = ( 0.2685185 0.0000000 0.5000000), wk = 0.0026042 k( 209) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0026042 k( 210) = ( 0.2870370 0.0000000 0.5000000), wk = 0.0026042 k( 211) = ( 0.2962963 0.0000000 0.5000000), wk = 0.0026042 k( 212) = ( 0.3055556 -0.0000000 0.5000000), wk = 0.0026042 k( 213) = ( 0.3148148 -0.0000000 0.5000000), wk = 0.0026042 k( 214) = ( 0.3240741 -0.0000000 0.5000000), wk = 0.0026042 k( 215) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0026042 k( 216) = ( 0.3425926 -0.0000000 0.5000000), wk = 0.0026042 k( 217) = ( 0.3518519 0.0000000 0.5000000), wk = 0.0026042 k( 218) = ( 0.3611111 -0.0000000 0.5000000), wk = 0.0026042 k( 219) = ( 0.3703704 -0.0000000 0.5000000), wk = 0.0026042 k( 220) = ( 0.3796296 0.0000000 0.5000000), wk = 0.0026042 k( 221) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0026042 k( 222) = ( 0.3981481 0.0000000 0.5000000), wk = 0.0026042 k( 223) = ( 0.4074074 0.0000000 0.5000000), wk = 0.0026042 k( 224) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0026042 k( 225) = ( 0.4259259 0.0000000 0.5000000), wk = 0.0026042 k( 226) = ( 0.4351852 -0.0000000 0.5000000), wk = 0.0026042 k( 227) = ( 0.4444444 -0.0000000 0.5000000), wk = 0.0026042 k( 228) = ( 0.4537037 0.0000000 0.5000000), wk = 0.0026042 k( 229) = ( 0.4629630 0.0000000 0.5000000), wk = 0.0026042 k( 230) = ( 0.4722222 -0.0000000 0.5000000), wk = 0.0026042 k( 231) = ( 0.4814815 0.0000000 0.5000000), wk = 0.0026042 k( 232) = ( 0.4907407 -0.0000000 0.5000000), wk = 0.0026042 k( 233) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026042 k( 234) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026042 k( 235) = ( 0.4946237 0.0107527 0.5000000), wk = 0.0026042 k( 236) = ( 0.4892473 0.0215054 0.5000000), wk = 0.0026042 k( 237) = ( 0.4838710 0.0322581 0.5000000), wk = 0.0026042 k( 238) = ( 0.4784946 0.0430108 0.5000000), wk = 0.0026042 k( 239) = ( 0.4731183 0.0537634 0.5000000), wk = 0.0026042 k( 240) = ( 0.4677419 0.0645161 0.5000000), wk = 0.0026042 k( 241) = ( 0.4623656 0.0752688 0.5000000), wk = 0.0026042 k( 242) = ( 0.4569893 0.0860215 0.5000000), wk = 0.0026042 k( 243) = ( 0.4516129 0.0967742 0.5000000), wk = 0.0026042 k( 244) = ( 0.4462366 0.1075269 0.5000000), wk = 0.0026042 k( 245) = ( 0.4408602 0.1182796 0.5000000), wk = 0.0026042 k( 246) = ( 0.4354839 0.1290323 0.5000000), wk = 0.0026042 k( 247) = ( 0.4301075 0.1397849 0.5000000), wk = 0.0026042 k( 248) = ( 0.4247312 0.1505376 0.5000000), wk = 0.0026042 k( 249) = ( 0.4193548 0.1612903 0.5000000), wk = 0.0026042 k( 250) = ( 0.4139785 0.1720430 0.5000000), wk = 0.0026042 k( 251) = ( 0.4086021 0.1827957 0.5000000), wk = 0.0026042 k( 252) = ( 0.4032258 0.1935484 0.5000000), wk = 0.0026042 k( 253) = ( 0.3978495 0.2043011 0.5000000), wk = 0.0026042 k( 254) = ( 0.3924731 0.2150538 0.5000000), wk = 0.0026042 k( 255) = ( 0.3870968 0.2258065 0.5000000), wk = 0.0026042 k( 256) = ( 0.3817204 0.2365591 0.5000000), wk = 0.0026042 k( 257) = ( 0.3763441 0.2473118 0.5000000), wk = 0.0026042 k( 258) = ( 0.3709677 0.2580645 0.5000000), wk = 0.0026042 k( 259) = ( 0.3655914 0.2688172 0.5000000), wk = 0.0026042 k( 260) = ( 0.3602150 0.2795699 0.5000000), wk = 0.0026042 k( 261) = ( 0.3548387 0.2903226 0.5000000), wk = 0.0026042 k( 262) = ( 0.3494624 0.3010753 0.5000000), wk = 0.0026042 k( 263) = ( 0.3440860 0.3118280 0.5000000), wk = 0.0026042 k( 264) = ( 0.3387097 0.3225807 0.5000000), wk = 0.0026042 k( 265) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026042 k( 266) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026042 k( 267) = ( 0.3279570 0.3279570 0.5000000), wk = 0.0026042 k( 268) = ( 0.3225807 0.3225807 0.5000000), wk = 0.0026042 k( 269) = ( 0.3172043 0.3172043 0.5000000), wk = 0.0026042 k( 270) = ( 0.3118280 0.3118280 0.5000000), wk = 0.0026042 k( 271) = ( 0.3064516 0.3064516 0.5000000), wk = 0.0026042 k( 272) = ( 0.3010753 0.3010753 0.5000000), wk = 0.0026042 k( 273) = ( 0.2956989 0.2956989 0.5000000), wk = 0.0026042 k( 274) = ( 0.2903226 0.2903226 0.5000000), wk = 0.0026042 k( 275) = ( 0.2849462 0.2849462 0.5000000), wk = 0.0026042 k( 276) = ( 0.2795699 0.2795699 0.5000000), wk = 0.0026042 k( 277) = ( 0.2741936 0.2741936 0.5000000), wk = 0.0026042 k( 278) = ( 0.2688172 0.2688172 0.5000000), wk = 0.0026042 k( 279) = ( 0.2634409 0.2634409 0.5000000), wk = 0.0026042 k( 280) = ( 0.2580645 0.2580645 0.5000000), wk = 0.0026042 k( 281) = ( 0.2526882 0.2526882 0.5000000), wk = 0.0026042 k( 282) = ( 0.2473118 0.2473118 0.5000000), wk = 0.0026042 k( 283) = ( 0.2419355 0.2419355 0.5000000), wk = 0.0026042 k( 284) = ( 0.2365591 0.2365591 0.5000000), wk = 0.0026042 k( 285) = ( 0.2311828 0.2311828 0.5000000), wk = 0.0026042 k( 286) = ( 0.2258064 0.2258064 0.5000000), wk = 0.0026042 k( 287) = ( 0.2204301 0.2204301 0.5000000), wk = 0.0026042 k( 288) = ( 0.2150538 0.2150538 0.5000000), wk = 0.0026042 k( 289) = ( 0.2096774 0.2096774 0.5000000), wk = 0.0026042 k( 290) = ( 0.2043011 0.2043011 0.5000000), wk = 0.0026042 k( 291) = ( 0.1989247 0.1989247 0.5000000), wk = 0.0026042 k( 292) = ( 0.1935484 0.1935484 0.5000000), wk = 0.0026042 k( 293) = ( 0.1881720 0.1881720 0.5000000), wk = 0.0026042 k( 294) = ( 0.1827957 0.1827957 0.5000000), wk = 0.0026042 k( 295) = ( 0.1774194 0.1774194 0.5000000), wk = 0.0026042 k( 296) = ( 0.1720430 0.1720430 0.5000000), wk = 0.0026042 k( 297) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0026042 k( 298) = ( 0.1612903 0.1612903 0.5000000), wk = 0.0026042 k( 299) = ( 0.1559140 0.1559140 0.5000000), wk = 0.0026042 k( 300) = ( 0.1505376 0.1505376 0.5000000), wk = 0.0026042 k( 301) = ( 0.1451613 0.1451613 0.5000000), wk = 0.0026042 k( 302) = ( 0.1397849 0.1397849 0.5000000), wk = 0.0026042 k( 303) = ( 0.1344086 0.1344086 0.5000000), wk = 0.0026042 k( 304) = ( 0.1290323 0.1290323 0.5000000), wk = 0.0026042 k( 305) = ( 0.1236559 0.1236559 0.5000000), wk = 0.0026042 k( 306) = ( 0.1182796 0.1182796 0.5000000), wk = 0.0026042 k( 307) = ( 0.1129032 0.1129032 0.5000000), wk = 0.0026042 k( 308) = ( 0.1075269 0.1075269 0.5000000), wk = 0.0026042 k( 309) = ( 0.1021505 0.1021505 0.5000000), wk = 0.0026042 k( 310) = ( 0.0967742 0.0967742 0.5000000), wk = 0.0026042 k( 311) = ( 0.0913979 0.0913978 0.5000000), wk = 0.0026042 k( 312) = ( 0.0860215 0.0860215 0.5000000), wk = 0.0026042 k( 313) = ( 0.0806452 0.0806452 0.5000000), wk = 0.0026042 k( 314) = ( 0.0752688 0.0752688 0.5000000), wk = 0.0026042 k( 315) = ( 0.0698925 0.0698925 0.5000000), wk = 0.0026042 k( 316) = ( 0.0645161 0.0645161 0.5000000), wk = 0.0026042 k( 317) = ( 0.0591398 0.0591398 0.5000000), wk = 0.0026042 k( 318) = ( 0.0537634 0.0537634 0.5000000), wk = 0.0026042 k( 319) = ( 0.0483871 0.0483871 0.5000000), wk = 0.0026042 k( 320) = ( 0.0430108 0.0430108 0.5000000), wk = 0.0026042 k( 321) = ( 0.0376344 0.0376344 0.5000000), wk = 0.0026042 k( 322) = ( 0.0322581 0.0322581 0.5000000), wk = 0.0026042 k( 323) = ( 0.0268817 0.0268817 0.5000000), wk = 0.0026042 k( 324) = ( 0.0215054 0.0215054 0.5000000), wk = 0.0026042 k( 325) = ( 0.0161290 0.0161290 0.5000000), wk = 0.0026042 k( 326) = ( 0.0107527 0.0107527 0.5000000), wk = 0.0026042 k( 327) = ( 0.0053763 0.0053763 0.5000000), wk = 0.0026042 k( 328) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026042 k( 329) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026042 k( 330) = ( 0.5000000 0.0000000 0.4814815), wk = 0.0026042 k( 331) = ( 0.5000000 0.0000000 0.4629630), wk = 0.0026042 k( 332) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0026042 k( 333) = ( 0.5000000 0.0000000 0.4259259), wk = 0.0026042 k( 334) = ( 0.5000000 0.0000000 0.4074074), wk = 0.0026042 k( 335) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0026042 k( 336) = ( 0.5000000 0.0000000 0.3703704), wk = 0.0026042 k( 337) = ( 0.5000000 0.0000000 0.3518519), wk = 0.0026042 k( 338) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0026042 k( 339) = ( 0.5000000 0.0000000 0.3148148), wk = 0.0026042 k( 340) = ( 0.5000000 0.0000000 0.2962963), wk = 0.0026042 k( 341) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0026042 k( 342) = ( 0.5000000 0.0000000 0.2592593), wk = 0.0026042 k( 343) = ( 0.5000000 0.0000000 0.2407407), wk = 0.0026042 k( 344) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0026042 k( 345) = ( 0.5000000 0.0000000 0.2037037), wk = 0.0026042 k( 346) = ( 0.5000000 0.0000000 0.1851852), wk = 0.0026042 k( 347) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0026042 k( 348) = ( 0.5000000 0.0000000 0.1481481), wk = 0.0026042 k( 349) = ( 0.5000000 0.0000000 0.1296296), wk = 0.0026042 k( 350) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0026042 k( 351) = ( 0.5000000 0.0000000 0.0925926), wk = 0.0026042 k( 352) = ( 0.5000000 0.0000000 0.0740741), wk = 0.0026042 k( 353) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0026042 k( 354) = ( 0.5000000 0.0000000 0.0370370), wk = 0.0026042 k( 355) = ( 0.5000000 0.0000000 0.0185185), wk = 0.0026042 k( 356) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0026042 k( 357) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0026042 k( 358) = ( 0.3333333 0.3333333 0.0185185), wk = 0.0026042 k( 359) = ( 0.3333333 0.3333333 0.0370370), wk = 0.0026042 k( 360) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0026042 k( 361) = ( 0.3333333 0.3333333 0.0740741), wk = 0.0026042 k( 362) = ( 0.3333333 0.3333333 0.0925926), wk = 0.0026042 k( 363) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0026042 k( 364) = ( 0.3333333 0.3333333 0.1296296), wk = 0.0026042 k( 365) = ( 0.3333333 0.3333333 0.1481481), wk = 0.0026042 k( 366) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0026042 k( 367) = ( 0.3333333 0.3333333 0.1851852), wk = 0.0026042 k( 368) = ( 0.3333333 0.3333333 0.2037037), wk = 0.0026042 k( 369) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0026042 k( 370) = ( 0.3333333 0.3333333 0.2407407), wk = 0.0026042 k( 371) = ( 0.3333333 0.3333333 0.2592593), wk = 0.0026042 k( 372) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0026042 k( 373) = ( 0.3333333 0.3333333 0.2962963), wk = 0.0026042 k( 374) = ( 0.3333333 0.3333333 0.3148148), wk = 0.0026042 k( 375) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0026042 k( 376) = ( 0.3333333 0.3333333 0.3518518), wk = 0.0026042 k( 377) = ( 0.3333333 0.3333333 0.3703704), wk = 0.0026042 k( 378) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0026042 k( 379) = ( 0.3333333 0.3333333 0.4074074), wk = 0.0026042 k( 380) = ( 0.3333333 0.3333333 0.4259259), wk = 0.0026042 k( 381) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0026042 k( 382) = ( 0.3333333 0.3333333 0.4629630), wk = 0.0026042 k( 383) = ( 0.3333333 0.3333333 0.4814815), wk = 0.0026042 k( 384) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026042 Dense grid: 38547 G-vectors FFT dimensions: ( 40, 40, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 268, 34) NL pseudopotentials 0.13 Mb ( 134, 62) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1069) G-vector shells 0.00 Mb ( 493) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.56 Mb ( 268, 136) Each subspace H/S matrix 0.02 Mb ( 34, 34) Each matrix 0.06 Mb ( 62, 2, 34) The potential is recalculated from file : ./CrSe2.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.3 secs Computing kpt #: 2 total cpu time spent up to now is 1.5 secs Computing kpt #: 3 total cpu time spent up to now is 1.7 secs Computing kpt #: 4 total cpu time spent up to now is 1.8 secs Computing kpt #: 5 total cpu time spent up to now is 2.0 secs Computing kpt #: 6 total cpu time spent up to now is 2.1 secs Computing kpt #: 7 total cpu time spent up to now is 2.3 secs Computing kpt #: 8 total cpu time spent up to now is 2.5 secs Computing kpt #: 9 total cpu time spent up to now is 2.6 secs Computing kpt #: 10 total cpu time spent up to now is 2.8 secs Computing kpt #: 11 total cpu time spent up to now is 3.0 secs Computing kpt #: 12 total cpu time spent up to now is 3.1 secs Computing kpt #: 13 total cpu time spent up to now is 3.3 secs Computing kpt #: 14 total cpu time spent up to now is 3.4 secs Computing kpt #: 15 total cpu time spent up to now is 3.6 secs Computing kpt #: 16 total cpu time spent up to now is 3.8 secs Computing kpt #: 17 total cpu time spent up to now is 3.9 secs Computing kpt #: 18 total cpu time spent up to now is 4.1 secs Computing kpt #: 19 total cpu time spent up to now is 4.3 secs Computing kpt #: 20 total cpu time spent up to now is 4.4 secs Computing kpt #: 21 total cpu time spent up to now is 4.6 secs Computing kpt #: 22 total cpu time spent up to now is 4.8 secs Computing kpt #: 23 total cpu time spent up to now is 4.9 secs Computing kpt #: 24 total cpu time spent up to now is 5.1 secs Computing kpt #: 25 total cpu time spent up to now is 5.2 secs Computing kpt #: 26 total cpu time spent up to now is 5.4 secs Computing kpt #: 27 total cpu time spent up to now is 5.6 secs Computing kpt #: 28 total cpu time spent up to now is 5.8 secs Computing kpt #: 29 total cpu time spent up to now is 5.9 secs Computing kpt #: 30 total cpu time spent up to now is 6.1 secs Computing kpt #: 31 total cpu time spent up to now is 6.3 secs Computing kpt #: 32 total cpu time spent up to now is 6.4 secs Computing kpt #: 33 total cpu time spent up to now is 6.6 secs Computing kpt #: 34 total cpu time spent up to now is 6.8 secs Computing kpt #: 35 total cpu time spent up to now is 6.9 secs Computing kpt #: 36 total cpu time spent up to now is 7.1 secs Computing kpt #: 37 total cpu time spent up to now is 7.3 secs Computing kpt #: 38 total cpu time spent up to now is 7.4 secs Computing kpt #: 39 total cpu time spent up to now is 7.6 secs Computing kpt #: 40 total cpu time spent up to now is 7.8 secs Computing kpt #: 41 total cpu time spent up to now is 8.0 secs Computing kpt #: 42 total cpu time spent up to now is 8.1 secs Computing kpt #: 43 total cpu time spent up to now is 8.3 secs Computing kpt #: 44 total cpu time spent up to now is 8.5 secs Computing kpt #: 45 total cpu time spent up to now is 8.7 secs Computing kpt #: 46 total cpu time spent up to now is 8.8 secs Computing kpt #: 47 total cpu time spent up to now is 9.0 secs Computing kpt #: 48 total cpu time spent up to now is 9.2 secs Computing kpt #: 49 total cpu time spent up to now is 9.3 secs Computing kpt #: 50 total cpu time spent up to now is 9.5 secs Computing kpt #: 51 total cpu time spent up to now is 9.7 secs Computing kpt #: 52 total cpu time spent up to now is 9.9 secs Computing kpt #: 53 total cpu time spent up to now is 10.0 secs Computing kpt #: 54 total cpu time spent up to now is 10.2 secs Computing kpt #: 55 total cpu time spent up to now is 10.4 secs Computing kpt #: 56 total cpu time spent up to now is 10.6 secs Computing kpt #: 57 total cpu time spent up to now is 10.8 secs Computing kpt #: 58 total cpu time spent up to now is 10.9 secs Computing kpt #: 59 total cpu time spent up to now is 11.1 secs Computing kpt #: 60 total cpu time spent up to now is 11.3 secs Computing kpt #: 61 total cpu time spent up to now is 11.5 secs Computing kpt #: 62 total cpu time spent up to now is 11.6 secs Computing kpt #: 63 total cpu time spent up to now is 11.8 secs Computing kpt #: 64 total cpu time spent up to now is 12.0 secs Computing kpt #: 65 total cpu time spent up to now is 12.2 secs Computing kpt #: 66 total cpu time spent up to now is 12.3 secs Computing kpt #: 67 total cpu time spent up to now is 12.5 secs Computing kpt #: 68 total cpu time spent up to now is 12.7 secs Computing kpt #: 69 total cpu time spent up to now is 12.8 secs Computing kpt #: 70 total cpu time spent up to now is 13.0 secs Computing kpt #: 71 total cpu time spent up to now is 13.2 secs Computing kpt #: 72 total cpu time spent up to now is 13.3 secs Computing kpt #: 73 total cpu time spent up to now is 13.5 secs Computing kpt #: 74 total cpu time spent up to now is 13.7 secs Computing kpt #: 75 total cpu time spent up to now is 13.9 secs Computing kpt #: 76 total cpu time spent up to now is 14.0 secs Computing kpt #: 77 total cpu time spent up to now is 14.2 secs Computing kpt #: 78 total cpu time spent up to now is 14.4 secs Computing kpt #: 79 total cpu time spent up to now is 14.5 secs Computing kpt #: 80 total cpu time spent up to now is 14.7 secs Computing kpt #: 81 total cpu time spent up to now is 14.9 secs Computing kpt #: 82 total cpu time spent up to now is 15.0 secs Computing kpt #: 83 total cpu time spent up to now is 15.2 secs Computing kpt #: 84 total cpu time spent up to now is 15.4 secs Computing kpt #: 85 total cpu time spent up to now is 15.5 secs Computing kpt #: 86 total cpu time spent up to now is 15.7 secs Computing kpt #: 87 total cpu time spent up to now is 15.9 secs Computing kpt #: 88 total cpu time spent up to now is 16.0 secs Computing kpt #: 89 total cpu time spent up to now is 16.2 secs Computing kpt #: 90 total cpu time spent up to now is 16.4 secs Computing kpt #: 91 total cpu time spent up to now is 16.5 secs Computing kpt #: 92 total cpu time spent up to now is 16.7 secs Computing kpt #: 93 total cpu time spent up to now is 16.8 secs Computing kpt #: 94 total cpu time spent up to now is 17.0 secs Computing kpt #: 95 total cpu time spent up to now is 17.2 secs Computing kpt #: 96 total cpu time spent up to now is 17.3 secs Computing kpt #: 97 total cpu time spent up to now is 17.5 secs Computing kpt #: 98 total cpu time spent up to now is 17.6 secs Computing kpt #: 99 total cpu time spent up to now is 17.8 secs Computing kpt #: 100 total cpu time spent up to now is 18.0 secs Computing kpt #: 101 total cpu time spent up to now is 18.1 secs Computing kpt #: 102 total cpu time spent up to now is 18.3 secs Computing kpt #: 103 total cpu time spent up to now is 18.5 secs Computing kpt #: 104 total cpu time spent up to now is 18.6 secs Computing kpt #: 105 total cpu time spent up to now is 18.8 secs Computing kpt #: 106 total cpu time spent up to now is 19.0 secs Computing kpt #: 107 total cpu time spent up to now is 19.1 secs Computing kpt #: 108 total cpu time spent up to now is 19.3 secs Computing kpt #: 109 total cpu time spent up to now is 19.5 secs Computing kpt #: 110 total cpu time spent up to now is 19.6 secs Computing kpt #: 111 total cpu time spent up to now is 19.8 secs Computing kpt #: 112 total cpu time spent up to now is 19.9 secs Computing kpt #: 113 total cpu time spent up to now is 20.1 secs Computing kpt #: 114 total cpu time spent up to now is 20.3 secs Computing kpt #: 115 total cpu time spent up to now is 20.4 secs Computing kpt #: 116 total cpu time spent up to now is 20.6 secs Computing kpt #: 117 total cpu time spent up to now is 20.8 secs Computing kpt #: 118 total cpu time spent up to now is 20.9 secs Computing kpt #: 119 total cpu time spent up to now is 21.1 secs Computing kpt #: 120 total cpu time spent up to now is 21.2 secs Computing kpt #: 121 total cpu time spent up to now is 21.4 secs Computing kpt #: 122 total cpu time spent up to now is 21.6 secs Computing kpt #: 123 total cpu time spent up to now is 21.7 secs Computing kpt #: 124 total cpu time spent up to now is 21.9 secs Computing kpt #: 125 total cpu time spent up to now is 22.0 secs Computing kpt #: 126 total cpu time spent up to now is 22.2 secs Computing kpt #: 127 total cpu time spent up to now is 22.4 secs Computing kpt #: 128 total cpu time spent up to now is 22.5 secs Computing kpt #: 129 total cpu time spent up to now is 22.7 secs Computing kpt #: 130 total cpu time spent up to now is 22.9 secs Computing kpt #: 131 total cpu time spent up to now is 23.0 secs Computing kpt #: 132 total cpu time spent up to now is 23.2 secs Computing kpt #: 133 total cpu time spent up to now is 23.4 secs Computing kpt #: 134 total cpu time spent up to now is 23.5 secs Computing kpt #: 135 total cpu time spent up to now is 23.7 secs Computing kpt #: 136 total cpu time spent up to now is 23.8 secs Computing kpt #: 137 total cpu time spent up to now is 24.0 secs Computing kpt #: 138 total cpu time spent up to now is 24.2 secs Computing kpt #: 139 total cpu time spent up to now is 24.3 secs Computing kpt #: 140 total cpu time spent up to now is 24.5 secs Computing kpt #: 141 total cpu time spent up to now is 24.7 secs Computing kpt #: 142 total cpu time spent up to now is 24.8 secs Computing kpt #: 143 total cpu time spent up to now is 25.0 secs Computing kpt #: 144 total cpu time spent up to now is 25.2 secs Computing kpt #: 145 total cpu time spent up to now is 25.3 secs Computing kpt #: 146 total cpu time spent up to now is 25.5 secs Computing kpt #: 147 total cpu time spent up to now is 25.7 secs Computing kpt #: 148 total cpu time spent up to now is 25.8 secs Computing kpt #: 149 total cpu time spent up to now is 26.0 secs Computing kpt #: 150 total cpu time spent up to now is 26.1 secs Computing kpt #: 151 total cpu time spent up to now is 26.3 secs Computing kpt #: 152 total cpu time spent up to now is 26.4 secs Computing kpt #: 153 total cpu time spent up to now is 26.6 secs Computing kpt #: 154 total cpu time spent up to now is 26.8 secs Computing kpt #: 155 total cpu time spent up to now is 26.9 secs Computing kpt #: 156 total cpu time spent up to now is 27.1 secs Computing kpt #: 157 total cpu time spent up to now is 27.2 secs Computing kpt #: 158 total cpu time spent up to now is 27.4 secs Computing kpt #: 159 total cpu time spent up to now is 27.6 secs Computing kpt #: 160 total cpu time spent up to now is 27.7 secs Computing kpt #: 161 total cpu time spent up to now is 27.9 secs Computing kpt #: 162 total cpu time spent up to now is 28.0 secs Computing kpt #: 163 total cpu time spent up to now is 28.2 secs Computing kpt #: 164 total cpu time spent up to now is 28.3 secs Computing kpt #: 165 total cpu time spent up to now is 28.5 secs Computing kpt #: 166 total cpu time spent up to now is 28.7 secs Computing kpt #: 167 total cpu time spent up to now is 28.8 secs Computing kpt #: 168 total cpu time spent up to now is 29.0 secs Computing kpt #: 169 total cpu time spent up to now is 29.1 secs Computing kpt #: 170 total cpu time spent up to now is 29.3 secs Computing kpt #: 171 total cpu time spent up to now is 29.5 secs Computing kpt #: 172 total cpu time spent up to now is 29.6 secs Computing kpt #: 173 total cpu time spent up to now is 29.8 secs Computing kpt #: 174 total cpu time spent up to now is 29.9 secs Computing kpt #: 175 total cpu time spent up to now is 30.1 secs Computing kpt #: 176 total cpu time spent up to now is 30.2 secs Computing kpt #: 177 total cpu time spent up to now is 30.4 secs Computing kpt #: 178 total cpu time spent up to now is 30.5 secs Computing kpt #: 179 total cpu time spent up to now is 30.7 secs Computing kpt #: 180 total cpu time spent up to now is 30.9 secs Computing kpt #: 181 total cpu time spent up to now is 31.0 secs Computing kpt #: 182 total cpu time spent up to now is 31.2 secs Computing kpt #: 183 total cpu time spent up to now is 31.4 secs Computing kpt #: 184 total cpu time spent up to now is 31.5 secs Computing kpt #: 185 total cpu time spent up to now is 31.7 secs Computing kpt #: 186 total cpu time spent up to now is 31.8 secs Computing kpt #: 187 total cpu time spent up to now is 32.0 secs Computing kpt #: 188 total cpu time spent up to now is 32.2 secs Computing kpt #: 189 total cpu time spent up to now is 32.3 secs Computing kpt #: 190 total cpu time spent up to now is 32.5 secs Computing kpt #: 191 total cpu time spent up to now is 32.7 secs Computing kpt #: 192 total cpu time spent up to now is 32.8 secs Computing kpt #: 193 total cpu time spent up to now is 33.0 secs Computing kpt #: 194 total cpu time spent up to now is 33.1 secs Computing kpt #: 195 total cpu time spent up to now is 33.3 secs Computing kpt #: 196 total cpu time spent up to now is 33.5 secs Computing kpt #: 197 total cpu time spent up to now is 33.6 secs Computing kpt #: 198 total cpu time spent up to now is 33.8 secs Computing kpt #: 199 total cpu time spent up to now is 34.0 secs Computing kpt #: 200 total cpu time spent up to now is 34.1 secs Computing kpt #: 201 total cpu time spent up to now is 34.3 secs Computing kpt #: 202 total cpu time spent up to now is 34.5 secs Computing kpt #: 203 total cpu time spent up to now is 34.6 secs Computing kpt #: 204 total cpu time spent up to now is 34.8 secs Computing kpt #: 205 total cpu time spent up to now is 35.0 secs Computing kpt #: 206 total cpu time spent up to now is 35.6 secs Computing kpt #: 207 total cpu time spent up to now is 35.7 secs Computing kpt #: 208 total cpu time spent up to now is 35.9 secs Computing kpt #: 209 total cpu time spent up to now is 36.1 secs Computing kpt #: 210 total cpu time spent up to now is 36.3 secs Computing kpt #: 211 total cpu time spent up to now is 36.4 secs Computing kpt #: 212 total cpu time spent up to now is 36.6 secs Computing kpt #: 213 total cpu time spent up to now is 36.8 secs Computing kpt #: 214 total cpu time spent up to now is 36.9 secs Computing kpt #: 215 total cpu time spent up to now is 37.1 secs Computing kpt #: 216 total cpu time spent up to now is 37.3 secs Computing kpt #: 217 total cpu time spent up to now is 37.4 secs Computing kpt #: 218 total cpu time spent up to now is 37.6 secs Computing kpt #: 219 total cpu time spent up to now is 37.8 secs Computing kpt #: 220 total cpu time spent up to now is 37.9 secs Computing kpt #: 221 total cpu time spent up to now is 38.1 secs Computing kpt #: 222 total cpu time spent up to now is 38.3 secs Computing kpt #: 223 total cpu time spent up to now is 38.4 secs Computing kpt #: 224 total cpu time spent up to now is 38.6 secs Computing kpt #: 225 total cpu time spent up to now is 38.8 secs Computing kpt #: 226 total cpu time spent up to now is 38.9 secs Computing kpt #: 227 total cpu time spent up to now is 39.1 secs Computing kpt #: 228 total cpu time spent up to now is 39.3 secs Computing kpt #: 229 total cpu time spent up to now is 39.4 secs Computing kpt #: 230 total cpu time spent up to now is 39.6 secs Computing kpt #: 231 total cpu time spent up to now is 39.8 secs Computing kpt #: 232 total cpu time spent up to now is 40.0 secs Computing kpt #: 233 total cpu time spent up to now is 40.1 secs Computing kpt #: 234 total cpu time spent up to now is 40.3 secs Computing kpt #: 235 total cpu time spent up to now is 40.5 secs Computing kpt #: 236 total cpu time spent up to now is 40.6 secs Computing kpt #: 237 total cpu time spent up to now is 40.8 secs Computing kpt #: 238 total cpu time spent up to now is 41.0 secs Computing kpt #: 239 total cpu time spent up to now is 41.2 secs Computing kpt #: 240 total cpu time spent up to now is 41.3 secs Computing kpt #: 241 total cpu time spent up to now is 41.5 secs Computing kpt #: 242 total cpu time spent up to now is 41.7 secs Computing kpt #: 243 total cpu time spent up to now is 41.8 secs Computing kpt #: 244 total cpu time spent up to now is 42.0 secs Computing kpt #: 245 total cpu time spent up to now is 42.2 secs Computing kpt #: 246 total cpu time spent up to now is 42.4 secs Computing kpt #: 247 total cpu time spent up to now is 42.5 secs Computing kpt #: 248 total cpu time spent up to now is 42.7 secs Computing kpt #: 249 total cpu time spent up to now is 42.9 secs Computing kpt #: 250 total cpu time spent up to now is 43.0 secs Computing kpt #: 251 total cpu time spent up to now is 43.2 secs Computing kpt #: 252 total cpu time spent up to now is 43.4 secs Computing kpt #: 253 total cpu time spent up to now is 43.5 secs Computing kpt #: 254 total cpu time spent up to now is 43.7 secs Computing kpt #: 255 total cpu time spent up to now is 43.9 secs Computing kpt #: 256 total cpu time spent up to now is 44.1 secs Computing kpt #: 257 total cpu time spent up to now is 44.2 secs Computing kpt #: 258 total cpu time spent up to now is 44.4 secs Computing kpt #: 259 total cpu time spent up to now is 44.6 secs Computing kpt #: 260 total cpu time spent up to now is 44.7 secs Computing kpt #: 261 total cpu time spent up to now is 44.9 secs Computing kpt #: 262 total cpu time spent up to now is 45.1 secs Computing kpt #: 263 total cpu time spent up to now is 45.2 secs Computing kpt #: 264 total cpu time spent up to now is 45.4 secs Computing kpt #: 265 total cpu time spent up to now is 45.6 secs Computing kpt #: 266 total cpu time spent up to now is 45.7 secs Computing kpt #: 267 total cpu time spent up to now is 45.9 secs Computing kpt #: 268 total cpu time spent up to now is 46.1 secs Computing kpt #: 269 total cpu time spent up to now is 46.2 secs Computing kpt #: 270 total cpu time spent up to now is 46.4 secs Computing kpt #: 271 total cpu time spent up to now is 46.6 secs Computing kpt #: 272 total cpu time spent up to now is 46.7 secs Computing kpt #: 273 total cpu time spent up to now is 46.9 secs Computing kpt #: 274 total cpu time spent up to now is 47.1 secs Computing kpt #: 275 total cpu time spent up to now is 47.2 secs Computing kpt #: 276 total cpu time spent up to now is 47.4 secs Computing kpt #: 277 total cpu time spent up to now is 47.6 secs Computing kpt #: 278 total cpu time spent up to now is 47.8 secs Computing kpt #: 279 total cpu time spent up to now is 47.9 secs Computing kpt #: 280 total cpu time spent up to now is 48.1 secs Computing kpt #: 281 total cpu time spent up to now is 48.3 secs Computing kpt #: 282 total cpu time spent up to now is 48.4 secs Computing kpt #: 283 total cpu time spent up to now is 48.6 secs Computing kpt #: 284 total cpu time spent up to now is 48.8 secs Computing kpt #: 285 total cpu time spent up to now is 48.9 secs Computing kpt #: 286 total cpu time spent up to now is 49.1 secs Computing kpt #: 287 total cpu time spent up to now is 49.3 secs Computing kpt #: 288 total cpu time spent up to now is 49.4 secs Computing kpt #: 289 total cpu time spent up to now is 49.6 secs Computing kpt #: 290 total cpu time spent up to now is 49.8 secs Computing kpt #: 291 total cpu time spent up to now is 50.0 secs Computing kpt #: 292 total cpu time spent up to now is 50.1 secs Computing kpt #: 293 total cpu time spent up to now is 50.3 secs Computing kpt #: 294 total cpu time spent up to now is 50.5 secs Computing kpt #: 295 total cpu time spent up to now is 50.6 secs Computing kpt #: 296 total cpu time spent up to now is 50.8 secs Computing kpt #: 297 total cpu time spent up to now is 51.0 secs Computing kpt #: 298 total cpu time spent up to now is 51.2 secs Computing kpt #: 299 total cpu time spent up to now is 51.3 secs Computing kpt #: 300 total cpu time spent up to now is 51.5 secs Computing kpt #: 301 total cpu time spent up to now is 51.7 secs Computing kpt #: 302 total cpu time spent up to now is 51.9 secs Computing kpt #: 303 total cpu time spent up to now is 52.0 secs Computing kpt #: 304 total cpu time spent up to now is 52.2 secs Computing kpt #: 305 total cpu time spent up to now is 52.4 secs Computing kpt #: 306 total cpu time spent up to now is 52.5 secs Computing kpt #: 307 total cpu time spent up to now is 52.7 secs Computing kpt #: 308 total cpu time spent up to now is 52.9 secs Computing kpt #: 309 total cpu time spent up to now is 53.1 secs Computing kpt #: 310 total cpu time spent up to now is 53.2 secs Computing kpt #: 311 total cpu time spent up to now is 53.4 secs Computing kpt #: 312 total cpu time spent up to now is 53.6 secs Computing kpt #: 313 total cpu time spent up to now is 53.7 secs Computing kpt #: 314 total cpu time spent up to now is 53.9 secs Computing kpt #: 315 total cpu time spent up to now is 54.1 secs Computing kpt #: 316 total cpu time spent up to now is 54.2 secs Computing kpt #: 317 total cpu time spent up to now is 54.4 secs Computing kpt #: 318 total cpu time spent up to now is 54.6 secs Computing kpt #: 319 total cpu time spent up to now is 54.7 secs Computing kpt #: 320 total cpu time spent up to now is 54.9 secs Computing kpt #: 321 total cpu time spent up to now is 55.1 secs Computing kpt #: 322 total cpu time spent up to now is 55.2 secs Computing kpt #: 323 total cpu time spent up to now is 55.4 secs Computing kpt #: 324 total cpu time spent up to now is 55.5 secs Computing kpt #: 325 total cpu time spent up to now is 55.7 secs Computing kpt #: 326 total cpu time spent up to now is 55.9 secs Computing kpt #: 327 total cpu time spent up to now is 56.0 secs Computing kpt #: 328 total cpu time spent up to now is 56.2 secs Computing kpt #: 329 total cpu time spent up to now is 56.4 secs Computing kpt #: 330 total cpu time spent up to now is 56.5 secs Computing kpt #: 331 total cpu time spent up to now is 56.7 secs Computing kpt #: 332 total cpu time spent up to now is 56.9 secs Computing kpt #: 333 total cpu time spent up to now is 57.0 secs Computing kpt #: 334 total cpu time spent up to now is 57.2 secs Computing kpt #: 335 total cpu time spent up to now is 57.4 secs Computing kpt #: 336 total cpu time spent up to now is 57.6 secs Computing kpt #: 337 total cpu time spent up to now is 57.7 secs Computing kpt #: 338 total cpu time spent up to now is 57.9 secs Computing kpt #: 339 total cpu time spent up to now is 58.1 secs Computing kpt #: 340 total cpu time spent up to now is 58.3 secs Computing kpt #: 341 total cpu time spent up to now is 58.5 secs Computing kpt #: 342 total cpu time spent up to now is 58.7 secs Computing kpt #: 343 total cpu time spent up to now is 58.8 secs Computing kpt #: 344 total cpu time spent up to now is 59.0 secs Computing kpt #: 345 total cpu time spent up to now is 59.2 secs Computing kpt #: 346 total cpu time spent up to now is 59.4 secs Computing kpt #: 347 total cpu time spent up to now is 59.6 secs Computing kpt #: 348 total cpu time spent up to now is 59.7 secs Computing kpt #: 349 total cpu time spent up to now is 59.9 secs Computing kpt #: 350 total cpu time spent up to now is 60.1 secs Computing kpt #: 351 total cpu time spent up to now is 60.3 secs Computing kpt #: 352 total cpu time spent up to now is 60.4 secs Computing kpt #: 353 total cpu time spent up to now is 60.6 secs Computing kpt #: 354 total cpu time spent up to now is 60.8 secs Computing kpt #: 355 total cpu time spent up to now is 61.0 secs Computing kpt #: 356 total cpu time spent up to now is 61.1 secs Computing kpt #: 357 total cpu time spent up to now is 61.3 secs Computing kpt #: 358 total cpu time spent up to now is 61.5 secs Computing kpt #: 359 total cpu time spent up to now is 61.6 secs Computing kpt #: 360 total cpu time spent up to now is 61.8 secs Computing kpt #: 361 total cpu time spent up to now is 62.0 secs Computing kpt #: 362 total cpu time spent up to now is 62.1 secs Computing kpt #: 363 total cpu time spent up to now is 62.3 secs Computing kpt #: 364 total cpu time spent up to now is 62.5 secs Computing kpt #: 365 total cpu time spent up to now is 62.6 secs Computing kpt #: 366 total cpu time spent up to now is 62.8 secs Computing kpt #: 367 total cpu time spent up to now is 63.0 secs Computing kpt #: 368 total cpu time spent up to now is 63.1 secs Computing kpt #: 369 total cpu time spent up to now is 63.3 secs Computing kpt #: 370 total cpu time spent up to now is 63.4 secs Computing kpt #: 371 total cpu time spent up to now is 63.6 secs Computing kpt #: 372 total cpu time spent up to now is 63.8 secs Computing kpt #: 373 total cpu time spent up to now is 63.9 secs Computing kpt #: 374 total cpu time spent up to now is 64.1 secs Computing kpt #: 375 total cpu time spent up to now is 64.3 secs Computing kpt #: 376 total cpu time spent up to now is 64.4 secs Computing kpt #: 377 total cpu time spent up to now is 64.6 secs Computing kpt #: 378 total cpu time spent up to now is 64.8 secs Computing kpt #: 379 total cpu time spent up to now is 64.9 secs Computing kpt #: 380 total cpu time spent up to now is 65.1 secs Computing kpt #: 381 total cpu time spent up to now is 65.2 secs Computing kpt #: 382 total cpu time spent up to now is 65.4 secs Computing kpt #: 383 total cpu time spent up to now is 65.6 secs Computing kpt #: 384 total cpu time spent up to now is 65.7 secs ethr = 3.85E-08, avg # of iterations = 8.9 total cpu time spent up to now is 65.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4765 PWs) bands (ev): -62.5796 -62.5796 -34.6491 -34.6491 -33.7239 -33.7239 -33.5973 -33.5973 -5.7399 -5.7399 -4.1302 -4.1302 2.9275 2.9275 6.1000 6.1000 6.2030 6.2030 8.3841 8.3841 8.3945 8.3945 8.6626 8.6626 8.8934 8.8934 9.5231 9.5231 9.7638 9.7638 11.7216 11.7216 11.9275 11.9275 k = 0.0093 0.0053-0.0000 ( 4769 PWs) bands (ev): -62.5799 -62.5799 -34.6492 -34.6492 -33.7239 -33.7239 -33.5975 -33.5975 -5.7388 -5.7388 -4.1297 -4.1297 2.9285 2.9285 6.0991 6.0991 6.2021 6.2021 8.3819 8.3819 8.3911 8.3911 8.6576 8.6576 8.8951 8.8951 9.5225 9.5225 9.7619 9.7619 11.7191 11.7191 11.9241 11.9241 k = 0.0185 0.0107-0.0000 ( 4773 PWs) bands (ev): -62.5802 -62.5802 -34.6493 -34.6493 -33.7240 -33.7240 -33.5976 -33.5976 -5.7356 -5.7356 -4.1281 -4.1281 2.9324 2.9324 6.0955 6.0955 6.1991 6.1991 8.3731 8.3731 8.3799 8.3799 8.6518 8.6518 8.8999 8.8999 9.5204 9.5204 9.7566 9.7566 11.7109 11.7109 11.9138 11.9138 k = 0.0278 0.0160-0.0000 ( 4789 PWs) bands (ev): -62.5815 -62.5815 -34.6495 -34.6495 -33.7243 -33.7243 -33.5979 -33.5979 -5.7302 -5.7302 -4.1255 -4.1255 2.9388 2.9388 6.0883 6.0883 6.1942 6.1942 8.3541 8.3541 8.3636 8.3636 8.6409 8.6409 8.9071 8.9071 9.5164 9.5164 9.7488 9.7488 11.6956 11.6956 11.8974 11.8974 k = 0.0370 0.0214-0.0000 ( 4797 PWs) bands (ev): -62.5821 -62.5821 -34.6497 -34.6497 -33.7246 -33.7246 -33.5979 -33.5979 -5.7227 -5.7227 -4.1219 -4.1219 2.9481 2.9481 6.0773 6.0773 6.1894 6.1894 8.3253 8.3253 8.3468 8.3468 8.6303 8.6303 8.9160 8.9160 9.5096 9.5096 9.7400 9.7400 11.6740 11.6740 11.8784 11.8784 k = 0.0463 0.0267-0.0000 ( 4813 PWs) bands (ev): -62.5833 -62.5833 -34.6500 -34.6500 -33.7251 -33.7251 -33.5981 -33.5981 -5.7130 -5.7130 -4.1173 -4.1173 2.9600 2.9600 6.0617 6.0617 6.1842 6.1842 8.2869 8.2869 8.3240 8.3240 8.6178 8.6178 8.9254 8.9254 9.4994 9.4994 9.7315 9.7315 11.6451 11.6451 11.8567 11.8567 k = 0.0556 0.0321-0.0000 ( 4813 PWs) bands (ev): -62.5833 -62.5833 -34.6502 -34.6502 -33.7253 -33.7253 -33.5981 -33.5981 -5.7012 -5.7012 -4.1116 -4.1116 2.9745 2.9745 6.0422 6.0422 6.1824 6.1824 8.2401 8.2401 8.2992 8.2992 8.6064 8.6064 8.9350 8.9350 9.4861 9.4861 9.7249 9.7249 11.6111 11.6111 11.8379 11.8379 k = 0.0648 0.0374-0.0000 ( 4813 PWs) bands (ev): -62.5833 -62.5833 -34.6504 -34.6504 -33.7256 -33.7256 -33.5982 -33.5982 -5.6873 -5.6873 -4.1050 -4.1050 2.9917 2.9917 6.0176 6.0176 6.1821 6.1821 8.1830 8.1830 8.2720 8.2720 8.5948 8.5948 8.9436 8.9436 9.4696 9.4696 9.7205 9.7205 11.5712 11.5712 11.8205 11.8205 k = 0.0741 0.0428-0.0000 ( 4817 PWs) bands (ev): -62.5836 -62.5836 -34.6506 -34.6506 -33.7260 -33.7260 -33.5982 -33.5982 -5.6713 -5.6713 -4.0974 -4.0974 3.0114 3.0114 5.9880 5.9880 6.1830 6.1830 8.1151 8.1151 8.2407 8.2407 8.5831 8.5831 8.9502 8.9502 9.4509 9.4509 9.7181 9.7181 11.5271 11.5271 11.8041 11.8041 k = 0.0833 0.0481-0.0000 ( 4822 PWs) bands (ev): -62.5839 -62.5839 -34.6509 -34.6509 -33.7265 -33.7265 -33.5983 -33.5983 -5.6532 -5.6532 -4.0888 -4.0888 3.0338 3.0338 5.9541 5.9541 6.1852 6.1852 8.0368 8.0368 8.2074 8.2074 8.5709 8.5709 8.9541 8.9541 9.4314 9.4314 9.7173 9.7173 11.4807 11.4807 11.7894 11.7894 k = 0.0926 0.0535-0.0000 ( 4826 PWs) bands (ev): -62.5842 -62.5842 -34.6512 -34.6512 -33.7270 -33.7270 -33.5983 -33.5983 -5.6330 -5.6330 -4.0793 -4.0793 3.0587 3.0587 5.9163 5.9163 6.1886 6.1886 7.9479 7.9479 8.1726 8.1726 8.5591 8.5591 8.9544 8.9544 9.4120 9.4120 9.7174 9.7174 11.4343 11.4343 11.7764 11.7764 k = 0.1019 0.0588-0.0000 ( 4832 PWs) bands (ev): -62.5846 -62.5846 -34.6516 -34.6516 -33.7275 -33.7275 -33.5984 -33.5984 -5.6108 -5.6108 -4.0689 -4.0689 3.0861 3.0861 5.8750 5.8750 6.1930 6.1930 7.8491 7.8491 8.1359 8.1359 8.5467 8.5467 8.9501 8.9501 9.3939 9.3939 9.7176 9.7176 11.3893 11.3893 11.7648 11.7648 k = 0.1111 0.0642-0.0000 ( 4834 PWs) bands (ev): -62.5847 -62.5847 -34.6519 -34.6519 -33.7281 -33.7281 -33.5985 -33.5985 -5.5866 -5.5866 -4.0576 -4.0576 3.1161 3.1161 5.8312 5.8312 6.1984 6.1984 7.7423 7.7423 8.0982 8.0982 8.5337 8.5337 8.9405 8.9405 9.3788 9.3788 9.7176 9.7176 11.3479 11.3479 11.7548 11.7548 k = 0.1204 0.0695-0.0000 ( 4828 PWs) bands (ev): -62.5842 -62.5842 -34.6522 -34.6522 -33.7285 -33.7285 -33.5985 -33.5985 -5.5604 -5.5604 -4.0455 -4.0455 3.1485 3.1485 5.7863 5.7863 6.2041 6.2041 7.6290 7.6290 8.0591 8.0591 8.5214 8.5214 8.9249 8.9249 9.3675 9.3675 9.7165 9.7165 11.3136 11.3136 11.7456 11.7456 k = 0.1296 0.0748-0.0000 ( 4826 PWs) bands (ev): -62.5840 -62.5840 -34.6525 -34.6525 -33.7290 -33.7290 -33.5985 -33.5985 -5.5323 -5.5323 -4.0326 -4.0326 3.1834 3.1834 5.7385 5.7385 6.2104 6.2104 7.5081 7.5081 8.0195 8.0195 8.5079 8.5079 8.9025 8.9025 9.3587 9.3587 9.7141 9.7141 11.2835 11.2835 11.7379 11.7379 k = 0.1389 0.0802-0.0000 ( 4824 PWs) bands (ev): -62.5838 -62.5838 -34.6528 -34.6528 -33.7296 -33.7296 -33.5985 -33.5985 -5.5023 -5.5023 -4.0189 -4.0189 3.2207 3.2207 5.6883 5.6883 6.2172 6.2172 7.3813 7.3813 7.9801 7.9801 8.4937 8.4937 8.8733 8.8733 9.3526 9.3526 9.7103 9.7103 11.2588 11.2588 11.7318 11.7318 k = 0.1481 0.0855-0.0000 ( 4826 PWs) bands (ev): -62.5839 -62.5839 -34.6532 -34.6532 -33.7303 -33.7303 -33.5986 -33.5986 -5.4705 -5.4705 -4.0046 -4.0046 3.2603 3.2603 5.6361 5.6361 6.2239 6.2239 7.2496 7.2496 7.9404 7.9404 8.4780 8.4780 8.8374 8.8374 9.3489 9.3489 9.7045 9.7045 11.2400 11.2400 11.7269 11.7269 k = 0.1574 0.0909-0.0000 ( 4824 PWs) bands (ev): -62.5837 -62.5837 -34.6536 -34.6536 -33.7309 -33.7309 -33.5985 -33.5985 -5.4368 -5.4368 -3.9895 -3.9895 3.3024 3.3024 5.5826 5.5826 6.2308 6.2308 7.1145 7.1145 7.9010 7.9010 8.4609 8.4609 8.7957 8.7957 9.3483 9.3483 9.6968 9.6968 11.2284 11.2284 11.7235 11.7235 k = 0.1667 0.0962-0.0000 ( 4824 PWs) bands (ev): -62.5837 -62.5837 -34.6541 -34.6541 -33.7317 -33.7317 -33.5985 -33.5985 -5.4013 -5.4013 -3.9738 -3.9738 3.3468 3.3468 5.5276 5.5276 6.2371 6.2371 6.9766 6.9766 7.8616 7.8616 8.4412 8.4412 8.7495 8.7495 9.3501 9.3501 9.6865 9.6865 11.2229 11.2229 11.7211 11.7211 k = 0.1759 0.1016-0.0000 ( 4828 PWs) bands (ev): -62.5840 -62.5840 -34.6545 -34.6545 -33.7325 -33.7325 -33.5985 -33.5985 -5.3641 -5.3641 -3.9576 -3.9576 3.3933 3.3933 5.4708 5.4708 6.2440 6.2440 6.8360 6.8360 7.8233 7.8233 8.4163 8.4163 8.7005 8.7005 9.3526 9.3526 9.6750 9.6750 11.2214 11.2214 11.7208 11.7208 k = 0.1852 0.1069-0.0000 ( 4832 PWs) bands (ev): -62.5842 -62.5842 -34.6550 -34.6550 -33.7333 -33.7333 -33.5986 -33.5986 -5.3253 -5.3253 -3.9408 -3.9408 3.4419 3.4419 5.4133 5.4133 6.2501 6.2501 6.6946 6.6946 7.7853 7.7853 8.3854 8.3854 8.6516 8.6516 9.3575 9.3575 9.6608 9.6608 11.2260 11.2260 11.7214 11.7214 k = 0.1944 0.1123-0.0000 ( 4832 PWs) bands (ev): -62.5842 -62.5842 -34.6555 -34.6555 -33.7341 -33.7341 -33.5986 -33.5986 -5.2849 -5.2849 -3.9236 -3.9236 3.4926 3.4926 5.3544 5.3544 6.2568 6.2568 6.5532 6.5532 7.7491 7.7491 8.3452 8.3452 8.6058 8.6058 9.3643 9.3643 9.6463 9.6463 11.2346 11.2346 11.7243 11.7243 k = 0.2037 0.1176-0.0000 ( 4834 PWs) bands (ev): -62.5843 -62.5843 -34.6560 -34.6560 -33.7349 -33.7349 -33.5986 -33.5986 -5.2429 -5.2429 -3.9060 -3.9060 3.5454 3.5454 5.2946 5.2946 6.2618 6.2618 6.4126 6.4126 7.7135 7.7135 8.2953 8.2953 8.5656 8.5656 9.3726 9.3726 9.6284 9.6284 11.2476 11.2476 11.7282 11.7282 k = 0.2130 0.1230-0.0000 ( 4830 PWs) bands (ev): -62.5839 -62.5839 -34.6565 -34.6565 -33.7357 -33.7357 -33.5985 -33.5985 -5.1995 -5.1995 -3.8881 -3.8881 3.6001 3.6001 5.2337 5.2337 6.2558 6.2558 6.2849 6.2849 7.6796 7.6796 8.2356 8.2356 8.5324 8.5324 9.3817 9.3817 9.6106 9.6106 11.2641 11.2641 11.7336 11.7336 k = 0.2222 0.1283-0.0000 ( 4834 PWs) bands (ev): -62.5841 -62.5841 -34.6570 -34.6570 -33.7366 -33.7366 -33.5986 -33.5986 -5.1547 -5.1547 -3.8700 -3.8700 3.6566 3.6566 5.1707 5.1707 6.1320 6.1320 6.2757 6.2757 7.6466 7.6466 8.1668 8.1668 8.5047 8.5047 9.3897 9.3897 9.5907 9.5907 11.2812 11.2812 11.7399 11.7399 k = 0.2315 0.1336-0.0000 ( 4824 PWs) bands (ev): -62.5833 -62.5833 -34.6574 -34.6574 -33.7373 -33.7373 -33.5984 -33.5984 -5.1085 -5.1085 -3.8517 -3.8517 3.7150 3.7150 5.1065 5.1065 5.9984 5.9984 6.2798 6.2798 7.6154 7.6154 8.0917 8.0917 8.4834 8.4834 9.4012 9.4012 9.5707 9.5707 11.3021 11.3021 11.7475 11.7475 k = 0.2407 0.1390-0.0000 ( 4822 PWs) bands (ev): -62.5831 -62.5831 -34.6579 -34.6579 -33.7381 -33.7381 -33.5984 -33.5984 -5.0612 -5.0612 -3.8334 -3.8334 3.7747 3.7747 5.0400 5.0400 5.8678 5.8678 6.2838 6.2838 7.5855 7.5855 8.0113 8.0113 8.4638 8.4638 9.4103 9.4103 9.5503 9.5503 11.3222 11.3222 11.7561 11.7561 k = 0.2500 0.1443-0.0000 ( 4822 PWs) bands (ev): -62.5830 -62.5830 -34.6584 -34.6584 -33.7389 -33.7389 -33.5984 -33.5984 -5.0127 -5.0127 -3.8150 -3.8150 3.8359 3.8359 4.9709 4.9709 5.7421 5.7421 6.2867 6.2867 7.5563 7.5563 7.9282 7.9282 8.4467 8.4467 9.4184 9.4184 9.5300 9.5300 11.3421 11.3421 11.7646 11.7646 k = 0.2593 0.1497-0.0000 ( 4818 PWs) bands (ev): -62.5826 -62.5826 -34.6588 -34.6588 -33.7397 -33.7397 -33.5983 -33.5983 -4.9632 -4.9632 -3.7968 -3.7968 3.8982 3.8982 4.8989 4.8989 5.6227 5.6227 6.2890 6.2890 7.5281 7.5281 7.8440 7.8440 8.4321 8.4321 9.4244 9.4244 9.5120 9.5120 11.3619 11.3619 11.7741 11.7741 k = 0.2685 0.1550-0.0000 ( 4818 PWs) bands (ev): -62.5825 -62.5825 -34.6593 -34.6593 -33.7405 -33.7405 -33.5984 -33.5984 -4.9127 -4.9127 -3.7788 -3.7788 3.9612 3.9612 4.8236 4.8236 5.5101 5.5101 6.2902 6.2902 7.4997 7.4997 7.7602 7.7602 8.4179 8.4179 9.4242 9.4242 9.4989 9.4989 11.3798 11.3798 11.7835 11.7835 k = 0.2778 0.1604-0.0000 ( 4816 PWs) bands (ev): -62.5823 -62.5823 -34.6598 -34.6598 -33.7413 -33.7413 -33.5983 -33.5983 -4.8614 -4.8614 -3.7610 -3.7610 4.0243 4.0243 4.7449 4.7449 5.4055 5.4055 6.2908 6.2908 7.4695 7.4695 7.6799 7.6799 8.4052 8.4052 9.4156 9.4156 9.4939 9.4939 11.3960 11.3960 11.7935 11.7935 k = 0.2870 0.1657-0.0000 ( 4818 PWs) bands (ev): -62.5823 -62.5823 -34.6603 -34.6603 -33.7421 -33.7421 -33.5984 -33.5984 -4.8094 -4.8094 -3.7437 -3.7437 4.0863 4.0863 4.6640 4.6640 5.3093 5.3093 6.2902 6.2902 7.4332 7.4332 7.6068 7.6068 8.3924 8.3924 9.3992 9.3992 9.4959 9.4959 11.4093 11.4093 11.8033 11.8033 k = 0.2963 0.1711-0.0000 ( 4818 PWs) bands (ev): -62.5822 -62.5822 -34.6608 -34.6608 -33.7429 -33.7429 -33.5983 -33.5983 -4.7568 -4.7568 -3.7269 -3.7269 4.1447 4.1447 4.5831 4.5831 5.2222 5.2222 6.2885 6.2885 7.3850 7.3850 7.5480 7.5480 8.3818 8.3818 9.3778 9.3778 9.5007 9.5007 11.4214 11.4214 11.8130 11.8130 k = 0.3056 0.1764-0.0000 ( 4822 PWs) bands (ev): -62.5825 -62.5825 -34.6613 -34.6613 -33.7438 -33.7438 -33.5984 -33.5984 -4.7038 -4.7038 -3.7107 -3.7107 4.1924 4.1924 4.5106 4.5106 5.1432 5.1432 6.2858 6.2858 7.3214 7.3214 7.5065 7.5065 8.3701 8.3701 9.3541 9.3541 9.5082 9.5082 11.4292 11.4292 11.8225 11.8225 k = 0.3148 0.1818-0.0000 ( 4814 PWs) bands (ev): -62.5818 -62.5818 -34.6617 -34.6617 -33.7444 -33.7444 -33.5983 -33.5983 -4.6504 -4.6504 -3.6953 -3.6953 4.2107 4.2107 4.4657 4.4657 5.0723 5.0723 6.2831 6.2831 7.2475 7.2475 7.4795 7.4795 8.3599 8.3599 9.3316 9.3316 9.5183 9.5183 11.4353 11.4353 11.8331 11.8331 k = 0.3241 0.1871-0.0000 ( 4814 PWs) bands (ev): -62.5817 -62.5817 -34.6622 -34.6622 -33.7452 -33.7452 -33.5983 -33.5983 -4.5968 -4.5968 -3.6807 -3.6807 4.1772 4.1772 4.4714 4.4714 5.0085 5.0085 6.2785 6.2785 7.1680 7.1680 7.4602 7.4602 8.3499 8.3499 9.3076 9.3076 9.5272 9.5272 11.4374 11.4374 11.8414 11.8414 k = 0.3333 0.1925-0.0000 ( 4818 PWs) bands (ev): -62.5819 -62.5819 -34.6626 -34.6626 -33.7459 -33.7459 -33.5984 -33.5984 -4.5432 -4.5432 -3.6672 -3.6672 4.1056 4.1056 4.5145 4.5145 4.9514 4.9514 6.2735 6.2735 7.0865 7.0865 7.4460 7.4460 8.3402 8.3402 9.2832 9.2832 9.5338 9.5338 11.4352 11.4352 11.8502 11.8502 k = 0.3426 0.1978-0.0000 ( 4818 PWs) bands (ev): -62.5818 -62.5818 -34.6631 -34.6631 -33.7467 -33.7467 -33.5983 -33.5983 -4.4898 -4.4898 -3.6547 -3.6547 4.0193 4.0193 4.5726 4.5726 4.9008 4.9008 6.2681 6.2681 7.0046 7.0046 7.4354 7.4354 8.3321 8.3321 9.2600 9.2600 9.5394 9.5394 11.4304 11.4304 11.8590 11.8590 k = 0.3519 0.2031-0.0000 ( 4818 PWs) bands (ev): -62.5818 -62.5818 -34.6635 -34.6635 -33.7474 -33.7474 -33.5983 -33.5983 -4.4366 -4.4366 -3.6435 -3.6435 3.9288 3.9288 4.6341 4.6341 4.8577 4.8577 6.2622 6.2622 6.9234 6.9234 7.4274 7.4274 8.3236 8.3236 9.2378 9.2378 9.5449 9.5449 11.4224 11.4224 11.8672 11.8672 k = 0.3611 0.2085-0.0000 ( 4816 PWs) bands (ev): -62.5815 -62.5815 -34.6639 -34.6639 -33.7480 -33.7480 -33.5983 -33.5983 -4.3839 -4.3839 -3.6336 -3.6336 3.8383 3.8383 4.6896 4.6896 4.8279 4.8279 6.2557 6.2557 6.8438 6.8438 7.4212 7.4212 8.3152 8.3152 9.2157 9.2157 9.5512 9.5512 11.4125 11.4125 11.8750 11.8750 k = 0.3704 0.2138-0.0000 ( 4820 PWs) bands (ev): -62.5818 -62.5818 -34.6643 -34.6643 -33.7486 -33.7486 -33.5984 -33.5984 -4.3318 -4.3318 -3.6252 -3.6252 3.7492 3.7492 4.7145 4.7145 4.8340 4.8340 6.2487 6.2487 6.7652 6.7652 7.4165 7.4165 8.3073 8.3073 9.1933 9.1933 9.5543 9.5543 11.3992 11.3992 11.8821 11.8821 k = 0.3796 0.2192-0.0000 ( 4822 PWs) bands (ev): -62.5819 -62.5819 -34.6647 -34.6647 -33.7492 -33.7492 -33.5984 -33.5984 -4.2806 -4.2806 -3.6185 -3.6185 3.6631 3.6631 4.6997 4.6997 4.8839 4.8839 6.2421 6.2421 6.6880 6.6880 7.4135 7.4135 8.2990 8.2990 9.1745 9.1745 9.5573 9.5573 11.3824 11.3824 11.8898 11.8898 k = 0.3889 0.2245-0.0000 ( 4818 PWs) bands (ev): -62.5815 -62.5815 -34.6650 -34.6650 -33.7497 -33.7497 -33.5983 -33.5983 -4.2303 -4.2303 -3.6134 -3.6134 3.5811 3.5811 4.6733 4.6733 4.9491 4.9491 6.2355 6.2355 6.6127 6.6127 7.4116 7.4116 8.2928 8.2928 9.1571 9.1571 9.5587 9.5587 11.3664 11.3664 11.8971 11.8971 k = 0.3981 0.2299-0.0000 ( 4818 PWs) bands (ev): -62.5814 -62.5814 -34.6653 -34.6653 -33.7503 -33.7503 -33.5983 -33.5983 -4.1813 -4.1813 -3.6102 -3.6102 3.5037 3.5037 4.6458 4.6458 5.0184 5.0184 6.2285 6.2285 6.5391 6.5391 7.4104 7.4104 8.2866 8.2866 9.1400 9.1400 9.5591 9.5591 11.3486 11.3486 11.9036 11.9036 k = 0.4074 0.2352-0.0000 ( 4824 PWs) bands (ev): -62.5819 -62.5819 -34.6657 -34.6657 -33.7508 -33.7508 -33.5984 -33.5984 -4.1337 -4.1337 -3.6090 -3.6090 3.4311 3.4311 4.6197 4.6197 5.0888 5.0888 6.2213 6.2213 6.4675 6.4675 7.4099 7.4099 8.2796 8.2796 9.1232 9.1232 9.5576 9.5576 11.3291 11.3291 11.9095 11.9095 k = 0.4167 0.2406-0.0000 ( 4828 PWs) bands (ev): -62.5821 -62.5821 -34.6660 -34.6660 -33.7513 -33.7513 -33.5985 -33.5985 -4.0877 -4.0877 -3.6097 -3.6097 3.3644 3.3644 4.5958 4.5958 5.1594 5.1594 6.2129 6.2129 6.3981 6.3981 7.4099 7.4099 8.2744 8.2744 9.1083 9.1083 9.5554 9.5554 11.3110 11.3110 11.9132 11.9132 k = 0.4259 0.2459-0.0000 ( 4828 PWs) bands (ev): -62.5821 -62.5821 -34.6662 -34.6662 -33.7517 -33.7517 -33.5985 -33.5985 -4.0435 -4.0435 -3.6125 -3.6125 3.3035 3.3035 4.5743 4.5743 5.2297 5.2297 6.2043 6.2043 6.3317 6.3317 7.4105 7.4105 8.2700 8.2700 9.0963 9.0963 9.5516 9.5516 11.2939 11.2939 11.9182 11.9182 k = 0.4352 0.2513-0.0000 ( 4830 PWs) bands (ev): -62.5822 -62.5822 -34.6665 -34.6665 -33.7521 -33.7521 -33.5985 -33.5985 -4.0014 -4.0014 -3.6174 -3.6174 3.2491 3.2491 4.5553 4.5553 5.2993 5.2993 6.1913 6.1913 6.2717 6.2717 7.4112 7.4112 8.2653 8.2653 9.0842 9.0842 9.5486 9.5486 11.2774 11.2774 11.9226 11.9226 k = 0.4444 0.2566-0.0000 ( 4834 PWs) bands (ev): -62.5825 -62.5825 -34.6667 -34.6667 -33.7524 -33.7524 -33.5985 -33.5985 -3.9617 -3.9617 -3.6243 -3.6243 3.2012 3.2012 4.5387 4.5387 5.3680 5.3680 6.1619 6.1619 6.2297 6.2297 7.4121 7.4121 8.2613 8.2613 9.0737 9.0737 9.5444 9.5444 11.2619 11.2619 11.9262 11.9262 k = 0.4537 0.2619-0.0000 ( 4838 PWs) bands (ev): -62.5828 -62.5828 -34.6669 -34.6669 -33.7528 -33.7528 -33.5986 -33.5986 -3.9247 -3.9247 -3.6331 -3.6331 3.1602 3.1602 4.5247 4.5247 5.4355 5.4355 6.1103 6.1103 6.2118 6.2118 7.4129 7.4129 8.2583 8.2583 9.0636 9.0636 9.5400 9.5400 11.2490 11.2490 11.9287 11.9287 k = 0.4630 0.2673-0.0000 ( 4834 PWs) bands (ev): -62.5825 -62.5825 -34.6670 -34.6670 -33.7529 -33.7529 -33.5985 -33.5985 -3.8910 -3.8910 -3.6435 -3.6435 3.1265 3.1265 4.5133 4.5133 5.5015 5.5015 6.0512 6.0512 6.2042 6.2042 7.4138 7.4138 8.2561 8.2561 9.0578 9.0578 9.5370 9.5370 11.2386 11.2386 11.9320 11.9320 k = 0.4722 0.2726-0.0000 ( 4832 PWs) bands (ev): -62.5823 -62.5823 -34.6671 -34.6671 -33.7531 -33.7531 -33.5985 -33.5985 -3.8613 -3.8613 -3.6549 -3.6549 3.1001 3.1001 4.5043 4.5043 5.5652 5.5652 5.9914 5.9914 6.1999 6.1999 7.4146 7.4146 8.2537 8.2537 9.0515 9.0515 9.5377 9.5377 11.2291 11.2291 11.9346 11.9346 k = 0.4815 0.2780-0.0000 ( 4828 PWs) bands (ev): -62.5820 -62.5820 -34.6671 -34.6671 -33.7531 -33.7531 -33.5984 -33.5984 -3.8369 -3.8369 -3.6661 -3.6661 3.0811 3.0811 4.4980 4.4980 5.6254 5.6254 5.9344 5.9344 6.1970 6.1970 7.4152 7.4152 8.2531 8.2531 9.0476 9.0476 9.5358 9.5358 11.2239 11.2239 11.9361 11.9361 k = 0.4907 0.2833-0.0000 ( 4830 PWs) bands (ev): -62.5821 -62.5821 -34.6672 -34.6672 -33.7532 -33.7532 -33.5985 -33.5985 -3.8202 -3.8202 -3.6749 -3.6749 3.0696 3.0696 4.4942 4.4942 5.6755 5.6755 5.8856 5.8856 6.1954 6.1954 7.4155 7.4155 8.2521 8.2521 9.0451 9.0451 9.5337 9.5337 11.2198 11.2198 11.9369 11.9369 k = 0.5000 0.2887-0.0000 ( 4822 PWs) bands (ev): -62.5815 -62.5815 -34.6671 -34.6671 -33.7531 -33.7531 -33.5984 -33.5984 -3.8140 -3.8140 -3.6784 -3.6784 3.0659 3.0659 4.4929 4.4929 5.6989 5.6989 5.8629 5.8629 6.1951 6.1951 7.4157 7.4157 8.2528 8.2528 9.0474 9.0474 9.5337 9.5337 11.2197 11.2197 11.9376 11.9376 k = 0.5000 0.2887-0.0000 ( 4822 PWs) bands (ev): -62.5815 -62.5815 -34.6671 -34.6671 -33.7531 -33.7531 -33.5984 -33.5984 -3.8140 -3.8140 -3.6784 -3.6784 3.0659 3.0659 4.4929 4.4929 5.6989 5.6989 5.8629 5.8629 6.1951 6.1951 7.4157 7.4157 8.2528 8.2528 9.0474 9.0474 9.5337 9.5337 11.2197 11.2197 11.9376 11.9376 k = 0.4946 0.2980-0.0000 ( 4830 PWs) bands (ev): -62.5821 -62.5821 -34.6672 -34.6672 -33.7533 -33.7533 -33.5984 -33.5984 -3.8136 -3.8136 -3.6780 -3.6780 3.0672 3.0672 4.4930 4.4930 5.6985 5.6985 5.8613 5.8613 6.1964 6.1964 7.4000 7.4000 8.2633 8.2633 9.0452 9.0452 9.5333 9.5333 11.2178 11.2178 11.9295 11.9295 k = 0.4892 0.3073-0.0000 ( 4828 PWs) bands (ev): -62.5820 -62.5820 -34.6672 -34.6672 -33.7532 -33.7532 -33.5985 -33.5985 -3.8124 -3.8124 -3.6767 -3.6767 3.0710 3.0710 4.4934 4.4934 5.6995 5.6995 5.8565 5.8565 6.2011 6.2011 7.3555 7.3555 8.2954 8.2954 9.0481 9.0481 9.5321 9.5321 11.2164 11.2164 11.9069 11.9069 k = 0.4839 0.3166-0.0000 ( 4832 PWs) bands (ev): -62.5823 -62.5823 -34.6672 -34.6672 -33.7533 -33.7533 -33.5986 -33.5986 -3.8105 -3.8105 -3.6746 -3.6746 3.0772 3.0772 4.4941 4.4941 5.7012 5.7012 5.8491 5.8491 6.2072 6.2072 7.2882 7.2882 8.3423 8.3423 9.0498 9.0498 9.5305 9.5305 11.2133 11.2133 11.8684 11.8684 k = 0.4785 0.3259-0.0000 ( 4836 PWs) bands (ev): -62.5826 -62.5826 -34.6673 -34.6673 -33.7534 -33.7534 -33.5986 -33.5986 -3.8077 -3.8077 -3.6717 -3.6717 3.0860 3.0860 4.4950 4.4950 5.7028 5.7028 5.8396 5.8396 6.2153 6.2153 7.2042 7.2042 8.3983 8.3983 9.0520 9.0520 9.5295 9.5295 11.2088 11.2088 11.8174 11.8174 k = 0.4731 0.3352-0.0000 ( 4834 PWs) bands (ev): -62.5825 -62.5825 -34.6673 -34.6673 -33.7535 -33.7535 -33.5986 -33.5986 -3.8041 -3.8041 -3.6680 -3.6680 3.0972 3.0972 4.4960 4.4960 5.7056 5.7056 5.8290 5.8290 6.2246 6.2246 7.1085 7.1085 8.4599 8.4599 9.0547 9.0547 9.5294 9.5294 11.2045 11.2045 11.7563 11.7563 k = 0.4677 0.3445-0.0000 ( 4838 PWs) bands (ev): -62.5828 -62.5828 -34.6674 -34.6674 -33.7536 -33.7536 -33.5987 -33.5987 -3.7998 -3.7998 -3.6636 -3.6636 3.1110 3.1110 4.4972 4.4972 5.7073 5.7073 5.8180 5.8180 6.2337 6.2337 7.0048 7.0048 8.5217 8.5217 9.0591 9.0591 9.5278 9.5278 11.1979 11.1979 11.6857 11.6857 k = 0.4624 0.3539-0.0000 ( 4826 PWs) bands (ev): -62.5818 -62.5818 -34.6673 -34.6673 -33.7534 -33.7534 -33.5986 -33.5986 -3.7948 -3.7948 -3.6584 -3.6584 3.1274 3.1274 4.4985 4.4985 5.7089 5.7089 5.8080 5.8080 6.2433 6.2433 6.8961 6.8961 8.5845 8.5845 9.0687 9.0687 9.5272 9.5272 11.1924 11.1924 11.6108 11.6108 k = 0.4570 0.3632-0.0000 ( 4830 PWs) bands (ev): -62.5822 -62.5822 -34.6674 -34.6674 -33.7536 -33.7536 -33.5986 -33.5986 -3.7890 -3.7890 -3.6526 -3.6526 3.1460 3.1460 4.4998 4.4998 5.7080 5.7080 5.7994 5.7994 6.2513 6.2513 6.7845 6.7845 8.6434 8.6434 9.0731 9.0731 9.5253 9.5253 11.1832 11.1832 11.5310 11.5310 k = 0.4516 0.3725-0.0000 ( 4836 PWs) bands (ev): -62.5826 -62.5826 -34.6676 -34.6676 -33.7538 -33.7538 -33.5987 -33.5987 -3.7825 -3.7825 -3.6462 -3.6462 3.1671 3.1671 4.5010 4.5010 5.7040 5.7040 5.7929 5.7929 6.2563 6.2563 6.6723 6.6723 8.6985 8.6985 9.0820 9.0820 9.5236 9.5236 11.1710 11.1710 11.4473 11.4473 k = 0.4462 0.3818-0.0000 ( 4828 PWs) bands (ev): -62.5820 -62.5820 -34.6676 -34.6676 -33.7538 -33.7538 -33.5987 -33.5987 -3.7754 -3.7754 -3.6392 -3.6392 3.1907 3.1907 4.5021 4.5021 5.6980 5.6980 5.7892 5.7892 6.2577 6.2577 6.5634 6.5634 8.7511 8.7511 9.0941 9.0941 9.5231 9.5231 11.1591 11.1591 11.3659 11.3659 k = 0.4409 0.3911-0.0000 ( 4830 PWs) bands (ev): -62.5821 -62.5821 -34.6677 -34.6677 -33.7540 -33.7540 -33.5987 -33.5987 -3.7677 -3.7677 -3.6317 -3.6317 3.2166 3.2166 4.5029 4.5029 5.6885 5.6885 5.7868 5.7868 6.2490 6.2490 6.4639 6.4639 8.7990 8.7990 9.1049 9.1049 9.5225 9.5225 11.1432 11.1432 11.2834 11.2834 k = 0.4355 0.4004-0.0000 ( 4832 PWs) bands (ev): -62.5823 -62.5823 -34.6678 -34.6678 -33.7542 -33.7542 -33.5988 -33.5988 -3.7593 -3.7593 -3.6239 -3.6239 3.2448 3.2448 4.5033 4.5033 5.6761 5.6761 5.7845 5.7845 6.2194 6.2194 6.3878 6.3878 8.8430 8.8430 9.1148 9.1148 9.5225 9.5225 11.1230 11.1230 11.2056 11.2056 k = 0.4301 0.4097-0.0000 ( 4836 PWs) bands (ev): -62.5827 -62.5827 -34.6679 -34.6679 -33.7544 -33.7544 -33.5988 -33.5988 -3.7504 -3.7504 -3.6157 -3.6157 3.2752 3.2752 4.5034 4.5034 5.6595 5.6595 5.7799 5.7799 6.1607 6.1607 6.3471 6.3471 8.8820 8.8820 9.1267 9.1267 9.5227 9.5227 11.0861 11.0861 11.1441 11.1441 k = 0.4247 0.4190-0.0000 ( 4841 PWs) bands (ev): -62.5831 -62.5831 -34.6681 -34.6681 -33.7546 -33.7546 -33.5989 -33.5989 -3.7409 -3.7409 -3.6073 -3.6073 3.3079 3.3079 4.5030 4.5030 5.6354 5.6354 5.7710 5.7710 6.0912 6.0912 6.3289 6.3289 8.9167 8.9167 9.1399 9.1399 9.5241 9.5241 11.0233 11.0233 11.1087 11.1087 k = 0.4194 0.4284-0.0000 ( 4843 PWs) bands (ev): -62.5832 -62.5832 -34.6682 -34.6682 -33.7548 -33.7548 -33.5990 -33.5990 -3.7310 -3.7310 -3.5988 -3.5988 3.3428 3.3428 4.5019 4.5019 5.5979 5.5979 5.7576 5.7576 6.0330 6.0330 6.3184 6.3184 8.9466 8.9466 9.1561 9.1561 9.5258 9.5258 10.9537 10.9537 11.0830 11.0830 k = 0.4140 0.4377-0.0000 ( 4839 PWs) bands (ev): -62.5829 -62.5829 -34.6682 -34.6682 -33.7549 -33.7549 -33.5989 -33.5989 -3.7206 -3.7206 -3.5903 -3.5903 3.3801 3.3801 4.5003 4.5003 5.5407 5.5407 5.7438 5.7438 5.9951 5.9951 6.3094 6.3094 8.9724 8.9724 9.1765 9.1765 9.5294 9.5294 10.8862 10.8862 11.0583 11.0583 k = 0.4086 0.4470-0.0000 ( 4843 PWs) bands (ev): -62.5832 -62.5832 -34.6684 -34.6684 -33.7551 -33.7551 -33.5991 -33.5991 -3.7099 -3.7099 -3.5820 -3.5820 3.4190 3.4190 4.4979 4.4979 5.4644 5.4644 5.7338 5.7338 5.9748 5.9748 6.2998 6.2998 8.9923 8.9923 9.1971 9.1971 9.5302 9.5302 10.8230 10.8230 11.0315 11.0315 k = 0.4032 0.4563-0.0000 ( 4835 PWs) bands (ev): -62.5826 -62.5826 -34.6684 -34.6684 -33.7551 -33.7551 -33.5991 -33.5991 -3.6989 -3.6989 -3.5738 -3.5738 3.4601 3.4601 4.4949 4.4949 5.3747 5.3747 5.7291 5.7291 5.9671 5.9671 6.2890 6.2890 9.0105 9.0105 9.2186 9.2186 9.5351 9.5351 10.7657 10.7657 11.0055 11.0055 k = 0.3978 0.4656-0.0000 ( 4833 PWs) bands (ev): -62.5825 -62.5825 -34.6684 -34.6684 -33.7552 -33.7552 -33.5991 -33.5991 -3.6875 -3.6875 -3.5660 -3.5660 3.5031 3.5031 4.4908 4.4908 5.2777 5.2777 5.7289 5.7289 5.9659 5.9659 6.2763 6.2763 9.0246 9.0246 9.2410 9.2410 9.5396 9.5396 10.7120 10.7120 10.9767 10.9767 k = 0.3925 0.4749-0.0000 ( 4833 PWs) bands (ev): -62.5825 -62.5825 -34.6685 -34.6685 -33.7554 -33.7554 -33.5991 -33.5991 -3.6760 -3.6760 -3.5587 -3.5587 3.5478 3.5478 4.4858 4.4858 5.1781 5.1781 5.7325 5.7325 5.9681 5.9681 6.2619 6.2619 9.0351 9.0351 9.2627 9.2627 9.5446 9.5446 10.6637 10.6637 10.9466 10.9466 k = 0.3871 0.4842-0.0000 ( 4837 PWs) bands (ev): -62.5828 -62.5828 -34.6687 -34.6687 -33.7556 -33.7556 -33.5991 -33.5991 -3.6643 -3.6643 -3.5521 -3.5521 3.5941 3.5941 4.4799 4.4799 5.0786 5.0786 5.7397 5.7397 5.9714 5.9714 6.2460 6.2460 9.0421 9.0421 9.2860 9.2860 9.5484 9.5484 10.6213 10.6213 10.9136 10.9136 k = 0.3817 0.4935-0.0000 ( 4837 PWs) bands (ev): -62.5828 -62.5828 -34.6688 -34.6688 -33.7558 -33.7558 -33.5992 -33.5992 -3.6525 -3.6525 -3.5462 -3.5462 3.6418 3.6418 4.4729 4.4729 4.9813 4.9813 5.7501 5.7501 5.9750 5.9750 6.2288 6.2288 9.0466 9.0466 9.3110 9.3110 9.5521 9.5521 10.5861 10.5861 10.8796 10.8796 k = 0.3763 0.5029-0.0000 ( 4837 PWs) bands (ev): -62.5828 -62.5828 -34.6689 -34.6689 -33.7559 -33.7559 -33.5992 -33.5992 -3.6408 -3.6408 -3.5413 -3.5413 3.6906 3.6906 4.4648 4.4648 4.8878 4.8878 5.7632 5.7632 5.9785 5.9785 6.2106 6.2106 9.0494 9.0494 9.3351 9.3351 9.5554 9.5554 10.5573 10.5573 10.8448 10.8448 k = 0.3710 0.5122-0.0000 ( 4841 PWs) bands (ev): -62.5831 -62.5831 -34.6690 -34.6690 -33.7561 -33.7561 -33.5993 -33.5993 -3.6290 -3.6290 -3.5375 -3.5375 3.7400 3.7400 4.4550 4.4550 4.7995 4.7995 5.7788 5.7788 5.9808 5.9808 6.1916 6.1916 9.0502 9.0502 9.3586 9.3586 9.5573 9.5573 10.5334 10.5334 10.8091 10.8091 k = 0.3656 0.5215-0.0000 ( 4845 PWs) bands (ev): -62.5834 -62.5834 -34.6691 -34.6691 -33.7562 -33.7562 -33.5994 -33.5994 -3.6174 -3.6174 -3.5349 -3.5349 3.7896 3.7896 4.4434 4.4434 4.7179 4.7179 5.7968 5.7968 5.9817 5.9817 6.1724 6.1724 9.0492 9.0492 9.3816 9.3816 9.5579 9.5579 10.5169 10.5169 10.7728 10.7728 k = 0.3602 0.5308-0.0000 ( 4851 PWs) bands (ev): -62.5839 -62.5839 -34.6692 -34.6692 -33.7564 -33.7564 -33.5995 -33.5995 -3.6060 -3.6060 -3.5337 -3.5337 3.8386 3.8386 4.4288 4.4288 4.6454 4.6454 5.8166 5.8166 5.9805 5.9805 6.1533 6.1533 9.0484 9.0484 9.4028 9.4028 9.5567 9.5567 10.5071 10.5071 10.7356 10.7356 k = 0.3548 0.5401-0.0000 ( 4851 PWs) bands (ev): -62.5838 -62.5838 -34.6693 -34.6693 -33.7565 -33.7565 -33.5995 -33.5995 -3.5949 -3.5949 -3.5341 -3.5341 3.8856 3.8856 4.4105 4.4105 4.5850 4.5850 5.8381 5.8381 5.9775 5.9775 6.1350 6.1350 9.0472 9.0472 9.4237 9.4237 9.5547 9.5547 10.5057 10.5057 10.7000 10.7000 k = 0.3495 0.5494-0.0000 ( 4855 PWs) bands (ev): -62.5842 -62.5842 -34.6694 -34.6694 -33.7566 -33.7566 -33.5995 -33.5995 -3.5841 -3.5841 -3.5362 -3.5362 3.9285 3.9285 4.3876 4.3876 4.5396 4.5396 5.8600 5.8600 5.9726 5.9726 6.1180 6.1180 9.0453 9.0453 9.4408 9.4408 9.5504 9.5504 10.5113 10.5113 10.6648 10.6648 k = 0.3441 0.5587-0.0000 ( 4855 PWs) bands (ev): -62.5842 -62.5842 -34.6694 -34.6694 -33.7567 -33.7567 -33.5995 -33.5995 -3.5737 -3.5737 -3.5400 -3.5400 3.9640 3.9640 4.3633 4.3633 4.5099 4.5099 5.8808 5.8808 5.9667 5.9667 6.1031 6.1031 9.0454 9.0454 9.4565 9.4565 9.5448 9.5448 10.5242 10.5242 10.6308 10.6308 k = 0.3387 0.5680-0.0000 ( 4869 PWs) bands (ev): -62.5853 -62.5853 -34.6696 -34.6696 -33.7570 -33.7570 -33.5996 -33.5996 -3.5639 -3.5639 -3.5458 -3.5458 3.9875 3.9875 4.3447 4.3447 4.4931 4.4931 5.8966 5.8966 5.9611 5.9611 6.0917 6.0917 9.0433 9.0433 9.4659 9.4659 9.5365 9.5365 10.5410 10.5410 10.5978 10.5978 k = 0.3333 0.5774-0.0000 ( 4869 PWs) bands (ev): -62.5853 -62.5853 -34.6696 -34.6696 -33.7570 -33.7570 -33.5996 -33.5996 -3.5566 -3.5566 -3.5517 -3.5517 3.9955 3.9955 4.3383 4.3383 4.4876 4.4876 5.9028 5.9028 5.9595 5.9595 6.0871 6.0871 9.0429 9.0429 9.4706 9.4706 9.5339 9.5339 10.5625 10.5625 10.5723 10.5723 k = 0.3333 0.5774-0.0000 ( 4869 PWs) bands (ev): -62.5853 -62.5853 -34.6696 -34.6696 -33.7570 -33.7570 -33.5996 -33.5996 -3.5566 -3.5566 -3.5517 -3.5517 3.9955 3.9955 4.3383 4.3383 4.4876 4.4876 5.9028 5.9028 5.9595 5.9595 6.0871 6.0871 9.0429 9.0429 9.4706 9.4706 9.5339 9.5339 10.5625 10.5625 10.5723 10.5723 k = 0.3280 0.5680-0.0000 ( 4869 PWs) bands (ev): -62.5853 -62.5853 -34.6696 -34.6696 -33.7570 -33.7570 -33.5996 -33.5996 -3.5647 -3.5647 -3.5451 -3.5451 3.9886 3.9886 4.3430 4.3430 4.4938 4.4938 5.8975 5.8975 5.9590 5.9590 6.0930 6.0930 9.0433 9.0433 9.4656 9.4656 9.5369 9.5369 10.5392 10.5392 10.5996 10.5996 k = 0.3226 0.5587-0.0000 ( 4861 PWs) bands (ev): -62.5846 -62.5846 -34.6695 -34.6695 -33.7568 -33.7568 -33.5996 -33.5996 -3.5771 -3.5771 -3.5371 -3.5371 3.9715 3.9715 4.3519 4.3519 4.5140 4.5140 5.8848 5.8848 5.9542 5.9542 6.1112 6.1112 9.0454 9.0454 9.4528 9.4528 9.5469 9.5469 10.5146 10.5146 10.6378 10.6378 k = 0.3172 0.5494-0.0000 ( 4853 PWs) bands (ev): -62.5840 -62.5840 -34.6693 -34.6693 -33.7566 -33.7566 -33.5995 -33.5995 -3.5920 -3.5920 -3.5298 -3.5298 3.9501 3.9501 4.3588 4.3588 4.5490 4.5490 5.8671 5.8671 5.9444 5.9444 6.1394 6.1394 9.0479 9.0479 9.4344 9.4344 9.5586 9.5586 10.4931 10.4931 10.6812 10.6812 k = 0.3118 0.5401-0.0000 ( 4837 PWs) bands (ev): -62.5827 -62.5827 -34.6691 -34.6691 -33.7563 -33.7563 -33.5993 -33.5993 -3.6094 -3.6094 -3.5233 -3.5233 3.9285 3.9285 4.3623 4.3623 4.5959 4.5959 5.8452 5.8452 5.9326 5.9326 6.1743 6.1743 9.0519 9.0519 9.4151 9.4151 9.5714 9.5714 10.4745 10.4745 10.7309 10.7309 k = 0.3065 0.5308-0.0000 ( 4841 PWs) bands (ev): -62.5830 -62.5830 -34.6690 -34.6690 -33.7562 -33.7562 -33.5994 -33.5994 -3.6293 -3.6293 -3.5176 -3.5176 3.9092 3.9092 4.3631 4.3631 4.6508 4.6508 5.8179 5.8179 5.9209 5.9209 6.2135 6.2135 9.0536 9.0536 9.3903 9.3903 9.5813 9.5813 10.4562 10.4562 10.7804 10.7804 k = 0.3011 0.5215-0.0000 ( 4847 PWs) bands (ev): -62.5835 -62.5835 -34.6690 -34.6690 -33.7561 -33.7561 -33.5994 -33.5994 -3.6519 -3.6519 -3.5129 -3.5129 3.8939 3.8939 4.3628 4.3628 4.7110 4.7110 5.7854 5.7854 5.9112 5.9112 6.2559 6.2559 9.0565 9.0565 9.3627 9.3627 9.5907 9.5907 10.4413 10.4413 10.8321 10.8321 k = 0.2957 0.5122-0.0000 ( 4847 PWs) bands (ev): -62.5835 -62.5835 -34.6689 -34.6689 -33.7559 -33.7559 -33.5995 -33.5995 -3.6769 -3.6769 -3.5092 -3.5092 3.8837 3.8837 4.3628 4.3628 4.7747 4.7747 5.7482 5.7482 5.9048 5.9048 6.3011 6.3011 9.0574 9.0574 9.3369 9.3369 9.6011 9.6011 10.4286 10.4286 10.8887 10.8887 k = 0.2903 0.5029-0.0000 ( 4843 PWs) bands (ev): -62.5832 -62.5832 -34.6687 -34.6687 -33.7557 -33.7557 -33.5994 -33.5994 -3.7046 -3.7046 -3.5064 -3.5064 3.8791 3.8791 4.3634 4.3634 4.8407 4.8407 5.7065 5.7065 5.9015 5.9015 6.3485 6.3485 9.0587 9.0587 9.3133 9.3133 9.6116 9.6116 10.4189 10.4189 10.9475 10.9475 k = 0.2849 0.4935-0.0000 ( 4843 PWs) bands (ev): -62.5833 -62.5833 -34.6686 -34.6686 -33.7555 -33.7555 -33.5993 -33.5993 -3.7347 -3.7347 -3.5048 -3.5048 3.8805 3.8805 4.3648 4.3648 4.9080 4.9080 5.6608 5.6608 5.9013 5.9013 6.3977 6.3977 9.0555 9.0555 9.2933 9.2933 9.6214 9.6214 10.4108 10.4108 11.0068 11.0068 k = 0.2796 0.4842-0.0000 ( 4839 PWs) bands (ev): -62.5829 -62.5829 -34.6684 -34.6684 -33.7552 -33.7552 -33.5992 -33.5992 -3.7673 -3.7673 -3.5042 -3.5042 3.8881 3.8881 4.3675 4.3675 4.9760 4.9760 5.6116 5.6116 5.9045 5.9045 6.4487 6.4487 9.0476 9.0476 9.2792 9.2792 9.6320 9.6320 10.4055 10.4055 11.0680 11.0680 k = 0.2742 0.4749-0.0000 ( 4823 PWs) bands (ev): -62.5817 -62.5817 -34.6680 -34.6680 -33.7546 -33.7546 -33.5990 -33.5990 -3.8023 -3.8023 -3.5048 -3.5048 3.9021 3.9021 4.3718 4.3718 5.0440 5.0440 5.5599 5.5599 5.9114 5.9114 6.5015 6.5015 9.0340 9.0340 9.2760 9.2760 9.6440 9.6440 10.4028 10.4028 11.1320 11.1320 k = 0.2688 0.4656-0.0000 ( 4831 PWs) bands (ev): -62.5823 -62.5823 -34.6679 -34.6679 -33.7544 -33.7544 -33.5991 -33.5991 -3.8396 -3.8396 -3.5065 -3.5065 3.9221 3.9221 4.3775 4.3775 5.1101 5.1101 5.5062 5.5062 5.9208 5.9208 6.5555 6.5555 9.0131 9.0131 9.2724 9.2724 9.6532 9.6532 10.3986 10.3986 11.1920 11.1920 k = 0.2634 0.4563-0.0000 ( 4831 PWs) bands (ev): -62.5823 -62.5823 -34.6677 -34.6677 -33.7540 -33.7540 -33.5991 -33.5991 -3.8792 -3.8792 -3.5094 -3.5094 3.9486 3.9486 4.3849 4.3849 5.1726 5.1726 5.4534 5.4534 5.9336 5.9336 6.6111 6.6111 8.9876 8.9876 9.2774 9.2774 9.6632 9.6632 10.3976 10.3976 11.2526 11.2526 k = 0.2581 0.4470-0.0000 ( 4833 PWs) bands (ev): -62.5825 -62.5825 -34.6674 -34.6674 -33.7536 -33.7536 -33.5991 -33.5991 -3.9208 -3.9208 -3.5134 -3.5134 3.9813 3.9813 4.3942 4.3942 5.2236 5.2236 5.4093 5.4093 5.9495 5.9495 6.6682 6.6682 8.9577 8.9577 9.2863 9.2863 9.6730 9.6730 10.3987 10.3987 11.3114 11.3114 k = 0.2527 0.4377-0.0000 ( 4833 PWs) bands (ev): -62.5825 -62.5825 -34.6672 -34.6672 -33.7532 -33.7532 -33.5991 -33.5991 -3.9643 -3.9643 -3.5186 -3.5186 4.0202 4.0202 4.4054 4.4054 5.2383 5.2383 5.3985 5.3985 5.9688 5.9688 6.7263 6.7263 8.9263 8.9263 9.2989 9.2989 9.6830 9.6830 10.4009 10.4009 11.3698 11.3698 k = 0.2473 0.4284-0.0000 ( 4833 PWs) bands (ev): -62.5826 -62.5826 -34.6669 -34.6669 -33.7527 -33.7527 -33.5991 -33.5991 -4.0097 -4.0097 -3.5250 -3.5250 4.0652 4.0652 4.4185 4.4185 5.2035 5.2035 5.4345 5.4345 5.9914 5.9914 6.7856 6.7856 8.8938 8.8938 9.3143 9.3143 9.6923 9.6923 10.4052 10.4052 11.4260 11.4260 k = 0.2419 0.4190-0.0000 ( 4821 PWs) bands (ev): -62.5817 -62.5817 -34.6664 -34.6664 -33.7520 -33.7520 -33.5989 -33.5989 -4.0568 -4.0568 -3.5325 -3.5325 4.1162 4.1162 4.4338 4.4338 5.1467 5.1467 5.4902 5.4902 6.0178 6.0178 6.8466 6.8466 8.8626 8.8626 9.3330 9.3330 9.7036 9.7036 10.4117 10.4117 11.4819 11.4819 k = 0.2366 0.4097-0.0000 ( 4825 PWs) bands (ev): -62.5820 -62.5820 -34.6662 -34.6662 -33.7516 -33.7516 -33.5989 -33.5989 -4.1053 -4.1053 -3.5411 -3.5411 4.1728 4.1728 4.4508 4.4508 5.0822 5.0822 5.5505 5.5505 6.0467 6.0467 6.9080 6.9080 8.8298 8.8298 9.3486 9.3486 9.7120 9.7120 10.4192 10.4192 11.5326 11.5326 k = 0.2312 0.4004-0.0000 ( 4831 PWs) bands (ev): -62.5825 -62.5825 -34.6659 -34.6659 -33.7511 -33.7511 -33.5990 -33.5990 -4.1552 -4.1552 -3.5508 -3.5508 4.2348 4.2348 4.4695 4.4695 5.0147 5.0147 5.6113 5.6113 6.0787 6.0787 6.9706 6.9706 8.7976 8.7976 9.3638 9.3638 9.7203 9.7203 10.4282 10.4282 11.5796 11.5796 k = 0.2258 0.3911-0.0000 ( 4827 PWs) bands (ev): -62.5823 -62.5823 -34.6655 -34.6655 -33.7505 -33.7505 -33.5988 -33.5988 -4.2062 -4.2062 -3.5615 -3.5615 4.3021 4.3021 4.4897 4.4897 4.9461 4.9461 5.6716 5.6716 6.1149 6.1149 7.0344 7.0344 8.7673 8.7673 9.3785 9.3785 9.7299 9.7299 10.4407 10.4407 11.6260 11.6260 k = 0.2204 0.3818-0.0000 ( 4823 PWs) bands (ev): -62.5820 -62.5820 -34.6651 -34.6651 -33.7498 -33.7498 -33.5988 -33.5988 -4.2583 -4.2583 -3.5732 -3.5732 4.3743 4.3743 4.5111 4.5111 4.8779 4.8779 5.7303 5.7303 6.1539 6.1539 7.0997 7.0997 8.7379 8.7379 9.3923 9.3923 9.7395 9.7395 10.4553 10.4553 11.6680 11.6680 k = 0.2151 0.3725-0.0000 ( 4827 PWs) bands (ev): -62.5824 -62.5824 -34.6647 -34.6647 -33.7493 -33.7493 -33.5988 -33.5988 -4.3111 -4.3111 -3.5859 -3.5859 4.4506 4.4506 4.5316 4.5316 4.8124 4.8124 5.7869 5.7869 6.1955 6.1955 7.1652 7.1652 8.7096 8.7096 9.4046 9.4046 9.7466 9.7466 10.4724 10.4724 11.7035 11.7035 k = 0.2097 0.3632-0.0000 ( 4825 PWs) bands (ev): -62.5823 -62.5823 -34.6643 -34.6643 -33.7485 -33.7485 -33.5987 -33.5987 -4.3647 -4.3647 -3.5995 -3.5995 4.5283 4.5283 4.5487 4.5487 4.7557 4.7557 5.8413 5.8413 6.2403 6.2403 7.2322 7.2322 8.6830 8.6830 9.4166 9.4166 9.7546 9.7546 10.4923 10.4923 11.7354 11.7354 k = 0.2043 0.3539-0.0000 ( 4821 PWs) bands (ev): -62.5821 -62.5821 -34.6638 -34.6638 -33.7478 -33.7478 -33.5987 -33.5987 -4.4187 -4.4187 -3.6140 -3.6140 4.5444 4.5444 4.6076 4.6076 4.7253 4.7253 5.8932 5.8932 6.2882 6.2882 7.2998 7.2998 8.6607 8.6607 9.4268 9.4268 9.7612 9.7612 10.5155 10.5155 11.7622 11.7622 k = 0.1989 0.3445-0.0000 ( 4821 PWs) bands (ev): -62.5821 -62.5821 -34.6634 -34.6634 -33.7471 -33.7471 -33.5987 -33.5987 -4.4731 -4.4731 -3.6292 -3.6292 4.5118 4.5118 4.6624 4.6624 4.7539 4.7539 5.9423 5.9423 6.3386 6.3386 7.3684 7.3684 8.6374 8.6374 9.4368 9.4368 9.7671 9.7671 10.5405 10.5405 11.7831 11.7831 k = 0.1935 0.3352-0.0000 ( 4817 PWs) bands (ev): -62.5819 -62.5819 -34.6629 -34.6629 -33.7463 -33.7463 -33.5986 -33.5986 -4.5277 -4.5277 -3.6452 -3.6452 4.4560 4.4560 4.6966 4.6966 4.8332 4.8332 5.9886 5.9886 6.3915 6.3915 7.4382 7.4382 8.6177 8.6177 9.4426 9.4426 9.7727 9.7727 10.5712 10.5712 11.7987 11.7987 k = 0.1882 0.3259-0.0000 ( 4825 PWs) bands (ev): -62.5826 -62.5826 -34.6625 -34.6625 -33.7456 -33.7456 -33.5987 -33.5987 -4.5824 -4.5824 -3.6618 -3.6618 4.3909 4.3909 4.7300 4.7300 4.9281 4.9281 6.0314 6.0314 6.4470 6.4470 7.5083 7.5083 8.5984 8.5984 9.4447 9.4447 9.7765 9.7765 10.6018 10.6018 11.8080 11.8080 k = 0.1828 0.3166-0.0000 ( 4825 PWs) bands (ev): -62.5827 -62.5827 -34.6620 -34.6620 -33.7449 -33.7449 -33.5986 -33.5986 -4.6369 -4.6369 -3.6790 -3.6790 4.3226 4.3226 4.7663 4.7663 5.0297 5.0297 6.0713 6.0713 6.5055 6.5055 7.5795 7.5795 8.5814 8.5814 9.4460 9.4460 9.7805 9.7805 10.6367 10.6367 11.8132 11.8132 k = 0.1774 0.3073-0.0000 ( 4829 PWs) bands (ev): -62.5831 -62.5831 -34.6616 -34.6616 -33.7441 -33.7441 -33.5986 -33.5986 -4.6912 -4.6912 -3.6967 -3.6967 4.2532 4.2532 4.8050 4.8050 5.1355 5.1355 6.1083 6.1083 6.5656 6.5656 7.6513 7.6513 8.5663 8.5663 9.4464 9.4464 9.7829 9.7829 10.6739 10.6739 11.8115 11.8115 k = 0.1720 0.2980-0.0000 ( 4827 PWs) bands (ev): -62.5830 -62.5830 -34.6611 -34.6611 -33.7433 -33.7433 -33.5986 -33.5986 -4.7450 -4.7450 -3.7148 -3.7148 4.1838 4.1838 4.8460 4.8460 5.2450 5.2450 6.1428 6.1428 6.6281 6.6281 7.7240 7.7240 8.5534 8.5534 9.4461 9.4461 9.7848 9.7848 10.7155 10.7155 11.8053 11.8053 k = 0.1667 0.2887-0.0000 ( 4823 PWs) bands (ev): -62.5827 -62.5827 -34.6605 -34.6605 -33.7424 -33.7424 -33.5986 -33.5986 -4.7984 -4.7984 -3.7332 -3.7332 4.1148 4.1148 4.8889 4.8889 5.3569 5.3569 6.1752 6.1752 6.6925 6.6925 7.7974 7.7974 8.5426 8.5426 9.4463 9.4463 9.7860 9.7860 10.7585 10.7585 11.7940 11.7940 k = 0.1613 0.2794-0.0000 ( 4829 PWs) bands (ev): -62.5833 -62.5833 -34.6601 -34.6601 -33.7417 -33.7417 -33.5986 -33.5986 -4.8512 -4.8512 -3.7520 -3.7520 4.0467 4.0467 4.9330 4.9330 5.4705 5.4705 6.2047 6.2047 6.7588 6.7588 7.8707 7.8707 8.5328 8.5328 9.4421 9.4421 9.7852 9.7852 10.8027 10.8027 11.7774 11.7774 k = 0.1559 0.2701-0.0000 ( 4817 PWs) bands (ev): -62.5824 -62.5824 -34.6594 -34.6594 -33.7407 -33.7407 -33.5984 -33.5984 -4.9031 -4.9031 -3.7709 -3.7709 3.9798 3.9798 4.9794 4.9794 5.5854 5.5854 6.2336 6.2336 6.8279 6.8279 7.9455 7.9455 8.5266 8.5266 9.4392 9.4392 9.7856 9.7856 10.8507 10.8507 11.7595 11.7595 k = 0.1505 0.2607-0.0000 ( 4809 PWs) bands (ev): -62.5818 -62.5818 -34.6588 -34.6588 -33.7397 -33.7397 -33.5983 -33.5983 -4.9542 -4.9542 -3.7900 -3.7900 3.9141 3.9141 5.0271 5.0271 5.6999 5.6999 6.2618 6.2618 6.8975 6.8975 8.0205 8.0205 8.5238 8.5238 9.4328 9.4328 9.7848 9.7848 10.9002 10.9002 11.7368 11.7368 k = 0.1452 0.2514-0.0000 ( 4801 PWs) bands (ev): -62.5813 -62.5813 -34.6582 -34.6582 -33.7387 -33.7387 -33.5982 -33.5982 -5.0044 -5.0044 -3.8091 -3.8091 3.8498 3.8498 5.0762 5.0762 5.8118 5.8118 6.2921 6.2921 6.9686 6.9686 8.0957 8.0957 8.5203 8.5203 9.4264 9.4264 9.7835 9.7835 10.9513 10.9513 11.7113 11.7113 k = 0.1398 0.2421-0.0000 ( 4801 PWs) bands (ev): -62.5814 -62.5814 -34.6577 -34.6577 -33.7379 -33.7379 -33.5982 -33.5982 -5.0535 -5.0535 -3.8282 -3.8282 3.7870 3.7870 5.1259 5.1259 5.9170 5.9170 6.3273 6.3273 7.0403 7.0403 8.1703 8.1703 8.5184 8.5184 9.4174 9.4174 9.7804 9.7804 11.0026 11.0026 11.6822 11.6822 k = 0.1344 0.2328-0.0000 ( 4795 PWs) bands (ev): -62.5810 -62.5810 -34.6571 -34.6571 -33.7369 -33.7369 -33.5981 -33.5981 -5.1014 -5.1014 -3.8472 -3.8472 3.7258 3.7258 5.1765 5.1765 6.0102 6.0102 6.3748 6.3748 7.1131 7.1131 8.2442 8.2442 8.5179 8.5179 9.4101 9.4101 9.7765 9.7765 11.0562 11.0562 11.6515 11.6515 k = 0.1290 0.2235-0.0000 ( 4799 PWs) bands (ev): -62.5814 -62.5814 -34.6567 -34.6567 -33.7362 -33.7362 -33.5982 -33.5982 -5.1481 -5.1481 -3.8660 -3.8660 3.6664 3.6664 5.2275 5.2275 6.0833 6.0833 6.4401 6.4401 7.1853 7.1853 8.3170 8.3170 8.5181 8.5181 9.4013 9.4013 9.7714 9.7714 11.1087 11.1087 11.6183 11.6183 k = 0.1237 0.2142-0.0000 ( 4803 PWs) bands (ev): -62.5817 -62.5817 -34.6562 -34.6562 -33.7354 -33.7354 -33.5983 -33.5983 -5.1934 -5.1934 -3.8846 -3.8846 3.6088 3.6088 5.2792 5.2792 6.1341 6.1341 6.5265 6.5265 7.2580 7.2580 8.3878 8.3878 8.5201 8.5201 9.3918 9.3918 9.7661 9.7661 11.1613 11.1613 11.5852 11.5852 k = 0.1183 0.2049-0.0000 ( 4807 PWs) bands (ev): -62.5821 -62.5821 -34.6558 -34.6558 -33.7346 -33.7346 -33.5983 -33.5983 -5.2373 -5.2373 -3.9029 -3.9029 3.5532 3.5532 5.3313 5.3313 6.1663 6.1663 6.6301 6.6301 7.3302 7.3302 8.4534 8.4534 8.5266 8.5266 9.3833 9.3833 9.7603 9.7603 11.2137 11.2137 11.5522 11.5522 k = 0.1129 0.1956-0.0000 ( 4815 PWs) bands (ev): -62.5828 -62.5828 -34.6554 -34.6554 -33.7339 -33.7339 -33.5984 -33.5984 -5.2798 -5.2798 -3.9209 -3.9209 3.4996 3.4996 5.3833 5.3833 6.1857 6.1857 6.7446 6.7446 7.4022 7.4022 8.4974 8.4974 8.5523 8.5523 9.3751 9.3751 9.7537 9.7537 11.2648 11.2648 11.5204 11.5204 k = 0.1075 0.1862-0.0000 ( 4817 PWs) bands (ev): -62.5830 -62.5830 -34.6549 -34.6549 -33.7332 -33.7332 -33.5984 -33.5984 -5.3207 -5.3207 -3.9384 -3.9384 3.4481 3.4481 5.4356 5.4356 6.1975 6.1975 6.8651 6.8651 7.4743 7.4743 8.5112 8.5112 8.6072 8.6072 9.3680 9.3680 9.7477 9.7477 11.3148 11.3148 11.4925 11.4925 k = 0.1022 0.1769-0.0000 ( 4823 PWs) bands (ev): -62.5835 -62.5835 -34.6545 -34.6545 -33.7325 -33.7325 -33.5984 -33.5984 -5.3599 -5.3599 -3.9554 -3.9554 3.3988 3.3988 5.4877 5.4877 6.2038 6.2038 6.9885 6.9885 7.5448 7.5448 8.5172 8.5172 8.6669 8.6669 9.3616 9.3616 9.7416 9.7416 11.3606 11.3606 11.4692 11.4692 k = 0.0968 0.1676-0.0000 ( 4827 PWs) bands (ev): -62.5839 -62.5839 -34.6541 -34.6541 -33.7319 -33.7319 -33.5984 -33.5984 -5.3975 -5.3975 -3.9719 -3.9719 3.3517 3.3517 5.5395 5.5395 6.2069 6.2069 7.1127 7.1127 7.6147 7.6147 8.5222 8.5222 8.7239 8.7239 9.3567 9.3567 9.7359 9.7359 11.3955 11.3955 11.4598 11.4598 k = 0.0914 0.1583-0.0000 ( 4831 PWs) bands (ev): -62.5842 -62.5842 -34.6537 -34.6537 -33.7311 -33.7311 -33.5986 -33.5986 -5.4334 -5.4334 -3.9878 -3.9878 3.3067 3.3067 5.5908 5.5908 6.2080 6.2080 7.2370 7.2370 7.6822 7.6822 8.5253 8.5253 8.7763 8.7763 9.3552 9.3552 9.7308 9.7308 11.4021 11.4021 11.4818 11.4818 k = 0.0860 0.1490-0.0000 ( 4827 PWs) bands (ev): -62.5840 -62.5840 -34.6533 -34.6533 -33.7304 -33.7304 -33.5985 -33.5985 -5.4674 -5.4674 -4.0031 -4.0031 3.2642 3.2642 5.6417 5.6417 6.2074 6.2074 7.3591 7.3591 7.7505 7.7505 8.5304 8.5304 8.8230 8.8230 9.3550 9.3550 9.7270 9.7270 11.3970 11.3970 11.5209 11.5209 k = 0.0806 0.1397-0.0000 ( 4823 PWs) bands (ev): -62.5837 -62.5837 -34.6529 -34.6529 -33.7297 -33.7297 -33.5984 -33.5984 -5.4996 -5.4996 -4.0177 -4.0177 3.2241 3.2241 5.6912 5.6912 6.2060 6.2060 7.4786 7.4786 7.8167 7.8167 8.5359 8.5359 8.8629 8.8629 9.3582 9.3582 9.7235 9.7235 11.3934 11.3934 11.5624 11.5624 k = 0.0753 0.1304-0.0000 ( 4823 PWs) bands (ev): -62.5837 -62.5837 -34.6525 -34.6525 -33.7291 -33.7291 -33.5984 -33.5984 -5.5300 -5.5300 -4.0315 -4.0315 3.1863 3.1863 5.7399 5.7399 6.2029 6.2029 7.5934 7.5934 7.8805 7.8805 8.5412 8.5412 8.8956 8.8956 9.3632 9.3632 9.7209 9.7209 11.3956 11.3956 11.6014 11.6015 k = 0.0699 0.1211-0.0000 ( 4827 PWs) bands (ev): -62.5841 -62.5841 -34.6522 -34.6522 -33.7286 -33.7286 -33.5984 -33.5984 -5.5584 -5.5584 -4.0446 -4.0446 3.1511 3.1511 5.7868 5.7868 6.1987 6.1987 7.7028 7.7028 7.9413 7.9413 8.5477 8.5477 8.9205 8.9205 9.3707 9.3707 9.7186 9.7186 11.4039 11.4039 11.6379 11.6379 k = 0.0645 0.1117-0.0000 ( 4827 PWs) bands (ev): -62.5842 -62.5842 -34.6518 -34.6518 -33.7280 -33.7280 -33.5984 -33.5984 -5.5849 -5.5849 -4.0568 -4.0568 3.1183 3.1183 5.8321 5.8321 6.1947 6.1947 7.8064 7.8064 7.9998 7.9998 8.5541 8.5541 8.9382 8.9382 9.3824 9.3824 9.7172 9.7172 11.4198 11.4198 11.6723 11.6723 k = 0.0591 0.1024-0.0000 ( 4821 PWs) bands (ev): -62.5837 -62.5837 -34.6515 -34.6515 -33.7274 -33.7274 -33.5983 -33.5983 -5.6093 -5.6093 -4.0682 -4.0682 3.0880 3.0880 5.8754 5.8754 6.1915 6.1915 7.9028 7.9028 8.0570 8.0570 8.5621 8.5621 8.9492 8.9492 9.3968 9.3968 9.7162 9.7162 11.4429 11.4429 11.7049 11.7049 k = 0.0538 0.0931-0.0000 ( 4819 PWs) bands (ev): -62.5836 -62.5836 -34.6512 -34.6512 -33.7269 -33.7269 -33.5982 -33.5982 -5.6318 -5.6318 -4.0787 -4.0787 3.0602 3.0602 5.9156 5.9156 6.1880 6.1880 7.9912 7.9912 8.1113 8.1113 8.5690 8.5690 8.9542 8.9542 9.4139 9.4139 9.7155 9.7155 11.4715 11.4715 11.7344 11.7344 k = 0.0484 0.0838-0.0000 ( 4815 PWs) bands (ev): -62.5834 -62.5834 -34.6509 -34.6509 -33.7265 -33.7265 -33.5981 -33.5981 -5.6522 -5.6522 -4.0883 -4.0883 3.0351 3.0351 5.9528 5.9528 6.1850 6.1850 8.0709 8.0709 8.1621 8.1621 8.5776 8.5776 8.9543 8.9543 9.4322 9.4322 9.7156 9.7156 11.5050 11.5050 11.7616 11.7616 k = 0.0430 0.0745-0.0000 ( 4813 PWs) bands (ev): -62.5832 -62.5832 -34.6506 -34.6506 -33.7260 -33.7260 -33.5981 -33.5981 -5.6705 -5.6705 -4.0970 -4.0970 3.0125 3.0125 5.9862 5.9862 6.1836 6.1836 8.1411 8.1411 8.2075 8.2075 8.5866 8.5866 8.9506 8.9506 9.4515 9.4515 9.7166 9.7166 11.5406 11.5406 11.7874 11.7874 k = 0.0376 0.0652-0.0000 ( 4813 PWs) bands (ev): -62.5833 -62.5833 -34.6504 -34.6504 -33.7257 -33.7257 -33.5981 -33.5981 -5.6867 -5.6867 -4.1047 -4.1047 2.9925 2.9925 6.0156 6.0156 6.1825 6.1825 8.2011 8.2011 8.2488 8.2488 8.5963 8.5963 8.9440 8.9440 9.4697 9.4697 9.7194 9.7194 11.5775 11.5775 11.8109 11.8109 k = 0.0323 0.0559-0.0000 ( 4807 PWs) bands (ev): -62.5828 -62.5828 -34.6501 -34.6501 -33.7253 -33.7253 -33.5980 -33.5980 -5.7007 -5.7007 -4.1114 -4.1114 2.9751 2.9751 6.0412 6.0412 6.1833 6.1833 8.2521 8.2521 8.2854 8.2854 8.6079 8.6079 8.9355 8.9355 9.4861 9.4861 9.7243 9.7243 11.6139 11.6139 11.8339 11.8339 k = 0.0269 0.0466-0.0000 ( 4803 PWs) bands (ev): -62.5826 -62.5826 -34.6499 -34.6499 -33.7249 -33.7249 -33.5980 -33.5980 -5.7127 -5.7127 -4.1171 -4.1171 2.9604 2.9604 6.0617 6.0617 6.1854 6.1854 8.2944 8.2944 8.3161 8.3161 8.6194 8.6194 8.9259 8.9259 9.4995 9.4995 9.7312 9.7312 11.6466 11.6466 11.8558 11.8558 k = 0.0215 0.0372-0.0000 ( 4803 PWs) bands (ev): -62.5826 -62.5826 -34.6498 -34.6498 -33.7247 -33.7247 -33.5980 -33.5980 -5.7225 -5.7225 -4.1218 -4.1218 2.9484 2.9484 6.0768 6.0768 6.1884 6.1884 8.3283 8.3283 8.3406 8.3406 8.6299 8.6299 8.9161 8.9161 9.5094 9.5094 9.7397 9.7397 11.6735 11.6735 11.8764 11.8764 k = 0.0161 0.0279-0.0000 ( 4781 PWs) bands (ev): -62.5808 -62.5808 -34.6494 -34.6494 -33.7241 -33.7241 -33.5978 -33.5978 -5.7301 -5.7301 -4.1255 -4.1255 2.9390 2.9390 6.0888 6.0888 6.1947 6.1947 8.3572 8.3572 8.3627 8.3627 8.6412 8.6412 8.9073 8.9073 9.5163 9.5163 9.7487 9.7487 11.6963 11.6963 11.8978 11.8978 k = 0.0108 0.0186-0.0000 ( 4775 PWs) bands (ev): -62.5804 -62.5804 -34.6493 -34.6493 -33.7240 -33.7240 -33.5976 -33.5976 -5.7355 -5.7355 -4.1281 -4.1281 2.9324 2.9324 6.0955 6.0955 6.1991 6.1991 8.3733 8.3733 8.3796 8.3796 8.6501 8.6501 8.9000 8.9000 9.5204 9.5204 9.7565 9.7565 11.7108 11.7108 11.9137 11.9137 k = 0.0054 0.0093-0.0000 ( 4767 PWs) bands (ev): -62.5798 -62.5798 -34.6491 -34.6491 -33.7238 -33.7238 -33.5974 -33.5974 -5.7388 -5.7388 -4.1297 -4.1297 2.9286 2.9286 6.0992 6.0992 6.2022 6.2022 8.3822 8.3822 8.3915 8.3915 8.6577 8.6577 8.8951 8.8951 9.5225 9.5225 9.7619 9.7619 11.7193 11.7193 11.9242 11.9242 k = 0.0000 0.0000 0.0000 ( 4765 PWs) bands (ev): -62.5796 -62.5796 -34.6491 -34.6491 -33.7239 -33.7239 -33.5973 -33.5973 -5.7399 -5.7399 -4.1302 -4.1302 2.9275 2.9275 6.1000 6.1000 6.2030 6.2030 8.3841 8.3841 8.3945 8.3945 8.6626 8.6626 8.8934 8.8934 9.5231 9.5231 9.7638 9.7638 11.7216 11.7216 11.9275 11.9275 k = 0.0000 0.0000 0.0000 ( 4765 PWs) bands (ev): -62.5796 -62.5796 -34.6491 -34.6491 -33.7239 -33.7239 -33.5973 -33.5973 -5.7399 -5.7399 -4.1302 -4.1302 2.9275 2.9275 6.1000 6.1000 6.2030 6.2030 8.3841 8.3841 8.3945 8.3945 8.6626 8.6626 8.8934 8.8934 9.5231 9.5231 9.7638 9.7638 11.7216 11.7216 11.9275 11.9275 k = 0.0000 0.0000 0.0106 ( 4771 PWs) bands (ev): -62.5801 -62.5801 -34.6492 -34.6492 -33.7238 -33.7238 -33.5976 -33.5976 -5.7390 -5.7390 -4.1319 -4.1319 2.9307 2.9307 6.1003 6.1003 6.2032 6.2032 8.3842 8.3842 8.3948 8.3948 8.6399 8.6399 8.9051 8.9051 9.5221 9.5221 9.7630 9.7630 11.7228 11.7228 11.9287 11.9287 k = 0.0000 0.0000 0.0213 ( 4783 PWs) bands (ev): -62.5811 -62.5811 -34.6493 -34.6493 -33.7239 -33.7239 -33.5978 -33.5978 -5.7365 -5.7365 -4.1367 -4.1367 2.9413 2.9413 6.1001 6.1001 6.2030 6.2030 8.3813 8.3813 8.3923 8.3923 8.5926 8.5926 8.9325 8.9325 9.5188 9.5188 9.7607 9.7607 11.7250 11.7250 11.9311 11.9311 k = 0.0000 0.0000 0.0319 ( 4783 PWs) bands (ev): -62.5811 -62.5811 -34.6493 -34.6493 -33.7239 -33.7239 -33.5978 -33.5978 -5.7322 -5.7322 -4.1448 -4.1448 2.9594 2.9594 6.1007 6.1007 6.2035 6.2035 8.3801 8.3801 8.3921 8.3921 8.5300 8.5300 8.9655 8.9655 9.5135 9.5135 9.7569 9.7569 11.7301 11.7301 11.9365 11.9365 k = 0.0000 0.0000 0.0426 ( 4783 PWs) bands (ev): -62.5811 -62.5811 -34.6493 -34.6493 -33.7239 -33.7239 -33.5978 -33.5978 -5.7263 -5.7263 -4.1560 -4.1560 2.9845 2.9845 6.1015 6.1015 6.2043 6.2043 8.3763 8.3763 8.3919 8.3919 8.4581 8.4581 8.9987 8.9987 9.5063 9.5063 9.7516 9.7516 11.7371 11.7371 11.9439 11.9439 k = 0.0000 0.0000 0.0532 ( 4796 PWs) bands (ev): -62.5822 -62.5822 -34.6494 -34.6494 -33.7241 -33.7241 -33.5980 -33.5980 -5.7187 -5.7187 -4.1703 -4.1703 3.0166 3.0166 6.1017 6.1017 6.2043 6.2043 8.3488 8.3488 8.3890 8.3890 8.3977 8.3977 9.0298 9.0298 9.4974 9.4974 9.7450 9.7450 11.7446 11.7446 11.9519 11.9519 k = 0.0000 0.0000 0.0638 ( 4796 PWs) bands (ev): -62.5822 -62.5822 -34.6494 -34.6494 -33.7241 -33.7241 -33.5980 -33.5980 -5.7095 -5.7095 -4.1874 -4.1874 3.0555 3.0555 6.1030 6.1030 6.2054 6.2054 8.2684 8.2684 8.3854 8.3854 8.3887 8.3887 9.0585 9.0585 9.4870 9.4870 9.7373 9.7373 11.7551 11.7551 11.9630 11.9630 k = 0.0000 0.0000 0.0745 ( 4796 PWs) bands (ev): -62.5822 -62.5822 -34.6494 -34.6494 -33.7241 -33.7241 -33.5980 -33.5980 -5.6987 -5.6987 -4.2072 -4.2072 3.1011 3.1011 6.1044 6.1044 6.2067 6.2067 8.1711 8.1711 8.3828 8.3828 8.3883 8.3883 9.0843 9.0843 9.4754 9.4754 9.7284 9.7284 11.7671 11.7671 11.9756 11.9756 k = 0.0000 0.0000 0.0851 ( 4796 PWs) bands (ev): -62.5822 -62.5822 -34.6494 -34.6494 -33.7241 -33.7241 -33.5980 -33.5980 -5.6863 -5.6863 -4.2296 -4.2296 3.1530 3.1530 6.1060 6.1060 6.2082 6.2082 8.0662 8.0662 8.3816 8.3816 8.3879 8.3879 9.1073 9.1073 9.4628 9.4628 9.7185 9.7185 11.7804 11.7804 11.9897 11.9897 k = 0.0000 0.0000 0.0958 ( 4796 PWs) bands (ev): -62.5821 -62.5821 -34.6495 -34.6495 -33.7241 -33.7241 -33.5980 -33.5980 -5.6724 -5.6724 -4.2543 -4.2543 3.2114 3.2114 6.1075 6.1075 6.2095 6.2095 7.9560 7.9560 8.3799 8.3799 8.3866 8.3866 9.1294 9.1294 9.4499 9.4499 9.7079 9.7079 11.7943 11.7943 12.0045 12.0045 k = 0.0000 0.0000 0.1064 ( 4796 PWs) bands (ev): -62.5821 -62.5821 -34.6495 -34.6495 -33.7241 -33.7241 -33.5980 -33.5980 -5.6571 -5.6571 -4.2811 -4.2811 3.2754 3.2754 6.1094 6.1094 6.2112 6.2112 7.8398 7.8398 8.3792 8.3792 8.3861 8.3861 9.1473 9.1473 9.4362 9.4362 9.6967 9.6967 11.8097 11.8097 12.0207 12.0207 k = 0.0000 0.0000 0.1171 ( 4796 PWs) bands (ev): -62.5821 -62.5821 -34.6495 -34.6495 -33.7242 -33.7242 -33.5979 -33.5979 -5.6404 -5.6404 -4.3098 -4.3098 3.3449 3.3449 6.1112 6.1112 6.2127 6.2127 7.7191 7.7191 8.3795 8.3795 8.3866 8.3866 9.1622 9.1622 9.4222 9.4222 9.6850 9.6850 11.8255 11.8255 12.0375 12.0375 k = 0.0000 0.0000 0.1277 ( 4814 PWs) bands (ev): -62.5836 -62.5836 -34.6497 -34.6497 -33.7244 -33.7244 -33.5982 -33.5982 -5.6224 -5.6224 -4.3401 -4.3401 3.4193 3.4193 6.1124 6.1124 6.2136 6.2136 7.5938 7.5938 8.3762 8.3762 8.3833 8.3833 9.1735 9.1735 9.4077 9.4077 9.6730 9.6730 11.8407 11.8407 12.0537 12.0537 k = 0.0000 0.0000 0.1383 ( 4814 PWs) bands (ev): -62.5836 -62.5836 -34.6497 -34.6497 -33.7244 -33.7244 -33.5982 -33.5982 -5.6032 -5.6032 -4.3717 -4.3717 3.4988 3.4988 6.1145 6.1145 6.2155 6.2155 7.4667 7.4667 8.3756 8.3756 8.3827 8.3827 9.1850 9.1850 9.3941 9.3941 9.6609 9.6609 11.8574 11.8574 12.0714 12.0714 k = 0.0000 0.0000 0.1490 ( 4814 PWs) bands (ev): -62.5836 -62.5836 -34.6497 -34.6497 -33.7244 -33.7244 -33.5982 -33.5982 -5.5830 -5.5830 -4.4044 -4.4044 3.5826 3.5826 6.1166 6.1166 6.2174 6.2174 7.3374 7.3374 8.3750 8.3750 8.3822 8.3822 9.1948 9.1948 9.3810 9.3810 9.6488 9.6488 11.8742 11.8742 12.0892 12.0892 k = 0.0000 0.0000 0.1596 ( 4826 PWs) bands (ev): -62.5846 -62.5846 -34.6498 -34.6498 -33.7244 -33.7244 -33.5985 -33.5985 -5.5618 -5.5618 -4.4378 -4.4378 3.6700 3.6700 6.1184 6.1184 6.2190 6.2190 7.2058 7.2058 8.3729 8.3729 8.3800 8.3800 9.2009 9.2009 9.3676 9.3676 9.6370 9.6370 11.8902 11.8902 12.1062 12.1062 k = 0.0000 0.0000 0.1703 ( 4820 PWs) bands (ev): -62.5841 -62.5841 -34.6497 -34.6497 -33.7245 -33.7245 -33.5983 -33.5983 -5.5399 -5.5399 -4.4716 -4.4716 3.7615 3.7615 6.1205 6.1205 6.2208 6.2208 7.0746 7.0746 8.3733 8.3733 8.3805 8.3805 9.2083 9.2083 9.3568 9.3568 9.6255 9.6255 11.9065 11.9065 12.1234 12.1234 k = 0.0000 0.0000 0.1809 ( 4802 PWs) bands (ev): -62.5827 -62.5827 -34.6495 -34.6495 -33.7243 -33.7243 -33.5980 -33.5980 -5.5175 -5.5175 -4.5054 -4.5054 3.8557 3.8557 6.1234 6.1234 6.2235 6.2235 6.9436 6.9436 8.3762 8.3762 8.3834 8.3834 9.2142 9.2142 9.3475 9.3475 9.6145 9.6145 11.9235 11.9235 12.1412 12.1412 k = 0.0000 0.0000 0.1915 ( 4802 PWs) bands (ev): -62.5827 -62.5827 -34.6496 -34.6496 -33.7243 -33.7243 -33.5980 -33.5980 -5.4948 -5.4948 -4.5389 -4.5389 3.9514 3.9514 6.1253 6.1253 6.2253 6.2253 6.8135 6.8135 8.3756 8.3756 8.3828 8.3828 9.2174 9.2174 9.3387 9.3387 9.6041 9.6041 11.9382 11.9382 12.1568 12.1568 k = 0.0000 0.0000 0.2022 ( 4796 PWs) bands (ev): -62.5823 -62.5823 -34.6495 -34.6495 -33.7243 -33.7243 -33.5978 -33.5978 -5.4722 -5.4722 -4.5715 -4.5715 4.0482 4.0482 6.1273 6.1273 6.2272 6.2272 6.6856 6.6856 8.3764 8.3764 8.3835 8.3835 9.2194 9.2194 9.3316 9.3316 9.5945 9.5945 11.9525 11.9525 12.1718 12.1718 k = 0.0000 0.0000 0.2128 ( 4796 PWs) bands (ev): -62.5823 -62.5823 -34.6495 -34.6495 -33.7243 -33.7243 -33.5978 -33.5978 -5.4500 -5.4500 -4.6027 -4.6027 4.1445 4.1445 6.1289 6.1289 6.2287 6.2287 6.5615 6.5615 8.3759 8.3759 8.3830 8.3830 9.2201 9.2201 9.3257 9.3257 9.5857 9.5857 11.9650 11.9650 12.1851 12.1851 k = 0.0000 0.0000 0.2235 ( 4802 PWs) bands (ev): -62.5828 -62.5828 -34.6496 -34.6496 -33.7244 -33.7244 -33.5978 -33.5978 -5.4287 -5.4287 -4.6321 -4.6321 4.2389 4.2389 6.1296 6.1296 6.2292 6.2292 6.4427 6.4427 8.3756 8.3756 8.3827 8.3827 9.2194 9.2194 9.3196 9.3196 9.5779 9.5779 11.9754 11.9754 12.1962 12.1962 k = 0.0000 0.0000 0.2341 ( 4796 PWs) bands (ev): -62.5823 -62.5823 -34.6495 -34.6495 -33.7244 -33.7244 -33.5977 -33.5977 -5.4089 -5.4089 -4.6589 -4.6589 4.3298 4.3298 6.1307 6.1307 6.2304 6.2304 6.3320 6.3320 8.3756 8.3756 8.3827 8.3827 9.2188 9.2188 9.3187 9.3187 9.5712 9.5712 11.9853 11.9853 12.2066 12.2066 k = 0.0000 0.0000 0.2448 ( 4808 PWs) bands (ev): -62.5833 -62.5833 -34.6497 -34.6497 -33.7246 -33.7246 -33.5978 -33.5978 -5.3913 -5.3913 -4.6824 -4.6824 4.4132 4.4132 6.1300 6.1300 6.2302 6.2302 6.2321 6.2321 8.3732 8.3732 8.3803 8.3803 9.2173 9.2173 9.3158 9.3158 9.5655 9.5655 11.9920 11.9920 12.2138 12.2138 k = 0.0000 0.0000 0.2554 ( 4790 PWs) bands (ev): -62.5819 -62.5819 -34.6495 -34.6495 -33.7243 -33.7243 -33.5976 -33.5976 -5.3764 -5.3764 -4.7019 -4.7019 4.4859 4.4859 6.1259 6.1259 6.1525 6.1525 6.2326 6.2326 8.3764 8.3764 8.3834 8.3834 9.2159 9.2159 9.3148 9.3148 9.5611 9.5611 12.0006 12.0006 12.2227 12.2227 k = 0.0000 0.0000 0.2660 ( 4790 PWs) bands (ev): -62.5819 -62.5819 -34.6495 -34.6495 -33.7243 -33.7243 -33.5976 -33.5976 -5.3651 -5.3651 -4.7165 -4.7165 4.5434 4.5434 6.0749 6.0749 6.1369 6.1369 6.2332 6.2332 8.3762 8.3762 8.3832 8.3832 9.2147 9.2147 9.3138 9.3138 9.5579 9.5579 12.0052 12.0052 12.2276 12.2276 k = 0.0000 0.0000 0.2767 ( 4796 PWs) bands (ev): -62.5824 -62.5824 -34.6495 -34.6495 -33.7243 -33.7243 -33.5978 -33.5978 -5.3581 -5.3581 -4.7256 -4.7256 4.5800 4.5800 6.0329 6.0329 6.1362 6.1362 6.2334 6.2334 8.3759 8.3759 8.3829 8.3829 9.2139 9.2139 9.3102 9.3102 9.5560 9.5560 12.0080 12.0080 12.2305 12.2305 k = 0.0000 0.0000 0.2873 ( 4796 PWs) bands (ev): -62.5824 -62.5824 -34.6495 -34.6495 -33.7243 -33.7243 -33.5978 -33.5978 -5.3557 -5.3557 -4.7286 -4.7286 4.5929 4.5929 6.0182 6.0182 6.1362 6.1362 6.2336 6.2336 8.3758 8.3758 8.3829 8.3829 9.2136 9.2136 9.3100 9.3100 9.5553 9.5553 12.0089 12.0089 12.2315 12.2315 k = 0.0000 0.0000 0.2873 ( 4796 PWs) bands (ev): -62.5824 -62.5824 -34.6495 -34.6495 -33.7243 -33.7243 -33.5978 -33.5978 -5.3557 -5.3557 -4.7286 -4.7286 4.5929 4.5929 6.0182 6.0182 6.1362 6.1362 6.2336 6.2336 8.3758 8.3758 8.3829 8.3829 9.2136 9.2136 9.3100 9.3100 9.5553 9.5553 12.0089 12.0089 12.2315 12.2315 k = 0.0093 0.0053 0.2873 ( 4796 PWs) bands (ev): -62.5824 -62.5824 -34.6495 -34.6495 -33.7244 -33.7244 -33.5978 -33.5978 -5.3546 -5.3546 -4.7280 -4.7280 4.5939 4.5939 5.9950 5.9950 6.1495 6.1495 6.2435 6.2435 8.3729 8.3729 8.3788 8.3788 9.1936 9.1936 9.3216 9.3216 9.5644 9.5644 12.0045 12.0045 12.2264 12.2264 k = 0.0185 0.0107 0.2873 ( 4790 PWs) bands (ev): -62.5819 -62.5819 -34.6495 -34.6495 -33.7243 -33.7243 -33.5977 -33.5977 -5.3515 -5.3515 -4.7259 -4.7259 4.5970 4.5970 5.9460 5.9460 6.1681 6.1681 6.2748 6.2748 8.3634 8.3634 8.3680 8.3680 9.1495 9.1495 9.3440 9.3440 9.5894 9.5894 11.9915 11.9915 12.2125 12.2125 k = 0.0278 0.0160 0.2873 ( 4794 PWs) bands (ev): -62.5822 -62.5822 -34.6496 -34.6496 -33.7245 -33.7245 -33.5978 -33.5978 -5.3463 -5.3463 -4.7224 -4.7224 4.6021 4.6021 5.8884 5.8884 6.1782 6.1782 6.3210 6.3210 8.3424 8.3424 8.3527 8.3527 9.0957 9.0957 9.3657 9.3657 9.6243 9.6243 11.9672 11.9672 12.1895 12.1895 k = 0.0370 0.0214 0.2873 ( 4802 PWs) bands (ev): -62.5828 -62.5828 -34.6498 -34.6498 -33.7248 -33.7248 -33.5978 -33.5978 -5.3390 -5.3390 -4.7175 -4.7175 4.6091 4.6091 5.8277 5.8277 6.1831 6.1831 6.3745 6.3745 8.3109 8.3109 8.3320 8.3320 9.0387 9.0387 9.3877 9.3877 9.6641 9.6641 11.9316 11.9316 12.1604 12.1604 k = 0.0463 0.0267 0.2873 ( 4798 PWs) bands (ev): -62.5825 -62.5825 -34.6499 -34.6499 -33.7250 -33.7250 -33.5978 -33.5978 -5.3297 -5.3297 -4.7113 -4.7113 4.6181 4.6181 5.7658 5.7658 6.1878 6.1878 6.4313 6.4313 8.2701 8.2701 8.3086 8.3086 8.9830 8.9830 9.4109 9.4109 9.7060 9.7060 11.8856 11.8856 12.1297 12.1297 k = 0.0556 0.0321 0.2873 ( 4800 PWs) bands (ev): -62.5826 -62.5826 -34.6501 -34.6501 -33.7252 -33.7252 -33.5979 -33.5979 -5.3183 -5.3183 -4.7037 -4.7037 4.6290 4.6290 5.7027 5.7027 6.1922 6.1922 6.4882 6.4882 8.2165 8.2165 8.2809 8.2809 8.9304 8.9304 9.4351 9.4351 9.7472 9.7472 11.8268 11.8268 12.0974 12.0974 k = 0.0648 0.0374 0.2873 ( 4796 PWs) bands (ev): -62.5823 -62.5823 -34.6502 -34.6502 -33.7255 -33.7255 -33.5978 -33.5978 -5.3049 -5.3049 -4.6948 -4.6948 4.6417 4.6417 5.6393 5.6393 6.1970 6.1970 6.5451 6.5451 8.1521 8.1521 8.2508 8.2508 8.8834 8.8834 9.4603 9.4603 9.7863 9.7863 11.7581 11.7581 12.0655 12.0655 k = 0.0741 0.0428 0.2873 ( 4796 PWs) bands (ev): -62.5822 -62.5822 -34.6504 -34.6504 -33.7259 -33.7259 -33.5977 -33.5977 -5.2894 -5.2894 -4.6845 -4.6845 4.6568 4.6568 5.5756 5.5756 6.2010 6.2010 6.6012 6.6012 8.0756 8.0756 8.2164 8.2164 8.8424 8.8424 9.4861 9.4861 9.8241 9.8241 11.6802 11.6802 12.0320 12.0320 k = 0.0833 0.0481 0.2873 ( 4788 PWs) bands (ev): -62.5816 -62.5816 -34.6505 -34.6505 -33.7261 -33.7261 -33.5977 -33.5977 -5.2720 -5.2720 -4.6730 -4.6730 4.6732 4.6732 5.5121 5.5121 6.2070 6.2070 6.6563 6.6563 7.9886 7.9886 8.1813 8.1813 8.8072 8.8072 9.5125 9.5125 9.8595 9.8595 11.5962 11.5962 12.0002 12.0002 k = 0.0926 0.0535 0.2873 ( 4786 PWs) bands (ev): -62.5814 -62.5814 -34.6508 -34.6508 -33.7265 -33.7265 -33.5977 -33.5977 -5.2526 -5.2526 -4.6601 -4.6601 4.6912 4.6912 5.4483 5.4483 6.2128 6.2128 6.7095 6.7095 7.8913 7.8913 8.1440 8.1440 8.7768 8.7768 9.5385 9.5385 9.8912 9.8912 11.5066 11.5066 11.9672 11.9672 k = 0.1019 0.0588 0.2873 ( 4796 PWs) bands (ev): -62.5821 -62.5821 -34.6512 -34.6512 -33.7271 -33.7271 -33.5979 -33.5979 -5.2313 -5.2313 -4.6460 -4.6460 4.7106 4.7106 5.3843 5.3843 6.2177 6.2177 6.7607 6.7607 7.7845 7.7845 8.1047 8.1047 8.7491 8.7491 9.5633 9.5633 9.9189 9.9189 11.4130 11.4130 11.9324 11.9324 k = 0.1111 0.0642 0.2873 ( 4804 PWs) bands (ev): -62.5827 -62.5827 -34.6516 -34.6516 -33.7278 -33.7278 -33.5980 -33.5980 -5.2081 -5.2081 -4.6306 -4.6306 4.7315 4.7315 5.3209 5.3209 6.2222 6.2222 6.8099 6.8099 7.6724 7.6724 8.0639 8.0639 8.7259 8.7259 9.5868 9.5868 9.9436 9.9436 11.3191 11.3191 11.8964 11.8964 k = 0.1204 0.0695 0.2873 ( 4798 PWs) bands (ev): -62.5821 -62.5821 -34.6518 -34.6518 -33.7282 -33.7282 -33.5979 -33.5979 -5.1830 -5.1830 -4.6140 -4.6140 4.7537 4.7537 5.2580 5.2580 6.2288 6.2288 6.8563 6.8563 7.5558 7.5558 8.0253 8.0253 8.7068 8.7068 9.6100 9.6100 9.9654 9.9654 11.2265 11.2265 11.8627 11.8627 k = 0.1296 0.0748 0.2873 ( 4806 PWs) bands (ev): -62.5827 -62.5827 -34.6523 -34.6523 -33.7289 -33.7289 -33.5980 -33.5980 -5.1561 -5.1561 -4.5963 -4.5963 4.7767 4.7767 5.1950 5.1950 6.2343 6.2343 6.8984 6.8984 7.4358 7.4358 7.9854 7.9854 8.6870 8.6870 9.6308 9.6308 9.9834 9.9834 11.1335 11.1335 11.8275 11.8275 k = 0.1389 0.0802 0.2873 ( 4798 PWs) bands (ev): -62.5820 -62.5820 -34.6526 -34.6526 -33.7294 -33.7294 -33.5980 -33.5980 -5.1274 -5.1274 -4.5774 -4.5774 4.8005 4.8005 5.1339 5.1339 6.2399 6.2399 6.9360 6.9360 7.3164 7.3164 7.9468 7.9468 8.6721 8.6721 9.6498 9.6498 9.9980 9.9980 11.0481 11.0481 11.7928 11.7928 k = 0.1481 0.0855 0.2873 ( 4798 PWs) bands (ev): -62.5820 -62.5820 -34.6530 -34.6530 -33.7301 -33.7301 -33.5980 -33.5980 -5.0970 -5.0970 -4.5574 -4.5574 4.8242 4.8242 5.0732 5.0732 6.2455 6.2455 6.9612 6.9612 7.2030 7.2030 7.9093 7.9093 8.6558 8.6558 9.6667 9.6667 10.0077 10.0077 10.9655 10.9655 11.7588 11.7588 k = 0.1574 0.0909 0.2873 ( 4806 PWs) bands (ev): -62.5825 -62.5825 -34.6535 -34.6535 -33.7308 -33.7308 -33.5981 -33.5981 -5.0650 -5.0650 -4.5363 -4.5363 4.8464 4.8464 5.0147 5.0147 6.2495 6.2495 6.9497 6.9497 7.1218 7.1218 7.8714 7.8714 8.6397 8.6397 9.6799 9.6799 10.0118 10.0118 10.8899 10.8899 11.7239 11.7239 k = 0.1667 0.0962 0.2873 ( 4810 PWs) bands (ev): -62.5828 -62.5828 -34.6539 -34.6539 -33.7316 -33.7316 -33.5982 -33.5982 -5.0313 -5.0313 -4.5142 -4.5142 4.8624 4.8624 4.9628 4.9628 6.2537 6.2537 6.8693 6.8693 7.1059 7.1059 7.8357 7.8357 8.6236 8.6236 9.6909 9.6909 10.0109 10.0109 10.8227 10.8227 11.6908 11.6908 k = 0.1759 0.1016 0.2873 ( 4810 PWs) bands (ev): -62.5827 -62.5827 -34.6544 -34.6544 -33.7323 -33.7323 -33.5982 -33.5982 -4.9961 -4.9961 -4.4912 -4.4912 4.8531 4.8531 4.9366 4.9366 6.2573 6.2573 6.7557 6.7557 7.1209 7.1209 7.8018 7.8018 8.6073 8.6073 9.6990 9.6990 10.0052 10.0052 10.7665 10.7665 11.6590 11.6590 k = 0.1852 0.1069 0.2873 ( 4816 PWs) bands (ev): -62.5831 -62.5831 -34.6549 -34.6549 -33.7331 -33.7331 -33.5983 -33.5983 -4.9594 -4.9594 -4.4672 -4.4672 4.8088 4.8088 4.9440 4.9440 6.2603 6.2603 6.6342 6.6342 7.1409 7.1409 7.7701 7.7701 8.5899 8.5899 9.7042 9.7042 9.9905 9.9905 10.7205 10.7205 11.6290 11.6290 k = 0.1944 0.1123 0.2873 ( 4810 PWs) bands (ev): -62.5825 -62.5825 -34.6553 -34.6553 -33.7338 -33.7338 -33.5982 -33.5982 -4.9213 -4.9213 -4.4423 -4.4423 4.7542 4.7542 4.9610 4.9610 6.2621 6.2621 6.5138 6.5138 7.1601 7.1601 7.7409 7.7409 8.5741 8.5741 9.7064 9.7064 9.9711 9.9711 10.6894 10.6894 11.6010 11.6010 k = 0.2037 0.1176 0.2873 ( 4814 PWs) bands (ev): -62.5827 -62.5827 -34.6558 -34.6558 -33.7347 -33.7347 -33.5983 -33.5983 -4.8819 -4.8819 -4.4167 -4.4167 4.6970 4.6970 4.9773 4.9773 6.2605 6.2605 6.3979 6.3979 7.1764 7.1764 7.7132 7.7132 8.5552 8.5552 9.7047 9.7047 9.9464 9.9464 10.6681 10.6681 11.5739 11.5739 k = 0.2130 0.1230 0.2873 ( 4828 PWs) bands (ev): -62.5838 -62.5838 -34.6564 -34.6564 -33.7356 -33.7356 -33.5986 -33.5986 -4.8412 -4.8412 -4.3903 -4.3903 4.6390 4.6390 4.9895 4.9895 6.2423 6.2423 6.3022 6.3022 7.1891 7.1891 7.6880 7.6880 8.5334 8.5334 9.6995 9.6995 9.9163 9.9163 10.6555 10.6555 11.5482 11.5482 k = 0.2222 0.1283 0.2873 ( 4824 PWs) bands (ev): -62.5833 -62.5833 -34.6569 -34.6569 -33.7363 -33.7363 -33.5986 -33.5986 -4.7995 -4.7995 -4.3632 -4.3632 4.5815 4.5815 4.9958 4.9958 6.1628 6.1628 6.2765 6.2765 7.1981 7.1981 7.6667 7.6667 8.5127 8.5127 9.6925 9.6925 9.8864 9.8864 10.6555 10.6555 11.5265 11.5265 k = 0.2315 0.1336 0.2873 ( 4822 PWs) bands (ev): -62.5831 -62.5831 -34.6573 -34.6573 -33.7371 -33.7371 -33.5985 -33.5985 -4.7566 -4.7566 -4.3354 -4.3354 4.5244 4.5244 4.9935 4.9935 6.0713 6.0713 6.2715 6.2715 7.2032 7.2032 7.6474 7.6474 8.4908 8.4908 9.6814 9.6814 9.8569 9.8569 10.6643 10.6643 11.5060 11.5060 k = 0.2407 0.1390 0.2873 ( 4834 PWs) bands (ev): -62.5839 -62.5839 -34.6580 -34.6580 -33.7381 -33.7381 -33.5987 -33.5987 -4.7129 -4.7129 -4.3071 -4.3071 4.4669 4.4669 4.9795 4.9795 5.9897 5.9897 6.2676 6.2676 7.2043 7.2043 7.6302 7.6302 8.4656 8.4656 9.6662 9.6662 9.8256 9.8256 10.6779 10.6779 11.4872 11.4872 k = 0.2500 0.1443 0.2873 ( 4830 PWs) bands (ev): -62.5835 -62.5835 -34.6584 -34.6584 -33.7389 -33.7389 -33.5987 -33.5987 -4.6684 -4.6684 -4.2783 -4.2783 4.4103 4.4103 4.9521 4.9521 5.9238 5.9238 6.2637 6.2637 7.2020 7.2020 7.6167 7.6167 8.4415 8.4415 9.6498 9.6498 9.7994 9.7994 10.7000 10.7000 11.4710 11.4710 k = 0.2593 0.1497 0.2873 ( 4830 PWs) bands (ev): -62.5834 -62.5834 -34.6589 -34.6589 -33.7397 -33.7397 -33.5987 -33.5987 -4.6233 -4.6233 -4.2491 -4.2491 4.3537 4.3537 4.9099 4.9099 5.8742 5.8742 6.2588 6.2588 7.1964 7.1964 7.6057 7.6057 8.4163 8.4163 9.6305 9.6305 9.7747 9.7747 10.7270 10.7270 11.4565 11.4565 k = 0.2685 0.1550 0.2873 ( 4832 PWs) bands (ev): -62.5835 -62.5835 -34.6595 -34.6595 -33.7406 -33.7406 -33.5987 -33.5987 -4.5776 -4.5776 -4.2195 -4.2195 4.2971 4.2971 4.8536 4.8536 5.8409 5.8409 6.2526 6.2526 7.1880 7.1880 7.5968 7.5968 8.3911 8.3911 9.6082 9.6082 9.7521 9.7521 10.7592 10.7592 11.4435 11.4435 k = 0.2778 0.1604 0.2873 ( 4838 PWs) bands (ev): -62.5838 -62.5838 -34.6600 -34.6600 -33.7415 -33.7415 -33.5987 -33.5987 -4.5315 -4.5315 -4.1897 -4.1897 4.2401 4.2401 4.7853 4.7853 5.8215 5.8215 6.2453 6.2453 7.1774 7.1774 7.5907 7.5907 8.3652 8.3652 9.5842 9.5842 9.7311 9.7311 10.7946 10.7946 11.4322 11.4322 k = 0.2870 0.1657 0.2873 ( 4846 PWs) bands (ev): -62.5844 -62.5844 -34.6606 -34.6606 -33.7424 -33.7424 -33.5988 -33.5988 -4.4853 -4.4853 -4.1596 -4.1596 4.1829 4.1829 4.7082 4.7082 5.8133 5.8133 6.2365 6.2365 7.1652 7.1652 7.5866 7.5866 8.3399 8.3399 9.5578 9.5578 9.7120 9.7120 10.8346 10.8346 11.4214 11.4214 k = 0.2963 0.1711 0.2873 ( 4838 PWs) bands (ev): -62.5837 -62.5837 -34.6610 -34.6610 -33.7431 -33.7431 -33.5988 -33.5988 -4.4390 -4.4390 -4.1294 -4.1294 4.1250 4.1250 4.6259 4.6259 5.8133 5.8133 6.2284 6.2284 7.1525 7.1525 7.5868 7.5868 8.3160 8.3160 9.5338 9.5338 9.6963 9.6963 10.8796 10.8796 11.4145 11.4145 k = 0.3056 0.1764 0.2873 ( 4834 PWs) bands (ev): -62.5832 -62.5832 -34.6614 -34.6614 -33.7438 -33.7438 -33.5987 -33.5987 -4.3929 -4.3929 -4.0992 -4.0992 4.0658 4.0658 4.5415 4.5415 5.8184 5.8184 6.2191 6.2191 7.1399 7.1399 7.5886 7.5886 8.2929 8.2929 9.5068 9.5068 9.6817 9.6817 10.9283 10.9283 11.4084 11.4084 k = 0.3148 0.1818 0.2873 ( 4844 PWs) bands (ev): -62.5839 -62.5839 -34.6620 -34.6620 -33.7447 -33.7447 -33.5989 -33.5989 -4.3473 -4.3473 -4.0689 -4.0689 4.0043 4.0043 4.4573 4.4573 5.8257 5.8257 6.2089 6.2089 7.1280 7.1280 7.5924 7.5924 8.2682 8.2682 9.4786 9.4786 9.6658 9.6658 10.9767 10.9767 11.4030 11.4030 k = 0.3241 0.1871 0.2873 ( 4840 PWs) bands (ev): -62.5835 -62.5835 -34.6624 -34.6624 -33.7455 -33.7455 -33.5987 -33.5987 -4.3022 -4.3022 -4.0387 -4.0387 3.9412 3.9412 4.3763 4.3763 5.8342 5.8342 6.1985 6.1985 7.1184 7.1184 7.5984 7.5984 8.2464 8.2464 9.4496 9.4496 9.6531 9.6531 11.0321 11.0321 11.3996 11.3996 k = 0.3333 0.1925 0.2873 ( 4844 PWs) bands (ev): -62.5838 -62.5838 -34.6629 -34.6629 -33.7463 -33.7463 -33.5988 -33.5988 -4.2579 -4.2579 -4.0086 -4.0086 3.8752 3.8752 4.2995 4.2995 5.8418 5.8418 6.1878 6.1878 7.1113 7.1113 7.6062 7.6062 8.2248 8.2248 9.4199 9.4199 9.6397 9.6397 11.0866 11.0866 11.3972 11.3972 k = 0.3426 0.1978 0.2873 ( 4840 PWs) bands (ev): -62.5834 -62.5834 -34.6633 -34.6633 -33.7469 -33.7469 -33.5987 -33.5987 -4.2148 -4.2148 -3.9787 -3.9787 3.8072 3.8072 4.2285 4.2285 5.8476 5.8476 6.1768 6.1768 7.1077 7.1077 7.6156 7.6156 8.2050 8.2050 9.3895 9.3895 9.6307 9.6307 11.1437 11.1437 11.3964 11.3964 k = 0.3519 0.2031 0.2873 ( 4844 PWs) bands (ev): -62.5837 -62.5837 -34.6638 -34.6638 -33.7476 -33.7476 -33.5989 -33.5989 -4.1730 -4.1730 -3.9491 -3.9491 3.7367 3.7367 4.1636 4.1636 5.8508 5.8508 6.1650 6.1650 7.1080 7.1080 7.6265 7.6265 8.1851 8.1851 9.3591 9.3591 9.6197 9.6197 11.2006 11.2006 11.3958 11.3958 k = 0.3611 0.2085 0.2873 ( 4842 PWs) bands (ev): -62.5834 -62.5834 -34.6641 -34.6641 -33.7482 -33.7482 -33.5988 -33.5988 -4.1329 -4.1329 -3.9197 -3.9197 3.6646 3.6646 4.1052 4.1052 5.8513 5.8513 6.1540 6.1540 7.1127 7.1127 7.6389 7.6389 8.1664 8.1664 9.3290 9.3290 9.6087 9.6087 11.2577 11.2577 11.4004 11.4004 k = 0.3704 0.2138 0.2873 ( 4842 PWs) bands (ev): -62.5834 -62.5834 -34.6645 -34.6645 -33.7488 -33.7488 -33.5988 -33.5988 -4.0946 -4.0946 -3.8908 -3.8908 3.5921 3.5921 4.0526 4.0526 5.8489 5.8489 6.1426 6.1426 7.1218 7.1218 7.6522 7.6522 8.1481 8.1481 9.2986 9.2986 9.5988 9.5988 11.3084 11.3084 11.4116 11.4116 k = 0.3796 0.2192 0.2873 ( 4850 PWs) bands (ev): -62.5840 -62.5840 -34.6650 -34.6650 -33.7495 -33.7495 -33.5989 -33.5989 -4.0585 -4.0585 -3.8624 -3.8624 3.5198 3.5198 4.0056 4.0056 5.8436 5.8436 6.1312 6.1312 7.1350 7.1350 7.6660 7.6660 8.1294 8.1294 9.2675 9.2675 9.5855 9.5855 11.3430 11.3430 11.4396 11.4396 k = 0.3889 0.2245 0.2873 ( 4846 PWs) bands (ev): -62.5836 -62.5836 -34.6653 -34.6653 -33.7500 -33.7500 -33.5988 -33.5988 -4.0247 -4.0247 -3.8346 -3.8346 3.4494 3.4494 3.9635 3.9635 5.8364 5.8364 6.1202 6.1202 7.1524 7.1524 7.6810 7.6810 8.1128 8.1128 9.2390 9.2390 9.5745 9.5745 11.3593 11.3593 11.4889 11.4889 k = 0.3981 0.2299 0.2873 ( 4842 PWs) bands (ev): -62.5833 -62.5833 -34.6656 -34.6656 -33.7505 -33.7505 -33.5988 -33.5988 -3.9934 -3.9934 -3.8076 -3.8076 3.3818 3.3818 3.9258 3.9258 5.8270 5.8270 6.1099 6.1099 7.1730 7.1730 7.6962 7.6962 8.0956 8.0956 9.2112 9.2112 9.5656 9.5656 11.3667 11.3667 11.5462 11.5462 k = 0.4074 0.2352 0.2873 ( 4848 PWs) bands (ev): -62.5837 -62.5837 -34.6659 -34.6659 -33.7510 -33.7510 -33.5989 -33.5989 -3.9648 -3.9648 -3.7816 -3.7816 3.3173 3.3173 3.8920 3.8920 5.8159 5.8159 6.0996 6.0996 7.1960 7.1960 7.7116 7.7116 8.0773 8.0773 9.1848 9.1848 9.5534 9.5534 11.3698 11.3698 11.6041 11.6041 k = 0.4167 0.2406 0.2873 ( 4848 PWs) bands (ev): -62.5837 -62.5837 -34.6662 -34.6662 -33.7514 -33.7514 -33.5989 -33.5989 -3.9389 -3.9389 -3.7569 -3.7569 3.2572 3.2572 3.8621 3.8621 5.8043 5.8043 6.0900 6.0900 7.2211 7.2211 7.7269 7.7269 8.0605 8.0605 9.1593 9.1593 9.5427 9.5427 11.3721 11.3721 11.6638 11.6638 k = 0.4259 0.2459 0.2873 ( 4856 PWs) bands (ev): -62.5843 -62.5843 -34.6665 -34.6665 -33.7519 -33.7519 -33.5991 -33.5991 -3.9158 -3.9158 -3.7337 -3.7337 3.2018 3.2018 3.8356 3.8356 5.7919 5.7919 6.0804 6.0804 7.2471 7.2471 7.7419 7.7419 8.0423 8.0423 9.1352 9.1352 9.5325 9.5325 11.3723 11.3723 11.7192 11.7192 k = 0.4352 0.2513 0.2873 ( 4854 PWs) bands (ev): -62.5841 -62.5841 -34.6667 -34.6667 -33.7522 -33.7522 -33.5990 -33.5990 -3.8954 -3.8954 -3.7123 -3.7123 3.1520 3.1520 3.8125 3.8125 5.7803 5.7803 6.0721 6.0721 7.2733 7.2733 7.7565 7.7565 8.0259 8.0259 9.1130 9.1130 9.5240 9.5240 11.3731 11.3731 11.7749 11.7749 k = 0.4444 0.2566 0.2873 ( 4846 PWs) bands (ev): -62.5835 -62.5835 -34.6668 -34.6668 -33.7524 -33.7524 -33.5990 -33.5990 -3.8779 -3.8779 -3.6931 -3.6931 3.1079 3.1079 3.7926 3.7926 5.7693 5.7693 6.0653 6.0653 7.2987 7.2987 7.7707 7.7707 8.0101 8.0101 9.0978 9.0978 9.5156 9.5156 11.3748 11.3748 11.8261 11.8261 k = 0.4537 0.2619 0.2873 ( 4842 PWs) bands (ev): -62.5831 -62.5831 -34.6669 -34.6669 -33.7526 -33.7526 -33.5988 -33.5988 -3.8631 -3.8631 -3.6763 -3.6763 3.0700 3.0700 3.7758 3.7758 5.7594 5.7594 6.0592 6.0592 7.3225 7.3225 7.7838 7.7838 7.9949 7.9949 9.0815 9.0815 9.5101 9.5101 11.3757 11.3757 11.8716 11.8716 k = 0.4630 0.2673 0.2873 ( 4850 PWs) bands (ev): -62.5838 -62.5838 -34.6672 -34.6672 -33.7530 -33.7530 -33.5989 -33.5989 -3.8510 -3.8510 -3.6622 -3.6622 3.0385 3.0385 3.7621 3.7621 5.7505 5.7505 6.0536 6.0536 7.3436 7.3436 7.7955 7.7955 7.9797 7.9797 9.0623 9.0623 9.5039 9.5039 11.3756 11.3756 11.9106 11.9106 k = 0.4722 0.2726 0.2873 ( 4842 PWs) bands (ev): -62.5831 -62.5831 -34.6672 -34.6672 -33.7532 -33.7532 -33.5987 -33.5987 -3.8417 -3.8417 -3.6510 -3.6510 3.0138 3.0138 3.7515 3.7515 5.7438 5.7438 6.0502 6.0502 7.3612 7.3612 7.8059 7.8059 7.9682 7.9682 9.0518 9.0518 9.4990 9.4990 11.3775 11.3775 11.9445 11.9445 k = 0.4815 0.2780 0.2873 ( 4840 PWs) bands (ev): -62.5830 -62.5830 -34.6672 -34.6672 -33.7533 -33.7533 -33.5987 -33.5987 -3.8350 -3.8350 -3.6428 -3.6428 2.9960 2.9960 3.7440 3.7440 5.7388 5.7388 6.0473 6.0473 7.3744 7.3744 7.8142 7.8142 7.9583 7.9583 9.0437 9.0437 9.4952 9.4952 11.3778 11.3778 11.9689 11.9689 k = 0.4907 0.2833 0.2873 ( 4840 PWs) bands (ev): -62.5830 -62.5830 -34.6673 -34.6673 -33.7533 -33.7533 -33.5987 -33.5987 -3.8310 -3.8310 -3.6379 -3.6379 2.9853 2.9853 3.7394 3.7394 5.7356 5.7356 6.0455 6.0455 7.3826 7.3826 7.8197 7.8197 7.9514 7.9514 9.0389 9.0389 9.4928 9.4928 11.3779 11.3779 11.9833 11.9833 k = 0.5000 0.2887 0.2873 ( 4840 PWs) bands (ev): -62.5830 -62.5830 -34.6673 -34.6673 -33.7534 -33.7534 -33.5987 -33.5987 -3.8297 -3.8297 -3.6363 -3.6363 2.9817 2.9817 3.7379 3.7379 5.7345 5.7345 6.0449 6.0449 7.3854 7.3854 7.8216 7.8216 7.9490 7.9490 9.0372 9.0372 9.4920 9.4920 11.3780 11.3780 11.9882 11.9882 k = 0.5000 0.2887 0.2873 ( 4840 PWs) bands (ev): -62.5830 -62.5830 -34.6673 -34.6673 -33.7534 -33.7534 -33.5987 -33.5987 -3.8297 -3.8297 -3.6363 -3.6363 2.9817 2.9817 3.7379 3.7379 5.7345 5.7345 6.0449 6.0449 7.3854 7.3854 7.8216 7.8216 7.9490 7.9490 9.0372 9.0372 9.4920 9.4920 11.3780 11.3780 11.9882 11.9882 k = 0.4946 0.2980 0.2873 ( 4840 PWs) bands (ev): -62.5830 -62.5830 -34.6673 -34.6673 -33.7534 -33.7534 -33.5987 -33.5987 -3.8291 -3.8291 -3.6360 -3.6360 2.9831 2.9831 3.7386 3.7386 5.7345 5.7345 6.0435 6.0435 7.3818 7.3818 7.7872 7.7872 7.9802 7.9802 9.0382 9.0382 9.4916 9.4916 11.3741 11.3741 11.9885 11.9885 k = 0.4892 0.3073 0.2873 ( 4844 PWs) bands (ev): -62.5833 -62.5833 -34.6673 -34.6673 -33.7534 -33.7534 -33.5988 -33.5988 -3.8275 -3.8275 -3.6353 -3.6353 2.9873 2.9873 3.7408 3.7408 5.7344 5.7344 6.0391 6.0391 7.3706 7.3706 7.7213 7.7213 8.0366 8.0366 9.0412 9.0412 9.4881 9.4881 11.3622 11.3622 11.9893 11.9893 k = 0.4839 0.3166 0.2873 ( 4842 PWs) bands (ev): -62.5831 -62.5831 -34.6673 -34.6673 -33.7533 -33.7533 -33.5988 -33.5988 -3.8247 -3.8247 -3.6341 -3.6341 2.9943 2.9943 3.7444 3.7444 5.7350 5.7350 6.0319 6.0319 7.3510 7.3510 7.6484 7.6484 8.0971 8.0971 9.0462 9.0462 9.4845 9.4845 11.3432 11.3432 11.9917 11.9917 k = 0.4785 0.3259 0.2873 ( 4846 PWs) bands (ev): -62.5834 -62.5834 -34.6674 -34.6674 -33.7534 -33.7534 -33.5990 -33.5990 -3.8209 -3.8209 -3.6325 -3.6325 3.0040 3.0040 3.7494 3.7494 5.7344 5.7344 6.0213 6.0213 7.3211 7.3211 7.5748 7.5748 8.1548 8.1548 9.0543 9.0543 9.4804 9.4804 11.3166 11.3166 11.9925 11.9925 k = 0.4731 0.3352 0.2873 ( 4850 PWs) bands (ev): -62.5837 -62.5837 -34.6675 -34.6675 -33.7535 -33.7535 -33.5990 -33.5990 -3.8161 -3.8161 -3.6304 -3.6304 3.0166 3.0166 3.7558 3.7558 5.7330 5.7330 6.0091 6.0091 7.2780 7.2780 7.5051 7.5051 8.2091 8.2091 9.0615 9.0615 9.4766 9.4766 11.2878 11.2878 11.9935 11.9935 k = 0.4677 0.3445 0.2873 ( 4850 PWs) bands (ev): -62.5837 -62.5837 -34.6675 -34.6675 -33.7536 -33.7536 -33.5990 -33.5990 -3.8102 -3.8102 -3.6279 -3.6279 3.0320 3.0320 3.7635 3.7635 5.7314 5.7314 5.9944 5.9944 7.2198 7.2198 7.4434 7.4434 8.2612 8.2612 9.0705 9.0705 9.4715 9.4715 11.2555 11.2555 11.9955 11.9955 k = 0.4624 0.3539 0.2873 ( 4842 PWs) bands (ev): -62.5831 -62.5831 -34.6675 -34.6675 -33.7535 -33.7535 -33.5990 -33.5990 -3.8033 -3.8033 -3.6250 -3.6250 3.0500 3.0500 3.7726 3.7726 5.7295 5.7295 5.9775 5.9775 7.1474 7.1474 7.3897 7.3897 8.3125 8.3125 9.0829 9.0829 9.4654 9.4654 11.2215 11.2215 11.9981 11.9981 k = 0.4570 0.3632 0.2873 ( 4828 PWs) bands (ev): -62.5819 -62.5819 -34.6674 -34.6674 -33.7534 -33.7534 -33.5988 -33.5988 -3.7955 -3.7955 -3.6217 -3.6217 3.0708 3.0708 3.7830 3.7830 5.7254 5.7254 5.9595 5.9595 7.0644 7.0644 7.3413 7.3413 8.3601 8.3601 9.0987 9.0987 9.4593 9.4593 11.1901 11.1901 11.9997 11.9997 k = 0.4516 0.3725 0.2873 ( 4832 PWs) bands (ev): -62.5823 -62.5823 -34.6675 -34.6675 -33.7536 -33.7536 -33.5989 -33.5989 -3.7867 -3.7867 -3.6181 -3.6181 3.0943 3.0943 3.7946 3.7946 5.7187 5.7187 5.9378 5.9378 6.9752 6.9752 7.2950 7.2950 8.4044 8.4044 9.1099 9.1099 9.4509 9.4509 11.1554 11.1554 11.9988 11.9988 k = 0.4462 0.3818 0.2873 ( 4830 PWs) bands (ev): -62.5821 -62.5821 -34.6675 -34.6675 -33.7537 -33.7537 -33.5989 -33.5989 -3.7772 -3.7772 -3.6141 -3.6141 3.1205 3.1205 3.8074 3.8074 5.7093 5.7093 5.9146 5.9146 6.8837 6.8837 7.2491 7.2491 8.4474 8.4474 9.1222 9.1222 9.4420 9.4420 11.1240 11.1240 11.9974 11.9974 k = 0.4409 0.3911 0.2873 ( 4834 PWs) bands (ev): -62.5824 -62.5824 -34.6677 -34.6677 -33.7538 -33.7538 -33.5990 -33.5990 -3.7668 -3.7668 -3.6099 -3.6099 3.1493 3.1493 3.8212 3.8212 5.6957 5.6957 5.8889 5.8889 6.7928 6.7928 7.2024 7.2024 8.4876 8.4876 9.1341 9.1341 9.4311 9.4311 11.0950 11.0950 11.9936 11.9936 k = 0.4355 0.4004 0.2873 ( 4838 PWs) bands (ev): -62.5827 -62.5827 -34.6678 -34.6678 -33.7541 -33.7541 -33.5991 -33.5991 -3.7557 -3.7557 -3.6054 -3.6054 3.1806 3.1806 3.8362 3.8362 5.6770 5.6770 5.8611 5.8611 6.7052 6.7052 7.1547 7.1547 8.5262 8.5262 9.1457 9.1457 9.4189 9.4189 11.0708 11.0708 11.9879 11.9879 k = 0.4301 0.4097 0.2873 ( 4830 PWs) bands (ev): -62.5821 -62.5821 -34.6678 -34.6678 -33.7541 -33.7541 -33.5991 -33.5991 -3.7440 -3.7440 -3.6006 -3.6006 3.2148 3.2148 3.8520 3.8520 5.6529 5.6529 5.8308 5.8308 6.6240 6.6240 7.1060 7.1060 8.5648 8.5648 9.1583 9.1583 9.4090 9.4090 11.0515 11.0515 11.9826 11.9826 k = 0.4247 0.4190 0.2873 ( 4830 PWs) bands (ev): -62.5821 -62.5821 -34.6679 -34.6679 -33.7542 -33.7542 -33.5991 -33.5991 -3.7317 -3.7317 -3.5958 -3.5958 3.2514 3.2514 3.8687 3.8687 5.6213 5.6213 5.7974 5.7974 6.5508 6.5508 7.0563 7.0563 8.6012 8.6012 9.1683 9.1683 9.3966 9.3966 11.0375 11.0375 11.9737 11.9737 k = 0.4194 0.4284 0.2873 ( 4836 PWs) bands (ev): -62.5825 -62.5825 -34.6680 -34.6680 -33.7544 -33.7544 -33.5992 -33.5992 -3.7189 -3.7189 -3.5908 -3.5908 3.2903 3.2903 3.8860 3.8860 5.5806 5.5806 5.7606 5.7606 6.4880 6.4880 7.0062 7.0062 8.6346 8.6346 9.1784 9.1784 9.3827 9.3827 11.0285 11.0285 11.9610 11.9610 k = 0.4140 0.4377 0.2873 ( 4828 PWs) bands (ev): -62.5819 -62.5819 -34.6680 -34.6680 -33.7545 -33.7545 -33.5991 -33.5991 -3.7057 -3.7057 -3.5858 -3.5858 3.3318 3.3318 3.9040 3.9040 5.5311 5.5311 5.7224 5.7224 6.4372 6.4372 6.9560 6.9560 8.6695 8.6695 9.1870 9.1870 9.3698 9.3698 11.0282 11.0282 11.9487 11.9487 k = 0.4086 0.4470 0.2873 ( 4828 PWs) bands (ev): -62.5819 -62.5819 -34.6681 -34.6681 -33.7547 -33.7547 -33.5991 -33.5991 -3.6923 -3.6923 -3.5807 -3.5807 3.3756 3.3756 3.9223 3.9223 5.4713 5.4713 5.6825 5.6825 6.3982 6.3982 6.9058 6.9058 8.7030 8.7030 9.1925 9.1925 9.3554 9.3554 11.0317 11.0317 11.9333 11.9333 k = 0.4032 0.4563 0.2873 ( 4828 PWs) bands (ev): -62.5819 -62.5819 -34.6682 -34.6682 -33.7548 -33.7548 -33.5992 -33.5992 -3.6787 -3.6787 -3.5758 -3.5758 3.4216 3.4216 3.9409 3.9409 5.4016 5.4016 5.6427 5.6427 6.3702 6.3702 6.8563 6.8563 8.7358 8.7358 9.1963 9.1963 9.3404 9.3404 11.0411 11.0411 11.9157 11.9157 k = 0.3978 0.4656 0.2873 ( 4832 PWs) bands (ev): -62.5822 -62.5822 -34.6684 -34.6684 -33.7551 -33.7551 -33.5992 -33.5992 -3.6650 -3.6650 -3.5709 -3.5709 3.4698 3.4698 3.9594 3.9594 5.3233 5.3233 5.6035 5.6035 6.3517 6.3517 6.8079 6.8079 8.7672 8.7672 9.1973 9.1973 9.3247 9.3247 11.0557 11.0557 11.8955 11.8955 k = 0.3925 0.4749 0.2873 ( 4832 PWs) bands (ev): -62.5822 -62.5822 -34.6685 -34.6685 -33.7552 -33.7552 -33.5993 -33.5993 -3.6514 -3.6514 -3.5663 -3.5663 3.5201 3.5201 3.9778 3.9778 5.2389 5.2389 5.5656 5.5656 6.3412 6.3412 6.7611 6.7611 8.7985 8.7985 9.1977 9.1977 9.3091 9.3091 11.0760 11.0760 11.8735 11.8735 k = 0.3871 0.4842 0.2873 ( 4836 PWs) bands (ev): -62.5825 -62.5825 -34.6686 -34.6686 -33.7555 -33.7555 -33.5993 -33.5993 -3.6380 -3.6380 -3.5618 -3.5618 3.5723 3.5723 3.9957 3.9957 5.1501 5.1501 5.5289 5.5289 6.3369 6.3369 6.7160 6.7160 8.8284 8.8284 9.1953 9.1953 9.2932 9.2932 11.1006 11.1006 11.8489 11.8489 k = 0.3817 0.4935 0.2873 ( 4838 PWs) bands (ev): -62.5827 -62.5827 -34.6687 -34.6687 -33.7556 -33.7556 -33.5993 -33.5993 -3.6250 -3.6250 -3.5577 -3.5577 3.6262 3.6262 4.0129 4.0129 5.0591 5.0591 5.4937 5.4937 6.3374 6.3374 6.6735 6.6735 8.8578 8.8578 9.1924 9.1924 9.2770 9.2770 11.1299 11.1299 11.8224 11.8224 k = 0.3763 0.5029 0.2873 ( 4830 PWs) bands (ev): -62.5820 -62.5820 -34.6687 -34.6687 -33.7557 -33.7557 -33.5992 -33.5992 -3.6124 -3.6124 -3.5540 -3.5540 3.6816 3.6816 4.0293 4.0293 4.9678 4.9678 5.4608 5.4608 6.3423 6.3423 6.6339 6.6339 8.8877 8.8877 9.1887 9.1887 9.2624 9.2624 11.1649 11.1649 11.7954 11.7954 k = 0.3710 0.5122 0.2873 ( 4830 PWs) bands (ev): -62.5820 -62.5820 -34.6688 -34.6688 -33.7558 -33.7558 -33.5992 -33.5992 -3.6004 -3.6004 -3.5507 -3.5507 3.7380 3.7380 4.0445 4.0445 4.8773 4.8773 5.4299 5.4299 6.3494 6.3494 6.5970 6.5970 8.9156 8.9156 9.1829 9.1829 9.2479 9.2479 11.2016 11.2016 11.7647 11.7647 k = 0.3656 0.5215 0.2873 ( 4822 PWs) bands (ev): -62.5814 -62.5814 -34.6688 -34.6688 -33.7558 -33.7558 -33.5991 -33.5991 -3.5892 -3.5892 -3.5479 -3.5479 3.7950 3.7950 4.0584 4.0584 4.7891 4.7891 5.4019 5.4019 6.3588 6.3588 6.5636 6.5636 8.9432 8.9432 9.1772 9.1772 9.2355 9.2355 11.2421 11.2421 11.7333 11.7333 k = 0.3602 0.5308 0.2873 ( 4834 PWs) bands (ev): -62.5823 -62.5823 -34.6690 -34.6690 -33.7561 -33.7561 -33.5993 -33.5993 -3.5790 -3.5790 -3.5458 -3.5458 3.8514 3.8514 4.0709 4.0709 4.7042 4.7042 5.3770 5.3770 6.3688 6.3688 6.5326 6.5326 8.9658 8.9658 9.1666 9.1666 9.2222 9.2222 11.2817 11.2817 11.6978 11.6978 k = 0.3548 0.5401 0.2873 ( 4822 PWs) bands (ev): -62.5814 -62.5814 -34.6689 -34.6689 -33.7560 -33.7560 -33.5992 -33.5992 -3.5699 -3.5699 -3.5443 -3.5443 3.9057 3.9057 4.0829 4.0829 4.6249 4.6249 5.3560 5.3560 6.3804 6.3804 6.5066 6.5066 8.9902 8.9902 9.1586 9.1586 9.2139 9.2139 11.3272 11.3272 11.6629 11.6629 k = 0.3495 0.5494 0.2873 ( 4826 PWs) bands (ev): -62.5817 -62.5817 -34.6690 -34.6690 -33.7561 -33.7561 -33.5993 -33.5993 -3.5620 -3.5620 -3.5435 -3.5435 3.9544 3.9544 4.0952 4.0952 4.5528 4.5528 5.3391 5.3391 6.3916 6.3916 6.4834 6.4834 9.0094 9.0094 9.1483 9.1483 9.2054 9.2054 11.3700 11.3700 11.6252 11.6252 k = 0.3441 0.5587 0.2873 ( 4830 PWs) bands (ev): -62.5820 -62.5820 -34.6691 -34.6691 -33.7562 -33.7562 -33.5993 -33.5993 -3.5556 -3.5556 -3.5434 -3.5434 3.9924 3.9924 4.1099 4.1099 4.4918 4.4918 5.3267 5.3267 6.4020 6.4020 6.4646 6.4646 9.0244 9.0244 9.1394 9.1394 9.1988 9.1988 11.4130 11.4130 11.5861 11.5861 k = 0.3387 0.5680 0.2873 ( 4830 PWs) bands (ev): -62.5820 -62.5820 -34.6691 -34.6691 -33.7563 -33.7563 -33.5993 -33.5993 -3.5511 -3.5511 -3.5439 -3.5439 4.0144 4.0144 4.1259 4.1259 4.4486 4.4486 5.3193 5.3193 6.4104 6.4104 6.4516 6.4516 9.0347 9.0347 9.1338 9.1338 9.1947 9.1947 11.4548 11.4548 11.5476 11.5476 k = 0.3333 0.5774 0.2873 ( 4830 PWs) bands (ev): -62.5820 -62.5820 -34.6691 -34.6691 -33.7563 -33.7563 -33.5993 -33.5993 -3.5492 -3.5492 -3.5444 -3.5444 4.0209 4.0209 4.1337 4.1337 4.4325 4.4325 5.3168 5.3168 6.4136 6.4136 6.4468 6.4468 9.0384 9.0384 9.1323 9.1323 9.1932 9.1932 11.4829 11.4829 11.5202 11.5202 k = 0.3333 0.5774 0.2873 ( 4830 PWs) bands (ev): -62.5820 -62.5820 -34.6691 -34.6691 -33.7563 -33.7563 -33.5993 -33.5993 -3.5492 -3.5492 -3.5444 -3.5444 4.0209 4.0209 4.1337 4.1337 4.4325 4.4325 5.3168 5.3168 6.4136 6.4136 6.4468 6.4468 9.0384 9.0384 9.1323 9.1323 9.1932 9.1932 11.4829 11.4829 11.5202 11.5202 k = 0.3280 0.5680 0.2873 ( 4828 PWs) bands (ev): -62.5819 -62.5819 -34.6691 -34.6691 -33.7562 -33.7562 -33.5993 -33.5993 -3.5508 -3.5508 -3.5443 -3.5443 4.0155 4.0155 4.1253 4.1253 4.4483 4.4483 5.3193 5.3193 6.4116 6.4116 6.4504 6.4504 9.0356 9.0356 9.1335 9.1335 9.1952 9.1952 11.4556 11.4556 11.5470 11.5470 k = 0.3226 0.5587 0.2873 ( 4836 PWs) bands (ev): -62.5825 -62.5825 -34.6691 -34.6691 -33.7563 -33.7563 -33.5994 -33.5994 -3.5544 -3.5544 -3.5452 -3.5452 4.0007 4.0007 4.1050 4.1050 4.4894 4.4894 5.3266 5.3266 6.4084 6.4084 6.4568 6.4568 9.0281 9.0281 9.1332 9.1332 9.1992 9.1992 11.4136 11.4136 11.5825 11.5825 k = 0.3172 0.5494 0.2873 ( 4836 PWs) bands (ev): -62.5825 -62.5825 -34.6691 -34.6691 -33.7563 -33.7563 -33.5994 -33.5994 -3.5594 -3.5594 -3.5479 -3.5479 3.9781 3.9781 4.0821 4.0821 4.5459 4.5459 5.3387 5.3387 6.4075 6.4075 6.4639 6.4639 9.0191 9.0191 9.1334 9.1334 9.2074 9.2074 11.3716 11.3716 11.6171 11.6171 k = 0.3118 0.5401 0.2873 ( 4840 PWs) bands (ev): -62.5828 -62.5828 -34.6691 -34.6691 -33.7562 -33.7562 -33.5995 -33.5995 -3.5656 -3.5656 -3.5528 -3.5528 3.9503 3.9503 4.0611 4.0611 4.6108 4.6108 5.3550 5.3550 6.4091 6.4091 6.4702 6.4702 9.0084 9.0084 9.1323 9.1323 9.2171 9.2171 11.3294 11.3294 11.6470 11.6470 k = 0.3065 0.5308 0.2873 ( 4836 PWs) bands (ev): -62.5825 -62.5825 -34.6690 -34.6690 -33.7560 -33.7560 -33.5994 -33.5994 -3.5730 -3.5730 -3.5600 -3.5600 3.9211 3.9211 4.0425 4.0425 4.6809 4.6809 5.3755 5.3755 6.4141 6.4141 6.4757 6.4757 8.9998 8.9998 9.1319 9.1319 9.2269 9.2269 11.2881 11.2881 11.6748 11.6748 k = 0.3011 0.5215 0.2873 ( 4840 PWs) bands (ev): -62.5828 -62.5828 -34.6689 -34.6689 -33.7560 -33.7560 -33.5994 -33.5994 -3.5818 -3.5818 -3.5695 -3.5695 3.8933 3.8933 4.0256 4.0256 4.7541 4.7541 5.3996 5.3996 6.4212 6.4212 6.4799 6.4799 8.9904 8.9904 9.1293 9.1293 9.2367 9.2367 11.2467 11.2467 11.6962 11.6962 k = 0.2957 0.5122 0.2873 ( 4836 PWs) bands (ev): -62.5825 -62.5825 -34.6688 -34.6688 -33.7557 -33.7557 -33.5994 -33.5994 -3.5918 -3.5918 -3.5814 -3.5814 3.8689 3.8689 4.0102 4.0102 4.8294 4.8294 5.4271 5.4271 6.4303 6.4303 6.4843 6.4843 8.9824 8.9824 9.1279 9.1279 9.2476 9.2476 11.2070 11.2070 11.7136 11.7136 k = 0.2903 0.5029 0.2873 ( 4828 PWs) bands (ev): -62.5818 -62.5818 -34.6685 -34.6685 -33.7554 -33.7554 -33.5992 -33.5992 -3.6033 -3.6033 -3.5957 -3.5957 3.8491 3.8491 3.9961 3.9961 4.9061 4.9061 5.4576 5.4576 6.4391 6.4391 6.4903 6.4903 8.9763 8.9763 9.1283 9.1283 9.2575 9.2575 11.1688 11.1688 11.7262 11.7262 k = 0.2849 0.4935 0.2873 ( 4826 PWs) bands (ev): -62.5817 -62.5817 -34.6684 -34.6684 -33.7551 -33.7551 -33.5992 -33.5992 -3.6167 -3.6167 -3.6120 -3.6120 3.8345 3.8345 3.9834 3.9834 4.9836 4.9836 5.4906 5.4906 6.4439 6.4439 6.5009 6.5009 8.9696 8.9696 9.1277 9.1277 9.2651 9.2651 11.1324 11.1324 11.7321 11.7321 k = 0.2796 0.4842 0.2873 ( 4830 PWs) bands (ev): -62.5820 -62.5820 -34.6683 -34.6683 -33.7549 -33.7549 -33.5993 -33.5993 -3.6341 -3.6341 -3.6281 -3.6281 3.8254 3.8254 3.9722 3.9722 5.0613 5.0613 5.5260 5.5260 6.4422 6.4422 6.5179 6.5179 8.9628 8.9628 9.1264 9.1264 9.2730 9.2730 11.0957 11.0957 11.7313 11.7313 k = 0.2742 0.4749 0.2873 ( 4830 PWs) bands (ev): -62.5821 -62.5821 -34.6681 -34.6681 -33.7546 -33.7546 -33.5992 -33.5992 -3.6557 -3.6557 -3.6439 -3.6439 3.8223 3.8223 3.9629 3.9629 5.1391 5.1391 5.5634 5.5634 6.4357 6.4357 6.5407 6.5407 8.9572 8.9572 9.1255 9.1255 9.2815 9.2815 11.0628 11.0628 11.7243 11.7243 k = 0.2688 0.4656 0.2873 ( 4826 PWs) bands (ev): -62.5818 -62.5818 -34.6678 -34.6678 -33.7542 -33.7542 -33.5992 -33.5992 -3.6801 -3.6801 -3.6605 -3.6605 3.8251 3.8251 3.9558 3.9558 5.2167 5.2167 5.6030 5.6030 6.4251 6.4251 6.5684 6.5684 8.9515 8.9515 9.1268 9.1268 9.2901 9.2901 11.0316 11.0316 11.7132 11.7132 k = 0.2634 0.4563 0.2873 ( 4834 PWs) bands (ev): -62.5824 -62.5824 -34.6677 -34.6677 -33.7540 -33.7540 -33.5992 -33.5992 -3.7072 -3.7072 -3.6784 -3.6784 3.8337 3.8337 3.9510 3.9510 5.2935 5.2935 5.6438 5.6438 6.4108 6.4108 6.5989 6.5989 8.9451 8.9451 9.1262 9.1262 9.2974 9.2974 11.0022 11.0022 11.6934 11.6934 k = 0.2581 0.4470 0.2873 ( 4838 PWs) bands (ev): -62.5828 -62.5828 -34.6675 -34.6675 -33.7537 -33.7537 -33.5992 -33.5992 -3.7366 -3.7366 -3.6975 -3.6975 3.8481 3.8481 3.9487 3.9487 5.3693 5.3693 5.6866 5.6866 6.3939 6.3939 6.6328 6.6328 8.9389 8.9389 9.1250 9.1250 9.3076 9.3076 10.9753 10.9753 11.6701 11.6701 k = 0.2527 0.4377 0.2873 ( 4834 PWs) bands (ev): -62.5825 -62.5825 -34.6672 -34.6672 -33.7532 -33.7532 -33.5991 -33.5991 -3.7683 -3.7683 -3.7177 -3.7177 3.8679 3.8679 3.9499 3.9499 5.4439 5.4439 5.7312 5.7312 6.3745 6.3745 6.6699 6.6699 8.9317 8.9317 9.1271 9.1271 9.3196 9.3196 10.9518 10.9518 11.6438 11.6438 k = 0.2473 0.4284 0.2873 ( 4838 PWs) bands (ev): -62.5828 -62.5828 -34.6670 -34.6670 -33.7528 -33.7528 -33.5991 -33.5991 -3.8022 -3.8022 -3.7391 -3.7391 3.8919 3.8919 3.9551 3.9551 5.5168 5.5168 5.7769 5.7769 6.3525 6.3525 6.7090 6.7090 8.9227 8.9227 9.1287 9.1287 9.3323 9.3323 10.9298 10.9298 11.6118 11.6118 k = 0.2419 0.4190 0.2873 ( 4838 PWs) bands (ev): -62.5829 -62.5829 -34.6666 -34.6666 -33.7523 -33.7523 -33.5991 -33.5991 -3.8381 -3.8381 -3.7616 -3.7616 3.9175 3.9175 3.9674 3.9674 5.5876 5.5876 5.8242 5.8242 6.3287 6.3287 6.7502 6.7502 8.9126 8.9126 9.1311 9.1311 9.3495 9.3495 10.9103 10.9103 11.5768 11.5768 k = 0.2366 0.4097 0.2873 ( 4838 PWs) bands (ev): -62.5829 -62.5829 -34.6663 -34.6663 -33.7518 -33.7518 -33.5990 -33.5990 -3.8760 -3.8760 -3.7852 -3.7852 3.9394 3.9394 3.9917 3.9917 5.6559 5.6559 5.8730 5.8730 6.3033 6.3033 6.7930 6.7930 8.9013 8.9013 9.1340 9.1340 9.3695 9.3695 10.8930 10.8930 11.5389 11.5389 k = 0.2312 0.4004 0.2873 ( 4838 PWs) bands (ev): -62.5829 -62.5829 -34.6660 -34.6660 -33.7512 -33.7512 -33.5991 -33.5991 -3.9156 -3.9156 -3.8098 -3.8098 3.9565 3.9565 4.0290 4.0290 5.7213 5.7213 5.9225 5.9225 6.2769 6.2769 6.8370 6.8370 8.8886 8.8886 9.1385 9.1385 9.3933 9.3933 10.8784 10.8784 11.4964 11.4964 k = 0.2258 0.3911 0.2873 ( 4842 PWs) bands (ev): -62.5833 -62.5833 -34.6657 -34.6657 -33.7507 -33.7507 -33.5990 -33.5990 -3.9569 -3.9569 -3.8353 -3.8353 3.9722 3.9722 4.0752 4.0752 5.7826 5.7826 5.9740 5.9740 6.2503 6.2503 6.8820 6.8820 8.8744 8.8744 9.1415 9.1415 9.4169 9.4169 10.8661 10.8661 11.4545 11.4545 k = 0.2204 0.3818 0.2873 ( 4834 PWs) bands (ev): -62.5827 -62.5827 -34.6652 -34.6652 -33.7499 -33.7499 -33.5989 -33.5989 -3.9995 -3.9995 -3.8617 -3.8617 3.9894 3.9894 4.1279 4.1279 5.8393 5.8393 6.0265 6.0265 6.2252 6.2252 6.9277 6.9277 8.8611 8.8611 9.1475 9.1475 9.4490 9.4490 10.8564 10.8564 11.4105 11.4105 k = 0.2151 0.3725 0.2873 ( 4830 PWs) bands (ev): -62.5825 -62.5825 -34.6647 -34.6647 -33.7492 -33.7492 -33.5989 -33.5989 -4.0435 -4.0435 -3.8888 -3.8888 4.0083 4.0083 4.1857 4.1857 5.8890 5.8890 6.0801 6.0801 6.2031 6.2031 6.9734 6.9734 8.8459 8.8459 9.1534 9.1534 9.4835 9.4835 10.8485 10.8485 11.3659 11.3659 k = 0.2097 0.3632 0.2873 ( 4826 PWs) bands (ev): -62.5822 -62.5822 -34.6643 -34.6643 -33.7485 -33.7485 -33.5988 -33.5988 -4.0886 -4.0886 -3.9166 -3.9166 4.0299 4.0299 4.2480 4.2480 5.9285 5.9285 6.1338 6.1338 6.1884 6.1884 7.0188 7.0188 8.8298 8.8298 9.1619 9.1619 9.5198 9.5198 10.8430 10.8430 11.3201 11.3201 k = 0.2043 0.3539 0.2873 ( 4830 PWs) bands (ev): -62.5826 -62.5826 -34.6639 -34.6639 -33.7479 -33.7479 -33.5988 -33.5988 -4.1347 -4.1347 -3.9451 -3.9451 4.0534 4.0534 4.3139 4.3139 5.9530 5.9530 6.1754 6.1754 6.1989 6.1989 7.0633 7.0633 8.8129 8.8129 9.1685 9.1685 9.5569 9.5569 10.8387 10.8387 11.2750 11.2750 k = 0.1989 0.3445 0.2873 ( 4822 PWs) bands (ev): -62.5821 -62.5821 -34.6634 -34.6634 -33.7470 -33.7470 -33.5987 -33.5987 -4.1816 -4.1816 -3.9741 -3.9741 4.0796 4.0796 4.3831 4.3831 5.9595 5.9595 6.1911 6.1911 6.2522 6.2522 7.1066 7.1066 8.7977 8.7977 9.1791 9.1791 9.5990 9.5990 10.8382 10.8382 11.2305 11.2305 k = 0.1935 0.3352 0.2873 ( 4822 PWs) bands (ev): -62.5821 -62.5821 -34.6629 -34.6629 -33.7463 -33.7463 -33.5987 -33.5987 -4.2290 -4.2290 -4.0035 -4.0035 4.1081 4.1081 4.4548 4.4548 5.9508 5.9508 6.2151 6.2151 6.3100 6.3100 7.1481 7.1481 8.7822 8.7822 9.1906 9.1906 9.6405 9.6405 10.8402 10.8402 11.1850 11.1850 k = 0.1882 0.3259 0.2873 ( 4826 PWs) bands (ev): -62.5825 -62.5825 -34.6625 -34.6625 -33.7456 -33.7456 -33.5987 -33.5987 -4.2770 -4.2770 -4.0333 -4.0333 4.1389 4.1389 4.5282 4.5282 5.9333 5.9333 6.2455 6.2455 6.3689 6.3689 7.1874 7.1874 8.7663 8.7663 9.2039 9.2039 9.6824 9.6824 10.8453 10.8453 11.1391 11.1391 k = 0.1828 0.3166 0.2873 ( 4814 PWs) bands (ev): -62.5817 -62.5817 -34.6619 -34.6619 -33.7446 -33.7446 -33.5986 -33.5986 -4.3252 -4.3252 -4.0633 -4.0633 4.1725 4.1725 4.6022 4.6022 5.9128 5.9128 6.2789 6.2789 6.4299 6.4299 7.2241 7.2241 8.7531 8.7531 9.2225 9.2225 9.7276 9.7276 10.8537 10.8537 11.0971 11.0971 k = 0.1774 0.3073 0.2873 ( 4810 PWs) bands (ev): -62.5814 -62.5814 -34.6613 -34.6613 -33.7437 -33.7437 -33.5985 -33.5985 -4.3736 -4.3736 -4.0935 -4.0935 4.2078 4.2078 4.6754 4.6754 5.8924 5.8924 6.3118 6.3118 6.4921 6.4921 7.2576 7.2576 8.7409 8.7409 9.2409 9.2409 9.7703 9.7703 10.8650 10.8650 11.0568 11.0568 k = 0.1720 0.2980 0.2873 ( 4812 PWs) bands (ev): -62.5817 -62.5817 -34.6609 -34.6609 -33.7430 -33.7430 -33.5985 -33.5985 -4.4220 -4.4220 -4.1238 -4.1238 4.2450 4.2450 4.7463 4.7463 5.8750 5.8750 6.3433 6.3433 6.5548 6.5548 7.2875 7.2875 8.7294 8.7294 9.2607 9.2607 9.8108 9.8108 10.8796 10.8796 11.0177 11.0177 k = 0.1667 0.2887 0.2873 ( 4814 PWs) bands (ev): -62.5819 -62.5819 -34.6604 -34.6604 -33.7422 -33.7422 -33.5985 -33.5985 -4.4702 -4.4702 -4.1541 -4.1541 4.2844 4.2844 4.8131 4.8131 5.8628 5.8628 6.3732 6.3732 6.6180 6.6180 7.3137 7.3137 8.7192 8.7192 9.2837 9.2837 9.8488 9.8488 10.8980 10.8980 10.9814 10.9814 k = 0.1613 0.2794 0.2873 ( 4810 PWs) bands (ev): -62.5817 -62.5817 -34.6598 -34.6598 -33.7413 -33.7413 -33.5984 -33.5984 -4.5181 -4.5181 -4.1844 -4.1844 4.3258 4.3258 4.8735 4.8735 5.8579 5.8579 6.4026 6.4026 6.6815 6.6815 7.3359 7.3359 8.7104 8.7104 9.3110 9.3110 9.8875 9.8875 10.9144 10.9144 10.9534 10.9534 k = 0.1559 0.2701 0.2873 ( 4820 PWs) bands (ev): -62.5826 -62.5826 -34.6594 -34.6594 -33.7406 -33.7406 -33.5986 -33.5986 -4.5656 -4.5656 -4.2144 -4.2144 4.3689 4.3689 4.9250 4.9250 5.8622 5.8622 6.4302 6.4302 6.7437 6.7437 7.3540 7.3540 8.7016 8.7016 9.3399 9.3399 9.9212 9.9212 10.8995 10.8995 10.9600 10.9600 k = 0.1505 0.2607 0.2873 ( 4820 PWs) bands (ev): -62.5827 -62.5827 -34.6589 -34.6589 -33.7398 -33.7398 -33.5985 -33.5985 -4.6126 -4.6126 -4.2442 -4.2442 4.4138 4.4138 4.9658 4.9658 5.8776 5.8776 6.4579 6.4579 6.8069 6.8069 7.3683 7.3683 8.6953 8.6953 9.3717 9.3717 9.9512 9.9512 10.8733 10.8733 10.9908 10.9908 k = 0.1452 0.2514 0.2873 ( 4820 PWs) bands (ev): -62.5828 -62.5828 -34.6584 -34.6584 -33.7390 -33.7390 -33.5985 -33.5985 -4.6588 -4.6588 -4.2737 -4.2737 4.4604 4.4604 4.9947 4.9947 5.9039 5.9039 6.4867 6.4867 6.8690 6.8690 7.3791 7.3791 8.6900 8.6900 9.4057 9.4057 9.9777 9.9777 10.8485 10.8485 11.0283 11.0283 k = 0.1398 0.2421 0.2873 ( 4816 PWs) bands (ev): -62.5826 -62.5826 -34.6579 -34.6579 -33.7381 -33.7381 -33.5984 -33.5984 -4.7043 -4.7043 -4.3027 -4.3027 4.5086 4.5086 5.0116 5.0116 5.9401 5.9401 6.5181 6.5181 6.9291 6.9291 7.3874 7.3874 8.6865 8.6865 9.4411 9.4411 10.0018 10.0018 10.8280 10.8280 11.0711 11.0711 k = 0.1344 0.2328 0.2873 ( 4806 PWs) bands (ev): -62.5819 -62.5819 -34.6573 -34.6573 -33.7371 -33.7371 -33.5982 -33.5982 -4.7488 -4.7488 -4.3313 -4.3313 4.5586 4.5586 5.0174 5.0174 5.9833 5.9833 6.5542 6.5542 6.9867 6.9867 7.3948 7.3948 8.6846 8.6846 9.4778 9.4778 10.0207 10.0207 10.8145 10.8145 11.1192 11.1192 k = 0.1290 0.2235 0.2873 ( 4818 PWs) bands (ev): -62.5829 -62.5829 -34.6569 -34.6569 -33.7365 -33.7365 -33.5983 -33.5983 -4.7924 -4.7924 -4.3593 -4.3593 4.6092 4.6092 5.0140 5.0140 6.0287 6.0287 6.5953 6.5953 7.0368 7.0368 7.4029 7.4029 8.6814 8.6814 9.5118 9.5118 10.0328 10.0328 10.8030 10.8030 11.1694 11.1694 k = 0.1237 0.2142 0.2873 ( 4814 PWs) bands (ev): -62.5827 -62.5827 -34.6564 -34.6564 -33.7356 -33.7356 -33.5983 -33.5983 -4.8349 -4.8349 -4.3866 -4.3866 4.6611 4.6611 5.0033 5.0033 6.0733 6.0733 6.6473 6.6473 7.0791 7.0791 7.4160 7.4160 8.6808 8.6808 9.5449 9.5449 10.0439 10.0439 10.8006 10.8006 11.2241 11.2241 k = 0.1183 0.2049 0.2873 ( 4810 PWs) bands (ev): -62.5824 -62.5824 -34.6558 -34.6558 -33.7347 -33.7347 -33.5982 -33.5982 -4.8761 -4.8761 -4.4133 -4.4133 4.7143 4.7143 4.9877 4.9877 6.1133 6.1133 6.7081 6.7081 7.1094 7.1094 7.4371 7.4371 8.6809 8.6809 9.5766 9.5766 10.0508 10.0508 10.8061 10.8061 11.2810 11.2810 k = 0.1129 0.1956 0.2873 ( 4804 PWs) bands (ev): -62.5821 -62.5821 -34.6553 -34.6553 -33.7339 -33.7339 -33.5981 -33.5981 -4.9161 -4.9161 -4.4392 -4.4392 4.7676 4.7676 4.9693 4.9693 6.1467 6.1467 6.7784 6.7784 7.1260 7.1260 7.4691 7.4691 8.6832 8.6832 9.6036 9.6036 10.0541 10.0541 10.8208 10.8208 11.3403 11.3403 k = 0.1075 0.1862 0.2873 ( 4808 PWs) bands (ev): -62.5825 -62.5825 -34.6549 -34.6549 -33.7332 -33.7332 -33.5981 -33.5981 -4.9547 -4.9547 -4.4643 -4.4643 4.8189 4.8189 4.9509 4.9509 6.1723 6.1723 6.8556 6.8556 7.1307 7.1307 7.5111 7.5111 8.6850 8.6850 9.6242 9.6242 10.0526 10.0526 10.8439 10.8439 11.3998 11.3998 k = 0.1022 0.1769 0.2873 ( 4812 PWs) bands (ev): -62.5829 -62.5829 -34.6544 -34.6544 -33.7325 -33.7325 -33.5982 -33.5982 -4.9919 -4.9919 -4.4886 -4.4886 4.8599 4.8599 4.9421 4.9421 6.1910 6.1910 6.9334 6.9334 7.1322 7.1322 7.5602 7.5602 8.6873 8.6873 9.6390 9.6390 10.0490 10.0490 10.8764 10.8764 11.4600 11.4600 k = 0.0968 0.1676 0.2873 ( 4808 PWs) bands (ev): -62.5826 -62.5826 -34.6540 -34.6540 -33.7317 -33.7317 -33.5981 -33.5981 -5.0276 -5.0276 -4.5119 -4.5119 4.8674 4.8674 4.9673 4.9673 6.2044 6.2044 6.9905 6.9905 7.1523 7.1523 7.6155 7.6155 8.6926 8.6926 9.6475 9.6475 10.0431 10.0431 10.9201 10.9201 11.5206 11.5206 k = 0.0914 0.1583 0.2873 ( 4812 PWs) bands (ev): -62.5830 -62.5830 -34.6536 -34.6536 -33.7311 -33.7311 -33.5981 -33.5981 -5.0617 -5.0617 -4.5342 -4.5342 4.8503 4.8503 5.0171 5.0171 6.2125 6.2125 7.0010 7.0010 7.2170 7.2170 7.6734 7.6734 8.6966 8.6966 9.6493 9.6493 10.0337 10.0337 10.9726 10.9726 11.5797 11.5797 k = 0.0860 0.1490 0.2873 ( 4808 PWs) bands (ev): -62.5828 -62.5828 -34.6531 -34.6531 -33.7303 -33.7303 -33.5981 -33.5981 -5.0941 -5.0941 -4.5555 -4.5555 4.8274 4.8274 5.0744 5.0744 6.2174 6.2174 6.9810 6.9810 7.3106 7.3106 7.7330 7.7330 8.7031 8.7031 9.6461 9.6461 10.0222 10.0222 11.0349 11.0349 11.6380 11.6380 k = 0.0806 0.1397 0.2873 ( 4812 PWs) bands (ev): -62.5831 -62.5831 -34.6528 -34.6528 -33.7297 -33.7297 -33.5981 -33.5981 -5.1249 -5.1249 -4.5757 -4.5757 4.8032 4.8032 5.1335 5.1335 6.2193 6.2193 6.9476 6.9476 7.4142 7.4142 7.7923 7.7923 8.7104 8.7104 9.6366 9.6366 10.0073 10.0073 11.1033 11.1033 11.6943 11.6943 k = 0.0753 0.1304 0.2873 ( 4808 PWs) bands (ev): -62.5829 -62.5829 -34.6523 -34.6523 -33.7290 -33.7290 -33.5980 -33.5980 -5.1539 -5.1539 -4.5948 -4.5948 4.7791 4.7791 5.1943 5.1943 6.2195 6.2195 6.9077 6.9077 7.5217 7.5217 7.8532 7.8532 8.7194 8.7194 9.6233 9.6233 9.9903 9.9903 11.1795 11.1795 11.7490 11.7490 k = 0.0699 0.1211 0.2873 ( 4800 PWs) bands (ev): -62.5823 -62.5823 -34.6519 -34.6519 -33.7283 -33.7283 -33.5979 -33.5979 -5.1811 -5.1811 -4.6127 -4.6127 4.7557 4.7557 5.2564 5.2564 6.2185 6.2185 6.8636 6.8636 7.6294 7.6294 7.9135 7.9135 8.7313 8.7313 9.6064 9.6064 9.9706 9.9706 11.2611 11.2611 11.8017 11.8017 k = 0.0645 0.1117 0.2873 ( 4792 PWs) bands (ev): -62.5817 -62.5817 -34.6515 -34.6515 -33.7277 -33.7277 -33.5978 -33.5978 -5.2064 -5.2064 -4.6295 -4.6295 4.7334 4.7334 5.3190 5.3190 6.2166 6.2166 6.8161 6.8161 7.7355 7.7355 7.9724 7.9724 8.7458 8.7458 9.5864 9.5864 9.9485 9.9485 11.3456 11.3456 11.8521 11.8521 k = 0.0591 0.1024 0.2873 ( 4808 PWs) bands (ev): -62.5831 -62.5831 -34.6513 -34.6513 -33.7274 -33.7274 -33.5980 -33.5980 -5.2299 -5.2299 -4.6450 -4.6450 4.7117 4.7117 5.3815 5.3815 6.2120 6.2120 6.7656 6.7656 7.8357 7.8357 8.0268 8.0268 8.7617 8.7617 9.5628 9.5628 9.9201 9.9201 11.4299 11.4299 11.8972 11.8972 k = 0.0538 0.0931 0.2873 ( 4800 PWs) bands (ev): -62.5825 -62.5825 -34.6510 -34.6510 -33.7268 -33.7268 -33.5979 -33.5979 -5.2515 -5.2515 -4.6593 -4.6593 4.6920 4.6920 5.4453 5.4453 6.2086 6.2086 6.7136 6.7136 7.9320 7.9320 8.0821 8.0821 8.7837 8.7837 9.5388 9.5388 9.8919 9.8919 11.5172 11.5172 11.9416 11.9416 k = 0.0484 0.0838 0.2873 ( 4796 PWs) bands (ev): -62.5822 -62.5822 -34.6507 -34.6507 -33.7263 -33.7263 -33.5978 -33.5978 -5.2711 -5.2711 -4.6723 -4.6723 4.6738 4.6738 5.5090 5.5090 6.2052 6.2052 6.6595 6.6595 8.0211 8.0211 8.1337 8.1337 8.8106 8.8106 9.5134 9.5134 9.8608 9.8608 11.6018 11.6018 11.9837 11.9837 k = 0.0430 0.0745 0.2873 ( 4792 PWs) bands (ev): -62.5819 -62.5819 -34.6504 -34.6504 -33.7258 -33.7258 -33.5978 -33.5978 -5.2887 -5.2887 -4.6840 -4.6840 4.6573 4.6573 5.5732 5.5732 6.2011 6.2011 6.6044 6.6044 8.1007 8.1007 8.1823 8.1823 8.8441 8.8441 9.4876 9.4876 9.8264 9.8264 11.6838 11.6838 12.0228 12.0228 k = 0.0376 0.0652 0.2873 ( 4796 PWs) bands (ev): -62.5823 -62.5823 -34.6502 -34.6502 -33.7255 -33.7255 -33.5978 -33.5978 -5.3043 -5.3043 -4.6944 -4.6944 4.6426 4.6426 5.6371 5.6371 6.1961 6.1961 6.5479 6.5479 8.1690 8.1690 8.2263 8.2263 8.8841 8.8841 9.4617 9.4617 9.7885 9.7885 11.7593 11.7593 12.0588 12.0588 k = 0.0323 0.0559 0.2873 ( 4798 PWs) bands (ev): -62.5825 -62.5825 -34.6500 -34.6500 -33.7252 -33.7252 -33.5978 -33.5978 -5.3179 -5.3179 -4.7034 -4.7034 4.6294 4.6294 5.7007 5.7007 6.1920 6.1920 6.4904 6.4904 8.2278 8.2278 8.2662 8.2662 8.9300 8.9300 9.4361 9.4361 9.7482 9.7482 11.8269 11.8269 12.0941 12.0941 k = 0.0269 0.0466 0.2873 ( 4800 PWs) bands (ev): -62.5827 -62.5827 -34.6499 -34.6499 -33.7250 -33.7250 -33.5979 -33.5979 -5.3294 -5.3294 -4.7111 -4.7111 4.6184 4.6184 5.7639 5.7639 6.1879 6.1879 6.4327 6.4327 8.2757 8.2757 8.2996 8.2996 8.9821 8.9821 9.4116 9.4116 9.7070 9.7070 11.8844 11.8844 12.1278 12.1278 k = 0.0215 0.0372 0.2873 ( 4796 PWs) bands (ev): -62.5824 -62.5824 -34.6497 -34.6497 -33.7247 -33.7247 -33.5978 -33.5978 -5.3388 -5.3388 -4.7174 -4.7174 4.6093 4.6093 5.8265 5.8265 6.1838 6.1838 6.3761 6.3761 8.3146 8.3146 8.3283 8.3283 9.0381 9.0381 9.3884 9.3884 9.6652 9.6652 11.9315 11.9315 12.1602 12.1602 k = 0.0161 0.0279 0.2873 ( 4792 PWs) bands (ev): -62.5821 -62.5821 -34.6496 -34.6496 -33.7245 -33.7245 -33.5978 -33.5978 -5.3462 -5.3462 -4.7223 -4.7223 4.6022 4.6022 5.8878 5.8878 6.1778 6.1778 6.3225 6.3225 8.3442 8.3442 8.3501 8.3501 9.0952 9.0952 9.3663 9.3663 9.6250 9.6250 11.9672 11.9672 12.1891 12.1891 k = 0.0108 0.0186 0.2873 ( 4788 PWs) bands (ev): -62.5817 -62.5817 -34.6495 -34.6495 -33.7243 -33.7243 -33.5977 -33.5977 -5.3514 -5.3514 -4.7258 -4.7258 4.5971 4.5971 5.9455 5.9455 6.1681 6.1681 6.2756 6.2756 8.3642 8.3642 8.3676 8.3676 9.1490 9.1490 9.3443 9.3443 9.5897 9.5897 11.9916 11.9916 12.2124 12.2124 k = 0.0054 0.0093 0.2873 ( 4796 PWs) bands (ev): -62.5824 -62.5824 -34.6495 -34.6495 -33.7244 -33.7244 -33.5978 -33.5978 -5.3546 -5.3546 -4.7279 -4.7279 4.5940 4.5940 5.9947 5.9947 6.1496 6.1496 6.2436 6.2436 8.3729 8.3729 8.3787 8.3787 9.1933 9.1933 9.3218 9.3218 9.5645 9.5645 12.0044 12.0044 12.2263 12.2263 k = 0.0000 0.0000 0.2873 ( 4796 PWs) bands (ev): -62.5824 -62.5824 -34.6495 -34.6495 -33.7243 -33.7243 -33.5978 -33.5978 -5.3557 -5.3557 -4.7286 -4.7286 4.5929 4.5929 6.0182 6.0182 6.1362 6.1362 6.2336 6.2336 8.3758 8.3758 8.3829 8.3829 9.2136 9.2136 9.3100 9.3100 9.5553 9.5553 12.0089 12.0089 12.2315 12.2315 k = 0.5000 0.2887 0.2873 ( 4840 PWs) bands (ev): -62.5830 -62.5830 -34.6673 -34.6673 -33.7534 -33.7534 -33.5987 -33.5987 -3.8297 -3.8297 -3.6363 -3.6363 2.9817 2.9817 3.7379 3.7379 5.7345 5.7345 6.0449 6.0449 7.3854 7.3854 7.8216 7.8216 7.9490 7.9490 9.0372 9.0372 9.4920 9.4920 11.3780 11.3780 11.9882 11.9882 k = 0.5000 0.2887 0.2767 ( 4848 PWs) bands (ev): -62.5836 -62.5836 -34.6674 -34.6674 -33.7534 -33.7534 -33.5989 -33.5989 -3.8296 -3.8296 -3.6364 -3.6364 2.9818 2.9818 3.7400 3.7400 5.7337 5.7337 6.0448 6.0448 7.3791 7.3791 7.8184 7.8184 7.9527 7.9527 9.0371 9.0371 9.4888 9.4888 11.3788 11.3788 11.9855 11.9855 k = 0.5000 0.2887 0.2660 ( 4848 PWs) bands (ev): -62.5836 -62.5836 -34.6674 -34.6674 -33.7534 -33.7534 -33.5989 -33.5989 -3.8295 -3.8295 -3.6368 -3.6368 2.9821 2.9821 3.7462 3.7462 5.7320 5.7320 6.0459 6.0459 7.3606 7.3606 7.8100 7.8100 7.9661 7.9661 9.0371 9.0371 9.4894 9.4894 11.3842 11.3842 11.9792 11.9792 k = 0.5000 0.2887 0.2554 ( 4854 PWs) bands (ev): -62.5841 -62.5841 -34.6674 -34.6674 -33.7534 -33.7534 -33.5990 -33.5990 -3.8293 -3.8293 -3.6374 -3.6374 2.9827 2.9827 3.7564 3.7564 5.7288 5.7288 6.0474 6.0474 7.3309 7.3309 7.7983 7.7983 7.9839 7.9839 9.0367 9.0367 9.4899 9.4899 11.3921 11.3921 11.9667 11.9667 k = 0.5000 0.2887 0.2448 ( 4854 PWs) bands (ev): -62.5841 -62.5841 -34.6674 -34.6674 -33.7534 -33.7534 -33.5990 -33.5990 -3.8291 -3.8291 -3.6383 -3.6383 2.9836 2.9836 3.7705 3.7705 5.7249 5.7249 6.0501 6.0501 7.2918 7.2918 7.7848 7.7848 8.0057 8.0057 9.0368 9.0368 9.4913 9.4913 11.4043 11.4043 11.9514 11.9514 k = 0.5000 0.2887 0.2341 ( 4858 PWs) bands (ev): -62.5844 -62.5844 -34.6675 -34.6675 -33.7535 -33.7535 -33.5991 -33.5991 -3.8287 -3.8287 -3.6394 -3.6394 2.9848 2.9848 3.7885 3.7885 5.7198 5.7198 6.0529 6.0529 7.2446 7.2446 7.7699 7.7699 8.0284 8.0284 9.0365 9.0365 9.4926 9.4926 11.4181 11.4181 11.9310 11.9310 k = 0.5000 0.2887 0.2235 ( 4866 PWs) bands (ev): -62.5850 -62.5850 -34.6676 -34.6676 -33.7536 -33.7536 -33.5992 -33.5992 -3.8283 -3.8283 -3.6408 -3.6408 2.9863 2.9863 3.8101 3.8101 5.7135 5.7135 6.0565 6.0565 7.1907 7.1907 7.7537 7.7537 8.0504 8.0504 9.0360 9.0360 9.4931 9.4931 11.4352 11.4352 11.9043 11.9043 k = 0.5000 0.2887 0.2128 ( 4844 PWs) bands (ev): -62.5832 -62.5832 -34.6673 -34.6673 -33.7534 -33.7534 -33.5987 -33.5987 -3.8278 -3.8278 -3.6423 -3.6423 2.9884 2.9884 3.8352 3.8352 5.7077 5.7077 6.0628 6.0628 7.1318 7.1318 7.7366 7.7366 8.0763 8.0763 9.0376 9.0376 9.4991 9.4991 11.4589 11.4589 11.8795 11.8795 k = 0.5000 0.2887 0.2022 ( 4840 PWs) bands (ev): -62.5829 -62.5829 -34.6673 -34.6673 -33.7533 -33.7533 -33.5987 -33.5987 -3.8272 -3.8272 -3.6441 -3.6441 2.9909 2.9909 3.8634 3.8634 5.7003 5.7003 6.0689 6.0689 7.0684 7.0684 7.7182 7.7182 8.0977 8.0977 9.0378 9.0378 9.5018 9.5018 11.4830 11.4830 11.8462 11.8462 k = 0.5000 0.2887 0.1915 ( 4844 PWs) bands (ev): -62.5832 -62.5832 -34.6673 -34.6673 -33.7534 -33.7534 -33.5987 -33.5987 -3.8266 -3.8266 -3.6460 -3.6460 2.9938 2.9938 3.8947 3.8947 5.6918 5.6918 6.0747 6.0747 7.0013 7.0013 7.6989 7.6989 8.1171 8.1171 9.0364 9.0364 9.5043 9.5043 11.5069 11.5069 11.8085 11.8085 k = 0.5000 0.2887 0.1809 ( 4842 PWs) bands (ev): -62.5830 -62.5830 -34.6673 -34.6673 -33.7533 -33.7533 -33.5987 -33.5987 -3.8259 -3.8259 -3.6480 -3.6480 2.9973 2.9973 3.9286 3.9286 5.6831 5.6831 6.0814 6.0814 6.9314 6.9314 7.6786 7.6786 8.1355 8.1355 9.0383 9.0383 9.5067 9.5067 11.5319 11.5319 11.7694 11.7694 k = 0.5000 0.2887 0.1703 ( 4830 PWs) bands (ev): -62.5821 -62.5821 -34.6672 -34.6672 -33.7533 -33.7533 -33.5984 -33.5984 -3.8251 -3.8251 -3.6502 -3.6502 3.0011 3.0011 3.9650 3.9650 5.6742 5.6742 6.0898 6.0898 6.8593 6.8593 7.6577 7.6577 8.1538 8.1538 9.0405 9.0405 9.5112 9.5112 11.5585 11.5585 11.7313 11.7313 k = 0.5000 0.2887 0.1596 ( 4830 PWs) bands (ev): -62.5821 -62.5821 -34.6672 -34.6672 -33.7533 -33.7533 -33.5984 -33.5984 -3.8243 -3.8243 -3.6525 -3.6525 3.0054 3.0054 4.0035 4.0035 5.6650 5.6650 6.0976 6.0976 6.7856 6.7856 7.6363 7.6363 8.1688 8.1688 9.0406 9.0406 9.5136 9.5136 11.5772 11.5772 11.6971 11.6971 k = 0.5000 0.2887 0.1490 ( 4832 PWs) bands (ev): -62.5822 -62.5822 -34.6672 -34.6672 -33.7532 -33.7532 -33.5985 -33.5985 -3.8235 -3.8235 -3.6549 -3.6549 3.0103 3.0103 4.0439 4.0439 5.6558 5.6558 6.1052 6.1052 6.7106 6.7106 7.6145 7.6145 8.1815 8.1815 9.0411 9.0411 9.5160 9.5160 11.5770 11.5770 11.6807 11.6807 k = 0.5000 0.2887 0.1383 ( 4828 PWs) bands (ev): -62.5819 -62.5819 -34.6671 -34.6671 -33.7532 -33.7532 -33.5985 -33.5985 -3.8226 -3.8226 -3.6573 -3.6573 3.0153 3.0153 4.0856 4.0856 5.6472 5.6472 6.1139 6.1139 6.6351 6.6351 7.5928 7.5928 8.1938 8.1938 9.0425 9.0425 9.5183 9.5183 11.5526 11.5526 11.6915 11.6915 k = 0.5000 0.2887 0.1277 ( 4838 PWs) bands (ev): -62.5827 -62.5827 -34.6673 -34.6673 -33.7533 -33.7533 -33.5986 -33.5986 -3.8217 -3.8217 -3.6598 -3.6598 3.0204 3.0204 4.1283 4.1283 5.6387 5.6387 6.1221 6.1221 6.5591 6.5591 7.5712 7.5712 8.2028 8.2028 9.0425 9.0425 9.5180 9.5180 11.5131 11.5131 11.7140 11.7140 k = 0.5000 0.2887 0.1171 ( 4842 PWs) bands (ev): -62.5830 -62.5830 -34.6673 -34.6673 -33.7533 -33.7533 -33.5987 -33.5987 -3.8208 -3.8208 -3.6622 -3.6622 3.0258 3.0258 4.1715 4.1715 5.6316 5.6316 6.1306 6.1306 6.4835 6.4835 7.5501 7.5501 8.2108 8.2108 9.0425 9.0425 9.5197 9.5197 11.4716 11.4716 11.7411 11.7411 k = 0.5000 0.2887 0.1064 ( 4840 PWs) bands (ev): -62.5829 -62.5829 -34.6673 -34.6673 -33.7533 -33.7533 -33.5987 -33.5987 -3.8199 -3.8199 -3.6646 -3.6646 3.0313 3.0313 4.2148 4.2148 5.6265 5.6265 6.1390 6.1390 6.4091 6.4091 7.5297 7.5297 8.2191 8.2191 9.0427 9.0427 9.5215 9.5215 11.4323 11.4323 11.7693 11.7693 k = 0.5000 0.2887 0.0958 ( 4846 PWs) bands (ev): -62.5833 -62.5833 -34.6673 -34.6673 -33.7534 -33.7534 -33.5988 -33.5988 -3.8190 -3.8190 -3.6669 -3.6669 3.0367 3.0367 4.2576 4.2576 5.6228 5.6228 6.1460 6.1460 6.3359 6.3359 7.5102 7.5102 8.2254 8.2254 9.0421 9.0421 9.5229 9.5229 11.3934 11.3934 11.7951 11.7951 k = 0.5000 0.2887 0.0851 ( 4834 PWs) bands (ev): -62.5824 -62.5824 -34.6672 -34.6672 -33.7532 -33.7532 -33.5986 -33.5986 -3.8181 -3.8181 -3.6690 -3.6690 3.0421 3.0421 4.2991 4.2991 5.6219 5.6219 6.1534 6.1534 6.2655 6.2655 7.4920 7.4920 8.2328 8.2328 9.0445 9.0445 9.5259 9.5259 11.3603 11.3603 11.8226 11.8226 k = 0.5000 0.2887 0.0745 ( 4838 PWs) bands (ev): -62.5827 -62.5827 -34.6673 -34.6673 -33.7533 -33.7533 -33.5987 -33.5987 -3.8172 -3.8172 -3.6710 -3.6710 3.0471 3.0471 4.3387 4.3387 5.6231 5.6231 6.1547 6.1547 6.2018 6.2018 7.4753 7.4753 8.2371 8.2371 9.0430 9.0430 9.5271 9.5271 11.3279 11.3279 11.8467 11.8467 k = 0.5000 0.2887 0.0638 ( 4832 PWs) bands (ev): -62.5822 -62.5822 -34.6672 -34.6672 -33.7532 -33.7532 -33.5985 -33.5985 -3.8164 -3.8164 -3.6729 -3.6729 3.0517 3.0517 4.3756 4.3756 5.6276 5.6276 6.1190 6.1190 6.1783 6.1783 7.4602 7.4602 8.2419 8.2419 9.0437 9.0437 9.5298 9.5298 11.3002 11.3002 11.8699 11.8699 k = 0.5000 0.2887 0.0532 ( 4822 PWs) bands (ev): -62.5814 -62.5814 -34.6671 -34.6671 -33.7531 -33.7531 -33.5983 -33.5983 -3.8158 -3.8158 -3.6745 -3.6745 3.0559 3.0559 4.4089 4.4089 5.6355 5.6355 6.0596 6.0596 6.1822 6.1822 7.4471 7.4471 8.2460 8.2460 9.0461 9.0461 9.5313 9.5313 11.2768 11.2768 11.8922 11.8922 k = 0.5000 0.2887 0.0426 ( 4836 PWs) bands (ev): -62.5826 -62.5826 -34.6673 -34.6673 -33.7533 -33.7533 -33.5985 -33.5985 -3.8152 -3.8152 -3.6759 -3.6759 3.0592 3.0592 4.4377 4.4377 5.6464 5.6464 6.0020 6.0020 6.1853 6.1853 7.4360 7.4360 8.2466 8.2466 9.0441 9.0441 9.5311 9.5311 11.2538 11.2538 11.9063 11.9063 k = 0.5000 0.2887 0.0319 ( 4836 PWs) bands (ev): -62.5826 -62.5826 -34.6673 -34.6673 -33.7533 -33.7533 -33.5985 -33.5985 -3.8147 -3.8147 -3.6770 -3.6770 3.0620 3.0620 4.4612 4.4612 5.6609 5.6609 5.9501 5.9501 6.1891 6.1891 7.4272 7.4272 8.2485 8.2485 9.0441 9.0441 9.5316 9.5316 11.2380 11.2380 11.9193 11.9193 k = 0.5000 0.2887 0.0213 ( 4832 PWs) bands (ev): -62.5823 -62.5823 -34.6672 -34.6672 -33.7532 -33.7532 -33.5986 -33.5986 -3.8143 -3.8143 -3.6778 -3.6778 3.0641 3.0641 4.4786 4.4786 5.6778 5.6778 5.9064 5.9064 6.1913 6.1913 7.4208 7.4208 8.2510 8.2510 9.0464 9.0464 9.5318 9.5318 11.2276 11.2276 11.9273 11.9273 k = 0.5000 0.2887 0.0106 ( 4826 PWs) bands (ev): -62.5818 -62.5818 -34.6671 -34.6671 -33.7531 -33.7531 -33.5985 -33.5985 -3.8141 -3.8141 -3.6782 -3.6782 3.0655 3.0655 4.4893 4.4893 5.6925 5.6925 5.8749 5.8749 6.1940 6.1940 7.4170 7.4170 8.2522 8.2522 9.0472 9.0472 9.5324 9.5324 11.2218 11.2218 11.9347 11.9347 k = 0.5000 0.2887-0.0000 ( 4822 PWs) bands (ev): -62.5815 -62.5815 -34.6671 -34.6671 -33.7531 -33.7531 -33.5984 -33.5984 -3.8140 -3.8140 -3.6784 -3.6784 3.0659 3.0659 4.4929 4.4929 5.6989 5.6989 5.8629 5.8629 6.1951 6.1951 7.4157 7.4157 8.2528 8.2528 9.0474 9.0474 9.5337 9.5337 11.2197 11.2197 11.9376 11.9376 k = 0.3333 0.5774-0.0000 ( 4869 PWs) bands (ev): -62.5853 -62.5853 -34.6696 -34.6696 -33.7570 -33.7570 -33.5996 -33.5996 -3.5566 -3.5566 -3.5517 -3.5517 3.9955 3.9955 4.3383 4.3383 4.4876 4.4876 5.9028 5.9028 5.9595 5.9595 6.0871 6.0871 9.0429 9.0429 9.4706 9.4706 9.5339 9.5339 10.5625 10.5625 10.5723 10.5723 k = 0.3333 0.5774 0.0106 ( 4869 PWs) bands (ev): -62.5853 -62.5853 -34.6696 -34.6696 -33.7570 -33.7570 -33.5996 -33.5996 -3.5566 -3.5566 -3.5517 -3.5517 3.9965 3.9965 4.3370 4.3370 4.4861 4.4861 5.9036 5.9036 5.9613 5.9613 6.0863 6.0863 9.0429 9.0429 9.4689 9.4689 9.5322 9.5322 10.5656 10.5656 10.5756 10.5756 k = 0.3333 0.5774 0.0213 ( 4875 PWs) bands (ev): -62.5857 -62.5857 -34.6697 -34.6697 -33.7571 -33.7571 -33.5998 -33.5998 -3.5565 -3.5565 -3.5516 -3.5516 3.9995 3.9995 4.3328 4.3328 4.4814 4.4814 5.9056 5.9056 5.9665 5.9665 6.0841 6.0841 9.0407 9.0407 9.4637 9.4637 9.5267 9.5267 10.5739 10.5739 10.5842 10.5842 k = 0.3333 0.5774 0.0319 ( 4875 PWs) bands (ev): -62.5857 -62.5857 -34.6697 -34.6697 -33.7571 -33.7571 -33.5998 -33.5998 -3.5564 -3.5564 -3.5515 -3.5515 4.0044 4.0044 4.3263 4.3263 4.4741 4.4741 5.9081 5.9081 5.9752 5.9752 6.0811 6.0811 9.0408 9.0408 9.4556 9.4556 9.5183 9.5183 10.5892 10.5892 10.6001 10.6001 k = 0.3333 0.5774 0.0426 ( 4848 PWs) bands (ev): -62.5835 -62.5835 -34.6693 -34.6693 -33.7566 -33.7566 -33.5994 -33.5994 -3.5562 -3.5562 -3.5513 -3.5513 4.0114 4.0114 4.3179 4.3179 4.4647 4.4647 5.9103 5.9103 5.9882 5.9882 6.0791 6.0791 9.0421 9.0421 9.4492 9.4492 9.5115 9.5115 10.6152 10.6152 10.6268 10.6268 k = 0.3333 0.5774 0.0532 ( 4839 PWs) bands (ev): -62.5828 -62.5828 -34.6692 -34.6692 -33.7566 -33.7566 -33.5992 -33.5992 -3.5560 -3.5560 -3.5511 -3.5511 4.0201 4.0201 4.3069 4.3069 4.4523 4.4523 5.9092 5.9092 6.0032 6.0032 6.0791 6.0791 9.0468 9.0468 9.4362 9.4362 9.4981 9.4981 10.6423 10.6423 10.6549 10.6549 k = 0.3333 0.5774 0.0638 ( 4836 PWs) bands (ev): -62.5826 -62.5826 -34.6692 -34.6692 -33.7565 -33.7565 -33.5992 -33.5992 -3.5557 -3.5557 -3.5508 -3.5508 4.0308 4.0308 4.2937 4.2937 4.4377 4.4377 5.9035 5.9035 6.0210 6.0210 6.0832 6.0832 9.0475 9.0475 9.4214 9.4214 9.4828 9.4828 10.6732 10.6732 10.6868 10.6868 k = 0.3333 0.5774 0.0745 ( 4824 PWs) bands (ev): -62.5817 -62.5817 -34.6691 -34.6691 -33.7564 -33.7564 -33.5990 -33.5990 -3.5554 -3.5554 -3.5505 -3.5505 4.0432 4.0432 4.2792 4.2792 4.4217 4.4217 5.8918 5.8918 6.0414 6.0414 6.0926 6.0926 9.0485 9.0485 9.4054 9.4054 9.4663 9.4663 10.7114 10.7114 10.7260 10.7260 k = 0.3333 0.5774 0.0851 ( 4821 PWs) bands (ev): -62.5814 -62.5814 -34.6690 -34.6690 -33.7563 -33.7563 -33.5990 -33.5990 -3.5551 -3.5551 -3.5502 -3.5502 4.0573 4.0573 4.2632 4.2632 4.4042 4.4042 5.8741 5.8741 6.0636 6.0636 6.1069 6.1069 9.0462 9.0462 9.3877 9.3877 9.4482 9.4482 10.7517 10.7517 10.7675 10.7675 k = 0.3333 0.5774 0.0958 ( 4821 PWs) bands (ev): -62.5814 -62.5814 -34.6690 -34.6690 -33.7563 -33.7563 -33.5990 -33.5990 -3.5547 -3.5547 -3.5498 -3.5498 4.0731 4.0731 4.2461 4.2461 4.3855 4.3855 5.8510 5.8510 6.0871 6.0871 6.1251 6.1251 9.0463 9.0463 9.3684 9.3684 9.4285 9.4285 10.7939 10.7939 10.8110 10.8110 k = 0.3333 0.5774 0.1064 ( 4824 PWs) bands (ev): -62.5817 -62.5817 -34.6690 -34.6690 -33.7563 -33.7563 -33.5991 -33.5991 -3.5543 -3.5543 -3.5495 -3.5495 4.0903 4.0903 4.2281 4.2281 4.3661 4.3661 5.8234 5.8234 6.1118 6.1118 6.1463 6.1463 9.0449 9.0449 9.3485 9.3485 9.4084 9.4084 10.8386 10.8386 10.8569 10.8569 k = 0.3333 0.5774 0.1171 ( 4824 PWs) bands (ev): -62.5816 -62.5816 -34.6690 -34.6690 -33.7563 -33.7563 -33.5991 -33.5991 -3.5539 -3.5539 -3.5491 -3.5491 4.1089 4.1089 4.2098 4.2098 4.3466 4.3466 5.7924 5.7924 6.1372 6.1372 6.1697 6.1697 9.0453 9.0453 9.3290 9.3290 9.3887 9.3887 10.8852 10.8852 10.9048 10.9048 k = 0.3333 0.5774 0.1277 ( 4821 PWs) bands (ev): -62.5814 -62.5814 -34.6690 -34.6690 -33.7563 -33.7563 -33.5990 -33.5990 -3.5535 -3.5535 -3.5486 -3.5486 4.1287 4.1287 4.1913 4.1913 4.3273 4.3273 5.7586 5.7586 6.1632 6.1632 6.1945 6.1945 9.0475 9.0475 9.3090 9.3090 9.3686 9.3686 10.9344 10.9344 10.9554 10.9554 k = 0.3333 0.5774 0.1383 ( 4827 PWs) bands (ev): -62.5819 -62.5819 -34.6691 -34.6691 -33.7563 -33.7563 -33.5992 -33.5992 -3.5531 -3.5531 -3.5482 -3.5482 4.1491 4.1491 4.1727 4.1727 4.3085 4.3085 5.7226 5.7226 6.1891 6.1891 6.2198 6.2198 9.0465 9.0465 9.2890 9.2890 9.3484 9.3484 10.9834 10.9834 11.0057 11.0057 k = 0.3333 0.5774 0.1490 ( 4830 PWs) bands (ev): -62.5821 -62.5821 -34.6691 -34.6691 -33.7564 -33.7564 -33.5992 -33.5992 -3.5527 -3.5527 -3.5478 -3.5478 4.1545 4.1545 4.1696 4.1696 4.2914 4.2914 5.6850 5.6850 6.2150 6.2150 6.2454 6.2454 9.0443 9.0443 9.2698 9.2698 9.3292 9.3292 11.0345 11.0345 11.0581 11.0581 k = 0.3333 0.5774 0.1596 ( 4824 PWs) bands (ev): -62.5816 -62.5816 -34.6690 -34.6690 -33.7563 -33.7563 -33.5991 -33.5991 -3.5523 -3.5523 -3.5474 -3.5474 4.1370 4.1370 4.1886 4.1886 4.2775 4.2775 5.6464 5.6464 6.2405 6.2405 6.2710 6.2710 9.0471 9.0471 9.2516 9.2516 9.3110 9.3110 11.0865 11.0865 11.1116 11.1116 k = 0.3333 0.5774 0.1703 ( 4812 PWs) bands (ev): -62.5806 -62.5806 -34.6689 -34.6689 -33.7562 -33.7562 -33.5989 -33.5989 -3.5518 -3.5518 -3.5470 -3.5470 4.1203 4.1203 4.2022 4.2022 4.2707 4.2707 5.6073 5.6073 6.2655 6.2655 6.2962 6.2962 9.0481 9.0481 9.2360 9.2360 9.2955 9.2955 11.1394 11.1394 11.1658 11.1658 k = 0.3333 0.5774 0.1809 ( 4818 PWs) bands (ev): -62.5811 -62.5811 -34.6690 -34.6690 -33.7563 -33.7563 -33.5990 -33.5990 -3.5514 -3.5514 -3.5466 -3.5466 4.1042 4.1042 4.2044 4.2044 4.2763 4.2763 5.5681 5.5681 6.2887 6.2887 6.3197 6.3197 9.0480 9.0480 9.2183 9.2183 9.2780 9.2780 11.1883 11.1883 11.2161 11.2161 k = 0.3333 0.5774 0.1915 ( 4827 PWs) bands (ev): -62.5818 -62.5818 -34.6691 -34.6691 -33.7563 -33.7563 -33.5993 -33.5993 -3.5511 -3.5511 -3.5462 -3.5462 4.0892 4.0892 4.1972 4.1972 4.2926 4.2926 5.5296 5.5296 6.3105 6.3105 6.3418 6.3418 9.0422 9.0422 9.2029 9.2029 9.2627 9.2627 11.2356 11.2356 11.2648 11.2648 k = 0.3333 0.5774 0.2022 ( 4827 PWs) bands (ev): -62.5818 -62.5818 -34.6691 -34.6691 -33.7563 -33.7563 -33.5992 -33.5992 -3.5507 -3.5507 -3.5458 -3.5458 4.0755 4.0755 4.1866 4.1866 4.3136 4.3136 5.4921 5.4921 6.3310 6.3310 6.3627 6.3627 9.0418 9.0418 9.1885 9.1885 9.2484 9.2484 11.2819 11.2819 11.3125 11.3125 k = 0.3333 0.5774 0.2128 ( 4821 PWs) bands (ev): -62.5813 -62.5813 -34.6690 -34.6690 -33.7563 -33.7563 -33.5991 -33.5991 -3.5504 -3.5504 -3.5455 -3.5455 4.0631 4.0631 4.1755 4.1755 4.3358 4.3358 5.4565 5.4565 6.3496 6.3496 6.3816 6.3816 9.0459 9.0459 9.1758 9.1758 9.2359 9.2359 11.3250 11.3250 11.3570 11.3570 k = 0.3333 0.5774 0.2235 ( 4839 PWs) bands (ev): -62.5827 -62.5827 -34.6692 -34.6692 -33.7564 -33.7564 -33.5994 -33.5994 -3.5501 -3.5501 -3.5452 -3.5452 4.0520 4.0520 4.1648 4.1648 4.3575 4.3575 5.4233 5.4233 6.3653 6.3653 6.3976 6.3976 9.0413 9.0413 9.1624 9.1624 9.2227 9.2227 11.3618 11.3618 11.3950 11.3950 k = 0.3333 0.5774 0.2341 ( 4839 PWs) bands (ev): -62.5827 -62.5827 -34.6692 -34.6692 -33.7564 -33.7564 -33.5994 -33.5994 -3.5499 -3.5499 -3.5450 -3.5450 4.0426 4.0426 4.1556 4.1556 4.3779 4.3779 5.3932 5.3932 6.3795 6.3795 6.4121 6.4121 9.0412 9.0412 9.1527 9.1527 9.2132 9.2132 11.3964 11.3964 11.4307 11.4307 k = 0.3333 0.5774 0.2448 ( 4839 PWs) bands (ev): -62.5827 -62.5827 -34.6692 -34.6692 -33.7564 -33.7564 -33.5994 -33.5994 -3.5496 -3.5496 -3.5448 -3.5448 4.0348 4.0348 4.1478 4.1478 4.3961 4.3961 5.3671 5.3671 6.3913 6.3913 6.4241 6.4241 9.0412 9.0412 9.1446 9.1446 9.2053 9.2053 11.4258 11.4258 11.4612 11.4612 k = 0.3333 0.5774 0.2554 ( 4827 PWs) bands (ev): -62.5818 -62.5818 -34.6691 -34.6691 -33.7563 -33.7563 -33.5992 -33.5992 -3.5495 -3.5495 -3.5446 -3.5446 4.0289 4.0289 4.1418 4.1418 4.4114 4.4114 5.3458 5.3458 6.4014 6.4014 6.4344 6.4344 9.0420 9.0420 9.1399 9.1399 9.2007 9.2007 11.4517 11.4517 11.4879 11.4879 k = 0.3333 0.5774 0.2660 ( 4827 PWs) bands (ev): -62.5818 -62.5818 -34.6691 -34.6691 -33.7563 -33.7563 -33.5992 -33.5992 -3.5493 -3.5493 -3.5445 -3.5445 4.0245 4.0245 4.1374 4.1374 4.4228 4.4228 5.3299 5.3299 6.4083 6.4083 6.4415 6.4415 9.0401 9.0401 9.1356 9.1356 9.1965 9.1965 11.4696 11.4696 11.5063 11.5063 k = 0.3333 0.5774 0.2767 ( 4827 PWs) bands (ev): -62.5818 -62.5818 -34.6690 -34.6690 -33.7562 -33.7562 -33.5993 -33.5993 -3.5493 -3.5493 -3.5444 -3.5444 4.0218 4.0218 4.1347 4.1347 4.4300 4.4300 5.3201 5.3201 6.4124 6.4124 6.4457 6.4457 9.0384 9.0384 9.1337 9.1337 9.1945 9.1945 11.4800 11.4800 11.5172 11.5172 k = 0.3333 0.5774 0.2873 ( 4830 PWs) bands (ev): -62.5820 -62.5820 -34.6691 -34.6691 -33.7563 -33.7563 -33.5993 -33.5993 -3.5492 -3.5492 -3.5444 -3.5444 4.0209 4.0209 4.1337 4.1337 4.4325 4.4325 5.3168 5.3168 6.4136 6.4136 6.4468 6.4468 9.0384 9.0384 9.1323 9.1323 9.1932 9.1932 11.4829 11.4829 11.5202 11.5202 Writing output data file CrSe2.save init_run : 0.08s CPU 0.27s WALL ( 1 calls) electrons : 62.68s CPU 64.62s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 62.68s CPU 64.61s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.05s WALL ( 384 calls) cegterg : 55.49s CPU 56.46s WALL ( 384 calls) Called by sum_band: Called by *egterg: h_psi : 37.02s CPU 38.24s WALL ( 4190 calls) s_psi : 0.63s CPU 0.60s WALL ( 4190 calls) g_psi : 0.08s CPU 0.13s WALL ( 3422 calls) cdiaghg : 16.52s CPU 16.39s WALL ( 3806 calls) cegterg:over : 2.56s CPU 2.40s WALL ( 3422 calls) cegterg:upda : 1.74s CPU 1.96s WALL ( 3422 calls) cegterg:last : 1.22s CPU 1.29s WALL ( 976 calls) cdiaghg:chol : 0.94s CPU 0.94s WALL ( 3806 calls) cdiaghg:inve : 0.52s CPU 0.51s WALL ( 3806 calls) cdiaghg:para : 0.87s CPU 0.93s WALL ( 7612 calls) Called by h_psi: h_psi:vloc : 34.37s CPU 35.41s WALL ( 4190 calls) h_psi:vnl : 2.56s CPU 2.72s WALL ( 4190 calls) add_vuspsi : 1.16s CPU 1.29s WALL ( 4190 calls) General routines calbec : 1.38s CPU 1.42s WALL ( 4190 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 32.54s CPU 33.53s WALL ( 424428 calls) davcio : 0.16s CPU 0.22s WALL ( 768 calls) Parallel routines fft_scatter : 12.70s CPU 12.78s WALL ( 424443 calls) PWSCF : 1m15.81s CPU 1m41.18s WALL This run was terminated on: 17:37:18 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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