Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:36:51 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: ./LiVS2.save/ file V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3P 3P 3D 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 50 32 9 3156 1604 240 Max 51 33 11 3161 1621 249 Sum 1813 1159 337 113649 57969 8825 bravais-lattice index = 14 lattice parameter (alat) = 6.3878 a.u. unit-cell volume = 409.8940 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 646.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.387841 celldm(2)= 1.000000 celldm(3)= 1.815845 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 1.815845 ) 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 0.550708 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for V read from file: /users/gautes/Pseudo/V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 97c593a54d8a0043da5648c660d67431 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1181 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Li 3.00 6.94100 Li( 1.00) V 13.00 50.94150 V( 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= 381 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 2) = ( 0.0092593 0.0053458 -0.0000000), wk = 0.0026247 k( 3) = ( 0.0185185 0.0106917 -0.0000000), wk = 0.0026247 k( 4) = ( 0.0277778 0.0160375 -0.0000000), wk = 0.0026247 k( 5) = ( 0.0370370 0.0213833 -0.0000000), wk = 0.0026247 k( 6) = ( 0.0462963 0.0267292 -0.0000000), wk = 0.0026247 k( 7) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0026247 k( 8) = ( 0.0648148 0.0374208 -0.0000000), wk = 0.0026247 k( 9) = ( 0.0740741 0.0427667 -0.0000000), wk = 0.0026247 k( 10) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0026247 k( 11) = ( 0.0925926 0.0534584 -0.0000000), wk = 0.0026247 k( 12) = ( 0.1018518 0.0588042 -0.0000000), wk = 0.0026247 k( 13) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0026247 k( 14) = ( 0.1203704 0.0694959 -0.0000000), wk = 0.0026247 k( 15) = ( 0.1296296 0.0748417 -0.0000000), wk = 0.0026247 k( 16) = ( 0.1388889 0.0801875 -0.0000000), wk = 0.0026247 k( 17) = ( 0.1481482 0.0855334 -0.0000000), wk = 0.0026247 k( 18) = ( 0.1574074 0.0908792 -0.0000000), wk = 0.0026247 k( 19) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0026247 k( 20) = ( 0.1759259 0.1015709 -0.0000000), wk = 0.0026247 k( 21) = ( 0.1851852 0.1069167 -0.0000000), wk = 0.0026247 k( 22) = ( 0.1944444 0.1122625 -0.0000000), wk = 0.0026247 k( 23) = ( 0.2037037 0.1176084 -0.0000000), wk = 0.0026247 k( 24) = ( 0.2129630 0.1229542 -0.0000000), wk = 0.0026247 k( 25) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0026247 k( 26) = ( 0.2314815 0.1336459 -0.0000000), wk = 0.0026247 k( 27) = ( 0.2407407 0.1389917 -0.0000000), wk = 0.0026247 k( 28) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0026247 k( 29) = ( 0.2592593 0.1496834 -0.0000000), wk = 0.0026247 k( 30) = ( 0.2685185 0.1550292 -0.0000000), wk = 0.0026247 k( 31) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0026247 k( 32) = ( 0.2870370 0.1657209 -0.0000000), wk = 0.0026247 k( 33) = ( 0.2962963 0.1710667 -0.0000000), wk = 0.0026247 k( 34) = ( 0.3055556 0.1764126 -0.0000000), wk = 0.0026247 k( 35) = ( 0.3148148 0.1817584 -0.0000000), wk = 0.0026247 k( 36) = ( 0.3240741 0.1871043 -0.0000000), wk = 0.0026247 k( 37) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0026247 k( 38) = ( 0.3425926 0.1977959 -0.0000000), wk = 0.0026247 k( 39) = ( 0.3518519 0.2031418 -0.0000000), wk = 0.0026247 k( 40) = ( 0.3611111 0.2084876 -0.0000000), wk = 0.0026247 k( 41) = ( 0.3703704 0.2138334 -0.0000000), wk = 0.0026247 k( 42) = ( 0.3796296 0.2191793 -0.0000000), wk = 0.0026247 k( 43) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0026247 k( 44) = ( 0.3981481 0.2298709 -0.0000000), wk = 0.0026247 k( 45) = ( 0.4074074 0.2352168 -0.0000000), wk = 0.0026247 k( 46) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0026247 k( 47) = ( 0.4259259 0.2459085 -0.0000000), wk = 0.0026247 k( 48) = ( 0.4351852 0.2512543 -0.0000000), wk = 0.0026247 k( 49) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0026247 k( 50) = ( 0.4537037 0.2619460 -0.0000000), wk = 0.0026247 k( 51) = ( 0.4629630 0.2672918 -0.0000000), wk = 0.0026247 k( 52) = ( 0.4722222 0.2726376 -0.0000000), wk = 0.0026247 k( 53) = ( 0.4814815 0.2779835 -0.0000000), wk = 0.0026247 k( 54) = ( 0.4907407 0.2833293 -0.0000000), wk = 0.0026247 k( 55) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026247 k( 56) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026247 k( 57) = ( 0.4946237 0.2979872 -0.0000000), wk = 0.0026247 k( 58) = ( 0.4892473 0.3072993 -0.0000000), wk = 0.0026247 k( 59) = ( 0.4838710 0.3166114 -0.0000000), wk = 0.0026247 k( 60) = ( 0.4784946 0.3259235 -0.0000000), wk = 0.0026247 k( 61) = ( 0.4731183 0.3352356 -0.0000000), wk = 0.0026247 k( 62) = ( 0.4677419 0.3445477 -0.0000000), wk = 0.0026247 k( 63) = ( 0.4623656 0.3538598 -0.0000000), wk = 0.0026247 k( 64) = ( 0.4569893 0.3631720 -0.0000000), wk = 0.0026247 k( 65) = ( 0.4516129 0.3724840 -0.0000000), wk = 0.0026247 k( 66) = ( 0.4462366 0.3817961 -0.0000000), wk = 0.0026247 k( 67) = ( 0.4408602 0.3911082 -0.0000000), wk = 0.0026247 k( 68) = ( 0.4354839 0.4004203 -0.0000000), wk = 0.0026247 k( 69) = ( 0.4301075 0.4097325 -0.0000000), wk = 0.0026247 k( 70) = ( 0.4247312 0.4190445 -0.0000000), wk = 0.0026247 k( 71) = ( 0.4193548 0.4283566 -0.0000000), wk = 0.0026247 k( 72) = ( 0.4139785 0.4376687 -0.0000000), wk = 0.0026247 k( 73) = ( 0.4086021 0.4469809 -0.0000000), wk = 0.0026247 k( 74) = ( 0.4032258 0.4562930 -0.0000000), wk = 0.0026247 k( 75) = ( 0.3978495 0.4656051 -0.0000000), wk = 0.0026247 k( 76) = ( 0.3924731 0.4749172 -0.0000000), wk = 0.0026247 k( 77) = ( 0.3870968 0.4842293 -0.0000000), wk = 0.0026247 k( 78) = ( 0.3817204 0.4935414 -0.0000000), wk = 0.0026247 k( 79) = ( 0.3763441 0.5028535 -0.0000000), wk = 0.0026247 k( 80) = ( 0.3709677 0.5121656 -0.0000000), wk = 0.0026247 k( 81) = ( 0.3655914 0.5214777 -0.0000000), wk = 0.0026247 k( 82) = ( 0.3602150 0.5307898 -0.0000000), wk = 0.0026247 k( 83) = ( 0.3548387 0.5401019 -0.0000000), wk = 0.0026247 k( 84) = ( 0.3494624 0.5494140 -0.0000000), wk = 0.0026247 k( 85) = ( 0.3440860 0.5587261 -0.0000000), wk = 0.0026247 k( 86) = ( 0.3387097 0.5680382 -0.0000000), wk = 0.0026247 k( 87) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026247 k( 88) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026247 k( 89) = ( 0.3279570 0.5680382 -0.0000000), wk = 0.0026247 k( 90) = ( 0.3225807 0.5587261 -0.0000000), wk = 0.0026247 k( 91) = ( 0.3172043 0.5494140 -0.0000000), wk = 0.0026247 k( 92) = ( 0.3118280 0.5401019 -0.0000000), wk = 0.0026247 k( 93) = ( 0.3064516 0.5307898 -0.0000000), wk = 0.0026247 k( 94) = ( 0.3010753 0.5214777 -0.0000000), wk = 0.0026247 k( 95) = ( 0.2956989 0.5121656 -0.0000000), wk = 0.0026247 k( 96) = ( 0.2903226 0.5028535 -0.0000000), wk = 0.0026247 k( 97) = ( 0.2849462 0.4935414 -0.0000000), wk = 0.0026247 k( 98) = ( 0.2795699 0.4842293 -0.0000000), wk = 0.0026247 k( 99) = ( 0.2741936 0.4749172 -0.0000000), wk = 0.0026247 k( 100) = ( 0.2688172 0.4656050 -0.0000000), wk = 0.0026247 k( 101) = ( 0.2634409 0.4562930 -0.0000000), wk = 0.0026247 k( 102) = ( 0.2580645 0.4469809 -0.0000000), wk = 0.0026247 k( 103) = ( 0.2526882 0.4376687 -0.0000000), wk = 0.0026247 k( 104) = ( 0.2473118 0.4283567 -0.0000000), wk = 0.0026247 k( 105) = ( 0.2419355 0.4190445 -0.0000000), wk = 0.0026247 k( 106) = ( 0.2365591 0.4097324 -0.0000000), wk = 0.0026247 k( 107) = ( 0.2311828 0.4004204 -0.0000000), wk = 0.0026247 k( 108) = ( 0.2258064 0.3911082 -0.0000000), wk = 0.0026247 k( 109) = ( 0.2204301 0.3817962 -0.0000000), wk = 0.0026247 k( 110) = ( 0.2150538 0.3724840 -0.0000000), wk = 0.0026247 k( 111) = ( 0.2096774 0.3631719 -0.0000000), wk = 0.0026247 k( 112) = ( 0.2043011 0.3538599 -0.0000000), wk = 0.0026247 k( 113) = ( 0.1989247 0.3445477 -0.0000000), wk = 0.0026247 k( 114) = ( 0.1935484 0.3352356 -0.0000000), wk = 0.0026247 k( 115) = ( 0.1881720 0.3259235 -0.0000000), wk = 0.0026247 k( 116) = ( 0.1827957 0.3166114 -0.0000000), wk = 0.0026247 k( 117) = ( 0.1774194 0.3072993 -0.0000000), wk = 0.0026247 k( 118) = ( 0.1720430 0.2979872 -0.0000000), wk = 0.0026247 k( 119) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0026247 k( 120) = ( 0.1612903 0.2793630 -0.0000000), wk = 0.0026247 k( 121) = ( 0.1559140 0.2700509 -0.0000000), wk = 0.0026247 k( 122) = ( 0.1505376 0.2607388 -0.0000000), wk = 0.0026247 k( 123) = ( 0.1451613 0.2514267 -0.0000000), wk = 0.0026247 k( 124) = ( 0.1397849 0.2421146 -0.0000000), wk = 0.0026247 k( 125) = ( 0.1344086 0.2328025 -0.0000000), wk = 0.0026247 k( 126) = ( 0.1290323 0.2234904 -0.0000000), wk = 0.0026247 k( 127) = ( 0.1236559 0.2141783 -0.0000000), wk = 0.0026247 k( 128) = ( 0.1182796 0.2048662 -0.0000000), wk = 0.0026247 k( 129) = ( 0.1129032 0.1955541 -0.0000000), wk = 0.0026247 k( 130) = ( 0.1075269 0.1862420 -0.0000000), wk = 0.0026247 k( 131) = ( 0.1021505 0.1769299 -0.0000000), wk = 0.0026247 k( 132) = ( 0.0967742 0.1676178 -0.0000000), wk = 0.0026247 k( 133) = ( 0.0913979 0.1583057 -0.0000000), wk = 0.0026247 k( 134) = ( 0.0860215 0.1489936 -0.0000000), wk = 0.0026247 k( 135) = ( 0.0806452 0.1396815 -0.0000000), wk = 0.0026247 k( 136) = ( 0.0752688 0.1303694 -0.0000000), wk = 0.0026247 k( 137) = ( 0.0698925 0.1210573 -0.0000000), wk = 0.0026247 k( 138) = ( 0.0645161 0.1117452 -0.0000000), wk = 0.0026247 k( 139) = ( 0.0591398 0.1024331 -0.0000000), wk = 0.0026247 k( 140) = ( 0.0537634 0.0931210 -0.0000000), wk = 0.0026247 k( 141) = ( 0.0483871 0.0838089 -0.0000000), wk = 0.0026247 k( 142) = ( 0.0430108 0.0744968 -0.0000000), wk = 0.0026247 k( 143) = ( 0.0376344 0.0651847 -0.0000000), wk = 0.0026247 k( 144) = ( 0.0322581 0.0558726 -0.0000000), wk = 0.0026247 k( 145) = ( 0.0268817 0.0465605 -0.0000000), wk = 0.0026247 k( 146) = ( 0.0215054 0.0372484 -0.0000000), wk = 0.0026247 k( 147) = ( 0.0161290 0.0279363 -0.0000000), wk = 0.0026247 k( 148) = ( 0.0107527 0.0186242 -0.0000000), wk = 0.0026247 k( 149) = ( 0.0053763 0.0093121 -0.0000000), wk = 0.0026247 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 152) = ( 0.0000000 0.0000000 0.0105905), wk = 0.0026247 k( 153) = ( 0.0000000 0.0000000 0.0211811), wk = 0.0026247 k( 154) = ( 0.0000000 0.0000000 0.0317716), wk = 0.0026247 k( 155) = ( 0.0000000 0.0000000 0.0423621), wk = 0.0026247 k( 156) = ( 0.0000000 0.0000000 0.0529527), wk = 0.0026247 k( 157) = ( 0.0000000 0.0000000 0.0635432), wk = 0.0026247 k( 158) = ( 0.0000000 0.0000000 0.0741337), wk = 0.0026247 k( 159) = ( 0.0000000 0.0000000 0.0847243), wk = 0.0026247 k( 160) = ( 0.0000000 0.0000000 0.0953148), wk = 0.0026247 k( 161) = ( 0.0000000 0.0000000 0.1059054), wk = 0.0026247 k( 162) = ( 0.0000000 0.0000000 0.1164959), wk = 0.0026247 k( 163) = ( 0.0000000 0.0000000 0.1270864), wk = 0.0026247 k( 164) = ( 0.0000000 0.0000000 0.1376770), wk = 0.0026247 k( 165) = ( 0.0000000 0.0000000 0.1482675), wk = 0.0026247 k( 166) = ( 0.0000000 0.0000000 0.1588580), wk = 0.0026247 k( 167) = ( 0.0000000 0.0000000 0.1694486), wk = 0.0026247 k( 168) = ( 0.0000000 0.0000000 0.1800391), wk = 0.0026247 k( 169) = ( 0.0000000 0.0000000 0.1906297), wk = 0.0026247 k( 170) = ( 0.0000000 0.0000000 0.2012202), wk = 0.0026247 k( 171) = ( 0.0000000 0.0000000 0.2118107), wk = 0.0026247 k( 172) = ( 0.0000000 0.0000000 0.2224013), wk = 0.0026247 k( 173) = ( 0.0000000 0.0000000 0.2329918), wk = 0.0026247 k( 174) = ( 0.0000000 0.0000000 0.2435823), wk = 0.0026247 k( 175) = ( 0.0000000 0.0000000 0.2541729), wk = 0.0026247 k( 176) = ( 0.0000000 0.0000000 0.2647634), wk = 0.0026247 k( 177) = ( 0.0000000 0.0000000 0.2753539), wk = 0.0026247 k( 178) = ( 0.0000000 0.0000000 0.2753539), wk = 0.0026247 k( 179) = ( 0.0092593 0.0053458 0.2753539), wk = 0.0026247 k( 180) = ( 0.0185185 0.0106917 0.2753539), wk = 0.0026247 k( 181) = ( 0.0277778 0.0160375 0.2753539), wk = 0.0026247 k( 182) = ( 0.0370370 0.0213833 0.2753539), wk = 0.0026247 k( 183) = ( 0.0462963 0.0267292 0.2753539), wk = 0.0026247 k( 184) = ( 0.0555556 0.0320750 0.2753539), wk = 0.0026247 k( 185) = ( 0.0648148 0.0374208 0.2753539), wk = 0.0026247 k( 186) = ( 0.0740741 0.0427667 0.2753539), wk = 0.0026247 k( 187) = ( 0.0833333 0.0481125 0.2753539), wk = 0.0026247 k( 188) = ( 0.0925926 0.0534584 0.2753539), wk = 0.0026247 k( 189) = ( 0.1018518 0.0588042 0.2753539), wk = 0.0026247 k( 190) = ( 0.1111111 0.0641500 0.2753539), wk = 0.0026247 k( 191) = ( 0.1203704 0.0694959 0.2753539), wk = 0.0026247 k( 192) = ( 0.1296296 0.0748417 0.2753539), wk = 0.0026247 k( 193) = ( 0.1388889 0.0801875 0.2753539), wk = 0.0026247 k( 194) = ( 0.1481482 0.0855334 0.2753539), wk = 0.0026247 k( 195) = ( 0.1574074 0.0908792 0.2753539), wk = 0.0026247 k( 196) = ( 0.1666667 0.0962250 0.2753539), wk = 0.0026247 k( 197) = ( 0.1759259 0.1015709 0.2753539), wk = 0.0026247 k( 198) = ( 0.1851852 0.1069167 0.2753539), wk = 0.0026247 k( 199) = ( 0.1944444 0.1122625 0.2753539), wk = 0.0026247 k( 200) = ( 0.2037037 0.1176084 0.2753539), wk = 0.0026247 k( 201) = ( 0.2129630 0.1229542 0.2753539), wk = 0.0026247 k( 202) = ( 0.2222222 0.1283001 0.2753539), wk = 0.0026247 k( 203) = ( 0.2314815 0.1336459 0.2753539), wk = 0.0026247 k( 204) = ( 0.2407407 0.1389917 0.2753539), wk = 0.0026247 k( 205) = ( 0.2500000 0.1443376 0.2753539), wk = 0.0026247 k( 206) = ( 0.2592593 0.1496834 0.2753539), wk = 0.0026247 k( 207) = ( 0.2685185 0.1550292 0.2753539), wk = 0.0026247 k( 208) = ( 0.2777778 0.1603751 0.2753539), wk = 0.0026247 k( 209) = ( 0.2870370 0.1657209 0.2753539), wk = 0.0026247 k( 210) = ( 0.2962963 0.1710667 0.2753539), wk = 0.0026247 k( 211) = ( 0.3055556 0.1764126 0.2753539), wk = 0.0026247 k( 212) = ( 0.3148148 0.1817584 0.2753539), wk = 0.0026247 k( 213) = ( 0.3240741 0.1871043 0.2753539), wk = 0.0026247 k( 214) = ( 0.3333333 0.1924501 0.2753539), wk = 0.0026247 k( 215) = ( 0.3425926 0.1977959 0.2753539), wk = 0.0026247 k( 216) = ( 0.3518519 0.2031418 0.2753539), wk = 0.0026247 k( 217) = ( 0.3611111 0.2084876 0.2753539), wk = 0.0026247 k( 218) = ( 0.3703704 0.2138334 0.2753539), wk = 0.0026247 k( 219) = ( 0.3796296 0.2191793 0.2753539), wk = 0.0026247 k( 220) = ( 0.3888889 0.2245251 0.2753539), wk = 0.0026247 k( 221) = ( 0.3981481 0.2298709 0.2753539), wk = 0.0026247 k( 222) = ( 0.4074074 0.2352168 0.2753539), wk = 0.0026247 k( 223) = ( 0.4166667 0.2405626 0.2753539), wk = 0.0026247 k( 224) = ( 0.4259259 0.2459085 0.2753539), wk = 0.0026247 k( 225) = ( 0.4351852 0.2512543 0.2753539), wk = 0.0026247 k( 226) = ( 0.4444444 0.2566001 0.2753539), wk = 0.0026247 k( 227) = ( 0.4537037 0.2619460 0.2753539), wk = 0.0026247 k( 228) = ( 0.4629630 0.2672918 0.2753539), wk = 0.0026247 k( 229) = ( 0.4722222 0.2726376 0.2753539), wk = 0.0026247 k( 230) = ( 0.4814815 0.2779835 0.2753539), wk = 0.0026247 k( 231) = ( 0.4907407 0.2833293 0.2753539), wk = 0.0026247 k( 232) = ( 0.5000000 0.2886751 0.2753539), wk = 0.0026247 k( 233) = ( 0.5000000 0.2886751 0.2753539), wk = 0.0026247 k( 234) = ( 0.4946237 0.2979872 0.2753539), wk = 0.0026247 k( 235) = ( 0.4892473 0.3072993 0.2753539), wk = 0.0026247 k( 236) = ( 0.4838710 0.3166114 0.2753539), wk = 0.0026247 k( 237) = ( 0.4784946 0.3259235 0.2753539), wk = 0.0026247 k( 238) = ( 0.4731183 0.3352356 0.2753539), wk = 0.0026247 k( 239) = ( 0.4677419 0.3445477 0.2753539), wk = 0.0026247 k( 240) = ( 0.4623656 0.3538598 0.2753539), wk = 0.0026247 k( 241) = ( 0.4569893 0.3631720 0.2753539), wk = 0.0026247 k( 242) = ( 0.4516129 0.3724840 0.2753539), wk = 0.0026247 k( 243) = ( 0.4462366 0.3817961 0.2753539), wk = 0.0026247 k( 244) = ( 0.4408602 0.3911082 0.2753539), wk = 0.0026247 k( 245) = ( 0.4354839 0.4004203 0.2753539), wk = 0.0026247 k( 246) = ( 0.4301075 0.4097325 0.2753539), wk = 0.0026247 k( 247) = ( 0.4247312 0.4190445 0.2753539), wk = 0.0026247 k( 248) = ( 0.4193548 0.4283566 0.2753539), wk = 0.0026247 k( 249) = ( 0.4139785 0.4376687 0.2753539), wk = 0.0026247 k( 250) = ( 0.4086021 0.4469809 0.2753539), wk = 0.0026247 k( 251) = ( 0.4032258 0.4562930 0.2753539), wk = 0.0026247 k( 252) = ( 0.3978495 0.4656051 0.2753539), wk = 0.0026247 k( 253) = ( 0.3924731 0.4749172 0.2753539), wk = 0.0026247 k( 254) = ( 0.3870968 0.4842293 0.2753539), wk = 0.0026247 k( 255) = ( 0.3817204 0.4935414 0.2753539), wk = 0.0026247 k( 256) = ( 0.3763441 0.5028535 0.2753539), wk = 0.0026247 k( 257) = ( 0.3709677 0.5121656 0.2753539), wk = 0.0026247 k( 258) = ( 0.3655914 0.5214777 0.2753539), wk = 0.0026247 k( 259) = ( 0.3602150 0.5307898 0.2753539), wk = 0.0026247 k( 260) = ( 0.3548387 0.5401019 0.2753539), wk = 0.0026247 k( 261) = ( 0.3494624 0.5494140 0.2753539), wk = 0.0026247 k( 262) = ( 0.3440860 0.5587261 0.2753539), wk = 0.0026247 k( 263) = ( 0.3387097 0.5680382 0.2753539), wk = 0.0026247 k( 264) = ( 0.3333333 0.5773503 0.2753539), wk = 0.0026247 k( 265) = ( 0.3333333 0.5773503 0.2753539), wk = 0.0026247 k( 266) = ( 0.3279570 0.5680382 0.2753539), wk = 0.0026247 k( 267) = ( 0.3225807 0.5587261 0.2753539), wk = 0.0026247 k( 268) = ( 0.3172043 0.5494140 0.2753539), wk = 0.0026247 k( 269) = ( 0.3118280 0.5401019 0.2753539), wk = 0.0026247 k( 270) = ( 0.3064516 0.5307898 0.2753539), wk = 0.0026247 k( 271) = ( 0.3010753 0.5214777 0.2753539), wk = 0.0026247 k( 272) = ( 0.2956989 0.5121656 0.2753539), wk = 0.0026247 k( 273) = ( 0.2903226 0.5028535 0.2753539), wk = 0.0026247 k( 274) = ( 0.2849462 0.4935414 0.2753539), wk = 0.0026247 k( 275) = ( 0.2795699 0.4842293 0.2753539), wk = 0.0026247 k( 276) = ( 0.2741936 0.4749172 0.2753539), wk = 0.0026247 k( 277) = ( 0.2688172 0.4656050 0.2753539), wk = 0.0026247 k( 278) = ( 0.2634409 0.4562930 0.2753539), wk = 0.0026247 k( 279) = ( 0.2580645 0.4469809 0.2753539), wk = 0.0026247 k( 280) = ( 0.2526882 0.4376687 0.2753539), wk = 0.0026247 k( 281) = ( 0.2473118 0.4283567 0.2753539), wk = 0.0026247 k( 282) = ( 0.2419355 0.4190445 0.2753539), wk = 0.0026247 k( 283) = ( 0.2365591 0.4097324 0.2753539), wk = 0.0026247 k( 284) = ( 0.2311828 0.4004204 0.2753539), wk = 0.0026247 k( 285) = ( 0.2258064 0.3911082 0.2753539), wk = 0.0026247 k( 286) = ( 0.2204301 0.3817962 0.2753539), wk = 0.0026247 k( 287) = ( 0.2150538 0.3724840 0.2753539), wk = 0.0026247 k( 288) = ( 0.2096774 0.3631719 0.2753539), wk = 0.0026247 k( 289) = ( 0.2043011 0.3538599 0.2753539), wk = 0.0026247 k( 290) = ( 0.1989247 0.3445477 0.2753539), wk = 0.0026247 k( 291) = ( 0.1935484 0.3352356 0.2753539), wk = 0.0026247 k( 292) = ( 0.1881720 0.3259235 0.2753539), wk = 0.0026247 k( 293) = ( 0.1827957 0.3166114 0.2753539), wk = 0.0026247 k( 294) = ( 0.1774194 0.3072993 0.2753539), wk = 0.0026247 k( 295) = ( 0.1720430 0.2979872 0.2753539), wk = 0.0026247 k( 296) = ( 0.1666667 0.2886751 0.2753539), wk = 0.0026247 k( 297) = ( 0.1612903 0.2793630 0.2753539), wk = 0.0026247 k( 298) = ( 0.1559140 0.2700509 0.2753539), wk = 0.0026247 k( 299) = ( 0.1505376 0.2607388 0.2753539), wk = 0.0026247 k( 300) = ( 0.1451613 0.2514267 0.2753539), wk = 0.0026247 k( 301) = ( 0.1397849 0.2421146 0.2753539), wk = 0.0026247 k( 302) = ( 0.1344086 0.2328025 0.2753539), wk = 0.0026247 k( 303) = ( 0.1290323 0.2234904 0.2753539), wk = 0.0026247 k( 304) = ( 0.1236559 0.2141783 0.2753539), wk = 0.0026247 k( 305) = ( 0.1182796 0.2048662 0.2753539), wk = 0.0026247 k( 306) = ( 0.1129032 0.1955541 0.2753539), wk = 0.0026247 k( 307) = ( 0.1075269 0.1862420 0.2753539), wk = 0.0026247 k( 308) = ( 0.1021505 0.1769299 0.2753539), wk = 0.0026247 k( 309) = ( 0.0967742 0.1676178 0.2753539), wk = 0.0026247 k( 310) = ( 0.0913979 0.1583057 0.2753539), wk = 0.0026247 k( 311) = ( 0.0860215 0.1489936 0.2753539), wk = 0.0026247 k( 312) = ( 0.0806452 0.1396815 0.2753539), wk = 0.0026247 k( 313) = ( 0.0752688 0.1303694 0.2753539), wk = 0.0026247 k( 314) = ( 0.0698925 0.1210573 0.2753539), wk = 0.0026247 k( 315) = ( 0.0645161 0.1117452 0.2753539), wk = 0.0026247 k( 316) = ( 0.0591398 0.1024331 0.2753539), wk = 0.0026247 k( 317) = ( 0.0537634 0.0931210 0.2753539), wk = 0.0026247 k( 318) = ( 0.0483871 0.0838089 0.2753539), wk = 0.0026247 k( 319) = ( 0.0430108 0.0744968 0.2753539), wk = 0.0026247 k( 320) = ( 0.0376344 0.0651847 0.2753539), wk = 0.0026247 k( 321) = ( 0.0322581 0.0558726 0.2753539), wk = 0.0026247 k( 322) = ( 0.0268817 0.0465605 0.2753539), wk = 0.0026247 k( 323) = ( 0.0215054 0.0372484 0.2753539), wk = 0.0026247 k( 324) = ( 0.0161290 0.0279363 0.2753539), wk = 0.0026247 k( 325) = ( 0.0107527 0.0186242 0.2753539), wk = 0.0026247 k( 326) = ( 0.0053763 0.0093121 0.2753539), wk = 0.0026247 k( 327) = ( 0.0000000 0.0000000 0.2753539), wk = 0.0026247 k( 328) = ( 0.5000000 0.2886751 0.2753539), wk = 0.0026247 k( 329) = ( 0.5000000 0.2886751 0.2647634), wk = 0.0026247 k( 330) = ( 0.5000000 0.2886751 0.2541729), wk = 0.0026247 k( 331) = ( 0.5000000 0.2886751 0.2435823), wk = 0.0026247 k( 332) = ( 0.5000000 0.2886751 0.2329918), wk = 0.0026247 k( 333) = ( 0.5000000 0.2886751 0.2224013), wk = 0.0026247 k( 334) = ( 0.5000000 0.2886751 0.2118107), wk = 0.0026247 k( 335) = ( 0.5000000 0.2886751 0.2012202), wk = 0.0026247 k( 336) = ( 0.5000000 0.2886751 0.1906297), wk = 0.0026247 k( 337) = ( 0.5000000 0.2886751 0.1800391), wk = 0.0026247 k( 338) = ( 0.5000000 0.2886751 0.1694486), wk = 0.0026247 k( 339) = ( 0.5000000 0.2886751 0.1588580), wk = 0.0026247 k( 340) = ( 0.5000000 0.2886751 0.1482675), wk = 0.0026247 k( 341) = ( 0.5000000 0.2886751 0.1376770), wk = 0.0026247 k( 342) = ( 0.5000000 0.2886751 0.1270864), wk = 0.0026247 k( 343) = ( 0.5000000 0.2886751 0.1164959), wk = 0.0026247 k( 344) = ( 0.5000000 0.2886751 0.1059054), wk = 0.0026247 k( 345) = ( 0.5000000 0.2886751 0.0953148), wk = 0.0026247 k( 346) = ( 0.5000000 0.2886751 0.0847243), wk = 0.0026247 k( 347) = ( 0.5000000 0.2886751 0.0741337), wk = 0.0026247 k( 348) = ( 0.5000000 0.2886751 0.0635432), wk = 0.0026247 k( 349) = ( 0.5000000 0.2886751 0.0529527), wk = 0.0026247 k( 350) = ( 0.5000000 0.2886751 0.0423621), wk = 0.0026247 k( 351) = ( 0.5000000 0.2886751 0.0317716), wk = 0.0026247 k( 352) = ( 0.5000000 0.2886751 0.0211811), wk = 0.0026247 k( 353) = ( 0.5000000 0.2886751 0.0105905), wk = 0.0026247 k( 354) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0026247 k( 355) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0026247 k( 356) = ( 0.3333333 0.5773503 0.0105905), wk = 0.0026247 k( 357) = ( 0.3333333 0.5773503 0.0211811), wk = 0.0026247 k( 358) = ( 0.3333333 0.5773503 0.0317716), wk = 0.0026247 k( 359) = ( 0.3333333 0.5773503 0.0423621), wk = 0.0026247 k( 360) = ( 0.3333333 0.5773503 0.0529527), wk = 0.0026247 k( 361) = ( 0.3333333 0.5773503 0.0635432), wk = 0.0026247 k( 362) = ( 0.3333333 0.5773503 0.0741337), wk = 0.0026247 k( 363) = ( 0.3333333 0.5773503 0.0847243), wk = 0.0026247 k( 364) = ( 0.3333333 0.5773503 0.0953148), wk = 0.0026247 k( 365) = ( 0.3333333 0.5773503 0.1059054), wk = 0.0026247 k( 366) = ( 0.3333333 0.5773503 0.1164959), wk = 0.0026247 k( 367) = ( 0.3333333 0.5773503 0.1270864), wk = 0.0026247 k( 368) = ( 0.3333333 0.5773503 0.1376770), wk = 0.0026247 k( 369) = ( 0.3333333 0.5773503 0.1482675), wk = 0.0026247 k( 370) = ( 0.3333333 0.5773503 0.1588580), wk = 0.0026247 k( 371) = ( 0.3333333 0.5773503 0.1694486), wk = 0.0026247 k( 372) = ( 0.3333333 0.5773503 0.1800391), wk = 0.0026247 k( 373) = ( 0.3333333 0.5773503 0.1906297), wk = 0.0026247 k( 374) = ( 0.3333333 0.5773503 0.2012202), wk = 0.0026247 k( 375) = ( 0.3333333 0.5773503 0.2118107), wk = 0.0026247 k( 376) = ( 0.3333333 0.5773503 0.2224013), wk = 0.0026247 k( 377) = ( 0.3333333 0.5773503 0.2329918), wk = 0.0026247 k( 378) = ( 0.3333333 0.5773503 0.2435823), wk = 0.0026247 k( 379) = ( 0.3333333 0.5773503 0.2541729), wk = 0.0026247 k( 380) = ( 0.3333333 0.5773503 0.2647634), wk = 0.0026247 k( 381) = ( 0.3333333 0.5773503 0.2753539), wk = 0.0026247 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 2) = ( 0.0092593 -0.0000000 -0.0000000), wk = 0.0026247 k( 3) = ( 0.0185185 -0.0000000 -0.0000000), wk = 0.0026247 k( 4) = ( 0.0277778 0.0000000 -0.0000000), wk = 0.0026247 k( 5) = ( 0.0370370 -0.0000000 -0.0000000), wk = 0.0026247 k( 6) = ( 0.0462963 -0.0000000 -0.0000000), wk = 0.0026247 k( 7) = ( 0.0555556 0.0000000 -0.0000000), wk = 0.0026247 k( 8) = ( 0.0648148 -0.0000000 0.0000000), wk = 0.0026247 k( 9) = ( 0.0740741 -0.0000000 -0.0000000), wk = 0.0026247 k( 10) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0026247 k( 11) = ( 0.0925926 -0.0000000 -0.0000000), wk = 0.0026247 k( 12) = ( 0.1018518 -0.0000000 -0.0000000), wk = 0.0026247 k( 13) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0026247 k( 14) = ( 0.1203704 -0.0000000 -0.0000000), wk = 0.0026247 k( 15) = ( 0.1296296 -0.0000000 -0.0000000), wk = 0.0026247 k( 16) = ( 0.1388889 -0.0000000 0.0000000), wk = 0.0026247 k( 17) = ( 0.1481482 -0.0000000 -0.0000000), wk = 0.0026247 k( 18) = ( 0.1574074 -0.0000000 -0.0000000), wk = 0.0026247 k( 19) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0026247 k( 20) = ( 0.1759259 -0.0000000 -0.0000000), wk = 0.0026247 k( 21) = ( 0.1851852 -0.0000000 -0.0000000), wk = 0.0026247 k( 22) = ( 0.1944444 -0.0000000 -0.0000000), wk = 0.0026247 k( 23) = ( 0.2037037 -0.0000000 -0.0000000), wk = 0.0026247 k( 24) = ( 0.2129630 -0.0000000 -0.0000000), wk = 0.0026247 k( 25) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0026247 k( 26) = ( 0.2314815 -0.0000000 -0.0000000), wk = 0.0026247 k( 27) = ( 0.2407407 -0.0000000 -0.0000000), wk = 0.0026247 k( 28) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0026247 k( 29) = ( 0.2592593 -0.0000000 -0.0000000), wk = 0.0026247 k( 30) = ( 0.2685185 -0.0000000 -0.0000000), wk = 0.0026247 k( 31) = ( 0.2777778 -0.0000000 0.0000000), wk = 0.0026247 k( 32) = ( 0.2870370 -0.0000000 -0.0000000), wk = 0.0026247 k( 33) = ( 0.2962963 -0.0000000 -0.0000000), wk = 0.0026247 k( 34) = ( 0.3055556 -0.0000000 -0.0000000), wk = 0.0026247 k( 35) = ( 0.3148148 -0.0000000 -0.0000000), wk = 0.0026247 k( 36) = ( 0.3240741 -0.0000000 -0.0000000), wk = 0.0026247 k( 37) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0026247 k( 38) = ( 0.3425926 -0.0000000 -0.0000000), wk = 0.0026247 k( 39) = ( 0.3518519 -0.0000000 -0.0000000), wk = 0.0026247 k( 40) = ( 0.3611111 -0.0000000 -0.0000000), wk = 0.0026247 k( 41) = ( 0.3703704 -0.0000000 -0.0000000), wk = 0.0026247 k( 42) = ( 0.3796296 -0.0000000 -0.0000000), wk = 0.0026247 k( 43) = ( 0.3888889 -0.0000000 -0.0000000), wk = 0.0026247 k( 44) = ( 0.3981481 -0.0000000 0.0000000), wk = 0.0026247 k( 45) = ( 0.4074074 -0.0000000 -0.0000000), wk = 0.0026247 k( 46) = ( 0.4166667 -0.0000000 -0.0000000), wk = 0.0026247 k( 47) = ( 0.4259259 -0.0000000 -0.0000000), wk = 0.0026247 k( 48) = ( 0.4351852 -0.0000000 -0.0000000), wk = 0.0026247 k( 49) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0026247 k( 50) = ( 0.4537037 -0.0000000 0.0000000), wk = 0.0026247 k( 51) = ( 0.4629630 -0.0000000 -0.0000000), wk = 0.0026247 k( 52) = ( 0.4722222 -0.0000000 -0.0000000), wk = 0.0026247 k( 53) = ( 0.4814815 -0.0000000 -0.0000000), wk = 0.0026247 k( 54) = ( 0.4907407 0.0000000 -0.0000000), wk = 0.0026247 k( 55) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0026247 k( 56) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0026247 k( 57) = ( 0.4946237 0.0107527 -0.0000000), wk = 0.0026247 k( 58) = ( 0.4892473 0.0215054 -0.0000000), wk = 0.0026247 k( 59) = ( 0.4838710 0.0322581 -0.0000000), wk = 0.0026247 k( 60) = ( 0.4784946 0.0430107 -0.0000000), wk = 0.0026247 k( 61) = ( 0.4731183 0.0537634 -0.0000000), wk = 0.0026247 k( 62) = ( 0.4677419 0.0645161 -0.0000000), wk = 0.0026247 k( 63) = ( 0.4623656 0.0752688 -0.0000000), wk = 0.0026247 k( 64) = ( 0.4569893 0.0860215 -0.0000000), wk = 0.0026247 k( 65) = ( 0.4516129 0.0967742 -0.0000000), wk = 0.0026247 k( 66) = ( 0.4462366 0.1075269 -0.0000000), wk = 0.0026247 k( 67) = ( 0.4408602 0.1182796 -0.0000000), wk = 0.0026247 k( 68) = ( 0.4354839 0.1290323 0.0000000), wk = 0.0026247 k( 69) = ( 0.4301075 0.1397849 0.0000000), wk = 0.0026247 k( 70) = ( 0.4247312 0.1505376 -0.0000000), wk = 0.0026247 k( 71) = ( 0.4193548 0.1612903 -0.0000000), wk = 0.0026247 k( 72) = ( 0.4139785 0.1720430 0.0000000), wk = 0.0026247 k( 73) = ( 0.4086021 0.1827957 -0.0000000), wk = 0.0026247 k( 74) = ( 0.4032258 0.1935484 -0.0000000), wk = 0.0026247 k( 75) = ( 0.3978495 0.2043011 -0.0000000), wk = 0.0026247 k( 76) = ( 0.3924731 0.2150538 -0.0000000), wk = 0.0026247 k( 77) = ( 0.3870968 0.2258064 0.0000000), wk = 0.0026247 k( 78) = ( 0.3817204 0.2365591 -0.0000000), wk = 0.0026247 k( 79) = ( 0.3763441 0.2473118 -0.0000000), wk = 0.0026247 k( 80) = ( 0.3709677 0.2580645 -0.0000000), wk = 0.0026247 k( 81) = ( 0.3655914 0.2688172 -0.0000000), wk = 0.0026247 k( 82) = ( 0.3602150 0.2795699 -0.0000000), wk = 0.0026247 k( 83) = ( 0.3548387 0.2903226 -0.0000000), wk = 0.0026247 k( 84) = ( 0.3494624 0.3010753 -0.0000000), wk = 0.0026247 k( 85) = ( 0.3440860 0.3118280 0.0000000), wk = 0.0026247 k( 86) = ( 0.3387097 0.3225806 0.0000000), wk = 0.0026247 k( 87) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0026247 k( 88) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0026247 k( 89) = ( 0.3279570 0.3279570 -0.0000000), wk = 0.0026247 k( 90) = ( 0.3225807 0.3225806 -0.0000000), wk = 0.0026247 k( 91) = ( 0.3172043 0.3172043 -0.0000000), wk = 0.0026247 k( 92) = ( 0.3118280 0.3118280 0.0000000), wk = 0.0026247 k( 93) = ( 0.3064516 0.3064516 -0.0000000), wk = 0.0026247 k( 94) = ( 0.3010753 0.3010753 -0.0000000), wk = 0.0026247 k( 95) = ( 0.2956989 0.2956989 -0.0000000), wk = 0.0026247 k( 96) = ( 0.2903226 0.2903226 -0.0000000), wk = 0.0026247 k( 97) = ( 0.2849462 0.2849462 -0.0000000), wk = 0.0026247 k( 98) = ( 0.2795699 0.2795699 -0.0000000), wk = 0.0026247 k( 99) = ( 0.2741936 0.2741935 -0.0000000), wk = 0.0026247 k( 100) = ( 0.2688172 0.2688172 -0.0000000), wk = 0.0026247 k( 101) = ( 0.2634409 0.2634409 -0.0000000), wk = 0.0026247 k( 102) = ( 0.2580645 0.2580645 -0.0000000), wk = 0.0026247 k( 103) = ( 0.2526882 0.2526882 -0.0000000), wk = 0.0026247 k( 104) = ( 0.2473118 0.2473118 0.0000000), wk = 0.0026247 k( 105) = ( 0.2419355 0.2419355 -0.0000000), wk = 0.0026247 k( 106) = ( 0.2365591 0.2365591 0.0000000), wk = 0.0026247 k( 107) = ( 0.2311828 0.2311828 -0.0000000), wk = 0.0026247 k( 108) = ( 0.2258064 0.2258064 0.0000000), wk = 0.0026247 k( 109) = ( 0.2204301 0.2204301 -0.0000000), wk = 0.0026247 k( 110) = ( 0.2150538 0.2150538 0.0000000), wk = 0.0026247 k( 111) = ( 0.2096774 0.2096774 -0.0000000), wk = 0.0026247 k( 112) = ( 0.2043011 0.2043011 0.0000000), wk = 0.0026247 k( 113) = ( 0.1989247 0.1989247 0.0000000), wk = 0.0026247 k( 114) = ( 0.1935484 0.1935484 -0.0000000), wk = 0.0026247 k( 115) = ( 0.1881720 0.1881720 -0.0000000), wk = 0.0026247 k( 116) = ( 0.1827957 0.1827957 -0.0000000), wk = 0.0026247 k( 117) = ( 0.1774194 0.1774194 -0.0000000), wk = 0.0026247 k( 118) = ( 0.1720430 0.1720430 -0.0000000), wk = 0.0026247 k( 119) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0026247 k( 120) = ( 0.1612903 0.1612903 0.0000000), wk = 0.0026247 k( 121) = ( 0.1559140 0.1559140 0.0000000), wk = 0.0026247 k( 122) = ( 0.1505376 0.1505376 -0.0000000), wk = 0.0026247 k( 123) = ( 0.1451613 0.1451613 -0.0000000), wk = 0.0026247 k( 124) = ( 0.1397849 0.1397849 -0.0000000), wk = 0.0026247 k( 125) = ( 0.1344086 0.1344086 -0.0000000), wk = 0.0026247 k( 126) = ( 0.1290323 0.1290323 -0.0000000), wk = 0.0026247 k( 127) = ( 0.1236559 0.1236559 0.0000000), wk = 0.0026247 k( 128) = ( 0.1182796 0.1182796 0.0000000), wk = 0.0026247 k( 129) = ( 0.1129032 0.1129032 -0.0000000), wk = 0.0026247 k( 130) = ( 0.1075269 0.1075269 0.0000000), wk = 0.0026247 k( 131) = ( 0.1021505 0.1021505 0.0000000), wk = 0.0026247 k( 132) = ( 0.0967742 0.0967742 -0.0000000), wk = 0.0026247 k( 133) = ( 0.0913979 0.0913978 -0.0000000), wk = 0.0026247 k( 134) = ( 0.0860215 0.0860215 -0.0000000), wk = 0.0026247 k( 135) = ( 0.0806452 0.0806452 0.0000000), wk = 0.0026247 k( 136) = ( 0.0752688 0.0752688 0.0000000), wk = 0.0026247 k( 137) = ( 0.0698925 0.0698925 -0.0000000), wk = 0.0026247 k( 138) = ( 0.0645161 0.0645161 -0.0000000), wk = 0.0026247 k( 139) = ( 0.0591398 0.0591398 -0.0000000), wk = 0.0026247 k( 140) = ( 0.0537634 0.0537634 0.0000000), wk = 0.0026247 k( 141) = ( 0.0483871 0.0483871 0.0000000), wk = 0.0026247 k( 142) = ( 0.0430108 0.0430107 -0.0000000), wk = 0.0026247 k( 143) = ( 0.0376344 0.0376344 0.0000000), wk = 0.0026247 k( 144) = ( 0.0322581 0.0322581 -0.0000000), wk = 0.0026247 k( 145) = ( 0.0268817 0.0268817 0.0000000), wk = 0.0026247 k( 146) = ( 0.0215054 0.0215054 -0.0000000), wk = 0.0026247 k( 147) = ( 0.0161290 0.0161290 -0.0000000), wk = 0.0026247 k( 148) = ( 0.0107527 0.0107527 -0.0000000), wk = 0.0026247 k( 149) = ( 0.0053763 0.0053763 0.0000000), wk = 0.0026247 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026247 k( 152) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0026247 k( 153) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0026247 k( 154) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0026247 k( 155) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0026247 k( 156) = ( 0.0000000 0.0000000 0.0961538), wk = 0.0026247 k( 157) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0026247 k( 158) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0026247 k( 159) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0026247 k( 160) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0026247 k( 161) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0026247 k( 162) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0026247 k( 163) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0026247 k( 164) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0026247 k( 165) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0026247 k( 166) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0026247 k( 167) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0026247 k( 168) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0026247 k( 169) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0026247 k( 170) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0026247 k( 171) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0026247 k( 172) = ( 0.0000000 0.0000000 0.4038462), wk = 0.0026247 k( 173) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0026247 k( 174) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0026247 k( 175) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0026247 k( 176) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0026247 k( 177) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026247 k( 178) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026247 k( 179) = ( 0.0092593 -0.0000000 0.5000000), wk = 0.0026247 k( 180) = ( 0.0185185 -0.0000000 0.5000000), wk = 0.0026247 k( 181) = ( 0.0277778 0.0000000 0.5000000), wk = 0.0026247 k( 182) = ( 0.0370370 -0.0000000 0.5000000), wk = 0.0026247 k( 183) = ( 0.0462963 -0.0000000 0.5000000), wk = 0.0026247 k( 184) = ( 0.0555556 0.0000000 0.5000000), wk = 0.0026247 k( 185) = ( 0.0648148 -0.0000000 0.5000000), wk = 0.0026247 k( 186) = ( 0.0740741 -0.0000000 0.5000000), wk = 0.0026247 k( 187) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0026247 k( 188) = ( 0.0925926 -0.0000000 0.5000000), wk = 0.0026247 k( 189) = ( 0.1018518 -0.0000000 0.5000000), wk = 0.0026247 k( 190) = ( 0.1111111 -0.0000000 0.5000000), wk = 0.0026247 k( 191) = ( 0.1203704 -0.0000000 0.5000000), wk = 0.0026247 k( 192) = ( 0.1296296 -0.0000000 0.5000000), wk = 0.0026247 k( 193) = ( 0.1388889 -0.0000000 0.5000000), wk = 0.0026247 k( 194) = ( 0.1481482 -0.0000000 0.5000000), wk = 0.0026247 k( 195) = ( 0.1574074 -0.0000000 0.5000000), wk = 0.0026247 k( 196) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0026247 k( 197) = ( 0.1759259 -0.0000000 0.5000000), wk = 0.0026247 k( 198) = ( 0.1851852 -0.0000000 0.5000000), wk = 0.0026247 k( 199) = ( 0.1944444 -0.0000000 0.5000000), wk = 0.0026247 k( 200) = ( 0.2037037 -0.0000000 0.5000000), wk = 0.0026247 k( 201) = ( 0.2129630 -0.0000000 0.5000000), wk = 0.0026247 k( 202) = ( 0.2222222 -0.0000000 0.5000000), wk = 0.0026247 k( 203) = ( 0.2314815 -0.0000000 0.5000000), wk = 0.0026247 k( 204) = ( 0.2407407 -0.0000000 0.5000000), wk = 0.0026247 k( 205) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0026247 k( 206) = ( 0.2592593 -0.0000000 0.5000000), wk = 0.0026247 k( 207) = ( 0.2685185 -0.0000000 0.5000000), wk = 0.0026247 k( 208) = ( 0.2777778 -0.0000000 0.5000000), wk = 0.0026247 k( 209) = ( 0.2870370 -0.0000000 0.5000000), wk = 0.0026247 k( 210) = ( 0.2962963 -0.0000000 0.5000000), wk = 0.0026247 k( 211) = ( 0.3055556 -0.0000000 0.5000000), wk = 0.0026247 k( 212) = ( 0.3148148 -0.0000000 0.5000000), wk = 0.0026247 k( 213) = ( 0.3240741 -0.0000000 0.5000000), wk = 0.0026247 k( 214) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0026247 k( 215) = ( 0.3425926 -0.0000000 0.5000000), wk = 0.0026247 k( 216) = ( 0.3518519 -0.0000000 0.5000000), wk = 0.0026247 k( 217) = ( 0.3611111 -0.0000000 0.5000000), wk = 0.0026247 k( 218) = ( 0.3703704 -0.0000000 0.5000000), wk = 0.0026247 k( 219) = ( 0.3796296 -0.0000000 0.5000000), wk = 0.0026247 k( 220) = ( 0.3888889 -0.0000000 0.5000000), wk = 0.0026247 k( 221) = ( 0.3981481 -0.0000000 0.5000000), wk = 0.0026247 k( 222) = ( 0.4074074 -0.0000000 0.5000000), wk = 0.0026247 k( 223) = ( 0.4166667 -0.0000000 0.5000000), wk = 0.0026247 k( 224) = ( 0.4259259 -0.0000000 0.5000000), wk = 0.0026247 k( 225) = ( 0.4351852 -0.0000000 0.5000000), wk = 0.0026247 k( 226) = ( 0.4444444 -0.0000000 0.5000000), wk = 0.0026247 k( 227) = ( 0.4537037 -0.0000000 0.5000000), wk = 0.0026247 k( 228) = ( 0.4629630 -0.0000000 0.5000000), wk = 0.0026247 k( 229) = ( 0.4722222 -0.0000000 0.5000000), wk = 0.0026247 k( 230) = ( 0.4814815 -0.0000000 0.5000000), wk = 0.0026247 k( 231) = ( 0.4907407 0.0000000 0.5000000), wk = 0.0026247 k( 232) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026247 k( 233) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026247 k( 234) = ( 0.4946237 0.0107527 0.5000000), wk = 0.0026247 k( 235) = ( 0.4892473 0.0215054 0.5000000), wk = 0.0026247 k( 236) = ( 0.4838710 0.0322581 0.5000000), wk = 0.0026247 k( 237) = ( 0.4784946 0.0430107 0.5000000), wk = 0.0026247 k( 238) = ( 0.4731183 0.0537634 0.5000000), wk = 0.0026247 k( 239) = ( 0.4677419 0.0645161 0.5000000), wk = 0.0026247 k( 240) = ( 0.4623656 0.0752688 0.5000000), wk = 0.0026247 k( 241) = ( 0.4569893 0.0860215 0.5000000), wk = 0.0026247 k( 242) = ( 0.4516129 0.0967742 0.5000000), wk = 0.0026247 k( 243) = ( 0.4462366 0.1075269 0.5000000), wk = 0.0026247 k( 244) = ( 0.4408602 0.1182796 0.5000000), wk = 0.0026247 k( 245) = ( 0.4354839 0.1290323 0.5000000), wk = 0.0026247 k( 246) = ( 0.4301075 0.1397849 0.5000000), wk = 0.0026247 k( 247) = ( 0.4247312 0.1505376 0.5000000), wk = 0.0026247 k( 248) = ( 0.4193548 0.1612903 0.5000000), wk = 0.0026247 k( 249) = ( 0.4139785 0.1720430 0.5000000), wk = 0.0026247 k( 250) = ( 0.4086021 0.1827957 0.5000000), wk = 0.0026247 k( 251) = ( 0.4032258 0.1935484 0.5000000), wk = 0.0026247 k( 252) = ( 0.3978495 0.2043011 0.5000000), wk = 0.0026247 k( 253) = ( 0.3924731 0.2150538 0.5000000), wk = 0.0026247 k( 254) = ( 0.3870968 0.2258064 0.5000000), wk = 0.0026247 k( 255) = ( 0.3817204 0.2365591 0.5000000), wk = 0.0026247 k( 256) = ( 0.3763441 0.2473118 0.5000000), wk = 0.0026247 k( 257) = ( 0.3709677 0.2580645 0.5000000), wk = 0.0026247 k( 258) = ( 0.3655914 0.2688172 0.5000000), wk = 0.0026247 k( 259) = ( 0.3602150 0.2795699 0.5000000), wk = 0.0026247 k( 260) = ( 0.3548387 0.2903226 0.5000000), wk = 0.0026247 k( 261) = ( 0.3494624 0.3010753 0.5000000), wk = 0.0026247 k( 262) = ( 0.3440860 0.3118280 0.5000000), wk = 0.0026247 k( 263) = ( 0.3387097 0.3225806 0.5000000), wk = 0.0026247 k( 264) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026247 k( 265) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026247 k( 266) = ( 0.3279570 0.3279570 0.5000000), wk = 0.0026247 k( 267) = ( 0.3225807 0.3225806 0.5000000), wk = 0.0026247 k( 268) = ( 0.3172043 0.3172043 0.5000000), wk = 0.0026247 k( 269) = ( 0.3118280 0.3118280 0.5000000), wk = 0.0026247 k( 270) = ( 0.3064516 0.3064516 0.5000000), wk = 0.0026247 k( 271) = ( 0.3010753 0.3010753 0.5000000), wk = 0.0026247 k( 272) = ( 0.2956989 0.2956989 0.5000000), wk = 0.0026247 k( 273) = ( 0.2903226 0.2903226 0.5000000), wk = 0.0026247 k( 274) = ( 0.2849462 0.2849462 0.5000000), wk = 0.0026247 k( 275) = ( 0.2795699 0.2795699 0.5000000), wk = 0.0026247 k( 276) = ( 0.2741936 0.2741935 0.5000000), wk = 0.0026247 k( 277) = ( 0.2688172 0.2688172 0.5000000), wk = 0.0026247 k( 278) = ( 0.2634409 0.2634409 0.5000000), wk = 0.0026247 k( 279) = ( 0.2580645 0.2580645 0.5000000), wk = 0.0026247 k( 280) = ( 0.2526882 0.2526882 0.5000000), wk = 0.0026247 k( 281) = ( 0.2473118 0.2473118 0.5000000), wk = 0.0026247 k( 282) = ( 0.2419355 0.2419355 0.5000000), wk = 0.0026247 k( 283) = ( 0.2365591 0.2365591 0.5000000), wk = 0.0026247 k( 284) = ( 0.2311828 0.2311828 0.5000000), wk = 0.0026247 k( 285) = ( 0.2258064 0.2258064 0.5000000), wk = 0.0026247 k( 286) = ( 0.2204301 0.2204301 0.5000000), wk = 0.0026247 k( 287) = ( 0.2150538 0.2150538 0.5000000), wk = 0.0026247 k( 288) = ( 0.2096774 0.2096774 0.5000000), wk = 0.0026247 k( 289) = ( 0.2043011 0.2043011 0.5000000), wk = 0.0026247 k( 290) = ( 0.1989247 0.1989247 0.5000000), wk = 0.0026247 k( 291) = ( 0.1935484 0.1935484 0.5000000), wk = 0.0026247 k( 292) = ( 0.1881720 0.1881720 0.5000000), wk = 0.0026247 k( 293) = ( 0.1827957 0.1827957 0.5000000), wk = 0.0026247 k( 294) = ( 0.1774194 0.1774194 0.5000000), wk = 0.0026247 k( 295) = ( 0.1720430 0.1720430 0.5000000), wk = 0.0026247 k( 296) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0026247 k( 297) = ( 0.1612903 0.1612903 0.5000000), wk = 0.0026247 k( 298) = ( 0.1559140 0.1559140 0.5000000), wk = 0.0026247 k( 299) = ( 0.1505376 0.1505376 0.5000000), wk = 0.0026247 k( 300) = ( 0.1451613 0.1451613 0.5000000), wk = 0.0026247 k( 301) = ( 0.1397849 0.1397849 0.5000000), wk = 0.0026247 k( 302) = ( 0.1344086 0.1344086 0.5000000), wk = 0.0026247 k( 303) = ( 0.1290323 0.1290323 0.5000000), wk = 0.0026247 k( 304) = ( 0.1236559 0.1236559 0.5000000), wk = 0.0026247 k( 305) = ( 0.1182796 0.1182796 0.5000000), wk = 0.0026247 k( 306) = ( 0.1129032 0.1129032 0.5000000), wk = 0.0026247 k( 307) = ( 0.1075269 0.1075269 0.5000000), wk = 0.0026247 k( 308) = ( 0.1021505 0.1021505 0.5000000), wk = 0.0026247 k( 309) = ( 0.0967742 0.0967742 0.5000000), wk = 0.0026247 k( 310) = ( 0.0913979 0.0913978 0.5000000), wk = 0.0026247 k( 311) = ( 0.0860215 0.0860215 0.5000000), wk = 0.0026247 k( 312) = ( 0.0806452 0.0806452 0.5000000), wk = 0.0026247 k( 313) = ( 0.0752688 0.0752688 0.5000000), wk = 0.0026247 k( 314) = ( 0.0698925 0.0698925 0.5000000), wk = 0.0026247 k( 315) = ( 0.0645161 0.0645161 0.5000000), wk = 0.0026247 k( 316) = ( 0.0591398 0.0591398 0.5000000), wk = 0.0026247 k( 317) = ( 0.0537634 0.0537634 0.5000000), wk = 0.0026247 k( 318) = ( 0.0483871 0.0483871 0.5000000), wk = 0.0026247 k( 319) = ( 0.0430108 0.0430107 0.5000000), wk = 0.0026247 k( 320) = ( 0.0376344 0.0376344 0.5000000), wk = 0.0026247 k( 321) = ( 0.0322581 0.0322581 0.5000000), wk = 0.0026247 k( 322) = ( 0.0268817 0.0268817 0.5000000), wk = 0.0026247 k( 323) = ( 0.0215054 0.0215054 0.5000000), wk = 0.0026247 k( 324) = ( 0.0161290 0.0161290 0.5000000), wk = 0.0026247 k( 325) = ( 0.0107527 0.0107527 0.5000000), wk = 0.0026247 k( 326) = ( 0.0053763 0.0053763 0.5000000), wk = 0.0026247 k( 327) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026247 k( 328) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026247 k( 329) = ( 0.5000000 0.0000000 0.4807692), wk = 0.0026247 k( 330) = ( 0.5000000 0.0000000 0.4615385), wk = 0.0026247 k( 331) = ( 0.5000000 0.0000000 0.4423077), wk = 0.0026247 k( 332) = ( 0.5000000 0.0000000 0.4230769), wk = 0.0026247 k( 333) = ( 0.5000000 0.0000000 0.4038461), wk = 0.0026247 k( 334) = ( 0.5000000 0.0000000 0.3846154), wk = 0.0026247 k( 335) = ( 0.5000000 0.0000000 0.3653846), wk = 0.0026247 k( 336) = ( 0.5000000 0.0000000 0.3461538), wk = 0.0026247 k( 337) = ( 0.5000000 0.0000000 0.3269231), wk = 0.0026247 k( 338) = ( 0.5000000 0.0000000 0.3076923), wk = 0.0026247 k( 339) = ( 0.5000000 0.0000000 0.2884615), wk = 0.0026247 k( 340) = ( 0.5000000 0.0000000 0.2692308), wk = 0.0026247 k( 341) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0026247 k( 342) = ( 0.5000000 0.0000000 0.2307692), wk = 0.0026247 k( 343) = ( 0.5000000 0.0000000 0.2115385), wk = 0.0026247 k( 344) = ( 0.5000000 0.0000000 0.1923077), wk = 0.0026247 k( 345) = ( 0.5000000 0.0000000 0.1730769), wk = 0.0026247 k( 346) = ( 0.5000000 0.0000000 0.1538461), wk = 0.0026247 k( 347) = ( 0.5000000 0.0000000 0.1346154), wk = 0.0026247 k( 348) = ( 0.5000000 0.0000000 0.1153846), wk = 0.0026247 k( 349) = ( 0.5000000 0.0000000 0.0961538), wk = 0.0026247 k( 350) = ( 0.5000000 0.0000000 0.0769231), wk = 0.0026247 k( 351) = ( 0.5000000 0.0000000 0.0576923), wk = 0.0026247 k( 352) = ( 0.5000000 0.0000000 0.0384615), wk = 0.0026247 k( 353) = ( 0.5000000 0.0000000 0.0192308), wk = 0.0026247 k( 354) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0026247 k( 355) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0026247 k( 356) = ( 0.3333333 0.3333333 0.0192308), wk = 0.0026247 k( 357) = ( 0.3333333 0.3333333 0.0384615), wk = 0.0026247 k( 358) = ( 0.3333333 0.3333333 0.0576923), wk = 0.0026247 k( 359) = ( 0.3333333 0.3333333 0.0769231), wk = 0.0026247 k( 360) = ( 0.3333333 0.3333333 0.0961538), wk = 0.0026247 k( 361) = ( 0.3333333 0.3333333 0.1153846), wk = 0.0026247 k( 362) = ( 0.3333333 0.3333333 0.1346154), wk = 0.0026247 k( 363) = ( 0.3333333 0.3333333 0.1538461), wk = 0.0026247 k( 364) = ( 0.3333333 0.3333333 0.1730769), wk = 0.0026247 k( 365) = ( 0.3333333 0.3333333 0.1923077), wk = 0.0026247 k( 366) = ( 0.3333333 0.3333333 0.2115385), wk = 0.0026247 k( 367) = ( 0.3333333 0.3333333 0.2307692), wk = 0.0026247 k( 368) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0026247 k( 369) = ( 0.3333333 0.3333333 0.2692308), wk = 0.0026247 k( 370) = ( 0.3333333 0.3333333 0.2884615), wk = 0.0026247 k( 371) = ( 0.3333333 0.3333333 0.3076923), wk = 0.0026247 k( 372) = ( 0.3333333 0.3333333 0.3269231), wk = 0.0026247 k( 373) = ( 0.3333333 0.3333333 0.3461538), wk = 0.0026247 k( 374) = ( 0.3333333 0.3333333 0.3653846), wk = 0.0026247 k( 375) = ( 0.3333333 0.3333333 0.3846154), wk = 0.0026247 k( 376) = ( 0.3333333 0.3333333 0.4038461), wk = 0.0026247 k( 377) = ( 0.3333333 0.3333333 0.4230769), wk = 0.0026247 k( 378) = ( 0.3333333 0.3333333 0.4423077), wk = 0.0026247 k( 379) = ( 0.3333333 0.3333333 0.4615385), wk = 0.0026247 k( 380) = ( 0.3333333 0.3333333 0.4807692), wk = 0.0026247 k( 381) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026247 Dense grid: 113649 G-vectors FFT dimensions: ( 54, 54, 96) Smooth grid: 57969 G-vectors FFT dimensions: ( 45, 45, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.24 Mb ( 428, 36) NL pseudopotentials 0.38 Mb ( 214, 116) Each V/rho on FFT grid 0.13 Mb ( 8748) Each G-vector array 0.02 Mb ( 3158) G-vector shells 0.01 Mb ( 1508) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.94 Mb ( 428, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.13 Mb ( 116, 2, 36) The potential is recalculated from file : ./LiVS2.save/charge-density.dat Starting wfc are 46 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.6 secs Computing kpt #: 2 total cpu time spent up to now is 2.9 secs Computing kpt #: 3 total cpu time spent up to now is 3.3 secs Computing kpt #: 4 total cpu time spent up to now is 3.6 secs Computing kpt #: 5 total cpu time spent up to now is 4.0 secs Computing kpt #: 6 total cpu time spent up to now is 4.4 secs Computing kpt #: 7 total cpu time spent up to now is 4.7 secs Computing kpt #: 8 total cpu time spent up to now is 5.1 secs Computing kpt #: 9 total cpu time spent up to now is 5.4 secs Computing kpt #: 10 total cpu time spent up to now is 5.8 secs Computing kpt #: 11 total cpu time spent up to now is 6.2 secs Computing kpt #: 12 total cpu time spent up to now is 6.6 secs Computing kpt #: 13 total cpu time spent up to now is 6.9 secs Computing kpt #: 14 total cpu time spent up to now is 7.3 secs Computing kpt #: 15 total cpu time spent up to now is 7.7 secs Computing kpt #: 16 total cpu time spent up to now is 8.0 secs Computing kpt #: 17 total cpu time spent up to now is 8.4 secs Computing kpt #: 18 total cpu time spent up to now is 8.8 secs Computing kpt #: 19 total cpu time spent up to now is 9.1 secs Computing kpt #: 20 total cpu time spent up to now is 9.5 secs Computing kpt #: 21 total cpu time spent up to now is 9.9 secs Computing kpt #: 22 total cpu time spent up to now is 10.3 secs Computing kpt #: 23 total cpu time spent up to now is 10.6 secs Computing kpt #: 24 total cpu time spent up to now is 11.0 secs Computing kpt #: 25 total cpu time spent up to now is 11.4 secs Computing kpt #: 26 total cpu time spent up to now is 11.8 secs Computing kpt #: 27 total cpu time spent up to now is 12.1 secs Computing kpt #: 28 total cpu time spent up to now is 12.5 secs Computing kpt #: 29 total cpu time spent up to now is 12.9 secs Computing kpt #: 30 total cpu time spent up to now is 13.3 secs Computing kpt #: 31 total cpu time spent up to now is 13.7 secs Computing kpt #: 32 total cpu time spent up to now is 14.1 secs Computing kpt #: 33 total cpu time spent up to now is 14.5 secs Computing kpt #: 34 total cpu time spent up to now is 14.9 secs Computing kpt #: 35 total cpu time spent up to now is 15.2 secs Computing kpt #: 36 total cpu time spent up to now is 15.6 secs Computing kpt #: 37 total cpu time spent up to now is 16.0 secs Computing kpt #: 38 total cpu time spent up to now is 16.4 secs Computing kpt #: 39 total cpu time spent up to now is 16.8 secs Computing kpt #: 40 total cpu time spent up to now is 17.2 secs Computing kpt #: 41 total cpu time spent up to now is 17.6 secs Computing kpt #: 42 total cpu time spent up to now is 18.0 secs Computing kpt #: 43 total cpu time spent up to now is 18.4 secs Computing kpt #: 44 total cpu time spent up to now is 18.8 secs Computing kpt #: 45 total cpu time spent up to now is 19.2 secs Computing kpt #: 46 total cpu time spent up to now is 19.6 secs Computing kpt #: 47 total cpu time spent up to now is 20.0 secs Computing kpt #: 48 total cpu time spent up to now is 20.4 secs Computing kpt #: 49 total cpu time spent up to now is 20.8 secs Computing kpt #: 50 total cpu time spent up to now is 21.1 secs Computing kpt #: 51 total cpu time spent up to now is 21.5 secs Computing kpt #: 52 total cpu time spent up to now is 21.9 secs Computing kpt #: 53 total cpu time spent up to now is 22.3 secs Computing kpt #: 54 total cpu time spent up to now is 22.7 secs Computing kpt #: 55 total cpu time spent up to now is 23.1 secs Computing kpt #: 56 total cpu time spent up to now is 23.5 secs Computing kpt #: 57 total cpu time spent up to now is 23.9 secs Computing kpt #: 58 total cpu time spent up to now is 24.2 secs Computing kpt #: 59 total cpu time spent up to now is 24.6 secs Computing kpt #: 60 total cpu time spent up to now is 25.0 secs Computing kpt #: 61 total cpu time spent up to now is 25.4 secs Computing kpt #: 62 total cpu time spent up to now is 25.8 secs Computing kpt #: 63 total cpu time spent up to now is 26.2 secs Computing kpt #: 64 total cpu time spent up to now is 26.6 secs Computing kpt #: 65 total cpu time spent up to now is 27.0 secs Computing kpt #: 66 total cpu time spent up to now is 27.4 secs Computing kpt #: 67 total cpu time spent up to now is 27.8 secs Computing kpt #: 68 total cpu time spent up to now is 28.2 secs Computing kpt #: 69 total cpu time spent up to now is 28.6 secs Computing kpt #: 70 total cpu time spent up to now is 29.0 secs Computing kpt #: 71 total cpu time spent up to now is 29.3 secs Computing kpt #: 72 total cpu time spent up to now is 29.7 secs Computing kpt #: 73 total cpu time spent up to now is 30.1 secs Computing kpt #: 74 total cpu time spent up to now is 30.5 secs Computing kpt #: 75 total cpu time spent up to now is 30.9 secs Computing kpt #: 76 total cpu time spent up to now is 31.2 secs Computing kpt #: 77 total cpu time spent up to now is 31.6 secs Computing kpt #: 78 total cpu time spent up to now is 32.0 secs Computing kpt #: 79 total cpu time spent up to now is 32.3 secs Computing kpt #: 80 total cpu time spent up to now is 32.7 secs Computing kpt #: 81 total cpu time spent up to now is 33.1 secs Computing kpt #: 82 total cpu time spent up to now is 33.4 secs Computing kpt #: 83 total cpu time spent up to now is 33.8 secs Computing kpt #: 84 total cpu time spent up to now is 34.2 secs Computing kpt #: 85 total cpu time spent up to now is 34.5 secs Computing kpt #: 86 total cpu time spent up to now is 34.9 secs Computing kpt #: 87 total cpu time spent up to now is 35.2 secs Computing kpt #: 88 total cpu time spent up to now is 35.6 secs Computing kpt #: 89 total cpu time spent up to now is 35.9 secs Computing kpt #: 90 total cpu time spent up to now is 36.3 secs Computing kpt #: 91 total cpu time spent up to now is 36.7 secs Computing kpt #: 92 total cpu time spent up to now is 37.0 secs Computing kpt #: 93 total cpu time spent up to now is 37.4 secs Computing kpt #: 94 total cpu time spent up to now is 37.8 secs Computing kpt #: 95 total cpu time spent up to now is 38.1 secs Computing kpt #: 96 total cpu time spent up to now is 38.5 secs Computing kpt #: 97 total cpu time spent up to now is 38.8 secs Computing kpt #: 98 total cpu time spent up to now is 39.2 secs Computing kpt #: 99 total cpu time spent up to now is 39.6 secs Computing kpt #: 100 total cpu time spent up to now is 39.9 secs Computing kpt #: 101 total cpu time spent up to now is 40.3 secs Computing kpt #: 102 total cpu time spent up to now is 40.7 secs Computing kpt #: 103 total cpu time spent up to now is 41.0 secs Computing kpt #: 104 total cpu time spent up to now is 41.4 secs Computing kpt #: 105 total cpu time spent up to now is 41.8 secs Computing kpt #: 106 total cpu time spent up to now is 42.1 secs Computing kpt #: 107 total cpu time spent up to now is 42.5 secs Computing kpt #: 108 total cpu time spent up to now is 42.9 secs Computing kpt #: 109 total cpu time spent up to now is 43.3 secs Computing kpt #: 110 total cpu time spent up to now is 43.6 secs Computing kpt #: 111 total cpu time spent up to now is 44.0 secs Computing kpt #: 112 total cpu time spent up to now is 44.4 secs Computing kpt #: 113 total cpu time spent up to now is 44.8 secs Computing kpt #: 114 total cpu time spent up to now is 45.2 secs Computing kpt #: 115 total cpu time spent up to now is 45.6 secs Computing kpt #: 116 total cpu time spent up to now is 45.9 secs Computing kpt #: 117 total cpu time spent up to now is 46.3 secs Computing kpt #: 118 total cpu time spent up to now is 46.7 secs Computing kpt #: 119 total cpu time spent up to now is 47.1 secs Computing kpt #: 120 total cpu time spent up to now is 47.5 secs Computing kpt #: 121 total cpu time spent up to now is 47.9 secs Computing kpt #: 122 total cpu time spent up to now is 48.2 secs Computing kpt #: 123 total cpu time spent up to now is 48.6 secs Computing kpt #: 124 total cpu time spent up to now is 49.0 secs Computing kpt #: 125 total cpu time spent up to now is 49.4 secs Computing kpt #: 126 total cpu time spent up to now is 49.8 secs Computing kpt #: 127 total cpu time spent up to now is 50.1 secs Computing kpt #: 128 total cpu time spent up to now is 50.5 secs Computing kpt #: 129 total cpu time spent up to now is 50.9 secs Computing kpt #: 130 total cpu time spent up to now is 51.3 secs Computing kpt #: 131 total cpu time spent up to now is 51.6 secs Computing kpt #: 132 total cpu time spent up to now is 52.0 secs Computing kpt #: 133 total cpu time spent up to now is 52.4 secs Computing kpt #: 134 total cpu time spent up to now is 52.7 secs Computing kpt #: 135 total cpu time spent up to now is 53.1 secs Computing kpt #: 136 total cpu time spent up to now is 53.5 secs Computing kpt #: 137 total cpu time spent up to now is 53.8 secs Computing kpt #: 138 total cpu time spent up to now is 54.2 secs Computing kpt #: 139 total cpu time spent up to now is 54.6 secs Computing kpt #: 140 total cpu time spent up to now is 54.9 secs Computing kpt #: 141 total cpu time spent up to now is 55.3 secs Computing kpt #: 142 total cpu time spent up to now is 55.7 secs Computing kpt #: 143 total cpu time spent up to now is 56.0 secs Computing kpt #: 144 total cpu time spent up to now is 56.4 secs Computing kpt #: 145 total cpu time spent up to now is 56.8 secs Computing kpt #: 146 total cpu time spent up to now is 57.1 secs Computing kpt #: 147 total cpu time spent up to now is 57.5 secs Computing kpt #: 148 total cpu time spent up to now is 57.8 secs Computing kpt #: 149 total cpu time spent up to now is 58.2 secs Computing kpt #: 150 total cpu time spent up to now is 58.5 secs Computing kpt #: 151 total cpu time spent up to now is 58.8 secs Computing kpt #: 152 total cpu time spent up to now is 59.2 secs Computing kpt #: 153 total cpu time spent up to now is 59.5 secs Computing kpt #: 154 total cpu time spent up to now is 59.8 secs Computing kpt #: 155 total cpu time spent up to now is 60.2 secs Computing kpt #: 156 total cpu time spent up to now is 60.5 secs Computing kpt #: 157 total cpu time spent up to now is 60.9 secs Computing kpt #: 158 total cpu time spent up to now is 61.2 secs Computing kpt #: 159 total cpu time spent up to now is 61.6 secs Computing kpt #: 160 total cpu time spent up to now is 61.9 secs Computing kpt #: 161 total cpu time spent up to now is 62.2 secs Computing kpt #: 162 total cpu time spent up to now is 62.6 secs Computing kpt #: 163 total cpu time spent up to now is 62.9 secs Computing kpt #: 164 total cpu time spent up to now is 63.3 secs Computing kpt #: 165 total cpu time spent up to now is 63.6 secs Computing kpt #: 166 total cpu time spent up to now is 64.0 secs Computing kpt #: 167 total cpu time spent up to now is 64.3 secs Computing kpt #: 168 total cpu time spent up to now is 64.7 secs Computing kpt #: 169 total cpu time spent up to now is 65.0 secs Computing kpt #: 170 total cpu time spent up to now is 65.4 secs Computing kpt #: 171 total cpu time spent up to now is 65.7 secs Computing kpt #: 172 total cpu time spent up to now is 66.1 secs Computing kpt #: 173 total cpu time spent up to now is 66.4 secs Computing kpt #: 174 total cpu time spent up to now is 66.8 secs Computing kpt #: 175 total cpu time spent up to now is 67.1 secs Computing kpt #: 176 total cpu time spent up to now is 67.5 secs Computing kpt #: 177 total cpu time spent up to now is 67.8 secs Computing kpt #: 178 total cpu time spent up to now is 68.1 secs Computing kpt #: 179 total cpu time spent up to now is 68.5 secs Computing kpt #: 180 total cpu time spent up to now is 68.8 secs Computing kpt #: 181 total cpu time spent up to now is 69.2 secs Computing kpt #: 182 total cpu time spent up to now is 69.5 secs Computing kpt #: 183 total cpu time spent up to now is 69.9 secs Computing kpt #: 184 total cpu time spent up to now is 70.3 secs Computing kpt #: 185 total cpu time spent up to now is 70.6 secs Computing kpt #: 186 total cpu time spent up to now is 71.0 secs Computing kpt #: 187 total cpu time spent up to now is 71.4 secs Computing kpt #: 188 total cpu time spent up to now is 71.7 secs Computing kpt #: 189 total cpu time spent up to now is 72.1 secs Computing kpt #: 190 total cpu time spent up to now is 72.4 secs Computing kpt #: 191 total cpu time spent up to now is 72.8 secs Computing kpt #: 192 total cpu time spent up to now is 73.2 secs Computing kpt #: 193 total cpu time spent up to now is 73.5 secs Computing kpt #: 194 total cpu time spent up to now is 73.9 secs Computing kpt #: 195 total cpu time spent up to now is 74.3 secs Computing kpt #: 196 total cpu time spent up to now is 74.6 secs Computing kpt #: 197 total cpu time spent up to now is 75.0 secs Computing kpt #: 198 total cpu time spent up to now is 75.4 secs Computing kpt #: 199 total cpu time spent up to now is 75.7 secs Computing kpt #: 200 total cpu time spent up to now is 76.1 secs Computing kpt #: 201 total cpu time spent up to now is 76.5 secs Computing kpt #: 202 total cpu time spent up to now is 76.8 secs Computing kpt #: 203 total cpu time spent up to now is 77.2 secs Computing kpt #: 204 total cpu time spent up to now is 77.6 secs Computing kpt #: 205 total cpu time spent up to now is 78.0 secs Computing kpt #: 206 total cpu time spent up to now is 78.4 secs Computing kpt #: 207 total cpu time spent up to now is 78.8 secs Computing kpt #: 208 total cpu time spent up to now is 79.1 secs Computing kpt #: 209 total cpu time spent up to now is 79.5 secs Computing kpt #: 210 total cpu time spent up to now is 79.9 secs Computing kpt #: 211 total cpu time spent up to now is 80.3 secs Computing kpt #: 212 total cpu time spent up to now is 80.7 secs Computing kpt #: 213 total cpu time spent up to now is 81.1 secs Computing kpt #: 214 total cpu time spent up to now is 81.5 secs Computing kpt #: 215 total cpu time spent up to now is 81.9 secs Computing kpt #: 216 total cpu time spent up to now is 82.2 secs Computing kpt #: 217 total cpu time spent up to now is 82.6 secs Computing kpt #: 218 total cpu time spent up to now is 83.0 secs Computing kpt #: 219 total cpu time spent up to now is 83.4 secs Computing kpt #: 220 total cpu time spent up to now is 83.8 secs Computing kpt #: 221 total cpu time spent up to now is 84.2 secs Computing kpt #: 222 total cpu time spent up to now is 84.6 secs Computing kpt #: 223 total cpu time spent up to now is 85.0 secs Computing kpt #: 224 total cpu time spent up to now is 85.4 secs Computing kpt #: 225 total cpu time spent up to now is 85.8 secs Computing kpt #: 226 total cpu time spent up to now is 86.2 secs Computing kpt #: 227 total cpu time spent up to now is 86.6 secs Computing kpt #: 228 total cpu time spent up to now is 87.0 secs Computing kpt #: 229 total cpu time spent up to now is 87.4 secs Computing kpt #: 230 total cpu time spent up to now is 87.8 secs Computing kpt #: 231 total cpu time spent up to now is 88.2 secs Computing kpt #: 232 total cpu time spent up to now is 88.5 secs Computing kpt #: 233 total cpu time spent up to now is 88.9 secs Computing kpt #: 234 total cpu time spent up to now is 89.3 secs Computing kpt #: 235 total cpu time spent up to now is 89.7 secs Computing kpt #: 236 total cpu time spent up to now is 90.1 secs Computing kpt #: 237 total cpu time spent up to now is 90.5 secs Computing kpt #: 238 total cpu time spent up to now is 90.9 secs Computing kpt #: 239 total cpu time spent up to now is 91.3 secs Computing kpt #: 240 total cpu time spent up to now is 91.6 secs Computing kpt #: 241 total cpu time spent up to now is 92.0 secs Computing kpt #: 242 total cpu time spent up to now is 92.4 secs Computing kpt #: 243 total cpu time spent up to now is 92.9 secs Computing kpt #: 244 total cpu time spent up to now is 93.4 secs Computing kpt #: 245 total cpu time spent up to now is 93.8 secs Computing kpt #: 246 total cpu time spent up to now is 94.4 secs Computing kpt #: 247 total cpu time spent up to now is 94.8 secs Computing kpt #: 248 total cpu time spent up to now is 95.2 secs Computing kpt #: 249 total cpu time spent up to now is 95.6 secs Computing kpt #: 250 total cpu time spent up to now is 96.0 secs Computing kpt #: 251 total cpu time spent up to now is 96.4 secs Computing kpt #: 252 total cpu time spent up to now is 96.7 secs Computing kpt #: 253 total cpu time spent up to now is 97.1 secs Computing kpt #: 254 total cpu time spent up to now is 97.5 secs Computing kpt #: 255 total cpu time spent up to now is 97.9 secs Computing kpt #: 256 total cpu time spent up to now is 98.3 secs Computing kpt #: 257 total cpu time spent up to now is 98.7 secs Computing kpt #: 258 total cpu time spent up to now is 99.0 secs Computing kpt #: 259 total cpu time spent up to now is 99.4 secs Computing kpt #: 260 total cpu time spent up to now is 99.8 secs Computing kpt #: 261 total cpu time spent up to now is 100.2 secs Computing kpt #: 262 total cpu time spent up to now is 100.5 secs Computing kpt #: 263 total cpu time spent up to now is 100.9 secs Computing kpt #: 264 total cpu time spent up to now is 101.2 secs Computing kpt #: 265 total cpu time spent up to now is 101.6 secs Computing kpt #: 266 total cpu time spent up to now is 102.0 secs Computing kpt #: 267 total cpu time spent up to now is 102.4 secs Computing kpt #: 268 total cpu time spent up to now is 102.7 secs Computing kpt #: 269 total cpu time spent up to now is 103.1 secs Computing kpt #: 270 total cpu time spent up to now is 103.5 secs Computing kpt #: 271 total cpu time spent up to now is 103.8 secs Computing kpt #: 272 total cpu time spent up to now is 104.2 secs Computing kpt #: 273 total cpu time spent up to now is 104.6 secs Computing kpt #: 274 total cpu time spent up to now is 105.0 secs Computing kpt #: 275 total cpu time spent up to now is 105.4 secs Computing kpt #: 276 total cpu time spent up to now is 105.8 secs Computing kpt #: 277 total cpu time spent up to now is 106.1 secs Computing kpt #: 278 total cpu time spent up to now is 106.5 secs Computing kpt #: 279 total cpu time spent up to now is 106.9 secs Computing kpt #: 280 total cpu time spent up to now is 107.3 secs Computing kpt #: 281 total cpu time spent up to now is 107.7 secs Computing kpt #: 282 total cpu time spent up to now is 108.1 secs Computing kpt #: 283 total cpu time spent up to now is 108.5 secs Computing kpt #: 284 total cpu time spent up to now is 108.9 secs Computing kpt #: 285 total cpu time spent up to now is 109.3 secs Computing kpt #: 286 total cpu time spent up to now is 109.7 secs Computing kpt #: 287 total cpu time spent up to now is 110.1 secs Computing kpt #: 288 total cpu time spent up to now is 110.5 secs Computing kpt #: 289 total cpu time spent up to now is 110.9 secs Computing kpt #: 290 total cpu time spent up to now is 111.3 secs Computing kpt #: 291 total cpu time spent up to now is 111.7 secs Computing kpt #: 292 total cpu time spent up to now is 112.1 secs Computing kpt #: 293 total cpu time spent up to now is 112.5 secs Computing kpt #: 294 total cpu time spent up to now is 112.9 secs Computing kpt #: 295 total cpu time spent up to now is 113.3 secs Computing kpt #: 296 total cpu time spent up to now is 113.7 secs Computing kpt #: 297 total cpu time spent up to now is 114.1 secs Computing kpt #: 298 total cpu time spent up to now is 114.5 secs Computing kpt #: 299 total cpu time spent up to now is 114.9 secs Computing kpt #: 300 total cpu time spent up to now is 115.3 secs Computing kpt #: 301 total cpu time spent up to now is 115.7 secs Computing kpt #: 302 total cpu time spent up to now is 116.1 secs Computing kpt #: 303 total cpu time spent up to now is 116.4 secs Computing kpt #: 304 total cpu time spent up to now is 116.8 secs Computing kpt #: 305 total cpu time spent up to now is 117.2 secs Computing kpt #: 306 total cpu time spent up to now is 117.6 secs Computing kpt #: 307 total cpu time spent up to now is 118.0 secs Computing kpt #: 308 total cpu time spent up to now is 118.3 secs Computing kpt #: 309 total cpu time spent up to now is 118.7 secs Computing kpt #: 310 total cpu time spent up to now is 119.1 secs Computing kpt #: 311 total cpu time spent up to now is 119.5 secs Computing kpt #: 312 total cpu time spent up to now is 119.8 secs Computing kpt #: 313 total cpu time spent up to now is 120.2 secs Computing kpt #: 314 total cpu time spent up to now is 120.6 secs Computing kpt #: 315 total cpu time spent up to now is 120.9 secs Computing kpt #: 316 total cpu time spent up to now is 121.3 secs Computing kpt #: 317 total cpu time spent up to now is 121.7 secs Computing kpt #: 318 total cpu time spent up to now is 122.0 secs Computing kpt #: 319 total cpu time spent up to now is 122.4 secs Computing kpt #: 320 total cpu time spent up to now is 122.7 secs Computing kpt #: 321 total cpu time spent up to now is 123.1 secs Computing kpt #: 322 total cpu time spent up to now is 123.5 secs Computing kpt #: 323 total cpu time spent up to now is 123.8 secs Computing kpt #: 324 total cpu time spent up to now is 124.2 secs Computing kpt #: 325 total cpu time spent up to now is 124.5 secs Computing kpt #: 326 total cpu time spent up to now is 124.9 secs Computing kpt #: 327 total cpu time spent up to now is 125.2 secs Computing kpt #: 328 total cpu time spent up to now is 125.6 secs Computing kpt #: 329 total cpu time spent up to now is 126.0 secs Computing kpt #: 330 total cpu time spent up to now is 126.4 secs Computing kpt #: 331 total cpu time spent up to now is 126.8 secs Computing kpt #: 332 total cpu time spent up to now is 127.2 secs Computing kpt #: 333 total cpu time spent up to now is 127.5 secs Computing kpt #: 334 total cpu time spent up to now is 127.9 secs Computing kpt #: 335 total cpu time spent up to now is 128.3 secs Computing kpt #: 336 total cpu time spent up to now is 128.7 secs Computing kpt #: 337 total cpu time spent up to now is 129.1 secs Computing kpt #: 338 total cpu time spent up to now is 129.5 secs Computing kpt #: 339 total cpu time spent up to now is 129.9 secs Computing kpt #: 340 total cpu time spent up to now is 130.3 secs Computing kpt #: 341 total cpu time spent up to now is 130.7 secs Computing kpt #: 342 total cpu time spent up to now is 131.2 secs Computing kpt #: 343 total cpu time spent up to now is 131.6 secs Computing kpt #: 344 total cpu time spent up to now is 132.0 secs Computing kpt #: 345 total cpu time spent up to now is 132.4 secs Computing kpt #: 346 total cpu time spent up to now is 132.8 secs Computing kpt #: 347 total cpu time spent up to now is 133.2 secs Computing kpt #: 348 total cpu time spent up to now is 133.6 secs Computing kpt #: 349 total cpu time spent up to now is 133.9 secs Computing kpt #: 350 total cpu time spent up to now is 134.3 secs Computing kpt #: 351 total cpu time spent up to now is 134.7 secs Computing kpt #: 352 total cpu time spent up to now is 135.1 secs Computing kpt #: 353 total cpu time spent up to now is 135.5 secs Computing kpt #: 354 total cpu time spent up to now is 135.9 secs Computing kpt #: 355 total cpu time spent up to now is 136.2 secs Computing kpt #: 356 total cpu time spent up to now is 136.6 secs Computing kpt #: 357 total cpu time spent up to now is 136.9 secs Computing kpt #: 358 total cpu time spent up to now is 137.3 secs Computing kpt #: 359 total cpu time spent up to now is 137.7 secs Computing kpt #: 360 total cpu time spent up to now is 138.0 secs Computing kpt #: 361 total cpu time spent up to now is 138.4 secs Computing kpt #: 362 total cpu time spent up to now is 138.7 secs Computing kpt #: 363 total cpu time spent up to now is 139.1 secs Computing kpt #: 364 total cpu time spent up to now is 139.5 secs Computing kpt #: 365 total cpu time spent up to now is 139.8 secs Computing kpt #: 366 total cpu time spent up to now is 140.3 secs Computing kpt #: 367 total cpu time spent up to now is 140.6 secs Computing kpt #: 368 total cpu time spent up to now is 141.0 secs Computing kpt #: 369 total cpu time spent up to now is 141.3 secs Computing kpt #: 370 total cpu time spent up to now is 141.7 secs Computing kpt #: 371 total cpu time spent up to now is 142.1 secs Computing kpt #: 372 total cpu time spent up to now is 142.4 secs Computing kpt #: 373 total cpu time spent up to now is 142.8 secs Computing kpt #: 374 total cpu time spent up to now is 143.1 secs Computing kpt #: 375 total cpu time spent up to now is 143.5 secs Computing kpt #: 376 total cpu time spent up to now is 143.9 secs Computing kpt #: 377 total cpu time spent up to now is 144.2 secs Computing kpt #: 378 total cpu time spent up to now is 144.6 secs Computing kpt #: 379 total cpu time spent up to now is 145.0 secs Computing kpt #: 380 total cpu time spent up to now is 145.3 secs Computing kpt #: 381 total cpu time spent up to now is 145.7 secs ethr = 3.57E-08, avg # of iterations = 12.0 total cpu time spent up to now is 145.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7279 PWs) bands (ev): -55.7743 -55.7743 -37.0144 -37.0144 -30.1511 -30.1511 -29.3660 -29.3660 -29.2555 -29.2555 -5.5247 -5.5247 -4.2408 -4.2408 2.6875 2.6875 5.8098 5.8098 5.8337 5.8337 7.2202 7.2202 8.2181 8.2181 8.2899 8.2899 8.7854 8.7854 8.7963 8.7963 8.8433 8.8433 11.3570 11.3570 11.3782 11.3782 k = 0.0093 0.0053-0.0000 ( 7283 PWs) bands (ev): -55.7743 -55.7743 -37.0144 -37.0144 -30.1511 -30.1511 -29.3660 -29.3660 -29.2555 -29.2555 -5.5237 -5.5237 -4.2403 -4.2403 2.6886 2.6886 5.8077 5.8077 5.8319 5.8319 7.2225 7.2225 8.2082 8.2082 8.2793 8.2793 8.7906 8.7906 8.8017 8.8017 8.8470 8.8470 11.3543 11.3543 11.3758 11.3758 k = 0.0185 0.0107-0.0000 ( 7271 PWs) bands (ev): -55.7743 -55.7743 -37.0144 -37.0144 -30.1512 -30.1512 -29.3661 -29.3661 -29.2555 -29.2555 -5.5208 -5.5208 -4.2388 -4.2388 2.6920 2.6920 5.7996 5.7996 5.8287 5.8287 7.2294 7.2294 8.1781 8.1781 8.2510 8.2510 8.8000 8.8000 8.8181 8.8181 8.8606 8.8606 11.3445 11.3445 11.3703 11.3703 k = 0.0278 0.0160-0.0000 ( 7267 PWs) bands (ev): -55.7742 -55.7742 -37.0144 -37.0144 -30.1513 -30.1513 -29.3663 -29.3663 -29.2555 -29.2555 -5.5158 -5.5158 -4.2364 -4.2364 2.6977 2.6977 5.7829 5.7829 5.8270 5.8270 7.2405 7.2405 8.1278 8.1278 8.2123 8.2123 8.8049 8.8049 8.8448 8.8448 8.8867 8.8867 11.3253 11.3253 11.3647 11.3647 k = 0.0370 0.0214-0.0000 ( 7251 PWs) bands (ev): -55.7742 -55.7742 -37.0143 -37.0143 -30.1515 -30.1515 -29.3666 -29.3666 -29.2555 -29.2555 -5.5089 -5.5089 -4.2330 -4.2330 2.7056 2.7056 5.7579 5.7579 5.8270 5.8270 7.2549 7.2549 8.0598 8.0598 8.1685 8.1685 8.8051 8.8051 8.8782 8.8782 8.9216 8.9216 11.2978 11.2978 11.3593 11.3593 k = 0.0463 0.0267-0.0000 ( 7251 PWs) bands (ev): -55.7741 -55.7741 -37.0143 -37.0143 -30.1517 -30.1517 -29.3670 -29.3670 -29.2555 -29.2555 -5.4999 -5.4999 -4.2286 -4.2286 2.7158 2.7158 5.7259 5.7259 5.8281 5.8281 7.2719 7.2719 7.9780 7.9780 8.1212 8.1212 8.8025 8.8025 8.9159 8.9159 8.9605 8.9605 11.2636 11.2636 11.3535 11.3535 k = 0.0556 0.0321-0.0000 ( 7245 PWs) bands (ev): -55.7741 -55.7741 -37.0142 -37.0142 -30.1520 -30.1520 -29.3674 -29.3674 -29.2555 -29.2555 -5.4891 -5.4891 -4.2233 -4.2233 2.7281 2.7281 5.6881 5.6881 5.8299 5.8299 7.2905 7.2905 7.8860 7.8860 8.0713 8.0713 8.7981 8.7981 8.9561 8.9561 9.0007 9.0007 11.2246 11.2246 11.3471 11.3471 k = 0.0648 0.0374-0.0000 ( 7250 PWs) bands (ev): -55.7740 -55.7740 -37.0142 -37.0142 -30.1523 -30.1523 -29.3679 -29.3679 -29.2555 -29.2555 -5.4763 -5.4763 -4.2171 -4.2171 2.7427 2.7427 5.6452 5.6452 5.8321 5.8321 7.3094 7.3094 7.7864 7.7864 8.0193 8.0193 8.7922 8.7922 8.9975 8.9975 9.0405 9.0405 11.1824 11.1824 11.3403 11.3403 k = 0.0741 0.0428-0.0000 ( 7242 PWs) bands (ev): -55.7739 -55.7739 -37.0141 -37.0141 -30.1527 -30.1527 -29.3685 -29.3685 -29.2555 -29.2555 -5.4616 -5.4616 -4.2099 -4.2099 2.7596 2.7596 5.5982 5.5982 5.8347 5.8347 7.3270 7.3270 7.6813 7.6813 7.9658 7.9658 8.7850 8.7850 9.0391 9.0391 9.0795 9.0795 11.1383 11.1383 11.3330 11.3330 k = 0.0833 0.0481-0.0000 ( 7238 PWs) bands (ev): -55.7738 -55.7738 -37.0141 -37.0141 -30.1531 -30.1531 -29.3692 -29.3692 -29.2556 -29.2556 -5.4449 -5.4449 -4.2018 -4.2018 2.7785 2.7785 5.5476 5.5476 5.8377 5.8377 7.3405 7.3405 7.5736 7.5736 7.9113 7.9113 8.7765 8.7765 9.0803 9.0803 9.1172 9.1172 11.0939 11.0939 11.3257 11.3257 k = 0.0926 0.0535-0.0000 ( 7238 PWs) bands (ev): -55.7737 -55.7737 -37.0140 -37.0140 -30.1535 -30.1535 -29.3700 -29.3700 -29.2556 -29.2556 -5.4264 -5.4264 -4.1929 -4.1929 2.7997 2.7997 5.4942 5.4942 5.8409 5.8409 7.3396 7.3396 7.4737 7.4737 7.8563 7.8563 8.7667 8.7667 9.1204 9.1204 9.1537 9.1537 11.0503 11.0503 11.3183 11.3183 k = 0.1019 0.0588-0.0000 ( 7234 PWs) bands (ev): -55.7736 -55.7736 -37.0139 -37.0139 -30.1540 -30.1540 -29.3708 -29.3708 -29.2556 -29.2556 -5.4061 -5.4061 -4.1831 -4.1831 2.8230 2.8230 5.4384 5.4384 5.8443 5.8443 7.2848 7.2848 7.4210 7.4210 7.8010 7.8010 8.7558 8.7558 9.1590 9.1590 9.1891 9.1891 11.0089 11.0089 11.3113 11.3113 k = 0.1111 0.0642-0.0000 ( 7238 PWs) bands (ev): -55.7735 -55.7735 -37.0139 -37.0139 -30.1546 -30.1546 -29.3717 -29.3717 -29.2556 -29.2556 -5.3839 -5.3839 -4.1725 -4.1725 2.8483 2.8483 5.3807 5.3807 5.8480 5.8480 7.1766 7.1766 7.4145 7.4145 7.7458 7.7458 8.7436 8.7436 9.1957 9.1957 9.2235 9.2235 10.9706 10.9706 11.3047 11.3047 k = 0.1204 0.0695-0.0000 ( 7236 PWs) bands (ev): -55.7734 -55.7734 -37.0138 -37.0138 -30.1552 -30.1552 -29.3726 -29.3726 -29.2557 -29.2557 -5.3599 -5.3599 -4.1611 -4.1611 2.8758 2.8758 5.3216 5.3216 5.8517 5.8517 7.0536 7.0536 7.4158 7.4158 7.6910 7.6910 8.7302 8.7302 9.2303 9.2303 9.2570 9.2570 10.9363 10.9363 11.2988 11.2988 k = 0.1296 0.0748-0.0000 ( 7240 PWs) bands (ev): -55.7732 -55.7732 -37.0137 -37.0137 -30.1558 -30.1558 -29.3736 -29.3736 -29.2557 -29.2557 -5.3342 -5.3342 -4.1489 -4.1489 2.9053 2.9053 5.2613 5.2613 5.8556 5.8556 6.9252 6.9252 7.4152 7.4152 7.6367 7.6367 8.7157 8.7157 9.2629 9.2629 9.2895 9.2895 10.9068 10.9068 11.2938 11.2938 k = 0.1389 0.0802-0.0000 ( 7256 PWs) bands (ev): -55.7731 -55.7731 -37.0136 -37.0136 -30.1564 -30.1564 -29.3747 -29.3747 -29.2557 -29.2557 -5.3068 -5.3068 -4.1360 -4.1360 2.9367 2.9367 5.2001 5.2001 5.8594 5.8594 6.7938 6.7938 7.4102 7.4102 7.5833 7.5833 8.7002 8.7002 9.2938 9.2938 9.3208 9.3208 10.8828 10.8828 11.2899 11.2899 k = 0.1481 0.0855-0.0000 ( 7256 PWs) bands (ev): -55.7730 -55.7730 -37.0135 -37.0135 -30.1571 -30.1571 -29.3758 -29.3758 -29.2557 -29.2557 -5.2777 -5.2777 -4.1225 -4.1225 2.9702 2.9702 5.1383 5.1383 5.8632 5.8632 6.6603 6.6603 7.3997 7.3997 7.5312 7.5312 8.6838 8.6838 9.3232 9.3232 9.3506 9.3506 10.8647 10.8647 11.2872 11.2872 k = 0.1574 0.0909-0.0000 ( 7248 PWs) bands (ev): -55.7728 -55.7728 -37.0134 -37.0134 -30.1579 -30.1579 -29.3770 -29.3770 -29.2557 -29.2557 -5.2470 -5.2470 -4.1082 -4.1082 3.0055 3.0055 5.0762 5.0762 5.8670 5.8670 6.5254 6.5254 7.3827 7.3827 7.4806 7.4806 8.6667 8.6667 9.3513 9.3513 9.3789 9.3789 10.8527 10.8527 11.2859 11.2859 k = 0.1667 0.0962-0.0000 ( 7254 PWs) bands (ev): -55.7726 -55.7726 -37.0133 -37.0133 -30.1586 -30.1586 -29.3782 -29.3782 -29.2558 -29.2558 -5.2148 -5.2148 -4.0934 -4.0934 3.0426 3.0426 5.0139 5.0139 5.8705 5.8705 6.3898 6.3898 7.3585 7.3585 7.4324 7.4324 8.6490 8.6490 9.3782 9.3782 9.4057 9.4057 10.8471 10.8471 11.2859 11.2859 k = 0.1759 0.1016-0.0000 ( 7254 PWs) bands (ev): -55.7725 -55.7725 -37.0132 -37.0132 -30.1594 -30.1594 -29.3794 -29.3794 -29.2558 -29.2558 -5.1810 -5.1810 -4.0780 -4.0780 3.0816 3.0816 4.9516 4.9516 5.8739 5.8739 6.2538 6.2538 7.3269 7.3269 7.3866 7.3866 8.6311 8.6311 9.4038 9.4038 9.4311 9.4311 10.8477 10.8477 11.2875 11.2875 k = 0.1852 0.1069-0.0000 ( 7256 PWs) bands (ev): -55.7723 -55.7723 -37.0131 -37.0131 -30.1602 -30.1602 -29.3807 -29.3807 -29.2558 -29.2558 -5.1457 -5.1457 -4.0621 -4.0621 3.1222 3.1222 4.8894 4.8894 5.8770 5.8770 6.1179 6.1179 7.2886 7.2886 7.3426 7.3426 8.6129 8.6129 9.4279 9.4279 9.4557 9.4557 10.8544 10.8544 11.2905 11.2905 k = 0.1944 0.1123-0.0000 ( 7244 PWs) bands (ev): -55.7721 -55.7721 -37.0129 -37.0129 -30.1610 -30.1610 -29.3820 -29.3820 -29.2558 -29.2558 -5.1091 -5.1091 -4.0458 -4.0458 3.1645 3.1645 4.8274 4.8274 5.8798 5.8798 5.9825 5.9825 7.2459 7.2459 7.2986 7.2986 8.5948 8.5948 9.4500 9.4500 9.4800 9.4800 10.8668 10.8668 11.2950 11.2950 k = 0.2037 0.1176-0.0000 ( 7242 PWs) bands (ev): -55.7719 -55.7719 -37.0128 -37.0128 -30.1619 -30.1619 -29.3834 -29.3834 -29.2558 -29.2558 -5.0711 -5.0711 -4.0290 -4.0290 3.2084 3.2084 4.7656 4.7656 5.8476 5.8476 5.8826 5.8826 7.2006 7.2006 7.2529 7.2529 8.5769 8.5769 9.4697 9.4697 9.5045 9.5045 10.8847 10.8847 11.3009 11.3009 k = 0.2130 0.1230-0.0000 ( 7238 PWs) bands (ev): -55.7718 -55.7718 -37.0127 -37.0127 -30.1627 -30.1627 -29.3848 -29.3848 -29.2558 -29.2558 -5.0319 -5.0319 -4.0120 -4.0120 3.2537 3.2537 4.7041 4.7041 5.7146 5.7146 5.8844 5.8844 7.1534 7.1534 7.2051 7.2051 8.5594 8.5594 9.4870 9.4870 9.5295 9.5295 10.9073 10.9073 11.3081 11.3081 k = 0.2222 0.1283-0.0000 ( 7246 PWs) bands (ev): -55.7716 -55.7716 -37.0126 -37.0126 -30.1636 -30.1636 -29.3862 -29.3862 -29.2558 -29.2558 -4.9915 -4.9915 -3.9946 -3.9946 3.3004 3.3004 4.6430 4.6430 5.5832 5.5832 5.8859 5.8859 7.1040 7.1040 7.1565 7.1565 8.5423 8.5423 9.5022 9.5022 9.5550 9.5550 10.9343 10.9343 11.3166 11.3166 k = 0.2315 0.1336-0.0000 ( 7250 PWs) bands (ev): -55.7714 -55.7714 -37.0125 -37.0125 -30.1645 -30.1645 -29.3876 -29.3876 -29.2558 -29.2558 -4.9500 -4.9500 -3.9771 -3.9771 3.3483 3.3483 4.5821 4.5821 5.4539 5.4539 5.8869 5.8869 7.0509 7.0509 7.1088 7.1088 8.5257 8.5257 9.5155 9.5155 9.5809 9.5809 10.9649 10.9649 11.3262 11.3262 k = 0.2407 0.1390-0.0000 ( 7252 PWs) bands (ev): -55.7712 -55.7712 -37.0123 -37.0123 -30.1654 -30.1654 -29.3890 -29.3890 -29.2558 -29.2558 -4.9075 -4.9075 -3.9594 -3.9594 3.3972 3.3972 4.5215 4.5215 5.3274 5.3274 5.8873 5.8873 6.9930 6.9930 7.0637 7.0637 8.5097 8.5097 9.5271 9.5271 9.6070 9.6070 10.9986 10.9986 11.3368 11.3368 k = 0.2500 0.1443-0.0000 ( 7258 PWs) bands (ev): -55.7710 -55.7710 -37.0122 -37.0122 -30.1663 -30.1663 -29.3904 -29.3904 -29.2558 -29.2558 -4.8641 -4.8641 -3.9417 -3.9417 3.4471 3.4471 4.4610 4.4610 5.2041 5.2041 5.8871 5.8871 6.9303 6.9303 7.0217 7.0217 8.4942 8.4942 9.5374 9.5374 9.6332 9.6332 11.0347 11.0347 11.3483 11.3483 k = 0.2593 0.1497-0.0000 ( 7250 PWs) bands (ev): -55.7708 -55.7708 -37.0121 -37.0121 -30.1672 -30.1672 -29.3919 -29.3919 -29.2558 -29.2558 -4.8198 -4.8198 -3.9241 -3.9241 3.4975 3.4975 4.4005 4.4005 5.0847 5.0847 5.8863 5.8863 6.8638 6.8638 6.9826 6.9826 8.4794 8.4794 9.5465 9.5465 9.6595 9.6595 11.0726 11.0726 11.3605 11.3605 k = 0.2685 0.1550-0.0000 ( 7246 PWs) bands (ev): -55.7706 -55.7706 -37.0120 -37.0120 -30.1681 -30.1681 -29.3933 -29.3933 -29.2558 -29.2558 -4.7749 -4.7749 -3.9065 -3.9065 3.5481 3.5481 4.3401 4.3401 4.9697 4.9697 5.8849 5.8849 6.7942 6.7942 6.9460 6.9460 8.4652 8.4652 9.5547 9.5547 9.6858 9.6858 11.1116 11.1116 11.3732 11.3732 k = 0.2778 0.1604-0.0000 ( 7246 PWs) bands (ev): -55.7704 -55.7704 -37.0118 -37.0118 -30.1690 -30.1690 -29.3947 -29.3947 -29.2557 -29.2557 -4.7293 -4.7293 -3.8891 -3.8891 3.5983 3.5983 4.2798 4.2798 4.8601 4.8601 5.8827 5.8827 6.7224 6.7224 6.9117 6.9117 8.4516 8.4516 9.5620 9.5620 9.7121 9.7121 11.1510 11.1510 11.3863 11.3863 k = 0.2870 0.1657-0.0000 ( 7254 PWs) bands (ev): -55.7702 -55.7702 -37.0117 -37.0117 -30.1699 -30.1699 -29.3961 -29.3961 -29.2557 -29.2557 -4.6832 -4.6832 -3.8721 -3.8721 3.6471 3.6471 4.2199 4.2199 4.7565 4.7565 5.8799 5.8799 6.6490 6.6490 6.8794 6.8794 8.4387 8.4387 9.5688 9.5688 9.7381 9.7381 11.1902 11.1902 11.3998 11.3998 k = 0.2963 0.1711-0.0000 ( 7244 PWs) bands (ev): -55.7701 -55.7701 -37.0116 -37.0116 -30.1708 -30.1708 -29.3975 -29.3975 -29.2557 -29.2557 -4.6367 -4.6367 -3.8554 -3.8554 3.6926 3.6926 4.1620 4.1620 4.6598 4.6598 5.8765 5.8765 6.5744 6.5744 6.8492 6.8492 8.4263 8.4263 9.5750 9.5750 9.7640 9.7640 11.2287 11.2287 11.4134 11.4134 k = 0.3056 0.1764-0.0000 ( 7236 PWs) bands (ev): -55.7699 -55.7699 -37.0115 -37.0115 -30.1717 -30.1717 -29.3988 -29.3988 -29.2557 -29.2557 -4.5900 -4.5900 -3.8391 -3.8391 3.7307 3.7307 4.1095 4.1095 4.5704 4.5704 5.8725 5.8725 6.4990 6.4990 6.8209 6.8209 8.4145 8.4145 9.5808 9.5808 9.7895 9.7895 11.2656 11.2656 11.4270 11.4270 k = 0.3148 0.1818-0.0000 ( 7228 PWs) bands (ev): -55.7697 -55.7697 -37.0113 -37.0113 -30.1725 -30.1725 -29.4001 -29.4001 -29.2556 -29.2556 -4.5432 -4.5432 -3.8235 -3.8235 3.7539 3.7539 4.0699 4.0699 4.4888 4.4888 5.8678 5.8678 6.4234 6.4234 6.7945 6.7945 8.4033 8.4033 9.5864 9.5864 9.8145 9.8145 11.3007 11.3007 11.4405 11.4405 k = 0.3241 0.1871-0.0000 ( 7226 PWs) bands (ev): -55.7695 -55.7695 -37.0112 -37.0112 -30.1734 -30.1734 -29.4014 -29.4014 -29.2556 -29.2556 -4.4963 -4.4963 -3.8085 -3.8085 3.7509 3.7509 4.0545 4.0545 4.4151 4.4151 5.8626 5.8626 6.3477 6.3477 6.7700 6.7700 8.3927 8.3927 9.5917 9.5917 9.8390 9.8390 11.3332 11.3332 11.4538 11.4538 k = 0.3333 0.1925-0.0000 ( 7226 PWs) bands (ev): -55.7694 -55.7694 -37.0111 -37.0111 -30.1742 -30.1742 -29.4027 -29.4027 -29.2556 -29.2556 -4.4497 -4.4497 -3.7944 -3.7944 3.7178 3.7178 4.0676 4.0676 4.3491 4.3491 5.8570 5.8570 6.2723 6.2723 6.7473 6.7473 8.3827 8.3827 9.5969 9.5969 9.8629 9.8629 11.3628 11.3628 11.4669 11.4669 k = 0.3426 0.1978-0.0000 ( 7226 PWs) bands (ev): -55.7692 -55.7692 -37.0110 -37.0110 -30.1750 -30.1750 -29.4039 -29.4039 -29.2556 -29.2556 -4.4033 -4.4033 -3.7811 -3.7811 3.6634 3.6634 4.1008 4.1008 4.2905 4.2905 5.8509 5.8509 6.1975 6.1975 6.7263 6.7263 8.3732 8.3732 9.6019 9.6019 9.8860 9.8860 11.3891 11.3891 11.4795 11.4795 k = 0.3519 0.2031-0.0000 ( 7236 PWs) bands (ev): -55.7690 -55.7690 -37.0109 -37.0109 -30.1757 -30.1757 -29.4050 -29.4050 -29.2555 -29.2555 -4.3573 -4.3573 -3.7688 -3.7688 3.5980 3.5980 4.1430 4.1430 4.2403 4.2403 5.8445 5.8445 6.1234 6.1234 6.7070 6.7070 8.3643 8.3643 9.6069 9.6069 9.9082 9.9082 11.4119 11.4119 11.4918 11.4918 k = 0.3611 0.2085-0.0000 ( 7236 PWs) bands (ev): -55.7689 -55.7689 -37.0108 -37.0108 -30.1765 -30.1765 -29.4061 -29.4061 -29.2555 -29.2555 -4.3120 -4.3120 -3.7577 -3.7577 3.5279 3.5279 4.1681 4.1681 4.2184 4.2184 5.8379 5.8379 6.0502 6.0502 6.6893 6.6893 8.3559 8.3559 9.6117 9.6117 9.9294 9.9294 11.4310 11.4310 11.5035 11.5035 k = 0.3704 0.2138-0.0000 ( 7240 PWs) bands (ev): -55.7687 -55.7687 -37.0107 -37.0107 -30.1772 -30.1772 -29.4072 -29.4072 -29.2555 -29.2555 -4.2674 -4.2674 -3.7477 -3.7477 3.4565 3.4565 4.1378 4.1378 4.2598 4.2598 5.8310 5.8310 5.9781 5.9781 6.6731 6.6731 8.3481 8.3481 9.6165 9.6165 9.9495 9.9495 11.4464 11.4464 11.5146 11.5146 k = 0.3796 0.2192-0.0000 ( 7240 PWs) bands (ev): -55.7686 -55.7686 -37.0106 -37.0106 -30.1778 -30.1778 -29.4082 -29.4082 -29.2554 -29.2554 -4.2237 -4.2237 -3.7392 -3.7392 3.3859 3.3859 4.1012 4.1012 4.3138 4.3138 5.8238 5.8238 5.9075 5.9075 6.6584 6.6584 8.3409 8.3409 9.6212 9.6212 9.9684 9.9684 11.4583 11.4583 11.5251 11.5251 k = 0.3889 0.2245-0.0000 ( 7238 PWs) bands (ev): -55.7685 -55.7685 -37.0105 -37.0105 -30.1785 -30.1785 -29.4091 -29.4091 -29.2554 -29.2554 -4.1810 -4.1810 -3.7320 -3.7320 3.3175 3.3175 4.0671 4.0671 4.3701 4.3701 5.8145 5.8145 5.8403 5.8403 6.6452 6.6452 8.3342 8.3342 9.6257 9.6257 9.9859 9.9859 11.4668 11.4668 11.5350 11.5350 k = 0.3981 0.2299-0.0000 ( 7236 PWs) bands (ev): -55.7684 -55.7684 -37.0105 -37.0105 -30.1790 -30.1790 -29.4100 -29.4100 -29.2554 -29.2554 -4.1396 -4.1396 -3.7264 -3.7264 3.2521 3.2521 4.0362 4.0362 4.4273 4.4273 5.7666 5.7666 5.8133 5.8133 6.6332 6.6332 8.3280 8.3280 9.6301 9.6301 10.0021 10.0021 11.4723 11.4723 11.5442 11.5442 k = 0.4074 0.2352-0.0000 ( 7240 PWs) bands (ev): -55.7683 -55.7683 -37.0104 -37.0104 -30.1796 -30.1796 -29.4108 -29.4108 -29.2554 -29.2554 -4.0996 -4.0996 -3.7225 -3.7225 3.1906 3.1906 4.0084 4.0084 4.4849 4.4849 5.7005 5.7005 5.8059 5.8059 6.6225 6.6225 8.3224 8.3224 9.6343 9.6343 10.0169 10.0169 11.4752 11.4752 11.5526 11.5526 k = 0.4167 0.2406-0.0000 ( 7236 PWs) bands (ev): -55.7682 -55.7682 -37.0103 -37.0103 -30.1801 -30.1801 -29.4116 -29.4116 -29.2553 -29.2553 -4.0611 -4.0611 -3.7204 -3.7204 3.1336 3.1336 3.9836 3.9836 4.5425 4.5425 5.6350 5.6350 5.7997 5.7997 6.6131 6.6131 8.3173 8.3173 9.6383 9.6383 10.0301 10.0301 11.4759 11.4759 11.5603 11.5603 k = 0.4259 0.2459-0.0000 ( 7232 PWs) bands (ev): -55.7681 -55.7681 -37.0103 -37.0103 -30.1805 -30.1805 -29.4122 -29.4122 -29.2553 -29.2553 -4.0243 -4.0243 -3.7201 -3.7201 3.0814 3.0814 3.9617 3.9617 4.6001 4.6001 5.5709 5.5709 5.7939 5.7939 6.6048 6.6048 8.3127 8.3127 9.6420 9.6420 10.0419 10.0419 11.4751 11.4751 11.5672 11.5672 k = 0.4352 0.2513-0.0000 ( 7230 PWs) bands (ev): -55.7680 -55.7680 -37.0102 -37.0102 -30.1809 -30.1809 -29.4128 -29.4128 -29.2553 -29.2553 -3.9893 -3.9893 -3.7217 -3.7217 3.0345 3.0345 3.9425 3.9425 4.6573 4.6573 5.5081 5.5081 5.7887 5.7887 6.5976 6.5976 8.3087 8.3087 9.6455 9.6455 10.0521 10.0521 11.4730 11.4730 11.5734 11.5734 k = 0.4444 0.2566-0.0000 ( 7244 PWs) bands (ev): -55.7679 -55.7679 -37.0102 -37.0102 -30.1813 -30.1813 -29.4134 -29.4134 -29.2553 -29.2553 -3.9563 -3.9563 -3.7254 -3.7254 2.9933 2.9933 3.9260 3.9260 4.7140 4.7140 5.4468 5.4468 5.7841 5.7841 6.5914 6.5914 8.3052 8.3052 9.6485 9.6485 10.0608 10.0608 11.4703 11.4703 11.5787 11.5787 k = 0.4537 0.2619-0.0000 ( 7240 PWs) bands (ev): -55.7679 -55.7679 -37.0101 -37.0101 -30.1816 -30.1816 -29.4138 -29.4138 -29.2552 -29.2552 -3.9254 -3.9254 -3.7310 -3.7310 2.9579 2.9579 3.9122 3.9122 4.7700 4.7700 5.3872 5.3872 5.7801 5.7801 6.5863 6.5863 8.3023 8.3023 9.6512 9.6512 10.0681 10.0681 11.4673 11.4673 11.5833 11.5833 k = 0.4630 0.2673-0.0000 ( 7232 PWs) bands (ev): -55.7678 -55.7678 -37.0101 -37.0101 -30.1818 -30.1818 -29.4142 -29.4142 -29.2552 -29.2552 -3.8969 -3.8969 -3.7387 -3.7387 2.9287 2.9287 3.9010 3.9010 4.8248 4.8248 5.3295 5.3295 5.7768 5.7768 6.5821 6.5821 8.2998 8.2998 9.6534 9.6534 10.0739 10.0739 11.4644 11.4644 11.5870 11.5870 k = 0.4722 0.2726-0.0000 ( 7234 PWs) bands (ev): -55.7678 -55.7678 -37.0101 -37.0101 -30.1820 -30.1820 -29.4145 -29.4145 -29.2552 -29.2552 -3.8710 -3.8710 -3.7483 -3.7483 2.9058 2.9058 3.8922 3.8922 4.8777 4.8777 5.2744 5.2744 5.7741 5.7741 6.5789 6.5789 8.2980 8.2980 9.6552 9.6552 10.0784 10.0784 11.4618 11.4618 11.5899 11.5899 k = 0.4815 0.2780-0.0000 ( 7232 PWs) bands (ev): -55.7677 -55.7677 -37.0100 -37.0100 -30.1821 -30.1821 -29.4147 -29.4147 -29.2552 -29.2552 -3.8482 -3.8482 -3.7592 -3.7592 2.8893 2.8893 3.8860 3.8860 4.9266 4.9266 5.2240 5.2240 5.7722 5.7722 6.5766 6.5766 8.2966 8.2966 9.6565 9.6565 10.0816 10.0816 11.4598 11.4598 11.5920 11.5920 k = 0.4907 0.2833-0.0000 ( 7224 PWs) bands (ev): -55.7677 -55.7677 -37.0100 -37.0100 -30.1822 -30.1822 -29.4148 -29.4148 -29.2552 -29.2552 -3.8303 -3.8303 -3.7700 -3.7700 2.8794 2.8794 3.8823 3.8823 4.9662 4.9662 5.1836 5.1836 5.7711 5.7711 6.5753 6.5753 8.2958 8.2958 9.6572 9.6572 10.0834 10.0834 11.4586 11.4586 11.5933 11.5933 k = 0.5000 0.2887-0.0000 ( 7224 PWs) bands (ev): -55.7677 -55.7677 -37.0100 -37.0100 -30.1822 -30.1822 -29.4148 -29.4148 -29.2552 -29.2552 -3.8225 -3.8225 -3.7755 -3.7755 2.8761 2.8761 3.8811 3.8811 4.9831 4.9831 5.1663 5.1663 5.7707 5.7707 6.5748 6.5748 8.2956 8.2956 9.6575 9.6575 10.0841 10.0841 11.4581 11.4581 11.5937 11.5937 k = 0.5000 0.2887-0.0000 ( 7224 PWs) bands (ev): -55.7677 -55.7677 -37.0100 -37.0100 -30.1822 -30.1822 -29.4148 -29.4148 -29.2552 -29.2552 -3.8225 -3.8225 -3.7755 -3.7755 2.8761 2.8761 3.8811 3.8811 4.9831 4.9831 5.1663 5.1663 5.7707 5.7707 6.5748 6.5748 8.2956 8.2956 9.6575 9.6575 10.0841 10.0841 11.4581 11.4581 11.5937 11.5937 k = 0.4946 0.2980-0.0000 ( 7224 PWs) bands (ev): -55.7677 -55.7677 -37.0100 -37.0100 -30.1822 -30.1822 -29.4148 -29.4148 -29.2552 -29.2552 -3.8222 -3.8222 -3.7751 -3.7751 2.8773 2.8773 3.8816 3.8816 4.9827 4.9827 5.1667 5.1667 5.7699 5.7699 6.5660 6.5660 8.3019 8.3019 9.6573 9.6573 10.0835 10.0835 11.4571 11.4571 11.5866 11.5866 k = 0.4892 0.3073-0.0000 ( 7232 PWs) bands (ev): -55.7677 -55.7677 -37.0100 -37.0100 -30.1823 -30.1823 -29.4149 -29.4149 -29.2552 -29.2552 -3.8212 -3.8212 -3.7739 -3.7739 2.8809 2.8809 3.8832 3.8832 4.9815 4.9815 5.1676 5.1676 5.7674 5.7674 6.5400 6.5400 8.3204 8.3204 9.6569 9.6569 10.0817 10.0817 11.4540 11.4540 11.5659 11.5659 k = 0.4839 0.3166-0.0000 ( 7244 PWs) bands (ev): -55.7677 -55.7677 -37.0100 -37.0100 -30.1823 -30.1823 -29.4149 -29.4149 -29.2553 -29.2553 -3.8197 -3.8197 -3.7718 -3.7718 2.8868 2.8868 3.8858 3.8858 4.9796 4.9796 5.1692 5.1692 5.7632 5.7632 6.4980 6.4980 8.3500 8.3500 9.6561 9.6561 10.0787 10.0787 11.4487 11.4487 11.5330 11.5330 k = 0.4785 0.3259-0.0000 ( 7244 PWs) bands (ev): -55.7677 -55.7677 -37.0100 -37.0100 -30.1823 -30.1823 -29.4150 -29.4150 -29.2553 -29.2553 -3.8175 -3.8175 -3.7690 -3.7690 2.8951 2.8951 3.8893 3.8893 4.9770 4.9770 5.1713 5.1713 5.7574 5.7574 6.4420 6.4420 8.3888 8.3888 9.6551 9.6551 10.0746 10.0746 11.4413 11.4413 11.4899 11.4899 k = 0.4731 0.3352-0.0000 ( 7242 PWs) bands (ev): -55.7677 -55.7677 -37.0100 -37.0100 -30.1824 -30.1824 -29.4151 -29.4151 -29.2553 -29.2553 -3.8147 -3.8147 -3.7655 -3.7655 2.9058 2.9058 3.8939 3.8939 4.9738 4.9738 5.1740 5.1740 5.7498 5.7498 6.3739 6.3739 8.4351 8.4351 9.6540 9.6540 10.0694 10.0694 11.4301 11.4301 11.4403 11.4403 k = 0.4677 0.3445-0.0000 ( 7234 PWs) bands (ev): -55.7677 -55.7677 -37.0100 -37.0100 -30.1825 -30.1825 -29.4153 -29.4153 -29.2554 -29.2554 -3.8113 -3.8113 -3.7612 -3.7612 2.9188 2.9188 3.8994 3.8994 4.9700 4.9700 5.1771 5.1771 5.7404 5.7404 6.2959 6.2959 8.4869 8.4869 9.6528 9.6528 10.0630 10.0630 11.3805 11.3805 11.4210 11.4210 k = 0.4624 0.3539-0.0000 ( 7238 PWs) bands (ev): -55.7676 -55.7676 -37.0100 -37.0100 -30.1826 -30.1826 -29.4154 -29.4154 -29.2554 -29.2554 -3.8074 -3.8074 -3.7562 -3.7562 2.9342 2.9342 3.9059 3.9059 4.9659 4.9659 5.1806 5.1806 5.7292 5.7292 6.2099 6.2099 8.5425 8.5425 9.6517 9.6517 10.0555 10.0555 11.3196 11.3196 11.4070 11.4070 k = 0.4570 0.3632-0.0000 ( 7238 PWs) bands (ev): -55.7676 -55.7676 -37.0100 -37.0100 -30.1826 -30.1826 -29.4156 -29.4156 -29.2555 -29.2555 -3.8028 -3.8028 -3.7505 -3.7505 2.9519 2.9519 3.9131 3.9131 4.9614 4.9614 5.1843 5.1843 5.7161 5.7161 6.1176 6.1176 8.6007 8.6007 9.6508 9.6508 10.0469 10.0469 11.2562 11.2562 11.3909 11.3909 k = 0.4516 0.3725-0.0000 ( 7240 PWs) bands (ev): -55.7676 -55.7676 -37.0099 -37.0099 -30.1828 -30.1828 -29.4158 -29.4158 -29.2555 -29.2555 -3.7978 -3.7978 -3.7443 -3.7443 2.9718 2.9718 3.9212 3.9212 4.9567 4.9567 5.1882 5.1882 5.7010 5.7010 6.0206 6.0206 8.6603 8.6603 9.6503 9.6503 10.0374 10.0374 11.1920 11.1920 11.3727 11.3727 k = 0.4462 0.3818-0.0000 ( 7244 PWs) bands (ev): -55.7675 -55.7675 -37.0099 -37.0099 -30.1829 -30.1829 -29.4160 -29.4160 -29.2556 -29.2556 -3.7922 -3.7922 -3.7374 -3.7374 2.9940 2.9940 3.9299 3.9299 4.9520 4.9520 5.1919 5.1919 5.6839 5.6839 5.9202 5.9202 8.7202 8.7202 9.6503 9.6503 10.0268 10.0268 11.1281 11.1281 11.3522 11.3522 k = 0.4409 0.3911-0.0000 ( 7240 PWs) bands (ev): -55.7675 -55.7675 -37.0099 -37.0099 -30.1830 -30.1830 -29.4162 -29.4162 -29.2556 -29.2556 -3.7862 -3.7862 -3.7302 -3.7302 3.0185 3.0185 3.9393 3.9393 4.9474 4.9474 5.1951 5.1951 5.6646 5.6646 5.8181 5.8181 8.7800 8.7800 9.6509 9.6509 10.0153 10.0153 11.0653 11.0653 11.3295 11.3295 k = 0.4355 0.4004-0.0000 ( 7228 PWs) bands (ev): -55.7675 -55.7675 -37.0099 -37.0099 -30.1831 -30.1831 -29.4164 -29.4164 -29.2557 -29.2557 -3.7797 -3.7797 -3.7224 -3.7224 3.0451 3.0451 3.9492 3.9492 4.9432 4.9432 5.1973 5.1973 5.6417 5.6417 5.7169 5.7169 8.8389 8.8389 9.6524 9.6524 10.0030 10.0030 11.0044 11.0044 11.3047 11.3047 k = 0.4301 0.4097-0.0000 ( 7224 PWs) bands (ev): -55.7674 -55.7674 -37.0098 -37.0098 -30.1833 -30.1833 -29.4167 -29.4167 -29.2558 -29.2558 -3.7728 -3.7728 -3.7144 -3.7144 3.0739 3.0739 3.9595 3.9595 4.9394 4.9394 5.1974 5.1974 5.5975 5.5975 5.6362 5.6362 8.8966 8.8966 9.6548 9.6548 9.9899 9.9899 10.9459 10.9459 11.2777 11.2777 k = 0.4247 0.4190-0.0000 ( 7226 PWs) bands (ev): -55.7674 -55.7674 -37.0098 -37.0098 -30.1834 -30.1834 -29.4170 -29.4170 -29.2559 -29.2559 -3.7656 -3.7656 -3.7061 -3.7061 3.1049 3.1049 3.9702 3.9702 4.9362 4.9362 5.1931 5.1931 5.5073 5.5073 5.6035 5.6035 8.9527 8.9527 9.6582 9.6582 9.9761 9.9761 10.8903 10.8903 11.2486 11.2486 k = 0.4194 0.4284-0.0000 ( 7222 PWs) bands (ev): -55.7674 -55.7674 -37.0098 -37.0098 -30.1835 -30.1835 -29.4172 -29.4172 -29.2559 -29.2559 -3.7580 -3.7580 -3.6976 -3.6976 3.1379 3.1379 3.9810 3.9810 4.9338 4.9338 5.1794 5.1794 5.4192 5.4192 5.5765 5.5765 9.0071 9.0071 9.6627 9.6627 9.9617 9.9617 10.8379 10.8379 11.2176 11.2176 k = 0.4140 0.4377-0.0000 ( 7216 PWs) bands (ev): -55.7673 -55.7673 -37.0098 -37.0098 -30.1837 -30.1837 -29.4175 -29.4175 -29.2560 -29.2560 -3.7500 -3.7500 -3.6890 -3.6890 3.1729 3.1729 3.9918 3.9918 4.9324 4.9324 5.1457 5.1457 5.3506 5.3506 5.5490 5.5490 9.0595 9.0595 9.6684 9.6684 9.9469 9.9469 10.7890 10.7890 11.1847 11.1847 k = 0.4086 0.4470-0.0000 ( 7220 PWs) bands (ev): -55.7673 -55.7673 -37.0097 -37.0097 -30.1838 -30.1838 -29.4178 -29.4178 -29.2561 -29.2561 -3.7419 -3.7419 -3.6805 -3.6805 3.2099 3.2099 4.0025 4.0025 4.9320 4.9320 5.0834 5.0834 5.3113 5.3113 5.5204 5.5204 9.1097 9.1097 9.6753 9.6753 9.9317 9.9317 10.7438 10.7438 11.1501 11.1501 k = 0.4032 0.4563-0.0000 ( 7220 PWs) bands (ev): -55.7672 -55.7672 -37.0097 -37.0097 -30.1840 -30.1840 -29.4180 -29.4180 -29.2561 -29.2561 -3.7335 -3.7335 -3.6721 -3.6721 3.2488 3.2488 4.0128 4.0128 4.9315 4.9315 5.0017 5.0017 5.2937 5.2937 5.4909 5.4909 9.1577 9.1577 9.6832 9.6832 9.9163 9.9163 10.7026 10.7026 11.1140 11.1140 k = 0.3978 0.4656-0.0000 ( 7220 PWs) bands (ev): -55.7672 -55.7672 -37.0097 -37.0097 -30.1842 -30.1842 -29.4183 -29.4183 -29.2562 -29.2562 -3.7250 -3.7250 -3.6639 -3.6639 3.2895 3.2895 4.0228 4.0228 4.8994 4.8994 4.9445 4.9445 5.2861 5.2861 5.4606 5.4606 9.2032 9.2032 9.6922 9.6922 9.9009 9.9009 10.6655 10.6655 11.0765 11.0765 k = 0.3925 0.4749-0.0000 ( 7220 PWs) bands (ev): -55.7672 -55.7672 -37.0097 -37.0097 -30.1843 -30.1843 -29.4186 -29.4186 -29.2563 -29.2563 -3.7164 -3.7164 -3.6561 -3.6561 3.3319 3.3319 4.0320 4.0320 4.8088 4.8088 4.9451 4.9451 5.2825 5.2825 5.4299 5.4299 9.2463 9.2463 9.7020 9.7020 9.8857 9.8857 10.6328 10.6328 11.0379 11.0379 k = 0.3871 0.4842-0.0000 ( 7216 PWs) bands (ev): -55.7671 -55.7671 -37.0096 -37.0096 -30.1845 -30.1845 -29.4188 -29.4188 -29.2563 -29.2563 -3.7078 -3.7078 -3.6488 -3.6488 3.3760 3.3760 4.0405 4.0405 4.7149 4.7149 4.9514 4.9514 5.2802 5.2802 5.3990 5.3990 9.2866 9.2866 9.7124 9.7124 9.8709 9.8709 10.6046 10.6046 10.9983 10.9983 k = 0.3817 0.4935-0.0000 ( 7210 PWs) bands (ev): -55.7671 -55.7671 -37.0096 -37.0096 -30.1846 -30.1846 -29.4191 -29.4191 -29.2564 -29.2564 -3.6991 -3.6991 -3.6421 -3.6421 3.4216 3.4216 4.0480 4.0480 4.6224 4.6224 4.9602 4.9602 5.2779 5.2779 5.3683 5.3683 9.3240 9.3240 9.7230 9.7230 9.8568 9.8568 10.5813 10.5813 10.9582 10.9582 k = 0.3763 0.5029-0.0000 ( 7210 PWs) bands (ev): -55.7670 -55.7670 -37.0096 -37.0096 -30.1847 -30.1847 -29.4193 -29.4193 -29.2564 -29.2564 -3.6905 -3.6905 -3.6361 -3.6361 3.4686 3.4686 4.0543 4.0543 4.5326 4.5326 4.9715 4.9715 5.2748 5.2748 5.3383 5.3383 9.3584 9.3584 9.7334 9.7334 9.8437 9.8437 10.5630 10.5630 10.9177 10.9177 k = 0.3710 0.5122-0.0000 ( 7218 PWs) bands (ev): -55.7670 -55.7670 -37.0096 -37.0096 -30.1849 -30.1849 -29.4196 -29.4196 -29.2565 -29.2565 -3.6821 -3.6821 -3.6311 -3.6311 3.5166 3.5166 4.0595 4.0595 4.4463 4.4463 4.9850 4.9850 5.2701 5.2701 5.3097 5.3097 9.3894 9.3894 9.7432 9.7432 9.8320 9.8320 10.5500 10.5500 10.8771 10.8771 k = 0.3656 0.5215-0.0000 ( 7222 PWs) bands (ev): -55.7670 -55.7670 -37.0095 -37.0095 -30.1850 -30.1850 -29.4198 -29.4198 -29.2565 -29.2565 -3.6738 -3.6738 -3.6270 -3.6270 3.5655 3.5655 4.0632 4.0632 4.3643 4.3643 5.0009 5.0009 5.2621 5.2621 5.2844 5.2844 9.4169 9.4169 9.7517 9.7517 9.8222 9.8222 10.5426 10.5426 10.8368 10.8368 k = 0.3602 0.5308-0.0000 ( 7220 PWs) bands (ev): -55.7670 -55.7670 -37.0095 -37.0095 -30.1851 -30.1851 -29.4199 -29.4199 -29.2565 -29.2565 -3.6658 -3.6658 -3.6240 -3.6240 3.6146 3.6146 4.0655 4.0655 4.2874 4.2874 5.0189 5.0189 5.2461 5.2461 5.2673 5.2673 9.4404 9.4404 9.7585 9.7585 9.8147 9.8147 10.5410 10.5410 10.7972 10.7972 k = 0.3548 0.5401-0.0000 ( 7204 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1852 -30.1852 -29.4201 -29.4201 -29.2566 -29.2566 -3.6581 -3.6581 -3.6223 -3.6223 3.6632 3.6632 4.0662 4.0662 4.2167 4.2167 5.0387 5.0387 5.2250 5.2250 5.2560 5.2560 9.4598 9.4598 9.7631 9.7631 9.8099 9.8099 10.5453 10.5453 10.7585 10.7585 k = 0.3495 0.5494-0.0000 ( 7196 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1852 -30.1852 -29.4202 -29.4202 -29.2566 -29.2566 -3.6508 -3.6508 -3.6221 -3.6221 3.7097 3.7097 4.0650 4.0650 4.1544 4.1544 5.0594 5.0594 5.2057 5.2057 5.2447 5.2447 9.4748 9.4748 9.7656 9.7656 9.8076 9.8076 10.5555 10.5555 10.7212 10.7212 k = 0.3441 0.5587-0.0000 ( 7186 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1853 -30.1853 -29.4203 -29.4203 -29.2566 -29.2566 -3.6439 -3.6439 -3.6232 -3.6232 3.7510 3.7510 4.0612 4.0612 4.1046 4.1046 5.0791 5.0791 5.1918 5.1918 5.2317 5.2317 9.4854 9.4854 9.7666 9.7666 9.8070 9.8070 10.5716 10.5716 10.6857 10.6857 k = 0.3387 0.5680-0.0000 ( 7182 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1853 -30.1853 -29.4203 -29.4203 -29.2566 -29.2566 -3.6377 -3.6377 -3.6259 -3.6259 3.7813 3.7813 4.0515 4.0515 4.0763 4.0763 5.0935 5.0935 5.1881 5.1881 5.2167 5.2167 9.4915 9.4915 9.7669 9.7669 9.8071 9.8071 10.5933 10.5933 10.6522 10.6522 k = 0.3333 0.5774-0.0000 ( 7176 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1853 -30.1853 -29.4204 -29.4204 -29.2566 -29.2566 -3.6338 -3.6338 -3.6286 -3.6286 3.7925 3.7925 4.0447 4.0447 4.0693 4.0693 5.0982 5.0982 5.1978 5.1978 5.2008 5.2008 9.4935 9.4935 9.7670 9.7670 9.8072 9.8072 10.6169 10.6169 10.6248 10.6248 k = 0.3333 0.5774-0.0000 ( 7176 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1853 -30.1853 -29.4204 -29.4204 -29.2566 -29.2566 -3.6338 -3.6338 -3.6286 -3.6286 3.7925 3.7925 4.0447 4.0447 4.0693 4.0693 5.0982 5.0982 5.1978 5.1978 5.2008 5.2008 9.4935 9.4935 9.7670 9.7670 9.8072 9.8072 10.6169 10.6169 10.6248 10.6248 k = 0.3280 0.5680-0.0000 ( 7192 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1853 -30.1853 -29.4203 -29.4203 -29.2566 -29.2566 -3.6383 -3.6383 -3.6254 -3.6254 3.7826 3.7826 4.0463 4.0463 4.0803 4.0803 5.0953 5.0953 5.1795 5.1795 5.2234 5.2234 9.4917 9.4917 9.7668 9.7668 9.8071 9.8071 10.5922 10.5922 10.6533 10.6533 k = 0.3226 0.5587-0.0000 ( 7200 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1853 -30.1853 -29.4203 -29.4203 -29.2566 -29.2566 -3.6466 -3.6466 -3.6210 -3.6210 3.7593 3.7593 4.0430 4.0430 4.1150 4.1150 5.0900 5.0900 5.1574 5.1574 5.2553 5.2553 9.4863 9.4863 9.7660 9.7660 9.8068 9.8068 10.5668 10.5668 10.6900 10.6900 k = 0.3172 0.5494-0.0000 ( 7200 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1852 -30.1852 -29.4202 -29.4202 -29.2566 -29.2566 -3.6571 -3.6571 -3.6171 -3.6171 3.7315 3.7315 4.0368 4.0368 4.1629 4.1629 5.0854 5.0854 5.1327 5.1327 5.2920 5.2920 9.4778 9.4778 9.7643 9.7643 9.8067 9.8067 10.5445 10.5445 10.7308 10.7308 k = 0.3118 0.5401-0.0000 ( 7198 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1851 -30.1851 -29.4200 -29.4200 -29.2566 -29.2566 -3.6698 -3.6698 -3.6140 -3.6140 3.7042 3.7042 4.0296 4.0296 4.2173 4.2173 5.0825 5.0825 5.1059 5.1059 5.3321 5.3321 9.4663 9.4663 9.7614 9.7614 9.8069 9.8069 10.5252 10.5252 10.7751 10.7751 k = 0.3065 0.5308-0.0000 ( 7210 PWs) bands (ev): -55.7670 -55.7670 -37.0095 -37.0095 -30.1850 -30.1850 -29.4198 -29.4198 -29.2565 -29.2565 -3.6846 -3.6846 -3.6116 -3.6116 3.6799 3.6799 4.0220 4.0220 4.2752 4.2752 5.0735 5.0735 5.0853 5.0853 5.3749 5.3749 9.4521 9.4521 9.7574 9.7574 9.8076 9.8076 10.5091 10.5091 10.8224 10.8224 k = 0.3011 0.5215-0.0000 ( 7220 PWs) bands (ev): -55.7670 -55.7670 -37.0096 -37.0096 -30.1849 -30.1849 -29.4196 -29.4196 -29.2565 -29.2565 -3.7017 -3.7017 -3.6101 -3.6101 3.6598 3.6598 4.0143 4.0143 4.3351 4.3351 5.0429 5.0429 5.0871 5.0871 5.4200 5.4200 9.4352 9.4352 9.7522 9.7522 9.8091 9.8091 10.4958 10.4958 10.8723 10.8723 k = 0.2957 0.5122-0.0000 ( 7222 PWs) bands (ev): -55.7671 -55.7671 -37.0096 -37.0096 -30.1847 -30.1847 -29.4193 -29.4193 -29.2565 -29.2565 -3.7210 -3.7210 -3.6094 -3.6094 3.6447 3.6447 4.0069 4.0069 4.3962 4.3962 5.0089 5.0089 5.0932 5.0932 5.4673 5.4673 9.4157 9.4157 9.7462 9.7462 9.8114 9.8114 10.4851 10.4851 10.9242 10.9242 k = 0.2903 0.5029-0.0000 ( 7222 PWs) bands (ev): -55.7671 -55.7671 -37.0096 -37.0096 -30.1844 -30.1844 -29.4189 -29.4189 -29.2565 -29.2565 -3.7426 -3.7426 -3.6097 -3.6097 3.6349 3.6349 4.0001 4.0001 4.4575 4.4575 4.9730 4.9730 5.1027 5.1027 5.5165 5.5165 9.3937 9.3937 9.7394 9.7394 9.8148 9.8148 10.4768 10.4768 10.9776 10.9776 k = 0.2849 0.4935-0.0000 ( 7224 PWs) bands (ev): -55.7672 -55.7672 -37.0097 -37.0097 -30.1842 -30.1842 -29.4185 -29.4185 -29.2564 -29.2564 -3.7664 -3.7664 -3.6109 -3.6109 3.6308 3.6308 3.9940 3.9940 4.5183 4.5183 4.9359 4.9359 5.1154 5.1154 5.5675 5.5675 9.3695 9.3695 9.7319 9.7319 9.8194 9.8194 10.4705 10.4705 11.0320 11.0320 k = 0.2796 0.4842-0.0000 ( 7228 PWs) bands (ev): -55.7672 -55.7672 -37.0097 -37.0097 -30.1839 -30.1839 -29.4180 -29.4180 -29.2564 -29.2564 -3.7924 -3.7924 -3.6131 -3.6131 3.6324 3.6324 3.9890 3.9890 4.5770 4.5770 4.8989 4.8989 5.1314 5.1314 5.6201 5.6201 9.3432 9.3432 9.7239 9.7239 9.8252 9.8252 10.4658 10.4658 11.0869 11.0869 k = 0.2742 0.4749-0.0000 ( 7226 PWs) bands (ev): -55.7673 -55.7673 -37.0097 -37.0097 -30.1836 -30.1836 -29.4175 -29.4175 -29.2564 -29.2564 -3.8206 -3.8206 -3.6162 -3.6162 3.6397 3.6397 3.9852 3.9852 4.6301 4.6301 4.8655 4.8655 5.1506 5.1506 5.6743 5.6743 9.3152 9.3152 9.7153 9.7153 9.8323 9.8323 10.4625 10.4625 11.1418 11.1418 k = 0.2688 0.4656-0.0000 ( 7238 PWs) bands (ev): -55.7674 -55.7674 -37.0098 -37.0098 -30.1832 -30.1832 -29.4169 -29.4169 -29.2563 -29.2563 -3.8509 -3.8509 -3.6204 -3.6204 3.6529 3.6529 3.9828 3.9828 4.6681 4.6681 4.8451 4.8451 5.1729 5.1729 5.7298 5.7298 9.2858 9.2858 9.7063 9.7063 9.8405 9.8405 10.4602 10.4602 11.1962 11.1962 k = 0.2634 0.4563-0.0000 ( 7238 PWs) bands (ev): -55.7675 -55.7675 -37.0099 -37.0099 -30.1828 -30.1828 -29.4163 -29.4163 -29.2563 -29.2563 -3.8832 -3.8832 -3.6256 -3.6256 3.6718 3.6718 3.9822 3.9822 4.6740 4.6740 4.8546 4.8546 5.1984 5.1984 5.7867 5.7867 9.2551 9.2551 9.6969 9.6969 9.8498 9.8498 10.4588 10.4588 11.2494 11.2494 k = 0.2581 0.4470-0.0000 ( 7230 PWs) bands (ev): -55.7676 -55.7676 -37.0099 -37.0099 -30.1824 -30.1824 -29.4156 -29.4156 -29.2563 -29.2563 -3.9174 -3.9174 -3.6317 -3.6317 3.6965 3.6965 3.9833 3.9833 4.6482 4.6482 4.8938 4.8938 5.2270 5.2270 5.8448 5.8448 9.2237 9.2237 9.6871 9.6871 9.8597 9.8597 10.4581 10.4581 11.3009 11.3009 k = 0.2527 0.4377-0.0000 ( 7234 PWs) bands (ev): -55.7677 -55.7677 -37.0100 -37.0100 -30.1819 -30.1819 -29.4149 -29.4149 -29.2562 -29.2562 -3.9535 -3.9535 -3.6389 -3.6389 3.7268 3.7268 3.9863 3.9863 4.6069 4.6069 4.9462 4.9462 5.2586 5.2586 5.9040 5.9040 9.1919 9.1919 9.6769 9.6769 9.8702 9.8702 10.4580 10.4580 11.3502 11.3502 k = 0.2473 0.4284-0.0000 ( 7230 PWs) bands (ev): -55.7678 -55.7678 -37.0101 -37.0101 -30.1814 -30.1814 -29.4141 -29.4141 -29.2562 -29.2562 -3.9913 -3.9913 -3.6470 -3.6470 3.7625 3.7625 3.9915 3.9915 4.5590 4.5590 5.0032 5.0032 5.2932 5.2932 5.9642 5.9642 9.1598 9.1598 9.6662 9.6662 9.8809 9.8809 10.4586 10.4586 11.3967 11.3967 k = 0.2419 0.4190-0.0000 ( 7232 PWs) bands (ev): -55.7679 -55.7679 -37.0101 -37.0101 -30.1809 -30.1809 -29.4132 -29.4132 -29.2562 -29.2562 -4.0307 -4.0307 -3.6562 -3.6562 3.8036 3.8036 3.9988 3.9988 4.5076 4.5076 5.0615 5.0615 5.3308 5.3308 6.0253 6.0253 9.1279 9.1279 9.6552 9.6552 9.8914 9.8914 10.4598 10.4598 11.4397 11.4397 k = 0.2366 0.4097-0.0000 ( 7232 PWs) bands (ev): -55.7680 -55.7680 -37.0102 -37.0102 -30.1803 -30.1803 -29.4123 -29.4123 -29.2562 -29.2562 -4.0715 -4.0715 -3.6662 -3.6662 3.8497 3.8497 4.0083 4.0083 4.4543 4.4543 5.1198 5.1198 5.3712 5.3712 6.0873 6.0873 9.0964 9.0964 9.6438 9.6438 9.9013 9.9013 10.4619 10.4619 11.4786 11.4786 k = 0.2312 0.4004-0.0000 ( 7240 PWs) bands (ev): -55.7682 -55.7682 -37.0103 -37.0103 -30.1797 -30.1797 -29.4113 -29.4113 -29.2561 -29.2561 -4.1137 -4.1137 -3.6772 -3.6772 3.9005 3.9005 4.0202 4.0202 4.3998 4.3998 5.1775 5.1775 5.4144 5.4144 6.1500 6.1500 9.0655 9.0655 9.6319 9.6319 9.9102 9.9102 10.4650 10.4650 11.5130 11.5130 k = 0.2258 0.3911-0.0000 ( 7236 PWs) bands (ev): -55.7683 -55.7683 -37.0104 -37.0104 -30.1790 -30.1790 -29.4103 -29.4103 -29.2561 -29.2561 -4.1571 -4.1571 -3.6890 -3.6890 3.9553 3.9553 4.0344 4.0344 4.3453 4.3453 5.2341 5.2341 5.4603 5.4603 6.2133 6.2133 9.0355 9.0355 9.6196 9.6196 9.9178 9.9178 10.4693 10.4693 11.5422 11.5422 k = 0.2204 0.3818-0.0000 ( 7232 PWs) bands (ev): -55.7684 -55.7684 -37.0105 -37.0105 -30.1783 -30.1783 -29.4093 -29.4093 -29.2561 -29.2561 -4.2016 -4.2016 -3.7017 -3.7017 4.0125 4.0125 4.0508 4.0508 4.2924 4.2924 5.2892 5.2892 5.5090 5.5090 6.2771 6.2771 9.0066 9.0066 9.6069 9.6069 9.9235 9.9235 10.4752 10.4752 11.5657 11.5657 k = 0.2151 0.3725-0.0000 ( 7236 PWs) bands (ev): -55.7686 -55.7686 -37.0106 -37.0106 -30.1776 -30.1776 -29.4081 -29.4081 -29.2561 -29.2561 -4.2470 -4.2470 -3.7152 -3.7152 4.0666 4.0666 4.0699 4.0699 4.2468 4.2468 5.3427 5.3427 5.5603 5.5603 6.3413 6.3413 8.9789 8.9789 9.5937 9.5937 9.9271 9.9271 10.4830 10.4830 11.5834 11.5834 k = 0.2097 0.3632-0.0000 ( 7230 PWs) bands (ev): -55.7687 -55.7687 -37.0107 -37.0107 -30.1769 -30.1769 -29.4070 -29.4070 -29.2560 -29.2560 -4.2931 -4.2931 -3.7294 -3.7294 4.0864 4.0864 4.0999 4.0999 4.2309 4.2309 5.3943 5.3943 5.6142 5.6142 6.4058 6.4058 8.9527 8.9527 9.5801 9.5801 9.9282 9.9282 10.4927 10.4927 11.5947 11.5947 k = 0.2043 0.3539-0.0000 ( 7240 PWs) bands (ev): -55.7689 -55.7689 -37.0108 -37.0108 -30.1761 -30.1761 -29.4058 -29.4058 -29.2560 -29.2560 -4.3399 -4.3399 -3.7443 -3.7443 4.0683 4.0683 4.1181 4.1181 4.2714 4.2714 5.4439 5.4439 5.6705 5.6705 6.4705 6.4705 8.9280 8.9280 9.5661 9.5661 9.9266 9.9266 10.5047 10.5047 11.5997 11.5997 k = 0.1989 0.3445-0.0000 ( 7240 PWs) bands (ev): -55.7691 -55.7691 -37.0109 -37.0109 -30.1753 -30.1753 -29.4046 -29.4046 -29.2560 -29.2560 -4.3871 -4.3871 -3.7599 -3.7599 4.0207 4.0207 4.1436 4.1436 4.3407 4.3407 5.4912 5.4912 5.7293 5.7293 6.5351 6.5351 8.9050 8.9050 9.5517 9.5517 9.9221 9.9221 10.5190 10.5190 11.5982 11.5982 k = 0.1935 0.3352-0.0000 ( 7248 PWs) bands (ev): -55.7693 -55.7693 -37.0110 -37.0110 -30.1745 -30.1745 -29.4033 -29.4033 -29.2560 -29.2560 -4.4347 -4.4347 -3.7760 -3.7760 3.9660 3.9660 4.1721 4.1721 4.4204 4.4204 5.5363 5.5363 5.7904 5.7904 6.5997 6.5997 8.8838 8.8838 9.5369 9.5369 9.9148 9.9148 10.5358 10.5358 11.5903 11.5903 k = 0.1882 0.3259-0.0000 ( 7256 PWs) bands (ev): -55.7694 -55.7694 -37.0112 -37.0112 -30.1737 -30.1737 -29.4020 -29.4020 -29.2560 -29.2560 -4.4824 -4.4824 -3.7926 -3.7926 3.9092 3.9092 4.2031 4.2031 4.5062 4.5062 5.5788 5.5788 5.8537 5.8537 6.6639 6.6639 8.8645 8.8645 9.5218 9.5218 9.9046 9.9046 10.5549 10.5549 11.5764 11.5764 k = 0.1828 0.3166-0.0000 ( 7244 PWs) bands (ev): -55.7696 -55.7696 -37.0113 -37.0113 -30.1728 -30.1728 -29.4006 -29.4006 -29.2560 -29.2560 -4.5303 -4.5303 -3.8097 -3.8097 3.8517 3.8517 4.2365 4.2365 4.5966 4.5966 5.6189 5.6189 5.9191 5.9191 6.7276 6.7276 8.8470 8.8470 9.5064 9.5064 9.8917 9.8917 10.5762 10.5762 11.5568 11.5568 k = 0.1774 0.3073-0.0000 ( 7244 PWs) bands (ev): -55.7698 -55.7698 -37.0114 -37.0114 -30.1719 -30.1719 -29.3993 -29.3993 -29.2560 -29.2560 -4.5780 -4.5780 -3.8272 -3.8272 3.7941 3.7941 4.2721 4.2721 4.6908 4.6908 5.6565 5.6565 5.9865 5.9865 6.7906 6.7906 8.8315 8.8315 9.4908 9.4908 9.8763 9.8763 10.5997 10.5997 11.5319 11.5319 k = 0.1720 0.2980-0.0000 ( 7256 PWs) bands (ev): -55.7700 -55.7700 -37.0115 -37.0115 -30.1710 -30.1710 -29.3979 -29.3979 -29.2560 -29.2560 -4.6256 -4.6256 -3.8450 -3.8450 3.7369 3.7369 4.3100 4.3100 4.7885 4.7885 5.6916 5.6916 6.0558 6.0558 6.8528 6.8528 8.8178 8.8178 9.4750 9.4750 9.8585 9.8585 10.6251 10.6251 11.5022 11.5022 k = 0.1667 0.2887-0.0000 ( 7262 PWs) bands (ev): -55.7702 -55.7702 -37.0117 -37.0117 -30.1701 -30.1701 -29.3965 -29.3965 -29.2559 -29.2559 -4.6728 -4.6728 -3.8630 -3.8630 3.6801 3.6801 4.3500 4.3500 4.8891 4.8891 5.7243 5.7243 6.1269 6.1269 6.9139 6.9139 8.8061 8.8061 9.4591 9.4591 9.8386 9.8386 10.6524 10.6524 11.4684 11.4684 k = 0.1613 0.2794-0.0000 ( 7250 PWs) bands (ev): -55.7704 -55.7704 -37.0118 -37.0118 -30.1692 -30.1692 -29.3950 -29.3950 -29.2559 -29.2559 -4.7197 -4.7197 -3.8813 -3.8813 3.6241 3.6241 4.3921 4.3921 4.9923 4.9923 5.7548 5.7548 6.1997 6.1997 6.9736 6.9736 8.7962 8.7962 9.4432 9.4432 9.8169 9.8169 10.6812 10.6812 11.4312 11.4312 k = 0.1559 0.2701-0.0000 ( 7251 PWs) bands (ev): -55.7706 -55.7706 -37.0119 -37.0119 -30.1683 -30.1683 -29.3936 -29.3936 -29.2559 -29.2559 -4.7659 -4.7659 -3.8997 -3.8997 3.5689 3.5689 4.4362 4.4362 5.0976 5.0976 5.7834 5.7834 6.2738 6.2738 7.0316 7.0316 8.7880 8.7880 9.4274 9.4274 9.7934 9.7934 10.7114 10.7114 11.3911 11.3911 k = 0.1505 0.2607-0.0000 ( 7257 PWs) bands (ev): -55.7708 -55.7708 -37.0121 -37.0121 -30.1674 -30.1674 -29.3921 -29.3921 -29.2559 -29.2559 -4.8115 -4.8115 -3.9181 -3.9181 3.5146 3.5146 4.4822 4.4822 5.2043 5.2043 5.8105 5.8105 6.3493 6.3493 7.0878 7.0878 8.7816 8.7816 9.4117 9.4117 9.7685 9.7685 10.7428 10.7428 11.3491 11.3491 k = 0.1452 0.2514-0.0000 ( 7241 PWs) bands (ev): -55.7710 -55.7710 -37.0122 -37.0122 -30.1665 -30.1665 -29.3907 -29.3907 -29.2559 -29.2559 -4.8564 -4.8564 -3.9365 -3.9365 3.4615 3.4615 4.5300 4.5300 5.3115 5.3115 5.8370 5.8370 6.4260 6.4260 7.1417 7.1417 8.7766 8.7766 9.3962 9.3962 9.7424 9.7424 10.7753 10.7753 11.3058 11.3058 k = 0.1398 0.2421-0.0000 ( 7239 PWs) bands (ev): -55.7711 -55.7711 -37.0123 -37.0123 -30.1656 -30.1656 -29.3893 -29.3893 -29.2559 -29.2559 -4.9004 -4.9004 -3.9548 -3.9548 3.4096 3.4096 4.5796 4.5796 5.4176 5.4176 5.8643 5.8643 6.5035 6.5035 7.1931 7.1931 8.7731 8.7731 9.3809 9.3809 9.7151 9.7151 10.8086 10.8086 11.2620 11.2620 k = 0.1344 0.2328-0.0000 ( 7239 PWs) bands (ev): -55.7713 -55.7713 -37.0124 -37.0124 -30.1646 -30.1646 -29.3878 -29.3878 -29.2559 -29.2559 -4.9434 -4.9434 -3.9730 -3.9730 3.3589 3.3589 4.6308 4.6308 5.5198 5.5198 5.8950 5.8950 6.5818 6.5818 7.2416 7.2416 8.7709 8.7709 9.3659 9.3659 9.6868 9.6868 10.8425 10.8425 11.2185 11.2185 k = 0.1290 0.2235-0.0000 ( 7237 PWs) bands (ev): -55.7715 -55.7715 -37.0126 -37.0126 -30.1637 -30.1637 -29.3864 -29.3864 -29.2559 -29.2559 -4.9854 -4.9854 -3.9910 -3.9910 3.3096 3.3096 4.6835 4.6835 5.6135 5.6135 5.9340 5.9340 6.6606 6.6606 7.2871 7.2871 8.7699 8.7699 9.3512 9.3512 9.6577 9.6577 10.8768 10.8768 11.1761 11.1761 k = 0.1237 0.2142-0.0000 ( 7243 PWs) bands (ev): -55.7717 -55.7717 -37.0127 -37.0127 -30.1629 -30.1629 -29.3850 -29.3850 -29.2559 -29.2559 -5.0263 -5.0263 -4.0088 -4.0088 3.2618 3.2618 4.7376 4.7376 5.6913 5.6913 5.9883 5.9883 6.7397 6.7397 7.3290 7.3290 8.7699 8.7699 9.3368 9.3368 9.6279 9.6279 10.9114 10.9114 11.1355 11.1355 k = 0.1183 0.2049-0.0000 ( 7247 PWs) bands (ev): -55.7719 -55.7719 -37.0128 -37.0128 -30.1620 -30.1620 -29.3836 -29.3836 -29.2559 -29.2559 -5.0660 -5.0660 -4.0262 -4.0262 3.2155 3.2155 4.7930 4.7930 5.7477 5.7477 6.0634 6.0634 6.8186 6.8186 7.3674 7.3674 8.7707 8.7707 9.3224 9.3224 9.5974 9.5974 10.9461 10.9461 11.0977 11.0977 k = 0.1129 0.1956-0.0000 ( 7251 PWs) bands (ev): -55.7721 -55.7721 -37.0129 -37.0129 -30.1611 -30.1611 -29.3822 -29.3822 -29.2558 -29.2558 -5.1044 -5.1044 -4.0432 -4.0432 3.1708 3.1708 4.8495 4.8495 5.7843 5.7843 6.1576 6.1576 6.8972 6.8972 7.4019 7.4019 8.7722 8.7722 9.3080 9.3080 9.5663 9.5663 10.9805 10.9805 11.0634 11.0634 k = 0.1075 0.1862-0.0000 ( 7249 PWs) bands (ev): -55.7723 -55.7723 -37.0131 -37.0131 -30.1603 -30.1603 -29.3809 -29.3809 -29.2558 -29.2558 -5.1415 -5.1415 -4.0599 -4.0599 3.1278 3.1278 4.9070 4.9070 5.8074 5.8074 6.2646 6.2646 6.9748 6.9748 7.4327 7.4327 8.7744 8.7744 9.2934 9.2934 9.5347 9.5347 11.0141 11.0141 11.0339 11.0339 k = 0.1022 0.1769-0.0000 ( 7249 PWs) bands (ev): -55.7724 -55.7724 -37.0132 -37.0132 -30.1595 -30.1595 -29.3796 -29.3796 -29.2558 -29.2558 -5.1771 -5.1771 -4.0760 -4.0760 3.0865 3.0865 4.9654 4.9654 5.8221 5.8221 6.3791 6.3791 7.0508 7.0508 7.4600 7.4600 8.7770 8.7770 9.2783 9.2783 9.5025 9.5025 11.0078 11.0078 11.0486 11.0486 k = 0.0968 0.1676-0.0000 ( 7253 PWs) bands (ev): -55.7726 -55.7726 -37.0133 -37.0133 -30.1587 -30.1587 -29.3783 -29.3783 -29.2558 -29.2558 -5.2113 -5.2113 -4.0916 -4.0916 3.0470 3.0470 5.0245 5.0245 5.8317 5.8317 6.4978 6.4978 7.1243 7.1243 7.4843 7.4843 8.7799 8.7799 9.2623 9.2623 9.4698 9.4698 10.9887 10.9887 11.0810 11.0810 k = 0.0914 0.1583-0.0000 ( 7247 PWs) bands (ev): -55.7728 -55.7728 -37.0134 -37.0134 -30.1579 -30.1579 -29.3771 -29.3771 -29.2558 -29.2558 -5.2439 -5.2439 -4.1067 -4.1067 3.0093 3.0093 5.0840 5.0840 5.8377 5.8377 6.6189 6.6189 7.1937 7.1937 7.5071 7.5071 8.7831 8.7831 9.2451 9.2451 9.4366 9.4366 10.9758 10.9758 11.1126 11.1126 k = 0.0860 0.1490-0.0000 ( 7247 PWs) bands (ev): -55.7729 -55.7729 -37.0135 -37.0135 -30.1572 -30.1572 -29.3759 -29.3759 -29.2557 -29.2557 -5.2750 -5.2750 -4.1211 -4.1211 2.9735 2.9735 5.1438 5.1438 5.8413 5.8413 6.7412 6.7412 7.2565 7.2565 7.5306 7.5306 8.7864 8.7864 9.2265 9.2265 9.4028 9.4028 10.9695 10.9695 11.1429 11.1429 k = 0.0806 0.1397-0.0000 ( 7243 PWs) bands (ev): -55.7731 -55.7731 -37.0136 -37.0136 -30.1565 -30.1565 -29.3748 -29.3748 -29.2557 -29.2557 -5.3044 -5.3044 -4.1348 -4.1348 2.9397 2.9397 5.2037 5.2037 5.8431 5.8431 6.8637 6.8637 7.3091 7.3091 7.5586 7.5586 8.7897 8.7897 9.2060 9.2060 9.3683 9.3683 10.9703 10.9703 11.1717 11.1717 k = 0.0753 0.1304-0.0000 ( 7235 PWs) bands (ev): -55.7732 -55.7732 -37.0137 -37.0137 -30.1558 -30.1558 -29.3737 -29.3737 -29.2557 -29.2557 -5.3321 -5.3321 -4.1479 -4.1479 2.9078 2.9078 5.2634 5.2634 5.8436 5.8436 6.9857 6.9857 7.3474 7.3474 7.5951 7.5951 8.7931 8.7931 9.1835 9.1835 9.3331 9.3331 10.9782 10.9782 11.1989 11.1989 k = 0.0699 0.1211-0.0000 ( 7235 PWs) bands (ev): -55.7734 -55.7734 -37.0138 -37.0138 -30.1552 -30.1552 -29.3727 -29.3727 -29.2557 -29.2557 -5.3581 -5.3581 -4.1602 -4.1602 2.8780 2.8780 5.3225 5.3225 5.8431 5.8431 7.1064 7.1064 7.3703 7.3703 7.6418 7.6418 8.7963 8.7963 9.1588 9.1588 9.2970 9.2970 10.9929 10.9929 11.2242 11.2242 k = 0.0645 0.1117-0.0000 ( 7239 PWs) bands (ev): -55.7735 -55.7735 -37.0139 -37.0139 -30.1546 -30.1546 -29.3717 -29.3717 -29.2556 -29.2556 -5.3823 -5.3823 -4.1717 -4.1717 2.8502 2.8502 5.3808 5.3808 5.8419 5.8419 7.2240 7.2240 7.3808 7.3808 7.6969 7.6969 8.7994 8.7994 9.1319 9.1319 9.2599 9.2599 11.0142 11.0142 11.2475 11.2475 k = 0.0591 0.1024-0.0000 ( 7239 PWs) bands (ev): -55.7736 -55.7736 -37.0139 -37.0139 -30.1541 -30.1541 -29.3708 -29.3708 -29.2556 -29.2556 -5.4047 -5.4047 -4.1825 -4.1825 2.8245 2.8245 5.4378 5.4378 5.8402 5.8402 7.3275 7.3275 7.3933 7.3933 7.7570 7.7570 8.8023 8.8023 9.1028 9.1028 9.2218 9.2218 11.0413 11.0413 11.2688 11.2688 k = 0.0538 0.0931-0.0000 ( 7227 PWs) bands (ev): -55.7737 -55.7737 -37.0140 -37.0140 -30.1536 -30.1536 -29.3700 -29.3700 -29.2556 -29.2556 -5.4253 -5.4253 -4.1924 -4.1924 2.8010 2.8010 5.4932 5.4932 5.8382 5.8382 7.3544 7.3544 7.4727 7.4727 7.8193 7.8193 8.8049 8.8049 9.0717 9.0717 9.1825 9.1825 11.0735 11.0735 11.2878 11.2878 k = 0.0484 0.0838-0.0000 ( 7231 PWs) bands (ev): -55.7738 -55.7738 -37.0141 -37.0141 -30.1531 -30.1531 -29.3693 -29.3693 -29.2556 -29.2556 -5.4440 -5.4440 -4.2014 -4.2014 2.7796 2.7796 5.5464 5.5464 5.8359 5.8359 7.3447 7.3447 7.5807 7.5807 7.8819 7.8819 8.8073 8.8073 9.0389 9.0389 9.1419 9.1419 11.1095 11.1095 11.3047 11.3047 k = 0.0430 0.0745-0.0000 ( 7235 PWs) bands (ev): -55.7739 -55.7739 -37.0141 -37.0141 -30.1527 -30.1527 -29.3686 -29.3686 -29.2555 -29.2555 -5.4608 -5.4608 -4.2096 -4.2096 2.7604 2.7604 5.5969 5.5969 5.8337 5.8337 7.3288 7.3288 7.6878 7.6878 7.9436 7.9436 8.8093 8.8093 9.0047 9.0047 9.1001 9.1001 11.1482 11.1482 11.3193 11.3193 k = 0.0376 0.0652-0.0000 ( 7235 PWs) bands (ev): -55.7740 -55.7740 -37.0142 -37.0142 -30.1523 -30.1523 -29.3680 -29.3680 -29.2555 -29.2555 -5.4757 -5.4757 -4.2168 -4.2168 2.7434 2.7434 5.6440 5.6440 5.8315 5.8315 7.3105 7.3105 7.7909 7.7909 8.0036 8.0036 8.8109 8.8109 8.9698 8.9698 9.0570 9.0570 11.1880 11.1880 11.3318 11.3318 k = 0.0323 0.0559-0.0000 ( 7243 PWs) bands (ev): -55.7741 -55.7741 -37.0142 -37.0142 -30.1520 -30.1520 -29.3674 -29.3674 -29.2555 -29.2555 -5.4887 -5.4887 -4.2231 -4.2231 2.7286 2.7286 5.6870 5.6870 5.8296 5.8296 7.2913 7.2913 7.8885 7.8885 8.0610 8.0610 8.8120 8.8120 8.9348 8.9348 9.0132 9.0132 11.2274 11.2274 11.3424 11.3424 k = 0.0269 0.0466-0.0000 ( 7255 PWs) bands (ev): -55.7741 -55.7741 -37.0143 -37.0143 -30.1517 -30.1517 -29.3670 -29.3670 -29.2555 -29.2555 -5.4997 -5.4997 -4.2285 -4.2285 2.7161 2.7161 5.7251 5.7251 5.8280 5.8280 7.2725 7.2725 7.9788 7.9788 8.1152 8.1152 8.8124 8.8124 8.9007 8.9007 8.9693 8.9693 11.2647 11.2647 11.3511 11.3511 k = 0.0215 0.0372-0.0000 ( 7255 PWs) bands (ev): -55.7742 -55.7742 -37.0143 -37.0143 -30.1515 -30.1515 -29.3666 -29.3666 -29.2555 -29.2555 -5.5087 -5.5087 -4.2329 -4.2329 2.7058 2.7058 5.7573 5.7573 5.8270 5.8270 7.2553 7.2553 8.0596 8.0596 8.1654 8.1654 8.8117 8.8117 8.8685 8.8685 8.9269 8.9269 11.2979 11.2979 11.3583 11.3583 k = 0.0161 0.0279-0.0000 ( 7267 PWs) bands (ev): -55.7742 -55.7742 -37.0144 -37.0144 -30.1513 -30.1513 -29.3663 -29.3663 -29.2555 -29.2555 -5.5157 -5.5157 -4.2363 -4.2363 2.6978 2.6978 5.7826 5.7826 5.8270 5.8270 7.2407 7.2407 8.1273 8.1273 8.2110 8.2110 8.8086 8.8086 8.8400 8.8400 8.8891 8.8891 11.3252 11.3252 11.3644 11.3644 k = 0.0108 0.0186-0.0000 ( 7279 PWs) bands (ev): -55.7743 -55.7743 -37.0144 -37.0144 -30.1512 -30.1512 -29.3661 -29.3661 -29.2555 -29.2555 -5.5207 -5.5207 -4.2388 -4.2388 2.6921 2.6921 5.7995 5.7995 5.8287 5.8287 7.2295 7.2295 8.1777 8.1777 8.2505 8.2505 8.8012 8.8012 8.8170 8.8170 8.8611 8.8611 11.3443 11.3443 11.3702 11.3702 k = 0.0054 0.0093-0.0000 ( 7279 PWs) bands (ev): -55.7743 -55.7743 -37.0144 -37.0144 -30.1511 -30.1511 -29.3660 -29.3660 -29.2555 -29.2555 -5.5237 -5.5237 -4.2403 -4.2403 2.6886 2.6886 5.8077 5.8077 5.8319 5.8319 7.2225 7.2225 8.2081 8.2081 8.2792 8.2792 8.7907 8.7907 8.8017 8.8017 8.8470 8.8470 11.3543 11.3543 11.3757 11.3757 k = 0.0000 0.0000 0.0000 ( 7279 PWs) bands (ev): -55.7743 -55.7743 -37.0144 -37.0144 -30.1511 -30.1511 -29.3660 -29.3660 -29.2555 -29.2555 -5.5247 -5.5247 -4.2408 -4.2408 2.6875 2.6875 5.8098 5.8098 5.8337 5.8337 7.2202 7.2202 8.2181 8.2181 8.2899 8.2899 8.7854 8.7854 8.7963 8.7963 8.8433 8.8433 11.3570 11.3570 11.3782 11.3782 k = 0.0000 0.0000 0.0000 ( 7279 PWs) bands (ev): -55.7743 -55.7743 -37.0144 -37.0144 -30.1511 -30.1511 -29.3660 -29.3660 -29.2555 -29.2555 -5.5247 -5.5247 -4.2408 -4.2408 2.6875 2.6875 5.8098 5.8098 5.8337 5.8337 7.2202 7.2202 8.2181 8.2181 8.2899 8.2899 8.7854 8.7854 8.7963 8.7963 8.8433 8.8433 11.3570 11.3570 11.3782 11.3782 k = 0.0000 0.0000 0.0106 ( 7279 PWs) bands (ev): -55.7743 -55.7743 -37.0144 -37.0144 -30.1511 -30.1511 -29.3660 -29.3660 -29.2555 -29.2555 -5.5242 -5.5242 -4.2418 -4.2418 2.6902 2.6902 5.8098 5.8098 5.8337 5.8337 7.2123 7.2123 8.2178 8.2178 8.2897 8.2897 8.7862 8.7862 8.7963 8.7963 8.8468 8.8468 11.3575 11.3575 11.3788 11.3788 k = 0.0000 0.0000 0.0212 ( 7267 PWs) bands (ev): -55.7743 -55.7743 -37.0144 -37.0144 -30.1511 -30.1511 -29.3660 -29.3660 -29.2555 -29.2555 -5.5225 -5.5225 -4.2448 -4.2448 2.6984 2.6984 5.8100 5.8100 5.8339 5.8339 7.1891 7.1891 8.2169 8.2169 8.2889 8.2889 8.7880 8.7880 8.7961 8.7961 8.8575 8.8575 11.3591 11.3591 11.3803 11.3803 k = 0.0000 0.0000 0.0318 ( 7267 PWs) bands (ev): -55.7743 -55.7743 -37.0144 -37.0144 -30.1511 -30.1511 -29.3660 -29.3660 -29.2555 -29.2555 -5.5196 -5.5196 -4.2499 -4.2499 2.7120 2.7120 5.8104 5.8104 5.8342 5.8342 7.1515 7.1515 8.2155 8.2155 8.2876 8.2876 8.7898 8.7898 8.7958 8.7958 8.8755 8.8755 11.3616 11.3616 11.3829 11.3829 k = 0.0000 0.0000 0.0424 ( 7267 PWs) bands (ev): -55.7743 -55.7743 -37.0144 -37.0144 -30.1511 -30.1511 -29.3660 -29.3660 -29.2555 -29.2555 -5.5157 -5.5157 -4.2568 -4.2568 2.7309 2.7309 5.8108 5.8108 5.8347 5.8347 7.1009 7.1009 8.2135 8.2135 8.2858 8.2858 8.7910 8.7910 8.7954 8.7954 8.9001 8.9001 11.3651 11.3651 11.3865 11.3865 k = 0.0000 0.0000 0.0530 ( 7255 PWs) bands (ev): -55.7743 -55.7743 -37.0144 -37.0144 -30.1511 -30.1511 -29.3660 -29.3660 -29.2554 -29.2554 -5.5106 -5.5106 -4.2657 -4.2657 2.7551 2.7551 5.8114 5.8114 5.8352 5.8352 7.0388 7.0388 8.2111 8.2111 8.2835 8.2835 8.7916 8.7916 8.7948 8.7948 8.9299 8.9299 11.3695 11.3695 11.3910 11.3910 k = 0.0000 0.0000 0.0635 ( 7231 PWs) bands (ev): -55.7743 -55.7743 -37.0144 -37.0144 -30.1511 -30.1511 -29.3660 -29.3660 -29.2554 -29.2554 -5.5045 -5.5045 -4.2763 -4.2763 2.7844 2.7844 5.8120 5.8120 5.8359 5.8359 6.9670 6.9670 8.2082 8.2082 8.2808 8.2808 8.7918 8.7918 8.7942 8.7942 8.9633 8.9633 11.3748 11.3748 11.3964 11.3964 k = 0.0000 0.0000 0.0741 ( 7237 PWs) bands (ev): -55.7743 -55.7743 -37.0144 -37.0144 -30.1511 -30.1511 -29.3660 -29.3660 -29.2554 -29.2554 -5.4974 -5.4974 -4.2885 -4.2885 2.8186 2.8186 5.8128 5.8128 5.8366 5.8366 6.8868 6.8868 8.2050 8.2050 8.2777 8.2777 8.7917 8.7917 8.7934 8.7934 8.9990 8.9990 11.3809 11.3809 11.4027 11.4027 k = 0.0000 0.0000 0.0847 ( 7225 PWs) bands (ev): -55.7743 -55.7743 -37.0144 -37.0144 -30.1511 -30.1511 -29.3660 -29.3660 -29.2554 -29.2554 -5.4894 -5.4894 -4.3023 -4.3023 2.8576 2.8576 5.8137 5.8137 5.8375 5.8375 6.7999 6.7999 8.2015 8.2015 8.2743 8.2743 8.7912 8.7912 8.7926 8.7926 9.0357 9.0357 11.3877 11.3877 11.4096 11.4096 k = 0.0000 0.0000 0.0953 ( 7231 PWs) bands (ev): -55.7743 -55.7743 -37.0144 -37.0144 -30.1511 -30.1511 -29.3660 -29.3660 -29.2554 -29.2554 -5.4805 -5.4805 -4.3174 -4.3174 2.9011 2.9011 5.8146 5.8146 5.8384 5.8384 6.7075 6.7075 8.1977 8.1977 8.2706 8.2706 8.7906 8.7906 8.7916 8.7916 9.0723 9.0723 11.3951 11.3951 11.4171 11.4171 k = 0.0000 0.0000 0.1059 ( 7231 PWs) bands (ev): -55.7743 -55.7743 -37.0144 -37.0144 -30.1511 -30.1511 -29.3660 -29.3660 -29.2554 -29.2554 -5.4707 -5.4707 -4.3337 -4.3337 2.9490 2.9490 5.8156 5.8156 5.8394 5.8394 6.6107 6.6107 8.1938 8.1938 8.2667 8.2667 8.7898 8.7898 8.7906 8.7906 9.1083 9.1083 11.4030 11.4030 11.4252 11.4252 k = 0.0000 0.0000 0.1165 ( 7231 PWs) bands (ev): -55.7743 -55.7743 -37.0144 -37.0144 -30.1511 -30.1511 -29.3660 -29.3660 -29.2554 -29.2554 -5.4602 -5.4602 -4.3511 -4.3511 3.0008 3.0008 5.8166 5.8166 5.8404 5.8404 6.5107 6.5107 8.1896 8.1896 8.2626 8.2626 8.7890 8.7890 8.7895 8.7895 9.1429 9.1429 11.4113 11.4113 11.4337 11.4337 k = 0.0000 0.0000 0.1271 ( 7231 PWs) bands (ev): -55.7743 -55.7743 -37.0144 -37.0144 -30.1511 -30.1511 -29.3660 -29.3660 -29.2554 -29.2554 -5.4491 -5.4491 -4.3692 -4.3692 3.0564 3.0564 5.8177 5.8177 5.8414 5.8414 6.4082 6.4082 8.1854 8.1854 8.2585 8.2585 8.7880 8.7880 8.7884 8.7884 9.1758 9.1758 11.4198 11.4198 11.4424 11.4424 k = 0.0000 0.0000 0.1377 ( 7231 PWs) bands (ev): -55.7743 -55.7743 -37.0144 -37.0144 -30.1511 -30.1511 -29.3660 -29.3660 -29.2554 -29.2554 -5.4374 -5.4374 -4.3879 -4.3879 3.1152 3.1152 5.8188 5.8188 5.8425 5.8425 6.3043 6.3043 8.1812 8.1812 8.2542 8.2542 8.7870 8.7870 8.7872 8.7872 9.2066 9.2066 11.4286 11.4286 11.4513 11.4513 k = 0.0000 0.0000 0.1483 ( 7226 PWs) bands (ev): -55.7743 -55.7743 -37.0144 -37.0144 -30.1511 -30.1511 -29.3660 -29.3660 -29.2554 -29.2554 -5.4254 -5.4254 -4.4070 -4.4070 3.1769 3.1769 5.8199 5.8199 5.8436 5.8436 6.1997 6.1997 8.1770 8.1770 8.2501 8.2501 8.7859 8.7859 8.7860 8.7860 9.2352 9.2352 11.4373 11.4373 11.4602 11.4602 k = 0.0000 0.0000 0.1589 ( 7244 PWs) bands (ev): -55.7743 -55.7743 -37.0144 -37.0144 -30.1511 -30.1511 -29.3660 -29.3660 -29.2554 -29.2554 -5.4131 -5.4131 -4.4262 -4.4262 3.2409 3.2409 5.8209 5.8209 5.8446 5.8446 6.0953 6.0953 8.1729 8.1729 8.2460 8.2460 8.7848 8.7848 8.7848 8.7848 9.2614 9.2614 11.4460 11.4460 11.4691 11.4691 k = 0.0000 0.0000 0.1694 ( 7244 PWs) bands (ev): -55.7743 -55.7743 -37.0144 -37.0144 -30.1511 -30.1511 -29.3660 -29.3660 -29.2554 -29.2554 -5.4008 -5.4008 -4.4452 -4.4452 3.3066 3.3066 5.8219 5.8219 5.8457 5.8457 5.9921 5.9921 8.1689 8.1689 8.2420 8.2420 8.7836 8.7836 8.7837 8.7837 9.2851 9.2851 11.4544 11.4544 11.4777 11.4777 k = 0.0000 0.0000 0.1800 ( 7244 PWs) bands (ev): -55.7743 -55.7743 -37.0144 -37.0144 -30.1511 -30.1511 -29.3660 -29.3660 -29.2554 -29.2554 -5.3886 -5.3886 -4.4637 -4.4637 3.3733 3.3733 5.8228 5.8228 5.8467 5.8467 5.8910 5.8910 8.1652 8.1652 8.2383 8.2383 8.7825 8.7825 8.7827 8.7827 9.3064 9.3064 11.4625 11.4625 11.4859 11.4859 k = 0.0000 0.0000 0.1906 ( 7256 PWs) bands (ev): -55.7743 -55.7743 -37.0144 -37.0144 -30.1511 -30.1511 -29.3660 -29.3660 -29.2554 -29.2554 -5.3767 -5.3767 -4.4815 -4.4815 3.4402 3.4402 5.7923 5.7923 5.8244 5.8244 5.8476 5.8476 8.1616 8.1616 8.2348 8.2348 8.7814 8.7814 8.7817 8.7817 9.3252 9.3252 11.4701 11.4701 11.4937 11.4937 k = 0.0000 0.0000 0.2012 ( 7262 PWs) bands (ev): -55.7743 -55.7743 -37.0144 -37.0144 -30.1511 -30.1511 -29.3660 -29.3660 -29.2554 -29.2554 -5.3653 -5.3653 -4.4983 -4.4983 3.5060 3.5060 5.6990 5.6990 5.8249 5.8249 5.8484 5.8484 8.1584 8.1584 8.2315 8.2315 8.7804 8.7804 8.7807 8.7807 9.3416 9.3416 11.4771 11.4771 11.5008 11.5008 k = 0.0000 0.0000 0.2118 ( 7262 PWs) bands (ev): -55.7743 -55.7743 -37.0144 -37.0144 -30.1511 -30.1511 -29.3660 -29.3660 -29.2554 -29.2554 -5.3548 -5.3548 -4.5137 -4.5137 3.5695 3.5695 5.6112 5.6112 5.8257 5.8257 5.8492 5.8492 8.1556 8.1556 8.2287 8.2287 8.7794 8.7794 8.7799 8.7799 9.3557 9.3557 11.4834 11.4834 11.5073 11.5073 k = 0.0000 0.0000 0.2224 ( 7268 PWs) bands (ev): -55.7743 -55.7743 -37.0144 -37.0144 -30.1511 -30.1511 -29.3660 -29.3660 -29.2554 -29.2554 -5.3453 -5.3453 -4.5274 -4.5274 3.6290 3.6290 5.5309 5.5309 5.8263 5.8263 5.8499 5.8499 8.1531 8.1531 8.2262 8.2262 8.7786 8.7786 8.7791 8.7791 9.3675 9.3675 11.4889 11.4889 11.5129 11.5129 k = 0.0000 0.0000 0.2330 ( 7268 PWs) bands (ev): -55.7743 -55.7743 -37.0144 -37.0144 -30.1511 -30.1511 -29.3660 -29.3660 -29.2554 -29.2554 -5.3370 -5.3370 -4.5392 -4.5392 3.6827 3.6827 5.4602 5.4602 5.8269 5.8269 5.8504 5.8504 8.1510 8.1510 8.2241 8.2241 8.7780 8.7780 8.7785 8.7785 9.3770 9.3770 11.4936 11.4936 11.5176 11.5176 k = 0.0000 0.0000 0.2436 ( 7268 PWs) bands (ev): -55.7743 -55.7743 -37.0144 -37.0144 -30.1511 -30.1511 -29.3660 -29.3660 -29.2554 -29.2554 -5.3304 -5.3304 -4.5486 -4.5486 3.7281 3.7281 5.4015 5.4015 5.8273 5.8273 5.8509 5.8509 8.1493 8.1493 8.2224 8.2224 8.7774 8.7774 8.7779 8.7779 9.3844 9.3844 11.4973 11.4973 11.5214 11.5214 k = 0.0000 0.0000 0.2542 ( 7268 PWs) bands (ev): -55.7743 -55.7743 -37.0144 -37.0144 -30.1511 -30.1511 -29.3660 -29.3660 -29.2554 -29.2554 -5.3254 -5.3254 -4.5556 -4.5556 3.7629 3.7629 5.3571 5.3571 5.8277 5.8277 5.8512 5.8512 8.1481 8.1481 8.2212 8.2212 8.7770 8.7770 8.7776 8.7776 9.3896 9.3896 11.4999 11.4999 11.5241 11.5241 k = 0.0000 0.0000 0.2648 ( 7274 PWs) bands (ev): -55.7743 -55.7743 -37.0144 -37.0144 -30.1511 -30.1511 -29.3660 -29.3660 -29.2554 -29.2554 -5.3224 -5.3224 -4.5599 -4.5599 3.7849 3.7849 5.3294 5.3294 5.8279 5.8279 5.8514 5.8514 8.1474 8.1474 8.2205 8.2205 8.7768 8.7768 8.7773 8.7773 9.3927 9.3927 11.5016 11.5016 11.5258 11.5258 k = 0.0000 0.0000 0.2754 ( 7274 PWs) bands (ev): -55.7743 -55.7743 -37.0144 -37.0144 -30.1511 -30.1511 -29.3660 -29.3660 -29.2554 -29.2554 -5.3214 -5.3214 -4.5613 -4.5613 3.7924 3.7924 5.3199 5.3199 5.8279 5.8279 5.8515 5.8515 8.1472 8.1472 8.2203 8.2203 8.7767 8.7767 8.7773 8.7773 9.3937 9.3937 11.5021 11.5021 11.5263 11.5263 k = 0.0000 0.0000 0.2754 ( 7274 PWs) bands (ev): -55.7743 -55.7743 -37.0144 -37.0144 -30.1511 -30.1511 -29.3660 -29.3660 -29.2554 -29.2554 -5.3214 -5.3214 -4.5613 -4.5613 3.7924 3.7924 5.3199 5.3199 5.8279 5.8279 5.8515 5.8515 8.1472 8.1472 8.2203 8.2203 8.7767 8.7767 8.7773 8.7773 9.3937 9.3937 11.5021 11.5021 11.5263 11.5263 k = 0.0093 0.0053 0.2754 ( 7278 PWs) bands (ev): -55.7743 -55.7743 -37.0144 -37.0144 -30.1511 -30.1511 -29.3660 -29.3660 -29.2554 -29.2554 -5.3204 -5.3204 -4.5607 -4.5607 3.7935 3.7935 5.3138 5.3138 5.8304 5.8304 5.8543 5.8543 8.1374 8.1374 8.2099 8.2099 8.7818 8.7818 8.7835 8.7835 9.3970 9.3970 11.4991 11.4991 11.5235 11.5235 k = 0.0185 0.0107 0.2754 ( 7270 PWs) bands (ev): -55.7743 -55.7743 -37.0144 -37.0144 -30.1512 -30.1512 -29.3661 -29.3661 -29.2554 -29.2554 -5.3174 -5.3174 -4.5591 -4.5591 3.7968 3.7968 5.2962 5.2962 5.8350 5.8350 5.8648 5.8648 8.1073 8.1073 8.1824 8.1824 8.7953 8.7953 8.8014 8.8014 9.4067 9.4067 11.4889 11.4889 11.5164 11.5164 k = 0.0278 0.0160 0.2754 ( 7256 PWs) bands (ev): -55.7742 -55.7742 -37.0144 -37.0144 -30.1513 -30.1513 -29.3663 -29.3663 -29.2554 -29.2554 -5.3124 -5.3124 -4.5564 -4.5564 3.8022 3.8022 5.2689 5.2689 5.8384 5.8384 5.8846 5.8846 8.0563 8.0563 8.1447 8.1447 8.8135 8.8135 8.8288 8.8288 9.4226 9.4226 11.4692 11.4692 11.5077 11.5077 k = 0.0370 0.0214 0.2754 ( 7258 PWs) bands (ev): -55.7742 -55.7742 -37.0143 -37.0143 -30.1515 -30.1515 -29.3666 -29.3666 -29.2554 -29.2554 -5.3054 -5.3054 -4.5525 -4.5525 3.8097 3.8097 5.2340 5.2340 5.8408 5.8408 5.9112 5.9112 7.9862 7.9862 8.1021 8.1021 8.8325 8.8325 8.8632 8.8632 9.4442 9.4442 11.4402 11.4402 11.4981 11.4981 k = 0.0463 0.0267 0.2754 ( 7254 PWs) bands (ev): -55.7741 -55.7741 -37.0143 -37.0143 -30.1517 -30.1517 -29.3670 -29.3670 -29.2554 -29.2554 -5.2964 -5.2964 -4.5476 -4.5476 3.8194 3.8194 5.1933 5.1933 5.8429 5.8429 5.9420 5.9420 7.9012 7.9012 8.0561 8.0561 8.8495 8.8495 8.9026 8.9026 9.4706 9.4706 11.4033 11.4033 11.4872 11.4872 k = 0.0556 0.0321 0.2754 ( 7264 PWs) bands (ev): -55.7741 -55.7741 -37.0143 -37.0143 -30.1520 -30.1520 -29.3674 -29.3674 -29.2555 -29.2555 -5.2855 -5.2855 -4.5417 -4.5417 3.8312 3.8312 5.1484 5.1484 5.8451 5.8451 5.9752 5.9752 7.8051 7.8051 8.0075 8.0075 8.8631 8.8631 8.9451 8.9451 9.5010 9.5010 11.3597 11.3597 11.4747 11.4747 k = 0.0648 0.0374 0.2754 ( 7256 PWs) bands (ev): -55.7740 -55.7740 -37.0142 -37.0142 -30.1523 -30.1523 -29.3680 -29.3680 -29.2555 -29.2555 -5.2726 -5.2726 -4.5346 -4.5346 3.8450 3.8450 5.1004 5.1004 5.8474 5.8474 6.0094 6.0094 7.7005 7.7005 7.9570 7.9570 8.8727 8.8727 8.9897 8.9897 9.5342 9.5342 11.3108 11.3108 11.4606 11.4606 k = 0.0741 0.0428 0.2754 ( 7254 PWs) bands (ev): -55.7739 -55.7739 -37.0142 -37.0142 -30.1527 -30.1527 -29.3686 -29.3686 -29.2555 -29.2555 -5.2578 -5.2578 -4.5266 -4.5266 3.8609 3.8609 5.0501 5.0501 5.8499 5.8499 6.0437 6.0437 7.5891 7.5891 7.9051 7.9051 8.8785 8.8785 9.0352 9.0352 9.5692 9.5692 11.2577 11.2577 11.4450 11.4450 k = 0.0833 0.0481 0.2754 ( 7250 PWs) bands (ev): -55.7738 -55.7738 -37.0141 -37.0141 -30.1531 -30.1531 -29.3692 -29.3692 -29.2555 -29.2555 -5.2411 -5.2411 -4.5175 -4.5175 3.8788 3.8788 4.9981 4.9981 5.8524 5.8524 6.0774 6.0774 7.4723 7.4723 7.8524 7.8524 8.8806 8.8806 9.0811 9.0811 9.6051 9.6051 11.2017 11.2017 11.4282 11.4282 k = 0.0926 0.0535 0.2754 ( 7246 PWs) bands (ev): -55.7737 -55.7737 -37.0140 -37.0140 -30.1535 -30.1535 -29.3700 -29.3700 -29.2555 -29.2555 -5.2225 -5.2225 -4.5074 -4.5074 3.8986 3.8986 4.9449 4.9449 5.8551 5.8551 6.1100 6.1100 7.3510 7.3510 7.7994 7.7994 8.8795 8.8795 9.1266 9.1266 9.6410 9.6410 11.1437 11.1437 11.4102 11.4102 k = 0.1019 0.0588 0.2754 ( 7244 PWs) bands (ev): -55.7736 -55.7736 -37.0140 -37.0140 -30.1540 -30.1540 -29.3708 -29.3708 -29.2556 -29.2556 -5.2020 -5.2020 -4.4963 -4.4963 3.9202 3.9202 4.8908 4.8908 5.8578 5.8578 6.1409 6.1409 7.2262 7.2262 7.7464 7.7464 8.8755 8.8755 9.1715 9.1715 9.6764 9.6764 11.0849 11.0849 11.3913 11.3913 k = 0.1111 0.0642 0.2754 ( 7240 PWs) bands (ev): -55.7735 -55.7735 -37.0139 -37.0139 -30.1546 -30.1546 -29.3717 -29.3717 -29.2556 -29.2556 -5.1798 -5.1798 -4.4842 -4.4842 3.9437 3.9437 4.8361 4.8361 5.8605 5.8605 6.1699 6.1699 7.0984 7.0984 7.6938 7.6938 8.8689 8.8689 9.2153 9.2153 9.7106 9.7106 11.0263 11.0263 11.3717 11.3717 k = 0.1204 0.0695 0.2754 ( 7244 PWs) bands (ev): -55.7734 -55.7734 -37.0138 -37.0138 -30.1552 -30.1552 -29.3726 -29.3726 -29.2556 -29.2556 -5.1558 -5.1558 -4.4712 -4.4712 3.9688 3.9688 4.7809 4.7809 5.8631 5.8631 6.1964 6.1964 6.9685 6.9685 7.6418 7.6418 8.8599 8.8599 9.2577 9.2577 9.7434 9.7434 10.9690 10.9690 11.3517 11.3517 k = 0.1296 0.0748 0.2754 ( 7244 PWs) bands (ev): -55.7732 -55.7732 -37.0137 -37.0137 -30.1558 -30.1558 -29.3736 -29.3736 -29.2556 -29.2556 -5.1300 -5.1300 -4.4572 -4.4572 3.9956 3.9956 4.7256 4.7256 5.8656 5.8656 6.2202 6.2202 6.8369 6.8369 7.5906 7.5906 8.8488 8.8488 9.2986 9.2986 9.7742 9.7742 10.9139 10.9139 11.3314 11.3314 k = 0.1389 0.0802 0.2754 ( 7244 PWs) bands (ev): -55.7731 -55.7731 -37.0136 -37.0136 -30.1564 -30.1564 -29.3747 -29.3747 -29.2557 -29.2557 -5.1026 -5.1026 -4.4424 -4.4424 4.0238 4.0238 4.6702 4.6702 5.8678 5.8678 6.2408 6.2408 6.7046 6.7046 7.5405 7.5405 8.8358 8.8358 9.3377 9.3377 9.8029 9.8029 10.8620 10.8620 11.3112 11.3112 k = 0.1481 0.0855 0.2754 ( 7238 PWs) bands (ev): -55.7730 -55.7730 -37.0135 -37.0135 -30.1571 -30.1571 -29.3758 -29.3758 -29.2557 -29.2557 -5.0735 -5.0735 -4.4267 -4.4267 4.0533 4.0533 4.6150 4.6150 5.8697 5.8697 6.2571 6.2571 6.5728 6.5728 7.4917 7.4917 8.8208 8.8208 9.3748 9.3748 9.8290 9.8290 10.8144 10.8144 11.2911 11.2911 k = 0.1574 0.0909 0.2754 ( 7242 PWs) bands (ev): -55.7728 -55.7728 -37.0134 -37.0134 -30.1578 -30.1578 -29.3770 -29.3770 -29.2557 -29.2557 -5.0429 -5.0429 -4.4102 -4.4102 4.0840 4.0840 4.5599 4.5599 5.8711 5.8711 6.2656 6.2656 6.4453 6.4453 7.4443 7.4443 8.8040 8.8040 9.4097 9.4097 9.8524 9.8524 10.7718 10.7718 11.2715 11.2715 k = 0.1667 0.0962 0.2754 ( 7250 PWs) bands (ev): -55.7726 -55.7726 -37.0133 -37.0133 -30.1586 -30.1586 -29.3782 -29.3782 -29.2557 -29.2557 -5.0107 -5.0107 -4.3930 -4.3930 4.1155 4.1155 4.5053 4.5053 5.8721 5.8721 6.2432 6.2432 6.3457 6.3457 7.3984 7.3984 8.7856 8.7856 9.4425 9.4425 9.8726 9.8726 10.7351 10.7351 11.2524 11.2524 k = 0.1759 0.1016 0.2754 ( 7242 PWs) bands (ev): -55.7725 -55.7725 -37.0132 -37.0132 -30.1594 -30.1594 -29.3794 -29.3794 -29.2557 -29.2557 -4.9771 -4.9771 -4.3749 -4.3749 4.1476 4.1476 4.4511 4.4511 5.8725 5.8725 6.1436 6.1436 6.3206 6.3206 7.3544 7.3544 8.7654 8.7654 9.4730 9.4730 9.8896 9.8896 10.7052 10.7052 11.2342 11.2342 k = 0.1852 0.1069 0.2754 ( 7238 PWs) bands (ev): -55.7723 -55.7723 -37.0131 -37.0131 -30.1602 -30.1602 -29.3807 -29.3807 -29.2557 -29.2557 -4.9421 -4.9421 -4.3562 -4.3562 4.1798 4.1798 4.3977 4.3977 5.8722 5.8722 6.0178 6.0178 6.3196 6.3196 7.3121 7.3121 8.7437 8.7437 9.5011 9.5011 9.9032 9.9032 10.6826 10.6826 11.2168 11.2168 k = 0.1944 0.1123 0.2754 ( 7238 PWs) bands (ev): -55.7721 -55.7721 -37.0130 -37.0130 -30.1610 -30.1610 -29.3820 -29.3820 -29.2557 -29.2557 -4.9058 -4.9058 -4.3368 -4.3368 4.2108 4.2108 4.3460 4.3460 5.8706 5.8706 5.8896 5.8896 6.3198 6.3198 7.2719 7.2719 8.7206 8.7206 9.5267 9.5267 9.9134 9.9134 10.6677 10.6677 11.2005 11.2005 k = 0.2037 0.1176 0.2754 ( 7228 PWs) bands (ev): -55.7719 -55.7719 -37.0128 -37.0128 -30.1619 -30.1619 -29.3834 -29.3834 -29.2557 -29.2557 -4.8683 -4.8683 -4.3167 -4.3167 4.2356 4.2356 4.3005 4.3005 5.7612 5.7612 5.8695 5.8695 6.3181 6.3181 7.2338 7.2338 8.6960 8.6960 9.5500 9.5500 9.9205 9.9205 10.6606 10.6606 11.1853 11.1853 k = 0.2130 0.1230 0.2754 ( 7228 PWs) bands (ev): -55.7718 -55.7718 -37.0127 -37.0127 -30.1627 -30.1627 -29.3848 -29.3848 -29.2558 -29.2558 -4.8297 -4.8297 -4.2961 -4.2961 4.2227 4.2227 4.2918 4.2918 5.6364 5.6364 5.8666 5.8666 6.3138 6.3138 7.1978 7.1978 8.6703 8.6703 9.5709 9.5709 9.9248 9.9248 10.6610 10.6610 11.1712 11.1712 k = 0.2222 0.1283 0.2754 ( 7234 PWs) bands (ev): -55.7716 -55.7716 -37.0126 -37.0126 -30.1636 -30.1636 -29.3862 -29.3862 -29.2558 -29.2558 -4.7900 -4.7900 -4.2749 -4.2749 4.1770 4.1770 4.3144 4.3144 5.5156 5.5156 5.8629 5.8629 6.3066 6.3066 7.1641 7.1641 8.6434 8.6434 9.5894 9.5894 9.9270 9.9270 10.6687 10.6687 11.1585 11.1585 k = 0.2315 0.1336 0.2754 ( 7242 PWs) bands (ev): -55.7714 -55.7714 -37.0125 -37.0125 -30.1645 -30.1645 -29.3876 -29.3876 -29.2558 -29.2558 -4.7494 -4.7494 -4.2533 -4.2533 4.1269 4.1269 4.3384 4.3384 5.4005 5.4005 5.8581 5.8581 6.2969 6.2969 7.1327 7.1327 8.6156 8.6156 9.6057 9.6057 9.9275 9.9275 10.6829 10.6829 11.1470 11.1470 k = 0.2407 0.1390 0.2754 ( 7232 PWs) bands (ev): -55.7712 -55.7712 -37.0123 -37.0123 -30.1654 -30.1654 -29.3890 -29.3890 -29.2557 -29.2557 -4.7080 -4.7080 -4.2312 -4.2312 4.0760 4.0760 4.3582 4.3582 5.2931 5.2931 5.8524 5.8524 6.2846 6.2846 7.1036 7.1036 8.5871 8.5871 9.6198 9.6198 9.9272 9.9272 10.7031 10.7031 11.1367 11.1367 k = 0.2500 0.1443 0.2754 ( 7228 PWs) bands (ev): -55.7710 -55.7710 -37.0122 -37.0122 -30.1663 -30.1663 -29.3904 -29.3904 -29.2557 -29.2557 -4.6659 -4.6659 -4.2087 -4.2087 4.0250 4.0250 4.3705 4.3705 5.1963 5.1963 5.8456 5.8456 6.2701 6.2701 7.0768 7.0768 8.5580 8.5580 9.6318 9.6318 9.9265 9.9265 10.7286 10.7286 11.1278 11.1278 k = 0.2593 0.1497 0.2754 ( 7228 PWs) bands (ev): -55.7708 -55.7708 -37.0121 -37.0121 -30.1672 -30.1672 -29.3919 -29.3919 -29.2557 -29.2557 -4.6232 -4.6232 -4.1859 -4.1859 3.9738 3.9738 4.3720 4.3720 5.1134 5.1134 5.8378 5.8378 6.2538 6.2538 7.0524 7.0524 8.5285 8.5285 9.6419 9.6419 9.9259 9.9259 10.7588 10.7588 11.1200 11.1200 k = 0.2685 0.1550 0.2754 ( 7224 PWs) bands (ev): -55.7706 -55.7706 -37.0120 -37.0120 -30.1681 -30.1681 -29.3933 -29.3933 -29.2557 -29.2557 -4.5802 -4.5802 -4.1627 -4.1627 3.9223 3.9223 4.3593 4.3593 5.0479 5.0479 5.8290 5.8290 6.2361 6.2361 7.0303 7.0303 8.4987 8.4987 9.6501 9.6501 9.9257 9.9257 10.7931 10.7931 11.1133 11.1133 k = 0.2778 0.1604 0.2754 ( 7220 PWs) bands (ev): -55.7704 -55.7704 -37.0118 -37.0118 -30.1690 -30.1690 -29.3947 -29.3947 -29.2557 -29.2557 -4.5369 -4.5369 -4.1393 -4.1393 3.8701 3.8701 4.3302 4.3302 5.0023 5.0023 5.8193 5.8193 6.2176 6.2176 7.0103 7.0103 8.4689 8.4689 9.6568 9.6568 9.9263 9.9263 10.8310 10.8310 11.1077 11.1077 k = 0.2870 0.1657 0.2754 ( 7216 PWs) bands (ev): -55.7702 -55.7702 -37.0117 -37.0117 -30.1699 -30.1699 -29.3961 -29.3961 -29.2557 -29.2557 -4.4935 -4.4935 -4.1157 -4.1157 3.8169 3.8169 4.2857 4.2857 4.9758 4.9758 5.8088 5.8088 6.1987 6.1987 6.9925 6.9925 8.4391 8.4391 9.6620 9.6620 9.9277 9.9277 10.8722 10.8722 11.1030 11.1030 k = 0.2963 0.1711 0.2754 ( 7228 PWs) bands (ev): -55.7701 -55.7701 -37.0116 -37.0116 -30.1708 -30.1708 -29.3974 -29.3974 -29.2556 -29.2556 -4.4502 -4.4502 -4.0919 -4.0919 3.7620 3.7620 4.2294 4.2294 4.9652 4.9652 5.7975 5.7975 6.1802 6.1802 6.9768 6.9768 8.4094 8.4094 9.6659 9.6659 9.9300 9.9300 10.9162 10.9162 11.0993 11.0993 k = 0.3056 0.1764 0.2754 ( 7230 PWs) bands (ev): -55.7699 -55.7699 -37.0115 -37.0115 -30.1717 -30.1717 -29.3988 -29.3988 -29.2556 -29.2556 -4.4072 -4.4072 -4.0679 -4.0679 3.7051 3.7051 4.1663 4.1663 4.9658 4.9658 5.7856 5.7856 6.1627 6.1627 6.9629 6.9629 8.3800 8.3800 9.6686 9.6686 9.9332 9.9332 10.9627 10.9627 11.0963 11.0963 k = 0.3148 0.1818 0.2754 ( 7218 PWs) bands (ev): -55.7697 -55.7697 -37.0113 -37.0113 -30.1725 -30.1725 -29.4001 -29.4001 -29.2556 -29.2556 -4.3647 -4.3647 -4.0439 -4.0439 3.6455 3.6455 4.1010 4.1010 4.9733 4.9733 5.7731 5.7731 6.1468 6.1468 6.9508 6.9508 8.3508 8.3508 9.6704 9.6704 9.9374 9.9374 11.0115 11.0115 11.0941 11.0941 k = 0.3241 0.1871 0.2754 ( 7234 PWs) bands (ev): -55.7695 -55.7695 -37.0112 -37.0112 -30.1734 -30.1734 -29.4014 -29.4014 -29.2556 -29.2556 -4.3230 -4.3230 -4.0197 -4.0197 3.5828 3.5828 4.0371 4.0371 4.9844 4.9844 5.7603 5.7603 6.1333 6.1333 6.9403 6.9403 8.3219 8.3219 9.6713 9.6713 9.9423 9.9423 11.0621 11.0621 11.0927 11.0927 k = 0.3333 0.1925 0.2754 ( 7232 PWs) bands (ev): -55.7694 -55.7694 -37.0111 -37.0111 -30.1742 -30.1742 -29.4027 -29.4027 -29.2555 -29.2555 -4.2822 -4.2822 -3.9954 -3.9954 3.5172 3.5172 3.9768 3.9768 4.9964 4.9964 5.7472 5.7472 6.1227 6.1227 6.9314 6.9314 8.2935 8.2935 9.6715 9.6715 9.9479 9.9479 11.0906 11.0906 11.1155 11.1155 k = 0.3426 0.1978 0.2754 ( 7238 PWs) bands (ev): -55.7692 -55.7692 -37.0110 -37.0110 -30.1750 -30.1750 -29.4039 -29.4039 -29.2555 -29.2555 -4.2427 -4.2427 -3.9711 -3.9711 3.4488 3.4488 3.9215 3.9215 5.0078 5.0078 5.7340 5.7340 6.1157 6.1157 6.9238 6.9238 8.2654 8.2654 9.6712 9.6712 9.9542 9.9542 11.0902 11.0902 11.1692 11.1692 k = 0.3519 0.2031 0.2754 ( 7240 PWs) bands (ev): -55.7690 -55.7690 -37.0109 -37.0109 -30.1757 -30.1757 -29.4050 -29.4050 -29.2555 -29.2555 -4.2047 -4.2047 -3.9467 -3.9467 3.3786 3.3786 3.8715 3.8715 5.0173 5.0173 5.7208 5.7208 6.1126 6.1126 6.9174 6.9174 8.2378 8.2378 9.6704 9.6704 9.9610 9.9610 11.0899 11.0899 11.2244 11.2244 k = 0.3611 0.2085 0.2754 ( 7244 PWs) bands (ev): -55.7689 -55.7689 -37.0108 -37.0108 -30.1765 -30.1765 -29.4061 -29.4061 -29.2555 -29.2555 -4.1685 -4.1685 -3.9224 -3.9224 3.3074 3.3074 3.8268 3.8268 5.0241 5.0241 5.7078 5.7078 6.1136 6.1136 6.9121 6.9121 8.2107 8.2107 9.6693 9.6693 9.9681 9.9681 11.0898 11.0898 11.2806 11.2806 k = 0.3704 0.2138 0.2754 ( 7248 PWs) bands (ev): -55.7687 -55.7687 -37.0107 -37.0107 -30.1772 -30.1772 -29.4072 -29.4072 -29.2554 -29.2554 -4.1343 -4.1343 -3.8980 -3.8980 3.2363 3.2363 3.7871 3.7871 5.0280 5.0280 5.6950 5.6950 6.1188 6.1188 6.9077 6.9077 8.1841 8.1841 9.6679 9.6679 9.9755 9.9755 11.0899 11.0899 11.3373 11.3373 k = 0.3796 0.2192 0.2754 ( 7248 PWs) bands (ev): -55.7686 -55.7686 -37.0106 -37.0106 -30.1778 -30.1778 -29.4082 -29.4082 -29.2554 -29.2554 -4.1023 -4.1023 -3.8738 -3.8738 3.1664 3.1664 3.7517 3.7517 5.0287 5.0287 5.6826 5.6826 6.1279 6.1279 6.9041 6.9041 8.1582 8.1582 9.6664 9.6664 9.9831 9.9831 11.0902 11.0902 11.3944 11.3944 k = 0.3889 0.2245 0.2754 ( 7246 PWs) bands (ev): -55.7685 -55.7685 -37.0106 -37.0106 -30.1784 -30.1784 -29.4091 -29.4091 -29.2554 -29.2554 -4.0726 -4.0726 -3.8498 -3.8498 3.0986 3.0986 3.7203 3.7203 5.0267 5.0267 5.6707 5.6707 6.1405 6.1405 6.9013 6.9013 8.1330 8.1330 9.6647 9.6647 9.9907 9.9907 11.0907 11.0907 11.4514 11.4514 k = 0.3981 0.2299 0.2754 ( 7242 PWs) bands (ev): -55.7684 -55.7684 -37.0105 -37.0105 -30.1790 -30.1790 -29.4100 -29.4100 -29.2553 -29.2553 -4.0455 -4.0455 -3.8262 -3.8262 3.0337 3.0337 3.6925 3.6925 5.0221 5.0221 5.6593 5.6593 6.1561 6.1561 6.8990 6.8990 8.1086 8.1086 9.6631 9.6631 9.9982 9.9982 11.0912 11.0912 11.5078 11.5078 k = 0.4074 0.2352 0.2754 ( 7248 PWs) bands (ev): -55.7683 -55.7683 -37.0104 -37.0104 -30.1796 -30.1796 -29.4108 -29.4108 -29.2553 -29.2553 -4.0210 -4.0210 -3.8032 -3.8032 2.9724 2.9724 3.6678 3.6678 5.0155 5.0155 5.6487 5.6487 6.1739 6.1739 6.8973 6.8973 8.0852 8.0852 9.6614 9.6614 10.0054 10.0054 11.0917 11.0917 11.5633 11.5633 k = 0.4167 0.2406 0.2754 ( 7242 PWs) bands (ev): -55.7682 -55.7682 -37.0103 -37.0103 -30.1801 -30.1801 -29.4116 -29.4116 -29.2553 -29.2553 -3.9990 -3.9990 -3.7812 -3.7812 2.9154 2.9154 3.6462 3.6462 5.0075 5.0075 5.6388 5.6388 6.1932 6.1932 6.8959 6.8959 8.0629 8.0629 9.6599 9.6599 10.0124 10.0124 11.0923 11.0923 11.6171 11.6171 k = 0.4259 0.2459 0.2754 ( 7246 PWs) bands (ev): -55.7681 -55.7681 -37.0103 -37.0103 -30.1805 -30.1805 -29.4122 -29.4122 -29.2553 -29.2553 -3.9796 -3.9796 -3.7604 -3.7604 2.8631 2.8631 3.6272 3.6272 4.9986 4.9986 5.6298 5.6298 6.2132 6.2132 6.8949 6.8949 8.0420 8.0420 9.6584 9.6584 10.0189 10.0189 11.0929 11.0929 11.6687 11.6687 k = 0.4352 0.2513 0.2754 ( 7234 PWs) bands (ev): -55.7680 -55.7680 -37.0102 -37.0102 -30.1809 -30.1809 -29.4128 -29.4128 -29.2552 -29.2552 -3.9627 -3.9627 -3.7411 -3.7411 2.8159 2.8159 3.6108 3.6108 4.9895 4.9895 5.6216 5.6216 6.2331 6.2331 6.8942 6.8942 8.0227 8.0227 9.6571 9.6571 10.0250 10.0250 11.0934 11.0934 11.7173 11.7173 k = 0.4444 0.2566 0.2754 ( 7234 PWs) bands (ev): -55.7679 -55.7679 -37.0102 -37.0102 -30.1812 -30.1812 -29.4134 -29.4134 -29.2552 -29.2552 -3.9482 -3.9482 -3.7237 -3.7237 2.7744 2.7744 3.5968 3.5968 4.9804 4.9804 5.6145 5.6145 6.2521 6.2521 6.8937 6.8937 8.0053 8.0053 9.6559 9.6559 10.0304 10.0304 11.0939 11.0939 11.7622 11.7622 k = 0.4537 0.2619 0.2754 ( 7230 PWs) bands (ev): -55.7679 -55.7679 -37.0101 -37.0101 -30.1815 -30.1815 -29.4138 -29.4138 -29.2552 -29.2552 -3.9360 -3.9360 -3.7085 -3.7085 2.7387 2.7387 3.5852 3.5852 4.9721 4.9721 5.6084 5.6084 6.2695 6.2695 6.8934 6.8934 7.9899 7.9899 9.6548 9.6548 10.0351 10.0351 11.0944 11.0944 11.8024 11.8024 k = 0.4630 0.2673 0.2754 ( 7240 PWs) bands (ev): -55.7678 -55.7678 -37.0101 -37.0101 -30.1818 -30.1818 -29.4142 -29.4142 -29.2552 -29.2552 -3.9262 -3.9262 -3.6956 -3.6956 2.7091 2.7091 3.5757 3.5757 4.9647 4.9647 5.6033 5.6033 6.2848 6.2848 6.8932 6.8932 7.9769 7.9769 9.6540 9.6540 10.0391 10.0391 11.0947 11.0947 11.8371 11.8371 k = 0.4722 0.2726 0.2754 ( 7236 PWs) bands (ev): -55.7678 -55.7678 -37.0101 -37.0101 -30.1820 -30.1820 -29.4145 -29.4145 -29.2552 -29.2552 -3.9186 -3.9186 -3.6854 -3.6854 2.6859 2.6859 3.5685 3.5685 4.9587 4.9587 5.5993 5.5993 6.2972 6.2972 6.8931 6.8931 7.9665 7.9665 9.6533 9.6533 10.0422 10.0422 11.0951 11.0951 11.8652 11.8652 k = 0.4815 0.2780 0.2754 ( 7236 PWs) bands (ev): -55.7677 -55.7677 -37.0101 -37.0101 -30.1821 -30.1821 -29.4147 -29.4147 -29.2552 -29.2552 -3.9132 -3.9132 -3.6780 -3.6780 2.6692 2.6692 3.5633 3.5633 4.9542 4.9542 5.5964 5.5964 6.3064 6.3064 6.8930 6.8930 7.9589 7.9589 9.6528 9.6528 10.0445 10.0445 11.0953 11.0953 11.8860 11.8860 k = 0.4907 0.2833 0.2754 ( 7240 PWs) bands (ev): -55.7677 -55.7677 -37.0101 -37.0101 -30.1822 -30.1822 -29.4148 -29.4148 -29.2552 -29.2552 -3.9099 -3.9099 -3.6734 -3.6734 2.6591 2.6591 3.5602 3.5602 4.9514 4.9514 5.5947 5.5947 6.3121 6.3121 6.8929 6.8929 7.9542 7.9542 9.6525 9.6525 10.0459 10.0459 11.0954 11.0954 11.8988 11.8988 k = 0.5000 0.2887 0.2754 ( 7248 PWs) bands (ev): -55.7677 -55.7677 -37.0101 -37.0101 -30.1822 -30.1822 -29.4148 -29.4148 -29.2552 -29.2552 -3.9089 -3.9089 -3.6719 -3.6719 2.6558 2.6558 3.5592 3.5592 4.9505 4.9505 5.5941 5.5941 6.3140 6.3140 6.8929 6.8929 7.9527 7.9527 9.6524 9.6524 10.0464 10.0464 11.0954 11.0954 11.9031 11.9031 k = 0.5000 0.2887 0.2754 ( 7248 PWs) bands (ev): -55.7677 -55.7677 -37.0101 -37.0101 -30.1822 -30.1822 -29.4148 -29.4148 -29.2552 -29.2552 -3.9089 -3.9089 -3.6719 -3.6719 2.6558 2.6558 3.5592 3.5592 4.9505 4.9505 5.5941 5.5941 6.3140 6.3140 6.8929 6.8929 7.9527 7.9527 9.6524 9.6524 10.0464 10.0464 11.0954 11.0954 11.9031 11.9031 k = 0.4946 0.2980 0.2754 ( 7248 PWs) bands (ev): -55.7677 -55.7677 -37.0101 -37.0101 -30.1822 -30.1822 -29.4148 -29.4148 -29.2552 -29.2552 -3.9083 -3.9083 -3.6718 -3.6718 2.6571 2.6571 3.5597 3.5597 4.9506 4.9506 5.5926 5.5926 6.3128 6.3128 6.8835 6.8835 7.9593 7.9593 9.6526 9.6526 10.0456 10.0456 11.0927 11.0927 11.9038 11.9038 k = 0.4892 0.3073 0.2754 ( 7244 PWs) bands (ev): -55.7677 -55.7677 -37.0100 -37.0100 -30.1822 -30.1822 -29.4149 -29.4149 -29.2552 -29.2552 -3.9067 -3.9067 -3.6713 -3.6713 2.6610 2.6610 3.5611 3.5611 4.9511 4.9511 5.5879 5.5879 6.3092 6.3092 6.8559 6.8559 7.9783 7.9783 9.6534 9.6534 10.0435 10.0435 11.0845 11.0845 11.9058 11.9058 k = 0.4839 0.3166 0.2754 ( 7236 PWs) bands (ev): -55.7677 -55.7677 -37.0100 -37.0100 -30.1823 -30.1823 -29.4149 -29.4149 -29.2552 -29.2552 -3.9040 -3.9040 -3.6706 -3.6706 2.6675 2.6675 3.5635 3.5635 4.9519 4.9519 5.5802 5.5802 6.3031 6.3031 6.8122 6.8122 8.0079 8.0079 9.6546 9.6546 10.0400 10.0400 11.0712 11.0712 11.9089 11.9089 k = 0.4785 0.3259 0.2754 ( 7236 PWs) bands (ev): -55.7677 -55.7677 -37.0100 -37.0100 -30.1823 -30.1823 -29.4150 -29.4150 -29.2552 -29.2552 -3.9003 -3.9003 -3.6695 -3.6695 2.6767 2.6767 3.5668 3.5668 4.9529 4.9529 5.5696 5.5696 6.2946 6.2946 6.7551 6.7551 8.0459 8.0459 9.6562 9.6562 10.0351 10.0351 11.0537 11.0537 11.9128 11.9128 k = 0.4731 0.3352 0.2754 ( 7236 PWs) bands (ev): -55.7677 -55.7677 -37.0100 -37.0100 -30.1824 -30.1824 -29.4151 -29.4151 -29.2553 -29.2553 -3.8956 -3.8956 -3.6681 -3.6681 2.6884 2.6884 3.5710 3.5710 4.9539 4.9539 5.5562 5.5562 6.2836 6.2836 6.6874 6.6874 8.0899 8.0899 9.6583 9.6583 10.0287 10.0287 11.0326 11.0326 11.9172 11.9172 k = 0.4677 0.3445 0.2754 ( 7232 PWs) bands (ev): -55.7677 -55.7677 -37.0100 -37.0100 -30.1825 -30.1825 -29.4153 -29.4153 -29.2553 -29.2553 -3.8898 -3.8898 -3.6665 -3.6665 2.7027 2.7027 3.5761 3.5761 4.9547 4.9547 5.5401 5.5401 6.2701 6.2701 6.6114 6.6114 8.1380 8.1380 9.6607 9.6607 10.0210 10.0210 11.0089 11.0089 11.9216 11.9216 k = 0.4624 0.3539 0.2754 ( 7228 PWs) bands (ev): -55.7676 -55.7676 -37.0100 -37.0100 -30.1825 -30.1825 -29.4154 -29.4154 -29.2554 -29.2554 -3.8831 -3.8831 -3.6647 -3.6647 2.7196 2.7196 3.5821 3.5821 4.9552 4.9552 5.5216 5.5216 6.2539 6.2539 6.5296 6.5296 8.1889 8.1889 9.6633 9.6633 10.0119 10.0119 10.9836 10.9836 11.9256 11.9256 k = 0.4570 0.3632 0.2754 ( 7224 PWs) bands (ev): -55.7676 -55.7676 -37.0100 -37.0100 -30.1826 -30.1826 -29.4156 -29.4156 -29.2554 -29.2554 -3.8755 -3.8755 -3.6626 -3.6626 2.7391 2.7391 3.5889 3.5889 4.9548 4.9548 5.5007 5.5007 6.2350 6.2350 6.4439 6.4439 8.2414 8.2414 9.6661 9.6661 10.0014 10.0014 10.9577 10.9577 11.9287 11.9287 k = 0.4516 0.3725 0.2754 ( 7228 PWs) bands (ev): -55.7676 -55.7676 -37.0099 -37.0099 -30.1827 -30.1827 -29.4158 -29.4158 -29.2555 -29.2555 -3.8670 -3.8670 -3.6602 -3.6602 2.7610 2.7610 3.5965 3.5965 4.9533 4.9533 5.4778 5.4778 6.2130 6.2130 6.3565 6.3565 8.2949 8.2949 9.6688 9.6688 9.9895 9.9895 10.9324 10.9324 11.9305 11.9305 k = 0.4462 0.3818 0.2754 ( 7246 PWs) bands (ev): -55.7675 -55.7675 -37.0099 -37.0099 -30.1829 -30.1829 -29.4160 -29.4160 -29.2555 -29.2555 -3.8576 -3.8576 -3.6577 -3.6577 2.7855 2.7855 3.6048 3.6048 4.9501 4.9501 5.4530 5.4530 6.1861 6.1861 6.2709 6.2709 8.3488 8.3488 9.6712 9.6712 9.9763 9.9763 10.9084 10.9084 11.9307 11.9307 k = 0.4409 0.3911 0.2754 ( 7252 PWs) bands (ev): -55.7675 -55.7675 -37.0099 -37.0099 -30.1830 -30.1830 -29.4162 -29.4162 -29.2556 -29.2556 -3.8475 -3.8475 -3.6550 -3.6550 2.8125 2.8125 3.6138 3.6138 4.9444 4.9444 5.4266 5.4266 6.1444 6.1444 6.1986 6.1986 8.4030 8.4030 9.6732 9.6732 9.9617 9.9617 10.8868 10.8868 11.9289 11.9289 k = 0.4355 0.4004 0.2754 ( 7240 PWs) bands (ev): -55.7675 -55.7675 -37.0099 -37.0099 -30.1831 -30.1831 -29.4164 -29.4164 -29.2557 -29.2557 -3.8367 -3.8367 -3.6522 -3.6522 2.8419 2.8419 3.6234 3.6234 4.9354 4.9354 5.3987 5.3987 6.0740 6.0740 6.1553 6.1553 8.4571 8.4571 9.6744 9.6744 9.9459 9.9459 10.8683 10.8683 11.9250 11.9250 k = 0.4301 0.4097 0.2754 ( 7248 PWs) bands (ev): -55.7674 -55.7674 -37.0099 -37.0099 -30.1832 -30.1832 -29.4167 -29.4167 -29.2557 -29.2557 -3.8252 -3.8252 -3.6493 -3.6493 2.8737 2.8737 3.6335 3.6335 4.9221 4.9221 5.3696 5.3696 5.9949 5.9949 6.1230 6.1230 8.5111 8.5111 9.6745 9.6745 9.9287 9.9287 10.8536 10.8536 11.9186 11.9186 k = 0.4247 0.4190 0.2754 ( 7248 PWs) bands (ev): -55.7674 -55.7674 -37.0098 -37.0098 -30.1834 -30.1834 -29.4170 -29.4170 -29.2558 -29.2558 -3.8132 -3.8132 -3.6463 -3.6463 2.9079 2.9079 3.6441 3.6441 4.9032 4.9032 5.3395 5.3395 5.9187 5.9187 6.0919 6.0919 8.5650 8.5650 9.6733 9.6733 9.9104 9.9104 10.8434 10.8434 11.9097 11.9097 k = 0.4194 0.4284 0.2754 ( 7238 PWs) bands (ev): -55.7674 -55.7674 -37.0098 -37.0098 -30.1835 -30.1835 -29.4172 -29.4172 -29.2559 -29.2559 -3.8007 -3.8007 -3.6433 -3.6433 2.9444 2.9444 3.6550 3.6550 4.8776 4.8776 5.3086 5.3086 5.8489 5.8489 6.0607 6.0607 8.6188 8.6188 9.6705 9.6705 9.8908 9.8908 10.8382 10.8382 11.8981 11.8981 k = 0.4140 0.4377 0.2754 ( 7226 PWs) bands (ev): -55.7673 -55.7673 -37.0098 -37.0098 -30.1837 -30.1837 -29.4175 -29.4175 -29.2560 -29.2560 -3.7878 -3.7878 -3.6403 -3.6403 2.9832 2.9832 3.6661 3.6661 4.8441 4.8441 5.2772 5.2772 5.7875 5.7875 6.0290 6.0290 8.6724 8.6724 9.6659 9.6659 9.8700 9.8700 10.8382 10.8382 11.8838 11.8838 k = 0.4086 0.4470 0.2754 ( 7230 PWs) bands (ev): -55.7673 -55.7673 -37.0098 -37.0098 -30.1838 -30.1838 -29.4178 -29.4178 -29.2560 -29.2560 -3.7746 -3.7746 -3.6374 -3.6374 3.0243 3.0243 3.6773 3.6773 4.8021 4.8021 5.2455 5.2455 5.7357 5.7357 5.9972 5.9972 8.7259 8.7259 9.6594 9.6594 9.8482 9.8482 10.8438 10.8438 11.8666 11.8666 k = 0.4032 0.4563 0.2754 ( 7226 PWs) bands (ev): -55.7672 -55.7672 -37.0097 -37.0097 -30.1840 -30.1840 -29.4180 -29.4180 -29.2561 -29.2561 -3.7612 -3.7612 -3.6345 -3.6345 3.0676 3.0676 3.6885 3.6885 4.7514 4.7514 5.2139 5.2139 5.6941 5.6941 5.9653 5.9653 8.7793 8.7793 9.6508 9.6508 9.8253 9.8253 10.8550 10.8550 11.8467 11.8467 k = 0.3978 0.4656 0.2754 ( 7228 PWs) bands (ev): -55.7672 -55.7672 -37.0097 -37.0097 -30.1841 -30.1841 -29.4183 -29.4183 -29.2562 -29.2562 -3.7478 -3.7478 -3.6318 -3.6318 3.1130 3.1130 3.6995 3.6995 4.6926 4.6926 5.1825 5.1825 5.6623 5.6623 5.9338 5.9338 8.8326 8.8326 9.6404 9.6404 9.8013 9.8013 10.8716 10.8716 11.8239 11.8239 k = 0.3925 0.4749 0.2754 ( 7228 PWs) bands (ev): -55.7672 -55.7672 -37.0097 -37.0097 -30.1843 -30.1843 -29.4186 -29.4186 -29.2562 -29.2562 -3.7344 -3.7344 -3.6293 -3.6293 3.1605 3.1605 3.7101 3.7101 4.6270 4.6270 5.1517 5.1517 5.6396 5.6396 5.9028 5.9028 8.8859 8.8859 9.6281 9.6281 9.7765 9.7765 10.8935 10.8935 11.7983 11.7983 k = 0.3871 0.4842 0.2754 ( 7220 PWs) bands (ev): -55.7671 -55.7671 -37.0096 -37.0096 -30.1844 -30.1844 -29.4188 -29.4188 -29.2563 -29.2563 -3.7211 -3.7211 -3.6270 -3.6270 3.2100 3.2100 3.7201 3.7201 4.5558 4.5558 5.1219 5.1219 5.6248 5.6248 5.8728 5.8728 8.9390 8.9390 9.6141 9.6141 9.7508 9.7508 10.9204 10.9204 11.7699 11.7699 k = 0.3817 0.4935 0.2754 ( 7228 PWs) bands (ev): -55.7671 -55.7671 -37.0096 -37.0096 -30.1846 -30.1846 -29.4191 -29.4191 -29.2563 -29.2563 -3.7082 -3.7082 -3.6249 -3.6249 3.2614 3.2614 3.7294 3.7294 4.4808 4.4808 5.0933 5.0933 5.6164 5.6164 5.8439 5.8439 8.9919 8.9919 9.5986 9.5986 9.7243 9.7243 10.9519 10.9519 11.7388 11.7388 k = 0.3763 0.5029 0.2754 ( 7232 PWs) bands (ev): -55.7670 -55.7670 -37.0096 -37.0096 -30.1847 -30.1847 -29.4193 -29.4193 -29.2564 -29.2564 -3.6957 -3.6957 -3.6232 -3.6232 3.3147 3.3147 3.7377 3.7377 4.4034 4.4034 5.0664 5.0664 5.6132 5.6132 5.8164 5.8164 9.0446 9.0446 9.5818 9.5818 9.6973 9.6973 10.9875 10.9875 11.7051 11.7051 k = 0.3710 0.5122 0.2754 ( 7240 PWs) bands (ev): -55.7670 -55.7670 -37.0096 -37.0096 -30.1849 -30.1849 -29.4196 -29.4196 -29.2564 -29.2564 -3.6837 -3.6837 -3.6219 -3.6219 3.3697 3.3697 3.7449 3.7449 4.3250 4.3250 5.0415 5.0415 5.6141 5.6141 5.7906 5.7906 9.0971 9.0971 9.5641 9.5641 9.6697 9.6697 11.0268 11.0268 11.6688 11.6688 k = 0.3656 0.5215 0.2754 ( 7232 PWs) bands (ev): -55.7670 -55.7670 -37.0096 -37.0096 -30.1850 -30.1850 -29.4198 -29.4198 -29.2565 -29.2565 -3.6725 -3.6725 -3.6210 -3.6210 3.4264 3.4264 3.7507 3.7507 4.2467 4.2467 5.0189 5.0189 5.6182 5.6182 5.7667 5.7667 9.1491 9.1491 9.5455 9.5455 9.6418 9.6418 11.0691 11.0691 11.6301 11.6301 k = 0.3602 0.5308 0.2754 ( 7228 PWs) bands (ev): -55.7670 -55.7670 -37.0095 -37.0095 -30.1851 -30.1851 -29.4199 -29.4199 -29.2565 -29.2565 -3.6621 -3.6621 -3.6206 -3.6206 3.4844 3.4844 3.7549 3.7549 4.1697 4.1697 4.9991 4.9991 5.6244 5.6244 5.7447 5.7447 9.2006 9.2006 9.5264 9.5264 9.6136 9.6136 11.1141 11.1141 11.5891 11.5891 k = 0.3548 0.5401 0.2754 ( 7244 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1852 -30.1852 -29.4201 -29.4201 -29.2565 -29.2565 -3.6527 -3.6527 -3.6207 -3.6207 3.5437 3.5437 3.7575 3.7575 4.0950 4.0950 4.9824 4.9824 5.6323 5.6323 5.7250 5.7250 9.2513 9.2513 9.5070 9.5070 9.5855 9.5855 11.1611 11.1611 11.5461 11.5461 k = 0.3495 0.5494 0.2754 ( 7236 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1852 -30.1852 -29.4202 -29.4202 -29.2565 -29.2565 -3.6445 -3.6445 -3.6214 -3.6214 3.6035 3.6035 3.7582 3.7582 4.0235 4.0235 4.9691 4.9691 5.6411 5.6411 5.7075 5.7075 9.3008 9.3008 9.4875 9.4875 9.5577 9.5577 11.2096 11.2096 11.5012 11.5012 k = 0.3441 0.5587 0.2754 ( 7236 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1853 -30.1853 -29.4203 -29.4203 -29.2565 -29.2565 -3.6377 -3.6377 -3.6226 -3.6226 3.6626 3.6626 3.7572 3.7572 3.9571 3.9571 4.9594 4.9594 5.6504 5.6504 5.6925 5.6925 9.3485 9.3485 9.4682 9.4682 9.5307 9.5307 11.2590 11.2590 11.4548 11.4548 k = 0.3387 0.5680 0.2754 ( 7224 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1853 -30.1853 -29.4204 -29.4204 -29.2566 -29.2566 -3.6326 -3.6326 -3.6242 -3.6242 3.7165 3.7165 3.7548 3.7548 3.9004 3.9004 4.9535 4.9535 5.6594 5.6594 5.6802 5.6802 9.3916 9.3916 9.4504 9.4504 9.5062 9.5062 11.3088 11.3088 11.4070 11.4070 k = 0.3333 0.5774 0.2754 ( 7212 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1853 -30.1853 -29.4204 -29.4204 -29.2566 -29.2566 -3.6303 -3.6303 -3.6253 -3.6253 3.7421 3.7421 3.7555 3.7555 3.8722 3.8722 4.9515 4.9515 5.6655 5.6655 5.6732 5.6732 9.4142 9.4142 9.4419 9.4419 9.4923 9.4923 11.3571 11.3571 11.3594 11.3594 k = 0.3333 0.5774 0.2754 ( 7212 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1853 -30.1853 -29.4204 -29.4204 -29.2566 -29.2566 -3.6303 -3.6303 -3.6253 -3.6253 3.7421 3.7421 3.7555 3.7555 3.8722 3.8722 4.9515 4.9515 5.6655 5.6655 5.6732 5.6732 9.4142 9.4142 9.4419 9.4419 9.4923 9.4923 11.3571 11.3571 11.3594 11.3594 k = 0.3280 0.5680 0.2754 ( 7224 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1853 -30.1853 -29.4204 -29.4204 -29.2566 -29.2566 -3.6322 -3.6322 -3.6246 -3.6246 3.7259 3.7259 3.7450 3.7450 3.9010 3.9010 4.9535 4.9535 5.6609 5.6609 5.6787 5.6787 9.4023 9.4023 9.4338 9.4338 9.5121 9.5121 11.3088 11.3088 11.4069 11.4069 k = 0.3226 0.5587 0.2754 ( 7232 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1853 -30.1853 -29.4203 -29.4203 -29.2565 -29.2565 -3.6362 -3.6362 -3.6246 -3.6246 3.6846 3.6846 3.7354 3.7354 3.9581 3.9581 4.9594 4.9594 5.6562 5.6562 5.6859 5.6859 9.3839 9.3839 9.4135 9.4135 9.5501 9.5501 11.2591 11.2591 11.4540 11.4540 k = 0.3172 0.5494 0.2754 ( 7236 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1852 -30.1852 -29.4202 -29.4202 -29.2565 -29.2565 -3.6412 -3.6412 -3.6263 -3.6263 3.6402 3.6402 3.7260 3.7260 4.0227 4.0227 4.9691 4.9691 5.6539 5.6539 5.6921 5.6921 9.3645 9.3645 9.3915 9.3915 9.5904 9.5904 11.2094 11.2094 11.4989 11.4989 k = 0.3118 0.5401 0.2754 ( 7228 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1851 -30.1851 -29.4200 -29.4200 -29.2565 -29.2565 -3.6471 -3.6471 -3.6300 -3.6300 3.5987 3.5987 3.7159 3.7159 4.0902 4.0902 4.9825 4.9825 5.6541 5.6541 5.6969 5.6969 9.3446 9.3446 9.3704 9.3704 9.6297 9.6297 11.1603 11.1603 11.5411 11.5411 k = 0.3065 0.5308 0.2754 ( 7228 PWs) bands (ev): -55.7670 -55.7670 -37.0096 -37.0096 -30.1850 -30.1850 -29.4198 -29.4198 -29.2565 -29.2565 -3.6539 -3.6539 -3.6359 -3.6359 3.5616 3.5616 3.7053 3.7053 4.1592 4.1592 4.9994 4.9994 5.6569 5.6569 5.7000 5.7000 9.3246 9.3246 9.3508 9.3508 9.6672 9.6672 11.1120 11.1120 11.5798 11.5798 k = 0.3011 0.5215 0.2754 ( 7220 PWs) bands (ev): -55.7670 -55.7670 -37.0096 -37.0096 -30.1848 -30.1848 -29.4196 -29.4196 -29.2565 -29.2565 -3.6617 -3.6617 -3.6439 -3.6439 3.5297 3.5297 3.6945 3.6945 4.2291 4.2291 5.0196 5.0196 5.6621 5.6621 5.7014 5.7014 9.3049 9.3049 9.3326 9.3326 9.7024 9.7024 11.0650 11.0650 11.6145 11.6145 k = 0.2957 0.5122 0.2754 ( 7216 PWs) bands (ev): -55.7671 -55.7671 -37.0096 -37.0096 -30.1846 -30.1846 -29.4193 -29.4193 -29.2565 -29.2565 -3.6704 -3.6704 -3.6543 -3.6543 3.5032 3.5032 3.6838 3.6838 4.2994 4.2994 5.0429 5.0429 5.6696 5.6696 5.7008 5.7008 9.2857 9.2857 9.3158 9.3158 9.7348 9.7348 11.0198 11.0198 11.6445 11.6445 k = 0.2903 0.5029 0.2754 ( 7228 PWs) bands (ev): -55.7671 -55.7671 -37.0096 -37.0096 -30.1844 -30.1844 -29.4189 -29.4189 -29.2564 -29.2564 -3.6801 -3.6801 -3.6669 -3.6669 3.4824 3.4824 3.6735 3.6735 4.3701 4.3701 5.0691 5.0691 5.6790 5.6790 5.6988 5.6988 9.2675 9.2675 9.3002 9.3002 9.7643 9.7643 10.9767 10.9767 11.6694 11.6694 k = 0.2849 0.4935 0.2754 ( 7228 PWs) bands (ev): -55.7672 -55.7672 -37.0097 -37.0097 -30.1842 -30.1842 -29.4185 -29.4185 -29.2564 -29.2564 -3.6909 -3.6909 -3.6819 -3.6819 3.4674 3.4674 3.6639 3.6639 4.4406 4.4406 5.0980 5.0980 5.6861 5.6861 5.6992 5.6992 9.2505 9.2505 9.2857 9.2857 9.7907 9.7907 10.9361 10.9361 11.6887 11.6887 k = 0.2796 0.4842 0.2754 ( 7228 PWs) bands (ev): -55.7672 -55.7672 -37.0097 -37.0097 -30.1839 -30.1839 -29.4180 -29.4180 -29.2564 -29.2564 -3.7034 -3.7034 -3.6984 -3.6984 3.4584 3.4584 3.6552 3.6552 4.5109 4.5109 5.1294 5.1294 5.6822 5.6822 5.7106 5.7106 9.2348 9.2348 9.2722 9.2722 9.8139 9.8139 10.8983 10.8983 11.7022 11.7022 k = 0.2742 0.4749 0.2754 ( 7224 PWs) bands (ev): -55.7673 -55.7673 -37.0098 -37.0098 -30.1836 -30.1836 -29.4175 -29.4175 -29.2563 -29.2563 -3.7208 -3.7208 -3.7134 -3.7134 3.4554 3.4554 3.6477 3.6477 4.5805 4.5805 5.1632 5.1632 5.6733 5.6733 5.7271 5.7271 9.2204 9.2204 9.2596 9.2596 9.8337 9.8337 10.8637 10.8637 11.7095 11.7095 k = 0.2688 0.4656 0.2754 ( 7232 PWs) bands (ev): -55.7674 -55.7674 -37.0098 -37.0098 -30.1832 -30.1832 -29.4169 -29.4169 -29.2563 -29.2563 -3.7427 -3.7427 -3.7273 -3.7273 3.4583 3.4583 3.6417 3.6417 4.6491 4.6491 5.1993 5.1993 5.6618 5.6618 5.7463 5.7463 9.2073 9.2073 9.2480 9.2480 9.8504 9.8504 10.8324 10.8324 11.7108 11.7108 k = 0.2634 0.4563 0.2754 ( 7242 PWs) bands (ev): -55.7675 -55.7675 -37.0099 -37.0099 -30.1828 -30.1828 -29.4163 -29.4163 -29.2563 -29.2563 -3.7671 -3.7671 -3.7418 -3.7418 3.4673 3.4673 3.6373 3.6373 4.7165 4.7165 5.2374 5.2374 5.6482 5.6482 5.7675 5.7675 9.1954 9.1954 9.2374 9.2374 9.8639 9.8639 10.8046 10.8046 11.7061 11.7061 k = 0.2581 0.4470 0.2754 ( 7258 PWs) bands (ev): -55.7676 -55.7676 -37.0100 -37.0100 -30.1824 -30.1824 -29.4156 -29.4156 -29.2562 -29.2562 -3.7940 -3.7940 -3.7571 -3.7571 3.4821 3.4821 3.6346 3.6346 4.7821 4.7821 5.2776 5.2776 5.6330 5.6330 5.7907 5.7907 9.1845 9.1845 9.2277 9.2277 9.8748 9.8748 10.7802 10.7802 11.6956 11.6956 k = 0.2527 0.4377 0.2754 ( 7262 PWs) bands (ev): -55.7677 -55.7677 -37.0100 -37.0100 -30.1819 -30.1819 -29.4149 -29.4149 -29.2562 -29.2562 -3.8230 -3.8230 -3.7732 -3.7732 3.5027 3.5027 3.6339 3.6339 4.8453 4.8453 5.3196 5.3196 5.6166 5.6166 5.8156 5.8156 9.1746 9.1746 9.2189 9.2189 9.8834 9.8834 10.7591 10.7591 11.6796 11.6796 k = 0.2473 0.4284 0.2754 ( 7258 PWs) bands (ev): -55.7678 -55.7678 -37.0101 -37.0101 -30.1814 -30.1814 -29.4141 -29.4141 -29.2562 -29.2562 -3.8541 -3.8541 -3.7902 -3.7902 3.5291 3.5291 3.6352 3.6352 4.9055 4.9055 5.3636 5.3636 5.5996 5.5996 5.8420 5.8420 9.1654 9.1654 9.2111 9.2111 9.8902 9.8902 10.7411 10.7411 11.6586 11.6586 k = 0.2419 0.4190 0.2754 ( 7262 PWs) bands (ev): -55.7679 -55.7679 -37.0102 -37.0102 -30.1808 -30.1808 -29.4132 -29.4132 -29.2561 -29.2561 -3.8872 -3.8872 -3.8079 -3.8079 3.5609 3.5609 3.6386 3.6386 4.9617 4.9617 5.4093 5.4093 5.5831 5.5831 5.8699 5.8699 9.1567 9.1567 9.2044 9.2044 9.8959 9.8959 10.7261 10.7261 11.6329 11.6329 k = 0.2366 0.4097 0.2754 ( 7250 PWs) bands (ev): -55.7680 -55.7680 -37.0103 -37.0103 -30.1803 -30.1803 -29.4123 -29.4123 -29.2561 -29.2561 -3.9221 -3.9221 -3.8264 -3.8264 3.5979 3.5979 3.6444 3.6444 5.0127 5.0127 5.4568 5.4568 5.5683 5.5683 5.8989 5.8989 9.1483 9.1483 9.1986 9.1986 9.9010 9.9010 10.7135 10.7135 11.6030 11.6030 k = 0.2312 0.4004 0.2754 ( 7246 PWs) bands (ev): -55.7682 -55.7682 -37.0103 -37.0103 -30.1796 -30.1796 -29.4113 -29.4113 -29.2561 -29.2561 -3.9588 -3.9588 -3.8457 -3.8457 3.6387 3.6387 3.6539 3.6539 5.0566 5.0566 5.5059 5.5059 5.5569 5.5569 5.9288 5.9288 9.1400 9.1400 9.1938 9.1938 9.9062 9.9062 10.7032 10.7032 11.5695 11.5695 k = 0.2258 0.3911 0.2754 ( 7238 PWs) bands (ev): -55.7683 -55.7683 -37.0104 -37.0104 -30.1790 -30.1790 -29.4103 -29.4103 -29.2561 -29.2561 -3.9970 -3.9970 -3.8656 -3.8656 3.6604 3.6604 3.6895 3.6895 5.0916 5.0916 5.5505 5.5505 5.5571 5.5571 5.9596 5.9596 9.1316 9.1316 9.1902 9.1902 9.9120 9.9120 10.6949 10.6949 11.5329 11.5329 k = 0.2204 0.3818 0.2754 ( 7238 PWs) bands (ev): -55.7684 -55.7684 -37.0105 -37.0105 -30.1783 -30.1783 -29.4093 -29.4093 -29.2560 -29.2560 -4.0367 -4.0367 -3.8861 -3.8861 3.6734 3.6734 3.7408 3.7408 5.1158 5.1158 5.5524 5.5524 5.6093 5.6093 5.9908 5.9908 9.1231 9.1231 9.1877 9.1877 9.9188 9.9188 10.6882 10.6882 11.4934 11.4934 k = 0.2151 0.3725 0.2754 ( 7254 PWs) bands (ev): -55.7686 -55.7686 -37.0106 -37.0106 -30.1776 -30.1776 -29.4082 -29.4082 -29.2560 -29.2560 -4.0776 -4.0776 -3.9072 -3.9072 3.6881 3.6881 3.7968 3.7968 5.1280 5.1280 5.5627 5.5627 5.6633 5.6633 6.0224 6.0224 9.1143 9.1143 9.1863 9.1863 9.9268 9.9268 10.6830 10.6830 11.4518 11.4518 k = 0.2097 0.3632 0.2754 ( 7246 PWs) bands (ev): -55.7687 -55.7687 -37.0107 -37.0107 -30.1769 -30.1769 -29.4070 -29.4070 -29.2560 -29.2560 -4.1197 -4.1197 -3.9289 -3.9289 3.7051 3.7051 3.8567 3.8567 5.1289 5.1289 5.5817 5.5817 5.7189 5.7189 6.0542 6.0542 9.1052 9.1052 9.1863 9.1863 9.9363 9.9363 10.6792 10.6792 11.4083 11.4083 k = 0.2043 0.3539 0.2754 ( 7242 PWs) bands (ev): -55.7689 -55.7689 -37.0108 -37.0108 -30.1761 -30.1761 -29.4058 -29.4058 -29.2560 -29.2560 -4.1627 -4.1627 -3.9509 -3.9509 3.7243 3.7243 3.9198 3.9198 5.1204 5.1204 5.6075 5.6075 5.7759 5.7759 6.0858 6.0858 9.0958 9.0958 9.1875 9.1875 9.9473 9.9473 10.6768 10.6768 11.3633 11.3633 k = 0.1989 0.3445 0.2754 ( 7230 PWs) bands (ev): -55.7691 -55.7691 -37.0109 -37.0109 -30.1753 -30.1753 -29.4045 -29.4045 -29.2560 -29.2560 -4.2066 -4.2066 -3.9734 -3.9734 3.7458 3.7458 3.9854 3.9854 5.1054 5.1054 5.6381 5.6381 5.8343 5.8343 6.1172 6.1172 9.0862 9.0862 9.1901 9.1901 9.9594 9.9594 10.6759 10.6759 11.3173 11.3173 k = 0.1935 0.3352 0.2754 ( 7230 PWs) bands (ev): -55.7693 -55.7693 -37.0111 -37.0111 -30.1745 -30.1745 -29.4033 -29.4033 -29.2559 -29.2559 -4.2511 -4.2511 -3.9962 -3.9962 3.7695 3.7695 4.0527 4.0527 5.0867 5.0867 5.6714 5.6714 5.8940 5.8940 6.1481 6.1481 9.0766 9.0766 9.1940 9.1940 9.9725 9.9725 10.6765 10.6765 11.2707 11.2707 k = 0.1882 0.3259 0.2754 ( 7234 PWs) bands (ev): -55.7694 -55.7694 -37.0112 -37.0112 -30.1736 -30.1736 -29.4020 -29.4020 -29.2559 -29.2559 -4.2960 -4.2960 -4.0193 -4.0193 3.7954 3.7954 4.1203 4.1203 5.0671 5.0671 5.7057 5.7057 5.9547 5.9547 6.1784 6.1784 9.0670 9.0670 9.1993 9.1993 9.9861 9.9861 10.6790 10.6790 11.2238 11.2238 k = 0.1828 0.3166 0.2754 ( 7228 PWs) bands (ev): -55.7696 -55.7696 -37.0113 -37.0113 -30.1728 -30.1728 -29.4006 -29.4006 -29.2559 -29.2559 -4.3414 -4.3414 -4.0425 -4.0425 3.8234 3.8234 4.1865 4.1865 5.0493 5.0493 5.7400 5.7400 6.0162 6.0162 6.2083 6.2083 9.0577 9.0577 9.2059 9.2059 9.9996 9.9996 10.6837 10.6837 11.1769 11.1769 k = 0.1774 0.3073 0.2754 ( 7228 PWs) bands (ev): -55.7698 -55.7698 -37.0114 -37.0114 -30.1719 -30.1719 -29.3993 -29.3993 -29.2559 -29.2559 -4.3869 -4.3869 -4.0659 -4.0659 3.8534 3.8534 4.2490 4.2490 5.0364 5.0364 5.7735 5.7735 6.0777 6.0777 6.2380 6.2380 9.0487 9.0487 9.2138 9.2138 10.0126 10.0126 10.6908 10.6908 11.1305 11.1305 k = 0.1720 0.2980 0.2754 ( 7220 PWs) bands (ev): -55.7700 -55.7700 -37.0115 -37.0115 -30.1710 -30.1710 -29.3979 -29.3979 -29.2559 -29.2559 -4.4324 -4.4324 -4.0894 -4.0894 3.8856 3.8856 4.3047 4.3047 5.0319 5.0319 5.8057 5.8057 6.1381 6.1381 6.2684 6.2684 9.0403 9.0403 9.2228 9.2228 10.0243 10.0243 10.7007 10.7007 11.0850 11.0850 k = 0.1667 0.2887 0.2754 ( 7220 PWs) bands (ev): -55.7702 -55.7702 -37.0117 -37.0117 -30.1701 -30.1701 -29.3964 -29.3964 -29.2559 -29.2559 -4.4779 -4.4779 -4.1129 -4.1129 3.9197 3.9197 4.3501 4.3501 5.0395 5.0395 5.8365 5.8365 6.1946 6.1946 6.3022 6.3022 9.0323 9.0323 9.2329 9.2329 10.0342 10.0342 10.7138 10.7138 11.0407 11.0407 k = 0.1613 0.2794 0.2754 ( 7222 PWs) bands (ev): -55.7704 -55.7704 -37.0118 -37.0118 -30.1692 -30.1692 -29.3950 -29.3950 -29.2559 -29.2559 -4.5232 -4.5232 -4.1363 -4.1363 3.9556 3.9556 4.3819 4.3819 5.0624 5.0624 5.8658 5.8658 6.2422 6.2422 6.3438 6.3438 9.0251 9.0251 9.2439 9.2439 10.0418 10.0418 10.7303 10.7303 10.9981 10.9981 k = 0.1559 0.2701 0.2754 ( 7212 PWs) bands (ev): -55.7706 -55.7706 -37.0119 -37.0119 -30.1683 -30.1683 -29.3936 -29.3936 -29.2559 -29.2559 -4.5681 -4.5681 -4.1596 -4.1596 3.9935 3.9935 4.3987 4.3987 5.1021 5.1021 5.8938 5.8938 6.2774 6.2774 6.3967 6.3967 9.0185 9.0185 9.2555 9.2555 10.0467 10.0467 10.7503 10.7503 10.9576 10.9576 k = 0.1505 0.2607 0.2754 ( 7224 PWs) bands (ev): -55.7708 -55.7708 -37.0121 -37.0121 -30.1674 -30.1674 -29.3921 -29.3921 -29.2559 -29.2559 -4.6125 -4.6125 -4.1827 -4.1827 4.0330 4.0330 4.4012 4.4012 5.1575 5.1575 5.9206 5.9206 6.3024 6.3024 6.4583 6.4583 9.0126 9.0126 9.2673 9.2673 10.0485 10.0485 10.7738 10.7738 10.9198 10.9198 k = 0.1452 0.2514 0.2754 ( 7232 PWs) bands (ev): -55.7710 -55.7710 -37.0122 -37.0122 -30.1665 -30.1665 -29.3907 -29.3907 -29.2559 -29.2559 -4.6563 -4.6563 -4.2056 -4.2056 4.0743 4.0743 4.3918 4.3918 5.2258 5.2258 5.9470 5.9470 6.3205 6.3205 6.5250 6.5250 9.0075 9.0075 9.2791 9.2791 10.0471 10.0471 10.8007 10.8007 10.8852 10.8852 k = 0.1398 0.2421 0.2754 ( 7234 PWs) bands (ev): -55.7711 -55.7711 -37.0123 -37.0123 -30.1655 -30.1655 -29.3892 -29.3892 -29.2558 -29.2558 -4.6994 -4.6994 -4.2281 -4.2281 4.1172 4.1172 4.3735 4.3735 5.3032 5.3032 5.9737 5.9737 6.3339 6.3339 6.5946 6.5946 9.0029 9.0029 9.2904 9.2904 10.0426 10.0426 10.8305 10.8305 10.8547 10.8547 k = 0.1344 0.2328 0.2754 ( 7222 PWs) bands (ev): -55.7713 -55.7713 -37.0124 -37.0124 -30.1646 -30.1646 -29.3878 -29.3878 -29.2558 -29.2558 -4.7417 -4.7417 -4.2503 -4.2503 4.1615 4.1615 4.3491 4.3491 5.3857 5.3857 6.0020 6.0020 6.3433 6.3433 6.6659 6.6659 8.9991 8.9991 9.3006 9.3006 10.0349 10.0349 10.8276 10.8276 10.8640 10.8640 k = 0.1290 0.2235 0.2754 ( 7234 PWs) bands (ev): -55.7715 -55.7715 -37.0126 -37.0126 -30.1637 -30.1637 -29.3864 -29.3864 -29.2558 -29.2558 -4.7831 -4.7831 -4.2721 -4.2721 4.2071 4.2071 4.3206 4.3206 5.4696 5.4696 6.0338 6.0338 6.3492 6.3492 6.7384 6.7384 8.9957 8.9957 9.3092 9.3092 10.0242 10.0242 10.8063 10.8063 10.8989 10.8989 k = 0.1237 0.2142 0.2754 ( 7234 PWs) bands (ev): -55.7717 -55.7717 -37.0127 -37.0127 -30.1628 -30.1628 -29.3850 -29.3850 -29.2558 -29.2558 -4.8235 -4.8235 -4.2934 -4.2934 4.2531 4.2531 4.2904 4.2904 5.5507 5.5507 6.0717 6.0717 6.3517 6.3517 6.8118 6.8118 8.9928 8.9928 9.3155 9.3155 10.0108 10.0108 10.7906 10.7906 10.9359 10.9359 k = 0.1183 0.2049 0.2754 ( 7234 PWs) bands (ev): -55.7719 -55.7719 -37.0128 -37.0128 -30.1620 -30.1620 -29.3836 -29.3836 -29.2558 -29.2558 -4.8627 -4.8627 -4.3142 -4.3142 4.2542 4.2542 4.3048 4.3048 5.6248 5.6248 6.1189 6.1189 6.3510 6.3510 6.8858 6.8858 8.9903 8.9903 9.3191 9.3191 9.9947 9.9947 10.7810 10.7810 10.9741 10.9741 k = 0.1129 0.1956 0.2754 ( 7234 PWs) bands (ev): -55.7721 -55.7721 -37.0129 -37.0129 -30.1611 -30.1611 -29.3822 -29.3822 -29.2558 -29.2558 -4.9008 -4.9008 -4.3344 -4.3344 4.2212 4.2212 4.3536 4.3536 5.6879 5.6879 6.1784 6.1784 6.3475 6.3475 6.9601 6.9601 8.9881 8.9881 9.3193 9.3193 9.9762 9.9762 10.7781 10.7781 11.0133 11.0133 k = 0.1075 0.1862 0.2754 ( 7244 PWs) bands (ev): -55.7723 -55.7723 -37.0131 -37.0131 -30.1603 -30.1603 -29.3809 -29.3809 -29.2558 -29.2558 -4.9376 -4.9376 -4.3540 -4.3540 4.1874 4.1874 4.4041 4.4041 5.7380 5.7380 6.2507 6.2507 6.3422 6.3422 7.0346 7.0346 8.9860 8.9860 9.3158 9.3158 9.9553 9.9553 10.7822 10.7822 11.0528 11.0528 k = 0.1022 0.1769 0.2754 ( 7232 PWs) bands (ev): -55.7724 -55.7724 -37.0132 -37.0132 -30.1595 -30.1595 -29.3796 -29.3796 -29.2557 -29.2557 -4.9731 -4.9731 -4.3729 -4.3729 4.1536 4.1536 4.4557 4.4557 5.7754 5.7754 6.3145 6.3145 6.3557 6.3557 7.1092 7.1092 8.9841 8.9841 9.3082 9.3082 9.9323 9.9323 10.7935 10.7935 11.0924 11.0924 k = 0.0968 0.1676 0.2754 ( 7230 PWs) bands (ev): -55.7726 -55.7726 -37.0133 -37.0133 -30.1587 -30.1587 -29.3783 -29.3783 -29.2557 -29.2557 -5.0071 -5.0071 -4.3911 -4.3911 4.1204 4.1204 4.5082 4.5082 5.8021 5.8021 6.3114 6.3114 6.4441 6.4441 7.1835 7.1835 8.9820 8.9820 9.2965 9.2965 9.9073 9.9073 10.8119 10.8119 11.1315 11.1315 k = 0.0914 0.1583 0.2754 ( 7222 PWs) bands (ev): -55.7728 -55.7728 -37.0134 -37.0134 -30.1579 -30.1579 -29.3771 -29.3771 -29.2557 -29.2557 -5.0397 -5.0397 -4.4086 -4.4086 4.0881 4.0881 4.5614 4.5614 5.8208 5.8208 6.2965 6.2965 6.5496 6.5496 7.2576 7.2576 8.9798 8.9798 9.2805 9.2805 9.8803 9.8803 10.8372 10.8372 11.1698 11.1698 k = 0.0860 0.1490 0.2754 ( 7230 PWs) bands (ev): -55.7729 -55.7729 -37.0135 -37.0135 -30.1572 -30.1572 -29.3759 -29.3759 -29.2557 -29.2557 -5.0707 -5.0707 -4.4253 -4.4253 4.0568 4.0568 4.6153 4.6153 5.8335 5.8335 6.2780 6.2780 6.6617 6.6617 7.3311 7.3311 8.9774 8.9774 9.2605 9.2605 9.8515 9.8515 10.8690 10.8690 11.2070 11.2070 k = 0.0806 0.1397 0.2754 ( 7242 PWs) bands (ev): -55.7731 -55.7731 -37.0136 -37.0136 -30.1565 -30.1565 -29.3748 -29.3748 -29.2557 -29.2557 -5.1001 -5.1001 -4.4411 -4.4411 4.0267 4.0267 4.6696 4.6696 5.8419 5.8419 6.2565 6.2565 6.7778 6.7778 7.4040 7.4040 8.9744 8.9744 9.2367 9.2367 9.8209 9.8209 10.9066 10.9066 11.2428 11.2428 k = 0.0753 0.1304 0.2754 ( 7246 PWs) bands (ev): -55.7732 -55.7732 -37.0137 -37.0137 -30.1558 -30.1558 -29.3737 -29.3737 -29.2556 -29.2556 -5.1279 -5.1279 -4.4561 -4.4561 3.9980 3.9980 4.7243 4.7243 5.8472 5.8472 6.2324 6.2324 6.8962 6.8962 7.4760 7.4760 8.9709 8.9709 9.2094 9.2094 9.7886 9.7886 10.9494 10.9494 11.2769 11.2769 k = 0.0699 0.1211 0.2754 ( 7248 PWs) bands (ev): -55.7734 -55.7734 -37.0138 -37.0138 -30.1552 -30.1552 -29.3727 -29.3727 -29.2556 -29.2556 -5.1539 -5.1539 -4.4702 -4.4702 3.9709 3.9709 4.7791 4.7791 5.8502 5.8502 6.2060 6.2060 7.0158 7.0158 7.5471 7.5471 8.9666 8.9666 9.1792 9.1792 9.7549 9.7549 10.9964 10.9964 11.3091 11.3091 k = 0.0645 0.1117 0.2754 ( 7248 PWs) bands (ev): -55.7735 -55.7735 -37.0139 -37.0139 -30.1546 -30.1546 -29.3717 -29.3717 -29.2556 -29.2556 -5.1782 -5.1782 -4.4833 -4.4833 3.9454 3.9454 4.8339 4.8339 5.8517 5.8517 6.1773 6.1773 7.1356 7.1356 7.6169 7.6169 8.9613 8.9613 9.1464 9.1464 9.7197 9.7197 11.0468 11.0468 11.3393 11.3393 k = 0.0591 0.1024 0.2754 ( 7240 PWs) bands (ev): -55.7736 -55.7736 -37.0140 -37.0140 -30.1541 -30.1541 -29.3708 -29.3708 -29.2556 -29.2556 -5.2007 -5.2007 -4.4955 -4.4955 3.9217 3.9217 4.8885 4.8885 5.8519 5.8519 6.1468 6.1468 7.2547 7.2547 7.6853 7.6853 8.9547 8.9547 9.1114 9.1114 9.6835 9.6835 11.0996 11.0996 11.3674 11.3674 k = 0.0538 0.0931 0.2754 ( 7248 PWs) bands (ev): -55.7737 -55.7737 -37.0140 -37.0140 -30.1536 -30.1536 -29.3700 -29.3700 -29.2555 -29.2555 -5.2214 -5.2214 -4.5067 -4.5067 3.8998 3.8998 4.9426 4.9426 5.8512 5.8512 6.1145 6.1145 7.3723 7.3723 7.7520 7.7520 8.9465 8.9465 9.0748 9.0748 9.6465 9.6465 11.1536 11.1536 11.3931 11.3931 k = 0.0484 0.0838 0.2754 ( 7252 PWs) bands (ev): -55.7738 -55.7738 -37.0141 -37.0141 -30.1531 -30.1531 -29.3693 -29.3693 -29.2555 -29.2555 -5.2401 -5.2401 -4.5170 -4.5170 3.8798 3.8798 4.9959 4.9959 5.8500 5.8500 6.0809 6.0809 7.4875 7.4875 7.8168 7.8168 8.9364 8.9364 9.0369 9.0369 9.6092 9.6092 11.2080 11.2080 11.4164 11.4164 k = 0.0430 0.0745 0.2754 ( 7252 PWs) bands (ev): -55.7739 -55.7739 -37.0142 -37.0142 -30.1527 -30.1527 -29.3686 -29.3686 -29.2555 -29.2555 -5.2570 -5.2570 -4.5262 -4.5262 3.8617 3.8617 5.0481 5.0481 5.8484 5.8484 6.0464 6.0464 7.5993 7.5993 7.8794 7.8794 8.9239 8.9239 8.9985 8.9985 9.5723 9.5723 11.2613 11.2613 11.4373 11.4373 k = 0.0376 0.0652 0.2754 ( 7244 PWs) bands (ev): -55.7740 -55.7740 -37.0142 -37.0142 -30.1523 -30.1523 -29.3680 -29.3680 -29.2555 -29.2555 -5.2720 -5.2720 -4.5343 -4.5343 3.8456 3.8456 5.0986 5.0986 5.8466 5.8466 6.0115 6.0115 7.7067 7.7067 7.9394 7.9394 8.9087 8.9087 8.9599 8.9599 9.5364 9.5364 11.3125 11.3125 11.4558 11.4558 k = 0.0323 0.0559 0.2754 ( 7260 PWs) bands (ev): -55.7741 -55.7741 -37.0143 -37.0143 -30.1520 -30.1520 -29.3674 -29.3674 -29.2555 -29.2555 -5.2851 -5.2851 -4.5414 -4.5414 3.8316 3.8316 5.1469 5.1469 5.8447 5.8447 5.9767 5.9767 7.8083 7.8083 7.9963 7.9963 8.8903 8.8903 8.9221 8.9221 9.5025 9.5025 11.3602 11.3602 11.4719 11.4719 k = 0.0269 0.0466 0.2754 ( 7256 PWs) bands (ev): -55.7741 -55.7741 -37.0143 -37.0143 -30.1517 -30.1517 -29.3670 -29.3670 -29.2554 -29.2554 -5.2961 -5.2961 -4.5475 -4.5475 3.8197 3.8197 5.1921 5.1921 5.8428 5.8428 5.9431 5.9431 7.9023 7.9023 8.0496 8.0496 8.8688 8.8688 8.8860 8.8860 9.4716 9.4716 11.4031 11.4031 11.4857 11.4857 k = 0.0215 0.0372 0.2754 ( 7256 PWs) bands (ev): -55.7742 -55.7742 -37.0143 -37.0143 -30.1515 -30.1515 -29.3666 -29.3666 -29.2554 -29.2554 -5.3052 -5.3052 -4.5524 -4.5524 3.8099 3.8099 5.2331 5.2331 5.8407 5.8407 5.9119 5.9119 7.9861 7.9861 8.0988 8.0988 8.8443 8.8443 8.8531 8.8531 9.4448 9.4448 11.4399 11.4399 11.4974 11.4974 k = 0.0161 0.0279 0.2754 ( 7252 PWs) bands (ev): -55.7742 -55.7742 -37.0144 -37.0144 -30.1513 -30.1513 -29.3663 -29.3663 -29.2554 -29.2554 -5.3123 -5.3123 -4.5563 -4.5563 3.8023 3.8023 5.2684 5.2684 5.8384 5.8384 5.8850 5.8850 8.0557 8.0557 8.1434 8.1434 8.8188 8.8188 8.8246 8.8246 9.4230 9.4230 11.4689 11.4689 11.5074 11.5074 k = 0.0108 0.0186 0.2754 ( 7268 PWs) bands (ev): -55.7742 -55.7742 -37.0144 -37.0144 -30.1512 -30.1512 -29.3661 -29.3661 -29.2554 -29.2554 -5.3173 -5.3173 -4.5591 -4.5591 3.7968 3.7968 5.2960 5.2960 5.8350 5.8350 5.8650 5.8650 8.1069 8.1069 8.1819 8.1819 8.7967 8.7967 8.8006 8.8006 9.4069 9.4069 11.4887 11.4887 11.5163 11.5163 k = 0.0054 0.0093 0.2754 ( 7274 PWs) bands (ev): -55.7743 -55.7743 -37.0144 -37.0144 -30.1511 -30.1511 -29.3660 -29.3660 -29.2554 -29.2554 -5.3203 -5.3203 -4.5607 -4.5607 3.7935 3.7935 5.3137 5.3137 5.8304 5.8304 5.8543 5.8543 8.1372 8.1372 8.2098 8.2098 8.7819 8.7819 8.7835 8.7835 9.3970 9.3970 11.4991 11.4991 11.5235 11.5235 k = 0.0000 0.0000 0.2754 ( 7274 PWs) bands (ev): -55.7743 -55.7743 -37.0144 -37.0144 -30.1511 -30.1511 -29.3660 -29.3660 -29.2554 -29.2554 -5.3214 -5.3214 -4.5613 -4.5613 3.7924 3.7924 5.3199 5.3199 5.8279 5.8279 5.8515 5.8515 8.1472 8.1472 8.2203 8.2203 8.7767 8.7767 8.7773 8.7773 9.3937 9.3937 11.5021 11.5021 11.5263 11.5263 k = 0.5000 0.2887 0.2754 ( 7248 PWs) bands (ev): -55.7677 -55.7677 -37.0101 -37.0101 -30.1822 -30.1822 -29.4148 -29.4148 -29.2552 -29.2552 -3.9089 -3.9089 -3.6719 -3.6719 2.6558 2.6558 3.5592 3.5592 4.9505 4.9505 5.5941 5.5941 6.3140 6.3140 6.8929 6.8929 7.9527 7.9527 9.6524 9.6524 10.0464 10.0464 11.0954 11.0954 11.9031 11.9031 k = 0.5000 0.2887 0.2648 ( 7244 PWs) bands (ev): -55.7677 -55.7677 -37.0101 -37.0101 -30.1822 -30.1822 -29.4148 -29.4148 -29.2552 -29.2552 -3.9087 -3.9087 -3.6722 -3.6722 2.6565 2.6565 3.5601 3.5601 4.9501 4.9501 5.5946 5.5946 6.3098 6.3098 6.8919 6.8919 7.9549 7.9549 9.6524 9.6524 10.0465 10.0465 11.0971 11.0971 11.9024 11.9024 k = 0.5000 0.2887 0.2542 ( 7246 PWs) bands (ev): -55.7677 -55.7677 -37.0101 -37.0101 -30.1822 -30.1822 -29.4148 -29.4148 -29.2552 -29.2552 -3.9081 -3.9081 -3.6729 -3.6729 2.6587 2.6587 3.5628 3.5628 4.9490 4.9490 5.5961 5.5961 6.2972 6.2972 6.8887 6.8887 7.9613 7.9613 9.6525 9.6525 10.0470 10.0470 11.1021 11.1021 11.9000 11.9000 k = 0.5000 0.2887 0.2436 ( 7242 PWs) bands (ev): -55.7677 -55.7677 -37.0101 -37.0101 -30.1822 -30.1822 -29.4148 -29.4148 -29.2552 -29.2552 -3.9073 -3.9073 -3.6741 -3.6741 2.6623 2.6623 3.5673 3.5673 4.9471 4.9471 5.5987 5.5987 6.2767 6.2767 6.8834 6.8834 7.9716 7.9716 9.6526 9.6526 10.0478 10.0478 11.1103 11.1103 11.8959 11.8959 k = 0.5000 0.2887 0.2330 ( 7246 PWs) bands (ev): -55.7677 -55.7677 -37.0101 -37.0101 -30.1822 -30.1822 -29.4148 -29.4148 -29.2552 -29.2552 -3.9060 -3.9060 -3.6758 -3.6758 2.6674 2.6674 3.5736 3.5736 4.9446 4.9446 5.6022 5.6022 6.2487 6.2487 6.8760 6.8760 7.9854 7.9854 9.6528 9.6528 10.0489 10.0489 11.1217 11.1217 11.8894 11.8894 k = 0.5000 0.2887 0.2224 ( 7250 PWs) bands (ev): -55.7677 -55.7677 -37.0101 -37.0101 -30.1822 -30.1822 -29.4148 -29.4148 -29.2552 -29.2552 -3.9044 -3.9044 -3.6779 -3.6779 2.6737 2.6737 3.5816 3.5816 4.9414 4.9414 5.6066 5.6066 6.2139 6.2139 6.8668 6.8668 8.0021 8.0021 9.6530 9.6530 10.0503 10.0503 11.1361 11.1361 11.8802 11.8802 k = 0.5000 0.2887 0.2118 ( 7236 PWs) bands (ev): -55.7677 -55.7677 -37.0100 -37.0100 -30.1822 -30.1822 -29.4148 -29.4148 -29.2552 -29.2552 -3.9025 -3.9025 -3.6805 -3.6805 2.6814 2.6814 3.5913 3.5913 4.9377 4.9377 5.6120 5.6120 6.1731 6.1731 6.8558 6.8558 8.0210 8.0210 9.6532 9.6532 10.0519 10.0519 11.1533 11.1533 11.8679 11.8679 k = 0.5000 0.2887 0.2012 ( 7232 PWs) bands (ev): -55.7677 -55.7677 -37.0100 -37.0100 -30.1822 -30.1822 -29.4148 -29.4148 -29.2552 -29.2552 -3.9002 -3.9002 -3.6835 -3.6835 2.6902 2.6902 3.6026 3.6026 4.9336 4.9336 5.6183 5.6183 6.1271 6.1271 6.8431 6.8431 8.0416 8.0416 9.6535 9.6535 10.0538 10.0538 11.1732 11.1732 11.8522 11.8522 k = 0.5000 0.2887 0.1906 ( 7234 PWs) bands (ev): -55.7677 -55.7677 -37.0100 -37.0100 -30.1822 -30.1822 -29.4148 -29.4148 -29.2552 -29.2552 -3.8976 -3.8976 -3.6869 -3.6869 2.7000 2.7000 3.6154 3.6154 4.9291 4.9291 5.6253 5.6253 6.0767 6.0767 6.8289 6.8289 8.0632 8.0632 9.6538 9.6538 10.0558 10.0558 11.1955 11.1955 11.8329 11.8329 k = 0.5000 0.2887 0.1800 ( 7230 PWs) bands (ev): -55.7677 -55.7677 -37.0100 -37.0100 -30.1822 -30.1822 -29.4148 -29.4148 -29.2552 -29.2552 -3.8947 -3.8947 -3.6908 -3.6908 2.7109 2.7109 3.6297 3.6297 4.9244 4.9244 5.6332 5.6332 6.0226 6.0226 6.8134 6.8134 8.0852 8.0852 9.6541 9.6541 10.0579 10.0579 11.2199 11.2199 11.8103 11.8103 k = 0.5000 0.2887 0.1694 ( 7238 PWs) bands (ev): -55.7677 -55.7677 -37.0100 -37.0100 -30.1822 -30.1822 -29.4148 -29.4148 -29.2552 -29.2552 -3.8914 -3.8914 -3.6949 -3.6949 2.7225 2.7225 3.6453 3.6453 4.9197 4.9197 5.6418 5.6418 5.9656 5.9656 6.7968 6.7968 8.1072 8.1072 9.6544 9.6544 10.0602 10.0602 11.2461 11.2461 11.7848 11.7848 k = 0.5000 0.2887 0.1589 ( 7244 PWs) bands (ev): -55.7677 -55.7677 -37.0100 -37.0100 -30.1822 -30.1822 -29.4148 -29.4148 -29.2552 -29.2552 -3.8879 -3.8879 -3.6995 -3.6995 2.7348 2.7348 3.6620 3.6620 4.9151 4.9151 5.6510 5.6510 5.9064 5.9064 6.7793 6.7793 8.1288 8.1288 9.6547 9.6547 10.0625 10.0625 11.2739 11.2739 11.7571 11.7571 k = 0.5000 0.2887 0.1483 ( 7248 PWs) bands (ev): -55.7677 -55.7677 -37.0100 -37.0100 -30.1822 -30.1822 -29.4148 -29.4148 -29.2552 -29.2552 -3.8840 -3.8840 -3.7044 -3.7044 2.7476 2.7476 3.6798 3.6798 4.9108 4.9108 5.6607 5.6607 5.8456 5.8456 6.7610 6.7610 8.1497 8.1497 9.6550 9.6550 10.0648 10.0648 11.3027 11.3027 11.7278 11.7278 k = 0.5000 0.2887 0.1377 ( 7252 PWs) bands (ev): -55.7677 -55.7677 -37.0100 -37.0100 -30.1822 -30.1822 -29.4148 -29.4148 -29.2552 -29.2552 -3.8799 -3.8799 -3.7095 -3.7095 2.7608 2.7608 3.6984 3.6984 4.9071 4.9071 5.6708 5.6708 5.7839 5.7839 6.7423 6.7423 8.1695 8.1695 9.6553 9.6553 10.0671 10.0671 11.3323 11.3323 11.6978 11.6978 k = 0.5000 0.2887 0.1271 ( 7254 PWs) bands (ev): -55.7677 -55.7677 -37.0100 -37.0100 -30.1822 -30.1822 -29.4148 -29.4148 -29.2552 -29.2552 -3.8755 -3.8755 -3.7150 -3.7150 2.7741 2.7741 3.7176 3.7176 4.9043 4.9043 5.6810 5.6810 5.7220 5.7220 6.7234 6.7234 8.1881 8.1881 9.6556 9.6556 10.0693 10.0693 11.3623 11.3623 11.6676 11.6676 k = 0.5000 0.2887 0.1165 ( 7236 PWs) bands (ev): -55.7677 -55.7677 -37.0100 -37.0100 -30.1822 -30.1822 -29.4148 -29.4148 -29.2552 -29.2552 -3.8709 -3.8709 -3.7206 -3.7206 2.7874 2.7874 3.7371 3.7371 4.9024 4.9024 5.6589 5.6589 5.6928 5.6928 6.7045 6.7045 8.2054 8.2054 9.6559 9.6559 10.0715 10.0715 11.3922 11.3922 11.6380 11.6380 k = 0.5000 0.2887 0.1059 ( 7236 PWs) bands (ev): -55.7677 -55.7677 -37.0100 -37.0100 -30.1822 -30.1822 -29.4148 -29.4148 -29.2552 -29.2552 -3.8660 -3.8660 -3.7264 -3.7264 2.8004 2.8004 3.7568 3.7568 4.9020 4.9020 5.5978 5.5978 5.7031 5.7031 6.6858 6.6858 8.2212 8.2212 9.6562 9.6562 10.0735 10.0735 11.4215 11.4215 11.6096 11.6096 k = 0.5000 0.2887 0.0953 ( 7236 PWs) bands (ev): -55.7677 -55.7677 -37.0100 -37.0100 -30.1822 -30.1822 -29.4148 -29.4148 -29.2552 -29.2552 -3.8610 -3.8610 -3.7324 -3.7324 2.8129 2.8129 3.7762 3.7762 4.9031 4.9031 5.5376 5.5376 5.7136 5.7136 6.6678 6.6678 8.2355 8.2355 9.6564 9.6564 10.0754 10.0754 11.4499 11.4499 11.5828 11.5828 k = 0.5000 0.2887 0.0847 ( 7234 PWs) bands (ev): -55.7677 -55.7677 -37.0100 -37.0100 -30.1822 -30.1822 -29.4148 -29.4148 -29.2552 -29.2552 -3.8558 -3.8558 -3.7385 -3.7385 2.8249 2.8249 3.7950 3.7950 4.9062 4.9062 5.4789 5.4789 5.7238 5.7238 6.6505 6.6505 8.2483 8.2483 9.6566 9.6566 10.0771 10.0771 11.4768 11.4768 11.5580 11.5580 k = 0.5000 0.2887 0.0741 ( 7240 PWs) bands (ev): -55.7677 -55.7677 -37.0100 -37.0100 -30.1822 -30.1822 -29.4148 -29.4148 -29.2552 -29.2552 -3.8505 -3.8505 -3.7446 -3.7446 2.8359 2.8359 3.8128 3.8128 4.9114 4.9114 5.4223 5.4223 5.7335 5.7335 6.6344 6.6344 8.2595 8.2595 9.6568 9.6568 10.0787 10.0787 11.5017 11.5017 11.5357 11.5357 k = 0.5000 0.2887 0.0635 ( 7244 PWs) bands (ev): -55.7677 -55.7677 -37.0100 -37.0100 -30.1822 -30.1822 -29.4148 -29.4148 -29.2552 -29.2552 -3.8451 -3.8451 -3.7507 -3.7507 2.8460 2.8460 3.8294 3.8294 4.9189 4.9189 5.3685 5.3685 5.7425 5.7425 6.6197 6.6197 8.2692 8.2692 9.6570 9.6570 10.0801 10.0801 11.5141 11.5141 11.5261 11.5261 k = 0.5000 0.2887 0.0530 ( 7252 PWs) bands (ev): -55.7677 -55.7677 -37.0100 -37.0100 -30.1822 -30.1822 -29.4148 -29.4148 -29.2552 -29.2552 -3.8399 -3.8399 -3.7566 -3.7566 2.8548 2.8548 3.8442 3.8442 4.9288 4.9288 5.3181 5.3181 5.7505 5.7505 6.6067 6.6067 8.2773 8.2773 9.6572 9.6572 10.0813 10.0813 11.4979 11.4979 11.5453 11.5453 k = 0.5000 0.2887 0.0424 ( 7240 PWs) bands (ev): -55.7677 -55.7677 -37.0100 -37.0100 -30.1822 -30.1822 -29.4148 -29.4148 -29.2552 -29.2552 -3.8348 -3.8348 -3.7622 -3.7622 2.8623 2.8623 3.8570 3.8570 4.9408 4.9408 5.2718 5.2718 5.7575 5.7575 6.5956 6.5956 8.2839 8.2839 9.6573 9.6573 10.0823 10.0823 11.4838 11.4838 11.5622 11.5622 k = 0.5000 0.2887 0.0318 ( 7238 PWs) bands (ev): -55.7677 -55.7677 -37.0100 -37.0100 -30.1822 -30.1822 -29.4148 -29.4148 -29.2552 -29.2552 -3.8301 -3.8301 -3.7673 -3.7673 2.8682 2.8682 3.8673 3.8673 4.9543 4.9543 5.2310 5.2310 5.7631 5.7631 6.5867 6.5867 8.2890 8.2890 9.6574 9.6574 10.0830 10.0830 11.4726 11.4726 11.5757 11.5757 k = 0.5000 0.2887 0.0212 ( 7238 PWs) bands (ev): -55.7677 -55.7677 -37.0100 -37.0100 -30.1822 -30.1822 -29.4148 -29.4148 -29.2552 -29.2552 -3.8262 -3.8262 -3.7715 -3.7715 2.8726 2.8726 3.8749 3.8749 4.9679 4.9679 5.1976 5.1976 5.7673 5.7673 6.5801 6.5801 8.2927 8.2927 9.6574 9.6574 10.0836 10.0836 11.4646 11.4646 11.5856 11.5856 k = 0.5000 0.2887 0.0106 ( 7230 PWs) bands (ev): -55.7677 -55.7677 -37.0100 -37.0100 -30.1822 -30.1822 -29.4148 -29.4148 -29.2552 -29.2552 -3.8235 -3.8235 -3.7744 -3.7744 2.8752 2.8752 3.8795 3.8795 4.9788 4.9788 5.1747 5.1747 5.7698 5.7698 6.5762 6.5762 8.2948 8.2948 9.6575 9.6575 10.0839 10.0839 11.4598 11.4598 11.5917 11.5917 k = 0.5000 0.2887-0.0000 ( 7224 PWs) bands (ev): -55.7677 -55.7677 -37.0100 -37.0100 -30.1822 -30.1822 -29.4148 -29.4148 -29.2552 -29.2552 -3.8225 -3.8225 -3.7755 -3.7755 2.8761 2.8761 3.8811 3.8811 4.9831 4.9831 5.1663 5.1663 5.7707 5.7707 6.5748 6.5748 8.2956 8.2956 9.6575 9.6575 10.0841 10.0841 11.4581 11.4581 11.5937 11.5937 k = 0.3333 0.5774-0.0000 ( 7176 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1853 -30.1853 -29.4204 -29.4204 -29.2566 -29.2566 -3.6338 -3.6338 -3.6286 -3.6286 3.7925 3.7925 4.0447 4.0447 4.0693 4.0693 5.0982 5.0982 5.1978 5.1978 5.2008 5.2008 9.4935 9.4935 9.7670 9.7670 9.8072 9.8072 10.6169 10.6169 10.6248 10.6248 k = 0.3333 0.5774 0.0106 ( 7185 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1853 -30.1853 -29.4204 -29.4204 -29.2566 -29.2566 -3.6338 -3.6338 -3.6286 -3.6286 3.7928 3.7928 4.0432 4.0432 4.0677 4.0677 5.0977 5.0977 5.1999 5.1999 5.2028 5.2028 9.4935 9.4935 9.7652 9.7652 9.8052 9.8052 10.6198 10.6198 10.6277 10.6277 k = 0.3333 0.5774 0.0212 ( 7197 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1853 -30.1853 -29.4204 -29.4204 -29.2566 -29.2566 -3.6337 -3.6337 -3.6286 -3.6286 3.7935 3.7935 4.0388 4.0388 4.0630 4.0630 5.0963 5.0963 5.2062 5.2062 5.2089 5.2089 9.4934 9.4934 9.7597 9.7597 9.7995 9.7995 10.6284 10.6284 10.6361 10.6361 k = 0.3333 0.5774 0.0318 ( 7200 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1853 -30.1853 -29.4204 -29.4204 -29.2566 -29.2566 -3.6337 -3.6337 -3.6285 -3.6285 3.7948 3.7948 4.0315 4.0315 4.0555 4.0555 5.0938 5.0938 5.2164 5.2164 5.2190 5.2190 9.4932 9.4932 9.7508 9.7508 9.7902 9.7902 10.6426 10.6426 10.6498 10.6498 k = 0.3333 0.5774 0.0424 ( 7206 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1853 -30.1853 -29.4204 -29.4204 -29.2566 -29.2566 -3.6336 -3.6336 -3.6284 -3.6284 3.7966 3.7966 4.0217 4.0217 4.0452 4.0452 5.0904 5.0904 5.2304 5.2304 5.2326 5.2326 9.4930 9.4930 9.7388 9.7388 9.7778 9.7778 10.6617 10.6617 10.6684 10.6684 k = 0.3333 0.5774 0.0530 ( 7212 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1853 -30.1853 -29.4204 -29.4204 -29.2566 -29.2566 -3.6335 -3.6335 -3.6283 -3.6283 3.7988 3.7988 4.0097 4.0097 4.0326 4.0326 5.0861 5.0861 5.2478 5.2478 5.2495 5.2495 9.4927 9.4927 9.7242 9.7242 9.7628 9.7628 10.6855 10.6855 10.6916 10.6916 k = 0.3333 0.5774 0.0635 ( 7215 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1853 -30.1853 -29.4204 -29.4204 -29.2566 -29.2566 -3.6334 -3.6334 -3.6282 -3.6282 3.8015 3.8015 3.9957 3.9957 4.0180 4.0180 5.0809 5.0809 5.2681 5.2681 5.2693 5.2693 9.4924 9.4924 9.7075 9.7075 9.7456 9.7456 10.7133 10.7133 10.7187 10.7187 k = 0.3333 0.5774 0.0741 ( 7215 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1853 -30.1853 -29.4204 -29.4204 -29.2566 -29.2566 -3.6332 -3.6332 -3.6281 -3.6281 3.8046 3.8046 3.9801 3.9801 4.0018 4.0018 5.0749 5.0749 5.2910 5.2910 5.2915 5.2915 9.4920 9.4920 9.6891 9.6891 9.7267 9.7267 10.7446 10.7446 10.7494 10.7494 k = 0.3333 0.5774 0.0847 ( 7203 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1853 -30.1853 -29.4204 -29.4204 -29.2566 -29.2566 -3.6330 -3.6330 -3.6279 -3.6279 3.8081 3.8081 3.9633 3.9633 3.9844 3.9844 5.0681 5.0681 5.3157 5.3157 5.3159 5.3159 9.4915 9.4915 9.6694 9.6694 9.7067 9.7067 10.7788 10.7788 10.7831 10.7831 k = 0.3333 0.5774 0.0953 ( 7206 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1853 -30.1853 -29.4204 -29.4204 -29.2566 -29.2566 -3.6329 -3.6329 -3.6277 -3.6277 3.8119 3.8119 3.9457 3.9457 3.9662 3.9662 5.0608 5.0608 5.3414 5.3414 5.3423 5.3423 9.4910 9.4910 9.6489 9.6489 9.6858 9.6858 10.8156 10.8156 10.8193 10.8193 k = 0.3333 0.5774 0.1059 ( 7197 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1853 -30.1853 -29.4204 -29.4204 -29.2566 -29.2566 -3.6327 -3.6327 -3.6276 -3.6276 3.8160 3.8160 3.9276 3.9276 3.9475 3.9475 5.0528 5.0528 5.3683 5.3683 5.3698 5.3698 9.4904 9.4904 9.6280 9.6280 9.6646 9.6646 10.8544 10.8544 10.8575 10.8575 k = 0.3333 0.5774 0.1165 ( 7203 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1853 -30.1853 -29.4204 -29.4204 -29.2566 -29.2566 -3.6325 -3.6325 -3.6274 -3.6274 3.8203 3.8203 3.9092 3.9092 3.9286 3.9286 5.0445 5.0445 5.3958 5.3958 5.3980 5.3980 9.4898 9.4898 9.6069 9.6069 9.6434 9.6434 10.8949 10.8949 10.8974 10.8974 k = 0.3333 0.5774 0.1271 ( 7191 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1853 -30.1853 -29.4204 -29.4204 -29.2566 -29.2566 -3.6323 -3.6323 -3.6272 -3.6272 3.8247 3.8247 3.8910 3.8910 3.9098 3.9098 5.0359 5.0359 5.4236 5.4236 5.4265 5.4265 9.4891 9.4891 9.5860 9.5860 9.6224 9.6224 10.9365 10.9365 10.9385 10.9385 k = 0.3333 0.5774 0.1377 ( 7203 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1853 -30.1853 -29.4204 -29.4204 -29.2566 -29.2566 -3.6320 -3.6320 -3.6270 -3.6270 3.8291 3.8291 3.8730 3.8730 3.8916 3.8916 5.0270 5.0270 5.4513 5.4513 5.4548 5.4548 9.4883 9.4883 9.5654 9.5654 9.6020 9.6020 10.9788 10.9788 10.9804 10.9804 k = 0.3333 0.5774 0.1483 ( 7206 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1853 -30.1853 -29.4204 -29.4204 -29.2566 -29.2566 -3.6318 -3.6318 -3.6268 -3.6268 3.8334 3.8334 3.8557 3.8557 3.8742 3.8742 5.0181 5.0181 5.4784 5.4784 5.4826 5.4826 9.4874 9.4874 9.5455 9.5455 9.5823 9.5823 11.0215 11.0215 11.0226 11.0226 k = 0.3333 0.5774 0.1589 ( 7212 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1853 -30.1853 -29.4204 -29.4204 -29.2566 -29.2566 -3.6316 -3.6316 -3.6266 -3.6266 3.8365 3.8365 3.8390 3.8390 3.8586 3.8586 5.0093 5.0093 5.5048 5.5048 5.5095 5.5095 9.4862 9.4862 9.5265 9.5265 9.5638 9.5638 11.0640 11.0640 11.0647 11.0647 k = 0.3333 0.5774 0.1694 ( 7227 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1853 -30.1853 -29.4204 -29.4204 -29.2566 -29.2566 -3.6314 -3.6314 -3.6264 -3.6264 3.8233 3.8233 3.8338 3.8338 3.8499 3.8499 5.0007 5.0007 5.5300 5.5300 5.5352 5.5352 9.4848 9.4848 9.5084 9.5084 9.5466 9.5466 11.1058 11.1058 11.1061 11.1061 k = 0.3333 0.5774 0.1800 ( 7227 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1853 -30.1853 -29.4204 -29.4204 -29.2566 -29.2566 -3.6312 -3.6312 -3.6262 -3.6262 3.8087 3.8087 3.8222 3.8222 3.8510 3.8510 4.9925 4.9925 5.5537 5.5537 5.5594 5.5594 9.4828 9.4828 9.4916 9.4916 9.5312 9.5312 11.1464 11.1464 11.1465 11.1465 k = 0.3333 0.5774 0.1906 ( 7227 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1853 -30.1853 -29.4204 -29.4204 -29.2566 -29.2566 -3.6311 -3.6311 -3.6260 -3.6260 3.7953 3.7953 3.8092 3.8092 3.8545 3.8545 4.9847 4.9847 5.5757 5.5757 5.5819 5.5819 9.4761 9.4761 9.4799 9.4799 9.5182 9.5182 11.1850 11.1850 11.1854 11.1854 k = 0.3333 0.5774 0.2012 ( 7227 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1853 -30.1853 -29.4204 -29.4204 -29.2566 -29.2566 -3.6309 -3.6309 -3.6259 -3.6259 3.7832 3.7832 3.7972 3.7972 3.8581 3.8581 4.9774 4.9774 5.5958 5.5958 5.6023 5.6023 9.4621 9.4621 9.4755 9.4755 9.5082 9.5082 11.2212 11.2212 11.2220 11.2220 k = 0.3333 0.5774 0.2118 ( 7233 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1853 -30.1853 -29.4204 -29.4204 -29.2566 -29.2566 -3.6307 -3.6307 -3.6257 -3.6257 3.7725 3.7725 3.7864 3.7864 3.8616 3.8616 4.9709 4.9709 5.6136 5.6136 5.6205 5.6205 9.4497 9.4497 9.4694 9.4694 9.5015 9.5015 11.2544 11.2544 11.2556 11.2556 k = 0.3333 0.5774 0.2224 ( 7233 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1853 -30.1853 -29.4204 -29.4204 -29.2566 -29.2566 -3.6306 -3.6306 -3.6256 -3.6256 3.7634 3.7634 3.7772 3.7772 3.8646 3.8646 4.9652 4.9652 5.6291 5.6291 5.6362 5.6362 9.4391 9.4391 9.4624 9.4624 9.4975 9.4975 11.2841 11.2841 11.2855 11.2855 k = 0.3333 0.5774 0.2330 ( 7254 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1853 -30.1853 -29.4204 -29.4204 -29.2566 -29.2566 -3.6305 -3.6305 -3.6255 -3.6255 3.7558 3.7558 3.7695 3.7695 3.8673 3.8673 4.9604 4.9604 5.6420 5.6420 5.6494 5.6494 9.4302 9.4302 9.4556 9.4556 9.4951 9.4951 11.3094 11.3094 11.3111 11.3111 k = 0.3333 0.5774 0.2436 ( 7254 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1853 -30.1853 -29.4204 -29.4204 -29.2566 -29.2566 -3.6304 -3.6304 -3.6254 -3.6254 3.7499 3.7499 3.7634 3.7634 3.8694 3.8694 4.9566 4.9566 5.6522 5.6522 5.6597 5.6597 9.4233 9.4233 9.4499 9.4499 9.4937 9.4937 11.3298 11.3298 11.3317 11.3317 k = 0.3333 0.5774 0.2542 ( 7242 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1853 -30.1853 -29.4204 -29.4204 -29.2566 -29.2566 -3.6304 -3.6304 -3.6254 -3.6254 3.7456 3.7456 3.7590 3.7590 3.8710 3.8710 4.9538 4.9538 5.6595 5.6595 5.6672 5.6672 9.4182 9.4182 9.4455 9.4455 9.4929 9.4929 11.3448 11.3448 11.3469 11.3469 k = 0.3333 0.5774 0.2648 ( 7230 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1853 -30.1853 -29.4204 -29.4204 -29.2566 -29.2566 -3.6303 -3.6303 -3.6253 -3.6253 3.7430 3.7430 3.7564 3.7564 3.8719 3.8719 4.9521 4.9521 5.6640 5.6640 5.6717 5.6717 9.4152 9.4152 9.4428 9.4428 9.4925 9.4925 11.3540 11.3540 11.3562 11.3562 k = 0.3333 0.5774 0.2754 ( 7212 PWs) bands (ev): -55.7669 -55.7669 -37.0095 -37.0095 -30.1853 -30.1853 -29.4204 -29.4204 -29.2566 -29.2566 -3.6303 -3.6303 -3.6253 -3.6253 3.7421 3.7421 3.7555 3.7555 3.8722 3.8722 4.9515 4.9515 5.6655 5.6655 5.6732 5.6732 9.4142 9.4142 9.4419 9.4419 9.4923 9.4923 11.3571 11.3571 11.3594 11.3594 Writing output data file LiVS2.save init_run : 0.35s CPU 0.50s WALL ( 1 calls) electrons : 141.50s CPU 143.48s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 141.50s CPU 143.48s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.09s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.10s WALL ( 381 calls) cegterg : 124.44s CPU 125.79s WALL ( 381 calls) Called by sum_band: Called by *egterg: h_psi : 97.86s CPU 99.28s WALL ( 5349 calls) s_psi : 3.68s CPU 3.58s WALL ( 5349 calls) g_psi : 0.28s CPU 0.29s WALL ( 4587 calls) cdiaghg : 22.72s CPU 22.85s WALL ( 4968 calls) cegterg:over : 4.64s CPU 4.74s WALL ( 4587 calls) cegterg:upda : 4.19s CPU 4.21s WALL ( 4587 calls) cegterg:last : 2.49s CPU 2.47s WALL ( 1143 calls) cdiaghg:chol : 1.37s CPU 1.35s WALL ( 4968 calls) cdiaghg:inve : 0.73s CPU 0.67s WALL ( 4968 calls) cdiaghg:para : 1.26s CPU 1.31s WALL ( 9936 calls) Called by h_psi: h_psi:vloc : 89.60s CPU 90.86s WALL ( 5349 calls) h_psi:vnl : 8.08s CPU 8.17s WALL ( 5349 calls) add_vuspsi : 4.17s CPU 4.15s WALL ( 5349 calls) General routines calbec : 3.90s CPU 4.01s WALL ( 5349 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 84.58s CPU 85.65s WALL ( 561536 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.26s CPU 0.30s WALL ( 762 calls) Parallel routines fft_scatter : 26.63s CPU 27.30s WALL ( 561559 calls) PWSCF : 2m40.15s CPU 2m52.86s WALL This run was terminated on: 20:39:44 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=