Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:16:20 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: ./Sr.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 53 32 10 704 330 62 Max 55 33 11 706 337 65 Sum 1945 1177 379 25387 12015 2259 bravais-lattice index = 14 lattice parameter (alat) = 10.3683 a.u. unit-cell volume = 351.5101 (a.u.)^3 number of atoms/cell = 1 number of atomic types = 1 number of electrons = 10.00 number of Kohn-Sham states= 18 kinetic-energy cutoff = 40.0000 Ry charge density cutoff = 263.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.368312 celldm(2)= 1.000000 celldm(3)= 0.364152 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 0.364152 ) 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 2.746104 ) PseudoPot. # 1 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 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 Sr 10.00 87.62000 Sr( 1.00) 24 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 [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -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 = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) ( 1 1 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 = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) ( -1 0 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 = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) ( 0 -1 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 = 11 180 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 = 12 180 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 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(21) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_6h(6/mmm) there are 18 classes and 6 irreducible representations the character table: E -E 2C6 -2C6 2C3 -2C3 C2 3C2' 3C2'' i -i 2S3 -C2 -3C2' -3C2' G_7+ 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 1.73 G_8+ 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 -1.73 G_9+ 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 2.00 -2.00 0.00 G_7- 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 -1.73 G_8- 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 1.73 G_9- 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 -2.00 2.00 0.00 -2S3 2S6 -2S6 s_h 3s_v 3s_d -s_h -3s_v -3s_d G_7+ -1.73 1.00 -1.00 0.00 0.00 0.00 G_8+ 1.73 1.00 -1.00 0.00 0.00 0.00 G_9+ 0.00 -2.00 2.00 0.00 0.00 0.00 G_7- 1.73 -1.00 1.00 0.00 0.00 0.00 G_8- -1.73 -1.00 1.00 0.00 0.00 0.00 G_9- 0.00 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C6 5 6 60 deg rotation - cryst. axis [0,0,1] -2C6 -5 -6 60 deg rotation - cryst. axis [0,0,1] E 2C3 7 8 120 deg rotation - cryst. axis [0,0,1] -2C3 -7 -8 120 deg rotation - cryst. axis [0,0,1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 3C2'-3C2' 4 -4 12 -11 11 -12 180 deg rotation - cart. axis [1,0,0] 3C2''-3C2' 3 -3 9 10 -10 -9 180 deg rotation - cart. axis [0,1,0] i 13 inversion -i -13 inversion E 2S3 17 18 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -17 -18 inv. 60 deg rotation - cryst. axis [0,0,1] E 2S6 19 20 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -19 -20 inv. 120 deg rotation - cryst. axis [0,0,1] E s_h -s_h 14 -14 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 16 -16 24 -23 23 -24 inv. 180 deg rotation - cart. axis [1,0,0] 3s_d-3s_d 15 -15 21 22 -22 -21 inv. 180 deg rotation - cart. axis [0,1,0] Cartesian axes number of k points= 432 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023148 k( 2) = ( 0.0147059 0.0084904 -0.0000000), wk = 0.0023148 k( 3) = ( 0.0294118 0.0169809 -0.0000000), wk = 0.0023148 k( 4) = ( 0.0441177 0.0254713 -0.0000000), wk = 0.0023148 k( 5) = ( 0.0588235 0.0339618 -0.0000000), wk = 0.0023148 k( 6) = ( 0.0735294 0.0424522 -0.0000000), wk = 0.0023148 k( 7) = ( 0.0882353 0.0509427 -0.0000000), wk = 0.0023148 k( 8) = ( 0.1029412 0.0594331 -0.0000000), wk = 0.0023148 k( 9) = ( 0.1176471 0.0679236 -0.0000000), wk = 0.0023148 k( 10) = ( 0.1323529 0.0764140 -0.0000000), wk = 0.0023148 k( 11) = ( 0.1470588 0.0849044 -0.0000000), wk = 0.0023148 k( 12) = ( 0.1617647 0.0933949 -0.0000000), wk = 0.0023148 k( 13) = ( 0.1764706 0.1018853 -0.0000000), wk = 0.0023148 k( 14) = ( 0.1911765 0.1103758 -0.0000000), wk = 0.0023148 k( 15) = ( 0.2058823 0.1188662 -0.0000000), wk = 0.0023148 k( 16) = ( 0.2205882 0.1273567 -0.0000000), wk = 0.0023148 k( 17) = ( 0.2352941 0.1358471 -0.0000000), wk = 0.0023148 k( 18) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0023148 k( 19) = ( 0.2647059 0.1528280 -0.0000000), wk = 0.0023148 k( 20) = ( 0.2794118 0.1613185 -0.0000000), wk = 0.0023148 k( 21) = ( 0.2941177 0.1698089 -0.0000000), wk = 0.0023148 k( 22) = ( 0.3088235 0.1782993 -0.0000000), wk = 0.0023148 k( 23) = ( 0.3235294 0.1867898 -0.0000000), wk = 0.0023148 k( 24) = ( 0.3382353 0.1952802 -0.0000000), wk = 0.0023148 k( 25) = ( 0.3529412 0.2037707 -0.0000000), wk = 0.0023148 k( 26) = ( 0.3676471 0.2122611 -0.0000000), wk = 0.0023148 k( 27) = ( 0.3823529 0.2207516 -0.0000000), wk = 0.0023148 k( 28) = ( 0.3970588 0.2292420 -0.0000000), wk = 0.0023148 k( 29) = ( 0.4117647 0.2377325 -0.0000000), wk = 0.0023148 k( 30) = ( 0.4264706 0.2462229 -0.0000000), wk = 0.0023148 k( 31) = ( 0.4411765 0.2547134 -0.0000000), wk = 0.0023148 k( 32) = ( 0.4558823 0.2632038 -0.0000000), wk = 0.0023148 k( 33) = ( 0.4705882 0.2716942 -0.0000000), wk = 0.0023148 k( 34) = ( 0.4852941 0.2801847 -0.0000000), wk = 0.0023148 k( 35) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0023148 k( 36) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0023148 k( 37) = ( 0.4916667 0.3031089 -0.0000000), wk = 0.0023148 k( 38) = ( 0.4833333 0.3175426 -0.0000000), wk = 0.0023148 k( 39) = ( 0.4750000 0.3319764 -0.0000000), wk = 0.0023148 k( 40) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0023148 k( 41) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0023148 k( 42) = ( 0.4500000 0.3752777 -0.0000000), wk = 0.0023148 k( 43) = ( 0.4416667 0.3897114 -0.0000000), wk = 0.0023148 k( 44) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0023148 k( 45) = ( 0.4250000 0.4185789 -0.0000000), wk = 0.0023148 k( 46) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0023148 k( 47) = ( 0.4083333 0.4474465 -0.0000000), wk = 0.0023148 k( 48) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0023148 k( 49) = ( 0.3916667 0.4763140 -0.0000000), wk = 0.0023148 k( 50) = ( 0.3833333 0.4907477 -0.0000000), wk = 0.0023148 k( 51) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0023148 k( 52) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0023148 k( 53) = ( 0.3583333 0.5340490 -0.0000000), wk = 0.0023148 k( 54) = ( 0.3500000 0.5484828 -0.0000000), wk = 0.0023148 k( 55) = ( 0.3416667 0.5629165 -0.0000000), wk = 0.0023148 k( 56) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0023148 k( 57) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0023148 k( 58) = ( 0.3247863 0.5625464 -0.0000000), wk = 0.0023148 k( 59) = ( 0.3162393 0.5477426 -0.0000000), wk = 0.0023148 k( 60) = ( 0.3076923 0.5329387 -0.0000000), wk = 0.0023148 k( 61) = ( 0.2991453 0.5181349 -0.0000000), wk = 0.0023148 k( 62) = ( 0.2905983 0.5033310 -0.0000000), wk = 0.0023148 k( 63) = ( 0.2820513 0.4885271 -0.0000000), wk = 0.0023148 k( 64) = ( 0.2735043 0.4737233 -0.0000000), wk = 0.0023148 k( 65) = ( 0.2649573 0.4589194 -0.0000000), wk = 0.0023148 k( 66) = ( 0.2564103 0.4441156 -0.0000000), wk = 0.0023148 k( 67) = ( 0.2478633 0.4293117 -0.0000000), wk = 0.0023148 k( 68) = ( 0.2393162 0.4145079 -0.0000000), wk = 0.0023148 k( 69) = ( 0.2307692 0.3997040 -0.0000000), wk = 0.0023148 k( 70) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0023148 k( 71) = ( 0.2136752 0.3700963 -0.0000000), wk = 0.0023148 k( 72) = ( 0.2051282 0.3552925 -0.0000000), wk = 0.0023148 k( 73) = ( 0.1965812 0.3404886 -0.0000000), wk = 0.0023148 k( 74) = ( 0.1880342 0.3256848 -0.0000000), wk = 0.0023148 k( 75) = ( 0.1794872 0.3108809 -0.0000000), wk = 0.0023148 k( 76) = ( 0.1709402 0.2960771 -0.0000000), wk = 0.0023148 k( 77) = ( 0.1623932 0.2812732 -0.0000000), wk = 0.0023148 k( 78) = ( 0.1538461 0.2664693 -0.0000000), wk = 0.0023148 k( 79) = ( 0.1452991 0.2516655 -0.0000000), wk = 0.0023148 k( 80) = ( 0.1367521 0.2368617 -0.0000000), wk = 0.0023148 k( 81) = ( 0.1282051 0.2220578 -0.0000000), wk = 0.0023148 k( 82) = ( 0.1196581 0.2072539 -0.0000000), wk = 0.0023148 k( 83) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0023148 k( 84) = ( 0.1025641 0.1776462 -0.0000000), wk = 0.0023148 k( 85) = ( 0.0940171 0.1628424 -0.0000000), wk = 0.0023148 k( 86) = ( 0.0854701 0.1480385 -0.0000000), wk = 0.0023148 k( 87) = ( 0.0769231 0.1332347 -0.0000000), wk = 0.0023148 k( 88) = ( 0.0683761 0.1184308 -0.0000000), wk = 0.0023148 k( 89) = ( 0.0598291 0.1036270 -0.0000000), wk = 0.0023148 k( 90) = ( 0.0512821 0.0888231 -0.0000000), wk = 0.0023148 k( 91) = ( 0.0427350 0.0740193 -0.0000000), wk = 0.0023148 k( 92) = ( 0.0341880 0.0592154 -0.0000000), wk = 0.0023148 k( 93) = ( 0.0256410 0.0444116 -0.0000000), wk = 0.0023148 k( 94) = ( 0.0170940 0.0296077 -0.0000000), wk = 0.0023148 k( 95) = ( 0.0085470 0.0148039 -0.0000000), wk = 0.0023148 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023148 k( 97) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023148 k( 98) = ( 0.0000000 0.0000000 0.0173804), wk = 0.0023148 k( 99) = ( 0.0000000 0.0000000 0.0347608), wk = 0.0023148 k( 100) = ( 0.0000000 0.0000000 0.0521412), wk = 0.0023148 k( 101) = ( 0.0000000 0.0000000 0.0695216), wk = 0.0023148 k( 102) = ( 0.0000000 0.0000000 0.0869020), wk = 0.0023148 k( 103) = ( 0.0000000 0.0000000 0.1042824), wk = 0.0023148 k( 104) = ( 0.0000000 0.0000000 0.1216629), wk = 0.0023148 k( 105) = ( 0.0000000 0.0000000 0.1390432), wk = 0.0023148 k( 106) = ( 0.0000000 0.0000000 0.1564237), wk = 0.0023148 k( 107) = ( 0.0000000 0.0000000 0.1738041), wk = 0.0023148 k( 108) = ( 0.0000000 0.0000000 0.1911845), wk = 0.0023148 k( 109) = ( 0.0000000 0.0000000 0.2085649), wk = 0.0023148 k( 110) = ( 0.0000000 0.0000000 0.2259453), wk = 0.0023148 k( 111) = ( 0.0000000 0.0000000 0.2433257), wk = 0.0023148 k( 112) = ( 0.0000000 0.0000000 0.2607061), wk = 0.0023148 k( 113) = ( 0.0000000 0.0000000 0.2780865), wk = 0.0023148 k( 114) = ( 0.0000000 0.0000000 0.2954669), wk = 0.0023148 k( 115) = ( 0.0000000 0.0000000 0.3128473), wk = 0.0023148 k( 116) = ( 0.0000000 0.0000000 0.3302277), wk = 0.0023148 k( 117) = ( 0.0000000 0.0000000 0.3476081), wk = 0.0023148 k( 118) = ( 0.0000000 0.0000000 0.3649885), wk = 0.0023148 k( 119) = ( 0.0000000 0.0000000 0.3823690), wk = 0.0023148 k( 120) = ( 0.0000000 0.0000000 0.3997494), wk = 0.0023148 k( 121) = ( 0.0000000 0.0000000 0.4171297), wk = 0.0023148 k( 122) = ( 0.0000000 0.0000000 0.4345102), wk = 0.0023148 k( 123) = ( 0.0000000 0.0000000 0.4518906), wk = 0.0023148 k( 124) = ( 0.0000000 0.0000000 0.4692710), wk = 0.0023148 k( 125) = ( 0.0000000 0.0000000 0.4866514), wk = 0.0023148 k( 126) = ( 0.0000000 0.0000000 0.5040318), wk = 0.0023148 k( 127) = ( 0.0000000 0.0000000 0.5214122), wk = 0.0023148 k( 128) = ( 0.0000000 0.0000000 0.5387926), wk = 0.0023148 k( 129) = ( 0.0000000 0.0000000 0.5561730), wk = 0.0023148 k( 130) = ( 0.0000000 0.0000000 0.5735534), wk = 0.0023148 k( 131) = ( 0.0000000 0.0000000 0.5909338), wk = 0.0023148 k( 132) = ( 0.0000000 0.0000000 0.6083142), wk = 0.0023148 k( 133) = ( 0.0000000 0.0000000 0.6256946), wk = 0.0023148 k( 134) = ( 0.0000000 0.0000000 0.6430751), wk = 0.0023148 k( 135) = ( 0.0000000 0.0000000 0.6604555), wk = 0.0023148 k( 136) = ( 0.0000000 0.0000000 0.6778358), wk = 0.0023148 k( 137) = ( 0.0000000 0.0000000 0.6952163), wk = 0.0023148 k( 138) = ( 0.0000000 0.0000000 0.7125967), wk = 0.0023148 k( 139) = ( 0.0000000 0.0000000 0.7299771), wk = 0.0023148 k( 140) = ( 0.0000000 0.0000000 0.7473575), wk = 0.0023148 k( 141) = ( 0.0000000 0.0000000 0.7647379), wk = 0.0023148 k( 142) = ( 0.0000000 0.0000000 0.7821183), wk = 0.0023148 k( 143) = ( 0.0000000 0.0000000 0.7994987), wk = 0.0023148 k( 144) = ( 0.0000000 0.0000000 0.8168791), wk = 0.0023148 k( 145) = ( 0.0000000 0.0000000 0.8342595), wk = 0.0023148 k( 146) = ( 0.0000000 0.0000000 0.8516399), wk = 0.0023148 k( 147) = ( 0.0000000 0.0000000 0.8690203), wk = 0.0023148 k( 148) = ( 0.0000000 0.0000000 0.8864007), wk = 0.0023148 k( 149) = ( 0.0000000 0.0000000 0.9037811), wk = 0.0023148 k( 150) = ( 0.0000000 0.0000000 0.9211616), wk = 0.0023148 k( 151) = ( 0.0000000 0.0000000 0.9385419), wk = 0.0023148 k( 152) = ( 0.0000000 0.0000000 0.9559224), wk = 0.0023148 k( 153) = ( 0.0000000 0.0000000 0.9733028), wk = 0.0023148 k( 154) = ( 0.0000000 0.0000000 0.9906832), wk = 0.0023148 k( 155) = ( 0.0000000 0.0000000 1.0080636), wk = 0.0023148 k( 156) = ( 0.0000000 0.0000000 1.0254440), wk = 0.0023148 k( 157) = ( 0.0000000 0.0000000 1.0428244), wk = 0.0023148 k( 158) = ( 0.0000000 0.0000000 1.0602048), wk = 0.0023148 k( 159) = ( 0.0000000 0.0000000 1.0775852), wk = 0.0023148 k( 160) = ( 0.0000000 0.0000000 1.0949656), wk = 0.0023148 k( 161) = ( 0.0000000 0.0000000 1.1123460), wk = 0.0023148 k( 162) = ( 0.0000000 0.0000000 1.1297264), wk = 0.0023148 k( 163) = ( 0.0000000 0.0000000 1.1471068), wk = 0.0023148 k( 164) = ( 0.0000000 0.0000000 1.1644872), wk = 0.0023148 k( 165) = ( 0.0000000 0.0000000 1.1818677), wk = 0.0023148 k( 166) = ( 0.0000000 0.0000000 1.1992481), wk = 0.0023148 k( 167) = ( 0.0000000 0.0000000 1.2166284), wk = 0.0023148 k( 168) = ( 0.0000000 0.0000000 1.2340089), wk = 0.0023148 k( 169) = ( 0.0000000 0.0000000 1.2513893), wk = 0.0023148 k( 170) = ( 0.0000000 0.0000000 1.2687697), wk = 0.0023148 k( 171) = ( 0.0000000 0.0000000 1.2861501), wk = 0.0023148 k( 172) = ( 0.0000000 0.0000000 1.3035305), wk = 0.0023148 k( 173) = ( 0.0000000 0.0000000 1.3209109), wk = 0.0023148 k( 174) = ( 0.0000000 0.0000000 1.3382913), wk = 0.0023148 k( 175) = ( 0.0000000 0.0000000 1.3556717), wk = 0.0023148 k( 176) = ( 0.0000000 0.0000000 1.3730521), wk = 0.0023148 k( 177) = ( 0.0000000 0.0000000 1.3730521), wk = 0.0023148 k( 178) = ( 0.0147059 0.0084904 1.3730521), wk = 0.0023148 k( 179) = ( 0.0294118 0.0169809 1.3730521), wk = 0.0023148 k( 180) = ( 0.0441177 0.0254713 1.3730521), wk = 0.0023148 k( 181) = ( 0.0588235 0.0339618 1.3730521), wk = 0.0023148 k( 182) = ( 0.0735294 0.0424522 1.3730521), wk = 0.0023148 k( 183) = ( 0.0882353 0.0509427 1.3730521), wk = 0.0023148 k( 184) = ( 0.1029412 0.0594331 1.3730521), wk = 0.0023148 k( 185) = ( 0.1176471 0.0679236 1.3730521), wk = 0.0023148 k( 186) = ( 0.1323529 0.0764140 1.3730521), wk = 0.0023148 k( 187) = ( 0.1470588 0.0849044 1.3730521), wk = 0.0023148 k( 188) = ( 0.1617647 0.0933949 1.3730521), wk = 0.0023148 k( 189) = ( 0.1764706 0.1018853 1.3730521), wk = 0.0023148 k( 190) = ( 0.1911765 0.1103758 1.3730521), wk = 0.0023148 k( 191) = ( 0.2058823 0.1188662 1.3730521), wk = 0.0023148 k( 192) = ( 0.2205882 0.1273567 1.3730521), wk = 0.0023148 k( 193) = ( 0.2352941 0.1358471 1.3730521), wk = 0.0023148 k( 194) = ( 0.2500000 0.1443376 1.3730521), wk = 0.0023148 k( 195) = ( 0.2647059 0.1528280 1.3730521), wk = 0.0023148 k( 196) = ( 0.2794118 0.1613185 1.3730521), wk = 0.0023148 k( 197) = ( 0.2941177 0.1698089 1.3730521), wk = 0.0023148 k( 198) = ( 0.3088235 0.1782993 1.3730521), wk = 0.0023148 k( 199) = ( 0.3235294 0.1867898 1.3730521), wk = 0.0023148 k( 200) = ( 0.3382353 0.1952802 1.3730521), wk = 0.0023148 k( 201) = ( 0.3529412 0.2037707 1.3730521), wk = 0.0023148 k( 202) = ( 0.3676471 0.2122611 1.3730521), wk = 0.0023148 k( 203) = ( 0.3823529 0.2207516 1.3730521), wk = 0.0023148 k( 204) = ( 0.3970588 0.2292420 1.3730521), wk = 0.0023148 k( 205) = ( 0.4117647 0.2377325 1.3730521), wk = 0.0023148 k( 206) = ( 0.4264706 0.2462229 1.3730521), wk = 0.0023148 k( 207) = ( 0.4411765 0.2547134 1.3730521), wk = 0.0023148 k( 208) = ( 0.4558823 0.2632038 1.3730521), wk = 0.0023148 k( 209) = ( 0.4705882 0.2716942 1.3730521), wk = 0.0023148 k( 210) = ( 0.4852941 0.2801847 1.3730521), wk = 0.0023148 k( 211) = ( 0.5000000 0.2886751 1.3730521), wk = 0.0023148 k( 212) = ( 0.5000000 0.2886751 1.3730521), wk = 0.0023148 k( 213) = ( 0.4916667 0.3031089 1.3730521), wk = 0.0023148 k( 214) = ( 0.4833333 0.3175426 1.3730521), wk = 0.0023148 k( 215) = ( 0.4750000 0.3319764 1.3730521), wk = 0.0023148 k( 216) = ( 0.4666667 0.3464102 1.3730521), wk = 0.0023148 k( 217) = ( 0.4583333 0.3608439 1.3730521), wk = 0.0023148 k( 218) = ( 0.4500000 0.3752777 1.3730521), wk = 0.0023148 k( 219) = ( 0.4416667 0.3897114 1.3730521), wk = 0.0023148 k( 220) = ( 0.4333333 0.4041452 1.3730521), wk = 0.0023148 k( 221) = ( 0.4250000 0.4185789 1.3730521), wk = 0.0023148 k( 222) = ( 0.4166667 0.4330127 1.3730521), wk = 0.0023148 k( 223) = ( 0.4083333 0.4474465 1.3730521), wk = 0.0023148 k( 224) = ( 0.4000000 0.4618802 1.3730521), wk = 0.0023148 k( 225) = ( 0.3916667 0.4763140 1.3730521), wk = 0.0023148 k( 226) = ( 0.3833333 0.4907477 1.3730521), wk = 0.0023148 k( 227) = ( 0.3750000 0.5051815 1.3730521), wk = 0.0023148 k( 228) = ( 0.3666667 0.5196152 1.3730521), wk = 0.0023148 k( 229) = ( 0.3583333 0.5340490 1.3730521), wk = 0.0023148 k( 230) = ( 0.3500000 0.5484828 1.3730521), wk = 0.0023148 k( 231) = ( 0.3416667 0.5629165 1.3730521), wk = 0.0023148 k( 232) = ( 0.3333333 0.5773503 1.3730521), wk = 0.0023148 k( 233) = ( 0.3333333 0.5773503 1.3730521), wk = 0.0023148 k( 234) = ( 0.3247863 0.5625464 1.3730521), wk = 0.0023148 k( 235) = ( 0.3162393 0.5477426 1.3730521), wk = 0.0023148 k( 236) = ( 0.3076923 0.5329387 1.3730521), wk = 0.0023148 k( 237) = ( 0.2991453 0.5181349 1.3730521), wk = 0.0023148 k( 238) = ( 0.2905983 0.5033310 1.3730521), wk = 0.0023148 k( 239) = ( 0.2820513 0.4885271 1.3730521), wk = 0.0023148 k( 240) = ( 0.2735043 0.4737233 1.3730521), wk = 0.0023148 k( 241) = ( 0.2649573 0.4589194 1.3730521), wk = 0.0023148 k( 242) = ( 0.2564103 0.4441156 1.3730521), wk = 0.0023148 k( 243) = ( 0.2478633 0.4293117 1.3730521), wk = 0.0023148 k( 244) = ( 0.2393162 0.4145079 1.3730521), wk = 0.0023148 k( 245) = ( 0.2307692 0.3997040 1.3730521), wk = 0.0023148 k( 246) = ( 0.2222222 0.3849002 1.3730521), wk = 0.0023148 k( 247) = ( 0.2136752 0.3700963 1.3730521), wk = 0.0023148 k( 248) = ( 0.2051282 0.3552925 1.3730521), wk = 0.0023148 k( 249) = ( 0.1965812 0.3404886 1.3730521), wk = 0.0023148 k( 250) = ( 0.1880342 0.3256848 1.3730521), wk = 0.0023148 k( 251) = ( 0.1794872 0.3108809 1.3730521), wk = 0.0023148 k( 252) = ( 0.1709402 0.2960771 1.3730521), wk = 0.0023148 k( 253) = ( 0.1623932 0.2812732 1.3730521), wk = 0.0023148 k( 254) = ( 0.1538461 0.2664693 1.3730521), wk = 0.0023148 k( 255) = ( 0.1452991 0.2516655 1.3730521), wk = 0.0023148 k( 256) = ( 0.1367521 0.2368617 1.3730521), wk = 0.0023148 k( 257) = ( 0.1282051 0.2220578 1.3730521), wk = 0.0023148 k( 258) = ( 0.1196581 0.2072539 1.3730521), wk = 0.0023148 k( 259) = ( 0.1111111 0.1924501 1.3730521), wk = 0.0023148 k( 260) = ( 0.1025641 0.1776462 1.3730521), wk = 0.0023148 k( 261) = ( 0.0940171 0.1628424 1.3730521), wk = 0.0023148 k( 262) = ( 0.0854701 0.1480385 1.3730521), wk = 0.0023148 k( 263) = ( 0.0769231 0.1332347 1.3730521), wk = 0.0023148 k( 264) = ( 0.0683761 0.1184308 1.3730521), wk = 0.0023148 k( 265) = ( 0.0598291 0.1036270 1.3730521), wk = 0.0023148 k( 266) = ( 0.0512821 0.0888231 1.3730521), wk = 0.0023148 k( 267) = ( 0.0427350 0.0740193 1.3730521), wk = 0.0023148 k( 268) = ( 0.0341880 0.0592154 1.3730521), wk = 0.0023148 k( 269) = ( 0.0256410 0.0444116 1.3730521), wk = 0.0023148 k( 270) = ( 0.0170940 0.0296077 1.3730521), wk = 0.0023148 k( 271) = ( 0.0085470 0.0148039 1.3730521), wk = 0.0023148 k( 272) = ( 0.0000000 0.0000000 1.3730521), wk = 0.0023148 k( 273) = ( 0.5000000 0.2886751 1.3730521), wk = 0.0023148 k( 274) = ( 0.5000000 0.2886751 1.3556717), wk = 0.0023148 k( 275) = ( 0.5000000 0.2886751 1.3382913), wk = 0.0023148 k( 276) = ( 0.5000000 0.2886751 1.3209109), wk = 0.0023148 k( 277) = ( 0.5000000 0.2886751 1.3035305), wk = 0.0023148 k( 278) = ( 0.5000000 0.2886751 1.2861501), wk = 0.0023148 k( 279) = ( 0.5000000 0.2886751 1.2687697), wk = 0.0023148 k( 280) = ( 0.5000000 0.2886751 1.2513893), wk = 0.0023148 k( 281) = ( 0.5000000 0.2886751 1.2340089), wk = 0.0023148 k( 282) = ( 0.5000000 0.2886751 1.2166284), wk = 0.0023148 k( 283) = ( 0.5000000 0.2886751 1.1992481), wk = 0.0023148 k( 284) = ( 0.5000000 0.2886751 1.1818677), wk = 0.0023148 k( 285) = ( 0.5000000 0.2886751 1.1644872), wk = 0.0023148 k( 286) = ( 0.5000000 0.2886751 1.1471068), wk = 0.0023148 k( 287) = ( 0.5000000 0.2886751 1.1297264), wk = 0.0023148 k( 288) = ( 0.5000000 0.2886751 1.1123460), wk = 0.0023148 k( 289) = ( 0.5000000 0.2886751 1.0949656), wk = 0.0023148 k( 290) = ( 0.5000000 0.2886751 1.0775852), wk = 0.0023148 k( 291) = ( 0.5000000 0.2886751 1.0602048), wk = 0.0023148 k( 292) = ( 0.5000000 0.2886751 1.0428244), wk = 0.0023148 k( 293) = ( 0.5000000 0.2886751 1.0254440), wk = 0.0023148 k( 294) = ( 0.5000000 0.2886751 1.0080636), wk = 0.0023148 k( 295) = ( 0.5000000 0.2886751 0.9906832), wk = 0.0023148 k( 296) = ( 0.5000000 0.2886751 0.9733028), wk = 0.0023148 k( 297) = ( 0.5000000 0.2886751 0.9559224), wk = 0.0023148 k( 298) = ( 0.5000000 0.2886751 0.9385419), wk = 0.0023148 k( 299) = ( 0.5000000 0.2886751 0.9211616), wk = 0.0023148 k( 300) = ( 0.5000000 0.2886751 0.9037811), wk = 0.0023148 k( 301) = ( 0.5000000 0.2886751 0.8864007), wk = 0.0023148 k( 302) = ( 0.5000000 0.2886751 0.8690203), wk = 0.0023148 k( 303) = ( 0.5000000 0.2886751 0.8516399), wk = 0.0023148 k( 304) = ( 0.5000000 0.2886751 0.8342595), wk = 0.0023148 k( 305) = ( 0.5000000 0.2886751 0.8168791), wk = 0.0023148 k( 306) = ( 0.5000000 0.2886751 0.7994987), wk = 0.0023148 k( 307) = ( 0.5000000 0.2886751 0.7821183), wk = 0.0023148 k( 308) = ( 0.5000000 0.2886751 0.7647379), wk = 0.0023148 k( 309) = ( 0.5000000 0.2886751 0.7473575), wk = 0.0023148 k( 310) = ( 0.5000000 0.2886751 0.7299771), wk = 0.0023148 k( 311) = ( 0.5000000 0.2886751 0.7125967), wk = 0.0023148 k( 312) = ( 0.5000000 0.2886751 0.6952163), wk = 0.0023148 k( 313) = ( 0.5000000 0.2886751 0.6778358), wk = 0.0023148 k( 314) = ( 0.5000000 0.2886751 0.6604555), wk = 0.0023148 k( 315) = ( 0.5000000 0.2886751 0.6430751), wk = 0.0023148 k( 316) = ( 0.5000000 0.2886751 0.6256946), wk = 0.0023148 k( 317) = ( 0.5000000 0.2886751 0.6083142), wk = 0.0023148 k( 318) = ( 0.5000000 0.2886751 0.5909338), wk = 0.0023148 k( 319) = ( 0.5000000 0.2886751 0.5735534), wk = 0.0023148 k( 320) = ( 0.5000000 0.2886751 0.5561730), wk = 0.0023148 k( 321) = ( 0.5000000 0.2886751 0.5387926), wk = 0.0023148 k( 322) = ( 0.5000000 0.2886751 0.5214122), wk = 0.0023148 k( 323) = ( 0.5000000 0.2886751 0.5040318), wk = 0.0023148 k( 324) = ( 0.5000000 0.2886751 0.4866514), wk = 0.0023148 k( 325) = ( 0.5000000 0.2886751 0.4692710), wk = 0.0023148 k( 326) = ( 0.5000000 0.2886751 0.4518906), wk = 0.0023148 k( 327) = ( 0.5000000 0.2886751 0.4345102), wk = 0.0023148 k( 328) = ( 0.5000000 0.2886751 0.4171297), wk = 0.0023148 k( 329) = ( 0.5000000 0.2886751 0.3997494), wk = 0.0023148 k( 330) = ( 0.5000000 0.2886751 0.3823690), wk = 0.0023148 k( 331) = ( 0.5000000 0.2886751 0.3649885), wk = 0.0023148 k( 332) = ( 0.5000000 0.2886751 0.3476081), wk = 0.0023148 k( 333) = ( 0.5000000 0.2886751 0.3302277), wk = 0.0023148 k( 334) = ( 0.5000000 0.2886751 0.3128473), wk = 0.0023148 k( 335) = ( 0.5000000 0.2886751 0.2954669), wk = 0.0023148 k( 336) = ( 0.5000000 0.2886751 0.2780865), wk = 0.0023148 k( 337) = ( 0.5000000 0.2886751 0.2607061), wk = 0.0023148 k( 338) = ( 0.5000000 0.2886751 0.2433257), wk = 0.0023148 k( 339) = ( 0.5000000 0.2886751 0.2259453), wk = 0.0023148 k( 340) = ( 0.5000000 0.2886751 0.2085649), wk = 0.0023148 k( 341) = ( 0.5000000 0.2886751 0.1911845), wk = 0.0023148 k( 342) = ( 0.5000000 0.2886751 0.1738041), wk = 0.0023148 k( 343) = ( 0.5000000 0.2886751 0.1564237), wk = 0.0023148 k( 344) = ( 0.5000000 0.2886751 0.1390432), wk = 0.0023148 k( 345) = ( 0.5000000 0.2886751 0.1216629), wk = 0.0023148 k( 346) = ( 0.5000000 0.2886751 0.1042824), wk = 0.0023148 k( 347) = ( 0.5000000 0.2886751 0.0869020), wk = 0.0023148 k( 348) = ( 0.5000000 0.2886751 0.0695216), wk = 0.0023148 k( 349) = ( 0.5000000 0.2886751 0.0521412), wk = 0.0023148 k( 350) = ( 0.5000000 0.2886751 0.0347608), wk = 0.0023148 k( 351) = ( 0.5000000 0.2886751 0.0173804), wk = 0.0023148 k( 352) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0023148 k( 353) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0023148 k( 354) = ( 0.3333333 0.5773503 0.0173804), wk = 0.0023148 k( 355) = ( 0.3333333 0.5773503 0.0347608), wk = 0.0023148 k( 356) = ( 0.3333333 0.5773503 0.0521412), wk = 0.0023148 k( 357) = ( 0.3333333 0.5773503 0.0695216), wk = 0.0023148 k( 358) = ( 0.3333333 0.5773503 0.0869020), wk = 0.0023148 k( 359) = ( 0.3333333 0.5773503 0.1042824), wk = 0.0023148 k( 360) = ( 0.3333333 0.5773503 0.1216629), wk = 0.0023148 k( 361) = ( 0.3333333 0.5773503 0.1390432), wk = 0.0023148 k( 362) = ( 0.3333333 0.5773503 0.1564237), wk = 0.0023148 k( 363) = ( 0.3333333 0.5773503 0.1738041), wk = 0.0023148 k( 364) = ( 0.3333333 0.5773503 0.1911845), wk = 0.0023148 k( 365) = ( 0.3333333 0.5773503 0.2085649), wk = 0.0023148 k( 366) = ( 0.3333333 0.5773503 0.2259453), wk = 0.0023148 k( 367) = ( 0.3333333 0.5773503 0.2433257), wk = 0.0023148 k( 368) = ( 0.3333333 0.5773503 0.2607061), wk = 0.0023148 k( 369) = ( 0.3333333 0.5773503 0.2780865), wk = 0.0023148 k( 370) = ( 0.3333333 0.5773503 0.2954669), wk = 0.0023148 k( 371) = ( 0.3333333 0.5773503 0.3128473), wk = 0.0023148 k( 372) = ( 0.3333333 0.5773503 0.3302277), wk = 0.0023148 k( 373) = ( 0.3333333 0.5773503 0.3476081), wk = 0.0023148 k( 374) = ( 0.3333333 0.5773503 0.3649885), wk = 0.0023148 k( 375) = ( 0.3333333 0.5773503 0.3823690), wk = 0.0023148 k( 376) = ( 0.3333333 0.5773503 0.3997494), wk = 0.0023148 k( 377) = ( 0.3333333 0.5773503 0.4171297), wk = 0.0023148 k( 378) = ( 0.3333333 0.5773503 0.4345102), wk = 0.0023148 k( 379) = ( 0.3333333 0.5773503 0.4518906), wk = 0.0023148 k( 380) = ( 0.3333333 0.5773503 0.4692710), wk = 0.0023148 k( 381) = ( 0.3333333 0.5773503 0.4866514), wk = 0.0023148 k( 382) = ( 0.3333333 0.5773503 0.5040318), wk = 0.0023148 k( 383) = ( 0.3333333 0.5773503 0.5214122), wk = 0.0023148 k( 384) = ( 0.3333333 0.5773503 0.5387926), wk = 0.0023148 k( 385) = ( 0.3333333 0.5773503 0.5561730), wk = 0.0023148 k( 386) = ( 0.3333333 0.5773503 0.5735534), wk = 0.0023148 k( 387) = ( 0.3333333 0.5773503 0.5909338), wk = 0.0023148 k( 388) = ( 0.3333333 0.5773503 0.6083142), wk = 0.0023148 k( 389) = ( 0.3333333 0.5773503 0.6256946), wk = 0.0023148 k( 390) = ( 0.3333333 0.5773503 0.6430751), wk = 0.0023148 k( 391) = ( 0.3333333 0.5773503 0.6604555), wk = 0.0023148 k( 392) = ( 0.3333333 0.5773503 0.6778358), wk = 0.0023148 k( 393) = ( 0.3333333 0.5773503 0.6952163), wk = 0.0023148 k( 394) = ( 0.3333333 0.5773503 0.7125967), wk = 0.0023148 k( 395) = ( 0.3333333 0.5773503 0.7299771), wk = 0.0023148 k( 396) = ( 0.3333333 0.5773503 0.7473575), wk = 0.0023148 k( 397) = ( 0.3333333 0.5773503 0.7647379), wk = 0.0023148 k( 398) = ( 0.3333333 0.5773503 0.7821183), wk = 0.0023148 k( 399) = ( 0.3333333 0.5773503 0.7994987), wk = 0.0023148 k( 400) = ( 0.3333333 0.5773503 0.8168791), wk = 0.0023148 k( 401) = ( 0.3333333 0.5773503 0.8342595), wk = 0.0023148 k( 402) = ( 0.3333333 0.5773503 0.8516399), wk = 0.0023148 k( 403) = ( 0.3333333 0.5773503 0.8690203), wk = 0.0023148 k( 404) = ( 0.3333333 0.5773503 0.8864007), wk = 0.0023148 k( 405) = ( 0.3333333 0.5773503 0.9037811), wk = 0.0023148 k( 406) = ( 0.3333333 0.5773503 0.9211616), wk = 0.0023148 k( 407) = ( 0.3333333 0.5773503 0.9385419), wk = 0.0023148 k( 408) = ( 0.3333333 0.5773503 0.9559224), wk = 0.0023148 k( 409) = ( 0.3333333 0.5773503 0.9733028), wk = 0.0023148 k( 410) = ( 0.3333333 0.5773503 0.9906832), wk = 0.0023148 k( 411) = ( 0.3333333 0.5773503 1.0080636), wk = 0.0023148 k( 412) = ( 0.3333333 0.5773503 1.0254440), wk = 0.0023148 k( 413) = ( 0.3333333 0.5773503 1.0428244), wk = 0.0023148 k( 414) = ( 0.3333333 0.5773503 1.0602048), wk = 0.0023148 k( 415) = ( 0.3333333 0.5773503 1.0775852), wk = 0.0023148 k( 416) = ( 0.3333333 0.5773503 1.0949656), wk = 0.0023148 k( 417) = ( 0.3333333 0.5773503 1.1123460), wk = 0.0023148 k( 418) = ( 0.3333333 0.5773503 1.1297264), wk = 0.0023148 k( 419) = ( 0.3333333 0.5773503 1.1471068), wk = 0.0023148 k( 420) = ( 0.3333333 0.5773503 1.1644872), wk = 0.0023148 k( 421) = ( 0.3333333 0.5773503 1.1818677), wk = 0.0023148 k( 422) = ( 0.3333333 0.5773503 1.1992481), wk = 0.0023148 k( 423) = ( 0.3333333 0.5773503 1.2166284), wk = 0.0023148 k( 424) = ( 0.3333333 0.5773503 1.2340089), wk = 0.0023148 k( 425) = ( 0.3333333 0.5773503 1.2513893), wk = 0.0023148 k( 426) = ( 0.3333333 0.5773503 1.2687697), wk = 0.0023148 k( 427) = ( 0.3333333 0.5773503 1.2861501), wk = 0.0023148 k( 428) = ( 0.3333333 0.5773503 1.3035305), wk = 0.0023148 k( 429) = ( 0.3333333 0.5773503 1.3209109), wk = 0.0023148 k( 430) = ( 0.3333333 0.5773503 1.3382913), wk = 0.0023148 k( 431) = ( 0.3333333 0.5773503 1.3556717), wk = 0.0023148 k( 432) = ( 0.3333333 0.5773503 1.3730521), wk = 0.0023148 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023148 k( 2) = ( 0.0147059 -0.0000000 -0.0000000), wk = 0.0023148 k( 3) = ( 0.0294118 -0.0000000 -0.0000000), wk = 0.0023148 k( 4) = ( 0.0441177 0.0000000 -0.0000000), wk = 0.0023148 k( 5) = ( 0.0588235 0.0000000 -0.0000000), wk = 0.0023148 k( 6) = ( 0.0735294 -0.0000000 -0.0000000), wk = 0.0023148 k( 7) = ( 0.0882353 0.0000000 -0.0000000), wk = 0.0023148 k( 8) = ( 0.1029412 -0.0000000 0.0000000), wk = 0.0023148 k( 9) = ( 0.1176471 0.0000000 -0.0000000), wk = 0.0023148 k( 10) = ( 0.1323529 0.0000000 0.0000000), wk = 0.0023148 k( 11) = ( 0.1470588 -0.0000000 -0.0000000), wk = 0.0023148 k( 12) = ( 0.1617647 0.0000000 0.0000000), wk = 0.0023148 k( 13) = ( 0.1764706 -0.0000000 -0.0000000), wk = 0.0023148 k( 14) = ( 0.1911765 0.0000000 0.0000000), wk = 0.0023148 k( 15) = ( 0.2058823 -0.0000000 -0.0000000), wk = 0.0023148 k( 16) = ( 0.2205882 0.0000000 -0.0000000), wk = 0.0023148 k( 17) = ( 0.2352941 0.0000000 -0.0000000), wk = 0.0023148 k( 18) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0023148 k( 19) = ( 0.2647059 0.0000000 0.0000000), wk = 0.0023148 k( 20) = ( 0.2794118 -0.0000000 -0.0000000), wk = 0.0023148 k( 21) = ( 0.2941177 -0.0000000 -0.0000000), wk = 0.0023148 k( 22) = ( 0.3088235 -0.0000000 -0.0000000), wk = 0.0023148 k( 23) = ( 0.3235294 0.0000000 -0.0000000), wk = 0.0023148 k( 24) = ( 0.3382353 -0.0000000 0.0000000), wk = 0.0023148 k( 25) = ( 0.3529412 -0.0000000 -0.0000000), wk = 0.0023148 k( 26) = ( 0.3676471 -0.0000000 0.0000000), wk = 0.0023148 k( 27) = ( 0.3823529 0.0000000 0.0000000), wk = 0.0023148 k( 28) = ( 0.3970588 0.0000000 -0.0000000), wk = 0.0023148 k( 29) = ( 0.4117647 0.0000000 -0.0000000), wk = 0.0023148 k( 30) = ( 0.4264706 -0.0000000 -0.0000000), wk = 0.0023148 k( 31) = ( 0.4411765 -0.0000000 -0.0000000), wk = 0.0023148 k( 32) = ( 0.4558823 0.0000000 0.0000000), wk = 0.0023148 k( 33) = ( 0.4705882 0.0000000 -0.0000000), wk = 0.0023148 k( 34) = ( 0.4852941 -0.0000000 -0.0000000), wk = 0.0023148 k( 35) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0023148 k( 36) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0023148 k( 37) = ( 0.4916667 0.0166667 0.0000000), wk = 0.0023148 k( 38) = ( 0.4833333 0.0333333 0.0000000), wk = 0.0023148 k( 39) = ( 0.4750000 0.0500000 -0.0000000), wk = 0.0023148 k( 40) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0023148 k( 41) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0023148 k( 42) = ( 0.4500000 0.1000000 -0.0000000), wk = 0.0023148 k( 43) = ( 0.4416667 0.1166667 0.0000000), wk = 0.0023148 k( 44) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0023148 k( 45) = ( 0.4250000 0.1500000 -0.0000000), wk = 0.0023148 k( 46) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0023148 k( 47) = ( 0.4083333 0.1833333 -0.0000000), wk = 0.0023148 k( 48) = ( 0.4000000 0.2000000 -0.0000000), wk = 0.0023148 k( 49) = ( 0.3916667 0.2166667 0.0000000), wk = 0.0023148 k( 50) = ( 0.3833333 0.2333333 -0.0000000), wk = 0.0023148 k( 51) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0023148 k( 52) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0023148 k( 53) = ( 0.3583333 0.2833333 0.0000000), wk = 0.0023148 k( 54) = ( 0.3500000 0.3000000 0.0000000), wk = 0.0023148 k( 55) = ( 0.3416667 0.3166667 0.0000000), wk = 0.0023148 k( 56) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0023148 k( 57) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0023148 k( 58) = ( 0.3247863 0.3247863 0.0000000), wk = 0.0023148 k( 59) = ( 0.3162393 0.3162393 0.0000000), wk = 0.0023148 k( 60) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0023148 k( 61) = ( 0.2991453 0.2991453 -0.0000000), wk = 0.0023148 k( 62) = ( 0.2905983 0.2905983 -0.0000000), wk = 0.0023148 k( 63) = ( 0.2820513 0.2820513 -0.0000000), wk = 0.0023148 k( 64) = ( 0.2735043 0.2735043 0.0000000), wk = 0.0023148 k( 65) = ( 0.2649573 0.2649573 -0.0000000), wk = 0.0023148 k( 66) = ( 0.2564103 0.2564103 -0.0000000), wk = 0.0023148 k( 67) = ( 0.2478633 0.2478633 0.0000000), wk = 0.0023148 k( 68) = ( 0.2393162 0.2393162 0.0000000), wk = 0.0023148 k( 69) = ( 0.2307692 0.2307692 -0.0000000), wk = 0.0023148 k( 70) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0023148 k( 71) = ( 0.2136752 0.2136752 0.0000000), wk = 0.0023148 k( 72) = ( 0.2051282 0.2051282 0.0000000), wk = 0.0023148 k( 73) = ( 0.1965812 0.1965812 0.0000000), wk = 0.0023148 k( 74) = ( 0.1880342 0.1880342 0.0000000), wk = 0.0023148 k( 75) = ( 0.1794872 0.1794872 0.0000000), wk = 0.0023148 k( 76) = ( 0.1709402 0.1709402 0.0000000), wk = 0.0023148 k( 77) = ( 0.1623932 0.1623932 0.0000000), wk = 0.0023148 k( 78) = ( 0.1538461 0.1538461 0.0000000), wk = 0.0023148 k( 79) = ( 0.1452991 0.1452992 0.0000000), wk = 0.0023148 k( 80) = ( 0.1367521 0.1367521 -0.0000000), wk = 0.0023148 k( 81) = ( 0.1282051 0.1282051 -0.0000000), wk = 0.0023148 k( 82) = ( 0.1196581 0.1196581 0.0000000), wk = 0.0023148 k( 83) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0023148 k( 84) = ( 0.1025641 0.1025641 -0.0000000), wk = 0.0023148 k( 85) = ( 0.0940171 0.0940171 0.0000000), wk = 0.0023148 k( 86) = ( 0.0854701 0.0854701 -0.0000000), wk = 0.0023148 k( 87) = ( 0.0769231 0.0769231 0.0000000), wk = 0.0023148 k( 88) = ( 0.0683761 0.0683761 -0.0000000), wk = 0.0023148 k( 89) = ( 0.0598291 0.0598291 0.0000000), wk = 0.0023148 k( 90) = ( 0.0512821 0.0512821 -0.0000000), wk = 0.0023148 k( 91) = ( 0.0427350 0.0427350 -0.0000000), wk = 0.0023148 k( 92) = ( 0.0341880 0.0341880 0.0000000), wk = 0.0023148 k( 93) = ( 0.0256410 0.0256410 -0.0000000), wk = 0.0023148 k( 94) = ( 0.0170940 0.0170940 0.0000000), wk = 0.0023148 k( 95) = ( 0.0085470 0.0085470 0.0000000), wk = 0.0023148 k( 96) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023148 k( 97) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023148 k( 98) = ( 0.0000000 0.0000000 0.0063291), wk = 0.0023148 k( 99) = ( 0.0000000 0.0000000 0.0126582), wk = 0.0023148 k( 100) = ( 0.0000000 0.0000000 0.0189873), wk = 0.0023148 k( 101) = ( 0.0000000 0.0000000 0.0253165), wk = 0.0023148 k( 102) = ( 0.0000000 0.0000000 0.0316456), wk = 0.0023148 k( 103) = ( 0.0000000 0.0000000 0.0379747), wk = 0.0023148 k( 104) = ( 0.0000000 0.0000000 0.0443038), wk = 0.0023148 k( 105) = ( 0.0000000 0.0000000 0.0506329), wk = 0.0023148 k( 106) = ( 0.0000000 0.0000000 0.0569620), wk = 0.0023148 k( 107) = ( 0.0000000 0.0000000 0.0632911), wk = 0.0023148 k( 108) = ( 0.0000000 0.0000000 0.0696202), wk = 0.0023148 k( 109) = ( 0.0000000 0.0000000 0.0759494), wk = 0.0023148 k( 110) = ( 0.0000000 0.0000000 0.0822785), wk = 0.0023148 k( 111) = ( 0.0000000 0.0000000 0.0886076), wk = 0.0023148 k( 112) = ( 0.0000000 0.0000000 0.0949367), wk = 0.0023148 k( 113) = ( 0.0000000 0.0000000 0.1012658), wk = 0.0023148 k( 114) = ( 0.0000000 0.0000000 0.1075949), wk = 0.0023148 k( 115) = ( 0.0000000 0.0000000 0.1139240), wk = 0.0023148 k( 116) = ( 0.0000000 0.0000000 0.1202532), wk = 0.0023148 k( 117) = ( 0.0000000 0.0000000 0.1265823), wk = 0.0023148 k( 118) = ( 0.0000000 0.0000000 0.1329114), wk = 0.0023148 k( 119) = ( 0.0000000 0.0000000 0.1392405), wk = 0.0023148 k( 120) = ( 0.0000000 0.0000000 0.1455696), wk = 0.0023148 k( 121) = ( 0.0000000 0.0000000 0.1518987), wk = 0.0023148 k( 122) = ( 0.0000000 0.0000000 0.1582279), wk = 0.0023148 k( 123) = ( 0.0000000 0.0000000 0.1645570), wk = 0.0023148 k( 124) = ( 0.0000000 0.0000000 0.1708861), wk = 0.0023148 k( 125) = ( 0.0000000 0.0000000 0.1772152), wk = 0.0023148 k( 126) = ( 0.0000000 0.0000000 0.1835443), wk = 0.0023148 k( 127) = ( 0.0000000 0.0000000 0.1898734), wk = 0.0023148 k( 128) = ( 0.0000000 0.0000000 0.1962025), wk = 0.0023148 k( 129) = ( 0.0000000 0.0000000 0.2025317), wk = 0.0023148 k( 130) = ( 0.0000000 0.0000000 0.2088608), wk = 0.0023148 k( 131) = ( 0.0000000 0.0000000 0.2151899), wk = 0.0023148 k( 132) = ( 0.0000000 0.0000000 0.2215190), wk = 0.0023148 k( 133) = ( 0.0000000 0.0000000 0.2278481), wk = 0.0023148 k( 134) = ( 0.0000000 0.0000000 0.2341772), wk = 0.0023148 k( 135) = ( 0.0000000 0.0000000 0.2405063), wk = 0.0023148 k( 136) = ( 0.0000000 0.0000000 0.2468354), wk = 0.0023148 k( 137) = ( 0.0000000 0.0000000 0.2531646), wk = 0.0023148 k( 138) = ( 0.0000000 0.0000000 0.2594937), wk = 0.0023148 k( 139) = ( 0.0000000 0.0000000 0.2658228), wk = 0.0023148 k( 140) = ( 0.0000000 0.0000000 0.2721519), wk = 0.0023148 k( 141) = ( 0.0000000 0.0000000 0.2784810), wk = 0.0023148 k( 142) = ( 0.0000000 0.0000000 0.2848101), wk = 0.0023148 k( 143) = ( 0.0000000 0.0000000 0.2911392), wk = 0.0023148 k( 144) = ( 0.0000000 0.0000000 0.2974683), wk = 0.0023148 k( 145) = ( 0.0000000 0.0000000 0.3037975), wk = 0.0023148 k( 146) = ( 0.0000000 0.0000000 0.3101266), wk = 0.0023148 k( 147) = ( 0.0000000 0.0000000 0.3164557), wk = 0.0023148 k( 148) = ( 0.0000000 0.0000000 0.3227848), wk = 0.0023148 k( 149) = ( 0.0000000 0.0000000 0.3291139), wk = 0.0023148 k( 150) = ( 0.0000000 0.0000000 0.3354430), wk = 0.0023148 k( 151) = ( 0.0000000 0.0000000 0.3417721), wk = 0.0023148 k( 152) = ( 0.0000000 0.0000000 0.3481013), wk = 0.0023148 k( 153) = ( 0.0000000 0.0000000 0.3544304), wk = 0.0023148 k( 154) = ( 0.0000000 0.0000000 0.3607595), wk = 0.0023148 k( 155) = ( 0.0000000 0.0000000 0.3670886), wk = 0.0023148 k( 156) = ( 0.0000000 0.0000000 0.3734177), wk = 0.0023148 k( 157) = ( 0.0000000 0.0000000 0.3797468), wk = 0.0023148 k( 158) = ( 0.0000000 0.0000000 0.3860760), wk = 0.0023148 k( 159) = ( 0.0000000 0.0000000 0.3924051), wk = 0.0023148 k( 160) = ( 0.0000000 0.0000000 0.3987342), wk = 0.0023148 k( 161) = ( 0.0000000 0.0000000 0.4050633), wk = 0.0023148 k( 162) = ( 0.0000000 0.0000000 0.4113924), wk = 0.0023148 k( 163) = ( 0.0000000 0.0000000 0.4177215), wk = 0.0023148 k( 164) = ( 0.0000000 0.0000000 0.4240506), wk = 0.0023148 k( 165) = ( 0.0000000 0.0000000 0.4303798), wk = 0.0023148 k( 166) = ( 0.0000000 0.0000000 0.4367089), wk = 0.0023148 k( 167) = ( 0.0000000 0.0000000 0.4430380), wk = 0.0023148 k( 168) = ( 0.0000000 0.0000000 0.4493671), wk = 0.0023148 k( 169) = ( 0.0000000 0.0000000 0.4556962), wk = 0.0023148 k( 170) = ( 0.0000000 0.0000000 0.4620253), wk = 0.0023148 k( 171) = ( 0.0000000 0.0000000 0.4683544), wk = 0.0023148 k( 172) = ( 0.0000000 0.0000000 0.4746835), wk = 0.0023148 k( 173) = ( 0.0000000 0.0000000 0.4810127), wk = 0.0023148 k( 174) = ( 0.0000000 0.0000000 0.4873418), wk = 0.0023148 k( 175) = ( 0.0000000 0.0000000 0.4936709), wk = 0.0023148 k( 176) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023148 k( 177) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023148 k( 178) = ( 0.0147059 -0.0000000 0.5000000), wk = 0.0023148 k( 179) = ( 0.0294118 -0.0000000 0.5000000), wk = 0.0023148 k( 180) = ( 0.0441177 0.0000000 0.5000000), wk = 0.0023148 k( 181) = ( 0.0588235 0.0000000 0.5000000), wk = 0.0023148 k( 182) = ( 0.0735294 -0.0000000 0.5000000), wk = 0.0023148 k( 183) = ( 0.0882353 0.0000000 0.5000000), wk = 0.0023148 k( 184) = ( 0.1029412 -0.0000000 0.5000000), wk = 0.0023148 k( 185) = ( 0.1176471 0.0000000 0.5000000), wk = 0.0023148 k( 186) = ( 0.1323529 0.0000000 0.5000000), wk = 0.0023148 k( 187) = ( 0.1470588 -0.0000000 0.5000000), wk = 0.0023148 k( 188) = ( 0.1617647 0.0000000 0.5000000), wk = 0.0023148 k( 189) = ( 0.1764706 -0.0000000 0.5000000), wk = 0.0023148 k( 190) = ( 0.1911765 0.0000000 0.5000000), wk = 0.0023148 k( 191) = ( 0.2058823 -0.0000000 0.5000000), wk = 0.0023148 k( 192) = ( 0.2205882 0.0000000 0.5000000), wk = 0.0023148 k( 193) = ( 0.2352941 0.0000000 0.5000000), wk = 0.0023148 k( 194) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0023148 k( 195) = ( 0.2647059 0.0000000 0.5000000), wk = 0.0023148 k( 196) = ( 0.2794118 -0.0000000 0.5000000), wk = 0.0023148 k( 197) = ( 0.2941177 -0.0000000 0.5000000), wk = 0.0023148 k( 198) = ( 0.3088235 -0.0000000 0.5000000), wk = 0.0023148 k( 199) = ( 0.3235294 0.0000000 0.5000000), wk = 0.0023148 k( 200) = ( 0.3382353 -0.0000000 0.5000000), wk = 0.0023148 k( 201) = ( 0.3529412 -0.0000000 0.5000000), wk = 0.0023148 k( 202) = ( 0.3676471 -0.0000000 0.5000000), wk = 0.0023148 k( 203) = ( 0.3823529 0.0000000 0.5000000), wk = 0.0023148 k( 204) = ( 0.3970588 0.0000000 0.5000000), wk = 0.0023148 k( 205) = ( 0.4117647 0.0000000 0.5000000), wk = 0.0023148 k( 206) = ( 0.4264706 -0.0000000 0.5000000), wk = 0.0023148 k( 207) = ( 0.4411765 -0.0000000 0.5000000), wk = 0.0023148 k( 208) = ( 0.4558823 0.0000000 0.5000000), wk = 0.0023148 k( 209) = ( 0.4705882 0.0000000 0.5000000), wk = 0.0023148 k( 210) = ( 0.4852941 -0.0000000 0.5000000), wk = 0.0023148 k( 211) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023148 k( 212) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023148 k( 213) = ( 0.4916667 0.0166667 0.5000000), wk = 0.0023148 k( 214) = ( 0.4833333 0.0333333 0.5000000), wk = 0.0023148 k( 215) = ( 0.4750000 0.0500000 0.5000000), wk = 0.0023148 k( 216) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0023148 k( 217) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0023148 k( 218) = ( 0.4500000 0.1000000 0.5000000), wk = 0.0023148 k( 219) = ( 0.4416667 0.1166667 0.5000000), wk = 0.0023148 k( 220) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0023148 k( 221) = ( 0.4250000 0.1500000 0.5000000), wk = 0.0023148 k( 222) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0023148 k( 223) = ( 0.4083333 0.1833333 0.5000000), wk = 0.0023148 k( 224) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0023148 k( 225) = ( 0.3916667 0.2166667 0.5000000), wk = 0.0023148 k( 226) = ( 0.3833333 0.2333333 0.5000000), wk = 0.0023148 k( 227) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0023148 k( 228) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0023148 k( 229) = ( 0.3583333 0.2833333 0.5000000), wk = 0.0023148 k( 230) = ( 0.3500000 0.3000000 0.5000000), wk = 0.0023148 k( 231) = ( 0.3416667 0.3166667 0.5000000), wk = 0.0023148 k( 232) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0023148 k( 233) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0023148 k( 234) = ( 0.3247863 0.3247863 0.5000000), wk = 0.0023148 k( 235) = ( 0.3162393 0.3162393 0.5000000), wk = 0.0023148 k( 236) = ( 0.3076923 0.3076923 0.5000000), wk = 0.0023148 k( 237) = ( 0.2991453 0.2991453 0.5000000), wk = 0.0023148 k( 238) = ( 0.2905983 0.2905983 0.5000000), wk = 0.0023148 k( 239) = ( 0.2820513 0.2820513 0.5000000), wk = 0.0023148 k( 240) = ( 0.2735043 0.2735043 0.5000000), wk = 0.0023148 k( 241) = ( 0.2649573 0.2649573 0.5000000), wk = 0.0023148 k( 242) = ( 0.2564103 0.2564103 0.5000000), wk = 0.0023148 k( 243) = ( 0.2478633 0.2478633 0.5000000), wk = 0.0023148 k( 244) = ( 0.2393162 0.2393162 0.5000000), wk = 0.0023148 k( 245) = ( 0.2307692 0.2307692 0.5000000), wk = 0.0023148 k( 246) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0023148 k( 247) = ( 0.2136752 0.2136752 0.5000000), wk = 0.0023148 k( 248) = ( 0.2051282 0.2051282 0.5000000), wk = 0.0023148 k( 249) = ( 0.1965812 0.1965812 0.5000000), wk = 0.0023148 k( 250) = ( 0.1880342 0.1880342 0.5000000), wk = 0.0023148 k( 251) = ( 0.1794872 0.1794872 0.5000000), wk = 0.0023148 k( 252) = ( 0.1709402 0.1709402 0.5000000), wk = 0.0023148 k( 253) = ( 0.1623932 0.1623932 0.5000000), wk = 0.0023148 k( 254) = ( 0.1538461 0.1538461 0.5000000), wk = 0.0023148 k( 255) = ( 0.1452991 0.1452992 0.5000000), wk = 0.0023148 k( 256) = ( 0.1367521 0.1367521 0.5000000), wk = 0.0023148 k( 257) = ( 0.1282051 0.1282051 0.5000000), wk = 0.0023148 k( 258) = ( 0.1196581 0.1196581 0.5000000), wk = 0.0023148 k( 259) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0023148 k( 260) = ( 0.1025641 0.1025641 0.5000000), wk = 0.0023148 k( 261) = ( 0.0940171 0.0940171 0.5000000), wk = 0.0023148 k( 262) = ( 0.0854701 0.0854701 0.5000000), wk = 0.0023148 k( 263) = ( 0.0769231 0.0769231 0.5000000), wk = 0.0023148 k( 264) = ( 0.0683761 0.0683761 0.5000000), wk = 0.0023148 k( 265) = ( 0.0598291 0.0598291 0.5000000), wk = 0.0023148 k( 266) = ( 0.0512821 0.0512821 0.5000000), wk = 0.0023148 k( 267) = ( 0.0427350 0.0427350 0.5000000), wk = 0.0023148 k( 268) = ( 0.0341880 0.0341880 0.5000000), wk = 0.0023148 k( 269) = ( 0.0256410 0.0256410 0.5000000), wk = 0.0023148 k( 270) = ( 0.0170940 0.0170940 0.5000000), wk = 0.0023148 k( 271) = ( 0.0085470 0.0085470 0.5000000), wk = 0.0023148 k( 272) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023148 k( 273) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023148 k( 274) = ( 0.5000000 0.0000000 0.4936709), wk = 0.0023148 k( 275) = ( 0.5000000 0.0000000 0.4873418), wk = 0.0023148 k( 276) = ( 0.5000000 0.0000000 0.4810127), wk = 0.0023148 k( 277) = ( 0.5000000 0.0000000 0.4746835), wk = 0.0023148 k( 278) = ( 0.5000000 0.0000000 0.4683544), wk = 0.0023148 k( 279) = ( 0.5000000 0.0000000 0.4620253), wk = 0.0023148 k( 280) = ( 0.5000000 0.0000000 0.4556962), wk = 0.0023148 k( 281) = ( 0.5000000 0.0000000 0.4493671), wk = 0.0023148 k( 282) = ( 0.5000000 0.0000000 0.4430380), wk = 0.0023148 k( 283) = ( 0.5000000 0.0000000 0.4367089), wk = 0.0023148 k( 284) = ( 0.5000000 0.0000000 0.4303798), wk = 0.0023148 k( 285) = ( 0.5000000 0.0000000 0.4240506), wk = 0.0023148 k( 286) = ( 0.5000000 0.0000000 0.4177215), wk = 0.0023148 k( 287) = ( 0.5000000 0.0000000 0.4113924), wk = 0.0023148 k( 288) = ( 0.5000000 0.0000000 0.4050633), wk = 0.0023148 k( 289) = ( 0.5000000 0.0000000 0.3987342), wk = 0.0023148 k( 290) = ( 0.5000000 0.0000000 0.3924051), wk = 0.0023148 k( 291) = ( 0.5000000 0.0000000 0.3860760), wk = 0.0023148 k( 292) = ( 0.5000000 0.0000000 0.3797468), wk = 0.0023148 k( 293) = ( 0.5000000 0.0000000 0.3734177), wk = 0.0023148 k( 294) = ( 0.5000000 0.0000000 0.3670886), wk = 0.0023148 k( 295) = ( 0.5000000 0.0000000 0.3607595), wk = 0.0023148 k( 296) = ( 0.5000000 0.0000000 0.3544304), wk = 0.0023148 k( 297) = ( 0.5000000 0.0000000 0.3481013), wk = 0.0023148 k( 298) = ( 0.5000000 0.0000000 0.3417721), wk = 0.0023148 k( 299) = ( 0.5000000 0.0000000 0.3354430), wk = 0.0023148 k( 300) = ( 0.5000000 0.0000000 0.3291139), wk = 0.0023148 k( 301) = ( 0.5000000 0.0000000 0.3227848), wk = 0.0023148 k( 302) = ( 0.5000000 0.0000000 0.3164557), wk = 0.0023148 k( 303) = ( 0.5000000 0.0000000 0.3101266), wk = 0.0023148 k( 304) = ( 0.5000000 0.0000000 0.3037975), wk = 0.0023148 k( 305) = ( 0.5000000 0.0000000 0.2974683), wk = 0.0023148 k( 306) = ( 0.5000000 0.0000000 0.2911392), wk = 0.0023148 k( 307) = ( 0.5000000 0.0000000 0.2848101), wk = 0.0023148 k( 308) = ( 0.5000000 0.0000000 0.2784810), wk = 0.0023148 k( 309) = ( 0.5000000 0.0000000 0.2721519), wk = 0.0023148 k( 310) = ( 0.5000000 0.0000000 0.2658228), wk = 0.0023148 k( 311) = ( 0.5000000 0.0000000 0.2594937), wk = 0.0023148 k( 312) = ( 0.5000000 0.0000000 0.2531646), wk = 0.0023148 k( 313) = ( 0.5000000 0.0000000 0.2468354), wk = 0.0023148 k( 314) = ( 0.5000000 0.0000000 0.2405063), wk = 0.0023148 k( 315) = ( 0.5000000 0.0000000 0.2341772), wk = 0.0023148 k( 316) = ( 0.5000000 0.0000000 0.2278481), wk = 0.0023148 k( 317) = ( 0.5000000 0.0000000 0.2215190), wk = 0.0023148 k( 318) = ( 0.5000000 0.0000000 0.2151899), wk = 0.0023148 k( 319) = ( 0.5000000 0.0000000 0.2088608), wk = 0.0023148 k( 320) = ( 0.5000000 0.0000000 0.2025317), wk = 0.0023148 k( 321) = ( 0.5000000 0.0000000 0.1962025), wk = 0.0023148 k( 322) = ( 0.5000000 0.0000000 0.1898734), wk = 0.0023148 k( 323) = ( 0.5000000 0.0000000 0.1835443), wk = 0.0023148 k( 324) = ( 0.5000000 0.0000000 0.1772152), wk = 0.0023148 k( 325) = ( 0.5000000 0.0000000 0.1708861), wk = 0.0023148 k( 326) = ( 0.5000000 0.0000000 0.1645570), wk = 0.0023148 k( 327) = ( 0.5000000 0.0000000 0.1582279), wk = 0.0023148 k( 328) = ( 0.5000000 0.0000000 0.1518987), wk = 0.0023148 k( 329) = ( 0.5000000 0.0000000 0.1455696), wk = 0.0023148 k( 330) = ( 0.5000000 0.0000000 0.1392405), wk = 0.0023148 k( 331) = ( 0.5000000 0.0000000 0.1329114), wk = 0.0023148 k( 332) = ( 0.5000000 0.0000000 0.1265823), wk = 0.0023148 k( 333) = ( 0.5000000 0.0000000 0.1202532), wk = 0.0023148 k( 334) = ( 0.5000000 0.0000000 0.1139240), wk = 0.0023148 k( 335) = ( 0.5000000 0.0000000 0.1075949), wk = 0.0023148 k( 336) = ( 0.5000000 0.0000000 0.1012658), wk = 0.0023148 k( 337) = ( 0.5000000 0.0000000 0.0949367), wk = 0.0023148 k( 338) = ( 0.5000000 0.0000000 0.0886076), wk = 0.0023148 k( 339) = ( 0.5000000 0.0000000 0.0822785), wk = 0.0023148 k( 340) = ( 0.5000000 0.0000000 0.0759494), wk = 0.0023148 k( 341) = ( 0.5000000 0.0000000 0.0696202), wk = 0.0023148 k( 342) = ( 0.5000000 0.0000000 0.0632911), wk = 0.0023148 k( 343) = ( 0.5000000 0.0000000 0.0569620), wk = 0.0023148 k( 344) = ( 0.5000000 0.0000000 0.0506329), wk = 0.0023148 k( 345) = ( 0.5000000 0.0000000 0.0443038), wk = 0.0023148 k( 346) = ( 0.5000000 0.0000000 0.0379747), wk = 0.0023148 k( 347) = ( 0.5000000 0.0000000 0.0316456), wk = 0.0023148 k( 348) = ( 0.5000000 0.0000000 0.0253165), wk = 0.0023148 k( 349) = ( 0.5000000 0.0000000 0.0189873), wk = 0.0023148 k( 350) = ( 0.5000000 0.0000000 0.0126582), wk = 0.0023148 k( 351) = ( 0.5000000 0.0000000 0.0063291), wk = 0.0023148 k( 352) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0023148 k( 353) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0023148 k( 354) = ( 0.3333333 0.3333333 0.0063291), wk = 0.0023148 k( 355) = ( 0.3333333 0.3333333 0.0126582), wk = 0.0023148 k( 356) = ( 0.3333333 0.3333333 0.0189873), wk = 0.0023148 k( 357) = ( 0.3333333 0.3333333 0.0253165), wk = 0.0023148 k( 358) = ( 0.3333333 0.3333333 0.0316456), wk = 0.0023148 k( 359) = ( 0.3333333 0.3333333 0.0379747), wk = 0.0023148 k( 360) = ( 0.3333333 0.3333333 0.0443038), wk = 0.0023148 k( 361) = ( 0.3333333 0.3333333 0.0506329), wk = 0.0023148 k( 362) = ( 0.3333333 0.3333333 0.0569620), wk = 0.0023148 k( 363) = ( 0.3333333 0.3333333 0.0632911), wk = 0.0023148 k( 364) = ( 0.3333333 0.3333333 0.0696202), wk = 0.0023148 k( 365) = ( 0.3333333 0.3333333 0.0759494), wk = 0.0023148 k( 366) = ( 0.3333333 0.3333333 0.0822785), wk = 0.0023148 k( 367) = ( 0.3333333 0.3333333 0.0886076), wk = 0.0023148 k( 368) = ( 0.3333333 0.3333333 0.0949367), wk = 0.0023148 k( 369) = ( 0.3333333 0.3333333 0.1012658), wk = 0.0023148 k( 370) = ( 0.3333333 0.3333333 0.1075949), wk = 0.0023148 k( 371) = ( 0.3333333 0.3333333 0.1139240), wk = 0.0023148 k( 372) = ( 0.3333333 0.3333333 0.1202532), wk = 0.0023148 k( 373) = ( 0.3333333 0.3333333 0.1265823), wk = 0.0023148 k( 374) = ( 0.3333333 0.3333333 0.1329114), wk = 0.0023148 k( 375) = ( 0.3333333 0.3333333 0.1392405), wk = 0.0023148 k( 376) = ( 0.3333333 0.3333333 0.1455696), wk = 0.0023148 k( 377) = ( 0.3333333 0.3333333 0.1518987), wk = 0.0023148 k( 378) = ( 0.3333333 0.3333333 0.1582279), wk = 0.0023148 k( 379) = ( 0.3333333 0.3333333 0.1645570), wk = 0.0023148 k( 380) = ( 0.3333333 0.3333333 0.1708861), wk = 0.0023148 k( 381) = ( 0.3333333 0.3333333 0.1772152), wk = 0.0023148 k( 382) = ( 0.3333333 0.3333333 0.1835443), wk = 0.0023148 k( 383) = ( 0.3333333 0.3333333 0.1898734), wk = 0.0023148 k( 384) = ( 0.3333333 0.3333333 0.1962025), wk = 0.0023148 k( 385) = ( 0.3333333 0.3333333 0.2025317), wk = 0.0023148 k( 386) = ( 0.3333333 0.3333333 0.2088608), wk = 0.0023148 k( 387) = ( 0.3333333 0.3333333 0.2151899), wk = 0.0023148 k( 388) = ( 0.3333333 0.3333333 0.2215190), wk = 0.0023148 k( 389) = ( 0.3333333 0.3333333 0.2278481), wk = 0.0023148 k( 390) = ( 0.3333333 0.3333333 0.2341772), wk = 0.0023148 k( 391) = ( 0.3333333 0.3333333 0.2405063), wk = 0.0023148 k( 392) = ( 0.3333333 0.3333333 0.2468354), wk = 0.0023148 k( 393) = ( 0.3333333 0.3333333 0.2531646), wk = 0.0023148 k( 394) = ( 0.3333333 0.3333333 0.2594937), wk = 0.0023148 k( 395) = ( 0.3333333 0.3333333 0.2658228), wk = 0.0023148 k( 396) = ( 0.3333333 0.3333333 0.2721519), wk = 0.0023148 k( 397) = ( 0.3333333 0.3333333 0.2784810), wk = 0.0023148 k( 398) = ( 0.3333333 0.3333333 0.2848101), wk = 0.0023148 k( 399) = ( 0.3333333 0.3333333 0.2911392), wk = 0.0023148 k( 400) = ( 0.3333333 0.3333333 0.2974683), wk = 0.0023148 k( 401) = ( 0.3333333 0.3333333 0.3037975), wk = 0.0023148 k( 402) = ( 0.3333333 0.3333333 0.3101266), wk = 0.0023148 k( 403) = ( 0.3333333 0.3333333 0.3164557), wk = 0.0023148 k( 404) = ( 0.3333333 0.3333333 0.3227848), wk = 0.0023148 k( 405) = ( 0.3333333 0.3333333 0.3291139), wk = 0.0023148 k( 406) = ( 0.3333333 0.3333333 0.3354430), wk = 0.0023148 k( 407) = ( 0.3333333 0.3333333 0.3417721), wk = 0.0023148 k( 408) = ( 0.3333333 0.3333333 0.3481013), wk = 0.0023148 k( 409) = ( 0.3333333 0.3333333 0.3544304), wk = 0.0023148 k( 410) = ( 0.3333333 0.3333333 0.3607595), wk = 0.0023148 k( 411) = ( 0.3333333 0.3333333 0.3670886), wk = 0.0023148 k( 412) = ( 0.3333333 0.3333333 0.3734177), wk = 0.0023148 k( 413) = ( 0.3333333 0.3333333 0.3797468), wk = 0.0023148 k( 414) = ( 0.3333333 0.3333333 0.3860760), wk = 0.0023148 k( 415) = ( 0.3333333 0.3333333 0.3924051), wk = 0.0023148 k( 416) = ( 0.3333333 0.3333333 0.3987342), wk = 0.0023148 k( 417) = ( 0.3333333 0.3333333 0.4050633), wk = 0.0023148 k( 418) = ( 0.3333333 0.3333333 0.4113924), wk = 0.0023148 k( 419) = ( 0.3333333 0.3333333 0.4177215), wk = 0.0023148 k( 420) = ( 0.3333333 0.3333333 0.4240506), wk = 0.0023148 k( 421) = ( 0.3333333 0.3333333 0.4303798), wk = 0.0023148 k( 422) = ( 0.3333333 0.3333333 0.4367089), wk = 0.0023148 k( 423) = ( 0.3333333 0.3333333 0.4430380), wk = 0.0023148 k( 424) = ( 0.3333333 0.3333333 0.4493671), wk = 0.0023148 k( 425) = ( 0.3333333 0.3333333 0.4556962), wk = 0.0023148 k( 426) = ( 0.3333333 0.3333333 0.4620253), wk = 0.0023148 k( 427) = ( 0.3333333 0.3333333 0.4683544), wk = 0.0023148 k( 428) = ( 0.3333333 0.3333333 0.4746835), wk = 0.0023148 k( 429) = ( 0.3333333 0.3333333 0.4810127), wk = 0.0023148 k( 430) = ( 0.3333333 0.3333333 0.4873418), wk = 0.0023148 k( 431) = ( 0.3333333 0.3333333 0.4936709), wk = 0.0023148 k( 432) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0023148 Dense grid: 25387 G-vectors FFT dimensions: ( 54, 54, 20) Smooth grid: 12015 G-vectors FFT dimensions: ( 45, 45, 15) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 84, 18) NL pseudopotentials 0.02 Mb ( 42, 34) Each V/rho on FFT grid 0.04 Mb ( 2916) Each G-vector array 0.01 Mb ( 705) G-vector shells 0.00 Mb ( 307) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.09 Mb ( 84, 72) Each subspace H/S matrix 0.00 Mb ( 18, 18) Each matrix 0.02 Mb ( 34, 2, 18) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./Sr.save/charge-density.dat Starting wfc are 16 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.9 secs Computing kpt #: 2 total cpu time spent up to now is 5.1 secs Computing kpt #: 3 total cpu time spent up to now is 5.2 secs Computing kpt #: 4 total cpu time spent up to now is 5.3 secs Computing kpt #: 5 total cpu time spent up to now is 5.4 secs Computing kpt #: 6 total cpu time spent up to now is 5.5 secs Computing kpt #: 7 total cpu time spent up to now is 5.6 secs Computing kpt #: 8 total cpu time spent up to now is 5.7 secs Computing kpt #: 9 total cpu time spent up to now is 5.8 secs Computing kpt #: 10 total cpu time spent up to now is 5.9 secs Computing kpt #: 11 total cpu time spent up to now is 6.0 secs Computing kpt #: 12 total cpu time spent up to now is 6.1 secs Computing kpt #: 13 total cpu time spent up to now is 6.2 secs Computing kpt #: 14 total cpu time spent up to now is 6.3 secs Computing kpt #: 15 total cpu time spent up to now is 6.4 secs Computing kpt #: 16 total cpu time spent up to now is 6.5 secs Computing kpt #: 17 total cpu time spent up to now is 6.6 secs Computing kpt #: 18 total cpu time spent up to now is 6.7 secs Computing kpt #: 19 total cpu time spent up to now is 6.7 secs Computing kpt #: 20 total cpu time spent up to now is 6.8 secs Computing kpt #: 21 total cpu time spent up to now is 6.9 secs Computing kpt #: 22 total cpu time spent up to now is 7.0 secs Computing kpt #: 23 total cpu time spent up to now is 7.1 secs Computing kpt #: 24 total cpu time spent up to now is 7.2 secs Computing kpt #: 25 total cpu time spent up to now is 7.2 secs Computing kpt #: 26 total cpu time spent up to now is 7.3 secs Computing kpt #: 27 total cpu time spent up to now is 7.4 secs Computing kpt #: 28 total cpu time spent up to now is 7.5 secs Computing kpt #: 29 total cpu time spent up to now is 7.6 secs Computing kpt #: 30 total cpu time spent up to now is 7.7 secs Computing kpt #: 31 total cpu time spent up to now is 7.8 secs Computing kpt #: 32 total cpu time spent up to now is 7.9 secs Computing kpt #: 33 total cpu time spent up to now is 7.9 secs Computing kpt #: 34 total cpu time spent up to now is 8.0 secs Computing kpt #: 35 total cpu time spent up to now is 8.1 secs Computing kpt #: 36 total cpu time spent up to now is 8.2 secs Computing kpt #: 37 total cpu time spent up to now is 8.3 secs Computing kpt #: 38 total cpu time spent up to now is 8.4 secs Computing kpt #: 39 total cpu time spent up to now is 8.4 secs Computing kpt #: 40 total cpu time spent up to now is 8.5 secs Computing kpt #: 41 total cpu time spent up to now is 8.6 secs Computing kpt #: 42 total cpu time spent up to now is 8.7 secs Computing kpt #: 43 total cpu time spent up to now is 8.8 secs Computing kpt #: 44 total cpu time spent up to now is 8.8 secs Computing kpt #: 45 total cpu time spent up to now is 8.9 secs Computing kpt #: 46 total cpu time spent up to now is 9.0 secs Computing kpt #: 47 total cpu time spent up to now is 9.1 secs Computing kpt #: 48 total cpu time spent up to now is 9.1 secs Computing kpt #: 49 total cpu time spent up to now is 9.2 secs Computing kpt #: 50 total cpu time spent up to now is 9.3 secs Computing kpt #: 51 total cpu time spent up to now is 9.3 secs Computing kpt #: 52 total cpu time spent up to now is 9.4 secs Computing kpt #: 53 total cpu time spent up to now is 9.5 secs Computing kpt #: 54 total cpu time spent up to now is 9.5 secs Computing kpt #: 55 total cpu time spent up to now is 9.6 secs Computing kpt #: 56 total cpu time spent up to now is 9.7 secs Computing kpt #: 57 total cpu time spent up to now is 9.8 secs Computing kpt #: 58 total cpu time spent up to now is 9.9 secs Computing kpt #: 59 total cpu time spent up to now is 10.0 secs Computing kpt #: 60 total cpu time spent up to now is 10.0 secs Computing kpt #: 61 total cpu time spent up to now is 10.1 secs Computing kpt #: 62 total cpu time spent up to now is 10.2 secs Computing kpt #: 63 total cpu time spent up to now is 10.2 secs Computing kpt #: 64 total cpu time spent up to now is 10.3 secs Computing kpt #: 65 total cpu time spent up to now is 10.4 secs Computing kpt #: 66 total cpu time spent up to now is 10.4 secs Computing kpt #: 67 total cpu time spent up to now is 10.5 secs Computing kpt #: 68 total cpu time spent up to now is 10.6 secs Computing kpt #: 69 total cpu time spent up to now is 10.7 secs Computing kpt #: 70 total cpu time spent up to now is 10.7 secs Computing kpt #: 71 total cpu time spent up to now is 10.8 secs Computing kpt #: 72 total cpu time spent up to now is 10.9 secs Computing kpt #: 73 total cpu time spent up to now is 11.0 secs Computing kpt #: 74 total cpu time spent up to now is 11.0 secs Computing kpt #: 75 total cpu time spent up to now is 11.1 secs Computing kpt #: 76 total cpu time spent up to now is 11.2 secs Computing kpt #: 77 total cpu time spent up to now is 11.3 secs Computing kpt #: 78 total cpu time spent up to now is 11.4 secs Computing kpt #: 79 total cpu time spent up to now is 11.4 secs Computing kpt #: 80 total cpu time spent up to now is 11.5 secs Computing kpt #: 81 total cpu time spent up to now is 11.6 secs Computing kpt #: 82 total cpu time spent up to now is 11.7 secs Computing kpt #: 83 total cpu time spent up to now is 11.8 secs Computing kpt #: 84 total cpu time spent up to now is 11.9 secs Computing kpt #: 85 total cpu time spent up to now is 12.0 secs Computing kpt #: 86 total cpu time spent up to now is 12.1 secs Computing kpt #: 87 total cpu time spent up to now is 12.2 secs Computing kpt #: 88 total cpu time spent up to now is 12.3 secs Computing kpt #: 89 total cpu time spent up to now is 12.4 secs Computing kpt #: 90 total cpu time spent up to now is 12.5 secs Computing kpt #: 91 total cpu time spent up to now is 12.6 secs Computing kpt #: 92 total cpu time spent up to now is 12.7 secs Computing kpt #: 93 total cpu time spent up to now is 12.8 secs Computing kpt #: 94 total cpu time spent up to now is 12.9 secs Computing kpt #: 95 total cpu time spent up to now is 13.0 secs Computing kpt #: 96 total cpu time spent up to now is 13.1 secs Computing kpt #: 97 total cpu time spent up to now is 13.2 secs Computing kpt #: 98 total cpu time spent up to now is 13.3 secs Computing kpt #: 99 total cpu time spent up to now is 13.4 secs Computing kpt #: 100 total cpu time spent up to now is 13.5 secs Computing kpt #: 101 total cpu time spent up to now is 13.6 secs Computing kpt #: 102 total cpu time spent up to now is 13.7 secs Computing kpt #: 103 total cpu time spent up to now is 13.8 secs Computing kpt #: 104 total cpu time spent up to now is 13.9 secs Computing kpt #: 105 total cpu time spent up to now is 14.1 secs Computing kpt #: 106 total cpu time spent up to now is 14.2 secs Computing kpt #: 107 total cpu time spent up to now is 14.3 secs Computing kpt #: 108 total cpu time spent up to now is 14.4 secs Computing kpt #: 109 total cpu time spent up to now is 14.5 secs Computing kpt #: 110 total cpu time spent up to now is 14.6 secs Computing kpt #: 111 total cpu time spent up to now is 14.7 secs Computing kpt #: 112 total cpu time spent up to now is 14.8 secs Computing kpt #: 113 total cpu time spent up to now is 15.0 secs Computing kpt #: 114 total cpu time spent up to now is 15.1 secs Computing kpt #: 115 total cpu time spent up to now is 15.2 secs Computing kpt #: 116 total cpu time spent up to now is 15.3 secs Computing kpt #: 117 total cpu time spent up to now is 15.4 secs Computing kpt #: 118 total cpu time spent up to now is 15.5 secs Computing kpt #: 119 total cpu time spent up to now is 15.6 secs Computing kpt #: 120 total cpu time spent up to now is 15.7 secs Computing kpt #: 121 total cpu time spent up to now is 15.8 secs Computing kpt #: 122 total cpu time spent up to now is 15.9 secs Computing kpt #: 123 total cpu time spent up to now is 16.0 secs Computing kpt #: 124 total cpu time spent up to now is 16.1 secs Computing kpt #: 125 total cpu time spent up to now is 16.2 secs Computing kpt #: 126 total cpu time spent up to now is 16.3 secs Computing kpt #: 127 total cpu time spent up to now is 16.4 secs Computing kpt #: 128 total cpu time spent up to now is 16.5 secs Computing kpt #: 129 total cpu time spent up to now is 16.6 secs Computing kpt #: 130 total cpu time spent up to now is 16.7 secs Computing kpt #: 131 total cpu time spent up to now is 16.8 secs Computing kpt #: 132 total cpu time spent up to now is 16.8 secs Computing kpt #: 133 total cpu time spent up to now is 16.9 secs Computing kpt #: 134 total cpu time spent up to now is 17.0 secs Computing kpt #: 135 total cpu time spent up to now is 17.1 secs Computing kpt #: 136 total cpu time spent up to now is 17.2 secs Computing kpt #: 137 total cpu time spent up to now is 17.3 secs Computing kpt #: 138 total cpu time spent up to now is 17.4 secs Computing kpt #: 139 total cpu time spent up to now is 17.4 secs Computing kpt #: 140 total cpu time spent up to now is 17.5 secs Computing kpt #: 141 total cpu time spent up to now is 17.6 secs Computing kpt #: 142 total cpu time spent up to now is 17.7 secs Computing kpt #: 143 total cpu time spent up to now is 17.8 secs Computing kpt #: 144 total cpu time spent up to now is 17.9 secs Computing kpt #: 145 total cpu time spent up to now is 18.0 secs Computing kpt #: 146 total cpu time spent up to now is 18.1 secs Computing kpt #: 147 total cpu time spent up to now is 18.1 secs Computing kpt #: 148 total cpu time spent up to now is 18.2 secs Computing kpt #: 149 total cpu time spent up to now is 18.3 secs Computing kpt #: 150 total cpu time spent up to now is 18.4 secs Computing kpt #: 151 total cpu time spent up to now is 18.5 secs Computing kpt #: 152 total cpu time spent up to now is 18.6 secs Computing kpt #: 153 total cpu time spent up to now is 18.6 secs Computing kpt #: 154 total cpu time spent up to now is 18.7 secs Computing kpt #: 155 total cpu time spent up to now is 18.8 secs Computing kpt #: 156 total cpu time spent up to now is 18.9 secs Computing kpt #: 157 total cpu time spent up to now is 19.0 secs Computing kpt #: 158 total cpu time spent up to now is 19.1 secs Computing kpt #: 159 total cpu time spent up to now is 19.2 secs Computing kpt #: 160 total cpu time spent up to now is 19.2 secs Computing kpt #: 161 total cpu time spent up to now is 19.3 secs Computing kpt #: 162 total cpu time spent up to now is 19.4 secs Computing kpt #: 163 total cpu time spent up to now is 19.5 secs Computing kpt #: 164 total cpu time spent up to now is 19.6 secs Computing kpt #: 165 total cpu time spent up to now is 19.7 secs Computing kpt #: 166 total cpu time spent up to now is 19.8 secs Computing kpt #: 167 total cpu time spent up to now is 19.9 secs Computing kpt #: 168 total cpu time spent up to now is 20.0 secs Computing kpt #: 169 total cpu time spent up to now is 20.1 secs Computing kpt #: 170 total cpu time spent up to now is 20.2 secs Computing kpt #: 171 total cpu time spent up to now is 20.3 secs Computing kpt #: 172 total cpu time spent up to now is 20.4 secs Computing kpt #: 173 total cpu time spent up to now is 20.5 secs Computing kpt #: 174 total cpu time spent up to now is 20.6 secs Computing kpt #: 175 total cpu time spent up to now is 20.7 secs Computing kpt #: 176 total cpu time spent up to now is 20.8 secs Computing kpt #: 177 total cpu time spent up to now is 20.9 secs Computing kpt #: 178 total cpu time spent up to now is 21.0 secs Computing kpt #: 179 total cpu time spent up to now is 21.1 secs Computing kpt #: 180 total cpu time spent up to now is 21.2 secs Computing kpt #: 181 total cpu time spent up to now is 21.3 secs Computing kpt #: 182 total cpu time spent up to now is 21.4 secs Computing kpt #: 183 total cpu time spent up to now is 21.5 secs Computing kpt #: 184 total cpu time spent up to now is 21.6 secs Computing kpt #: 185 total cpu time spent up to now is 21.7 secs Computing kpt #: 186 total cpu time spent up to now is 21.8 secs Computing kpt #: 187 total cpu time spent up to now is 21.9 secs Computing kpt #: 188 total cpu time spent up to now is 22.0 secs Computing kpt #: 189 total cpu time spent up to now is 22.1 secs Computing kpt #: 190 total cpu time spent up to now is 22.2 secs Computing kpt #: 191 total cpu time spent up to now is 22.3 secs Computing kpt #: 192 total cpu time spent up to now is 22.4 secs Computing kpt #: 193 total cpu time spent up to now is 22.5 secs Computing kpt #: 194 total cpu time spent up to now is 22.6 secs Computing kpt #: 195 total cpu time spent up to now is 22.7 secs Computing kpt #: 196 total cpu time spent up to now is 22.8 secs Computing kpt #: 197 total cpu time spent up to now is 22.9 secs Computing kpt #: 198 total cpu time spent up to now is 23.0 secs Computing kpt #: 199 total cpu time spent up to now is 23.1 secs Computing kpt #: 200 total cpu time spent up to now is 23.2 secs Computing kpt #: 201 total cpu time spent up to now is 23.4 secs Computing kpt #: 202 total cpu time spent up to now is 23.5 secs Computing kpt #: 203 total cpu time spent up to now is 23.6 secs Computing kpt #: 204 total cpu time spent up to now is 23.7 secs Computing kpt #: 205 total cpu time spent up to now is 23.8 secs Computing kpt #: 206 total cpu time spent up to now is 23.9 secs Computing kpt #: 207 total cpu time spent up to now is 24.0 secs Computing kpt #: 208 total cpu time spent up to now is 24.2 secs Computing kpt #: 209 total cpu time spent up to now is 24.3 secs Computing kpt #: 210 total cpu time spent up to now is 24.4 secs Computing kpt #: 211 total cpu time spent up to now is 24.5 secs Computing kpt #: 212 total cpu time spent up to now is 24.7 secs Computing kpt #: 213 total cpu time spent up to now is 24.8 secs Computing kpt #: 214 total cpu time spent up to now is 24.9 secs Computing kpt #: 215 total cpu time spent up to now is 25.0 secs Computing kpt #: 216 total cpu time spent up to now is 25.1 secs Computing kpt #: 217 total cpu time spent up to now is 25.3 secs Computing kpt #: 218 total cpu time spent up to now is 25.4 secs Computing kpt #: 219 total cpu time spent up to now is 25.5 secs Computing kpt #: 220 total cpu time spent up to now is 25.6 secs Computing kpt #: 221 total cpu time spent up to now is 25.7 secs Computing kpt #: 222 total cpu time spent up to now is 25.8 secs Computing kpt #: 223 total cpu time spent up to now is 25.9 secs Computing kpt #: 224 total cpu time spent up to now is 26.1 secs Computing kpt #: 225 total cpu time spent up to now is 26.2 secs Computing kpt #: 226 total cpu time spent up to now is 26.3 secs Computing kpt #: 227 total cpu time spent up to now is 26.4 secs Computing kpt #: 228 total cpu time spent up to now is 26.6 secs Computing kpt #: 229 total cpu time spent up to now is 26.7 secs Computing kpt #: 230 total cpu time spent up to now is 26.8 secs Computing kpt #: 231 total cpu time spent up to now is 26.9 secs Computing kpt #: 232 total cpu time spent up to now is 27.0 secs Computing kpt #: 233 total cpu time spent up to now is 27.1 secs Computing kpt #: 234 total cpu time spent up to now is 27.3 secs Computing kpt #: 235 total cpu time spent up to now is 27.4 secs Computing kpt #: 236 total cpu time spent up to now is 27.5 secs Computing kpt #: 237 total cpu time spent up to now is 27.6 secs Computing kpt #: 238 total cpu time spent up to now is 27.7 secs Computing kpt #: 239 total cpu time spent up to now is 27.8 secs Computing kpt #: 240 total cpu time spent up to now is 27.9 secs Computing kpt #: 241 total cpu time spent up to now is 28.1 secs Computing kpt #: 242 total cpu time spent up to now is 28.2 secs Computing kpt #: 243 total cpu time spent up to now is 28.3 secs Computing kpt #: 244 total cpu time spent up to now is 28.4 secs Computing kpt #: 245 total cpu time spent up to now is 28.5 secs Computing kpt #: 246 total cpu time spent up to now is 28.6 secs Computing kpt #: 247 total cpu time spent up to now is 28.7 secs Computing kpt #: 248 total cpu time spent up to now is 28.9 secs Computing kpt #: 249 total cpu time spent up to now is 29.0 secs Computing kpt #: 250 total cpu time spent up to now is 29.1 secs Computing kpt #: 251 total cpu time spent up to now is 29.2 secs Computing kpt #: 252 total cpu time spent up to now is 29.3 secs Computing kpt #: 253 total cpu time spent up to now is 29.5 secs Computing kpt #: 254 total cpu time spent up to now is 29.6 secs Computing kpt #: 255 total cpu time spent up to now is 29.7 secs Computing kpt #: 256 total cpu time spent up to now is 29.8 secs Computing kpt #: 257 total cpu time spent up to now is 30.0 secs Computing kpt #: 258 total cpu time spent up to now is 30.1 secs Computing kpt #: 259 total cpu time spent up to now is 30.2 secs Computing kpt #: 260 total cpu time spent up to now is 30.4 secs Computing kpt #: 261 total cpu time spent up to now is 30.4 secs Computing kpt #: 262 total cpu time spent up to now is 30.6 secs Computing kpt #: 263 total cpu time spent up to now is 30.7 secs Computing kpt #: 264 total cpu time spent up to now is 30.8 secs Computing kpt #: 265 total cpu time spent up to now is 30.9 secs Computing kpt #: 266 total cpu time spent up to now is 31.0 secs Computing kpt #: 267 total cpu time spent up to now is 31.1 secs Computing kpt #: 268 total cpu time spent up to now is 31.2 secs Computing kpt #: 269 total cpu time spent up to now is 31.3 secs Computing kpt #: 270 total cpu time spent up to now is 31.4 secs Computing kpt #: 271 total cpu time spent up to now is 31.5 secs Computing kpt #: 272 total cpu time spent up to now is 31.6 secs Computing kpt #: 273 total cpu time spent up to now is 31.7 secs Computing kpt #: 274 total cpu time spent up to now is 31.9 secs Computing kpt #: 275 total cpu time spent up to now is 32.0 secs Computing kpt #: 276 total cpu time spent up to now is 32.1 secs Computing kpt #: 277 total cpu time spent up to now is 32.2 secs Computing kpt #: 278 total cpu time spent up to now is 32.3 secs Computing kpt #: 279 total cpu time spent up to now is 32.4 secs Computing kpt #: 280 total cpu time spent up to now is 32.5 secs Computing kpt #: 281 total cpu time spent up to now is 32.6 secs Computing kpt #: 282 total cpu time spent up to now is 32.7 secs Computing kpt #: 283 total cpu time spent up to now is 32.8 secs Computing kpt #: 284 total cpu time spent up to now is 32.9 secs Computing kpt #: 285 total cpu time spent up to now is 33.0 secs Computing kpt #: 286 total cpu time spent up to now is 33.1 secs Computing kpt #: 287 total cpu time spent up to now is 33.2 secs Computing kpt #: 288 total cpu time spent up to now is 33.3 secs Computing kpt #: 289 total cpu time spent up to now is 33.4 secs Computing kpt #: 290 total cpu time spent up to now is 33.5 secs Computing kpt #: 291 total cpu time spent up to now is 33.6 secs Computing kpt #: 292 total cpu time spent up to now is 33.7 secs Computing kpt #: 293 total cpu time spent up to now is 33.8 secs Computing kpt #: 294 total cpu time spent up to now is 33.9 secs Computing kpt #: 295 total cpu time spent up to now is 34.0 secs Computing kpt #: 296 total cpu time spent up to now is 34.0 secs Computing kpt #: 297 total cpu time spent up to now is 34.1 secs Computing kpt #: 298 total cpu time spent up to now is 34.2 secs Computing kpt #: 299 total cpu time spent up to now is 34.3 secs Computing kpt #: 300 total cpu time spent up to now is 34.4 secs Computing kpt #: 301 total cpu time spent up to now is 34.5 secs Computing kpt #: 302 total cpu time spent up to now is 34.6 secs Computing kpt #: 303 total cpu time spent up to now is 34.7 secs Computing kpt #: 304 total cpu time spent up to now is 34.8 secs Computing kpt #: 305 total cpu time spent up to now is 34.9 secs Computing kpt #: 306 total cpu time spent up to now is 35.0 secs Computing kpt #: 307 total cpu time spent up to now is 35.1 secs Computing kpt #: 308 total cpu time spent up to now is 35.2 secs Computing kpt #: 309 total cpu time spent up to now is 35.3 secs Computing kpt #: 310 total cpu time spent up to now is 35.4 secs Computing kpt #: 311 total cpu time spent up to now is 35.5 secs Computing kpt #: 312 total cpu time spent up to now is 35.6 secs Computing kpt #: 313 total cpu time spent up to now is 35.7 secs Computing kpt #: 314 total cpu time spent up to now is 35.8 secs Computing kpt #: 315 total cpu time spent up to now is 35.9 secs Computing kpt #: 316 total cpu time spent up to now is 35.9 secs Computing kpt #: 317 total cpu time spent up to now is 36.0 secs Computing kpt #: 318 total cpu time spent up to now is 36.1 secs Computing kpt #: 319 total cpu time spent up to now is 36.2 secs Computing kpt #: 320 total cpu time spent up to now is 36.3 secs Computing kpt #: 321 total cpu time spent up to now is 36.4 secs Computing kpt #: 322 total cpu time spent up to now is 36.5 secs Computing kpt #: 323 total cpu time spent up to now is 36.5 secs Computing kpt #: 324 total cpu time spent up to now is 36.6 secs Computing kpt #: 325 total cpu time spent up to now is 36.7 secs Computing kpt #: 326 total cpu time spent up to now is 36.8 secs Computing kpt #: 327 total cpu time spent up to now is 36.9 secs Computing kpt #: 328 total cpu time spent up to now is 37.0 secs Computing kpt #: 329 total cpu time spent up to now is 37.0 secs Computing kpt #: 330 total cpu time spent up to now is 37.1 secs Computing kpt #: 331 total cpu time spent up to now is 37.2 secs Computing kpt #: 332 total cpu time spent up to now is 37.3 secs Computing kpt #: 333 total cpu time spent up to now is 37.4 secs Computing kpt #: 334 total cpu time spent up to now is 37.4 secs Computing kpt #: 335 total cpu time spent up to now is 37.5 secs Computing kpt #: 336 total cpu time spent up to now is 37.6 secs Computing kpt #: 337 total cpu time spent up to now is 37.7 secs Computing kpt #: 338 total cpu time spent up to now is 37.7 secs Computing kpt #: 339 total cpu time spent up to now is 37.8 secs Computing kpt #: 340 total cpu time spent up to now is 37.9 secs Computing kpt #: 341 total cpu time spent up to now is 38.0 secs Computing kpt #: 342 total cpu time spent up to now is 38.1 secs Computing kpt #: 343 total cpu time spent up to now is 38.2 secs Computing kpt #: 344 total cpu time spent up to now is 38.2 secs Computing kpt #: 345 total cpu time spent up to now is 38.3 secs Computing kpt #: 346 total cpu time spent up to now is 38.4 secs Computing kpt #: 347 total cpu time spent up to now is 38.5 secs Computing kpt #: 348 total cpu time spent up to now is 38.6 secs Computing kpt #: 349 total cpu time spent up to now is 38.7 secs Computing kpt #: 350 total cpu time spent up to now is 38.8 secs Computing kpt #: 351 total cpu time spent up to now is 38.8 secs Computing kpt #: 352 total cpu time spent up to now is 38.9 secs Computing kpt #: 353 total cpu time spent up to now is 39.0 secs Computing kpt #: 354 total cpu time spent up to now is 39.0 secs Computing kpt #: 355 total cpu time spent up to now is 39.1 secs Computing kpt #: 356 total cpu time spent up to now is 39.2 secs Computing kpt #: 357 total cpu time spent up to now is 39.2 secs Computing kpt #: 358 total cpu time spent up to now is 39.3 secs Computing kpt #: 359 total cpu time spent up to now is 39.4 secs Computing kpt #: 360 total cpu time spent up to now is 39.4 secs Computing kpt #: 361 total cpu time spent up to now is 39.5 secs Computing kpt #: 362 total cpu time spent up to now is 39.6 secs Computing kpt #: 363 total cpu time spent up to now is 39.6 secs Computing kpt #: 364 total cpu time spent up to now is 39.7 secs Computing kpt #: 365 total cpu time spent up to now is 39.8 secs Computing kpt #: 366 total cpu time spent up to now is 39.9 secs Computing kpt #: 367 total cpu time spent up to now is 39.9 secs Computing kpt #: 368 total cpu time spent up to now is 40.0 secs Computing kpt #: 369 total cpu time spent up to now is 40.1 secs Computing kpt #: 370 total cpu time spent up to now is 40.1 secs Computing kpt #: 371 total cpu time spent up to now is 40.2 secs Computing kpt #: 372 total cpu time spent up to now is 40.3 secs Computing kpt #: 373 total cpu time spent up to now is 40.4 secs Computing kpt #: 374 total cpu time spent up to now is 40.4 secs Computing kpt #: 375 total cpu time spent up to now is 40.5 secs Computing kpt #: 376 total cpu time spent up to now is 40.6 secs Computing kpt #: 377 total cpu time spent up to now is 40.7 secs Computing kpt #: 378 total cpu time spent up to now is 40.7 secs Computing kpt #: 379 total cpu time spent up to now is 40.8 secs Computing kpt #: 380 total cpu time spent up to now is 40.9 secs Computing kpt #: 381 total cpu time spent up to now is 40.9 secs Computing kpt #: 382 total cpu time spent up to now is 41.0 secs Computing kpt #: 383 total cpu time spent up to now is 41.1 secs Computing kpt #: 384 total cpu time spent up to now is 41.2 secs Computing kpt #: 385 total cpu time spent up to now is 41.2 secs Computing kpt #: 386 total cpu time spent up to now is 41.3 secs Computing kpt #: 387 total cpu time spent up to now is 41.4 secs Computing kpt #: 388 total cpu time spent up to now is 41.5 secs Computing kpt #: 389 total cpu time spent up to now is 41.5 secs Computing kpt #: 390 total cpu time spent up to now is 41.6 secs Computing kpt #: 391 total cpu time spent up to now is 41.7 secs Computing kpt #: 392 total cpu time spent up to now is 41.8 secs Computing kpt #: 393 total cpu time spent up to now is 41.9 secs Computing kpt #: 394 total cpu time spent up to now is 42.0 secs Computing kpt #: 395 total cpu time spent up to now is 42.1 secs Computing kpt #: 396 total cpu time spent up to now is 42.2 secs Computing kpt #: 397 total cpu time spent up to now is 42.3 secs Computing kpt #: 398 total cpu time spent up to now is 42.3 secs Computing kpt #: 399 total cpu time spent up to now is 42.4 secs Computing kpt #: 400 total cpu time spent up to now is 42.5 secs Computing kpt #: 401 total cpu time spent up to now is 42.6 secs Computing kpt #: 402 total cpu time spent up to now is 42.7 secs Computing kpt #: 403 total cpu time spent up to now is 42.8 secs Computing kpt #: 404 total cpu time spent up to now is 42.9 secs Computing kpt #: 405 total cpu time spent up to now is 42.9 secs Computing kpt #: 406 total cpu time spent up to now is 43.0 secs Computing kpt #: 407 total cpu time spent up to now is 43.1 secs Computing kpt #: 408 total cpu time spent up to now is 43.2 secs Computing kpt #: 409 total cpu time spent up to now is 43.3 secs Computing kpt #: 410 total cpu time spent up to now is 43.3 secs Computing kpt #: 411 total cpu time spent up to now is 43.4 secs Computing kpt #: 412 total cpu time spent up to now is 43.5 secs Computing kpt #: 413 total cpu time spent up to now is 43.6 secs Computing kpt #: 414 total cpu time spent up to now is 43.6 secs Computing kpt #: 415 total cpu time spent up to now is 43.7 secs Computing kpt #: 416 total cpu time spent up to now is 43.8 secs Computing kpt #: 417 total cpu time spent up to now is 43.9 secs Computing kpt #: 418 total cpu time spent up to now is 44.0 secs Computing kpt #: 419 total cpu time spent up to now is 44.1 secs Computing kpt #: 420 total cpu time spent up to now is 44.2 secs Computing kpt #: 421 total cpu time spent up to now is 44.3 secs Computing kpt #: 422 total cpu time spent up to now is 44.3 secs Computing kpt #: 423 total cpu time spent up to now is 44.4 secs Computing kpt #: 424 total cpu time spent up to now is 44.5 secs Computing kpt #: 425 total cpu time spent up to now is 44.6 secs Computing kpt #: 426 total cpu time spent up to now is 44.9 secs Computing kpt #: 427 total cpu time spent up to now is 45.0 secs Computing kpt #: 428 total cpu time spent up to now is 45.1 secs Computing kpt #: 429 total cpu time spent up to now is 45.2 secs Computing kpt #: 430 total cpu time spent up to now is 45.3 secs Computing kpt #: 431 total cpu time spent up to now is 45.4 secs Computing kpt #: 432 total cpu time spent up to now is 45.5 secs ethr = 1.00E-07, avg # of iterations = 17.0 total cpu time spent up to now is 45.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1507 PWs) bands (ev): -34.3349 -34.3349 -15.6187 -15.6187 -14.9234 -14.9234 -3.4019 -3.4019 1.6446 1.6446 4.9241 4.9241 4.9555 4.9555 8.1324 8.1324 9.1045 9.1045 k = 0.0147 0.0085-0.0000 ( 1499 PWs) bands (ev): -34.3349 -34.3349 -15.6187 -15.6187 -14.9234 -14.9234 -3.4019 -3.4019 1.6464 1.6464 4.9238 4.9238 4.9554 4.9554 8.1269 8.1269 9.1085 9.1085 k = 0.0294 0.0170-0.0000 ( 1499 PWs) bands (ev): -34.3349 -34.3349 -15.6187 -15.6187 -14.9235 -14.9235 -3.4019 -3.4019 1.6518 1.6518 4.9222 4.9222 4.9560 4.9560 8.1105 8.1105 9.1203 9.1203 k = 0.0441 0.0255-0.0000 ( 1502 PWs) bands (ev): -34.3349 -34.3349 -15.6188 -15.6188 -14.9236 -14.9236 -3.4019 -3.4019 1.6609 1.6609 4.9172 4.9172 4.9593 4.9593 8.0830 8.0830 9.1395 9.1395 k = 0.0588 0.0340-0.0000 ( 1506 PWs) bands (ev): -34.3349 -34.3349 -15.6189 -15.6189 -14.9237 -14.9237 -3.4019 -3.4019 1.6736 1.6736 4.9078 4.9078 4.9666 4.9666 8.0445 8.0445 9.1656 9.1656 k = 0.0735 0.0425-0.0000 ( 1502 PWs) bands (ev): -34.3348 -34.3348 -15.6190 -15.6190 -14.9238 -14.9238 -3.4020 -3.4020 1.6898 1.6898 4.8944 4.8944 4.9775 4.9775 7.9948 7.9948 9.1975 9.1975 k = 0.0882 0.0509-0.0000 ( 1500 PWs) bands (ev): -34.3348 -34.3348 -15.6191 -15.6191 -14.9240 -14.9240 -3.4020 -3.4020 1.7096 1.7096 4.8776 4.8776 4.9918 4.9918 7.9342 7.9342 9.2338 9.2338 k = 0.1029 0.0594-0.0000 ( 1500 PWs) bands (ev): -34.3348 -34.3348 -15.6193 -15.6193 -14.9242 -14.9242 -3.4020 -3.4020 1.7329 1.7329 4.8580 4.8580 5.0091 5.0091 7.8627 7.8627 9.2725 9.2725 k = 0.1176 0.0679-0.0000 ( 1500 PWs) bands (ev): -34.3348 -34.3348 -15.6195 -15.6195 -14.9244 -14.9244 -3.4020 -3.4020 1.7597 1.7597 4.8361 4.8361 5.0292 5.0292 7.7808 7.7808 9.3107 9.3107 k = 0.1324 0.0764-0.0000 ( 1502 PWs) bands (ev): -34.3348 -34.3348 -15.6197 -15.6197 -14.9246 -14.9246 -3.4020 -3.4020 1.7900 1.7900 4.8122 4.8122 5.0520 5.0520 7.6891 7.6891 9.3445 9.3445 k = 0.1471 0.0849-0.0000 ( 1502 PWs) bands (ev): -34.3348 -34.3348 -15.6199 -15.6199 -14.9249 -14.9249 -3.4020 -3.4020 1.8236 1.8236 4.7868 4.7868 5.0774 5.0774 7.5883 7.5883 9.3697 9.3697 k = 0.1618 0.0934-0.0000 ( 1504 PWs) bands (ev): -34.3348 -34.3348 -15.6201 -15.6201 -14.9252 -14.9252 -3.4021 -3.4021 1.8605 1.8605 4.7601 4.7601 5.1053 5.1053 7.4795 7.4795 9.3822 9.3822 k = 0.1765 0.1019-0.0000 ( 1508 PWs) bands (ev): -34.3348 -34.3348 -15.6204 -15.6204 -14.9255 -14.9255 -3.4021 -3.4021 1.9006 1.9006 4.7326 4.7326 5.1357 5.1357 7.3636 7.3636 9.3754 9.3754 k = 0.1912 0.1104-0.0000 ( 1504 PWs) bands (ev): -34.3348 -34.3348 -15.6206 -15.6206 -14.9258 -14.9258 -3.4021 -3.4021 1.9439 1.9439 4.7046 4.7046 5.1685 5.1685 7.2418 7.2418 9.3246 9.3246 k = 0.2059 0.1189-0.0000 ( 1504 PWs) bands (ev): -34.3348 -34.3348 -15.6209 -15.6209 -14.9261 -14.9261 -3.4021 -3.4021 1.9902 1.9902 4.6763 4.6763 5.2035 5.2035 7.1152 7.1152 9.2415 9.2415 k = 0.2206 0.1274-0.0000 ( 1504 PWs) bands (ev): -34.3348 -34.3348 -15.6212 -15.6212 -14.9264 -14.9264 -3.4022 -3.4022 2.0393 2.0393 4.6483 4.6483 5.2406 5.2406 6.9847 6.9847 9.1503 9.1503 k = 0.2353 0.1358-0.0000 ( 1504 PWs) bands (ev): -34.3348 -34.3348 -15.6215 -15.6215 -14.9268 -14.9268 -3.4022 -3.4022 2.0912 2.0912 4.6206 4.6206 5.2797 5.2797 6.8515 6.8515 9.0562 9.0562 k = 0.2500 0.1443-0.0000 ( 1504 PWs) bands (ev): -34.3348 -34.3348 -15.6218 -15.6218 -14.9271 -14.9271 -3.4022 -3.4022 2.1456 2.1456 4.5936 4.5936 5.3206 5.3206 6.7164 6.7164 8.9608 8.9608 k = 0.2647 0.1528-0.0000 ( 1504 PWs) bands (ev): -34.3348 -34.3348 -15.6221 -15.6221 -14.9274 -14.9274 -3.4023 -3.4023 2.2024 2.2024 4.5677 4.5677 5.3633 5.3633 6.5804 6.5804 8.8649 8.8649 k = 0.2794 0.1613-0.0000 ( 1504 PWs) bands (ev): -34.3348 -34.3348 -15.6223 -15.6223 -14.9278 -14.9278 -3.4023 -3.4023 2.2613 2.2613 4.5430 4.5430 5.4073 5.4073 6.4442 6.4442 8.7692 8.7692 k = 0.2941 0.1698-0.0000 ( 1506 PWs) bands (ev): -34.3347 -34.3347 -15.6226 -15.6226 -14.9281 -14.9281 -3.4023 -3.4023 2.3220 2.3220 4.5198 4.5198 5.4526 5.4526 6.3086 6.3086 8.6744 8.6744 k = 0.3088 0.1783-0.0000 ( 1502 PWs) bands (ev): -34.3347 -34.3347 -15.6229 -15.6229 -14.9284 -14.9284 -3.4023 -3.4023 2.3842 2.3842 4.4984 4.4984 5.4988 5.4988 6.1743 6.1743 8.5810 8.5810 k = 0.3235 0.1868-0.0000 ( 1504 PWs) bands (ev): -34.3347 -34.3347 -15.6231 -15.6231 -14.9287 -14.9287 -3.4024 -3.4024 2.4473 2.4473 4.4790 4.4790 5.5456 5.5456 6.0420 6.0420 8.4896 8.4896 k = 0.3382 0.1953-0.0000 ( 1500 PWs) bands (ev): -34.3347 -34.3347 -15.6234 -15.6234 -14.9290 -14.9290 -3.4024 -3.4024 2.5111 2.5111 4.4619 4.4619 5.5926 5.5926 5.9125 5.9125 8.4009 8.4009 k = 0.3529 0.2038-0.0000 ( 1498 PWs) bands (ev): -34.3347 -34.3347 -15.6236 -15.6236 -14.9293 -14.9293 -3.4024 -3.4024 2.5748 2.5748 4.4474 4.4474 5.6394 5.6394 5.7865 5.7865 8.3155 8.3155 k = 0.3676 0.2123-0.0000 ( 1498 PWs) bands (ev): -34.3347 -34.3347 -15.6238 -15.6238 -14.9296 -14.9296 -3.4024 -3.4024 2.6377 2.6377 4.4357 4.4357 5.6639 5.6639 5.6863 5.6863 8.2340 8.2340 k = 0.3824 0.2208-0.0000 ( 1498 PWs) bands (ev): -34.3347 -34.3347 -15.6241 -15.6241 -14.9298 -14.9298 -3.4024 -3.4024 2.6991 2.6991 4.4272 4.4272 5.5480 5.5480 5.7302 5.7302 8.1574 8.1574 k = 0.3971 0.2292-0.0000 ( 1496 PWs) bands (ev): -34.3347 -34.3347 -15.6242 -15.6242 -14.9300 -14.9300 -3.4025 -3.4025 2.7578 2.7578 4.4219 4.4219 5.4377 5.4377 5.7727 5.7727 8.0863 8.0863 k = 0.4118 0.2377-0.0000 ( 1488 PWs) bands (ev): -34.3347 -34.3347 -15.6244 -15.6244 -14.9302 -14.9302 -3.4025 -3.4025 2.8129 2.8129 4.4201 4.4201 5.3348 5.3348 5.8123 5.8123 8.0217 8.0217 k = 0.4265 0.2462-0.0000 ( 1490 PWs) bands (ev): -34.3347 -34.3347 -15.6245 -15.6245 -14.9304 -14.9304 -3.4025 -3.4025 2.8629 2.8629 4.4216 4.4216 5.2409 5.2409 5.8481 5.8481 7.9646 7.9646 k = 0.4412 0.2547-0.0000 ( 1488 PWs) bands (ev): -34.3347 -34.3347 -15.6246 -15.6246 -14.9305 -14.9305 -3.4025 -3.4025 2.9065 2.9065 4.4262 4.4262 5.1579 5.1579 5.8792 5.8792 7.9160 7.9160 k = 0.4559 0.2632-0.0000 ( 1494 PWs) bands (ev): -34.3347 -34.3347 -15.6247 -15.6247 -14.9306 -14.9306 -3.4025 -3.4025 2.9424 2.9424 4.4328 4.4328 5.0882 5.0882 5.9047 5.9047 7.8769 7.8769 k = 0.4706 0.2717-0.0000 ( 1494 PWs) bands (ev): -34.3347 -34.3347 -15.6248 -15.6248 -14.9307 -14.9307 -3.4025 -3.4025 2.9691 2.9691 4.4401 4.4401 5.0347 5.0347 5.9236 5.9236 7.8482 7.8482 k = 0.4853 0.2802-0.0000 ( 1494 PWs) bands (ev): -34.3347 -34.3347 -15.6248 -15.6248 -14.9307 -14.9307 -3.4025 -3.4025 2.9857 2.9857 4.4458 4.4458 5.0007 5.0007 5.9353 5.9353 7.8306 7.8306 k = 0.5000 0.2887-0.0000 ( 1488 PWs) bands (ev): -34.3347 -34.3347 -15.6249 -15.6249 -14.9307 -14.9307 -3.4025 -3.4025 2.9913 2.9913 4.4480 4.4480 4.9890 4.9890 5.9392 5.9392 7.8247 7.8247 k = 0.5000 0.2887-0.0000 ( 1488 PWs) bands (ev): -34.3347 -34.3347 -15.6249 -15.6249 -14.9307 -14.9307 -3.4025 -3.4025 2.9913 2.9913 4.4480 4.4480 4.9890 4.9890 5.9392 5.9392 7.8247 7.8247 k = 0.4917 0.3031-0.0000 ( 1488 PWs) bands (ev): -34.3347 -34.3347 -15.6249 -15.6249 -14.9307 -14.9307 -3.4025 -3.4025 2.9934 2.9934 4.4470 4.4470 4.9861 4.9861 5.9420 5.9420 7.8207 7.8207 k = 0.4833 0.3175-0.0000 ( 1486 PWs) bands (ev): -34.3347 -34.3347 -15.6249 -15.6249 -14.9308 -14.9308 -3.4025 -3.4025 2.9998 2.9998 4.4440 4.4440 4.9775 4.9775 5.9502 5.9502 7.8087 7.8087 k = 0.4750 0.3320-0.0000 ( 1488 PWs) bands (ev): -34.3347 -34.3347 -15.6249 -15.6249 -14.9308 -14.9308 -3.4025 -3.4025 3.0104 3.0104 4.4390 4.4390 4.9632 4.9632 5.9639 5.9639 7.7891 7.7891 k = 0.4667 0.3464-0.0000 ( 1492 PWs) bands (ev): -34.3347 -34.3347 -15.6249 -15.6249 -14.9308 -14.9308 -3.4025 -3.4025 3.0253 3.0253 4.4322 4.4322 4.9433 4.9433 5.9828 5.9828 7.7623 7.7623 k = 0.4583 0.3608-0.0000 ( 1496 PWs) bands (ev): -34.3347 -34.3347 -15.6250 -15.6250 -14.9309 -14.9309 -3.4025 -3.4025 3.0443 3.0443 4.4238 4.4238 4.9181 4.9181 6.0067 6.0067 7.7290 7.7290 k = 0.4500 0.3753-0.0000 ( 1500 PWs) bands (ev): -34.3347 -34.3347 -15.6250 -15.6250 -14.9309 -14.9309 -3.4025 -3.4025 3.0674 3.0674 4.4142 4.4142 4.8876 4.8876 6.0354 6.0354 7.6897 7.6897 k = 0.4417 0.3897-0.0000 ( 1500 PWs) bands (ev): -34.3347 -34.3347 -15.6250 -15.6250 -14.9310 -14.9310 -3.4025 -3.4025 3.0945 3.0945 4.4034 4.4034 4.8523 4.8523 6.0687 6.0687 7.6452 7.6452 k = 0.4333 0.4041-0.0000 ( 1502 PWs) bands (ev): -34.3347 -34.3347 -15.6251 -15.6251 -14.9310 -14.9310 -3.4025 -3.4025 3.1256 3.1256 4.3917 4.3917 4.8123 4.8123 6.1063 6.1063 7.5961 7.5961 k = 0.4250 0.4186-0.0000 ( 1504 PWs) bands (ev): -34.3347 -34.3347 -15.6251 -15.6251 -14.9311 -14.9311 -3.4025 -3.4025 3.1604 3.1604 4.3796 4.3796 4.7681 4.7681 6.1480 6.1480 7.5430 7.5430 k = 0.4167 0.4330-0.0000 ( 1504 PWs) bands (ev): -34.3347 -34.3347 -15.6252 -15.6252 -14.9312 -14.9312 -3.4025 -3.4025 3.1988 3.1988 4.3671 4.3671 4.7201 4.7201 6.1934 6.1934 7.4864 7.4864 k = 0.4083 0.4474-0.0000 ( 1502 PWs) bands (ev): -34.3347 -34.3347 -15.6253 -15.6253 -14.9313 -14.9313 -3.4026 -3.4026 3.2405 3.2405 4.3545 4.3545 4.6688 4.6688 6.2423 6.2423 7.4267 7.4267 k = 0.4000 0.4619-0.0000 ( 1502 PWs) bands (ev): -34.3347 -34.3347 -15.6253 -15.6253 -14.9313 -14.9313 -3.4026 -3.4026 3.2851 3.2851 4.3421 4.3421 4.6148 4.6148 6.2945 6.2945 7.3645 7.3645 k = 0.3917 0.4763-0.0000 ( 1506 PWs) bands (ev): -34.3347 -34.3347 -15.6254 -15.6254 -14.9314 -14.9314 -3.4026 -3.4026 3.3322 3.3322 4.3300 4.3300 4.5590 4.5590 6.3498 6.3498 7.3001 7.3001 k = 0.3833 0.4907-0.0000 ( 1510 PWs) bands (ev): -34.3347 -34.3347 -15.6254 -15.6254 -14.9315 -14.9315 -3.4026 -3.4026 3.3811 3.3811 4.3185 4.3185 4.5024 4.5024 6.4079 6.4079 7.2337 7.2337 k = 0.3750 0.5052-0.0000 ( 1506 PWs) bands (ev): -34.3347 -34.3347 -15.6255 -15.6255 -14.9315 -14.9315 -3.4026 -3.4026 3.4305 3.4305 4.3077 4.3077 4.4463 4.4463 6.4688 6.4688 7.1657 7.1657 k = 0.3667 0.5196-0.0000 ( 1514 PWs) bands (ev): -34.3347 -34.3347 -15.6255 -15.6255 -14.9316 -14.9316 -3.4026 -3.4026 3.4791 3.4791 4.2978 4.2978 4.3926 4.3926 6.5322 6.5322 7.0963 7.0963 k = 0.3583 0.5340-0.0000 ( 1516 PWs) bands (ev): -34.3347 -34.3347 -15.6256 -15.6256 -14.9316 -14.9316 -3.4026 -3.4026 3.5243 3.5243 4.2885 4.2885 4.3443 4.3443 6.5980 6.5980 7.0257 7.0257 k = 0.3500 0.5485-0.0000 ( 1514 PWs) bands (ev): -34.3347 -34.3347 -15.6256 -15.6256 -14.9317 -14.9317 -3.4026 -3.4026 3.5625 3.5625 4.2795 4.2795 4.3058 4.3058 6.6661 6.6661 6.9541 6.9541 k = 0.3417 0.5629-0.0000 ( 1512 PWs) bands (ev): -34.3347 -34.3347 -15.6256 -15.6256 -14.9317 -14.9317 -3.4026 -3.4026 3.5889 3.5889 4.2686 4.2686 4.2844 4.2844 6.7361 6.7361 6.8818 6.8818 k = 0.3333 0.5774-0.0000 ( 1512 PWs) bands (ev): -34.3347 -34.3347 -15.6256 -15.6256 -14.9317 -14.9317 -3.4026 -3.4026 3.5986 3.5986 4.2628 4.2628 4.2786 4.2786 6.8027 6.8027 6.8146 6.8146 k = 0.3333 0.5774-0.0000 ( 1512 PWs) bands (ev): -34.3347 -34.3347 -15.6256 -15.6256 -14.9317 -14.9317 -3.4026 -3.4026 3.5986 3.5986 4.2628 4.2628 4.2786 4.2786 6.8027 6.8027 6.8146 6.8146 k = 0.3248 0.5625-0.0000 ( 1512 PWs) bands (ev): -34.3347 -34.3347 -15.6256 -15.6256 -14.9317 -14.9317 -3.4026 -3.4026 3.5879 3.5879 4.2644 4.2644 4.2898 4.2898 6.7331 6.7331 6.8849 6.8849 k = 0.3162 0.5477-0.0000 ( 1514 PWs) bands (ev): -34.3347 -34.3347 -15.6256 -15.6256 -14.9317 -14.9317 -3.4026 -3.4026 3.5571 3.5571 4.2642 4.2642 4.3277 4.3277 6.6578 6.6578 6.9628 6.9628 k = 0.3077 0.5329-0.0000 ( 1512 PWs) bands (ev): -34.3347 -34.3347 -15.6255 -15.6255 -14.9316 -14.9316 -3.4026 -3.4026 3.5100 3.5100 4.2644 4.2644 4.3863 4.3863 6.5824 6.5824 7.0426 7.0426 k = 0.2991 0.5181-0.0000 ( 1506 PWs) bands (ev): -34.3347 -34.3347 -15.6255 -15.6255 -14.9315 -14.9315 -3.4026 -3.4026 3.4512 3.4512 4.2660 4.2660 4.4603 4.4603 6.5071 6.5071 7.1241 7.1241 k = 0.2906 0.5033-0.0000 ( 1506 PWs) bands (ev): -34.3347 -34.3347 -15.6254 -15.6254 -14.9315 -14.9315 -3.4026 -3.4026 3.3845 3.3845 4.2692 4.2692 4.5457 4.5457 6.4323 6.4323 7.2073 7.2073 k = 0.2821 0.4885-0.0000 ( 1508 PWs) bands (ev): -34.3347 -34.3347 -15.6253 -15.6253 -14.9314 -14.9314 -3.4026 -3.4026 3.3126 3.3126 4.2742 4.2742 4.6400 4.6400 6.3581 6.3581 7.2920 7.2920 k = 0.2735 0.4737-0.0000 ( 1510 PWs) bands (ev): -34.3347 -34.3347 -15.6252 -15.6252 -14.9312 -14.9312 -3.4026 -3.4026 3.2373 3.2373 4.2810 4.2810 4.7414 4.7414 6.2848 6.2848 7.3783 7.3783 k = 0.2650 0.4589-0.0000 ( 1506 PWs) bands (ev): -34.3347 -34.3347 -15.6251 -15.6251 -14.9311 -14.9311 -3.4025 -3.4025 3.1601 3.1601 4.2896 4.2896 4.8485 4.8485 6.2126 6.2126 7.4659 7.4659 k = 0.2564 0.4441-0.0000 ( 1506 PWs) bands (ev): -34.3347 -34.3347 -15.6250 -15.6250 -14.9309 -14.9309 -3.4025 -3.4025 3.0818 3.0818 4.3000 4.3000 4.9604 4.9604 6.1417 6.1417 7.5549 7.5549 k = 0.2479 0.4293-0.0000 ( 1506 PWs) bands (ev): -34.3347 -34.3347 -15.6248 -15.6248 -14.9307 -14.9307 -3.4025 -3.4025 3.0030 3.0030 4.3121 4.3121 5.0762 5.0762 6.0726 6.0726 7.6452 7.6452 k = 0.2393 0.4145-0.0000 ( 1506 PWs) bands (ev): -34.3347 -34.3347 -15.6246 -15.6246 -14.9305 -14.9305 -3.4025 -3.4025 2.9244 2.9244 4.3261 4.3261 5.1951 5.1951 6.0058 6.0058 7.7366 7.7366 k = 0.2308 0.3997-0.0000 ( 1506 PWs) bands (ev): -34.3347 -34.3347 -15.6244 -15.6244 -14.9303 -14.9303 -3.4025 -3.4025 2.8464 2.8464 4.3418 4.3418 5.3157 5.3157 5.9423 5.9423 7.8291 7.8291 k = 0.2222 0.3849-0.0000 ( 1502 PWs) bands (ev): -34.3347 -34.3347 -15.6242 -15.6242 -14.9300 -14.9300 -3.4025 -3.4025 2.7693 2.7693 4.3593 4.3593 5.4353 5.4353 5.8845 5.8845 7.9225 7.9225 k = 0.2137 0.3701-0.0000 ( 1507 PWs) bands (ev): -34.3347 -34.3347 -15.6240 -15.6240 -14.9297 -14.9297 -3.4024 -3.4024 2.6934 2.6934 4.3783 4.3783 5.5460 5.5460 5.8401 5.8401 8.0169 8.0169 k = 0.2051 0.3553-0.0000 ( 1503 PWs) bands (ev): -34.3347 -34.3347 -15.6238 -15.6238 -14.9295 -14.9295 -3.4024 -3.4024 2.6189 2.6189 4.3990 4.3990 5.6186 5.6186 5.8382 5.8382 8.1119 8.1119 k = 0.1966 0.3405-0.0000 ( 1505 PWs) bands (ev): -34.3347 -34.3347 -15.6235 -15.6235 -14.9292 -14.9292 -3.4024 -3.4024 2.5462 2.5462 4.4212 4.4212 5.6179 5.6179 5.9135 5.9135 8.2075 8.2075 k = 0.1880 0.3257-0.0000 ( 1505 PWs) bands (ev): -34.3347 -34.3347 -15.6232 -15.6232 -14.9288 -14.9288 -3.4024 -3.4024 2.4753 2.4753 4.4448 4.4448 5.5792 5.5792 6.0306 6.0306 8.3036 8.3036 k = 0.1795 0.3109-0.0000 ( 1503 PWs) bands (ev): -34.3347 -34.3347 -15.6230 -15.6230 -14.9285 -14.9285 -3.4023 -3.4023 2.4065 2.4065 4.4697 4.4697 5.5311 5.5311 6.1605 6.1605 8.3998 8.3998 k = 0.1709 0.2961-0.0000 ( 1503 PWs) bands (ev): -34.3347 -34.3347 -15.6227 -15.6227 -14.9282 -14.9282 -3.4023 -3.4023 2.3400 2.3400 4.4959 4.4959 5.4811 5.4811 6.2953 6.2953 8.4961 8.4961 k = 0.1624 0.2813-0.0000 ( 1499 PWs) bands (ev): -34.3348 -34.3348 -15.6224 -15.6224 -14.9278 -14.9278 -3.4023 -3.4023 2.2759 2.2759 4.5231 4.5231 5.4316 5.4316 6.4323 6.4323 8.5920 8.5920 k = 0.1538 0.2665-0.0000 ( 1499 PWs) bands (ev): -34.3348 -34.3348 -15.6221 -15.6221 -14.9275 -14.9275 -3.4023 -3.4023 2.2143 2.2143 4.5512 4.5512 5.3836 5.3836 6.5699 6.5699 8.6872 8.6872 k = 0.1453 0.2517-0.0000 ( 1499 PWs) bands (ev): -34.3348 -34.3348 -15.6218 -15.6218 -14.9272 -14.9272 -3.4022 -3.4022 2.1553 2.1553 4.5800 4.5800 5.3374 5.3374 6.7073 6.7073 8.7812 8.7812 k = 0.1368 0.2369-0.0000 ( 1495 PWs) bands (ev): -34.3348 -34.3348 -15.6215 -15.6215 -14.9268 -14.9268 -3.4022 -3.4022 2.0992 2.0992 4.6094 4.6094 5.2933 5.2933 6.8435 6.8435 8.8734 8.8734 k = 0.1282 0.2221-0.0000 ( 1491 PWs) bands (ev): -34.3348 -34.3348 -15.6212 -15.6212 -14.9265 -14.9265 -3.4022 -3.4022 2.0459 2.0459 4.6391 4.6391 5.2516 5.2516 6.9776 6.9776 8.9628 8.9628 k = 0.1197 0.2073-0.0000 ( 1497 PWs) bands (ev): -34.3348 -34.3348 -15.6209 -15.6209 -14.9261 -14.9261 -3.4021 -3.4021 1.9956 1.9956 4.6689 4.6689 5.2122 5.2122 7.1087 7.1087 9.0482 9.0482 k = 0.1111 0.1925-0.0000 ( 1497 PWs) bands (ev): -34.3348 -34.3348 -15.6207 -15.6207 -14.9258 -14.9258 -3.4021 -3.4021 1.9484 1.9484 4.6985 4.6985 5.1754 5.1754 7.2359 7.2359 9.1278 9.1278 k = 0.1026 0.1776-0.0000 ( 1501 PWs) bands (ev): -34.3348 -34.3348 -15.6204 -15.6204 -14.9255 -14.9255 -3.4021 -3.4021 1.9044 1.9044 4.7277 4.7277 5.1411 5.1411 7.3581 7.3581 9.1984 9.1984 k = 0.0940 0.1628-0.0000 ( 1499 PWs) bands (ev): -34.3348 -34.3348 -15.6202 -15.6202 -14.9252 -14.9252 -3.4021 -3.4021 1.8636 1.8636 4.7563 4.7563 5.1095 5.1095 7.4744 7.4744 9.2555 9.2555 k = 0.0855 0.1480-0.0000 ( 1501 PWs) bands (ev): -34.3348 -34.3348 -15.6199 -15.6199 -14.9249 -14.9249 -3.4020 -3.4020 1.8261 1.8261 4.7838 4.7838 5.0805 5.0805 7.5837 7.5837 9.2930 9.2930 k = 0.0769 0.1332-0.0000 ( 1503 PWs) bands (ev): -34.3348 -34.3348 -15.6197 -15.6197 -14.9246 -14.9246 -3.4020 -3.4020 1.7920 1.7920 4.8099 4.8099 5.0543 5.0543 7.6849 7.6849 9.3054 9.3054 k = 0.0684 0.1184-0.0000 ( 1495 PWs) bands (ev): -34.3348 -34.3348 -15.6195 -15.6195 -14.9244 -14.9244 -3.4020 -3.4020 1.7613 1.7613 4.8344 4.8344 5.0308 5.0308 7.7772 7.7772 9.2941 9.2941 k = 0.0598 0.1036-0.0000 ( 1499 PWs) bands (ev): -34.3348 -34.3348 -15.6193 -15.6193 -14.9242 -14.9242 -3.4020 -3.4020 1.7341 1.7341 4.8568 4.8568 5.0102 5.0102 7.8597 7.8597 9.2668 9.2668 k = 0.0513 0.0888-0.0000 ( 1499 PWs) bands (ev): -34.3348 -34.3348 -15.6191 -15.6191 -14.9240 -14.9240 -3.4020 -3.4020 1.7105 1.7105 4.8767 4.8767 4.9926 4.9926 7.9318 7.9318 9.2326 9.2326 k = 0.0427 0.0740-0.0000 ( 1499 PWs) bands (ev): -34.3348 -34.3348 -15.6190 -15.6190 -14.9238 -14.9238 -3.4020 -3.4020 1.6904 1.6904 4.8938 4.8938 4.9780 4.9780 7.9931 7.9931 9.1978 9.1978 k = 0.0342 0.0592-0.0000 ( 1501 PWs) bands (ev): -34.3349 -34.3349 -15.6189 -15.6189 -14.9237 -14.9237 -3.4019 -3.4019 1.6739 1.6739 4.9075 4.9075 4.9668 4.9668 8.0433 8.0433 9.1661 9.1661 k = 0.0256 0.0444-0.0000 ( 1501 PWs) bands (ev): -34.3349 -34.3349 -15.6188 -15.6188 -14.9236 -14.9236 -3.4019 -3.4019 1.6611 1.6611 4.9170 4.9170 4.9595 4.9595 8.0824 8.0824 9.1399 9.1399 k = 0.0171 0.0296-0.0000 ( 1503 PWs) bands (ev): -34.3349 -34.3349 -15.6187 -15.6187 -14.9235 -14.9235 -3.4019 -3.4019 1.6519 1.6519 4.9221 4.9221 4.9561 4.9561 8.1102 8.1102 9.1205 9.1205 k = 0.0085 0.0148-0.0000 ( 1495 PWs) bands (ev): -34.3349 -34.3349 -15.6187 -15.6187 -14.9234 -14.9234 -3.4019 -3.4019 1.6464 1.6464 4.9238 4.9238 4.9554 4.9554 8.1269 8.1269 9.1085 9.1085 k = 0.0000 0.0000 0.0000 ( 1507 PWs) bands (ev): -34.3349 -34.3349 -15.6187 -15.6187 -14.9234 -14.9234 -3.4019 -3.4019 1.6446 1.6446 4.9241 4.9241 4.9555 4.9555 8.1324 8.1324 9.1045 9.1045 k = 0.0000 0.0000 0.0000 ( 1507 PWs) bands (ev): -34.3349 -34.3349 -15.6187 -15.6187 -14.9234 -14.9234 -3.4019 -3.4019 1.6446 1.6446 4.9241 4.9241 4.9555 4.9555 8.1324 8.1324 9.1045 9.1045 k = 0.0000 0.0000 0.0174 ( 1507 PWs) bands (ev): -34.3335 -34.3335 -15.6176 -15.6176 -14.9223 -14.9223 -3.4157 -3.4157 1.6469 1.6469 4.9255 4.9255 4.9570 4.9570 8.1439 8.1439 9.1060 9.1060 k = 0.0000 0.0000 0.0348 ( 1507 PWs) bands (ev): -34.3295 -34.3295 -15.6143 -15.6143 -14.9189 -14.9189 -3.4568 -3.4568 1.6540 1.6540 4.9298 4.9298 4.9613 4.9613 8.1783 8.1783 9.1105 9.1105 k = 0.0000 0.0000 0.0521 ( 1507 PWs) bands (ev): -34.3228 -34.3228 -15.6088 -15.6088 -14.9131 -14.9131 -3.5245 -3.5245 1.6656 1.6656 4.9370 4.9370 4.9685 4.9685 8.2348 8.2348 9.1181 9.1181 k = 0.0000 0.0000 0.0695 ( 1507 PWs) bands (ev): -34.3135 -34.3135 -15.6011 -15.6011 -14.9051 -14.9051 -3.6178 -3.6178 1.6815 1.6815 4.9470 4.9470 4.9785 4.9785 8.3125 8.3125 9.1286 9.1286 k = 0.0000 0.0000 0.0869 ( 1507 PWs) bands (ev): -34.3015 -34.3015 -15.5912 -15.5912 -14.8949 -14.8949 -3.7353 -3.7353 1.7015 1.7015 4.9599 4.9599 4.9914 4.9914 8.4099 8.4099 9.1422 9.1422 k = 0.0000 0.0000 0.1043 ( 1507 PWs) bands (ev): -34.2868 -34.2868 -15.5792 -15.5792 -14.8823 -14.8823 -3.8754 -3.8754 1.7252 1.7252 4.9757 4.9757 5.0072 5.0072 8.5255 8.5255 9.1588 9.1588 k = 0.0000 0.0000 0.1217 ( 1507 PWs) bands (ev): -34.2694 -34.2694 -15.5650 -15.5650 -14.8675 -14.8675 -4.0363 -4.0363 1.7525 1.7525 4.9943 4.9943 5.0258 5.0258 8.6572 8.6572 9.1784 9.1784 k = 0.0000 0.0000 0.1390 ( 1507 PWs) bands (ev): -34.2494 -34.2494 -15.5486 -15.5486 -14.8504 -14.8504 -4.2163 -4.2163 1.7830 1.7830 5.0158 5.0158 5.0473 5.0473 8.8032 8.8032 9.2011 9.2011 k = 0.0000 0.0000 0.1564 ( 1507 PWs) bands (ev): -34.2267 -34.2267 -15.5300 -15.5300 -14.8310 -14.8310 -4.4135 -4.4135 1.8165 1.8165 5.0401 5.0401 5.0717 5.0717 8.9611 8.9611 9.2267 9.2267 k = 0.0000 0.0000 0.1738 ( 1507 PWs) bands (ev): -34.2014 -34.2014 -15.5094 -15.5094 -14.8094 -14.8094 -4.6262 -4.6262 1.8529 1.8529 5.0673 5.0673 5.0990 5.0990 9.1287 9.1287 9.2554 9.2554 k = 0.0000 0.0000 0.1912 ( 1507 PWs) bands (ev): -34.1734 -34.1734 -15.4866 -15.4866 -14.7856 -14.7856 -4.8528 -4.8528 1.8921 1.8921 5.0973 5.0973 5.1290 5.1290 9.2871 9.2871 9.3037 9.3037 k = 0.0000 0.0000 0.2086 ( 1507 PWs) bands (ev): -34.1427 -34.1427 -15.4616 -15.4616 -14.7596 -14.7596 -5.0916 -5.0916 1.9339 1.9339 5.1302 5.1302 5.1620 5.1620 9.3218 9.3218 9.4838 9.4838 k = 0.0000 0.0000 0.2259 ( 1495 PWs) bands (ev): -34.1095 -34.1095 -15.4346 -15.4346 -14.7313 -14.7313 -5.3412 -5.3412 1.9784 1.9784 5.1660 5.1660 5.1978 5.1978 9.3595 9.3595 9.6659 9.6659 k = 0.0000 0.0000 0.2433 ( 1501 PWs) bands (ev): -34.0736 -34.0736 -15.4055 -15.4055 -14.7009 -14.7009 -5.6003 -5.6003 2.0254 2.0254 5.2046 5.2046 5.2364 5.2364 9.4002 9.4002 9.8456 9.8456 k = 0.0000 0.0000 0.2607 ( 1489 PWs) bands (ev): -34.0350 -34.0350 -15.3744 -15.3744 -14.6682 -14.6682 -5.8678 -5.8678 2.0749 2.0749 5.2460 5.2460 5.2779 5.2779 9.4440 9.4440 10.0107 10.0107 k = 0.0000 0.0000 0.2781 ( 1489 PWs) bands (ev): -33.9939 -33.9939 -15.3413 -15.3413 -14.6334 -14.6334 -6.1424 -6.1424 2.1270 2.1270 5.2903 5.2903 5.3223 5.3223 9.4908 9.4908 10.1240 10.1240 k = 0.0000 0.0000 0.2955 ( 1489 PWs) bands (ev): -33.9501 -33.9501 -15.3061 -15.3061 -14.5965 -14.5965 -6.4234 -6.4234 2.1817 2.1817 5.3374 5.3374 5.3695 5.3695 9.5406 9.5406 10.1770 10.1770 k = 0.0000 0.0000 0.3128 ( 1483 PWs) bands (ev): -33.9037 -33.9037 -15.2690 -15.2690 -14.5574 -14.5574 -6.7097 -6.7097 2.2390 2.2390 5.3873 5.3873 5.4195 5.4195 9.5934 9.5934 10.2090 10.2090 k = 0.0000 0.0000 0.3302 ( 1483 PWs) bands (ev): -33.8547 -33.8547 -15.2299 -15.2299 -14.5162 -14.5162 -7.0006 -7.0006 2.2988 2.2988 5.4401 5.4401 5.4723 5.4723 9.6492 9.6492 10.2343 10.2343 k = 0.0000 0.0000 0.3476 ( 1483 PWs) bands (ev): -33.8032 -33.8032 -15.1890 -15.1890 -14.4729 -14.4729 -7.2953 -7.2953 2.3613 2.3613 5.4956 5.4956 5.5280 5.5280 9.7081 9.7081 10.2562 10.2562 k = 0.0000 0.0000 0.3650 ( 1483 PWs) bands (ev): -33.7490 -33.7490 -15.1462 -15.1462 -14.4276 -14.4276 -7.5933 -7.5933 2.4264 2.4264 5.5540 5.5540 5.5865 5.5865 9.7699 9.7699 10.2750 10.2750 k = 0.0000 0.0000 0.3824 ( 1483 PWs) bands (ev): -33.6923 -33.6923 -15.1015 -15.1015 -14.3803 -14.3803 -7.8939 -7.8939 2.4942 2.4942 5.6152 5.6152 5.6478 5.6478 9.8348 9.8348 10.2906 10.2906 k = 0.0000 0.0000 0.3997 ( 1483 PWs) bands (ev): -33.6330 -33.6330 -15.0552 -15.0552 -14.3309 -14.3309 -8.1966 -8.1966 2.5647 2.5647 5.6792 5.6792 5.7119 5.7119 9.9027 9.9027 10.3023 10.3023 k = 0.0000 0.0000 0.4171 ( 1483 PWs) bands (ev): -33.5712 -33.5712 -15.0071 -15.0071 -14.2796 -14.2796 -8.5009 -8.5009 2.6380 2.6380 5.7460 5.7460 5.7788 5.7788 9.9737 9.9737 10.3093 10.3093 k = 0.0000 0.0000 0.4345 ( 1489 PWs) bands (ev): -33.5069 -33.5069 -14.9574 -14.9574 -14.2263 -14.2263 -8.8063 -8.8063 2.7140 2.7140 5.8156 5.8156 5.8485 5.8485 10.0476 10.3105 10.3105 10.5393 k = 0.0000 0.0000 0.4519 ( 1489 PWs) bands (ev): -33.4401 -33.4401 -14.9062 -14.9062 -14.1711 -14.1711 -9.1125 -9.1125 2.7927 2.7927 5.8880 5.8880 5.9210 5.9210 10.1245 10.1245 10.3047 10.3047 k = 0.0000 0.0000 0.4693 ( 1483 PWs) bands (ev): -33.3707 -33.3707 -14.8535 -14.8535 -14.1140 -14.1140 -9.4190 -9.4190 2.8742 2.8742 5.9631 5.9631 5.9963 5.9963 10.2045 10.2905 10.2905 10.5255 k = 0.0000 0.0000 0.4867 ( 1483 PWs) bands (ev): -33.2989 -33.2989 -14.7996 -14.7996 -14.0551 -14.0551 -9.7254 -9.7254 2.9586 2.9586 6.0410 6.0410 6.0743 6.0743 10.2664 10.2664 10.2875 10.2875 k = 0.0000 0.0000 0.5040 ( 1495 PWs) bands (ev): -33.2247 -33.2247 -14.7444 -14.7444 -13.9944 -13.9944 -10.0314 -10.0314 3.0457 3.0457 6.1216 6.1216 6.1551 6.1551 10.2307 10.2307 10.3735 10.3735 k = 0.0000 0.0000 0.5214 ( 1507 PWs) bands (ev): -33.1480 -33.1480 -14.6882 -14.6882 -13.9320 -13.9320 -10.3365 -10.3365 3.1357 3.1357 6.2050 6.2050 6.2386 6.2386 10.1820 10.1820 10.4246 10.4246 k = 0.0000 0.0000 0.5388 ( 1507 PWs) bands (ev): -33.0689 -33.0689 -14.6313 -14.6313 -13.8678 -13.8678 -10.6404 -10.6404 3.2285 3.2285 6.2911 6.2911 6.3249 6.3249 10.1187 10.1187 10.3626 10.3626 k = 0.0000 0.0000 0.5562 ( 1508 PWs) bands (ev): -32.9874 -32.9874 -14.5738 -14.5738 -13.8020 -13.8020 -10.9425 -10.9425 3.3242 3.3242 6.3799 6.3799 6.4139 6.4139 10.0397 10.0397 10.2839 10.2839 k = 0.0000 0.0000 0.5736 ( 1508 PWs) bands (ev): -32.9035 -32.9035 -14.5164 -14.5164 -13.7346 -13.7346 -11.2423 -11.2423 3.4227 3.4227 6.4714 6.4714 6.5055 6.5055 9.9441 9.9441 10.1875 10.1875 k = 0.0000 0.0000 0.5909 ( 1508 PWs) bands (ev): -32.8173 -32.8173 -14.4594 -14.4594 -13.6656 -13.6656 -11.5391 -11.5391 3.5241 3.5241 6.5655 6.5655 6.5999 6.5999 9.8317 9.8317 10.0731 10.0731 k = 0.0000 0.0000 0.6083 ( 1508 PWs) bands (ev): -32.7289 -32.7289 -14.4039 -14.4039 -13.5952 -13.5952 -11.8318 -11.8318 3.6284 3.6284 6.6624 6.6624 6.6970 6.6970 9.7028 9.7028 9.9410 9.9410 k = 0.0000 0.0000 0.6257 ( 1514 PWs) bands (ev): -32.6381 -32.6381 -14.3512 -14.3512 -13.5233 -13.5233 -12.1190 -12.1190 3.7356 3.7356 6.7618 6.7618 6.7967 6.7967 9.5580 9.5580 9.7921 9.7921 k = 0.0000 0.0000 0.6431 ( 1520 PWs) bands (ev): -32.5451 -32.5451 -14.3036 -14.3036 -13.4501 -13.4501 -12.3983 -12.3983 3.8456 3.8456 6.8639 6.8639 6.8990 6.8990 9.3988 9.3988 9.6278 9.6278 k = 0.0000 0.0000 0.6605 ( 1508 PWs) bands (ev): -32.4499 -32.4499 -14.2649 -14.2649 -13.3755 -13.3755 -12.6656 -12.6656 3.9586 3.9586 6.9686 6.9686 7.0040 7.0040 9.2267 9.2267 9.4498 9.4498 k = 0.0000 0.0000 0.6778 ( 1508 PWs) bands (ev): -32.3526 -32.3526 -14.2423 -14.2423 -13.2997 -13.2997 -12.9139 -12.9139 4.0745 4.0745 7.0759 7.0759 7.1116 7.1116 9.0433 9.0433 9.2602 9.2602 k = 0.0000 0.0000 0.6952 ( 1520 PWs) bands (ev): -32.2532 -32.2532 -14.2484 -14.2484 -13.2228 -13.2228 -13.1305 -13.1305 4.1933 4.1933 7.1857 7.1857 7.2217 7.2217 8.8504 8.8504 9.0608 9.0608 k = 0.0000 0.0000 0.7126 ( 1520 PWs) bands (ev): -32.1517 -32.1517 -14.3018 -14.3018 -13.2965 -13.2965 -13.1449 -13.1449 4.3150 4.3150 7.2980 7.2980 7.3343 7.3343 8.6499 8.6499 8.8537 8.8537 k = 0.0000 0.0000 0.7300 ( 1520 PWs) bands (ev): -32.0482 -32.0482 -14.4184 -14.4184 -13.3963 -13.3963 -13.0660 -13.0660 4.4396 4.4396 7.4128 7.4128 7.4495 7.4495 8.4433 8.4433 8.6405 8.6405 k = 0.0000 0.0000 0.7474 ( 1526 PWs) bands (ev): -31.9428 -31.9428 -14.5946 -14.5946 -13.4332 -13.4332 -12.9862 -12.9862 4.5671 4.5671 7.5299 7.5299 7.5672 7.5672 8.2322 8.2322 8.4228 8.4228 k = 0.0000 0.0000 0.7647 ( 1514 PWs) bands (ev): -31.8355 -31.8355 -14.8114 -14.8114 -13.4263 -13.4263 -12.9056 -12.9056 4.6975 4.6975 7.6493 7.6493 7.6872 7.6872 8.0178 8.0178 8.2022 8.2022 k = 0.0000 0.0000 0.7821 ( 1514 PWs) bands (ev): -31.7264 -31.7264 -15.0511 -15.0511 -13.3932 -13.3932 -12.8243 -12.8243 4.8309 4.8309 7.7697 7.7697 7.8014 7.8014 7.8097 7.8097 7.9809 7.9809 k = 0.0000 0.0000 0.7995 ( 1514 PWs) bands (ev): -31.6156 -31.6156 -15.3029 -15.3029 -13.3446 -13.3446 -12.7425 -12.7425 4.9672 4.9672 7.5839 7.5839 7.7505 7.7505 7.9008 7.9008 7.9346 7.9346 k = 0.0000 0.0000 0.8169 ( 1508 PWs) bands (ev): -31.5031 -31.5031 -15.5606 -15.5606 -13.2869 -13.2869 -12.6602 -12.6602 5.1064 5.1064 7.3664 7.3664 7.5294 7.5294 8.0248 8.0248 8.0617 8.0617 k = 0.0000 0.0000 0.8343 ( 1508 PWs) bands (ev): -31.3891 -31.3891 -15.8208 -15.8208 -13.2232 -13.2232 -12.5776 -12.5776 5.2485 5.2485 7.1496 7.1496 7.3069 7.3069 8.1533 8.1533 8.1911 8.1911 k = 0.0000 0.0000 0.8516 ( 1508 PWs) bands (ev): -31.2737 -31.2737 -16.0814 -16.0814 -13.1557 -13.1557 -12.4948 -12.4948 5.3936 5.3936 6.9343 6.9343 7.0856 7.0856 8.2842 8.2842 8.3227 8.3227 k = 0.0000 0.0000 0.8690 ( 1520 PWs) bands (ev): -31.1569 -31.1569 -16.3412 -16.3412 -13.0857 -13.0857 -12.4120 -12.4120 5.5415 5.5415 6.7210 6.7210 6.8665 6.8665 8.4173 8.4173 8.4564 8.4564 k = 0.0000 0.0000 0.8864 ( 1520 PWs) bands (ev): -31.0389 -31.0389 -16.5991 -16.5991 -13.0140 -13.0140 -12.3292 -12.3292 5.6922 5.6922 6.5106 6.5106 6.6500 6.6500 8.5525 8.5525 8.5921 8.5921 k = 0.0000 0.0000 0.9038 ( 1520 PWs) bands (ev): -30.9198 -30.9198 -16.8546 -16.8546 -12.9413 -12.9413 -12.2467 -12.2467 5.8454 5.8454 6.3037 6.3037 6.4368 6.4368 8.6896 8.6896 8.7298 8.7298 k = 0.0000 0.0000 0.9212 ( 1508 PWs) bands (ev): -30.7998 -30.7998 -17.1072 -17.1072 -12.8680 -12.8680 -12.1646 -12.1646 5.9968 5.9968 6.1051 6.1051 6.2272 6.2272 8.8286 8.8286 8.8694 8.8694 k = 0.0000 0.0000 0.9385 ( 1508 PWs) bands (ev): -30.6790 -30.6790 -17.3564 -17.3564 -12.7946 -12.7946 -12.0830 -12.0830 5.8955 5.8955 6.0218 6.0218 6.1663 6.1663 8.9693 8.9693 9.0107 9.0107 k = 0.0000 0.0000 0.9559 ( 1508 PWs) bands (ev): -30.5577 -30.5577 -17.6018 -17.6018 -12.7212 -12.7212 -12.0021 -12.0021 5.7016 5.7016 5.8209 5.8209 6.3275 6.3275 9.1116 9.1116 9.1537 9.1537 k = 0.0000 0.0000 0.9733 ( 1502 PWs) bands (ev): -30.4360 -30.4360 -17.8431 -17.8431 -12.6484 -12.6484 -11.9222 -11.9222 5.5113 5.5113 5.6248 5.6248 6.4927 6.4927 9.2554 9.2554 9.2982 9.2982 k = 0.0000 0.0000 0.9907 ( 1502 PWs) bands (ev): -30.3141 -30.3141 -18.0799 -18.0799 -12.5762 -12.5762 -11.8434 -11.8434 5.3260 5.3260 5.4341 5.4341 6.6611 6.6611 9.4004 9.4004 9.4440 9.4440 k = 0.0000 0.0000 1.0081 ( 1514 PWs) bands (ev): -30.1923 -30.1923 -18.3119 -18.3119 -12.5051 -12.5051 -11.7658 -11.7658 5.1462 5.1462 5.2489 5.2489 6.8325 6.8325 9.5466 9.5466 9.5910 9.5910 k = 0.0000 0.0000 1.0254 ( 1514 PWs) bands (ev): -30.0709 -30.0709 -18.5388 -18.5388 -12.4352 -12.4352 -11.6898 -11.6898 4.9721 4.9721 5.0696 5.0696 7.0069 7.0069 9.6937 9.6937 9.7389 9.7389 k = 0.0000 0.0000 1.0428 ( 1514 PWs) bands (ev): -29.9502 -29.9502 -18.7601 -18.7601 -12.3667 -12.3667 -11.6155 -11.6155 4.8042 4.8042 4.8966 4.8966 7.1842 7.1842 9.8414 9.8414 9.8875 9.8875 k = 0.0000 0.0000 1.0602 ( 1526 PWs) bands (ev): -29.8305 -29.8305 -18.9754 -18.9754 -12.2999 -12.2999 -11.5431 -11.5431 4.6427 4.6427 4.7301 4.7301 7.3644 7.3644 9.9895 9.9895 10.0366 10.0366 k = 0.0000 0.0000 1.0776 ( 1538 PWs) bands (ev): -29.7121 -29.7121 -19.1845 -19.1845 -12.2351 -12.2351 -11.4728 -11.4728 4.4880 4.4880 4.5705 4.5705 7.5476 7.5476 10.1376 10.1376 10.1858 10.1858 k = 0.0000 0.0000 1.0950 ( 1538 PWs) bands (ev): -29.5956 -29.5956 -19.3867 -19.3867 -12.1724 -12.1724 -11.4049 -11.4049 4.3403 4.3403 4.4181 4.4181 7.7337 7.7337 10.2855 10.2855 10.3348 10.3348 k = 0.0000 0.0000 1.1123 ( 1520 PWs) bands (ev): -29.4812 -29.4812 -19.5816 -19.5816 -12.1121 -12.1121 -11.3397 -11.3397 4.1999 4.1999 4.2731 4.2731 7.9228 7.9228 10.4326 10.4326 10.4831 10.4831 k = 0.0000 0.0000 1.1297 ( 1514 PWs) bands (ev): -29.3696 -29.3696 -19.7687 -19.7687 -12.0545 -12.0545 -11.2772 -11.2772 4.0672 4.0672 4.1359 4.1359 8.1147 8.1147 10.5784 10.5784 10.6302 10.6302 k = 0.0000 0.0000 1.1471 ( 1520 PWs) bands (ev): -29.2613 -29.2613 -19.9475 -19.9475 -11.9996 -11.9996 -11.2178 -11.2178 3.9422 3.9422 4.0067 4.0067 8.3096 8.3096 10.7223 10.7223 10.7755 10.7755 k = 0.0000 0.0000 1.1645 ( 1520 PWs) bands (ev): -29.1569 -29.1569 -20.1172 -20.1172 -11.9478 -11.9478 -11.1616 -11.1616 3.8254 3.8254 3.8858 3.8858 8.5073 8.5073 10.8637 10.8637 10.9184 10.9184 k = 0.0000 0.0000 1.1819 ( 1520 PWs) bands (ev): -29.0569 -29.0569 -20.2774 -20.2774 -11.8992 -11.8992 -11.1090 -11.1090 3.7169 3.7169 3.7734 3.7734 8.7080 8.7080 11.0017 11.0017 11.0580 11.0580 k = 0.0000 0.0000 1.1992 ( 1520 PWs) bands (ev): -28.9621 -28.9621 -20.4272 -20.4272 -11.8541 -11.8541 -11.0601 -11.0601 3.6169 3.6169 3.6699 3.6699 8.9116 8.9116 11.1354 11.1354 11.1933 11.1933 k = 0.0000 0.0000 1.2166 ( 1514 PWs) bands (ev): -28.8731 -28.8731 -20.5659 -20.5659 -11.8127 -11.8127 -11.0151 -11.0151 3.5258 3.5258 3.5754 3.5754 9.1181 9.1181 11.2636 11.2636 11.3233 11.3233 k = 0.0000 0.0000 1.2340 ( 1514 PWs) bands (ev): -28.7907 -28.7907 -20.6929 -20.6929 -11.7750 -11.7750 -10.9743 -10.9743 3.4437 3.4437 3.4902 3.4902 9.3274 9.3274 11.3852 11.3852 11.4466 11.4466 k = 0.0000 0.0000 1.2514 ( 1514 PWs) bands (ev): -28.7157 -28.7157 -20.8072 -20.8072 -11.7414 -11.7414 -10.9378 -10.9378 3.3707 3.3707 3.4145 3.4145 9.5397 9.5397 11.4986 11.4986 11.5618 11.5618 k = 0.0000 0.0000 1.2688 ( 1514 PWs) bands (ev): -28.6488 -28.6488 -20.9083 -20.9083 -11.7119 -11.7119 -10.9058 -10.9058 3.3071 3.3071 3.3485 3.3485 9.7548 9.7548 11.6022 11.6022 11.6673 11.6673 k = 0.0000 0.0000 1.2862 ( 1514 PWs) bands (ev): -28.5907 -28.5907 -20.9953 -20.9953 -11.6867 -11.6867 -10.8784 -10.8784 3.2530 3.2530 3.2923 3.2923 9.9728 9.9728 11.6943 11.6943 11.7611 11.7611 k = 0.0000 0.0000 1.3035 ( 1514 PWs) bands (ev): -28.5421 -28.5421 -21.0676 -21.0676 -11.6660 -11.6660 -10.8558 -10.8558 3.2086 3.2086 3.2461 3.2461 10.1936 10.1936 11.7731 11.7731 11.8415 11.8415 k = 0.0000 0.0000 1.3209 ( 1514 PWs) bands (ev): -28.5035 -28.5035 -21.1245 -21.1245 -11.6497 -11.6497 -10.8381 -10.8381 3.1739 3.1739 3.2100 3.2100 10.4173 10.4173 11.8191 11.8191 11.8367 11.8367 k = 0.0000 0.0000 1.3383 ( 1502 PWs) bands (ev): -28.4757 -28.4757 -21.1655 -21.1655 -11.6380 -11.6380 -10.8254 -10.8254 3.1491 3.1491 3.1842 3.1842 10.6438 10.6438 11.5785 11.5785 11.8836 11.8836 k = 0.0000 0.0000 1.3557 ( 1508 PWs) bands (ev): -28.4588 -28.4588 -21.1903 -21.1903 -11.6310 -11.6310 -10.8178 -10.8178 3.1342 3.1342 3.1687 3.1687 10.8731 10.8731 11.3408 11.3408 11.9123 11.9123 k = 0.0000 0.0000 1.3731 ( 1508 PWs) bands (ev): -28.4531 -28.4531 -21.1986 -21.1986 -11.6286 -11.6286 -10.8152 -10.8152 3.1292 3.1292 3.1635 3.1635 11.0949 11.0949 11.1162 11.1162 11.9219 11.9219 k = 0.0000 0.0000 1.3731 ( 1508 PWs) bands (ev): -28.4531 -28.4531 -21.1986 -21.1986 -11.6286 -11.6286 -10.8152 -10.8152 3.1292 3.1292 3.1635 3.1635 11.0949 11.0949 11.1162 11.1162 11.9219 11.9219 k = 0.0147 0.0085 1.3731 ( 1508 PWs) bands (ev): -28.4531 -28.4531 -21.1986 -21.1986 -11.6286 -11.6286 -10.8152 -10.8152 3.1291 3.1291 3.1634 3.1634 11.0971 11.0971 11.1181 11.1181 11.9221 11.9221 k = 0.0294 0.0170 1.3731 ( 1508 PWs) bands (ev): -28.4531 -28.4531 -21.1986 -21.1986 -11.6287 -11.6287 -10.8152 -10.8152 3.1287 3.1287 3.1630 3.1630 11.1037 11.1037 11.1235 11.1235 11.9225 11.9225 k = 0.0441 0.0255 1.3731 ( 1510 PWs) bands (ev): -28.4531 -28.4531 -21.1986 -21.1986 -11.6287 -11.6287 -10.8153 -10.8153 3.1280 3.1280 3.1624 3.1624 11.1147 11.1147 11.1326 11.1326 11.9230 11.9230 k = 0.0588 0.0340 1.3731 ( 1510 PWs) bands (ev): -28.4531 -28.4531 -21.1986 -21.1986 -11.6287 -11.6287 -10.8153 -10.8153 3.1271 3.1271 3.1615 3.1615 11.1300 11.1300 11.1454 11.1454 11.9234 11.9234 k = 0.0735 0.0425 1.3731 ( 1506 PWs) bands (ev): -28.4531 -28.4531 -21.1986 -21.1986 -11.6288 -11.6288 -10.8154 -10.8154 3.1260 3.1260 3.1605 3.1605 11.1495 11.1495 11.1618 11.1618 11.9233 11.9233 k = 0.0882 0.0509 1.3731 ( 1510 PWs) bands (ev): -28.4531 -28.4531 -21.1986 -21.1986 -11.6288 -11.6288 -10.8154 -10.8154 3.1245 3.1245 3.1592 3.1592 11.1727 11.1727 11.1822 11.1822 11.9226 11.9226 k = 0.1029 0.0594 1.3731 ( 1506 PWs) bands (ev): -28.4531 -28.4531 -21.1986 -21.1986 -11.6289 -11.6289 -10.8155 -10.8155 3.1227 3.1227 3.1578 3.1578 11.1988 11.1988 11.2073 11.2073 11.9210 11.9211 k = 0.1176 0.0679 1.3731 ( 1506 PWs) bands (ev): -28.4531 -28.4531 -21.1986 -21.1986 -11.6289 -11.6289 -10.8156 -10.8156 3.1207 3.1207 3.1563 3.1563 11.2266 11.2266 11.2382 11.2382 11.9189 11.9189 k = 0.1324 0.0764 1.3731 ( 1506 PWs) bands (ev): -28.4531 -28.4531 -21.1986 -21.1986 -11.6290 -11.6290 -10.8157 -10.8157 3.1184 3.1184 3.1547 3.1547 11.2563 11.2563 11.2741 11.2741 11.9163 11.9163 k = 0.1471 0.0849 1.3731 ( 1510 PWs) bands (ev): -28.4531 -28.4531 -21.1985 -21.1985 -11.6291 -11.6291 -10.8158 -10.8158 3.1158 3.1158 3.1531 3.1531 11.2884 11.2884 11.3145 11.3145 11.9138 11.9138 k = 0.1618 0.0934 1.3731 ( 1510 PWs) bands (ev): -28.4531 -28.4531 -21.1985 -21.1985 -11.6292 -11.6292 -10.8159 -10.8159 3.1129 3.1129 3.1514 3.1514 11.3227 11.3227 11.3588 11.3588 11.9117 11.9117 k = 0.1765 0.1019 1.3731 ( 1506 PWs) bands (ev): -28.4531 -28.4531 -21.1985 -21.1985 -11.6293 -11.6293 -10.8160 -10.8160 3.1098 3.1098 3.1497 3.1497 11.3588 11.3588 11.4070 11.4070 11.9109 11.9109 k = 0.1912 0.1104 1.3731 ( 1506 PWs) bands (ev): -28.4531 -28.4531 -21.1985 -21.1985 -11.6294 -11.6294 -10.8161 -10.8161 3.1064 3.1064 3.1480 3.1480 11.3961 11.3961 11.4588 11.4588 11.9120 11.9120 k = 0.2059 0.1189 1.3731 ( 1508 PWs) bands (ev): -28.4531 -28.4531 -21.1985 -21.1985 -11.6295 -11.6295 -10.8162 -10.8162 3.1029 3.1029 3.1464 3.1464 11.4336 11.4336 11.5141 11.5141 11.9162 11.9162 k = 0.2206 0.1274 1.3731 ( 1516 PWs) bands (ev): -28.4531 -28.4531 -21.1985 -21.1985 -11.6296 -11.6296 -10.8163 -10.8163 3.0992 3.0992 3.1448 3.1448 11.4702 11.4702 11.5726 11.5726 11.9248 11.9248 k = 0.2353 0.1358 1.3731 ( 1516 PWs) bands (ev): -28.4531 -28.4531 -21.1985 -21.1985 -11.6297 -11.6297 -10.8164 -10.8164 3.0953 3.0953 3.1432 3.1432 11.5044 11.5044 11.6341 11.6341 11.9395 11.9395 k = 0.2500 0.1443 1.3731 ( 1524 PWs) bands (ev): -28.4530 -28.4530 -21.1985 -21.1985 -11.6298 -11.6298 -10.8166 -10.8166 3.0914 3.0914 3.1417 3.1417 11.5345 11.5345 11.6984 11.6984 11.9619 11.9619 k = 0.2647 0.1528 1.3731 ( 1516 PWs) bands (ev): -28.4530 -28.4530 -21.1985 -21.1985 -11.6299 -11.6299 -10.8167 -10.8167 3.0875 3.0875 3.1402 3.1402 11.5592 11.5592 11.7652 11.7652 11.9934 11.9934 k = 0.2794 0.1613 1.3731 ( 1516 PWs) bands (ev): -28.4530 -28.4530 -21.1985 -21.1985 -11.6300 -11.6300 -10.8168 -10.8168 3.0835 3.0835 3.1388 3.1388 11.5780 11.5780 11.8341 11.8341 12.0346 12.0346 k = 0.2941 0.1698 1.3731 ( 1516 PWs) bands (ev): -28.4530 -28.4530 -21.1985 -21.1985 -11.6301 -11.6301 -10.8169 -10.8169 3.0796 3.0796 3.1374 3.1374 11.5910 11.5910 11.9048 11.9048 12.0852 12.0852 k = 0.3088 0.1783 1.3731 ( 1506 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6302 -11.6302 -10.8171 -10.8171 3.0758 3.0758 3.1362 3.1362 11.5991 11.5991 11.9770 11.9770 12.1440 12.1440 k = 0.3235 0.1868 1.3731 ( 1510 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6303 -11.6303 -10.8172 -10.8172 3.0721 3.0721 3.1350 3.1350 11.6034 11.6034 12.0500 12.0500 12.2074 12.2075 k = 0.3382 0.1953 1.3731 ( 1510 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6304 -11.6304 -10.8173 -10.8173 3.0686 3.0686 3.1338 3.1338 11.6048 11.6048 12.1234 12.1234 12.2603 12.2603 k = 0.3529 0.2038 1.3731 ( 1506 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6305 -11.6305 -10.8174 -10.8174 3.0653 3.0653 3.1328 3.1328 11.6043 11.6043 12.1963 12.1963 12.2879 12.2879 k = 0.3676 0.2123 1.3731 ( 1506 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6305 -11.6305 -10.8175 -10.8175 3.0621 3.0621 3.1318 3.1318 11.6026 11.6026 12.2677 12.2677 12.3078 12.3078 k = 0.3824 0.2208 1.3731 ( 1506 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6306 -11.6306 -10.8176 -10.8176 3.0592 3.0592 3.1309 3.1309 11.6001 11.6001 12.3219 12.3219 12.3402 12.3402 k = 0.3971 0.2292 1.3731 ( 1502 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6307 -11.6307 -10.8177 -10.8177 3.0567 3.0567 3.1301 3.1301 11.5972 11.5972 12.3384 12.3384 12.4054 12.4054 k = 0.4118 0.2377 1.3731 ( 1502 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6307 -11.6307 -10.8177 -10.8177 3.0544 3.0544 3.1295 3.1295 11.5943 11.5943 12.3518 12.3518 12.4673 12.4673 k = 0.4265 0.2462 1.3731 ( 1510 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6308 -11.6308 -10.8178 -10.8178 3.0524 3.0524 3.1289 3.1289 11.5915 11.5915 12.3633 12.3633 12.5234 12.5234 k = 0.4412 0.2547 1.3731 ( 1510 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6308 -11.6308 -10.8178 -10.8178 3.0507 3.0507 3.1284 3.1284 11.5890 11.5890 12.3729 12.3729 12.5723 12.5723 k = 0.4559 0.2632 1.3731 ( 1514 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6309 -11.6309 -10.8179 -10.8179 3.0494 3.0494 3.1280 3.1280 11.5869 11.5869 12.3805 12.3805 12.6124 12.6124 k = 0.4706 0.2717 1.3731 ( 1514 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6309 -11.6309 -10.8179 -10.8179 3.0485 3.0485 3.1277 3.1277 11.5854 11.5854 12.3860 12.3860 12.6422 12.6422 k = 0.4853 0.2802 1.3731 ( 1512 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6309 -11.6309 -10.8179 -10.8179 3.0479 3.0479 3.1276 3.1276 11.5845 11.5845 12.3893 12.3893 12.6606 12.6606 k = 0.5000 0.2887 1.3731 ( 1512 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6309 -11.6309 -10.8179 -10.8179 3.0477 3.0477 3.1275 3.1275 11.5842 11.5842 12.3904 12.3904 12.6669 12.6669 k = 0.5000 0.2887 1.3731 ( 1512 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6309 -11.6309 -10.8179 -10.8179 3.0477 3.0477 3.1275 3.1275 11.5842 11.5842 12.3904 12.3904 12.6669 12.6669 k = 0.4917 0.3031 1.3731 ( 1512 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6309 -11.6309 -10.8179 -10.8179 3.0478 3.0478 3.1273 3.1273 11.5856 11.5856 12.3881 12.3881 12.6693 12.6693 k = 0.4833 0.3175 1.3731 ( 1512 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6309 -11.6309 -10.8179 -10.8179 3.0480 3.0480 3.1269 3.1269 11.5899 11.5899 12.3814 12.3814 12.6766 12.6766 k = 0.4750 0.3320 1.3731 ( 1512 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6309 -11.6309 -10.8180 -10.8180 3.0484 3.0484 3.1261 3.1261 11.5970 11.5970 12.3705 12.3705 12.6887 12.6887 k = 0.4667 0.3464 1.3731 ( 1512 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6309 -11.6309 -10.8180 -10.8180 3.0488 3.0488 3.1251 3.1251 11.6068 11.6068 12.3558 12.3558 12.7056 12.7056 k = 0.4583 0.3608 1.3731 ( 1512 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6309 -11.6309 -10.8180 -10.8180 3.0495 3.0495 3.1237 3.1237 11.6193 11.6193 12.3379 12.3379 12.7271 12.7271 k = 0.4500 0.3753 1.3731 ( 1512 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6310 -11.6310 -10.8180 -10.8180 3.0502 3.0502 3.1222 3.1222 11.6344 11.6344 12.3173 12.3173 12.7531 12.7531 k = 0.4417 0.3897 1.3731 ( 1516 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6310 -11.6310 -10.8180 -10.8180 3.0511 3.0511 3.1204 3.1204 11.6519 11.6519 12.2946 12.2946 12.7834 12.7834 k = 0.4333 0.4041 1.3731 ( 1512 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6310 -11.6310 -10.8180 -10.8180 3.0520 3.0520 3.1184 3.1184 11.6716 11.6716 12.2702 12.2702 12.8178 12.8178 k = 0.4250 0.4186 1.3731 ( 1512 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6310 -11.6310 -10.8181 -10.8181 3.0531 3.0531 3.1162 3.1162 11.6933 11.6933 12.2448 12.2448 12.8558 12.8558 k = 0.4167 0.4330 1.3731 ( 1512 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6310 -11.6310 -10.8181 -10.8181 3.0542 3.0542 3.1139 3.1139 11.7168 11.7168 12.2187 12.2187 12.8972 12.8972 k = 0.4083 0.4474 1.3731 ( 1508 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6311 -11.6311 -10.8181 -10.8181 3.0554 3.0554 3.1115 3.1115 11.7418 11.7418 12.1924 12.1924 12.9414 12.9414 k = 0.4000 0.4619 1.3731 ( 1504 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6311 -11.6311 -10.8181 -10.8181 3.0566 3.0566 3.1092 3.1092 11.7679 11.7679 12.1660 12.1660 12.9877 12.9877 k = 0.3917 0.4763 1.3731 ( 1504 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6311 -11.6311 -10.8182 -10.8182 3.0579 3.0579 3.1068 3.1068 11.7948 11.7948 12.1400 12.1400 13.0354 13.0354 k = 0.3833 0.4907 1.3731 ( 1504 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6311 -11.6311 -10.8182 -10.8182 3.0591 3.0591 3.1045 3.1045 11.8220 11.8220 12.1146 12.1146 13.0832 13.0832 k = 0.3750 0.5052 1.3731 ( 1504 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6311 -11.6311 -10.8182 -10.8182 3.0602 3.0602 3.1024 3.1024 11.8489 11.8489 12.0902 12.0902 13.1299 13.1299 k = 0.3667 0.5196 1.3731 ( 1500 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6312 -11.6312 -10.8182 -10.8182 3.0612 3.0612 3.1005 3.1005 11.8751 11.8751 12.0669 12.0669 13.1735 13.1735 k = 0.3583 0.5340 1.3731 ( 1500 PWs) bands (ev): -28.4530 -28.4530 -21.1983 -21.1983 -11.6312 -11.6312 -10.8183 -10.8183 3.0621 3.0621 3.0990 3.0990 11.8996 11.8996 12.0452 12.0452 13.2119 13.2120 k = 0.3500 0.5485 1.3731 ( 1500 PWs) bands (ev): -28.4530 -28.4530 -21.1983 -21.1983 -11.6312 -11.6312 -10.8183 -10.8183 3.0627 3.0627 3.0978 3.0978 11.9213 11.9213 12.0261 12.0261 13.2426 13.2426 k = 0.3417 0.5629 1.3731 ( 1496 PWs) bands (ev): -28.4530 -28.4530 -21.1983 -21.1983 -11.6312 -11.6312 -10.8183 -10.8183 3.0631 3.0631 3.0971 3.0971 11.9377 11.9377 12.0115 12.0115 13.2628 13.2628 k = 0.3333 0.5774 1.3731 ( 1500 PWs) bands (ev): -28.4530 -28.4530 -21.1983 -21.1983 -11.6312 -11.6312 -10.8183 -10.8183 3.0632 3.0632 3.0968 3.0968 11.9441 11.9441 12.0058 12.0058 13.2700 13.2700 k = 0.3333 0.5774 1.3731 ( 1500 PWs) bands (ev): -28.4530 -28.4530 -21.1983 -21.1983 -11.6312 -11.6312 -10.8183 -10.8183 3.0632 3.0632 3.0968 3.0968 11.9441 11.9441 12.0058 12.0058 13.2700 13.2700 k = 0.3248 0.5625 1.3731 ( 1496 PWs) bands (ev): -28.4530 -28.4530 -21.1983 -21.1983 -11.6312 -11.6312 -10.8183 -10.8183 3.0631 3.0631 3.0971 3.0971 11.9385 11.9385 12.0106 12.0106 13.2620 13.2620 k = 0.3162 0.5477 1.3731 ( 1496 PWs) bands (ev): -28.4530 -28.4530 -21.1983 -21.1983 -11.6312 -11.6312 -10.8183 -10.8183 3.0628 3.0628 3.0978 3.0978 11.9265 11.9265 12.0198 12.0198 13.2381 13.2381 k = 0.3077 0.5329 1.3731 ( 1500 PWs) bands (ev): -28.4530 -28.4530 -21.1983 -21.1983 -11.6312 -11.6312 -10.8182 -10.8182 3.0624 3.0624 3.0989 3.0989 11.9130 11.9130 12.0286 12.0286 13.1991 13.1991 k = 0.2991 0.5181 1.3731 ( 1500 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6311 -11.6311 -10.8182 -10.8182 3.0620 3.0620 3.1003 3.1003 11.8998 11.8998 12.0348 12.0348 13.1472 13.1472 k = 0.2906 0.5033 1.3731 ( 1504 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6311 -11.6311 -10.8182 -10.8182 3.0616 3.0616 3.1020 3.1020 11.8873 11.8873 12.0379 12.0379 13.0847 13.0847 k = 0.2821 0.4885 1.3731 ( 1512 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6311 -11.6311 -10.8182 -10.8182 3.0614 3.0614 3.1039 3.1039 11.8761 11.8761 12.0375 12.0375 13.0140 13.0140 k = 0.2735 0.4737 1.3731 ( 1512 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6310 -11.6310 -10.8181 -10.8181 3.0614 3.0614 3.1060 3.1060 11.8660 11.8660 12.0335 12.0335 12.9372 12.9372 k = 0.2650 0.4589 1.3731 ( 1508 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6310 -11.6310 -10.8181 -10.8181 3.0616 3.0616 3.1081 3.1081 11.8573 11.8573 12.0259 12.0259 12.8560 12.8560 k = 0.2564 0.4441 1.3731 ( 1512 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6309 -11.6309 -10.8180 -10.8180 3.0620 3.0620 3.1104 3.1104 11.8499 11.8499 12.0148 12.0148 12.7718 12.7718 k = 0.2479 0.4293 1.3731 ( 1512 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6309 -11.6309 -10.8179 -10.8179 3.0628 3.0628 3.1126 3.1126 11.8438 11.8438 12.0002 12.0002 12.6857 12.6857 k = 0.2393 0.4145 1.3731 ( 1504 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6308 -11.6308 -10.8178 -10.8178 3.0639 3.0639 3.1150 3.1150 11.8389 11.8389 11.9823 11.9823 12.5986 12.5986 k = 0.2308 0.3997 1.3731 ( 1504 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6307 -11.6307 -10.8178 -10.8178 3.0652 3.0652 3.1173 3.1173 11.8352 11.8352 11.9612 11.9612 12.5112 12.5112 k = 0.2222 0.3849 1.3731 ( 1508 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6307 -11.6307 -10.8177 -10.8177 3.0669 3.0669 3.1196 3.1196 11.8324 11.8324 11.9370 11.9370 12.4241 12.4241 k = 0.2137 0.3701 1.3731 ( 1512 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6306 -11.6306 -10.8176 -10.8176 3.0688 3.0688 3.1219 3.1219 11.8303 11.8303 11.9101 11.9101 12.3377 12.3377 k = 0.2051 0.3553 1.3731 ( 1510 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6305 -11.6305 -10.8175 -10.8175 3.0711 3.0711 3.1242 3.1242 11.8274 11.8274 11.8817 11.8817 12.2524 12.2524 k = 0.1966 0.3405 1.3731 ( 1514 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6304 -11.6304 -10.8173 -10.8173 3.0736 3.0736 3.1265 3.1265 11.8186 11.8186 11.8573 11.8573 12.1686 12.1686 k = 0.1880 0.3257 1.3731 ( 1514 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6303 -11.6303 -10.8172 -10.8172 3.0764 3.0764 3.1288 3.1288 11.7933 11.7933 11.8472 11.8472 12.0866 12.0866 k = 0.1795 0.3109 1.3731 ( 1514 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6302 -11.6302 -10.8171 -10.8171 3.0793 3.0793 3.1310 3.1310 11.7570 11.7570 11.8465 11.8465 12.0067 12.0067 k = 0.1709 0.2961 1.3731 ( 1512 PWs) bands (ev): -28.4530 -28.4530 -21.1985 -21.1985 -11.6301 -11.6301 -10.8170 -10.8170 3.0825 3.0825 3.1331 3.1331 11.7161 11.7161 11.8487 11.8487 11.9293 11.9293 k = 0.1624 0.2813 1.3731 ( 1512 PWs) bands (ev): -28.4530 -28.4530 -21.1985 -21.1985 -11.6300 -11.6300 -10.8169 -10.8169 3.0858 3.0858 3.1353 3.1353 11.6727 11.6727 11.8462 11.8462 11.8607 11.8607 k = 0.1538 0.2665 1.3731 ( 1512 PWs) bands (ev): -28.4530 -28.4530 -21.1985 -21.1985 -11.6299 -11.6299 -10.8167 -10.8167 3.0892 3.0892 3.1374 3.1374 11.6279 11.6279 11.7802 11.7802 11.8590 11.8590 k = 0.1453 0.2517 1.3731 ( 1508 PWs) bands (ev): -28.4530 -28.4530 -21.1985 -21.1985 -11.6298 -11.6298 -10.8166 -10.8166 3.0928 3.0928 3.1394 3.1394 11.5824 11.5824 11.7109 11.7109 11.8642 11.8642 k = 0.1368 0.2369 1.3731 ( 1508 PWs) bands (ev): -28.4531 -28.4531 -21.1985 -21.1985 -11.6297 -11.6297 -10.8165 -10.8165 3.0963 3.0963 3.1414 3.1414 11.5368 11.5368 11.6444 11.6444 11.8702 11.8702 k = 0.1282 0.2221 1.3731 ( 1508 PWs) bands (ev): -28.4531 -28.4531 -21.1985 -21.1985 -11.6296 -11.6296 -10.8163 -10.8163 3.0998 3.0998 3.1434 3.1434 11.4918 11.4918 11.5811 11.5811 11.8765 11.8765 k = 0.1197 0.2073 1.3731 ( 1504 PWs) bands (ev): -28.4531 -28.4531 -21.1985 -21.1985 -11.6295 -11.6295 -10.8162 -10.8162 3.1033 3.1033 3.1454 3.1454 11.4480 11.4480 11.5211 11.5211 11.8830 11.8830 k = 0.1111 0.1925 1.3731 ( 1500 PWs) bands (ev): -28.4531 -28.4531 -21.1985 -21.1985 -11.6294 -11.6294 -10.8161 -10.8161 3.1067 3.1067 3.1473 3.1473 11.4057 11.4057 11.4646 11.4646 11.8896 11.8896 k = 0.1026 0.1776 1.3731 ( 1500 PWs) bands (ev): -28.4531 -28.4531 -21.1985 -21.1985 -11.6293 -11.6293 -10.8160 -10.8160 3.1099 3.1099 3.1492 3.1492 11.3653 11.3653 11.4117 11.4117 11.8960 11.8960 k = 0.0940 0.1628 1.3731 ( 1500 PWs) bands (ev): -28.4531 -28.4531 -21.1985 -21.1985 -11.6292 -11.6292 -10.8159 -10.8159 3.1129 3.1129 3.1510 3.1510 11.3272 11.3272 11.3627 11.3627 11.9022 11.9022 k = 0.0855 0.1480 1.3731 ( 1504 PWs) bands (ev): -28.4531 -28.4531 -21.1985 -21.1985 -11.6291 -11.6291 -10.8158 -10.8158 3.1157 3.1157 3.1528 3.1528 11.2916 11.2916 11.3176 11.3176 11.9078 11.9078 k = 0.0769 0.1332 1.3731 ( 1504 PWs) bands (ev): -28.4531 -28.4531 -21.1986 -21.1986 -11.6290 -11.6290 -10.8157 -10.8157 3.1183 3.1183 3.1545 3.1545 11.2586 11.2586 11.2766 11.2766 11.9128 11.9128 k = 0.0684 0.1184 1.3731 ( 1506 PWs) bands (ev): -28.4531 -28.4531 -21.1986 -21.1986 -11.6289 -11.6289 -10.8156 -10.8156 3.1206 3.1206 3.1562 3.1562 11.2283 11.2283 11.2401 11.2401 11.9169 11.9169 k = 0.0598 0.1036 1.3731 ( 1510 PWs) bands (ev): -28.4531 -28.4531 -21.1986 -21.1986 -11.6289 -11.6289 -10.8155 -10.8155 3.1227 3.1227 3.1577 3.1577 11.2001 11.2001 11.2087 11.2087 11.9200 11.9200 k = 0.0513 0.0888 1.3731 ( 1510 PWs) bands (ev): -28.4531 -28.4531 -21.1986 -21.1986 -11.6288 -11.6288 -10.8154 -10.8154 3.1244 3.1244 3.1592 3.1592 11.1737 11.1737 11.1831 11.1831 11.9221 11.9221 k = 0.0427 0.0740 1.3731 ( 1506 PWs) bands (ev): -28.4531 -28.4531 -21.1986 -21.1986 -11.6288 -11.6288 -10.8154 -10.8154 3.1259 3.1259 3.1604 3.1604 11.1502 11.1502 11.1624 11.1624 11.9232 11.9232 k = 0.0342 0.0592 1.3731 ( 1510 PWs) bands (ev): -28.4531 -28.4531 -21.1986 -21.1986 -11.6287 -11.6287 -10.8153 -10.8153 3.1271 3.1271 3.1615 3.1615 11.1305 11.1305 11.1458 11.1458 11.9234 11.9234 k = 0.0256 0.0444 1.3731 ( 1508 PWs) bands (ev): -28.4531 -28.4531 -21.1986 -21.1986 -11.6287 -11.6287 -10.8153 -10.8153 3.1280 3.1280 3.1624 3.1624 11.1150 11.1150 11.1328 11.1328 11.9230 11.9230 k = 0.0171 0.0296 1.3731 ( 1508 PWs) bands (ev): -28.4531 -28.4531 -21.1986 -21.1986 -11.6287 -11.6287 -10.8152 -10.8152 3.1287 3.1287 3.1630 3.1630 11.1038 11.1038 11.1236 11.1236 11.9225 11.9225 k = 0.0085 0.0148 1.3731 ( 1508 PWs) bands (ev): -28.4531 -28.4531 -21.1986 -21.1986 -11.6286 -11.6286 -10.8152 -10.8152 3.1291 3.1291 3.1634 3.1634 11.0971 11.0971 11.1181 11.1181 11.9221 11.9221 k = 0.0000 0.0000 1.3731 ( 1508 PWs) bands (ev): -28.4531 -28.4531 -21.1986 -21.1986 -11.6286 -11.6286 -10.8152 -10.8152 3.1292 3.1292 3.1635 3.1635 11.0949 11.0949 11.1162 11.1162 11.9219 11.9219 k = 0.5000 0.2887 1.3731 ( 1512 PWs) bands (ev): -28.4530 -28.4530 -21.1984 -21.1984 -11.6309 -11.6309 -10.8179 -10.8179 3.0477 3.0477 3.1275 3.1275 11.5842 11.5842 12.3904 12.3904 12.6669 12.6669 k = 0.5000 0.2887 1.3557 ( 1506 PWs) bands (ev): -28.4586 -28.4586 -21.1901 -21.1901 -11.6333 -11.6333 -10.8205 -10.8205 3.0526 3.0526 3.1326 3.1326 11.5582 11.5582 12.3829 12.3829 12.6445 12.6445 k = 0.5000 0.2887 1.3383 ( 1506 PWs) bands (ev): -28.4755 -28.4755 -21.1653 -21.1653 -11.6403 -11.6403 -10.8282 -10.8282 3.0673 3.0673 3.1478 3.1478 11.4842 11.4842 12.3604 12.3604 12.5872 12.5872 k = 0.5000 0.2887 1.3209 ( 1510 PWs) bands (ev): -28.5034 -28.5034 -21.1243 -21.1243 -11.6520 -11.6520 -10.8409 -10.8409 3.0917 3.0917 3.1732 3.1732 11.3718 11.3718 12.3236 12.3236 12.5092 12.5092 k = 0.5000 0.2887 1.3035 ( 1506 PWs) bands (ev): -28.5419 -28.5419 -21.0674 -21.0674 -11.6683 -11.6683 -10.8586 -10.8586 3.1258 3.1258 3.2087 3.2087 11.2318 11.2318 12.2732 12.2732 12.4178 12.4178 k = 0.5000 0.2887 1.2862 ( 1506 PWs) bands (ev): -28.5905 -28.5905 -20.9951 -20.9951 -11.6891 -11.6891 -10.8812 -10.8812 3.1694 3.1694 3.2540 3.2540 11.0731 11.0731 12.2095 12.2095 12.3157 12.3157 k = 0.5000 0.2887 1.2688 ( 1510 PWs) bands (ev): -28.6486 -28.6486 -20.9081 -20.9081 -11.7143 -11.7143 -10.9087 -10.9087 3.2224 3.2224 3.3093 3.3093 10.9023 10.9023 12.1322 12.1322 12.2058 12.2058 k = 0.5000 0.2887 1.2514 ( 1494 PWs) bands (ev): -28.7156 -28.7156 -20.8070 -20.8070 -11.7439 -11.7439 -10.9407 -10.9407 3.2846 3.2846 3.3742 3.3742 10.7239 10.7239 12.0381 12.0381 12.0935 12.0935 k = 0.5000 0.2887 1.2340 ( 1502 PWs) bands (ev): -28.7906 -28.7906 -20.6926 -20.6926 -11.7776 -11.7776 -10.9773 -10.9773 3.3559 3.3559 3.4486 3.4486 10.5409 10.5409 11.9226 11.9226 11.9858 11.9858 k = 0.5000 0.2887 1.2166 ( 1502 PWs) bands (ev): -28.8730 -28.8730 -20.5657 -20.5657 -11.8153 -11.8153 -11.0182 -11.0182 3.4360 3.4360 3.5324 3.5324 10.3552 10.3552 11.7913 11.7913 11.8795 11.8795 k = 0.5000 0.2887 1.1992 ( 1502 PWs) bands (ev): -28.9619 -28.9619 -20.4270 -20.4270 -11.8568 -11.8568 -11.0633 -11.0633 3.5246 3.5246 3.6252 3.6252 10.1683 10.1683 11.6513 11.6513 11.7698 11.7698 k = 0.5000 0.2887 1.1819 ( 1502 PWs) bands (ev): -29.0567 -29.0567 -20.2772 -20.2772 -11.9019 -11.9019 -11.1123 -11.1123 3.6215 3.6215 3.7269 3.7269 9.9812 9.9812 11.5058 11.5058 11.6554 11.6554 k = 0.5000 0.2887 1.1645 ( 1502 PWs) bands (ev): -29.1567 -29.1567 -20.1170 -20.1170 -11.9506 -11.9506 -11.1650 -11.1650 3.7264 3.7264 3.8373 3.8373 9.7945 9.7945 11.3567 11.3567 11.5363 11.5363 k = 0.5000 0.2887 1.1471 ( 1498 PWs) bands (ev): -29.2612 -29.2612 -19.9473 -19.9473 -12.0025 -12.0025 -11.2212 -11.2212 3.8390 3.8390 3.9559 3.9559 9.6088 9.6088 11.2049 11.2049 11.4113 11.4113 k = 0.5000 0.2887 1.1297 ( 1502 PWs) bands (ev): -29.3695 -29.3695 -19.7685 -19.7685 -12.0574 -12.0574 -11.2807 -11.2807 3.9589 3.9589 4.0826 4.0826 9.4245 9.4245 11.0513 11.0513 11.2445 11.2445 k = 0.5000 0.2887 1.1123 ( 1498 PWs) bands (ev): -29.4811 -29.4811 -19.5814 -19.5814 -12.1152 -12.1152 -11.3433 -11.3433 4.0857 4.0857 4.2171 4.2171 9.2417 9.2417 10.8967 10.8967 11.0697 11.0697 k = 0.5000 0.2887 1.0950 ( 1498 PWs) bands (ev): -29.5954 -29.5954 -19.3865 -19.3865 -12.1755 -12.1755 -11.4087 -11.4087 4.2190 4.2190 4.3590 4.3590 9.0609 9.0609 10.7414 10.7414 10.8989 10.8989 k = 0.5000 0.2887 1.0776 ( 1498 PWs) bands (ev): -29.7120 -29.7120 -19.1843 -19.1843 -12.2383 -12.2383 -11.4767 -11.4767 4.3583 4.3583 4.5080 4.5080 8.8821 8.8821 10.5860 10.5860 10.7327 10.7327 k = 0.5000 0.2887 1.0602 ( 1506 PWs) bands (ev): -29.8303 -29.8303 -18.9752 -18.9752 -12.3032 -12.3032 -11.5470 -11.5470 4.5030 4.5030 4.6638 4.6638 8.7054 8.7054 10.4309 10.4309 10.5715 10.5715 k = 0.5000 0.2887 1.0428 ( 1502 PWs) bands (ev): -29.9500 -29.9500 -18.7599 -18.7599 -12.3701 -12.3701 -11.6195 -11.6195 4.6526 4.6526 4.8260 4.8260 8.5310 8.5310 10.2763 10.2763 10.4159 10.4159 k = 0.5000 0.2887 1.0254 ( 1502 PWs) bands (ev): -30.0708 -30.0708 -18.5386 -18.5386 -12.4386 -12.4386 -11.6940 -11.6940 4.8063 4.8063 4.9942 4.9942 8.3591 8.3591 10.1225 10.1225 10.2664 10.2664 k = 0.5000 0.2887 1.0081 ( 1502 PWs) bands (ev): -30.1922 -30.1922 -18.3117 -18.3117 -12.5087 -12.5087 -11.7701 -11.7701 4.9632 4.9632 5.1680 5.1680 8.1895 8.1895 9.9698 9.9698 10.1236 10.1236 k = 0.5000 0.2887 0.9907 ( 1502 PWs) bands (ev): -30.3139 -30.3139 -18.0797 -18.0797 -12.5799 -12.5799 -11.8478 -11.8478 5.1225 5.1225 5.3472 5.3472 8.0225 8.0225 9.8184 9.8184 9.9883 9.9883 k = 0.5000 0.2887 0.9733 ( 1498 PWs) bands (ev): -30.4358 -30.4358 -17.8429 -17.8429 -12.6521 -12.6521 -11.9267 -11.9267 5.2829 5.2829 5.5311 5.5311 7.8580 7.8580 9.6684 9.6684 9.8615 9.8615 k = 0.5000 0.2887 0.9559 ( 1502 PWs) bands (ev): -30.5575 -30.5575 -17.6016 -17.6016 -12.7251 -12.7251 -12.0067 -12.0067 5.4430 5.4430 5.7193 5.7193 7.6962 7.6962 9.5200 9.5200 9.7444 9.7444 k = 0.5000 0.2887 0.9385 ( 1500 PWs) bands (ev): -30.6789 -30.6789 -17.3562 -17.3562 -12.7985 -12.7985 -12.0877 -12.0877 5.6010 5.6010 5.9114 5.9114 7.5370 7.5370 9.3733 9.3733 9.6387 9.6387 k = 0.5000 0.2887 0.9212 ( 1502 PWs) bands (ev): -30.7996 -30.7996 -17.1071 -17.1071 -12.8720 -12.8720 -12.1694 -12.1694 5.7549 5.7549 6.1068 6.1068 7.3804 7.3804 9.2284 9.2284 9.5460 9.5460 k = 0.5000 0.2887 0.9038 ( 1502 PWs) bands (ev): -30.9196 -30.9196 -16.8545 -16.8545 -12.9454 -12.9454 -12.2516 -12.2516 5.9023 5.9023 6.3048 6.3048 7.2267 7.2267 9.0855 9.0855 9.4686 9.4686 k = 0.5000 0.2887 0.8864 ( 1498 PWs) bands (ev): -31.0387 -31.0387 -16.5990 -16.5990 -13.0182 -13.0182 -12.3342 -12.3342 6.0401 6.0401 6.5048 6.5048 7.0758 7.0758 8.9446 8.9446 9.4067 9.4067 k = 0.5000 0.2887 0.8690 ( 1498 PWs) bands (ev): -31.1567 -31.1567 -16.3411 -16.3411 -13.0900 -13.0900 -12.4171 -12.4171 6.1653 6.1653 6.7050 6.7050 6.9286 6.9286 8.8057 8.8057 9.3020 9.3020 k = 0.5000 0.2887 0.8516 ( 1494 PWs) bands (ev): -31.2735 -31.2735 -16.0813 -16.0813 -13.1601 -13.1601 -12.5001 -12.5001 6.2744 6.2744 6.7778 6.7778 6.9121 6.9121 8.6691 8.6691 9.1768 9.1768 k = 0.5000 0.2887 0.8343 ( 1494 PWs) bands (ev): -31.3890 -31.3890 -15.8208 -15.8208 -13.2276 -13.2276 -12.5829 -12.5829 6.3644 6.3644 6.6375 6.6375 7.1108 7.1108 8.5346 8.5346 9.0528 9.0528 k = 0.5000 0.2887 0.8169 ( 1494 PWs) bands (ev): -31.5030 -31.5030 -15.5606 -15.5606 -13.2913 -13.2913 -12.6656 -12.6656 6.4315 6.4315 6.4993 6.4993 7.3094 7.3094 8.4024 8.4024 8.9304 8.9304 k = 0.5000 0.2887 0.7995 ( 1498 PWs) bands (ev): -31.6154 -31.6154 -15.3030 -15.3030 -13.3491 -13.3491 -12.7480 -12.7480 6.3587 6.3587 6.4812 6.4812 7.5048 7.5048 8.2724 8.2724 8.8099 8.8099 k = 0.5000 0.2887 0.7821 ( 1498 PWs) bands (ev): -31.7263 -31.7263 -15.0513 -15.0513 -13.3975 -13.3975 -12.8299 -12.8299 6.2249 6.2249 6.5046 6.5046 7.6950 7.6950 8.1449 8.1449 8.6913 8.6913 k = 0.5000 0.2887 0.7647 ( 1502 PWs) bands (ev): -31.8354 -31.8354 -14.8118 -14.8118 -13.4306 -13.4306 -12.9112 -12.9112 6.0933 6.0933 6.5079 6.5079 7.8777 7.8777 8.0197 8.0197 8.5748 8.5748 k = 0.5000 0.2887 0.7474 ( 1498 PWs) bands (ev): -31.9427 -31.9427 -14.5954 -14.5954 -13.4371 -13.4371 -12.9919 -12.9919 5.9644 5.9644 6.4929 6.4929 7.8968 7.8968 8.0508 8.0508 8.4605 8.4605 k = 0.5000 0.2887 0.7300 ( 1490 PWs) bands (ev): -32.0481 -32.0481 -14.4200 -14.4200 -13.3995 -13.3995 -13.0718 -13.0718 5.8383 5.8383 6.4627 6.4627 7.7765 7.7765 8.2108 8.2108 8.3488 8.3488 k = 0.5000 0.2887 0.7126 ( 1490 PWs) bands (ev): -32.1516 -32.1516 -14.3043 -14.3043 -13.2989 -13.2989 -13.1508 -13.1508 5.7150 5.7150 6.4200 6.4200 7.6586 7.6586 8.2367 8.2367 8.3582 8.3582 k = 0.5000 0.2887 0.6952 ( 1494 PWs) bands (ev): -32.2530 -32.2530 -14.2517 -14.2517 -13.2289 -13.2289 -13.1320 -13.1320 5.5944 5.5944 6.3674 6.3674 7.5432 7.5432 8.1296 8.1296 8.4853 8.4853 k = 0.5000 0.2887 0.6778 ( 1492 PWs) bands (ev): -32.3525 -32.3525 -14.2463 -14.2463 -13.3058 -13.3058 -12.9149 -12.9149 5.4767 5.4767 6.3072 6.3072 7.4303 7.4303 8.0242 8.0242 8.5931 8.5931 k = 0.5000 0.2887 0.6605 ( 1492 PWs) bands (ev): -32.4498 -32.4498 -14.2693 -14.2693 -13.3816 -13.3816 -12.6663 -12.6663 5.3617 5.3617 6.2414 6.2414 7.3199 7.3199 7.9211 7.9211 8.6798 8.6798 k = 0.5000 0.2887 0.6431 ( 1488 PWs) bands (ev): -32.5450 -32.5450 -14.3082 -14.3082 -13.4562 -13.4562 -12.3987 -12.3987 5.2496 5.2496 6.1714 6.1714 7.2119 7.2119 7.8203 7.8203 8.7453 8.7453 k = 0.5000 0.2887 0.6257 ( 1496 PWs) bands (ev): -32.6379 -32.6379 -14.3560 -14.3560 -13.5295 -13.5295 -12.1194 -12.1194 5.1402 5.1402 6.0986 6.0986 7.1066 7.1066 7.7219 7.7219 8.7903 8.7903 k = 0.5000 0.2887 0.6083 ( 1496 PWs) bands (ev): -32.7287 -32.7287 -14.4089 -14.4089 -13.6015 -13.6015 -11.8321 -11.8321 5.0337 5.0337 6.0240 6.0240 7.0037 7.0037 7.6260 7.6260 8.8167 8.8167 k = 0.5000 0.2887 0.5909 ( 1490 PWs) bands (ev): -32.8172 -32.8172 -14.4645 -14.4645 -13.6720 -13.6720 -11.5393 -11.5393 4.9299 4.9299 5.9483 5.9483 6.9034 6.9034 7.5325 7.5325 8.8267 8.8267 k = 0.5000 0.2887 0.5736 ( 1490 PWs) bands (ev): -32.9034 -32.9034 -14.5216 -14.5216 -13.7410 -13.7410 -11.2425 -11.2425 4.8289 4.8289 5.8721 5.8721 6.8056 6.8056 7.4416 7.4416 8.8228 8.8228 k = 0.5000 0.2887 0.5562 ( 1496 PWs) bands (ev): -32.9872 -32.9872 -14.5791 -14.5791 -13.8085 -13.8085 -10.9427 -10.9427 4.7307 4.7307 5.7962 5.7962 6.7103 6.7103 7.3532 7.3532 8.8076 8.8076 k = 0.5000 0.2887 0.5388 ( 1496 PWs) bands (ev): -33.0687 -33.0687 -14.6366 -14.6366 -13.8744 -13.8744 -10.6405 -10.6405 4.6352 4.6352 5.7208 5.7208 6.6176 6.6176 7.2673 7.2673 8.7833 8.7833 k = 0.5000 0.2887 0.5214 ( 1496 PWs) bands (ev): -33.1478 -33.1478 -14.6936 -14.6936 -13.9386 -13.9386 -10.3367 -10.3367 4.5425 4.5425 5.6463 5.6463 6.5273 6.5273 7.1840 7.1840 8.7519 8.7519 k = 0.5000 0.2887 0.5040 ( 1500 PWs) bands (ev): -33.2245 -33.2245 -14.7499 -14.7499 -14.0011 -14.0011 -10.0315 -10.0315 4.4525 4.4525 5.5730 5.5730 6.4396 6.4396 7.1032 7.1032 8.7151 8.7151 k = 0.5000 0.2887 0.4867 ( 1498 PWs) bands (ev): -33.2988 -33.2988 -14.8051 -14.8051 -14.0618 -14.0618 -9.7255 -9.7255 4.3652 4.3652 5.5012 5.5012 6.3544 6.3544 7.0251 7.0251 8.6743 8.6743 k = 0.5000 0.2887 0.4693 ( 1498 PWs) bands (ev): -33.3706 -33.3706 -14.8591 -14.8591 -14.1208 -14.1208 -9.4191 -9.4191 4.2806 4.2806 5.4310 5.4310 6.2716 6.2716 6.9496 6.9496 8.6306 8.6306 k = 0.5000 0.2887 0.4519 ( 1498 PWs) bands (ev): -33.4399 -33.4399 -14.9118 -14.9118 -14.1779 -14.1779 -9.1126 -9.1126 4.1987 4.1987 5.3626 5.3626 6.1913 6.1913 6.8768 6.8768 8.5850 8.5850 k = 0.5000 0.2887 0.4345 ( 1498 PWs) bands (ev): -33.5067 -33.5067 -14.9631 -14.9631 -14.2331 -14.2331 -8.8064 -8.8064 4.1194 4.1194 5.2962 5.2962 6.1135 6.1135 6.8065 6.8065 8.5382 8.5382 k = 0.5000 0.2887 0.4171 ( 1498 PWs) bands (ev): -33.5711 -33.5711 -15.0128 -15.0128 -14.2864 -14.2864 -8.5009 -8.5009 4.0427 4.0427 5.2318 5.2318 6.0380 6.0380 6.7390 6.7390 8.4908 8.4908 k = 0.5000 0.2887 0.3997 ( 1498 PWs) bands (ev): -33.6329 -33.6329 -15.0609 -15.0609 -14.3378 -14.3378 -8.1966 -8.1966 3.9687 3.9687 5.1696 5.1696 5.9650 5.9650 6.6741 6.6741 8.4435 8.4435 k = 0.5000 0.2887 0.3824 ( 1506 PWs) bands (ev): -33.6921 -33.6921 -15.1073 -15.1073 -14.3872 -14.3872 -7.8939 -7.8939 3.8971 3.8971 5.1097 5.1097 5.8942 5.8942 6.6120 6.6120 8.3965 8.3965 k = 0.5000 0.2887 0.3650 ( 1506 PWs) bands (ev): -33.7488 -33.7488 -15.1520 -15.1520 -14.4346 -14.4346 -7.5933 -7.5933 3.8282 3.8282 5.0521 5.0521 5.8259 5.8259 6.5525 6.5525 8.3504 8.3504 k = 0.5000 0.2887 0.3476 ( 1506 PWs) bands (ev): -33.8030 -33.8030 -15.1948 -15.1948 -14.4800 -14.4800 -7.2953 -7.2953 3.7617 3.7617 4.9969 4.9969 5.7598 5.7598 6.4957 6.4957 8.3052 8.3052 k = 0.5000 0.2887 0.3302 ( 1500 PWs) bands (ev): -33.8545 -33.8545 -15.2358 -15.2358 -14.5232 -14.5232 -7.0006 -7.0006 3.6976 3.6976 4.9442 4.9442 5.6960 5.6960 6.4417 6.4417 8.2613 8.2613 k = 0.5000 0.2887 0.3128 ( 1496 PWs) bands (ev): -33.9035 -33.9035 -15.2749 -15.2749 -14.5645 -14.5645 -6.7097 -6.7097 3.6360 3.6360 4.8940 4.8940 5.6344 5.6344 6.3904 6.3904 8.2190 8.2190 k = 0.5000 0.2887 0.2955 ( 1492 PWs) bands (ev): -33.9499 -33.9499 -15.3121 -15.3121 -14.6036 -14.6036 -6.4233 -6.4233 3.5767 3.5767 4.8463 4.8463 5.5751 5.5751 6.3418 6.3418 8.1783 8.1783 k = 0.5000 0.2887 0.2781 ( 1496 PWs) bands (ev): -33.9937 -33.9937 -15.3472 -15.3472 -14.6405 -14.6405 -6.1424 -6.1424 3.5198 3.5198 4.8012 4.8012 5.5180 5.5180 6.2960 6.2960 8.1394 8.1394 k = 0.5000 0.2887 0.2607 ( 1496 PWs) bands (ev): -34.0348 -34.0348 -15.3804 -15.3804 -14.6754 -14.6754 -5.8677 -5.8677 3.4652 3.4652 4.7587 4.7587 5.4631 5.4631 6.2529 6.2529 8.1024 8.1024 k = 0.5000 0.2887 0.2433 ( 1496 PWs) bands (ev): -34.0734 -34.0734 -15.4116 -15.4116 -14.7080 -14.7080 -5.6002 -5.6002 3.4130 3.4130 4.7189 4.7189 5.4104 5.4104 6.2125 6.2125 8.0675 8.0675 k = 0.5000 0.2887 0.2259 ( 1500 PWs) bands (ev): -34.1093 -34.1093 -15.4407 -15.4407 -14.7385 -14.7385 -5.3411 -5.3411 3.3630 3.3630 4.6817 4.6817 5.3600 5.3600 6.1749 6.1749 8.0347 8.0347 k = 0.5000 0.2887 0.2086 ( 1504 PWs) bands (ev): -34.1426 -34.1426 -15.4677 -15.4677 -14.7668 -14.7668 -5.0915 -5.0915 3.3153 3.3153 4.6473 4.6473 5.3119 5.3119 6.1401 6.1401 8.0041 8.0041 k = 0.5000 0.2887 0.1912 ( 1494 PWs) bands (ev): -34.1732 -34.1732 -15.4926 -15.4926 -14.7928 -14.7928 -4.8527 -4.8527 3.2701 3.2701 4.6155 4.6155 5.2662 5.2662 6.1081 6.1081 7.9758 7.9758 k = 0.5000 0.2887 0.1738 ( 1498 PWs) bands (ev): -34.2012 -34.2012 -15.5155 -15.5155 -14.8167 -14.8167 -4.6262 -4.6262 3.2273 3.2273 4.5865 4.5865 5.2230 5.2230 6.0788 6.0788 7.9498 7.9498 k = 0.5000 0.2887 0.1564 ( 1498 PWs) bands (ev): -34.2265 -34.2265 -15.5362 -15.5362 -14.8383 -14.8383 -4.4135 -4.4135 3.1871 3.1871 4.5602 4.5602 5.1826 5.1826 6.0523 6.0523 7.9262 7.9262 k = 0.5000 0.2887 0.1390 ( 1494 PWs) bands (ev): -34.2492 -34.2492 -15.5547 -15.5547 -14.8576 -14.8576 -4.2163 -4.2163 3.1497 3.1497 4.5367 4.5367 5.1451 5.1451 6.0286 6.0286 7.9050 7.9050 k = 0.5000 0.2887 0.1217 ( 1498 PWs) bands (ev): -34.2692 -34.2692 -15.5711 -15.5711 -14.8747 -14.8747 -4.0364 -4.0364 3.1154 3.1154 4.5159 4.5159 5.1109 5.1109 6.0077 6.0077 7.8862 7.8862 k = 0.5000 0.2887 0.1043 ( 1494 PWs) bands (ev): -34.2866 -34.2866 -15.5853 -15.5853 -14.8896 -14.8896 -3.8755 -3.8755 3.0845 3.0845 4.4979 4.4979 5.0801 5.0801 5.9895 5.9895 7.8699 7.8699 k = 0.5000 0.2887 0.0869 ( 1494 PWs) bands (ev): -34.3013 -34.3013 -15.5974 -15.5974 -14.9021 -14.9021 -3.7355 -3.7355 3.0573 3.0573 4.4827 4.4827 5.0533 5.0533 5.9741 5.9741 7.8561 7.8561 k = 0.5000 0.2887 0.0695 ( 1490 PWs) bands (ev): -34.3133 -34.3133 -15.6073 -15.6073 -14.9124 -14.9124 -3.6181 -3.6181 3.0343 3.0343 4.4702 4.4702 5.0307 5.0307 5.9616 5.9616 7.8448 7.8448 k = 0.5000 0.2887 0.0521 ( 1490 PWs) bands (ev): -34.3227 -34.3227 -15.6150 -15.6150 -14.9204 -14.9204 -3.5249 -3.5249 3.0158 3.0158 4.4605 4.4605 5.0127 5.0127 5.9518 5.9518 7.8360 7.8360 k = 0.5000 0.2887 0.0348 ( 1492 PWs) bands (ev): -34.3293 -34.3293 -15.6205 -15.6205 -14.9262 -14.9262 -3.4573 -3.4573 3.0023 3.0023 4.4536 4.4536 4.9996 4.9996 5.9448 5.9448 7.8297 7.8297 k = 0.5000 0.2887 0.0174 ( 1488 PWs) bands (ev): -34.3333 -34.3333 -15.6238 -15.6238 -14.9296 -14.9296 -3.4163 -3.4163 2.9940 2.9940 4.4494 4.4494 4.9916 4.9916 5.9406 5.9406 7.8259 7.8259 k = 0.5000 0.2887-0.0000 ( 1488 PWs) bands (ev): -34.3347 -34.3347 -15.6249 -15.6249 -14.9307 -14.9307 -3.4025 -3.4025 2.9913 2.9913 4.4480 4.4480 4.9890 4.9890 5.9392 5.9392 7.8247 7.8247 k = 0.3333 0.5774-0.0000 ( 1512 PWs) bands (ev): -34.3347 -34.3347 -15.6256 -15.6256 -14.9317 -14.9317 -3.4026 -3.4026 3.5986 3.5986 4.2628 4.2628 4.2786 4.2786 6.8027 6.8027 6.8146 6.8146 k = 0.3333 0.5774 0.0174 ( 1512 PWs) bands (ev): -34.3333 -34.3333 -15.6245 -15.6245 -14.9305 -14.9305 -3.4163 -3.4163 3.6024 3.6024 4.2642 4.2642 4.2800 4.2800 6.8040 6.8040 6.8159 6.8159 k = 0.3333 0.5774 0.0348 ( 1512 PWs) bands (ev): -34.3293 -34.3293 -15.6212 -15.6212 -14.9271 -14.9271 -3.4574 -3.4574 3.6135 3.6135 4.2684 4.2684 4.2843 4.2843 6.8079 6.8079 6.8199 6.8199 k = 0.3333 0.5774 0.0521 ( 1500 PWs) bands (ev): -34.3226 -34.3226 -15.6157 -15.6157 -14.9214 -14.9214 -3.5250 -3.5250 3.6318 3.6318 4.2756 4.2756 4.2915 4.2915 6.8145 6.8145 6.8266 6.8266 k = 0.3333 0.5774 0.0695 ( 1500 PWs) bands (ev): -34.3133 -34.3133 -15.6080 -15.6080 -14.9134 -14.9134 -3.6182 -3.6182 3.6566 3.6566 4.2855 4.2855 4.3015 4.3015 6.8237 6.8237 6.8360 6.8360 k = 0.3333 0.5774 0.0869 ( 1506 PWs) bands (ev): -34.3013 -34.3013 -15.5981 -15.5981 -14.9031 -14.9031 -3.7356 -3.7356 3.6875 3.6875 4.2983 4.2983 4.3144 4.3144 6.8356 6.8356 6.8480 6.8480 k = 0.3333 0.5774 0.1043 ( 1500 PWs) bands (ev): -34.2866 -34.2866 -15.5861 -15.5861 -14.8905 -14.8905 -3.8756 -3.8756 3.7236 3.7236 4.3140 4.3140 4.3302 4.3302 6.8501 6.8501 6.8627 6.8627 k = 0.3333 0.5774 0.1217 ( 1500 PWs) bands (ev): -34.2692 -34.2692 -15.5719 -15.5719 -14.8757 -14.8757 -4.0364 -4.0364 3.7644 3.7644 4.3325 4.3325 4.3488 4.3488 6.8672 6.8672 6.8800 6.8800 k = 0.3333 0.5774 0.1390 ( 1506 PWs) bands (ev): -34.2492 -34.2492 -15.5555 -15.5555 -14.8586 -14.8586 -4.2163 -4.2163 3.8091 3.8091 4.3538 4.3538 4.3702 4.3702 6.8869 6.8869 6.9000 6.9000 k = 0.3333 0.5774 0.1564 ( 1512 PWs) bands (ev): -34.2265 -34.2265 -15.5369 -15.5369 -14.8392 -14.8392 -4.4135 -4.4135 3.8573 3.8573 4.3780 4.3780 4.3945 4.3945 6.9093 6.9093 6.9226 6.9226 k = 0.3333 0.5774 0.1738 ( 1512 PWs) bands (ev): -34.2012 -34.2012 -15.5162 -15.5162 -14.8176 -14.8176 -4.6262 -4.6262 3.9084 3.9084 4.4050 4.4050 4.4217 4.4217 6.9342 6.9342 6.9478 6.9478 k = 0.3333 0.5774 0.1912 ( 1512 PWs) bands (ev): -34.1732 -34.1732 -15.4934 -15.4934 -14.7938 -14.7938 -4.8527 -4.8527 3.9621 3.9621 4.4348 4.4348 4.4517 4.4517 6.9617 6.9617 6.9756 6.9756 k = 0.3333 0.5774 0.2086 ( 1509 PWs) bands (ev): -34.1426 -34.1426 -15.4684 -15.4684 -14.7677 -14.7677 -5.0915 -5.0915 4.0180 4.0180 4.4674 4.4674 4.4845 4.4845 6.9918 6.9918 7.0061 7.0061 k = 0.3333 0.5774 0.2259 ( 1509 PWs) bands (ev): -34.1093 -34.1093 -15.4414 -15.4414 -14.7394 -14.7394 -5.3411 -5.3411 4.0761 4.0761 4.5028 4.5028 4.5201 4.5201 7.0245 7.0245 7.0390 7.0390 k = 0.3333 0.5774 0.2433 ( 1509 PWs) bands (ev): -34.0734 -34.0734 -15.4123 -15.4123 -14.7089 -14.7089 -5.6002 -5.6002 4.1360 4.1360 4.5410 4.5410 4.5585 4.5585 7.0597 7.0597 7.0745 7.0745 k = 0.3333 0.5774 0.2607 ( 1509 PWs) bands (ev): -34.0348 -34.0348 -15.3812 -15.3812 -14.6763 -14.6763 -5.8677 -5.8677 4.1978 4.1978 4.5820 4.5820 4.5998 4.5998 7.0973 7.0973 7.1126 7.1126 k = 0.3333 0.5774 0.2781 ( 1509 PWs) bands (ev): -33.9937 -33.9937 -15.3480 -15.3480 -14.6415 -14.6415 -6.1424 -6.1424 4.2614 4.2614 4.6258 4.6258 4.6438 4.6438 7.1374 7.1374 7.1531 7.1531 k = 0.3333 0.5774 0.2955 ( 1515 PWs) bands (ev): -33.9499 -33.9499 -15.3128 -15.3128 -14.6045 -14.6045 -6.4233 -6.4233 4.3268 4.3268 4.6723 4.6723 4.6906 4.6906 7.1799 7.1799 7.1960 7.1960 k = 0.3333 0.5774 0.3128 ( 1515 PWs) bands (ev): -33.9035 -33.9035 -15.2756 -15.2756 -14.5654 -14.5654 -6.7097 -6.7097 4.3940 4.3940 4.7216 4.7216 4.7402 4.7402 7.2248 7.2248 7.2413 7.2413 k = 0.3333 0.5774 0.3302 ( 1506 PWs) bands (ev): -33.8545 -33.8545 -15.2365 -15.2365 -14.5242 -14.5242 -7.0006 -7.0006 4.4632 4.4632 4.7735 4.7735 4.7926 4.7926 7.2721 7.2721 7.2890 7.2890 k = 0.3333 0.5774 0.3476 ( 1506 PWs) bands (ev): -33.8030 -33.8030 -15.1955 -15.1955 -14.4808 -14.4808 -7.2953 -7.2953 4.5342 4.5342 4.8282 4.8282 4.8476 4.8476 7.3215 7.3215 7.3390 7.3390 k = 0.3333 0.5774 0.3650 ( 1500 PWs) bands (ev): -33.7488 -33.7488 -15.1527 -15.1527 -14.4355 -14.4355 -7.5933 -7.5933 4.6072 4.6072 4.8856 4.8856 4.9054 4.9054 7.3732 7.3732 7.3912 7.3912 k = 0.3333 0.5774 0.3824 ( 1500 PWs) bands (ev): -33.6921 -33.6921 -15.1080 -15.1080 -14.3881 -14.3881 -7.8939 -7.8939 4.6823 4.6823 4.9456 4.9456 4.9658 4.9658 7.4269 7.4269 7.4456 7.4456 k = 0.3333 0.5774 0.3997 ( 1494 PWs) bands (ev): -33.6328 -33.6328 -15.0616 -15.0616 -14.3387 -14.3387 -8.1966 -8.1966 4.7594 4.7594 5.0082 5.0082 5.0289 5.0289 7.4826 7.4826 7.5020 7.5020 k = 0.3333 0.5774 0.4171 ( 1494 PWs) bands (ev): -33.5710 -33.5710 -15.0135 -15.0135 -14.2873 -14.2873 -8.5009 -8.5009 4.8387 4.8387 5.0733 5.0733 5.0946 5.0946 7.5402 7.5402 7.5604 7.5604 k = 0.3333 0.5774 0.4345 ( 1488 PWs) bands (ev): -33.5067 -33.5067 -14.9638 -14.9638 -14.2340 -14.2340 -8.8064 -8.8064 4.9203 4.9203 5.1410 5.1410 5.1628 5.1628 7.5996 7.5996 7.6205 7.6205 k = 0.3333 0.5774 0.4519 ( 1488 PWs) bands (ev): -33.4399 -33.4399 -14.9125 -14.9125 -14.1787 -14.1787 -9.1126 -9.1126 5.0041 5.0041 5.2111 5.2111 5.2336 5.2336 7.6605 7.6605 7.6824 7.6824 k = 0.3333 0.5774 0.4693 ( 1494 PWs) bands (ev): -33.3705 -33.3705 -14.8598 -14.8598 -14.1216 -14.1216 -9.4191 -9.4191 5.0903 5.0903 5.2837 5.2837 5.3069 5.3069 7.7227 7.7227 7.7457 7.7457 k = 0.3333 0.5774 0.4867 ( 1494 PWs) bands (ev): -33.2987 -33.2987 -14.8058 -14.8058 -14.0627 -14.0627 -9.7255 -9.7255 5.1788 5.1788 5.3586 5.3586 5.3825 5.3825 7.7861 7.7861 7.8103 7.8103 k = 0.3333 0.5774 0.5040 ( 1494 PWs) bands (ev): -33.2245 -33.2245 -14.7505 -14.7505 -14.0019 -14.0019 -10.0315 -10.0315 5.2698 5.2698 5.4356 5.4356 5.4605 5.4605 7.8503 7.8503 7.8758 7.8758 k = 0.3333 0.5774 0.5214 ( 1488 PWs) bands (ev): -33.1478 -33.1478 -14.6943 -14.6943 -13.9394 -13.9394 -10.3367 -10.3367 5.3632 5.3632 5.5148 5.5148 5.5407 5.5407 7.9148 7.9148 7.9419 7.9419 k = 0.3333 0.5774 0.5388 ( 1488 PWs) bands (ev): -33.0687 -33.0687 -14.6373 -14.6373 -13.8752 -13.8752 -10.6406 -10.6406 5.4591 5.4591 5.5960 5.5960 5.6230 5.6230 7.9794 7.9794 8.0082 8.0082 k = 0.3333 0.5774 0.5562 ( 1488 PWs) bands (ev): -32.9872 -32.9872 -14.5798 -14.5798 -13.8093 -13.8093 -10.9427 -10.9427 5.5575 5.5575 5.6789 5.6789 5.7072 5.7072 8.0433 8.0433 8.0741 8.0741 k = 0.3333 0.5774 0.5736 ( 1491 PWs) bands (ev): -32.9033 -32.9033 -14.5222 -14.5222 -13.7418 -13.7418 -11.2426 -11.2426 5.6586 5.6586 5.7635 5.7635 5.7932 5.7932 8.1058 8.1058 8.1389 8.1389 k = 0.3333 0.5774 0.5909 ( 1491 PWs) bands (ev): -32.8172 -32.8172 -14.4652 -14.4652 -13.6728 -13.6728 -11.5394 -11.5394 5.7621 5.7621 5.8493 5.8493 5.8808 5.8808 8.1660 8.1660 8.2018 8.2018 k = 0.3333 0.5774 0.6083 ( 1491 PWs) bands (ev): -32.7287 -32.7287 -14.4095 -14.4095 -13.6023 -13.6023 -11.8321 -11.8321 5.8683 5.8683 5.9362 5.9362 5.9696 5.9696 8.2227 8.2227 8.2615 8.2615 k = 0.3333 0.5774 0.6257 ( 1491 PWs) bands (ev): -32.6379 -32.6379 -14.3566 -14.3566 -13.5303 -13.5303 -12.1194 -12.1194 5.9770 5.9770 6.0236 6.0236 6.0593 6.0593 8.2744 8.2744 8.3166 8.3166 k = 0.3333 0.5774 0.6431 ( 1494 PWs) bands (ev): -32.5449 -32.5449 -14.3088 -14.3088 -13.4570 -13.4570 -12.3988 -12.3988 6.0877 6.0877 6.1116 6.1116 6.1494 6.1494 8.3194 8.3194 8.3653 8.3653 k = 0.3333 0.5774 0.6605 ( 1488 PWs) bands (ev): -32.4498 -32.4498 -14.2698 -14.2698 -13.3824 -13.3824 -12.6664 -12.6664 6.1928 6.1928 6.2070 6.2070 6.2391 6.2391 8.3554 8.3554 8.4053 8.4053 k = 0.3333 0.5774 0.6778 ( 1488 PWs) bands (ev): -32.3524 -32.3524 -14.2468 -14.2468 -13.3066 -13.3066 -12.9150 -12.9150 6.2794 6.2794 6.3215 6.3215 6.3277 6.3277 8.3802 8.3802 8.4341 8.4341 k = 0.3333 0.5774 0.6952 ( 1488 PWs) bands (ev): -32.2530 -32.2530 -14.2521 -14.2521 -13.2296 -13.2296 -13.1322 -13.1322 6.3605 6.3605 6.4137 6.4137 6.4408 6.4408 8.3918 8.3918 8.4489 8.4489 k = 0.3333 0.5774 0.7126 ( 1494 PWs) bands (ev): -32.1515 -32.1515 -14.3046 -14.3046 -13.2992 -13.2992 -13.1515 -13.1515 6.4358 6.4358 6.4954 6.4954 6.5631 6.5631 8.3887 8.3887 8.4477 8.4477 k = 0.3333 0.5774 0.7300 ( 1494 PWs) bands (ev): -32.0480 -32.0480 -14.4202 -14.4202 -13.3999 -13.3999 -13.0725 -13.0725 6.5028 6.5028 6.5705 6.5705 6.6882 6.6882 8.3715 8.3715 8.4299 8.4299 k = 0.3333 0.5774 0.7474 ( 1491 PWs) bands (ev): -31.9426 -31.9426 -14.5955 -14.5955 -13.4376 -13.4376 -12.9926 -12.9926 6.5578 6.5578 6.6353 6.6353 6.8161 6.8161 8.3432 8.3432 8.3976 8.3976 k = 0.3333 0.5774 0.7647 ( 1485 PWs) bands (ev): -31.8353 -31.8353 -14.8119 -14.8119 -13.4311 -13.4311 -12.9120 -12.9120 6.5961 6.5961 6.6854 6.6854 6.9468 6.9468 8.3098 8.3098 8.3561 8.3561 k = 0.3333 0.5774 0.7821 ( 1485 PWs) bands (ev): -31.7262 -31.7262 -15.0514 -15.0514 -13.3981 -13.3981 -12.8306 -12.8306 6.6125 6.6125 6.7147 6.7147 7.0803 7.0803 8.2794 8.2794 8.3143 8.3143 k = 0.3333 0.5774 0.7995 ( 1473 PWs) bands (ev): -31.6154 -31.6154 -15.3030 -15.3030 -13.3496 -13.3496 -12.7487 -12.7487 6.6019 6.6019 6.7171 6.7171 7.2166 7.2166 8.2610 8.2610 8.2823 8.2823 k = 0.3333 0.5774 0.8169 ( 1470 PWs) bands (ev): -31.5030 -31.5030 -15.5606 -15.5606 -13.2918 -13.2918 -12.6663 -12.6663 6.5609 6.5609 6.6876 6.6876 7.3557 7.3557 8.2618 8.2618 8.2698 8.2698 k = 0.3333 0.5774 0.8343 ( 1485 PWs) bands (ev): -31.3889 -31.3889 -15.8208 -15.8208 -13.2281 -13.2281 -12.5836 -12.5836 6.4895 6.4895 6.6243 6.6243 7.4976 7.4976 8.2824 8.2824 8.2856 8.2856 k = 0.3333 0.5774 0.8516 ( 1485 PWs) bands (ev): -31.2735 -31.2735 -16.0813 -16.0813 -13.1606 -13.1606 -12.5007 -12.5007 6.3906 6.3906 6.5297 6.5297 7.6423 7.6423 8.3212 8.3212 8.3326 8.3326 k = 0.3333 0.5774 0.8690 ( 1485 PWs) bands (ev): -31.1567 -31.1567 -16.3410 -16.3410 -13.0905 -13.0905 -12.4178 -12.4178 6.2691 6.2691 6.4091 6.4091 7.7898 7.7898 8.3837 8.3837 8.4004 8.4004 k = 0.3333 0.5774 0.8864 ( 1485 PWs) bands (ev): -31.0387 -31.0387 -16.5990 -16.5990 -13.0187 -13.0187 -12.3349 -12.3349 6.1306 6.1306 6.2690 6.2690 7.9401 7.9401 8.4658 8.4658 8.4857 8.4857 k = 0.3333 0.5774 0.9038 ( 1494 PWs) bands (ev): -30.9196 -30.9196 -16.8545 -16.8545 -12.9459 -12.9459 -12.2522 -12.2522 5.9798 5.9798 6.1149 6.1149 8.0932 8.0932 8.5635 8.5635 8.5851 8.5851 k = 0.3333 0.5774 0.9212 ( 1494 PWs) bands (ev): -30.7996 -30.7996 -17.1070 -17.1070 -12.8725 -12.8725 -12.1700 -12.1700 5.8209 5.8209 5.9516 5.9516 8.2491 8.2491 8.6733 8.6733 8.6958 8.6958 k = 0.3333 0.5774 0.9385 ( 1494 PWs) bands (ev): -30.6788 -30.6788 -17.3562 -17.3562 -12.7990 -12.7990 -12.0883 -12.0883 5.6570 5.6570 5.7828 5.7828 8.4079 8.4079 8.7928 8.7928 8.8157 8.8157 k = 0.3333 0.5774 0.9559 ( 1494 PWs) bands (ev): -30.5575 -30.5575 -17.6016 -17.6016 -12.7255 -12.7255 -12.0073 -12.0073 5.4906 5.4906 5.6112 5.6112 8.5695 8.5695 8.9200 8.9200 8.9431 8.9431 k = 0.3333 0.5774 0.9733 ( 1506 PWs) bands (ev): -30.4358 -30.4358 -17.8429 -17.8429 -12.6526 -12.6526 -11.9273 -11.9273 5.3236 5.3236 5.4389 5.4389 8.7339 8.7339 9.0534 9.0534 9.0767 9.0767 k = 0.3333 0.5774 0.9907 ( 1500 PWs) bands (ev): -30.3139 -30.3139 -18.0797 -18.0797 -12.5804 -12.5804 -11.8483 -11.8483 5.1577 5.1577 5.2674 5.2674 8.9011 8.9011 9.1920 9.1920 9.2155 9.2155 k = 0.3333 0.5774 1.0081 ( 1506 PWs) bands (ev): -30.1921 -30.1921 -18.3117 -18.3117 -12.5091 -12.5091 -11.7707 -11.7707 4.9939 4.9939 5.0982 5.0982 9.0711 9.0711 9.3349 9.3349 9.3586 9.3586 k = 0.3333 0.5774 1.0254 ( 1500 PWs) bands (ev): -30.0707 -30.0707 -18.5386 -18.5386 -12.4391 -12.4391 -11.6945 -11.6945 4.8333 4.8333 4.9323 4.9323 9.2440 9.2440 9.4814 9.4814 9.5055 9.5055 k = 0.3333 0.5774 1.0428 ( 1500 PWs) bands (ev): -29.9500 -29.9500 -18.7599 -18.7599 -12.3705 -12.3705 -11.6201 -11.6201 4.6767 4.6767 4.7704 4.7704 9.4196 9.4196 9.6310 9.6310 9.6555 9.6555 k = 0.3333 0.5774 1.0602 ( 1500 PWs) bands (ev): -29.8303 -29.8303 -18.9752 -18.9752 -12.3036 -12.3036 -11.5475 -11.5475 4.5248 4.5248 4.6133 4.6133 9.5981 9.5981 9.7830 9.7830 9.8081 9.8081 k = 0.3333 0.5774 1.0776 ( 1494 PWs) bands (ev): -29.7119 -29.7119 -19.1842 -19.1842 -12.2387 -12.2387 -11.4772 -11.4772 4.3783 4.3783 4.4617 4.4617 9.7794 9.7794 9.9369 9.9369 9.9628 9.9628 k = 0.3333 0.5774 1.0950 ( 1497 PWs) bands (ev): -29.5954 -29.5954 -19.3865 -19.3865 -12.1759 -12.1759 -11.4092 -11.4092 4.2375 4.2375 4.3160 4.3160 9.9634 9.9634 10.0923 10.0923 10.1192 10.1192 k = 0.3333 0.5774 1.1123 ( 1488 PWs) bands (ev): -29.4811 -29.4811 -19.5814 -19.5814 -12.1155 -12.1155 -11.3438 -11.3438 4.1031 4.1031 4.1768 4.1768 10.1503 10.1503 10.2486 10.2486 10.2767 10.2767 k = 0.3333 0.5774 1.1297 ( 1488 PWs) bands (ev): -29.3695 -29.3695 -19.7685 -19.7685 -12.0578 -12.0578 -11.2812 -11.2812 3.9755 3.9755 4.0446 4.0446 10.3399 10.3399 10.4051 10.4051 10.4347 10.4347 k = 0.3333 0.5774 1.1471 ( 1482 PWs) bands (ev): -29.2612 -29.2612 -19.9473 -19.9473 -12.0028 -12.0028 -11.2217 -11.2217 3.8549 3.8549 3.9196 3.9196 10.5321 10.5321 10.5613 10.5613 10.5927 10.5927 k = 0.3333 0.5774 1.1645 ( 1488 PWs) bands (ev): -29.1567 -29.1567 -20.1170 -20.1170 -11.9509 -11.9509 -11.1654 -11.1654 3.7419 3.7419 3.8024 3.8024 10.7163 10.7163 10.7262 10.7262 10.7506 10.7506 k = 0.3333 0.5774 1.1819 ( 1500 PWs) bands (ev): -29.0567 -29.0567 -20.2771 -20.2771 -11.9023 -11.9023 -11.1127 -11.1127 3.6367 3.6367 3.6932 3.6932 10.8693 10.8693 10.9022 10.9022 10.9277 10.9277 k = 0.3333 0.5774 1.1992 ( 1500 PWs) bands (ev): -28.9619 -28.9619 -20.4269 -20.4269 -11.8571 -11.8571 -11.0637 -11.0637 3.5395 3.5395 3.5923 3.5923 11.0191 11.0191 11.0555 11.0555 11.1274 11.1274 k = 0.3333 0.5774 1.2166 ( 1500 PWs) bands (ev): -28.8729 -28.8729 -20.5657 -20.5657 -11.8156 -11.8156 -11.0186 -11.0186 3.4508 3.4508 3.5001 3.5001 11.1645 11.1645 11.2037 11.2037 11.3307 11.3307 k = 0.3333 0.5774 1.2340 ( 1506 PWs) bands (ev): -28.7906 -28.7906 -20.6926 -20.6926 -11.7779 -11.7779 -10.9777 -10.9777 3.3707 3.3707 3.4169 3.4169 11.3040 11.3040 11.3460 11.3460 11.5369 11.5369 k = 0.3333 0.5774 1.2514 ( 1500 PWs) bands (ev): -28.7156 -28.7156 -20.8070 -20.8070 -11.7442 -11.7442 -10.9411 -10.9411 3.2995 3.2995 3.3428 3.3428 11.4356 11.4356 11.4808 11.4808 11.7458 11.7458 k = 0.3333 0.5774 1.2688 ( 1500 PWs) bands (ev): -28.6486 -28.6486 -20.9081 -20.9081 -11.7146 -11.7146 -10.9090 -10.9090 3.2374 3.2374 3.2782 3.2782 11.5575 11.5575 11.6058 11.6058 11.9575 11.9575 k = 0.3333 0.5774 1.2862 ( 1500 PWs) bands (ev): -28.5905 -28.5905 -20.9951 -20.9951 -11.6894 -11.6894 -10.8816 -10.8816 3.1845 3.1845 3.2231 3.2231 11.6671 11.6671 11.7187 11.7187 12.1719 12.1719 k = 0.3333 0.5774 1.3035 ( 1500 PWs) bands (ev): -28.5419 -28.5419 -21.0673 -21.0673 -11.6686 -11.6686 -10.8590 -10.8590 3.1410 3.1410 3.1779 3.1779 11.7619 11.7619 11.8166 11.8166 12.3890 12.3890 k = 0.3333 0.5774 1.3209 ( 1494 PWs) bands (ev): -28.5034 -28.5034 -21.1242 -21.1242 -11.6523 -11.6523 -10.8412 -10.8412 3.1071 3.1071 3.1425 3.1425 11.8393 11.8393 11.8968 11.8968 12.6087 12.6087 k = 0.3333 0.5774 1.3383 ( 1494 PWs) bands (ev): -28.4755 -28.4755 -21.1653 -21.1653 -11.6406 -11.6406 -10.8285 -10.8285 3.0827 3.0827 3.1172 3.1172 11.8967 11.8967 11.9565 11.9565 12.8311 12.8311 k = 0.3333 0.5774 1.3557 ( 1488 PWs) bands (ev): -28.4586 -28.4586 -21.1901 -21.1901 -11.6335 -11.6335 -10.8208 -10.8208 3.0681 3.0681 3.1019 3.1019 11.9322 11.9322 11.9933 11.9933 13.0559 13.0559 k = 0.3333 0.5774 1.3731 ( 1500 PWs) bands (ev): -28.4530 -28.4530 -21.1983 -21.1983 -11.6312 -11.6312 -10.8183 -10.8183 3.0632 3.0632 3.0968 3.0968 11.9441 11.9441 12.0058 12.0058 13.2700 13.2700 Writing output data file Sr.save init_run : 0.10s CPU 3.87s WALL ( 1 calls) electrons : 39.55s CPU 40.65s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 39.54s CPU 40.65s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.01s WALL ( 432 calls) cegterg : 36.60s CPU 37.34s WALL ( 509 calls) Called by sum_band: Called by *egterg: h_psi : 20.95s CPU 21.22s WALL ( 8269 calls) s_psi : 0.36s CPU 0.41s WALL ( 8269 calls) g_psi : 0.03s CPU 0.04s WALL ( 7328 calls) cdiaghg : 14.71s CPU 15.26s WALL ( 7760 calls) cegterg:over : 0.85s CPU 0.94s WALL ( 7328 calls) cegterg:upda : 0.74s CPU 0.77s WALL ( 7328 calls) cegterg:last : 0.45s CPU 0.41s WALL ( 1498 calls) cdiaghg:chol : 0.83s CPU 0.83s WALL ( 7760 calls) cdiaghg:inve : 0.18s CPU 0.18s WALL ( 7760 calls) cdiaghg:para : 1.09s CPU 1.12s WALL ( 15520 calls) Called by h_psi: h_psi:vloc : 19.97s CPU 20.19s WALL ( 8269 calls) h_psi:vnl : 0.96s CPU 1.00s WALL ( 8269 calls) add_vuspsi : 0.44s CPU 0.51s WALL ( 8269 calls) General routines calbec : 0.51s CPU 0.48s WALL ( 8269 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 18.91s CPU 19.10s WALL ( 333400 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.06s CPU 0.17s WALL ( 864 calls) Parallel routines fft_scatter : 7.90s CPU 7.73s WALL ( 333423 calls) PWSCF : 0m45.52s CPU 1m 1.31s WALL This run was terminated on: 21:17:21 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=