Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:44:51 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./TiB2.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 20 20 5 474 458 71 Max 21 21 6 479 471 80 Sum 745 733 211 17123 16763 2761 bravais-lattice index = 14 lattice parameter (alat) = 5.7244 a.u. unit-cell volume = 173.1292 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.724358 celldm(2)= 1.000000 celldm(3)= 1.065760 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.065760 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.938298 ) PseudoPot. # 1 for B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 atomic species valence mass pseudopotential B 3.00 10.81100 B( 1.00) Ti 12.00 47.86700 Ti( 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= 486 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020576 k( 2) = ( 0.0083333 0.0048113 -0.0000000), wk = 0.0020576 k( 3) = ( 0.0166667 0.0096225 -0.0000000), wk = 0.0020576 k( 4) = ( 0.0250000 0.0144338 -0.0000000), wk = 0.0020576 k( 5) = ( 0.0333333 0.0192450 -0.0000000), wk = 0.0020576 k( 6) = ( 0.0416667 0.0240563 -0.0000000), wk = 0.0020576 k( 7) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0020576 k( 8) = ( 0.0583333 0.0336788 -0.0000000), wk = 0.0020576 k( 9) = ( 0.0666667 0.0384900 -0.0000000), wk = 0.0020576 k( 10) = ( 0.0750000 0.0433013 -0.0000000), wk = 0.0020576 k( 11) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0020576 k( 12) = ( 0.0916667 0.0529238 -0.0000000), wk = 0.0020576 k( 13) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0020576 k( 14) = ( 0.1083333 0.0625463 -0.0000000), wk = 0.0020576 k( 15) = ( 0.1166667 0.0673575 -0.0000000), wk = 0.0020576 k( 16) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0020576 k( 17) = ( 0.1333333 0.0769800 -0.0000000), wk = 0.0020576 k( 18) = ( 0.1416667 0.0817913 -0.0000000), wk = 0.0020576 k( 19) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0020576 k( 20) = ( 0.1583333 0.0914138 -0.0000000), wk = 0.0020576 k( 21) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0020576 k( 22) = ( 0.1750000 0.1010363 -0.0000000), wk = 0.0020576 k( 23) = ( 0.1833333 0.1058475 -0.0000000), wk = 0.0020576 k( 24) = ( 0.1916667 0.1106588 -0.0000000), wk = 0.0020576 k( 25) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0020576 k( 26) = ( 0.2083333 0.1202813 -0.0000000), wk = 0.0020576 k( 27) = ( 0.2166667 0.1250926 -0.0000000), wk = 0.0020576 k( 28) = ( 0.2250000 0.1299038 -0.0000000), wk = 0.0020576 k( 29) = ( 0.2333333 0.1347151 -0.0000000), wk = 0.0020576 k( 30) = ( 0.2416667 0.1395263 -0.0000000), wk = 0.0020576 k( 31) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0020576 k( 32) = ( 0.2583333 0.1491488 -0.0000000), wk = 0.0020576 k( 33) = ( 0.2666667 0.1539601 -0.0000000), wk = 0.0020576 k( 34) = ( 0.2750000 0.1587713 -0.0000000), wk = 0.0020576 k( 35) = ( 0.2833333 0.1635826 -0.0000000), wk = 0.0020576 k( 36) = ( 0.2916667 0.1683938 -0.0000000), wk = 0.0020576 k( 37) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0020576 k( 38) = ( 0.3083333 0.1780163 -0.0000000), wk = 0.0020576 k( 39) = ( 0.3166667 0.1828276 -0.0000000), wk = 0.0020576 k( 40) = ( 0.3250000 0.1876388 -0.0000000), wk = 0.0020576 k( 41) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0020576 k( 42) = ( 0.3416667 0.1972613 -0.0000000), wk = 0.0020576 k( 43) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0020576 k( 44) = ( 0.3583333 0.2068838 -0.0000000), wk = 0.0020576 k( 45) = ( 0.3666667 0.2116951 -0.0000000), wk = 0.0020576 k( 46) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0020576 k( 47) = ( 0.3833333 0.2213176 -0.0000000), wk = 0.0020576 k( 48) = ( 0.3916667 0.2261289 -0.0000000), wk = 0.0020576 k( 49) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0020576 k( 50) = ( 0.4083333 0.2357514 -0.0000000), wk = 0.0020576 k( 51) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0020576 k( 52) = ( 0.4250000 0.2453739 -0.0000000), wk = 0.0020576 k( 53) = ( 0.4333333 0.2501851 -0.0000000), wk = 0.0020576 k( 54) = ( 0.4416667 0.2549964 -0.0000000), wk = 0.0020576 k( 55) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0020576 k( 56) = ( 0.4583333 0.2646189 -0.0000000), wk = 0.0020576 k( 57) = ( 0.4666667 0.2694301 -0.0000000), wk = 0.0020576 k( 58) = ( 0.4750000 0.2742414 -0.0000000), wk = 0.0020576 k( 59) = ( 0.4833333 0.2790526 -0.0000000), wk = 0.0020576 k( 60) = ( 0.4916667 0.2838639 -0.0000000), wk = 0.0020576 k( 61) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0020576 k( 62) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0020576 k( 63) = ( 0.4952381 0.2969230 -0.0000000), wk = 0.0020576 k( 64) = ( 0.4904762 0.3051709 -0.0000000), wk = 0.0020576 k( 65) = ( 0.4857143 0.3134187 -0.0000000), wk = 0.0020576 k( 66) = ( 0.4809524 0.3216666 -0.0000000), wk = 0.0020576 k( 67) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0020576 k( 68) = ( 0.4714286 0.3381623 -0.0000000), wk = 0.0020576 k( 69) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0020576 k( 70) = ( 0.4619048 0.3546580 -0.0000000), wk = 0.0020576 k( 71) = ( 0.4571429 0.3629059 -0.0000000), wk = 0.0020576 k( 72) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0020576 k( 73) = ( 0.4476191 0.3794016 -0.0000000), wk = 0.0020576 k( 74) = ( 0.4428571 0.3876495 -0.0000000), wk = 0.0020576 k( 75) = ( 0.4380952 0.3958973 -0.0000000), wk = 0.0020576 k( 76) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0020576 k( 77) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0020576 k( 78) = ( 0.4238095 0.4206409 -0.0000000), wk = 0.0020576 k( 79) = ( 0.4190476 0.4288888 -0.0000000), wk = 0.0020576 k( 80) = ( 0.4142857 0.4371366 -0.0000000), wk = 0.0020576 k( 81) = ( 0.4095238 0.4453845 -0.0000000), wk = 0.0020576 k( 82) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0020576 k( 83) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0020576 k( 84) = ( 0.3952381 0.4701281 -0.0000000), wk = 0.0020576 k( 85) = ( 0.3904762 0.4783759 -0.0000000), wk = 0.0020576 k( 86) = ( 0.3857143 0.4866238 -0.0000000), wk = 0.0020576 k( 87) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0020576 k( 88) = ( 0.3761905 0.5031195 -0.0000000), wk = 0.0020576 k( 89) = ( 0.3714286 0.5113674 -0.0000000), wk = 0.0020576 k( 90) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0020576 k( 91) = ( 0.3619048 0.5278631 -0.0000000), wk = 0.0020576 k( 92) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0020576 k( 93) = ( 0.3523810 0.5443588 -0.0000000), wk = 0.0020576 k( 94) = ( 0.3476190 0.5526067 -0.0000000), wk = 0.0020576 k( 95) = ( 0.3428571 0.5608545 -0.0000000), wk = 0.0020576 k( 96) = ( 0.3380952 0.5691024 -0.0000000), wk = 0.0020576 k( 97) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0020576 k( 98) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0020576 k( 99) = ( 0.3285714 0.5691024 -0.0000000), wk = 0.0020576 k( 100) = ( 0.3238095 0.5608545 -0.0000000), wk = 0.0020576 k( 101) = ( 0.3190476 0.5526067 -0.0000000), wk = 0.0020576 k( 102) = ( 0.3142857 0.5443588 -0.0000000), wk = 0.0020576 k( 103) = ( 0.3095238 0.5361110 -0.0000000), wk = 0.0020576 k( 104) = ( 0.3047619 0.5278631 -0.0000000), wk = 0.0020576 k( 105) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0020576 k( 106) = ( 0.2952381 0.5113674 -0.0000000), wk = 0.0020576 k( 107) = ( 0.2904762 0.5031195 -0.0000000), wk = 0.0020576 k( 108) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0020576 k( 109) = ( 0.2809524 0.4866238 -0.0000000), wk = 0.0020576 k( 110) = ( 0.2761905 0.4783759 -0.0000000), wk = 0.0020576 k( 111) = ( 0.2714286 0.4701281 -0.0000000), wk = 0.0020576 k( 112) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0020576 k( 113) = ( 0.2619048 0.4536324 -0.0000000), wk = 0.0020576 k( 114) = ( 0.2571429 0.4453845 -0.0000000), wk = 0.0020576 k( 115) = ( 0.2523809 0.4371366 -0.0000000), wk = 0.0020576 k( 116) = ( 0.2476191 0.4288888 -0.0000000), wk = 0.0020576 k( 117) = ( 0.2428571 0.4206409 -0.0000000), wk = 0.0020576 k( 118) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0020576 k( 119) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0020576 k( 120) = ( 0.2285714 0.3958973 -0.0000000), wk = 0.0020576 k( 121) = ( 0.2238095 0.3876495 -0.0000000), wk = 0.0020576 k( 122) = ( 0.2190476 0.3794016 -0.0000000), wk = 0.0020576 k( 123) = ( 0.2142857 0.3711537 -0.0000000), wk = 0.0020576 k( 124) = ( 0.2095238 0.3629059 -0.0000000), wk = 0.0020576 k( 125) = ( 0.2047619 0.3546580 -0.0000000), wk = 0.0020576 k( 126) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0020576 k( 127) = ( 0.1952381 0.3381623 -0.0000000), wk = 0.0020576 k( 128) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0020576 k( 129) = ( 0.1857143 0.3216666 -0.0000000), wk = 0.0020576 k( 130) = ( 0.1809524 0.3134187 -0.0000000), wk = 0.0020576 k( 131) = ( 0.1761905 0.3051709 -0.0000000), wk = 0.0020576 k( 132) = ( 0.1714286 0.2969230 -0.0000000), wk = 0.0020576 k( 133) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0020576 k( 134) = ( 0.1619048 0.2804273 -0.0000000), wk = 0.0020576 k( 135) = ( 0.1571429 0.2721794 -0.0000000), wk = 0.0020576 k( 136) = ( 0.1523809 0.2639315 -0.0000000), wk = 0.0020576 k( 137) = ( 0.1476191 0.2556837 -0.0000000), wk = 0.0020576 k( 138) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0020576 k( 139) = ( 0.1380952 0.2391880 -0.0000000), wk = 0.0020576 k( 140) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0020576 k( 141) = ( 0.1285714 0.2226922 -0.0000000), wk = 0.0020576 k( 142) = ( 0.1238095 0.2144444 -0.0000000), wk = 0.0020576 k( 143) = ( 0.1190476 0.2061965 -0.0000000), wk = 0.0020576 k( 144) = ( 0.1142857 0.1979487 -0.0000000), wk = 0.0020576 k( 145) = ( 0.1095238 0.1897008 -0.0000000), wk = 0.0020576 k( 146) = ( 0.1047619 0.1814529 -0.0000000), wk = 0.0020576 k( 147) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0020576 k( 148) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0020576 k( 149) = ( 0.0904762 0.1567094 -0.0000000), wk = 0.0020576 k( 150) = ( 0.0857143 0.1484615 -0.0000000), wk = 0.0020576 k( 151) = ( 0.0809524 0.1402136 -0.0000000), wk = 0.0020576 k( 152) = ( 0.0761905 0.1319658 -0.0000000), wk = 0.0020576 k( 153) = ( 0.0714286 0.1237179 -0.0000000), wk = 0.0020576 k( 154) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0020576 k( 155) = ( 0.0619048 0.1072222 -0.0000000), wk = 0.0020576 k( 156) = ( 0.0571429 0.0989743 -0.0000000), wk = 0.0020576 k( 157) = ( 0.0523810 0.0907265 -0.0000000), wk = 0.0020576 k( 158) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0020576 k( 159) = ( 0.0428571 0.0742307 -0.0000000), wk = 0.0020576 k( 160) = ( 0.0380952 0.0659829 -0.0000000), wk = 0.0020576 k( 161) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0020576 k( 162) = ( 0.0285714 0.0494872 -0.0000000), wk = 0.0020576 k( 163) = ( 0.0238095 0.0412393 -0.0000000), wk = 0.0020576 k( 164) = ( 0.0190476 0.0329914 -0.0000000), wk = 0.0020576 k( 165) = ( 0.0142857 0.0247436 -0.0000000), wk = 0.0020576 k( 166) = ( 0.0095238 0.0164957 -0.0000000), wk = 0.0020576 k( 167) = ( 0.0047619 0.0082479 -0.0000000), wk = 0.0020576 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020576 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020576 k( 170) = ( 0.0000000 0.0000000 0.0095745), wk = 0.0020576 k( 171) = ( 0.0000000 0.0000000 0.0191489), wk = 0.0020576 k( 172) = ( 0.0000000 0.0000000 0.0287234), wk = 0.0020576 k( 173) = ( 0.0000000 0.0000000 0.0382979), wk = 0.0020576 k( 174) = ( 0.0000000 0.0000000 0.0478723), wk = 0.0020576 k( 175) = ( 0.0000000 0.0000000 0.0574468), wk = 0.0020576 k( 176) = ( 0.0000000 0.0000000 0.0670213), wk = 0.0020576 k( 177) = ( 0.0000000 0.0000000 0.0765957), wk = 0.0020576 k( 178) = ( 0.0000000 0.0000000 0.0861702), wk = 0.0020576 k( 179) = ( 0.0000000 0.0000000 0.0957447), wk = 0.0020576 k( 180) = ( 0.0000000 0.0000000 0.1053191), wk = 0.0020576 k( 181) = ( 0.0000000 0.0000000 0.1148936), wk = 0.0020576 k( 182) = ( 0.0000000 0.0000000 0.1244680), wk = 0.0020576 k( 183) = ( 0.0000000 0.0000000 0.1340425), wk = 0.0020576 k( 184) = ( 0.0000000 0.0000000 0.1436170), wk = 0.0020576 k( 185) = ( 0.0000000 0.0000000 0.1531914), wk = 0.0020576 k( 186) = ( 0.0000000 0.0000000 0.1627659), wk = 0.0020576 k( 187) = ( 0.0000000 0.0000000 0.1723404), wk = 0.0020576 k( 188) = ( 0.0000000 0.0000000 0.1819148), wk = 0.0020576 k( 189) = ( 0.0000000 0.0000000 0.1914893), wk = 0.0020576 k( 190) = ( 0.0000000 0.0000000 0.2010638), wk = 0.0020576 k( 191) = ( 0.0000000 0.0000000 0.2106382), wk = 0.0020576 k( 192) = ( 0.0000000 0.0000000 0.2202127), wk = 0.0020576 k( 193) = ( 0.0000000 0.0000000 0.2297872), wk = 0.0020576 k( 194) = ( 0.0000000 0.0000000 0.2393616), wk = 0.0020576 k( 195) = ( 0.0000000 0.0000000 0.2489361), wk = 0.0020576 k( 196) = ( 0.0000000 0.0000000 0.2585106), wk = 0.0020576 k( 197) = ( 0.0000000 0.0000000 0.2680850), wk = 0.0020576 k( 198) = ( 0.0000000 0.0000000 0.2776595), wk = 0.0020576 k( 199) = ( 0.0000000 0.0000000 0.2872340), wk = 0.0020576 k( 200) = ( 0.0000000 0.0000000 0.2968084), wk = 0.0020576 k( 201) = ( 0.0000000 0.0000000 0.3063829), wk = 0.0020576 k( 202) = ( 0.0000000 0.0000000 0.3159574), wk = 0.0020576 k( 203) = ( 0.0000000 0.0000000 0.3255318), wk = 0.0020576 k( 204) = ( 0.0000000 0.0000000 0.3351063), wk = 0.0020576 k( 205) = ( 0.0000000 0.0000000 0.3446808), wk = 0.0020576 k( 206) = ( 0.0000000 0.0000000 0.3542552), wk = 0.0020576 k( 207) = ( 0.0000000 0.0000000 0.3638297), wk = 0.0020576 k( 208) = ( 0.0000000 0.0000000 0.3734041), wk = 0.0020576 k( 209) = ( 0.0000000 0.0000000 0.3829786), wk = 0.0020576 k( 210) = ( 0.0000000 0.0000000 0.3925531), wk = 0.0020576 k( 211) = ( 0.0000000 0.0000000 0.4021275), wk = 0.0020576 k( 212) = ( 0.0000000 0.0000000 0.4117020), wk = 0.0020576 k( 213) = ( 0.0000000 0.0000000 0.4212765), wk = 0.0020576 k( 214) = ( 0.0000000 0.0000000 0.4308509), wk = 0.0020576 k( 215) = ( 0.0000000 0.0000000 0.4404254), wk = 0.0020576 k( 216) = ( 0.0000000 0.0000000 0.4499999), wk = 0.0020576 k( 217) = ( 0.0000000 0.0000000 0.4595743), wk = 0.0020576 k( 218) = ( 0.0000000 0.0000000 0.4691488), wk = 0.0020576 k( 219) = ( 0.0000000 0.0000000 0.4691488), wk = 0.0020576 k( 220) = ( 0.0083333 0.0048113 0.4691488), wk = 0.0020576 k( 221) = ( 0.0166667 0.0096225 0.4691488), wk = 0.0020576 k( 222) = ( 0.0250000 0.0144338 0.4691488), wk = 0.0020576 k( 223) = ( 0.0333333 0.0192450 0.4691488), wk = 0.0020576 k( 224) = ( 0.0416667 0.0240563 0.4691488), wk = 0.0020576 k( 225) = ( 0.0500000 0.0288675 0.4691488), wk = 0.0020576 k( 226) = ( 0.0583333 0.0336788 0.4691488), wk = 0.0020576 k( 227) = ( 0.0666667 0.0384900 0.4691488), wk = 0.0020576 k( 228) = ( 0.0750000 0.0433013 0.4691488), wk = 0.0020576 k( 229) = ( 0.0833333 0.0481125 0.4691488), wk = 0.0020576 k( 230) = ( 0.0916667 0.0529238 0.4691488), wk = 0.0020576 k( 231) = ( 0.1000000 0.0577350 0.4691488), wk = 0.0020576 k( 232) = ( 0.1083333 0.0625463 0.4691488), wk = 0.0020576 k( 233) = ( 0.1166667 0.0673575 0.4691488), wk = 0.0020576 k( 234) = ( 0.1250000 0.0721688 0.4691488), wk = 0.0020576 k( 235) = ( 0.1333333 0.0769800 0.4691488), wk = 0.0020576 k( 236) = ( 0.1416667 0.0817913 0.4691488), wk = 0.0020576 k( 237) = ( 0.1500000 0.0866025 0.4691488), wk = 0.0020576 k( 238) = ( 0.1583333 0.0914138 0.4691488), wk = 0.0020576 k( 239) = ( 0.1666667 0.0962250 0.4691488), wk = 0.0020576 k( 240) = ( 0.1750000 0.1010363 0.4691488), wk = 0.0020576 k( 241) = ( 0.1833333 0.1058475 0.4691488), wk = 0.0020576 k( 242) = ( 0.1916667 0.1106588 0.4691488), wk = 0.0020576 k( 243) = ( 0.2000000 0.1154701 0.4691488), wk = 0.0020576 k( 244) = ( 0.2083333 0.1202813 0.4691488), wk = 0.0020576 k( 245) = ( 0.2166667 0.1250926 0.4691488), wk = 0.0020576 k( 246) = ( 0.2250000 0.1299038 0.4691488), wk = 0.0020576 k( 247) = ( 0.2333333 0.1347151 0.4691488), wk = 0.0020576 k( 248) = ( 0.2416667 0.1395263 0.4691488), wk = 0.0020576 k( 249) = ( 0.2500000 0.1443376 0.4691488), wk = 0.0020576 k( 250) = ( 0.2583333 0.1491488 0.4691488), wk = 0.0020576 k( 251) = ( 0.2666667 0.1539601 0.4691488), wk = 0.0020576 k( 252) = ( 0.2750000 0.1587713 0.4691488), wk = 0.0020576 k( 253) = ( 0.2833333 0.1635826 0.4691488), wk = 0.0020576 k( 254) = ( 0.2916667 0.1683938 0.4691488), wk = 0.0020576 k( 255) = ( 0.3000000 0.1732051 0.4691488), wk = 0.0020576 k( 256) = ( 0.3083333 0.1780163 0.4691488), wk = 0.0020576 k( 257) = ( 0.3166667 0.1828276 0.4691488), wk = 0.0020576 k( 258) = ( 0.3250000 0.1876388 0.4691488), wk = 0.0020576 k( 259) = ( 0.3333333 0.1924501 0.4691488), wk = 0.0020576 k( 260) = ( 0.3416667 0.1972613 0.4691488), wk = 0.0020576 k( 261) = ( 0.3500000 0.2020726 0.4691488), wk = 0.0020576 k( 262) = ( 0.3583333 0.2068838 0.4691488), wk = 0.0020576 k( 263) = ( 0.3666667 0.2116951 0.4691488), wk = 0.0020576 k( 264) = ( 0.3750000 0.2165064 0.4691488), wk = 0.0020576 k( 265) = ( 0.3833333 0.2213176 0.4691488), wk = 0.0020576 k( 266) = ( 0.3916667 0.2261289 0.4691488), wk = 0.0020576 k( 267) = ( 0.4000000 0.2309401 0.4691488), wk = 0.0020576 k( 268) = ( 0.4083333 0.2357514 0.4691488), wk = 0.0020576 k( 269) = ( 0.4166667 0.2405626 0.4691488), wk = 0.0020576 k( 270) = ( 0.4250000 0.2453739 0.4691488), wk = 0.0020576 k( 271) = ( 0.4333333 0.2501851 0.4691488), wk = 0.0020576 k( 272) = ( 0.4416667 0.2549964 0.4691488), wk = 0.0020576 k( 273) = ( 0.4500000 0.2598076 0.4691488), wk = 0.0020576 k( 274) = ( 0.4583333 0.2646189 0.4691488), wk = 0.0020576 k( 275) = ( 0.4666667 0.2694301 0.4691488), wk = 0.0020576 k( 276) = ( 0.4750000 0.2742414 0.4691488), wk = 0.0020576 k( 277) = ( 0.4833333 0.2790526 0.4691488), wk = 0.0020576 k( 278) = ( 0.4916667 0.2838639 0.4691488), wk = 0.0020576 k( 279) = ( 0.5000000 0.2886751 0.4691488), wk = 0.0020576 k( 280) = ( 0.5000000 0.2886751 0.4691488), wk = 0.0020576 k( 281) = ( 0.4952381 0.2969230 0.4691488), wk = 0.0020576 k( 282) = ( 0.4904762 0.3051709 0.4691488), wk = 0.0020576 k( 283) = ( 0.4857143 0.3134187 0.4691488), wk = 0.0020576 k( 284) = ( 0.4809524 0.3216666 0.4691488), wk = 0.0020576 k( 285) = ( 0.4761905 0.3299144 0.4691488), wk = 0.0020576 k( 286) = ( 0.4714286 0.3381623 0.4691488), wk = 0.0020576 k( 287) = ( 0.4666667 0.3464102 0.4691488), wk = 0.0020576 k( 288) = ( 0.4619048 0.3546580 0.4691488), wk = 0.0020576 k( 289) = ( 0.4571429 0.3629059 0.4691488), wk = 0.0020576 k( 290) = ( 0.4523810 0.3711537 0.4691488), wk = 0.0020576 k( 291) = ( 0.4476191 0.3794016 0.4691488), wk = 0.0020576 k( 292) = ( 0.4428571 0.3876495 0.4691488), wk = 0.0020576 k( 293) = ( 0.4380952 0.3958973 0.4691488), wk = 0.0020576 k( 294) = ( 0.4333333 0.4041452 0.4691488), wk = 0.0020576 k( 295) = ( 0.4285714 0.4123930 0.4691488), wk = 0.0020576 k( 296) = ( 0.4238095 0.4206409 0.4691488), wk = 0.0020576 k( 297) = ( 0.4190476 0.4288888 0.4691488), wk = 0.0020576 k( 298) = ( 0.4142857 0.4371366 0.4691488), wk = 0.0020576 k( 299) = ( 0.4095238 0.4453845 0.4691488), wk = 0.0020576 k( 300) = ( 0.4047619 0.4536324 0.4691488), wk = 0.0020576 k( 301) = ( 0.4000000 0.4618802 0.4691488), wk = 0.0020576 k( 302) = ( 0.3952381 0.4701281 0.4691488), wk = 0.0020576 k( 303) = ( 0.3904762 0.4783759 0.4691488), wk = 0.0020576 k( 304) = ( 0.3857143 0.4866238 0.4691488), wk = 0.0020576 k( 305) = ( 0.3809524 0.4948717 0.4691488), wk = 0.0020576 k( 306) = ( 0.3761905 0.5031195 0.4691488), wk = 0.0020576 k( 307) = ( 0.3714286 0.5113674 0.4691488), wk = 0.0020576 k( 308) = ( 0.3666667 0.5196152 0.4691488), wk = 0.0020576 k( 309) = ( 0.3619048 0.5278631 0.4691488), wk = 0.0020576 k( 310) = ( 0.3571429 0.5361110 0.4691488), wk = 0.0020576 k( 311) = ( 0.3523810 0.5443588 0.4691488), wk = 0.0020576 k( 312) = ( 0.3476190 0.5526067 0.4691488), wk = 0.0020576 k( 313) = ( 0.3428571 0.5608545 0.4691488), wk = 0.0020576 k( 314) = ( 0.3380952 0.5691024 0.4691488), wk = 0.0020576 k( 315) = ( 0.3333333 0.5773503 0.4691488), wk = 0.0020576 k( 316) = ( 0.3333333 0.5773503 0.4691488), wk = 0.0020576 k( 317) = ( 0.3285714 0.5691024 0.4691488), wk = 0.0020576 k( 318) = ( 0.3238095 0.5608545 0.4691488), wk = 0.0020576 k( 319) = ( 0.3190476 0.5526067 0.4691488), wk = 0.0020576 k( 320) = ( 0.3142857 0.5443588 0.4691488), wk = 0.0020576 k( 321) = ( 0.3095238 0.5361110 0.4691488), wk = 0.0020576 k( 322) = ( 0.3047619 0.5278631 0.4691488), wk = 0.0020576 k( 323) = ( 0.3000000 0.5196152 0.4691488), wk = 0.0020576 k( 324) = ( 0.2952381 0.5113674 0.4691488), wk = 0.0020576 k( 325) = ( 0.2904762 0.5031195 0.4691488), wk = 0.0020576 k( 326) = ( 0.2857143 0.4948717 0.4691488), wk = 0.0020576 k( 327) = ( 0.2809524 0.4866238 0.4691488), wk = 0.0020576 k( 328) = ( 0.2761905 0.4783759 0.4691488), wk = 0.0020576 k( 329) = ( 0.2714286 0.4701281 0.4691488), wk = 0.0020576 k( 330) = ( 0.2666667 0.4618802 0.4691488), wk = 0.0020576 k( 331) = ( 0.2619048 0.4536324 0.4691488), wk = 0.0020576 k( 332) = ( 0.2571429 0.4453845 0.4691488), wk = 0.0020576 k( 333) = ( 0.2523809 0.4371366 0.4691488), wk = 0.0020576 k( 334) = ( 0.2476191 0.4288888 0.4691488), wk = 0.0020576 k( 335) = ( 0.2428571 0.4206409 0.4691488), wk = 0.0020576 k( 336) = ( 0.2380952 0.4123931 0.4691488), wk = 0.0020576 k( 337) = ( 0.2333333 0.4041452 0.4691488), wk = 0.0020576 k( 338) = ( 0.2285714 0.3958973 0.4691488), wk = 0.0020576 k( 339) = ( 0.2238095 0.3876495 0.4691488), wk = 0.0020576 k( 340) = ( 0.2190476 0.3794016 0.4691488), wk = 0.0020576 k( 341) = ( 0.2142857 0.3711537 0.4691488), wk = 0.0020576 k( 342) = ( 0.2095238 0.3629059 0.4691488), wk = 0.0020576 k( 343) = ( 0.2047619 0.3546580 0.4691488), wk = 0.0020576 k( 344) = ( 0.2000000 0.3464102 0.4691488), wk = 0.0020576 k( 345) = ( 0.1952381 0.3381623 0.4691488), wk = 0.0020576 k( 346) = ( 0.1904762 0.3299144 0.4691488), wk = 0.0020576 k( 347) = ( 0.1857143 0.3216666 0.4691488), wk = 0.0020576 k( 348) = ( 0.1809524 0.3134187 0.4691488), wk = 0.0020576 k( 349) = ( 0.1761905 0.3051709 0.4691488), wk = 0.0020576 k( 350) = ( 0.1714286 0.2969230 0.4691488), wk = 0.0020576 k( 351) = ( 0.1666667 0.2886751 0.4691488), wk = 0.0020576 k( 352) = ( 0.1619048 0.2804273 0.4691488), wk = 0.0020576 k( 353) = ( 0.1571429 0.2721794 0.4691488), wk = 0.0020576 k( 354) = ( 0.1523809 0.2639315 0.4691488), wk = 0.0020576 k( 355) = ( 0.1476191 0.2556837 0.4691488), wk = 0.0020576 k( 356) = ( 0.1428571 0.2474358 0.4691488), wk = 0.0020576 k( 357) = ( 0.1380952 0.2391880 0.4691488), wk = 0.0020576 k( 358) = ( 0.1333333 0.2309401 0.4691488), wk = 0.0020576 k( 359) = ( 0.1285714 0.2226922 0.4691488), wk = 0.0020576 k( 360) = ( 0.1238095 0.2144444 0.4691488), wk = 0.0020576 k( 361) = ( 0.1190476 0.2061965 0.4691488), wk = 0.0020576 k( 362) = ( 0.1142857 0.1979487 0.4691488), wk = 0.0020576 k( 363) = ( 0.1095238 0.1897008 0.4691488), wk = 0.0020576 k( 364) = ( 0.1047619 0.1814529 0.4691488), wk = 0.0020576 k( 365) = ( 0.1000000 0.1732051 0.4691488), wk = 0.0020576 k( 366) = ( 0.0952381 0.1649572 0.4691488), wk = 0.0020576 k( 367) = ( 0.0904762 0.1567094 0.4691488), wk = 0.0020576 k( 368) = ( 0.0857143 0.1484615 0.4691488), wk = 0.0020576 k( 369) = ( 0.0809524 0.1402136 0.4691488), wk = 0.0020576 k( 370) = ( 0.0761905 0.1319658 0.4691488), wk = 0.0020576 k( 371) = ( 0.0714286 0.1237179 0.4691488), wk = 0.0020576 k( 372) = ( 0.0666667 0.1154701 0.4691488), wk = 0.0020576 k( 373) = ( 0.0619048 0.1072222 0.4691488), wk = 0.0020576 k( 374) = ( 0.0571429 0.0989743 0.4691488), wk = 0.0020576 k( 375) = ( 0.0523810 0.0907265 0.4691488), wk = 0.0020576 k( 376) = ( 0.0476191 0.0824786 0.4691488), wk = 0.0020576 k( 377) = ( 0.0428571 0.0742307 0.4691488), wk = 0.0020576 k( 378) = ( 0.0380952 0.0659829 0.4691488), wk = 0.0020576 k( 379) = ( 0.0333333 0.0577350 0.4691488), wk = 0.0020576 k( 380) = ( 0.0285714 0.0494872 0.4691488), wk = 0.0020576 k( 381) = ( 0.0238095 0.0412393 0.4691488), wk = 0.0020576 k( 382) = ( 0.0190476 0.0329914 0.4691488), wk = 0.0020576 k( 383) = ( 0.0142857 0.0247436 0.4691488), wk = 0.0020576 k( 384) = ( 0.0095238 0.0164957 0.4691488), wk = 0.0020576 k( 385) = ( 0.0047619 0.0082479 0.4691488), wk = 0.0020576 k( 386) = ( 0.0000000 0.0000000 0.4691488), wk = 0.0020576 k( 387) = ( 0.5000000 0.2886751 0.4691488), wk = 0.0020576 k( 388) = ( 0.5000000 0.2886751 0.4595743), wk = 0.0020576 k( 389) = ( 0.5000000 0.2886751 0.4499999), wk = 0.0020576 k( 390) = ( 0.5000000 0.2886751 0.4404254), wk = 0.0020576 k( 391) = ( 0.5000000 0.2886751 0.4308509), wk = 0.0020576 k( 392) = ( 0.5000000 0.2886751 0.4212765), wk = 0.0020576 k( 393) = ( 0.5000000 0.2886751 0.4117020), wk = 0.0020576 k( 394) = ( 0.5000000 0.2886751 0.4021275), wk = 0.0020576 k( 395) = ( 0.5000000 0.2886751 0.3925531), wk = 0.0020576 k( 396) = ( 0.5000000 0.2886751 0.3829786), wk = 0.0020576 k( 397) = ( 0.5000000 0.2886751 0.3734041), wk = 0.0020576 k( 398) = ( 0.5000000 0.2886751 0.3638297), wk = 0.0020576 k( 399) = ( 0.5000000 0.2886751 0.3542552), wk = 0.0020576 k( 400) = ( 0.5000000 0.2886751 0.3446808), wk = 0.0020576 k( 401) = ( 0.5000000 0.2886751 0.3351063), wk = 0.0020576 k( 402) = ( 0.5000000 0.2886751 0.3255318), wk = 0.0020576 k( 403) = ( 0.5000000 0.2886751 0.3159574), wk = 0.0020576 k( 404) = ( 0.5000000 0.2886751 0.3063829), wk = 0.0020576 k( 405) = ( 0.5000000 0.2886751 0.2968084), wk = 0.0020576 k( 406) = ( 0.5000000 0.2886751 0.2872340), wk = 0.0020576 k( 407) = ( 0.5000000 0.2886751 0.2776595), wk = 0.0020576 k( 408) = ( 0.5000000 0.2886751 0.2680850), wk = 0.0020576 k( 409) = ( 0.5000000 0.2886751 0.2585106), wk = 0.0020576 k( 410) = ( 0.5000000 0.2886751 0.2489361), wk = 0.0020576 k( 411) = ( 0.5000000 0.2886751 0.2393616), wk = 0.0020576 k( 412) = ( 0.5000000 0.2886751 0.2297872), wk = 0.0020576 k( 413) = ( 0.5000000 0.2886751 0.2202127), wk = 0.0020576 k( 414) = ( 0.5000000 0.2886751 0.2106382), wk = 0.0020576 k( 415) = ( 0.5000000 0.2886751 0.2010638), wk = 0.0020576 k( 416) = ( 0.5000000 0.2886751 0.1914893), wk = 0.0020576 k( 417) = ( 0.5000000 0.2886751 0.1819148), wk = 0.0020576 k( 418) = ( 0.5000000 0.2886751 0.1723404), wk = 0.0020576 k( 419) = ( 0.5000000 0.2886751 0.1627659), wk = 0.0020576 k( 420) = ( 0.5000000 0.2886751 0.1531914), wk = 0.0020576 k( 421) = ( 0.5000000 0.2886751 0.1436170), wk = 0.0020576 k( 422) = ( 0.5000000 0.2886751 0.1340425), wk = 0.0020576 k( 423) = ( 0.5000000 0.2886751 0.1244680), wk = 0.0020576 k( 424) = ( 0.5000000 0.2886751 0.1148936), wk = 0.0020576 k( 425) = ( 0.5000000 0.2886751 0.1053191), wk = 0.0020576 k( 426) = ( 0.5000000 0.2886751 0.0957447), wk = 0.0020576 k( 427) = ( 0.5000000 0.2886751 0.0861702), wk = 0.0020576 k( 428) = ( 0.5000000 0.2886751 0.0765957), wk = 0.0020576 k( 429) = ( 0.5000000 0.2886751 0.0670213), wk = 0.0020576 k( 430) = ( 0.5000000 0.2886751 0.0574468), wk = 0.0020576 k( 431) = ( 0.5000000 0.2886751 0.0478723), wk = 0.0020576 k( 432) = ( 0.5000000 0.2886751 0.0382979), wk = 0.0020576 k( 433) = ( 0.5000000 0.2886751 0.0287234), wk = 0.0020576 k( 434) = ( 0.5000000 0.2886751 0.0191489), wk = 0.0020576 k( 435) = ( 0.5000000 0.2886751 0.0095745), wk = 0.0020576 k( 436) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0020576 k( 437) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0020576 k( 438) = ( 0.3333333 0.5773503 0.0095745), wk = 0.0020576 k( 439) = ( 0.3333333 0.5773503 0.0191489), wk = 0.0020576 k( 440) = ( 0.3333333 0.5773503 0.0287234), wk = 0.0020576 k( 441) = ( 0.3333333 0.5773503 0.0382979), wk = 0.0020576 k( 442) = ( 0.3333333 0.5773503 0.0478723), wk = 0.0020576 k( 443) = ( 0.3333333 0.5773503 0.0574468), wk = 0.0020576 k( 444) = ( 0.3333333 0.5773503 0.0670213), wk = 0.0020576 k( 445) = ( 0.3333333 0.5773503 0.0765957), wk = 0.0020576 k( 446) = ( 0.3333333 0.5773503 0.0861702), wk = 0.0020576 k( 447) = ( 0.3333333 0.5773503 0.0957447), wk = 0.0020576 k( 448) = ( 0.3333333 0.5773503 0.1053191), wk = 0.0020576 k( 449) = ( 0.3333333 0.5773503 0.1148936), wk = 0.0020576 k( 450) = ( 0.3333333 0.5773503 0.1244680), wk = 0.0020576 k( 451) = ( 0.3333333 0.5773503 0.1340425), wk = 0.0020576 k( 452) = ( 0.3333333 0.5773503 0.1436170), wk = 0.0020576 k( 453) = ( 0.3333333 0.5773503 0.1531914), wk = 0.0020576 k( 454) = ( 0.3333333 0.5773503 0.1627659), wk = 0.0020576 k( 455) = ( 0.3333333 0.5773503 0.1723404), wk = 0.0020576 k( 456) = ( 0.3333333 0.5773503 0.1819148), wk = 0.0020576 k( 457) = ( 0.3333333 0.5773503 0.1914893), wk = 0.0020576 k( 458) = ( 0.3333333 0.5773503 0.2010638), wk = 0.0020576 k( 459) = ( 0.3333333 0.5773503 0.2106382), wk = 0.0020576 k( 460) = ( 0.3333333 0.5773503 0.2202127), wk = 0.0020576 k( 461) = ( 0.3333333 0.5773503 0.2297872), wk = 0.0020576 k( 462) = ( 0.3333333 0.5773503 0.2393616), wk = 0.0020576 k( 463) = ( 0.3333333 0.5773503 0.2489361), wk = 0.0020576 k( 464) = ( 0.3333333 0.5773503 0.2585106), wk = 0.0020576 k( 465) = ( 0.3333333 0.5773503 0.2680850), wk = 0.0020576 k( 466) = ( 0.3333333 0.5773503 0.2776595), wk = 0.0020576 k( 467) = ( 0.3333333 0.5773503 0.2872340), wk = 0.0020576 k( 468) = ( 0.3333333 0.5773503 0.2968084), wk = 0.0020576 k( 469) = ( 0.3333333 0.5773503 0.3063829), wk = 0.0020576 k( 470) = ( 0.3333333 0.5773503 0.3159574), wk = 0.0020576 k( 471) = ( 0.3333333 0.5773503 0.3255318), wk = 0.0020576 k( 472) = ( 0.3333333 0.5773503 0.3351063), wk = 0.0020576 k( 473) = ( 0.3333333 0.5773503 0.3446808), wk = 0.0020576 k( 474) = ( 0.3333333 0.5773503 0.3542552), wk = 0.0020576 k( 475) = ( 0.3333333 0.5773503 0.3638297), wk = 0.0020576 k( 476) = ( 0.3333333 0.5773503 0.3734041), wk = 0.0020576 k( 477) = ( 0.3333333 0.5773503 0.3829786), wk = 0.0020576 k( 478) = ( 0.3333333 0.5773503 0.3925531), wk = 0.0020576 k( 479) = ( 0.3333333 0.5773503 0.4021275), wk = 0.0020576 k( 480) = ( 0.3333333 0.5773503 0.4117020), wk = 0.0020576 k( 481) = ( 0.3333333 0.5773503 0.4212765), wk = 0.0020576 k( 482) = ( 0.3333333 0.5773503 0.4308509), wk = 0.0020576 k( 483) = ( 0.3333333 0.5773503 0.4404254), wk = 0.0020576 k( 484) = ( 0.3333333 0.5773503 0.4499999), wk = 0.0020576 k( 485) = ( 0.3333333 0.5773503 0.4595743), wk = 0.0020576 k( 486) = ( 0.3333333 0.5773503 0.4691488), wk = 0.0020576 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020576 k( 2) = ( 0.0083333 -0.0000000 -0.0000000), wk = 0.0020576 k( 3) = ( 0.0166667 -0.0000000 -0.0000000), wk = 0.0020576 k( 4) = ( 0.0250000 -0.0000000 -0.0000000), wk = 0.0020576 k( 5) = ( 0.0333333 -0.0000000 -0.0000000), wk = 0.0020576 k( 6) = ( 0.0416667 -0.0000000 -0.0000000), wk = 0.0020576 k( 7) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0020576 k( 8) = ( 0.0583333 -0.0000000 -0.0000000), wk = 0.0020576 k( 9) = ( 0.0666667 -0.0000000 -0.0000000), wk = 0.0020576 k( 10) = ( 0.0750000 0.0000000 0.0000000), wk = 0.0020576 k( 11) = ( 0.0833333 -0.0000000 0.0000000), wk = 0.0020576 k( 12) = ( 0.0916667 -0.0000000 -0.0000000), wk = 0.0020576 k( 13) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0020576 k( 14) = ( 0.1083333 0.0000000 -0.0000000), wk = 0.0020576 k( 15) = ( 0.1166667 -0.0000000 -0.0000000), wk = 0.0020576 k( 16) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0020576 k( 17) = ( 0.1333333 -0.0000000 -0.0000000), wk = 0.0020576 k( 18) = ( 0.1416667 -0.0000000 -0.0000000), wk = 0.0020576 k( 19) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0020576 k( 20) = ( 0.1583333 -0.0000000 -0.0000000), wk = 0.0020576 k( 21) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0020576 k( 22) = ( 0.1750000 -0.0000000 -0.0000000), wk = 0.0020576 k( 23) = ( 0.1833333 -0.0000000 -0.0000000), wk = 0.0020576 k( 24) = ( 0.1916667 -0.0000000 -0.0000000), wk = 0.0020576 k( 25) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0020576 k( 26) = ( 0.2083333 -0.0000000 -0.0000000), wk = 0.0020576 k( 27) = ( 0.2166667 -0.0000000 -0.0000000), wk = 0.0020576 k( 28) = ( 0.2250000 -0.0000000 -0.0000000), wk = 0.0020576 k( 29) = ( 0.2333333 -0.0000000 -0.0000000), wk = 0.0020576 k( 30) = ( 0.2416667 -0.0000000 -0.0000000), wk = 0.0020576 k( 31) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0020576 k( 32) = ( 0.2583333 -0.0000000 -0.0000000), wk = 0.0020576 k( 33) = ( 0.2666667 -0.0000000 -0.0000000), wk = 0.0020576 k( 34) = ( 0.2750000 -0.0000000 -0.0000000), wk = 0.0020576 k( 35) = ( 0.2833333 -0.0000000 -0.0000000), wk = 0.0020576 k( 36) = ( 0.2916667 0.0000000 -0.0000000), wk = 0.0020576 k( 37) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0020576 k( 38) = ( 0.3083333 -0.0000000 -0.0000000), wk = 0.0020576 k( 39) = ( 0.3166667 -0.0000000 -0.0000000), wk = 0.0020576 k( 40) = ( 0.3250000 -0.0000000 -0.0000000), wk = 0.0020576 k( 41) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0020576 k( 42) = ( 0.3416667 -0.0000000 -0.0000000), wk = 0.0020576 k( 43) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0020576 k( 44) = ( 0.3583333 -0.0000000 -0.0000000), wk = 0.0020576 k( 45) = ( 0.3666667 -0.0000000 -0.0000000), wk = 0.0020576 k( 46) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0020576 k( 47) = ( 0.3833333 -0.0000000 -0.0000000), wk = 0.0020576 k( 48) = ( 0.3916667 -0.0000000 -0.0000000), wk = 0.0020576 k( 49) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0020576 k( 50) = ( 0.4083333 -0.0000000 -0.0000000), wk = 0.0020576 k( 51) = ( 0.4166667 -0.0000000 -0.0000000), wk = 0.0020576 k( 52) = ( 0.4250000 -0.0000000 -0.0000000), wk = 0.0020576 k( 53) = ( 0.4333333 -0.0000000 -0.0000000), wk = 0.0020576 k( 54) = ( 0.4416667 -0.0000000 -0.0000000), wk = 0.0020576 k( 55) = ( 0.4500000 -0.0000000 -0.0000000), wk = 0.0020576 k( 56) = ( 0.4583333 -0.0000000 -0.0000000), wk = 0.0020576 k( 57) = ( 0.4666667 -0.0000000 -0.0000000), wk = 0.0020576 k( 58) = ( 0.4750000 -0.0000000 -0.0000000), wk = 0.0020576 k( 59) = ( 0.4833333 -0.0000000 -0.0000000), wk = 0.0020576 k( 60) = ( 0.4916667 -0.0000000 -0.0000000), wk = 0.0020576 k( 61) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0020576 k( 62) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0020576 k( 63) = ( 0.4952381 0.0095238 -0.0000000), wk = 0.0020576 k( 64) = ( 0.4904762 0.0190476 -0.0000000), wk = 0.0020576 k( 65) = ( 0.4857143 0.0285714 -0.0000000), wk = 0.0020576 k( 66) = ( 0.4809524 0.0380952 -0.0000000), wk = 0.0020576 k( 67) = ( 0.4761905 0.0476190 -0.0000000), wk = 0.0020576 k( 68) = ( 0.4714286 0.0571429 -0.0000000), wk = 0.0020576 k( 69) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0020576 k( 70) = ( 0.4619048 0.0761905 -0.0000000), wk = 0.0020576 k( 71) = ( 0.4571429 0.0857143 -0.0000000), wk = 0.0020576 k( 72) = ( 0.4523810 0.0952381 0.0000000), wk = 0.0020576 k( 73) = ( 0.4476191 0.1047619 -0.0000000), wk = 0.0020576 k( 74) = ( 0.4428571 0.1142857 -0.0000000), wk = 0.0020576 k( 75) = ( 0.4380952 0.1238095 -0.0000000), wk = 0.0020576 k( 76) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0020576 k( 77) = ( 0.4285714 0.1428571 -0.0000000), wk = 0.0020576 k( 78) = ( 0.4238095 0.1523809 -0.0000000), wk = 0.0020576 k( 79) = ( 0.4190476 0.1619048 -0.0000000), wk = 0.0020576 k( 80) = ( 0.4142857 0.1714286 -0.0000000), wk = 0.0020576 k( 81) = ( 0.4095238 0.1809524 0.0000000), wk = 0.0020576 k( 82) = ( 0.4047619 0.1904762 -0.0000000), wk = 0.0020576 k( 83) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0020576 k( 84) = ( 0.3952381 0.2095238 0.0000000), wk = 0.0020576 k( 85) = ( 0.3904762 0.2190476 0.0000000), wk = 0.0020576 k( 86) = ( 0.3857143 0.2285714 0.0000000), wk = 0.0020576 k( 87) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0020576 k( 88) = ( 0.3761905 0.2476191 -0.0000000), wk = 0.0020576 k( 89) = ( 0.3714286 0.2571429 -0.0000000), wk = 0.0020576 k( 90) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0020576 k( 91) = ( 0.3619048 0.2761905 -0.0000000), wk = 0.0020576 k( 92) = ( 0.3571429 0.2857143 -0.0000000), wk = 0.0020576 k( 93) = ( 0.3523810 0.2952381 0.0000000), wk = 0.0020576 k( 94) = ( 0.3476190 0.3047619 -0.0000000), wk = 0.0020576 k( 95) = ( 0.3428571 0.3142857 -0.0000000), wk = 0.0020576 k( 96) = ( 0.3380952 0.3238095 0.0000000), wk = 0.0020576 k( 97) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0020576 k( 98) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0020576 k( 99) = ( 0.3285714 0.3285714 0.0000000), wk = 0.0020576 k( 100) = ( 0.3238095 0.3238095 0.0000000), wk = 0.0020576 k( 101) = ( 0.3190476 0.3190476 0.0000000), wk = 0.0020576 k( 102) = ( 0.3142857 0.3142857 -0.0000000), wk = 0.0020576 k( 103) = ( 0.3095238 0.3095238 -0.0000000), wk = 0.0020576 k( 104) = ( 0.3047619 0.3047619 -0.0000000), wk = 0.0020576 k( 105) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0020576 k( 106) = ( 0.2952381 0.2952381 -0.0000000), wk = 0.0020576 k( 107) = ( 0.2904762 0.2904762 -0.0000000), wk = 0.0020576 k( 108) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0020576 k( 109) = ( 0.2809524 0.2809524 -0.0000000), wk = 0.0020576 k( 110) = ( 0.2761905 0.2761905 -0.0000000), wk = 0.0020576 k( 111) = ( 0.2714286 0.2714286 0.0000000), wk = 0.0020576 k( 112) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0020576 k( 113) = ( 0.2619048 0.2619048 -0.0000000), wk = 0.0020576 k( 114) = ( 0.2571429 0.2571429 -0.0000000), wk = 0.0020576 k( 115) = ( 0.2523809 0.2523809 -0.0000000), wk = 0.0020576 k( 116) = ( 0.2476191 0.2476191 0.0000000), wk = 0.0020576 k( 117) = ( 0.2428571 0.2428571 -0.0000000), wk = 0.0020576 k( 118) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0020576 k( 119) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0020576 k( 120) = ( 0.2285714 0.2285714 0.0000000), wk = 0.0020576 k( 121) = ( 0.2238095 0.2238095 -0.0000000), wk = 0.0020576 k( 122) = ( 0.2190476 0.2190476 0.0000000), wk = 0.0020576 k( 123) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0020576 k( 124) = ( 0.2095238 0.2095238 -0.0000000), wk = 0.0020576 k( 125) = ( 0.2047619 0.2047619 -0.0000000), wk = 0.0020576 k( 126) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0020576 k( 127) = ( 0.1952381 0.1952381 0.0000000), wk = 0.0020576 k( 128) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0020576 k( 129) = ( 0.1857143 0.1857143 -0.0000000), wk = 0.0020576 k( 130) = ( 0.1809524 0.1809524 -0.0000000), wk = 0.0020576 k( 131) = ( 0.1761905 0.1761905 -0.0000000), wk = 0.0020576 k( 132) = ( 0.1714286 0.1714286 -0.0000000), wk = 0.0020576 k( 133) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0020576 k( 134) = ( 0.1619048 0.1619048 0.0000000), wk = 0.0020576 k( 135) = ( 0.1571429 0.1571429 -0.0000000), wk = 0.0020576 k( 136) = ( 0.1523809 0.1523810 -0.0000000), wk = 0.0020576 k( 137) = ( 0.1476191 0.1476191 -0.0000000), wk = 0.0020576 k( 138) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0020576 k( 139) = ( 0.1380952 0.1380952 -0.0000000), wk = 0.0020576 k( 140) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0020576 k( 141) = ( 0.1285714 0.1285714 -0.0000000), wk = 0.0020576 k( 142) = ( 0.1238095 0.1238095 0.0000000), wk = 0.0020576 k( 143) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0020576 k( 144) = ( 0.1142857 0.1142857 -0.0000000), wk = 0.0020576 k( 145) = ( 0.1095238 0.1095238 0.0000000), wk = 0.0020576 k( 146) = ( 0.1047619 0.1047619 -0.0000000), wk = 0.0020576 k( 147) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0020576 k( 148) = ( 0.0952381 0.0952381 0.0000000), wk = 0.0020576 k( 149) = ( 0.0904762 0.0904762 -0.0000000), wk = 0.0020576 k( 150) = ( 0.0857143 0.0857143 -0.0000000), wk = 0.0020576 k( 151) = ( 0.0809524 0.0809524 0.0000000), wk = 0.0020576 k( 152) = ( 0.0761905 0.0761905 -0.0000000), wk = 0.0020576 k( 153) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0020576 k( 154) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0020576 k( 155) = ( 0.0619048 0.0619048 0.0000000), wk = 0.0020576 k( 156) = ( 0.0571429 0.0571429 -0.0000000), wk = 0.0020576 k( 157) = ( 0.0523810 0.0523809 -0.0000000), wk = 0.0020576 k( 158) = ( 0.0476191 0.0476191 0.0000000), wk = 0.0020576 k( 159) = ( 0.0428571 0.0428571 -0.0000000), wk = 0.0020576 k( 160) = ( 0.0380952 0.0380952 -0.0000000), wk = 0.0020576 k( 161) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0020576 k( 162) = ( 0.0285714 0.0285714 -0.0000000), wk = 0.0020576 k( 163) = ( 0.0238095 0.0238095 -0.0000000), wk = 0.0020576 k( 164) = ( 0.0190476 0.0190476 -0.0000000), wk = 0.0020576 k( 165) = ( 0.0142857 0.0142857 0.0000000), wk = 0.0020576 k( 166) = ( 0.0095238 0.0095238 -0.0000000), wk = 0.0020576 k( 167) = ( 0.0047619 0.0047619 -0.0000000), wk = 0.0020576 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020576 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020576 k( 170) = ( 0.0000000 0.0000000 0.0102041), wk = 0.0020576 k( 171) = ( 0.0000000 0.0000000 0.0204082), wk = 0.0020576 k( 172) = ( 0.0000000 0.0000000 0.0306122), wk = 0.0020576 k( 173) = ( 0.0000000 0.0000000 0.0408163), wk = 0.0020576 k( 174) = ( 0.0000000 0.0000000 0.0510204), wk = 0.0020576 k( 175) = ( 0.0000000 0.0000000 0.0612245), wk = 0.0020576 k( 176) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0020576 k( 177) = ( 0.0000000 0.0000000 0.0816326), wk = 0.0020576 k( 178) = ( 0.0000000 0.0000000 0.0918367), wk = 0.0020576 k( 179) = ( 0.0000000 0.0000000 0.1020408), wk = 0.0020576 k( 180) = ( 0.0000000 0.0000000 0.1122449), wk = 0.0020576 k( 181) = ( 0.0000000 0.0000000 0.1224490), wk = 0.0020576 k( 182) = ( 0.0000000 0.0000000 0.1326531), wk = 0.0020576 k( 183) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0020576 k( 184) = ( 0.0000000 0.0000000 0.1530612), wk = 0.0020576 k( 185) = ( 0.0000000 0.0000000 0.1632653), wk = 0.0020576 k( 186) = ( 0.0000000 0.0000000 0.1734694), wk = 0.0020576 k( 187) = ( 0.0000000 0.0000000 0.1836735), wk = 0.0020576 k( 188) = ( 0.0000000 0.0000000 0.1938776), wk = 0.0020576 k( 189) = ( 0.0000000 0.0000000 0.2040816), wk = 0.0020576 k( 190) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0020576 k( 191) = ( 0.0000000 0.0000000 0.2244898), wk = 0.0020576 k( 192) = ( 0.0000000 0.0000000 0.2346939), wk = 0.0020576 k( 193) = ( 0.0000000 0.0000000 0.2448980), wk = 0.0020576 k( 194) = ( 0.0000000 0.0000000 0.2551020), wk = 0.0020576 k( 195) = ( 0.0000000 0.0000000 0.2653061), wk = 0.0020576 k( 196) = ( 0.0000000 0.0000000 0.2755102), wk = 0.0020576 k( 197) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0020576 k( 198) = ( 0.0000000 0.0000000 0.2959184), wk = 0.0020576 k( 199) = ( 0.0000000 0.0000000 0.3061224), wk = 0.0020576 k( 200) = ( 0.0000000 0.0000000 0.3163265), wk = 0.0020576 k( 201) = ( 0.0000000 0.0000000 0.3265306), wk = 0.0020576 k( 202) = ( 0.0000000 0.0000000 0.3367347), wk = 0.0020576 k( 203) = ( 0.0000000 0.0000000 0.3469388), wk = 0.0020576 k( 204) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0020576 k( 205) = ( 0.0000000 0.0000000 0.3673469), wk = 0.0020576 k( 206) = ( 0.0000000 0.0000000 0.3775510), wk = 0.0020576 k( 207) = ( 0.0000000 0.0000000 0.3877551), wk = 0.0020576 k( 208) = ( 0.0000000 0.0000000 0.3979592), wk = 0.0020576 k( 209) = ( 0.0000000 0.0000000 0.4081633), wk = 0.0020576 k( 210) = ( 0.0000000 0.0000000 0.4183673), wk = 0.0020576 k( 211) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0020576 k( 212) = ( 0.0000000 0.0000000 0.4387755), wk = 0.0020576 k( 213) = ( 0.0000000 0.0000000 0.4489796), wk = 0.0020576 k( 214) = ( 0.0000000 0.0000000 0.4591837), wk = 0.0020576 k( 215) = ( 0.0000000 0.0000000 0.4693878), wk = 0.0020576 k( 216) = ( 0.0000000 0.0000000 0.4795918), wk = 0.0020576 k( 217) = ( 0.0000000 0.0000000 0.4897959), wk = 0.0020576 k( 218) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020576 k( 219) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020576 k( 220) = ( 0.0083333 -0.0000000 0.5000000), wk = 0.0020576 k( 221) = ( 0.0166667 -0.0000000 0.5000000), wk = 0.0020576 k( 222) = ( 0.0250000 -0.0000000 0.5000000), wk = 0.0020576 k( 223) = ( 0.0333333 -0.0000000 0.5000000), wk = 0.0020576 k( 224) = ( 0.0416667 -0.0000000 0.5000000), wk = 0.0020576 k( 225) = ( 0.0500000 -0.0000000 0.5000000), wk = 0.0020576 k( 226) = ( 0.0583333 -0.0000000 0.5000000), wk = 0.0020576 k( 227) = ( 0.0666667 -0.0000000 0.5000000), wk = 0.0020576 k( 228) = ( 0.0750000 0.0000000 0.5000000), wk = 0.0020576 k( 229) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0020576 k( 230) = ( 0.0916667 -0.0000000 0.5000000), wk = 0.0020576 k( 231) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0020576 k( 232) = ( 0.1083333 0.0000000 0.5000000), wk = 0.0020576 k( 233) = ( 0.1166667 -0.0000000 0.5000000), wk = 0.0020576 k( 234) = ( 0.1250000 -0.0000000 0.5000000), wk = 0.0020576 k( 235) = ( 0.1333333 -0.0000000 0.5000000), wk = 0.0020576 k( 236) = ( 0.1416667 -0.0000000 0.5000000), wk = 0.0020576 k( 237) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0020576 k( 238) = ( 0.1583333 -0.0000000 0.5000000), wk = 0.0020576 k( 239) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0020576 k( 240) = ( 0.1750000 -0.0000000 0.5000000), wk = 0.0020576 k( 241) = ( 0.1833333 -0.0000000 0.5000000), wk = 0.0020576 k( 242) = ( 0.1916667 -0.0000000 0.5000000), wk = 0.0020576 k( 243) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0020576 k( 244) = ( 0.2083333 -0.0000000 0.5000000), wk = 0.0020576 k( 245) = ( 0.2166667 -0.0000000 0.5000000), wk = 0.0020576 k( 246) = ( 0.2250000 -0.0000000 0.5000000), wk = 0.0020576 k( 247) = ( 0.2333333 -0.0000000 0.5000000), wk = 0.0020576 k( 248) = ( 0.2416667 -0.0000000 0.5000000), wk = 0.0020576 k( 249) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0020576 k( 250) = ( 0.2583333 -0.0000000 0.5000000), wk = 0.0020576 k( 251) = ( 0.2666667 -0.0000000 0.5000000), wk = 0.0020576 k( 252) = ( 0.2750000 -0.0000000 0.5000000), wk = 0.0020576 k( 253) = ( 0.2833333 -0.0000000 0.5000000), wk = 0.0020576 k( 254) = ( 0.2916667 0.0000000 0.5000000), wk = 0.0020576 k( 255) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0020576 k( 256) = ( 0.3083333 -0.0000000 0.5000000), wk = 0.0020576 k( 257) = ( 0.3166667 -0.0000000 0.5000000), wk = 0.0020576 k( 258) = ( 0.3250000 -0.0000000 0.5000000), wk = 0.0020576 k( 259) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0020576 k( 260) = ( 0.3416667 -0.0000000 0.5000000), wk = 0.0020576 k( 261) = ( 0.3500000 -0.0000000 0.5000000), wk = 0.0020576 k( 262) = ( 0.3583333 -0.0000000 0.5000000), wk = 0.0020576 k( 263) = ( 0.3666667 -0.0000000 0.5000000), wk = 0.0020576 k( 264) = ( 0.3750000 -0.0000000 0.5000000), wk = 0.0020576 k( 265) = ( 0.3833333 -0.0000000 0.5000000), wk = 0.0020576 k( 266) = ( 0.3916667 -0.0000000 0.5000000), wk = 0.0020576 k( 267) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0020576 k( 268) = ( 0.4083333 -0.0000000 0.5000000), wk = 0.0020576 k( 269) = ( 0.4166667 -0.0000000 0.5000000), wk = 0.0020576 k( 270) = ( 0.4250000 -0.0000000 0.5000000), wk = 0.0020576 k( 271) = ( 0.4333333 -0.0000000 0.5000000), wk = 0.0020576 k( 272) = ( 0.4416667 -0.0000000 0.5000000), wk = 0.0020576 k( 273) = ( 0.4500000 -0.0000000 0.5000000), wk = 0.0020576 k( 274) = ( 0.4583333 -0.0000000 0.5000000), wk = 0.0020576 k( 275) = ( 0.4666667 -0.0000000 0.5000000), wk = 0.0020576 k( 276) = ( 0.4750000 -0.0000000 0.5000000), wk = 0.0020576 k( 277) = ( 0.4833333 -0.0000000 0.5000000), wk = 0.0020576 k( 278) = ( 0.4916667 -0.0000000 0.5000000), wk = 0.0020576 k( 279) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0020576 k( 280) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0020576 k( 281) = ( 0.4952381 0.0095238 0.5000000), wk = 0.0020576 k( 282) = ( 0.4904762 0.0190476 0.5000000), wk = 0.0020576 k( 283) = ( 0.4857143 0.0285714 0.5000000), wk = 0.0020576 k( 284) = ( 0.4809524 0.0380952 0.5000000), wk = 0.0020576 k( 285) = ( 0.4761905 0.0476190 0.5000000), wk = 0.0020576 k( 286) = ( 0.4714286 0.0571429 0.5000000), wk = 0.0020576 k( 287) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0020576 k( 288) = ( 0.4619048 0.0761905 0.5000000), wk = 0.0020576 k( 289) = ( 0.4571429 0.0857143 0.5000000), wk = 0.0020576 k( 290) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0020576 k( 291) = ( 0.4476191 0.1047619 0.5000000), wk = 0.0020576 k( 292) = ( 0.4428571 0.1142857 0.5000000), wk = 0.0020576 k( 293) = ( 0.4380952 0.1238095 0.5000000), wk = 0.0020576 k( 294) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0020576 k( 295) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0020576 k( 296) = ( 0.4238095 0.1523809 0.5000000), wk = 0.0020576 k( 297) = ( 0.4190476 0.1619048 0.5000000), wk = 0.0020576 k( 298) = ( 0.4142857 0.1714286 0.5000000), wk = 0.0020576 k( 299) = ( 0.4095238 0.1809524 0.5000000), wk = 0.0020576 k( 300) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0020576 k( 301) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0020576 k( 302) = ( 0.3952381 0.2095238 0.5000000), wk = 0.0020576 k( 303) = ( 0.3904762 0.2190476 0.5000000), wk = 0.0020576 k( 304) = ( 0.3857143 0.2285714 0.5000000), wk = 0.0020576 k( 305) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0020576 k( 306) = ( 0.3761905 0.2476191 0.5000000), wk = 0.0020576 k( 307) = ( 0.3714286 0.2571429 0.5000000), wk = 0.0020576 k( 308) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0020576 k( 309) = ( 0.3619048 0.2761905 0.5000000), wk = 0.0020576 k( 310) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0020576 k( 311) = ( 0.3523810 0.2952381 0.5000000), wk = 0.0020576 k( 312) = ( 0.3476190 0.3047619 0.5000000), wk = 0.0020576 k( 313) = ( 0.3428571 0.3142857 0.5000000), wk = 0.0020576 k( 314) = ( 0.3380952 0.3238095 0.5000000), wk = 0.0020576 k( 315) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0020576 k( 316) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0020576 k( 317) = ( 0.3285714 0.3285714 0.5000000), wk = 0.0020576 k( 318) = ( 0.3238095 0.3238095 0.5000000), wk = 0.0020576 k( 319) = ( 0.3190476 0.3190476 0.5000000), wk = 0.0020576 k( 320) = ( 0.3142857 0.3142857 0.5000000), wk = 0.0020576 k( 321) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0020576 k( 322) = ( 0.3047619 0.3047619 0.5000000), wk = 0.0020576 k( 323) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0020576 k( 324) = ( 0.2952381 0.2952381 0.5000000), wk = 0.0020576 k( 325) = ( 0.2904762 0.2904762 0.5000000), wk = 0.0020576 k( 326) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0020576 k( 327) = ( 0.2809524 0.2809524 0.5000000), wk = 0.0020576 k( 328) = ( 0.2761905 0.2761905 0.5000000), wk = 0.0020576 k( 329) = ( 0.2714286 0.2714286 0.5000000), wk = 0.0020576 k( 330) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0020576 k( 331) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0020576 k( 332) = ( 0.2571429 0.2571429 0.5000000), wk = 0.0020576 k( 333) = ( 0.2523809 0.2523809 0.5000000), wk = 0.0020576 k( 334) = ( 0.2476191 0.2476191 0.5000000), wk = 0.0020576 k( 335) = ( 0.2428571 0.2428571 0.5000000), wk = 0.0020576 k( 336) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0020576 k( 337) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0020576 k( 338) = ( 0.2285714 0.2285714 0.5000000), wk = 0.0020576 k( 339) = ( 0.2238095 0.2238095 0.5000000), wk = 0.0020576 k( 340) = ( 0.2190476 0.2190476 0.5000000), wk = 0.0020576 k( 341) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0020576 k( 342) = ( 0.2095238 0.2095238 0.5000000), wk = 0.0020576 k( 343) = ( 0.2047619 0.2047619 0.5000000), wk = 0.0020576 k( 344) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0020576 k( 345) = ( 0.1952381 0.1952381 0.5000000), wk = 0.0020576 k( 346) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0020576 k( 347) = ( 0.1857143 0.1857143 0.5000000), wk = 0.0020576 k( 348) = ( 0.1809524 0.1809524 0.5000000), wk = 0.0020576 k( 349) = ( 0.1761905 0.1761905 0.5000000), wk = 0.0020576 k( 350) = ( 0.1714286 0.1714286 0.5000000), wk = 0.0020576 k( 351) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0020576 k( 352) = ( 0.1619048 0.1619048 0.5000000), wk = 0.0020576 k( 353) = ( 0.1571429 0.1571429 0.5000000), wk = 0.0020576 k( 354) = ( 0.1523809 0.1523810 0.5000000), wk = 0.0020576 k( 355) = ( 0.1476191 0.1476191 0.5000000), wk = 0.0020576 k( 356) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0020576 k( 357) = ( 0.1380952 0.1380952 0.5000000), wk = 0.0020576 k( 358) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0020576 k( 359) = ( 0.1285714 0.1285714 0.5000000), wk = 0.0020576 k( 360) = ( 0.1238095 0.1238095 0.5000000), wk = 0.0020576 k( 361) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0020576 k( 362) = ( 0.1142857 0.1142857 0.5000000), wk = 0.0020576 k( 363) = ( 0.1095238 0.1095238 0.5000000), wk = 0.0020576 k( 364) = ( 0.1047619 0.1047619 0.5000000), wk = 0.0020576 k( 365) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0020576 k( 366) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0020576 k( 367) = ( 0.0904762 0.0904762 0.5000000), wk = 0.0020576 k( 368) = ( 0.0857143 0.0857143 0.5000000), wk = 0.0020576 k( 369) = ( 0.0809524 0.0809524 0.5000000), wk = 0.0020576 k( 370) = ( 0.0761905 0.0761905 0.5000000), wk = 0.0020576 k( 371) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0020576 k( 372) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0020576 k( 373) = ( 0.0619048 0.0619048 0.5000000), wk = 0.0020576 k( 374) = ( 0.0571429 0.0571429 0.5000000), wk = 0.0020576 k( 375) = ( 0.0523810 0.0523809 0.5000000), wk = 0.0020576 k( 376) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0020576 k( 377) = ( 0.0428571 0.0428571 0.5000000), wk = 0.0020576 k( 378) = ( 0.0380952 0.0380952 0.5000000), wk = 0.0020576 k( 379) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0020576 k( 380) = ( 0.0285714 0.0285714 0.5000000), wk = 0.0020576 k( 381) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0020576 k( 382) = ( 0.0190476 0.0190476 0.5000000), wk = 0.0020576 k( 383) = ( 0.0142857 0.0142857 0.5000000), wk = 0.0020576 k( 384) = ( 0.0095238 0.0095238 0.5000000), wk = 0.0020576 k( 385) = ( 0.0047619 0.0047619 0.5000000), wk = 0.0020576 k( 386) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020576 k( 387) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0020576 k( 388) = ( 0.5000000 -0.0000000 0.4897959), wk = 0.0020576 k( 389) = ( 0.5000000 -0.0000000 0.4795918), wk = 0.0020576 k( 390) = ( 0.5000000 -0.0000000 0.4693878), wk = 0.0020576 k( 391) = ( 0.5000000 -0.0000000 0.4591837), wk = 0.0020576 k( 392) = ( 0.5000000 -0.0000000 0.4489796), wk = 0.0020576 k( 393) = ( 0.5000000 -0.0000000 0.4387755), wk = 0.0020576 k( 394) = ( 0.5000000 -0.0000000 0.4285714), wk = 0.0020576 k( 395) = ( 0.5000000 -0.0000000 0.4183673), wk = 0.0020576 k( 396) = ( 0.5000000 -0.0000000 0.4081633), wk = 0.0020576 k( 397) = ( 0.5000000 -0.0000000 0.3979592), wk = 0.0020576 k( 398) = ( 0.5000000 -0.0000000 0.3877551), wk = 0.0020576 k( 399) = ( 0.5000000 -0.0000000 0.3775510), wk = 0.0020576 k( 400) = ( 0.5000000 -0.0000000 0.3673469), wk = 0.0020576 k( 401) = ( 0.5000000 -0.0000000 0.3571429), wk = 0.0020576 k( 402) = ( 0.5000000 -0.0000000 0.3469388), wk = 0.0020576 k( 403) = ( 0.5000000 -0.0000000 0.3367347), wk = 0.0020576 k( 404) = ( 0.5000000 -0.0000000 0.3265306), wk = 0.0020576 k( 405) = ( 0.5000000 -0.0000000 0.3163265), wk = 0.0020576 k( 406) = ( 0.5000000 -0.0000000 0.3061224), wk = 0.0020576 k( 407) = ( 0.5000000 -0.0000000 0.2959184), wk = 0.0020576 k( 408) = ( 0.5000000 -0.0000000 0.2857143), wk = 0.0020576 k( 409) = ( 0.5000000 -0.0000000 0.2755102), wk = 0.0020576 k( 410) = ( 0.5000000 -0.0000000 0.2653061), wk = 0.0020576 k( 411) = ( 0.5000000 -0.0000000 0.2551020), wk = 0.0020576 k( 412) = ( 0.5000000 -0.0000000 0.2448980), wk = 0.0020576 k( 413) = ( 0.5000000 -0.0000000 0.2346939), wk = 0.0020576 k( 414) = ( 0.5000000 -0.0000000 0.2244898), wk = 0.0020576 k( 415) = ( 0.5000000 -0.0000000 0.2142857), wk = 0.0020576 k( 416) = ( 0.5000000 -0.0000000 0.2040816), wk = 0.0020576 k( 417) = ( 0.5000000 -0.0000000 0.1938776), wk = 0.0020576 k( 418) = ( 0.5000000 -0.0000000 0.1836735), wk = 0.0020576 k( 419) = ( 0.5000000 -0.0000000 0.1734694), wk = 0.0020576 k( 420) = ( 0.5000000 -0.0000000 0.1632653), wk = 0.0020576 k( 421) = ( 0.5000000 -0.0000000 0.1530612), wk = 0.0020576 k( 422) = ( 0.5000000 -0.0000000 0.1428571), wk = 0.0020576 k( 423) = ( 0.5000000 -0.0000000 0.1326531), wk = 0.0020576 k( 424) = ( 0.5000000 -0.0000000 0.1224490), wk = 0.0020576 k( 425) = ( 0.5000000 -0.0000000 0.1122449), wk = 0.0020576 k( 426) = ( 0.5000000 -0.0000000 0.1020408), wk = 0.0020576 k( 427) = ( 0.5000000 -0.0000000 0.0918367), wk = 0.0020576 k( 428) = ( 0.5000000 -0.0000000 0.0816326), wk = 0.0020576 k( 429) = ( 0.5000000 -0.0000000 0.0714286), wk = 0.0020576 k( 430) = ( 0.5000000 -0.0000000 0.0612245), wk = 0.0020576 k( 431) = ( 0.5000000 -0.0000000 0.0510204), wk = 0.0020576 k( 432) = ( 0.5000000 -0.0000000 0.0408163), wk = 0.0020576 k( 433) = ( 0.5000000 -0.0000000 0.0306122), wk = 0.0020576 k( 434) = ( 0.5000000 -0.0000000 0.0204082), wk = 0.0020576 k( 435) = ( 0.5000000 -0.0000000 0.0102041), wk = 0.0020576 k( 436) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0020576 k( 437) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0020576 k( 438) = ( 0.3333333 0.3333333 0.0102041), wk = 0.0020576 k( 439) = ( 0.3333333 0.3333333 0.0204082), wk = 0.0020576 k( 440) = ( 0.3333333 0.3333333 0.0306122), wk = 0.0020576 k( 441) = ( 0.3333333 0.3333333 0.0408163), wk = 0.0020576 k( 442) = ( 0.3333333 0.3333333 0.0510204), wk = 0.0020576 k( 443) = ( 0.3333333 0.3333333 0.0612245), wk = 0.0020576 k( 444) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0020576 k( 445) = ( 0.3333333 0.3333333 0.0816327), wk = 0.0020576 k( 446) = ( 0.3333333 0.3333333 0.0918367), wk = 0.0020576 k( 447) = ( 0.3333333 0.3333333 0.1020408), wk = 0.0020576 k( 448) = ( 0.3333333 0.3333333 0.1122449), wk = 0.0020576 k( 449) = ( 0.3333333 0.3333333 0.1224490), wk = 0.0020576 k( 450) = ( 0.3333333 0.3333333 0.1326531), wk = 0.0020576 k( 451) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0020576 k( 452) = ( 0.3333333 0.3333333 0.1530612), wk = 0.0020576 k( 453) = ( 0.3333333 0.3333333 0.1632653), wk = 0.0020576 k( 454) = ( 0.3333333 0.3333333 0.1734694), wk = 0.0020576 k( 455) = ( 0.3333333 0.3333333 0.1836735), wk = 0.0020576 k( 456) = ( 0.3333333 0.3333333 0.1938776), wk = 0.0020576 k( 457) = ( 0.3333333 0.3333333 0.2040816), wk = 0.0020576 k( 458) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0020576 k( 459) = ( 0.3333333 0.3333333 0.2244898), wk = 0.0020576 k( 460) = ( 0.3333333 0.3333333 0.2346939), wk = 0.0020576 k( 461) = ( 0.3333333 0.3333333 0.2448980), wk = 0.0020576 k( 462) = ( 0.3333333 0.3333333 0.2551020), wk = 0.0020576 k( 463) = ( 0.3333333 0.3333333 0.2653061), wk = 0.0020576 k( 464) = ( 0.3333333 0.3333333 0.2755102), wk = 0.0020576 k( 465) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0020576 k( 466) = ( 0.3333333 0.3333333 0.2959184), wk = 0.0020576 k( 467) = ( 0.3333333 0.3333333 0.3061224), wk = 0.0020576 k( 468) = ( 0.3333333 0.3333333 0.3163265), wk = 0.0020576 k( 469) = ( 0.3333333 0.3333333 0.3265306), wk = 0.0020576 k( 470) = ( 0.3333333 0.3333333 0.3367347), wk = 0.0020576 k( 471) = ( 0.3333333 0.3333333 0.3469388), wk = 0.0020576 k( 472) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0020576 k( 473) = ( 0.3333333 0.3333333 0.3673469), wk = 0.0020576 k( 474) = ( 0.3333333 0.3333333 0.3775510), wk = 0.0020576 k( 475) = ( 0.3333333 0.3333333 0.3877551), wk = 0.0020576 k( 476) = ( 0.3333333 0.3333333 0.3979592), wk = 0.0020576 k( 477) = ( 0.3333333 0.3333333 0.4081633), wk = 0.0020576 k( 478) = ( 0.3333333 0.3333333 0.4183674), wk = 0.0020576 k( 479) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0020576 k( 480) = ( 0.3333333 0.3333333 0.4387755), wk = 0.0020576 k( 481) = ( 0.3333333 0.3333333 0.4489796), wk = 0.0020576 k( 482) = ( 0.3333333 0.3333333 0.4591837), wk = 0.0020576 k( 483) = ( 0.3333333 0.3333333 0.4693878), wk = 0.0020576 k( 484) = ( 0.3333333 0.3333333 0.4795918), wk = 0.0020576 k( 485) = ( 0.3333333 0.3333333 0.4897959), wk = 0.0020576 k( 486) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0020576 Dense grid: 17123 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 16763 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 124, 26) NL pseudopotentials 0.06 Mb ( 62, 62) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 477) G-vector shells 0.00 Mb ( 233) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.20 Mb ( 124, 104) Each subspace H/S matrix 0.01 Mb ( 26, 26) Each matrix 0.05 Mb ( 62, 2, 26) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./TiB2.save/charge-density.dat Starting wfc are 16 randomized atomic wfcs + 10 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.0 secs Computing kpt #: 2 total cpu time spent up to now is 1.1 secs Computing kpt #: 3 total cpu time spent up to now is 1.2 secs Computing kpt #: 4 total cpu time spent up to now is 1.3 secs Computing kpt #: 5 total cpu time spent up to now is 1.5 secs Computing kpt #: 6 total cpu time spent up to now is 1.6 secs Computing kpt #: 7 total cpu time spent up to now is 1.7 secs Computing kpt #: 8 total cpu time spent up to now is 1.8 secs Computing kpt #: 9 total cpu time spent up to now is 1.9 secs Computing kpt #: 10 total cpu time spent up to now is 2.0 secs Computing kpt #: 11 total cpu time spent up to now is 2.1 secs Computing kpt #: 12 total cpu time spent up to now is 2.2 secs Computing kpt #: 13 total cpu time spent up to now is 2.3 secs Computing kpt #: 14 total cpu time spent up to now is 2.5 secs Computing kpt #: 15 total cpu time spent up to now is 2.6 secs Computing kpt #: 16 total cpu time spent up to now is 2.7 secs Computing kpt #: 17 total cpu time spent up to now is 2.8 secs Computing kpt #: 18 total cpu time spent up to now is 2.9 secs Computing kpt #: 19 total cpu time spent up to now is 3.1 secs Computing kpt #: 20 total cpu time spent up to now is 3.2 secs Computing kpt #: 21 total cpu time spent up to now is 3.3 secs Computing kpt #: 22 total cpu time spent up to now is 3.4 secs Computing kpt #: 23 total cpu time spent up to now is 3.5 secs Computing kpt #: 24 total cpu time spent up to now is 3.6 secs Computing kpt #: 25 total cpu time spent up to now is 3.8 secs Computing kpt #: 26 total cpu time spent up to now is 3.9 secs Computing kpt #: 27 total cpu time spent up to now is 4.0 secs Computing kpt #: 28 total cpu time spent up to now is 4.1 secs Computing kpt #: 29 total cpu time spent up to now is 4.2 secs Computing kpt #: 30 total cpu time spent up to now is 4.4 secs Computing kpt #: 31 total cpu time spent up to now is 4.5 secs Computing kpt #: 32 total cpu time spent up to now is 4.6 secs Computing kpt #: 33 total cpu time spent up to now is 4.7 secs Computing kpt #: 34 total cpu time spent up to now is 5.0 secs Computing kpt #: 35 total cpu time spent up to now is 5.2 secs Computing kpt #: 36 total cpu time spent up to now is 5.3 secs Computing kpt #: 37 total cpu time spent up to now is 5.4 secs Computing kpt #: 38 total cpu time spent up to now is 5.5 secs Computing kpt #: 39 total cpu time spent up to now is 5.6 secs Computing kpt #: 40 total cpu time spent up to now is 5.7 secs Computing kpt #: 41 total cpu time spent up to now is 5.8 secs Computing kpt #: 42 total cpu time spent up to now is 6.0 secs Computing kpt #: 43 total cpu time spent up to now is 6.1 secs Computing kpt #: 44 total cpu time spent up to now is 6.2 secs Computing kpt #: 45 total cpu time spent up to now is 6.3 secs Computing kpt #: 46 total cpu time spent up to now is 6.4 secs Computing kpt #: 47 total cpu time spent up to now is 6.5 secs Computing kpt #: 48 total cpu time spent up to now is 6.6 secs Computing kpt #: 49 total cpu time spent up to now is 6.8 secs Computing kpt #: 50 total cpu time spent up to now is 6.9 secs Computing kpt #: 51 total cpu time spent up to now is 7.0 secs Computing kpt #: 52 total cpu time spent up to now is 7.1 secs Computing kpt #: 53 total cpu time spent up to now is 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Computing kpt #: 101 total cpu time spent up to now is 13.4 secs Computing kpt #: 102 total cpu time spent up to now is 13.5 secs Computing kpt #: 103 total cpu time spent up to now is 13.7 secs Computing kpt #: 104 total cpu time spent up to now is 13.8 secs Computing kpt #: 105 total cpu time spent up to now is 14.0 secs Computing kpt #: 106 total cpu time spent up to now is 14.1 secs Computing kpt #: 107 total cpu time spent up to now is 14.2 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 14.7 secs Computing kpt #: 111 total cpu time spent up to now is 14.8 secs Computing kpt #: 112 total cpu time spent up to now is 14.9 secs Computing kpt #: 113 total cpu time spent up to now is 15.1 secs Computing kpt #: 114 total cpu time spent up to now is 15.2 secs Computing kpt #: 115 total cpu time spent up to now is 15.3 secs Computing kpt #: 116 total cpu time spent up to now is 15.5 secs Computing kpt #: 117 total cpu time spent up to now is 15.6 secs Computing kpt #: 118 total cpu time spent up to now is 15.7 secs Computing kpt #: 119 total cpu time spent up to now is 15.8 secs Computing kpt #: 120 total cpu time spent up to now is 16.0 secs Computing kpt #: 121 total cpu time spent up to now is 16.1 secs Computing kpt #: 122 total cpu time spent up to now is 16.2 secs Computing kpt #: 123 total cpu time spent up to now is 16.4 secs Computing kpt #: 124 total cpu time spent up to now is 16.5 secs Computing kpt #: 125 total cpu time spent up to now is 16.6 secs Computing kpt #: 126 total cpu time spent up to now is 16.8 secs Computing kpt #: 127 total cpu time spent up to now is 16.9 secs Computing kpt #: 128 total cpu time spent up to now is 17.0 secs Computing kpt #: 129 total cpu time spent up to now is 17.1 secs Computing kpt #: 130 total cpu time spent up to now is 17.3 secs Computing kpt #: 131 total cpu time spent up 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Computing kpt #: 147 total cpu time spent up to now is 19.3 secs Computing kpt #: 148 total cpu time spent up to now is 19.4 secs Computing kpt #: 149 total cpu time spent up to now is 19.5 secs Computing kpt #: 150 total cpu time spent up to now is 19.7 secs Computing kpt #: 151 total cpu time spent up to now is 19.8 secs Computing kpt #: 152 total cpu time spent up to now is 19.9 secs Computing kpt #: 153 total cpu time spent up to now is 20.0 secs Computing kpt #: 154 total cpu time spent up to now is 20.1 secs Computing kpt #: 155 total cpu time spent up to now is 20.2 secs Computing kpt #: 156 total cpu time spent up to now is 20.3 secs Computing kpt #: 157 total cpu time spent up to now is 20.5 secs Computing kpt #: 158 total cpu time spent up to now is 20.6 secs Computing kpt #: 159 total cpu time spent up to now is 20.7 secs Computing kpt #: 160 total cpu time spent up to now is 20.8 secs Computing kpt #: 161 total cpu time spent up to now is 20.9 secs Computing kpt #: 162 total cpu time spent up to now is 21.0 secs Computing kpt #: 163 total cpu time spent up to now is 21.1 secs Computing kpt #: 164 total cpu time spent up to now is 21.2 secs Computing kpt #: 165 total cpu time spent up to now is 21.4 secs Computing kpt #: 166 total cpu time spent up to now is 21.5 secs Computing kpt #: 167 total cpu time spent up to now is 21.6 secs Computing kpt #: 168 total cpu time spent up to now is 21.7 secs Computing kpt #: 169 total cpu time spent up to now is 21.8 secs Computing kpt #: 170 total cpu time spent up to now is 21.9 secs Computing kpt #: 171 total cpu time spent up to now is 22.0 secs Computing kpt #: 172 total cpu time spent up to now is 22.1 secs Computing kpt #: 173 total cpu time spent up to now is 22.2 secs Computing kpt #: 174 total cpu time spent up to now is 22.4 secs Computing kpt #: 175 total cpu time spent up to now is 22.5 secs Computing kpt #: 176 total cpu time spent up to now is 22.6 secs Computing kpt #: 177 total cpu time spent up to now is 22.7 secs Computing kpt #: 178 total cpu time spent up to now is 22.8 secs Computing kpt #: 179 total cpu time spent up to now is 22.9 secs Computing kpt #: 180 total cpu time spent up to now is 23.0 secs Computing kpt #: 181 total cpu time spent up to now is 23.1 secs Computing kpt #: 182 total cpu time spent up to now is 23.2 secs Computing kpt #: 183 total cpu time spent up to now is 23.3 secs Computing kpt #: 184 total cpu time spent up to now is 23.4 secs Computing kpt #: 185 total cpu time spent up to now is 23.6 secs Computing kpt #: 186 total cpu time spent up to now is 23.7 secs Computing kpt #: 187 total cpu time spent up to now is 23.8 secs Computing kpt #: 188 total cpu time spent up to now is 23.9 secs Computing kpt #: 189 total cpu time spent up to now is 24.0 secs Computing kpt #: 190 total cpu time spent up to now is 24.1 secs Computing kpt #: 191 total cpu time spent up to now is 24.2 secs Computing kpt #: 192 total cpu time spent up to now is 24.3 secs Computing kpt #: 193 total cpu time spent up to now is 24.4 secs Computing kpt #: 194 total cpu time spent up to now is 24.5 secs Computing kpt #: 195 total cpu time spent up to now is 24.6 secs Computing kpt #: 196 total cpu time spent up to now is 24.8 secs Computing kpt #: 197 total cpu time spent up to now is 24.9 secs Computing kpt #: 198 total cpu time spent up to now is 25.0 secs Computing kpt #: 199 total cpu time spent up to now is 25.1 secs Computing kpt #: 200 total cpu time spent up to now is 25.2 secs Computing kpt #: 201 total cpu time spent up to now is 25.3 secs Computing kpt #: 202 total cpu time spent up to now is 25.4 secs Computing kpt #: 203 total cpu time spent up to now is 25.6 secs Computing kpt #: 204 total cpu time spent up to now is 25.7 secs Computing kpt #: 205 total cpu time spent up to now is 25.8 secs Computing kpt #: 206 total cpu time spent up to now is 25.9 secs Computing kpt #: 207 total cpu time spent up to now is 26.0 secs Computing kpt #: 208 total cpu time spent up to now is 26.1 secs Computing kpt #: 209 total cpu time spent up to now is 26.3 secs Computing kpt #: 210 total cpu time spent up to now is 26.4 secs Computing kpt #: 211 total cpu time spent up to now is 26.5 secs Computing kpt #: 212 total cpu time spent up to now is 26.6 secs Computing kpt #: 213 total cpu time spent up to now is 26.7 secs Computing kpt #: 214 total cpu time spent up to now is 26.8 secs Computing kpt #: 215 total cpu time spent up to now is 26.9 secs Computing kpt #: 216 total cpu time spent up to now is 27.1 secs Computing kpt #: 217 total cpu time spent up to now is 27.2 secs Computing kpt #: 218 total cpu time spent up to now is 27.3 secs Computing kpt #: 219 total cpu time spent up to now is 27.4 secs Computing kpt #: 220 total cpu time spent up to now is 27.5 secs Computing kpt #: 221 total cpu time spent up to now is 27.6 secs Computing kpt #: 222 total cpu time spent up to now is 27.7 secs Computing kpt #: 223 total cpu time spent up to now is 27.8 secs Computing kpt #: 224 total cpu time spent up to now is 28.0 secs Computing kpt #: 225 total cpu time spent up to now is 28.1 secs Computing kpt #: 226 total cpu time spent up to now is 28.2 secs Computing kpt #: 227 total cpu time spent up to now is 28.3 secs Computing kpt #: 228 total cpu time spent up to now is 28.4 secs Computing kpt #: 229 total cpu time spent up to now is 28.5 secs Computing kpt #: 230 total cpu time spent up to now is 28.7 secs Computing kpt #: 231 total cpu time spent up to now is 28.8 secs Computing kpt #: 232 total cpu time spent up to now is 28.9 secs Computing kpt #: 233 total cpu time spent up to now is 29.0 secs Computing kpt #: 234 total cpu time spent up to now is 29.1 secs Computing kpt #: 235 total cpu time spent up to now is 29.2 secs Computing kpt #: 236 total cpu time spent up to now is 29.3 secs Computing kpt #: 237 total cpu time spent up to now is 29.4 secs Computing kpt #: 238 total cpu time spent up to now is 29.6 secs Computing kpt #: 239 total cpu time spent up to now is 29.7 secs Computing kpt #: 240 total cpu time spent up to now is 29.8 secs Computing kpt #: 241 total cpu time spent up to now is 29.9 secs Computing kpt #: 242 total cpu time spent up to now is 30.0 secs Computing kpt #: 243 total cpu time spent up to now is 30.1 secs Computing kpt #: 244 total cpu time spent up to now is 30.2 secs Computing kpt #: 245 total cpu time spent up to now is 30.4 secs Computing kpt #: 246 total cpu time spent up to now is 30.5 secs Computing kpt #: 247 total cpu time spent up to now is 30.6 secs Computing kpt #: 248 total cpu time spent up to now is 30.7 secs Computing kpt #: 249 total cpu time spent up to now is 30.8 secs Computing kpt #: 250 total cpu time spent up to now is 30.9 secs Computing kpt #: 251 total cpu time spent up to now is 31.1 secs Computing kpt #: 252 total cpu time spent up to now is 31.2 secs Computing kpt #: 253 total cpu time spent up to now is 31.3 secs Computing kpt #: 254 total cpu time spent up to now is 31.4 secs Computing kpt #: 255 total cpu time spent up to now is 31.5 secs Computing kpt #: 256 total cpu time spent up to now is 31.6 secs Computing kpt #: 257 total cpu time spent up to now is 31.7 secs Computing kpt #: 258 total cpu time spent up to now is 31.9 secs Computing kpt #: 259 total cpu time spent up to now is 32.0 secs Computing kpt #: 260 total cpu time spent up to now is 32.1 secs Computing kpt #: 261 total cpu time spent up to now is 32.2 secs Computing kpt #: 262 total cpu time spent up to now is 32.3 secs Computing kpt #: 263 total cpu time spent up to now is 32.4 secs Computing kpt #: 264 total cpu time spent up to now is 32.6 secs Computing kpt #: 265 total cpu time spent up to now is 32.7 secs Computing kpt #: 266 total cpu time spent up to now is 32.8 secs Computing kpt #: 267 total cpu time spent up to now is 32.9 secs Computing kpt #: 268 total cpu time spent up to now is 33.0 secs Computing kpt #: 269 total cpu time spent up to now is 33.1 secs Computing kpt #: 270 total cpu time spent up to now is 33.3 secs Computing kpt #: 271 total cpu time spent up to now is 33.4 secs Computing kpt #: 272 total cpu time spent up to now is 33.5 secs Computing kpt #: 273 total cpu time spent up to now is 33.6 secs Computing kpt #: 274 total cpu time spent up to now is 33.7 secs Computing kpt #: 275 total cpu time spent up to now is 33.9 secs Computing kpt #: 276 total cpu time spent up to now is 34.0 secs Computing kpt #: 277 total cpu time spent up to now is 34.1 secs Computing kpt #: 278 total cpu time spent up to now is 34.2 secs Computing kpt #: 279 total cpu time spent up to now is 34.4 secs Computing kpt #: 280 total cpu time spent up to now is 34.5 secs Computing kpt #: 281 total cpu time spent up to now is 34.6 secs Computing kpt #: 282 total cpu time spent up to now is 34.7 secs Computing kpt #: 283 total cpu time spent up to now is 34.8 secs Computing kpt #: 284 total cpu time spent up to now is 35.0 secs Computing kpt #: 285 total cpu time spent up to now is 35.1 secs Computing kpt #: 286 total cpu time spent up to now is 35.2 secs Computing kpt #: 287 total cpu time spent up to now is 35.3 secs Computing kpt #: 288 total cpu time spent up to now is 35.5 secs Computing kpt #: 289 total cpu time spent up to now is 35.6 secs Computing kpt #: 290 total cpu time spent up to now is 35.7 secs Computing kpt #: 291 total cpu time spent up to now is 35.8 secs Computing kpt #: 292 total cpu time spent up to now is 35.9 secs Computing kpt #: 293 total cpu time spent up to now is 36.1 secs Computing kpt #: 294 total cpu time spent up to now is 36.2 secs Computing kpt #: 295 total cpu time spent up to now is 36.3 secs Computing kpt #: 296 total cpu time spent up to now is 36.4 secs Computing kpt #: 297 total cpu time spent up to now is 36.6 secs Computing kpt #: 298 total cpu time spent up to now is 36.7 secs Computing kpt #: 299 total cpu time spent up to now is 36.8 secs Computing kpt #: 300 total cpu time spent up to now is 37.0 secs Computing kpt #: 301 total cpu time spent up to now is 37.1 secs Computing kpt #: 302 total cpu time spent up to now is 37.2 secs Computing kpt #: 303 total cpu time spent up to now is 37.4 secs Computing kpt #: 304 total cpu time spent up to now is 37.5 secs Computing kpt #: 305 total cpu time spent up to now is 37.6 secs Computing kpt #: 306 total cpu time spent up to now is 37.8 secs Computing kpt #: 307 total cpu time spent up to now is 37.9 secs Computing kpt #: 308 total cpu time spent up to now is 38.0 secs Computing kpt #: 309 total cpu time spent up to now is 38.2 secs Computing kpt #: 310 total cpu time spent up to now is 38.3 secs Computing kpt #: 311 total cpu time spent up to now is 38.5 secs Computing kpt #: 312 total cpu time spent up to now is 38.6 secs Computing kpt #: 313 total cpu time spent up to now is 38.8 secs Computing kpt #: 314 total cpu time spent up to now is 38.9 secs Computing kpt #: 315 total cpu time spent up to now is 39.1 secs Computing kpt #: 316 total cpu time spent up to now is 39.2 secs Computing kpt #: 317 total cpu time spent up to now is 39.4 secs Computing kpt #: 318 total cpu time spent up to now is 39.6 secs Computing kpt #: 319 total cpu time spent up to now is 39.7 secs Computing kpt #: 320 total cpu time spent up to now is 39.8 secs Computing kpt #: 321 total cpu time spent up to now is 40.0 secs Computing kpt #: 322 total cpu time spent up to now is 40.1 secs Computing kpt #: 323 total cpu time spent up to now is 40.2 secs Computing kpt #: 324 total cpu time spent up to now is 40.4 secs Computing kpt #: 325 total cpu time spent up to now is 40.5 secs Computing kpt #: 326 total cpu time spent up to now is 40.6 secs Computing kpt #: 327 total cpu time spent up to now is 40.8 secs Computing kpt #: 328 total cpu time spent up to now is 40.9 secs Computing kpt #: 329 total cpu time spent up to now is 41.0 secs Computing kpt #: 330 total cpu time spent up to now is 41.1 secs Computing kpt #: 331 total cpu time spent up to now is 41.2 secs Computing kpt #: 332 total cpu time spent up to now is 41.4 secs Computing kpt #: 333 total cpu time spent up to now is 41.5 secs Computing kpt #: 334 total cpu time spent up to now is 41.6 secs Computing kpt #: 335 total cpu time spent up to now is 41.7 secs Computing kpt #: 336 total cpu time spent up to now is 41.8 secs Computing kpt #: 337 total cpu time spent up to now is 42.0 secs Computing kpt #: 338 total cpu time spent up to now is 42.1 secs Computing kpt #: 339 total cpu time spent up to now is 42.2 secs Computing kpt #: 340 total cpu time spent up to now is 42.3 secs Computing kpt #: 341 total cpu time spent up to now is 42.4 secs Computing kpt #: 342 total cpu time spent up to now is 42.5 secs Computing kpt #: 343 total cpu time spent up to now is 42.6 secs Computing kpt #: 344 total cpu time spent up to now is 42.7 secs Computing kpt #: 345 total cpu time spent up to now is 42.9 secs Computing kpt #: 346 total cpu time spent up to now is 43.0 secs Computing kpt #: 347 total cpu time spent up to now is 43.1 secs Computing kpt #: 348 total cpu time spent up to now is 43.2 secs Computing kpt #: 349 total cpu time spent up to now is 43.3 secs Computing kpt #: 350 total cpu time spent up to now is 43.5 secs Computing kpt #: 351 total cpu time spent up to now is 43.6 secs Computing kpt #: 352 total cpu time spent up to now is 43.7 secs Computing kpt #: 353 total cpu time spent up to now is 43.8 secs Computing kpt #: 354 total cpu time spent up to now is 43.9 secs Computing kpt #: 355 total cpu time spent up to now is 44.0 secs Computing kpt #: 356 total cpu time spent up to now is 44.1 secs Computing kpt #: 357 total cpu time spent up to now is 44.3 secs Computing kpt #: 358 total cpu time spent up to now is 44.4 secs Computing kpt #: 359 total cpu time spent up to now is 44.5 secs Computing kpt #: 360 total cpu time spent up to now is 44.6 secs Computing kpt #: 361 total cpu time spent up to now is 44.7 secs Computing kpt #: 362 total cpu time spent up to now is 44.8 secs Computing kpt #: 363 total cpu time spent up to now is 44.9 secs Computing kpt #: 364 total cpu time spent up to now is 45.1 secs Computing kpt #: 365 total cpu time spent up to now is 45.2 secs Computing kpt #: 366 total cpu time spent up to now is 45.3 secs Computing kpt #: 367 total cpu time spent up to now is 45.4 secs Computing kpt #: 368 total cpu time spent up to now is 45.5 secs Computing kpt #: 369 total cpu time spent up to now is 45.6 secs Computing kpt #: 370 total cpu time spent up to now is 45.7 secs Computing kpt #: 371 total cpu time spent up to now is 45.9 secs Computing kpt #: 372 total cpu time spent up to now is 46.0 secs Computing kpt #: 373 total cpu time spent up to now is 46.1 secs Computing kpt #: 374 total cpu time spent up to now is 46.2 secs Computing kpt #: 375 total cpu time spent up to now is 46.3 secs Computing kpt #: 376 total cpu time spent up to now is 46.4 secs Computing kpt #: 377 total cpu time spent up to now is 46.5 secs Computing kpt #: 378 total cpu time spent up to now is 46.7 secs Computing kpt #: 379 total cpu time spent up to now is 46.8 secs Computing kpt #: 380 total cpu time spent up to now is 46.9 secs Computing kpt #: 381 total cpu time spent up to now is 47.0 secs Computing kpt #: 382 total cpu time spent up to now is 47.1 secs Computing kpt #: 383 total cpu time spent up to now is 47.2 secs Computing kpt #: 384 total cpu time spent up to now is 47.3 secs Computing kpt #: 385 total cpu time spent up to now is 47.5 secs Computing kpt #: 386 total cpu time spent up to now is 47.6 secs Computing kpt #: 387 total cpu time spent up to now is 47.7 secs Computing kpt #: 388 total cpu time spent up to now is 47.8 secs Computing kpt #: 389 total cpu time spent up to now is 47.9 secs Computing kpt #: 390 total cpu time spent up to now is 48.1 secs Computing kpt #: 391 total cpu time spent up to now is 48.2 secs Computing kpt #: 392 total cpu time spent up to now is 48.3 secs Computing kpt #: 393 total cpu time spent up to now is 48.4 secs Computing kpt #: 394 total cpu time spent up to now is 48.6 secs Computing kpt #: 395 total cpu time spent up to now is 48.7 secs Computing kpt #: 396 total cpu time spent up to now is 48.8 secs Computing kpt #: 397 total cpu time spent up to now is 49.0 secs Computing kpt #: 398 total cpu time spent up to now is 49.1 secs Computing kpt #: 399 total cpu time spent up to now is 49.2 secs Computing kpt #: 400 total cpu time spent up to now is 49.4 secs Computing kpt #: 401 total cpu time spent up to now is 49.5 secs Computing kpt #: 402 total cpu time spent up to now is 49.6 secs Computing kpt #: 403 total cpu time spent up to now is 49.8 secs Computing kpt #: 404 total cpu time spent up to now is 49.9 secs Computing kpt #: 405 total cpu time spent up to now is 50.1 secs Computing kpt #: 406 total cpu time spent up to now is 50.2 secs Computing kpt #: 407 total cpu time spent up to now is 50.4 secs Computing kpt #: 408 total cpu time spent up to now is 50.5 secs Computing kpt #: 409 total cpu time spent up to now is 50.7 secs Computing kpt #: 410 total cpu time spent up to now is 50.8 secs Computing kpt #: 411 total cpu time spent up to now is 51.0 secs Computing kpt #: 412 total cpu time spent up to now is 51.1 secs Computing kpt #: 413 total cpu time spent up to now is 51.2 secs Computing kpt #: 414 total cpu time spent up to now is 51.4 secs Computing kpt #: 415 total cpu time spent up to now is 51.5 secs Computing kpt #: 416 total cpu time spent up to now is 51.6 secs Computing kpt #: 417 total cpu time spent up to now is 51.8 secs Computing kpt #: 418 total cpu time spent up to now is 51.9 secs Computing kpt #: 419 total cpu time spent up to now is 52.0 secs Computing kpt #: 420 total cpu time spent up to now is 52.1 secs Computing kpt #: 421 total cpu time spent up to now is 52.3 secs Computing kpt #: 422 total cpu time spent up to now is 52.4 secs Computing kpt #: 423 total cpu time spent up to now is 52.5 secs Computing kpt #: 424 total cpu time spent up to now is 52.6 secs Computing kpt #: 425 total cpu time spent up to now is 52.8 secs Computing kpt #: 426 total cpu time spent up to now is 52.9 secs Computing kpt #: 427 total cpu time spent up to now is 53.0 secs Computing kpt #: 428 total cpu time spent up to now is 53.2 secs Computing kpt #: 429 total cpu time spent up to now is 53.3 secs Computing kpt #: 430 total cpu time spent up to now is 53.4 secs Computing kpt #: 431 total cpu time spent up to now is 53.5 secs Computing kpt #: 432 total cpu time spent up to now is 53.6 secs Computing kpt #: 433 total cpu time spent up to now is 53.8 secs Computing kpt #: 434 total cpu time spent up to now is 53.9 secs Computing kpt #: 435 total cpu time spent up to now is 54.0 secs Computing kpt #: 436 total cpu time spent up to now is 54.1 secs Computing kpt #: 437 total cpu time spent up to now is 54.3 secs Computing kpt #: 438 total cpu time spent up to now is 54.4 secs Computing kpt #: 439 total cpu time spent up to now is 54.6 secs Computing kpt #: 440 total cpu time spent up to now is 54.7 secs Computing kpt #: 441 total cpu time spent up to now is 54.9 secs Computing kpt #: 442 total cpu time spent up to now is 55.0 secs Computing kpt #: 443 total cpu time spent up to now is 55.1 secs Computing kpt #: 444 total cpu time spent up to now is 55.3 secs Computing kpt #: 445 total cpu time spent up to now is 55.4 secs Computing kpt #: 446 total cpu time spent up to now is 55.6 secs Computing kpt #: 447 total cpu time spent up to now is 55.7 secs Computing kpt #: 448 total cpu time spent up to now is 55.9 secs Computing kpt #: 449 total cpu time spent up to now is 56.0 secs Computing kpt #: 450 total cpu time spent up to now is 56.2 secs Computing kpt #: 451 total cpu time spent up to now is 56.3 secs Computing kpt #: 452 total cpu time spent up to now is 56.4 secs Computing kpt #: 453 total cpu time spent up to now is 56.6 secs Computing kpt #: 454 total cpu time spent up to now is 56.7 secs Computing kpt #: 455 total cpu time spent up to now is 56.9 secs Computing kpt #: 456 total cpu time spent up to now is 57.0 secs Computing kpt #: 457 total cpu time spent up to now is 57.1 secs Computing kpt #: 458 total cpu time spent up to now is 57.3 secs Computing kpt #: 459 total cpu time spent up to now is 57.4 secs Computing kpt #: 460 total cpu time spent up to now is 57.5 secs Computing kpt #: 461 total cpu time spent up to now is 57.7 secs Computing kpt #: 462 total cpu time spent up to now is 57.8 secs Computing kpt #: 463 total cpu time spent up to now is 58.0 secs Computing kpt #: 464 total cpu time spent up to now is 58.1 secs Computing kpt #: 465 total cpu time spent up to now is 58.2 secs Computing kpt #: 466 total cpu time spent up to now is 58.4 secs Computing kpt #: 467 total cpu time spent up to now is 58.5 secs Computing kpt #: 468 total cpu time spent up to now is 58.6 secs Computing kpt #: 469 total cpu time spent up to now is 58.8 secs Computing kpt #: 470 total cpu time spent up to now is 58.9 secs Computing kpt #: 471 total cpu time spent up to now is 59.0 secs Computing kpt #: 472 total cpu time spent up to now is 59.2 secs Computing kpt #: 473 total cpu time spent up to now is 59.3 secs Computing kpt #: 474 total cpu time spent up to now is 59.5 secs Computing kpt #: 475 total cpu time spent up to now is 59.6 secs Computing kpt #: 476 total cpu time spent up to now is 59.8 secs Computing kpt #: 477 total cpu time spent up to now is 59.9 secs Computing kpt #: 478 total cpu time spent up to now is 60.1 secs Computing kpt #: 479 total cpu time spent up to now is 60.2 secs Computing kpt #: 480 total cpu time spent up to now is 60.4 secs Computing kpt #: 481 total cpu time spent up to now is 60.6 secs Computing kpt #: 482 total cpu time spent up to now is 60.7 secs Computing kpt #: 483 total cpu time spent up to now is 60.9 secs Computing kpt #: 484 total cpu time spent up to now is 61.0 secs Computing kpt #: 485 total cpu time spent up to now is 61.2 secs Computing kpt #: 486 total cpu time spent up to now is 61.4 secs ethr = 5.56E-08, avg # of iterations = 16.2 total cpu time spent up to now is 61.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2123 PWs) bands (ev): -41.6737 -41.6737 -18.2928 -18.2928 -17.6697 -17.6697 -17.4996 -17.4996 1.7391 1.7391 12.6591 12.6591 12.6674 12.6674 12.9400 12.9400 13.1561 13.1561 17.1676 17.1676 17.1887 17.1887 18.9283 18.9283 18.9569 18.9569 k = 0.0083 0.0048-0.0000 ( 2123 PWs) bands (ev): -41.6736 -41.6736 -18.2928 -18.2928 -17.6698 -17.6698 -17.4998 -17.4998 1.7405 1.7405 12.6566 12.6566 12.6657 12.6657 12.9389 12.9389 13.1568 13.1568 17.1685 17.1685 17.1898 17.1898 18.9217 18.9217 18.9505 18.9505 k = 0.0167 0.0096-0.0000 ( 2113 PWs) bands (ev): -41.6735 -41.6735 -18.2930 -18.2930 -17.6700 -17.6700 -17.5003 -17.5003 1.7445 1.7445 12.6461 12.6461 12.6634 12.6634 12.9354 12.9354 13.1588 13.1588 17.1702 17.1702 17.1941 17.1941 18.9025 18.9025 18.9314 18.9314 k = 0.0250 0.0144-0.0000 ( 2105 PWs) bands (ev): -41.6733 -41.6733 -18.2932 -18.2932 -17.6704 -17.6704 -17.5012 -17.5012 1.7512 1.7512 12.6267 12.6267 12.6617 12.6617 12.9297 12.9297 13.1622 13.1622 17.1707 17.1707 17.2036 17.2036 18.8712 18.8712 18.9010 18.9010 k = 0.0333 0.0192-0.0000 ( 2101 PWs) bands (ev): -41.6731 -41.6731 -18.2935 -18.2935 -17.6709 -17.6709 -17.5024 -17.5024 1.7607 1.7607 12.5991 12.5991 12.6598 12.6598 12.9219 12.9219 13.1671 13.1671 17.1693 17.1693 17.2188 17.2188 18.8291 18.8291 18.8610 18.8610 k = 0.0417 0.0241-0.0000 ( 2101 PWs) bands (ev): -41.6727 -41.6727 -18.2939 -18.2939 -17.6717 -17.6717 -17.5040 -17.5040 1.7727 1.7727 12.5636 12.5636 12.6576 12.6576 12.9119 12.9119 13.1733 13.1733 17.1665 17.1665 17.2393 17.2393 18.7773 18.7773 18.8133 18.8133 k = 0.0500 0.0289-0.0000 ( 2101 PWs) bands (ev): -41.6723 -41.6723 -18.2945 -18.2945 -17.6725 -17.6725 -17.5059 -17.5059 1.7875 1.7875 12.5204 12.5204 12.6549 12.6549 12.8998 12.8998 13.1809 13.1809 17.1625 17.1625 17.2646 17.2646 18.7173 18.7173 18.7599 18.7599 k = 0.0583 0.0337-0.0000 ( 2100 PWs) bands (ev): -41.6719 -41.6719 -18.2951 -18.2951 -17.6735 -17.6735 -17.5082 -17.5082 1.8049 1.8049 12.4698 12.4698 12.6517 12.6517 12.8859 12.8859 13.1899 13.1899 17.1576 17.1576 17.2944 17.2944 18.6507 18.6507 18.7025 18.7025 k = 0.0667 0.0385-0.0000 ( 2094 PWs) bands (ev): -41.6713 -41.6713 -18.2958 -18.2958 -17.6747 -17.6747 -17.5107 -17.5107 1.8250 1.8250 12.4122 12.4122 12.6480 12.6480 12.8702 12.8702 13.2002 13.2002 17.1519 17.1519 17.3283 17.3283 18.5790 18.5790 18.6425 18.6425 k = 0.0750 0.0433-0.0000 ( 2092 PWs) bands (ev): -41.6707 -41.6707 -18.2966 -18.2966 -17.6761 -17.6761 -17.5136 -17.5136 1.8477 1.8477 12.3476 12.3476 12.6437 12.6437 12.8528 12.8528 13.2117 13.2117 17.1453 17.1453 17.3662 17.3662 18.5034 18.5034 18.5811 18.5811 k = 0.0833 0.0481-0.0000 ( 2088 PWs) bands (ev): -41.6700 -41.6700 -18.2975 -18.2975 -17.6776 -17.6776 -17.5167 -17.5167 1.8731 1.8731 12.2766 12.2766 12.6388 12.6388 12.8340 12.8340 13.2244 13.2244 17.1381 17.1381 17.4079 17.4079 18.4254 18.4254 18.5193 18.5193 k = 0.0917 0.0529-0.0000 ( 2088 PWs) bands (ev): -41.6693 -41.6693 -18.2985 -18.2985 -17.6792 -17.6792 -17.5200 -17.5200 1.9010 1.9010 12.1994 12.1994 12.6333 12.6333 12.8138 12.8138 13.2380 13.2380 17.1301 17.1301 17.4530 17.4530 18.3459 18.3459 18.4577 18.4577 k = 0.1000 0.0577-0.0000 ( 2084 PWs) bands (ev): -41.6685 -41.6685 -18.2997 -18.2997 -17.6811 -17.6811 -17.5236 -17.5236 1.9316 1.9316 12.1164 12.1164 12.6272 12.6272 12.7923 12.7923 13.2525 13.2525 17.1214 17.1214 17.5014 17.5014 18.2658 18.2658 18.3971 18.3971 k = 0.1083 0.0625-0.0000 ( 2074 PWs) bands (ev): -41.6676 -41.6676 -18.3009 -18.3009 -17.6831 -17.6831 -17.5274 -17.5274 1.9647 1.9647 12.0280 12.0280 12.6203 12.6203 12.7699 12.7699 13.2678 13.2678 17.1121 17.1121 17.5526 17.5526 18.1860 18.1860 18.3380 18.3380 k = 0.1167 0.0674-0.0000 ( 2076 PWs) bands (ev): -41.6667 -41.6667 -18.3023 -18.3023 -17.6852 -17.6852 -17.5314 -17.5314 2.0004 2.0004 11.9345 11.9345 12.6128 12.6128 12.7465 12.7465 13.2835 13.2835 17.1022 17.1022 17.6066 17.6066 18.1073 18.1073 18.2809 18.2809 k = 0.1250 0.0722-0.0000 ( 2076 PWs) bands (ev): -41.6657 -41.6657 -18.3037 -18.3037 -17.6875 -17.6875 -17.5355 -17.5355 2.0386 2.0386 11.8362 11.8362 12.6045 12.6045 12.7224 12.7224 13.2996 13.2996 17.0917 17.0917 17.6629 17.6629 18.0301 18.0301 18.2261 18.2261 k = 0.1333 0.0770-0.0000 ( 2074 PWs) bands (ev): -41.6647 -41.6647 -18.3053 -18.3053 -17.6900 -17.6900 -17.5398 -17.5398 2.0794 2.0794 11.7335 11.7335 12.5955 12.5955 12.6976 12.6976 13.3158 13.3158 17.0806 17.0806 17.7212 17.7212 17.9552 17.9552 18.1740 18.1740 k = 0.1417 0.0818-0.0000 ( 2074 PWs) bands (ev): -41.6636 -41.6636 -18.3070 -18.3070 -17.6927 -17.6927 -17.5442 -17.5442 2.1226 2.1226 11.6268 11.6268 12.5857 12.5857 12.6724 12.6724 13.3320 13.3320 17.0691 17.0691 17.7809 17.7809 17.8834 17.8834 18.1246 18.1246 k = 0.1500 0.0866-0.0000 ( 2076 PWs) bands (ev): -41.6624 -41.6624 -18.3089 -18.3089 -17.6955 -17.6955 -17.5486 -17.5486 2.1683 2.1683 11.5164 11.5164 12.5751 12.5751 12.6469 12.6469 13.3479 13.3479 17.0571 17.0571 17.8112 17.8112 17.8457 17.8457 18.0783 18.0783 k = 0.1583 0.0914-0.0000 ( 2076 PWs) bands (ev): -41.6613 -41.6613 -18.3108 -18.3108 -17.6984 -17.6984 -17.5531 -17.5531 2.2165 2.2165 11.4025 11.4025 12.5637 12.5637 12.6212 12.6212 13.3632 13.3632 17.0447 17.0447 17.7477 17.7477 17.9065 17.9065 18.0353 18.0353 k = 0.1667 0.0962-0.0000 ( 2074 PWs) bands (ev): -41.6600 -41.6600 -18.3129 -18.3129 -17.7016 -17.7016 -17.5577 -17.5577 2.2671 2.2671 11.2854 11.2854 12.5515 12.5515 12.5955 12.5955 13.3778 13.3778 17.0318 17.0318 17.6867 17.6867 17.9690 17.9690 17.9962 17.9962 k = 0.1750 0.1010-0.0000 ( 2078 PWs) bands (ev): -41.6588 -41.6588 -18.3151 -18.3151 -17.7049 -17.7049 -17.5622 -17.5622 2.3201 2.3201 11.1655 11.1655 12.5385 12.5385 12.5698 12.5698 13.3914 13.3914 17.0186 17.0186 17.6300 17.6300 17.9582 17.9582 18.0343 18.0343 k = 0.1833 0.1058-0.0000 ( 2076 PWs) bands (ev): -41.6575 -41.6575 -18.3175 -18.3175 -17.7083 -17.7083 -17.5667 -17.5667 2.3755 2.3755 11.0430 11.0430 12.5245 12.5245 12.5444 12.5444 13.4038 13.4038 17.0052 17.0052 17.5782 17.5782 17.9252 17.9252 18.0982 18.0982 k = 0.1917 0.1107-0.0000 ( 2076 PWs) bands (ev): -41.6562 -41.6562 -18.3200 -18.3200 -17.7119 -17.7119 -17.5712 -17.5712 2.4332 2.4332 10.9181 10.9181 12.5090 12.5090 12.5201 12.5201 13.4148 13.4148 16.9914 16.9914 17.5316 17.5316 17.8954 17.8954 18.1619 18.1619 k = 0.2000 0.1155-0.0000 ( 2072 PWs) bands (ev): -41.6548 -41.6548 -18.3225 -18.3225 -17.7156 -17.7156 -17.5756 -17.5756 2.4932 2.4932 10.7911 10.7911 12.4896 12.4896 12.4991 12.4991 13.4240 13.4240 16.9774 16.9774 17.4905 17.4905 17.8690 17.8690 18.2249 18.2249 k = 0.2083 0.1203-0.0000 ( 2076 PWs) bands (ev): -41.6535 -41.6535 -18.3253 -18.3253 -17.7195 -17.7195 -17.5799 -17.5799 2.5556 2.5556 10.6622 10.6622 12.4664 12.4664 12.4818 12.4818 13.4315 13.4315 16.9632 16.9632 17.4551 17.4551 17.8458 17.8458 18.2868 18.2868 k = 0.2167 0.1251-0.0000 ( 2076 PWs) bands (ev): -41.6521 -41.6521 -18.3281 -18.3281 -17.7235 -17.7235 -17.5841 -17.5841 2.6201 2.6201 10.5316 10.5316 12.4424 12.4424 12.4650 12.4650 13.4370 13.4370 16.9489 16.9489 17.4258 17.4258 17.8259 17.8259 18.3472 18.3472 k = 0.2250 0.1299-0.0000 ( 2074 PWs) bands (ev): -41.6507 -41.6507 -18.3310 -18.3310 -17.7276 -17.7276 -17.5882 -17.5882 2.6870 2.6870 10.3995 10.3995 12.4187 12.4187 12.4478 12.4478 13.4402 13.4402 16.9344 16.9344 17.4026 17.4026 17.8092 17.8092 18.4057 18.4057 k = 0.2333 0.1347-0.0000 ( 2080 PWs) bands (ev): -41.6492 -41.6492 -18.3341 -18.3341 -17.7318 -17.7318 -17.5922 -17.5922 2.7560 2.7560 10.2660 10.2660 12.3955 12.3955 12.4302 12.4302 13.4413 13.4413 16.9199 16.9199 17.3857 17.3857 17.7956 17.7956 18.4619 18.4619 k = 0.2417 0.1395-0.0000 ( 2080 PWs) bands (ev): -41.6478 -41.6478 -18.3373 -18.3373 -17.7360 -17.7360 -17.5960 -17.5960 2.8272 2.8272 10.1314 10.1314 12.3728 12.3728 12.4122 12.4122 13.4400 13.4400 16.9053 16.9053 17.3751 17.3751 17.7849 17.7849 18.5153 18.5153 k = 0.2500 0.1443-0.0000 ( 2080 PWs) bands (ev): -41.6464 -41.6464 -18.3405 -18.3405 -17.7404 -17.7404 -17.5996 -17.5996 2.9005 2.9005 9.9958 9.9958 12.3508 12.3508 12.3938 12.3938 13.4364 13.4364 16.8908 16.8908 17.3709 17.3709 17.7771 17.7771 18.5654 18.5654 k = 0.2583 0.1491-0.0000 ( 2086 PWs) bands (ev): -41.6449 -41.6449 -18.3439 -18.3439 -17.7447 -17.7447 -17.6031 -17.6031 2.9760 2.9760 9.8593 9.8593 12.3294 12.3294 12.3751 12.3751 13.4305 13.4305 16.8763 16.8763 17.3730 17.3730 17.7721 17.7721 18.6121 18.6121 k = 0.2667 0.1540-0.0000 ( 2084 PWs) bands (ev): -41.6435 -41.6435 -18.3473 -18.3473 -17.7491 -17.7491 -17.6065 -17.6065 3.0535 3.0535 9.7221 9.7221 12.3088 12.3088 12.3561 12.3561 13.4223 13.4223 16.8619 16.8619 17.3813 17.3813 17.7696 17.7696 18.6548 18.6548 k = 0.2750 0.1588-0.0000 ( 2088 PWs) bands (ev): -41.6421 -41.6421 -18.3508 -18.3508 -17.7536 -17.7536 -17.6097 -17.6097 3.1331 3.1331 9.5842 9.5842 12.2889 12.2889 12.3369 12.3369 13.4119 13.4119 16.8477 16.8477 17.3956 17.3956 17.7695 17.7695 18.6932 18.6932 k = 0.2833 0.1636-0.0000 ( 2088 PWs) bands (ev): -41.6407 -41.6407 -18.3544 -18.3544 -17.7580 -17.7580 -17.6127 -17.6127 3.2147 3.2147 9.4459 9.4459 12.2698 12.2698 12.3175 12.3175 13.3994 13.3994 16.8336 16.8336 17.4157 17.4157 17.7717 17.7717 18.7272 18.7272 k = 0.2917 0.1684-0.0000 ( 2088 PWs) bands (ev): -41.6393 -41.6393 -18.3580 -18.3580 -17.7623 -17.7623 -17.6156 -17.6156 3.2983 3.2983 9.3072 9.3072 12.2515 12.2515 12.2982 12.2982 13.3851 13.3851 16.8197 16.8197 17.4414 17.4414 17.7759 17.7759 18.7564 18.7564 k = 0.3000 0.1732-0.0000 ( 2096 PWs) bands (ev): -41.6379 -41.6379 -18.3617 -18.3617 -17.7666 -17.7666 -17.6183 -17.6183 3.3839 3.3839 9.1683 9.1683 12.2340 12.2340 12.2788 12.2788 13.3691 13.3691 16.8060 16.8060 17.4723 17.4723 17.7821 17.7821 18.7809 18.7809 k = 0.3083 0.1780-0.0000 ( 2096 PWs) bands (ev): -41.6366 -41.6366 -18.3654 -18.3654 -17.7709 -17.7709 -17.6209 -17.6209 3.4714 3.4714 9.0292 9.0292 12.2173 12.2173 12.2596 12.2596 13.3517 13.3517 16.7926 16.7926 17.5080 17.5080 17.7900 17.7900 18.8006 18.8006 k = 0.3167 0.1828-0.0000 ( 2088 PWs) bands (ev): -41.6352 -41.6352 -18.3690 -18.3690 -17.7751 -17.7751 -17.6233 -17.6233 3.5608 3.5608 8.8901 8.8901 12.2015 12.2015 12.2405 12.2405 13.3329 13.3329 16.7795 16.7795 17.5482 17.5482 17.7995 17.7995 18.8154 18.8154 k = 0.3250 0.1876-0.0000 ( 2088 PWs) bands (ev): -41.6339 -41.6339 -18.3727 -18.3727 -17.7791 -17.7791 -17.6256 -17.6256 3.6520 3.6520 8.7509 8.7509 12.1864 12.1864 12.2218 12.2218 13.3131 13.3131 16.7668 16.7668 17.5924 17.5924 17.8103 17.8103 18.8258 18.8258 k = 0.3333 0.1925-0.0000 ( 2088 PWs) bands (ev): -41.6327 -41.6327 -18.3764 -18.3764 -17.7831 -17.7831 -17.6277 -17.6277 3.7451 3.7451 8.6119 8.6119 12.1722 12.1722 12.2033 12.2033 13.2926 13.2926 16.7545 16.7545 17.6401 17.6401 17.8223 17.8223 18.8317 18.8317 k = 0.3417 0.1973-0.0000 ( 2084 PWs) bands (ev): -41.6314 -41.6314 -18.3800 -18.3800 -17.7869 -17.7869 -17.6297 -17.6297 3.8400 3.8400 8.4730 8.4730 12.1587 12.1587 12.1853 12.1853 13.2714 13.2714 16.7425 16.7425 17.6908 17.6908 17.8353 17.8353 18.8336 18.8336 k = 0.3500 0.2021-0.0000 ( 2086 PWs) bands (ev): -41.6303 -41.6303 -18.3836 -18.3836 -17.7906 -17.7906 -17.6315 -17.6315 3.9367 3.9367 8.3345 8.3345 12.1461 12.1461 12.1678 12.1678 13.2500 13.2500 16.7310 16.7310 17.7440 17.7440 17.8494 17.8494 18.8319 18.8319 k = 0.3583 0.2069-0.0000 ( 2094 PWs) bands (ev): -41.6291 -41.6291 -18.3870 -18.3870 -17.7942 -17.7942 -17.6333 -17.6333 4.0351 4.0351 8.1962 8.1962 12.1342 12.1342 12.1509 12.1509 13.2284 13.2284 16.7199 16.7199 17.7985 17.7985 17.8647 17.8647 18.8270 18.8270 k = 0.3667 0.2117-0.0000 ( 2094 PWs) bands (ev): -41.6280 -41.6280 -18.3904 -18.3904 -17.7975 -17.7975 -17.6349 -17.6349 4.1352 4.1352 8.0584 8.0584 12.1229 12.1229 12.1347 12.1347 13.2070 13.2070 16.7093 16.7093 17.8512 17.8512 17.8838 17.8838 18.8193 18.8193 k = 0.3750 0.2165-0.0000 ( 2094 PWs) bands (ev): -41.6270 -41.6270 -18.3937 -18.3937 -17.8008 -17.8008 -17.6364 -17.6364 4.2370 4.2370 7.9210 7.9210 12.1121 12.1121 12.1196 12.1196 13.1858 13.1858 16.6993 16.6993 17.8849 17.8849 17.9230 17.9230 18.8093 18.8093 k = 0.3833 0.2213-0.0000 ( 2096 PWs) bands (ev): -41.6260 -41.6260 -18.3969 -18.3969 -17.8038 -17.8038 -17.6377 -17.6377 4.3404 4.3404 7.7841 7.7841 12.1006 12.1006 12.1066 12.1066 13.1652 13.1652 16.6897 16.6897 17.9029 17.9029 17.9785 17.9785 18.7975 18.7975 k = 0.3917 0.2261-0.0000 ( 2096 PWs) bands (ev): -41.6251 -41.6251 -18.3999 -18.3999 -17.8066 -17.8066 -17.6390 -17.6390 4.4455 4.4455 7.6478 7.6478 12.0878 12.0878 12.0965 12.0965 13.1453 13.1453 16.6808 16.6808 17.9184 17.9184 18.0361 18.0361 18.7844 18.7844 k = 0.4000 0.2309-0.0000 ( 2092 PWs) bands (ev): -41.6242 -41.6242 -18.4028 -18.4028 -17.8093 -17.8093 -17.6401 -17.6401 4.5521 4.5521 7.5122 7.5122 12.0749 12.0749 12.0881 12.0881 13.1262 13.1262 16.6724 16.6724 17.9330 17.9330 18.0934 18.0934 18.7704 18.7704 k = 0.4083 0.2358-0.0000 ( 2096 PWs) bands (ev): -41.6234 -41.6234 -18.4055 -18.4055 -17.8118 -17.8118 -17.6412 -17.6412 4.6603 4.6603 7.3772 7.3772 12.0626 12.0626 12.0806 12.0806 13.1081 13.1081 16.6646 16.6646 17.9469 17.9469 18.1495 18.1495 18.7560 18.7560 k = 0.4167 0.2406-0.0000 ( 2100 PWs) bands (ev): -41.6226 -41.6226 -18.4080 -18.4080 -17.8140 -17.8140 -17.6421 -17.6421 4.7700 4.7700 7.2431 7.2431 12.0511 12.0511 12.0740 12.0740 13.0911 13.0911 16.6574 16.6574 17.9602 17.9602 18.2037 18.2037 18.7415 18.7415 k = 0.4250 0.2454-0.0000 ( 2100 PWs) bands (ev): -41.6219 -41.6219 -18.4104 -18.4104 -17.8161 -17.8161 -17.6430 -17.6430 4.8811 4.8811 7.1097 7.1097 12.0406 12.0406 12.0680 12.0680 13.0754 13.0754 16.6509 16.6509 17.9725 17.9725 18.2553 18.2553 18.7273 18.7273 k = 0.4333 0.2502-0.0000 ( 2100 PWs) bands (ev): -41.6213 -41.6213 -18.4125 -18.4125 -17.8179 -17.8179 -17.6437 -17.6437 4.9937 4.9937 6.9772 6.9772 12.0311 12.0311 12.0628 12.0628 13.0610 13.0610 16.6450 16.6450 17.9839 17.9839 18.3036 18.3036 18.7137 18.7137 k = 0.4417 0.2550-0.0000 ( 2100 PWs) bands (ev): -41.6207 -41.6207 -18.4144 -18.4144 -17.8196 -17.8196 -17.6443 -17.6443 5.1077 5.1077 6.8457 6.8457 12.0226 12.0226 12.0582 12.0582 13.0482 13.0482 16.6397 16.6397 17.9943 17.9943 18.3481 18.3481 18.7011 18.7011 k = 0.4500 0.2598-0.0000 ( 2100 PWs) bands (ev): -41.6203 -41.6203 -18.4160 -18.4160 -17.8210 -17.8210 -17.6449 -17.6449 5.2229 5.2229 6.7151 6.7151 12.0152 12.0152 12.0542 12.0542 13.0368 13.0368 16.6352 16.6352 18.0035 18.0035 18.3880 18.3880 18.6896 18.6896 k = 0.4583 0.2646-0.0000 ( 2096 PWs) bands (ev): -41.6199 -41.6199 -18.4175 -18.4175 -17.8222 -17.8222 -17.6454 -17.6454 5.3394 5.3394 6.5857 6.5857 12.0089 12.0089 12.0509 12.0509 13.0271 13.0271 16.6313 16.6313 18.0115 18.0115 18.4229 18.4229 18.6795 18.6795 k = 0.4667 0.2694-0.0000 ( 2096 PWs) bands (ev): -41.6195 -41.6195 -18.4186 -18.4186 -17.8232 -17.8232 -17.6458 -17.6458 5.4569 5.4569 6.4576 6.4576 12.0037 12.0037 12.0482 12.0482 13.0191 13.0191 16.6281 16.6281 18.0181 18.0181 18.4522 18.4522 18.6710 18.6710 k = 0.4750 0.2742-0.0000 ( 2100 PWs) bands (ev): -41.6193 -41.6193 -18.4196 -18.4196 -17.8240 -17.8240 -17.6461 -17.6461 5.5752 5.5752 6.3311 6.3311 11.9996 11.9996 12.0462 12.0462 13.0128 13.0128 16.6256 16.6256 18.0233 18.0233 18.4755 18.4755 18.6643 18.6643 k = 0.4833 0.2791-0.0000 ( 2100 PWs) bands (ev): -41.6191 -41.6191 -18.4202 -18.4202 -17.8245 -17.8245 -17.6463 -17.6463 5.6933 5.6933 6.2071 6.2071 11.9967 11.9967 12.0447 12.0447 13.0083 13.0083 16.6239 16.6239 18.0271 18.0271 18.4925 18.4925 18.6593 18.6593 k = 0.4917 0.2839-0.0000 ( 2104 PWs) bands (ev): -41.6190 -41.6190 -18.4206 -18.4206 -17.8248 -17.8248 -17.6464 -17.6464 5.8075 5.8075 6.0893 6.0893 11.9950 11.9950 12.0438 12.0438 13.0056 13.0056 16.6228 16.6228 18.0293 18.0293 18.5027 18.5027 18.6564 18.6564 k = 0.5000 0.2887-0.0000 ( 2106 PWs) bands (ev): -41.6189 -41.6189 -18.4208 -18.4208 -17.8250 -17.8250 -17.6464 -17.6464 5.8810 5.8810 6.0146 6.0146 11.9944 11.9944 12.0435 12.0435 13.0047 13.0047 16.6224 16.6224 18.0301 18.0301 18.5062 18.5062 18.6554 18.6554 k = 0.5000 0.2887-0.0000 ( 2106 PWs) bands (ev): -41.6189 -41.6189 -18.4208 -18.4208 -17.8250 -17.8250 -17.6464 -17.6464 5.8810 5.8810 6.0146 6.0146 11.9944 11.9944 12.0435 12.0435 13.0047 13.0047 16.6224 16.6224 18.0301 18.0301 18.5062 18.5062 18.6554 18.6554 k = 0.4952 0.2969-0.0000 ( 2106 PWs) bands (ev): -41.6189 -41.6189 -18.4207 -18.4207 -17.8249 -17.8249 -17.6466 -17.6466 5.8824 5.8824 6.0154 6.0154 11.9752 11.9752 12.0447 12.0447 13.0228 13.0228 16.6119 16.6119 18.0277 18.0277 18.5049 18.5049 18.6670 18.6670 k = 0.4905 0.3052-0.0000 ( 2102 PWs) bands (ev): -41.6189 -41.6189 -18.4207 -18.4207 -17.8248 -17.8248 -17.6471 -17.6471 5.8865 5.8865 6.0176 6.0176 11.9213 11.9213 12.0482 12.0482 13.0735 13.0735 16.5811 16.5811 18.0204 18.0204 18.5012 18.5012 18.7013 18.7013 k = 0.4857 0.3134-0.0000 ( 2102 PWs) bands (ev): -41.6188 -41.6188 -18.4206 -18.4206 -17.8245 -17.8245 -17.6479 -17.6479 5.8933 5.8933 6.0213 6.0213 11.8408 11.8408 12.0540 12.0540 13.1487 13.1487 16.5319 16.5319 18.0083 18.0083 18.4949 18.4949 18.7562 18.7562 k = 0.4810 0.3217-0.0000 ( 2102 PWs) bands (ev): -41.6187 -41.6187 -18.4205 -18.4205 -17.8242 -17.8242 -17.6491 -17.6491 5.9028 5.9028 6.0264 6.0264 11.7417 11.7417 12.0621 12.0621 13.2405 13.2405 16.4670 16.4670 17.9917 17.9917 18.4862 18.4862 18.8291 18.8291 k = 0.4762 0.3299-0.0000 ( 2106 PWs) bands (ev): -41.6186 -41.6186 -18.4203 -18.4203 -17.8238 -17.8238 -17.6506 -17.6506 5.9151 5.9151 6.0330 6.0330 11.6298 11.6298 12.0726 12.0726 13.3430 13.3430 16.3894 16.3894 17.9707 17.9707 18.4749 18.4749 18.9169 18.9169 k = 0.4714 0.3382-0.0000 ( 2106 PWs) bands (ev): -41.6185 -41.6185 -18.4201 -18.4201 -17.8233 -17.8233 -17.6524 -17.6524 5.9300 5.9300 6.0411 6.0411 11.5092 11.5092 12.0854 12.0854 13.4524 13.4524 16.3016 16.3016 17.9454 17.9454 18.4612 18.4612 19.0170 19.0170 k = 0.4667 0.3464-0.0000 ( 2106 PWs) bands (ev): -41.6183 -41.6183 -18.4199 -18.4199 -17.8227 -17.8227 -17.6544 -17.6544 5.9476 5.9476 6.0507 6.0507 11.3825 11.3825 12.1005 12.1005 13.5660 13.5660 16.2061 16.2061 17.9163 17.9163 18.4450 18.4450 19.1269 19.1269 k = 0.4619 0.3547-0.0000 ( 2102 PWs) bands (ev): -41.6182 -41.6182 -18.4197 -18.4197 -17.8221 -17.8221 -17.6568 -17.6568 5.9678 5.9678 6.0618 6.0618 11.2513 11.2513 12.1179 12.1179 13.6825 13.6825 16.1048 16.1048 17.8836 17.8836 18.4262 18.4262 19.2447 19.2447 k = 0.4571 0.3629-0.0000 ( 2102 PWs) bands (ev): -41.6180 -41.6180 -18.4194 -18.4194 -17.8213 -17.8213 -17.6595 -17.6595 5.9906 5.9906 6.0743 6.0743 11.1167 11.1167 12.1376 12.1376 13.8006 13.8006 15.9992 15.9992 17.8476 17.8476 18.4051 18.4051 19.3686 19.3686 k = 0.4524 0.3712-0.0000 ( 2110 PWs) bands (ev): -41.6178 -41.6178 -18.4191 -18.4191 -17.8204 -17.8204 -17.6624 -17.6624 6.0161 6.0161 6.0883 6.0883 10.9795 10.9795 12.1596 12.1596 13.9199 13.9199 15.8906 15.8906 17.8086 17.8086 18.3814 18.3814 19.4973 19.4973 k = 0.4476 0.3794-0.0000 ( 2110 PWs) bands (ev): -41.6175 -41.6175 -18.4188 -18.4188 -17.8195 -17.8195 -17.6655 -17.6655 6.0440 6.0440 6.1039 6.1039 10.8403 10.8403 12.1839 12.1839 14.0397 14.0397 15.7799 15.7799 17.7670 17.7670 18.3553 18.3553 19.6297 19.6297 k = 0.4429 0.3876-0.0000 ( 2110 PWs) bands (ev): -41.6173 -41.6173 -18.4185 -18.4185 -17.8185 -17.8185 -17.6689 -17.6689 6.0744 6.0744 6.1210 6.1210 10.6996 10.6996 12.2105 12.2105 14.1599 14.1599 15.6680 15.6680 17.7231 17.7231 18.3268 18.3268 19.7649 19.7649 k = 0.4381 0.3959-0.0000 ( 2110 PWs) bands (ev): -41.6170 -41.6170 -18.4182 -18.4182 -17.8174 -17.8174 -17.6724 -17.6724 6.1072 6.1072 6.1397 6.1397 10.5578 10.5578 12.2393 12.2393 14.2802 14.2802 15.5554 15.5554 17.6773 17.6773 18.2959 18.2959 19.9022 19.9022 k = 0.4333 0.4041-0.0000 ( 2104 PWs) bands (ev): -41.6168 -41.6168 -18.4179 -18.4179 -17.8162 -17.8162 -17.6762 -17.6762 6.1420 6.1420 6.1604 6.1604 10.4150 10.4150 12.2704 12.2704 14.4005 14.4005 15.4427 15.4427 17.6298 17.6298 18.2626 18.2626 20.0407 20.0407 k = 0.4286 0.4124-0.0000 ( 2108 PWs) bands (ev): -41.6165 -41.6165 -18.4176 -18.4176 -17.8150 -17.8150 -17.6801 -17.6801 6.1757 6.1757 6.1859 6.1859 10.2715 10.2715 12.3038 12.3038 14.5206 14.5206 15.3302 15.3302 17.5809 17.5809 18.2270 18.2270 20.1800 20.1800 k = 0.4238 0.4206-0.0000 ( 2112 PWs) bands (ev): -41.6162 -41.6162 -18.4173 -18.4173 -17.8137 -17.8137 -17.6841 -17.6841 6.2019 6.2019 6.2228 6.2228 10.1277 10.1277 12.3394 12.3394 14.6405 14.6405 15.2184 15.2184 17.5309 17.5309 18.1890 18.1890 20.3193 20.3193 k = 0.4190 0.4289-0.0000 ( 2112 PWs) bands (ev): -41.6159 -41.6159 -18.4170 -18.4170 -17.8123 -17.8123 -17.6882 -17.6882 6.2270 6.2270 6.2645 6.2645 9.9836 9.9836 12.3771 12.3771 14.7601 14.7601 15.1074 15.1074 17.4802 17.4802 18.1488 18.1488 20.4583 20.4583 k = 0.4143 0.4371-0.0000 ( 2106 PWs) bands (ev): -41.6156 -41.6156 -18.4167 -18.4167 -17.8108 -17.8108 -17.6924 -17.6924 6.2532 6.2532 6.3088 6.3088 9.8396 9.8396 12.4171 12.4171 14.8788 14.8788 14.9981 14.9981 17.4289 17.4289 18.1064 18.1064 20.5963 20.5963 k = 0.4095 0.4454-0.0000 ( 2104 PWs) bands (ev): -41.6153 -41.6153 -18.4164 -18.4164 -17.8093 -17.8093 -17.6967 -17.6967 6.2809 6.2809 6.3552 6.3552 9.6957 9.6957 12.4593 12.4593 14.8873 14.8873 15.0000 15.0000 17.3773 17.3773 18.0619 18.0619 20.7328 20.7328 k = 0.4048 0.4536-0.0000 ( 2108 PWs) bands (ev): -41.6150 -41.6150 -18.4161 -18.4161 -17.8078 -17.8078 -17.7010 -17.7010 6.3100 6.3100 6.4036 6.4036 9.5522 9.5522 12.5036 12.5036 14.7807 14.7807 15.1179 15.1179 17.3256 17.3256 18.0152 18.0152 20.8673 20.8673 k = 0.4000 0.4619-0.0000 ( 2112 PWs) bands (ev): -41.6147 -41.6147 -18.4159 -18.4159 -17.8062 -17.8062 -17.7053 -17.7053 6.3406 6.3406 6.4538 6.4538 9.4093 9.4093 12.5501 12.5501 14.6752 14.6752 15.2360 15.2360 17.2740 17.2740 17.9666 17.9666 20.9993 20.9993 k = 0.3952 0.4701-0.0000 ( 2108 PWs) bands (ev): -41.6144 -41.6144 -18.4157 -18.4157 -17.8045 -17.8045 -17.7096 -17.7096 6.3727 6.3727 6.5056 6.5056 9.2673 9.2673 12.5987 12.5987 14.5712 14.5712 15.3536 15.3536 17.2228 17.2228 17.9162 17.9162 21.1281 21.1281 k = 0.3905 0.4784-0.0000 ( 2108 PWs) bands (ev): -41.6141 -41.6141 -18.4155 -18.4155 -17.8029 -17.8029 -17.7138 -17.7138 6.4063 6.4063 6.5587 6.5587 9.1265 9.1265 12.6493 12.6493 14.4691 14.4691 15.4707 15.4707 17.1720 17.1720 17.8639 17.8639 21.2532 21.2532 k = 0.3857 0.4866-0.0000 ( 2108 PWs) bands (ev): -41.6138 -41.6138 -18.4154 -18.4154 -17.8012 -17.8012 -17.7179 -17.7179 6.4415 6.4415 6.6130 6.6130 8.9872 8.9872 12.7021 12.7021 14.3688 14.3688 15.5871 15.5871 17.1219 17.1219 17.8101 17.8101 21.3739 21.3739 k = 0.3810 0.4949-0.0000 ( 2106 PWs) bands (ev): -41.6135 -41.6135 -18.4152 -18.4152 -17.7995 -17.7995 -17.7219 -17.7219 6.4783 6.4783 6.6679 6.6679 8.8498 8.8498 12.7569 12.7569 14.2706 14.2706 15.7025 15.7025 17.0727 17.0727 17.7548 17.7548 21.4895 21.4895 k = 0.3762 0.5031-0.0000 ( 2106 PWs) bands (ev): -41.6133 -41.6133 -18.4151 -18.4151 -17.7978 -17.7978 -17.7258 -17.7258 6.5166 6.5166 6.7230 6.7230 8.7148 8.7148 12.8137 12.8137 14.1744 14.1744 15.8168 15.8168 17.0243 17.0243 17.6983 17.6983 21.5995 21.5995 k = 0.3714 0.5114-0.0000 ( 2106 PWs) bands (ev): -41.6131 -41.6131 -18.4151 -18.4151 -17.7961 -17.7961 -17.7294 -17.7294 6.5565 6.5565 6.7776 6.7776 8.5832 8.5832 12.8725 12.8725 14.0803 14.0803 15.9298 15.9298 16.9771 16.9771 17.6409 17.6409 21.7031 21.7031 k = 0.3667 0.5196-0.0000 ( 2106 PWs) bands (ev): -41.6128 -41.6128 -18.4150 -18.4150 -17.7946 -17.7946 -17.7328 -17.7328 6.5979 6.5979 6.8306 6.8306 8.4558 8.4558 12.9333 12.9333 13.9884 13.9884 16.0408 16.0408 16.9311 16.9311 17.5830 17.5830 21.7995 21.7995 k = 0.3619 0.5279-0.0000 ( 2106 PWs) bands (ev): -41.6126 -41.6126 -18.4150 -18.4150 -17.7931 -17.7931 -17.7359 -17.7359 6.6409 6.6409 6.8806 6.8806 8.3342 8.3342 12.9960 12.9960 13.8988 13.8988 16.1495 16.1495 16.8864 16.8864 17.5252 17.5252 21.8881 21.8881 k = 0.3571 0.5361-0.0000 ( 2104 PWs) bands (ev): -41.6125 -41.6125 -18.4150 -18.4150 -17.7917 -17.7917 -17.7386 -17.7386 6.6855 6.6855 6.9254 6.9254 8.2205 8.2205 13.0605 13.0605 13.8114 13.8114 16.2548 16.2548 16.8431 16.8431 17.4682 17.4682 21.9681 21.9681 k = 0.3524 0.5444-0.0000 ( 2098 PWs) bands (ev): -41.6123 -41.6123 -18.4150 -18.4150 -17.7905 -17.7905 -17.7410 -17.7410 6.7317 6.7317 6.9619 6.9619 8.1179 8.1179 13.1269 13.1269 13.7264 13.7264 16.3555 16.3555 16.8014 16.8014 17.4135 17.4135 22.0389 22.0389 k = 0.3476 0.5526-0.0000 ( 2098 PWs) bands (ev): -41.6122 -41.6122 -18.4151 -18.4151 -17.7895 -17.7895 -17.7428 -17.7428 6.7794 6.7794 6.9858 6.9858 8.0308 8.0308 13.1951 13.1951 13.6437 13.6437 16.4494 16.4494 16.7614 16.7614 17.3629 17.3629 22.0999 22.0999 k = 0.3429 0.5609-0.0000 ( 2098 PWs) bands (ev): -41.6121 -41.6121 -18.4151 -18.4151 -17.7888 -17.7888 -17.7442 -17.7442 6.8286 6.8286 6.9921 6.9921 7.9643 7.9643 13.2651 13.2651 13.5635 13.5635 16.5330 16.5330 16.7234 16.7234 17.3198 17.3198 22.1504 22.1504 k = 0.3381 0.5691-0.0000 ( 2098 PWs) bands (ev): -41.6121 -41.6121 -18.4151 -18.4151 -17.7884 -17.7884 -17.7451 -17.7451 6.8789 6.8789 6.9762 6.9762 7.9232 7.9232 13.3367 13.3367 13.4857 13.4857 16.6005 16.6005 16.6881 16.6881 17.2890 17.2890 22.1898 22.1898 k = 0.3333 0.5774-0.0000 ( 2094 PWs) bands (ev): -41.6121 -41.6121 -18.4151 -18.4151 -17.7882 -17.7882 -17.7453 -17.7453 6.9207 6.9207 6.9457 6.9457 7.9097 7.9097 13.4060 13.4060 13.4143 13.4143 16.6350 16.6350 16.6658 16.6658 17.2773 17.2773 22.2120 22.2120 k = 0.3333 0.5774-0.0000 ( 2094 PWs) bands (ev): -41.6121 -41.6121 -18.4151 -18.4151 -17.7882 -17.7882 -17.7453 -17.7453 6.9207 6.9207 6.9457 6.9457 7.9097 7.9097 13.4060 13.4060 13.4143 13.4143 16.6350 16.6350 16.6658 16.6658 17.2773 17.2773 22.2120 22.2120 k = 0.3286 0.5691-0.0000 ( 2096 PWs) bands (ev): -41.6121 -41.6121 -18.4151 -18.4151 -17.7884 -17.7884 -17.7451 -17.7451 6.8676 6.8676 6.9887 6.9887 7.9220 7.9220 13.3371 13.3371 13.4852 13.4852 16.6132 16.6132 16.6741 16.6741 17.2903 17.2903 22.1952 22.1952 k = 0.3238 0.5609-0.0000 ( 2096 PWs) bands (ev): -41.6121 -41.6121 -18.4151 -18.4151 -17.7887 -17.7887 -17.7443 -17.7443 6.7856 6.7856 7.0439 7.0439 7.9554 7.9554 13.2668 13.2668 13.5617 13.5617 16.5833 16.5833 16.6643 16.6643 17.3283 17.3283 22.1728 22.1728 k = 0.3190 0.5526-0.0000 ( 2096 PWs) bands (ev): -41.6122 -41.6122 -18.4150 -18.4150 -17.7893 -17.7893 -17.7431 -17.7431 6.6898 6.6898 7.1012 7.1012 8.0050 8.0050 13.1989 13.1989 13.6396 13.6396 16.5542 16.5542 16.6327 16.6327 17.3860 17.3860 22.1503 22.1503 k = 0.3143 0.5444-0.0000 ( 2100 PWs) bands (ev): -41.6124 -41.6124 -18.4149 -18.4149 -17.7899 -17.7899 -17.7414 -17.7414 6.5849 6.5849 7.1603 7.1603 8.0664 8.0664 13.1335 13.1335 13.7190 13.7190 16.5265 16.5265 16.5859 16.5859 17.4562 17.4562 22.1282 22.1282 k = 0.3095 0.5361-0.0000 ( 2104 PWs) bands (ev): -41.6126 -41.6126 -18.4147 -18.4147 -17.7906 -17.7906 -17.7395 -17.7395 6.4739 6.4739 7.2211 7.2211 8.1366 8.1366 13.0707 13.0707 13.7998 13.7998 16.4984 16.4984 16.5310 16.5310 17.5333 17.5333 22.1065 22.1065 k = 0.3048 0.5279-0.0000 ( 2104 PWs) bands (ev): -41.6128 -41.6128 -18.4144 -18.4144 -17.7913 -17.7913 -17.7372 -17.7372 6.3590 6.3590 7.2835 7.2835 8.2135 8.2135 13.0104 13.0104 13.8818 13.8818 16.4546 16.4546 16.4870 16.4870 17.6135 17.6135 22.0854 22.0854 k = 0.3000 0.5196-0.0000 ( 2104 PWs) bands (ev): -41.6131 -41.6131 -18.4140 -18.4140 -17.7920 -17.7920 -17.7348 -17.7348 6.2416 6.2416 7.3476 7.3476 8.2955 8.2955 12.9527 12.9527 13.9651 13.9651 16.3887 16.3887 16.4626 16.4626 17.6943 17.6943 22.0648 22.0648 k = 0.2952 0.5114-0.0000 ( 2104 PWs) bands (ev): -41.6134 -41.6134 -18.4136 -18.4136 -17.7925 -17.7925 -17.7321 -17.7321 6.1228 6.1228 7.4133 7.4133 8.3817 8.3817 12.8976 12.8976 14.0494 14.0494 16.3168 16.3168 16.4431 16.4431 17.7741 17.7741 22.0440 22.0440 k = 0.2905 0.5031-0.0000 ( 2104 PWs) bands (ev): -41.6138 -41.6138 -18.4131 -18.4131 -17.7930 -17.7930 -17.7293 -17.7293 6.0034 6.0034 7.4807 7.4807 8.4713 8.4713 12.8450 12.8450 14.1348 14.1348 16.2420 16.2420 16.4263 16.4263 17.8516 17.8516 22.0046 22.0046 k = 0.2857 0.4949-0.0000 ( 2100 PWs) bands (ev): -41.6142 -41.6142 -18.4124 -18.4124 -17.7934 -17.7934 -17.7263 -17.7263 5.8837 5.8837 7.5498 7.5498 8.5637 8.5637 12.7950 12.7950 14.2212 14.2212 16.1653 16.1653 16.4119 16.4119 17.9260 17.9260 21.9388 21.9388 k = 0.2810 0.4866-0.0000 ( 2100 PWs) bands (ev): -41.6146 -41.6146 -18.4116 -18.4116 -17.7936 -17.7936 -17.7231 -17.7231 5.7641 5.7641 7.6205 7.6205 8.6587 8.6587 12.7475 12.7475 14.3084 14.3084 16.0872 16.0872 16.3999 16.3999 17.9966 17.9966 21.8653 21.8653 k = 0.2762 0.4784-0.0000 ( 2100 PWs) bands (ev): -41.6152 -41.6152 -18.4107 -18.4107 -17.7937 -17.7937 -17.7199 -17.7199 5.6450 5.6450 7.6929 7.6929 8.7558 8.7558 12.7026 12.7026 14.3963 14.3963 16.0082 16.0082 16.3902 16.3902 18.0628 18.0628 21.7859 21.7859 k = 0.2714 0.4701-0.0000 ( 2100 PWs) bands (ev): -41.6157 -41.6157 -18.4097 -18.4097 -17.7936 -17.7936 -17.7166 -17.7166 5.5266 5.5266 7.7669 7.7669 8.8548 8.8548 12.6602 12.6602 14.4849 14.4849 15.9284 15.9284 16.3829 16.3829 18.1240 18.1240 21.7015 21.7015 k = 0.2667 0.4619-0.0000 ( 2100 PWs) bands (ev): -41.6164 -41.6164 -18.4085 -18.4085 -17.7933 -17.7933 -17.7131 -17.7131 5.4090 5.4090 7.8425 7.8425 8.9555 8.9555 12.6204 12.6204 14.5740 14.5740 15.8482 15.8482 16.3778 16.3778 18.1799 18.1799 21.6125 21.6125 k = 0.2619 0.4536-0.0000 ( 2100 PWs) bands (ev): -41.6170 -41.6170 -18.4072 -18.4072 -17.7929 -17.7929 -17.7096 -17.7096 5.2925 5.2925 7.9198 7.9198 9.0577 9.0577 12.5831 12.5831 14.6635 14.6635 15.7677 15.7677 16.3751 16.3751 18.2301 18.2301 21.5197 21.5197 k = 0.2571 0.4454-0.0000 ( 2100 PWs) bands (ev): -41.6178 -41.6178 -18.4057 -18.4057 -17.7923 -17.7923 -17.7060 -17.7060 5.1770 5.1770 7.9987 7.9987 9.1613 9.1613 12.5484 12.5484 14.7532 14.7532 15.6871 15.6871 16.3748 16.3748 18.2744 18.2744 21.4236 21.4236 k = 0.2524 0.4371-0.0000 ( 2096 PWs) bands (ev): -41.6185 -41.6185 -18.4041 -18.4041 -17.7916 -17.7916 -17.7024 -17.7024 5.0626 5.0626 8.0793 8.0793 9.2660 9.2660 12.5161 12.5161 14.8431 14.8431 15.6065 15.6065 16.3768 16.3768 18.3124 18.3124 21.3246 21.3246 k = 0.2476 0.4289-0.0000 ( 2092 PWs) bands (ev): -41.6193 -41.6193 -18.4024 -18.4024 -17.7907 -17.7907 -17.6987 -17.6987 4.9496 4.9496 8.1615 8.1615 9.3718 9.3718 12.4863 12.4863 14.9329 14.9329 15.5261 15.5261 16.3812 16.3812 18.3440 18.3440 21.2231 21.2231 k = 0.2429 0.4206-0.0000 ( 2092 PWs) bands (ev): -41.6202 -41.6202 -18.4005 -18.4005 -17.7896 -17.7896 -17.6949 -17.6949 4.8379 4.8379 8.2452 8.2452 9.4785 9.4785 12.4590 12.4590 15.0226 15.0226 15.4460 15.4460 16.3879 16.3879 18.3691 18.3691 21.1196 21.1196 k = 0.2381 0.4124-0.0000 ( 2092 PWs) bands (ev): -41.6211 -41.6211 -18.3984 -18.3984 -17.7883 -17.7883 -17.6911 -17.6911 4.7276 4.7276 8.3306 8.3306 9.5859 9.5859 12.4341 12.4341 15.1118 15.1118 15.3663 15.3663 16.3970 16.3970 18.3878 18.3878 21.0144 21.0144 k = 0.2333 0.4041-0.0000 ( 2092 PWs) bands (ev): -41.6221 -41.6221 -18.3962 -18.3962 -17.7869 -17.7869 -17.6872 -17.6872 4.6188 4.6188 8.4175 8.4175 9.6941 9.6941 12.4116 12.4116 15.1996 15.1996 15.2881 15.2881 16.4085 16.4085 18.4001 18.4001 20.9079 20.9079 k = 0.2286 0.3959-0.0000 ( 2100 PWs) bands (ev): -41.6231 -41.6231 -18.3938 -18.3938 -17.7853 -17.7853 -17.6833 -17.6833 4.5115 4.5115 8.5059 8.5059 9.8027 9.8027 12.3916 12.3916 15.2054 15.2054 15.2918 15.2918 16.4223 16.4223 18.4063 18.4063 20.8003 20.8003 k = 0.2238 0.3876-0.0000 ( 2104 PWs) bands (ev): -41.6242 -41.6242 -18.3914 -18.3914 -17.7836 -17.7836 -17.6793 -17.6793 4.4057 4.4057 8.5959 8.5959 9.9117 9.9117 12.3739 12.3739 15.1284 15.1284 15.3781 15.3781 16.4384 16.4384 18.4064 18.4064 20.6919 20.6919 k = 0.2190 0.3794-0.0000 ( 2100 PWs) bands (ev): -41.6253 -41.6253 -18.3888 -18.3888 -17.7817 -17.7817 -17.6753 -17.6753 4.3015 4.3015 8.6874 8.6874 10.0210 10.0210 12.3585 12.3585 15.0511 15.0511 15.4646 15.4646 16.4570 16.4570 18.4009 18.4009 20.5829 20.5829 k = 0.2143 0.3712-0.0000 ( 2100 PWs) bands (ev): -41.6264 -41.6264 -18.3860 -18.3860 -17.7796 -17.7796 -17.6712 -17.6712 4.1990 4.1990 8.7804 8.7804 10.1303 10.1303 12.3454 12.3454 14.9745 14.9745 15.5501 15.5501 16.4778 16.4778 18.3901 18.3901 20.4736 20.4736 k = 0.2095 0.3629-0.0000 ( 2100 PWs) bands (ev): -41.6276 -41.6276 -18.3832 -18.3832 -17.7774 -17.7774 -17.6671 -17.6671 4.0981 4.0981 8.8748 8.8748 10.2397 10.2397 12.3346 12.3346 14.8986 14.8986 15.6343 15.6343 16.5010 16.5010 18.3746 18.3746 20.3642 20.3642 k = 0.2048 0.3547-0.0000 ( 2096 PWs) bands (ev): -41.6288 -41.6288 -18.3803 -18.3803 -17.7750 -17.7750 -17.6630 -17.6630 3.9990 3.9990 8.9706 8.9706 10.3488 10.3488 12.3260 12.3260 14.8237 14.8237 15.7172 15.7172 16.5265 16.5265 18.3547 18.3547 20.2548 20.2548 k = 0.2000 0.3464-0.0000 ( 2096 PWs) bands (ev): -41.6300 -41.6300 -18.3772 -18.3772 -17.7725 -17.7725 -17.6588 -17.6588 3.9015 3.9015 9.0678 9.0678 10.4575 10.4575 12.3195 12.3195 14.7497 14.7497 15.7984 15.7984 16.5543 16.5543 18.3310 18.3310 20.1456 20.1456 k = 0.1952 0.3382-0.0000 ( 2096 PWs) bands (ev): -41.6313 -41.6313 -18.3741 -18.3741 -17.7699 -17.7699 -17.6546 -17.6546 3.8059 3.8059 9.1664 9.1664 10.5658 10.5658 12.3152 12.3152 14.6769 14.6769 15.8779 15.8779 16.5844 16.5844 18.3042 18.3042 20.0367 20.0367 k = 0.1905 0.3299-0.0000 ( 2100 PWs) bands (ev): -41.6326 -41.6326 -18.3710 -18.3710 -17.7671 -17.7671 -17.6503 -17.6503 3.7120 3.7120 9.2662 9.2662 10.6733 10.6733 12.3130 12.3130 14.6051 14.6051 15.9554 15.9554 16.6167 16.6167 18.2748 18.2748 19.9284 19.9284 k = 0.1857 0.3217-0.0000 ( 2100 PWs) bands (ev): -41.6340 -41.6340 -18.3677 -18.3677 -17.7642 -17.7642 -17.6460 -17.6460 3.6200 3.6200 9.3672 9.3672 10.7799 10.7799 12.3129 12.3129 14.5345 14.5345 16.0309 16.0309 16.6513 16.6513 18.2434 18.2434 19.8206 19.8206 k = 0.1810 0.3134-0.0000 ( 2088 PWs) bands (ev): -41.6353 -41.6353 -18.3645 -18.3645 -17.7612 -17.7612 -17.6417 -17.6417 3.5298 3.5298 9.4694 9.4694 10.8854 10.8854 12.3147 12.3147 14.4652 14.4652 16.1042 16.1042 16.6881 16.6881 18.2106 18.2106 19.7136 19.7136 k = 0.1762 0.3052-0.0000 ( 2090 PWs) bands (ev): -41.6367 -41.6367 -18.3612 -18.3612 -17.7581 -17.7581 -17.6373 -17.6373 3.4416 3.4416 9.5728 9.5728 10.9897 10.9897 12.3184 12.3184 14.3972 14.3972 16.1751 16.1751 16.7272 16.7272 18.1770 18.1770 19.6074 19.6074 k = 0.1714 0.2969-0.0000 ( 2086 PWs) bands (ev): -41.6381 -41.6381 -18.3579 -18.3579 -17.7549 -17.7549 -17.6329 -17.6329 3.3552 3.3552 9.6772 9.6772 11.0924 11.0924 12.3240 12.3240 14.3306 14.3306 16.2435 16.2435 16.7684 16.7684 18.1434 18.1434 19.5022 19.5022 k = 0.1667 0.2887-0.0000 ( 2086 PWs) bands (ev): -41.6395 -41.6395 -18.3546 -18.3546 -17.7516 -17.7516 -17.6284 -17.6284 3.2708 3.2708 9.7825 9.7825 11.1934 11.1934 12.3314 12.3314 14.2653 14.2653 16.3094 16.3094 16.8117 16.8117 18.1102 18.1102 19.3980 19.3980 k = 0.1619 0.2804-0.0000 ( 2082 PWs) bands (ev): -41.6410 -41.6410 -18.3513 -18.3513 -17.7482 -17.7482 -17.6239 -17.6239 3.1884 3.1884 9.8887 9.8887 11.2925 11.2925 12.3406 12.3406 14.2016 14.2016 16.3726 16.3726 16.8572 16.8572 18.0780 18.0780 19.2950 19.2950 k = 0.1571 0.2722-0.0000 ( 2082 PWs) bands (ev): -41.6424 -41.6424 -18.3481 -18.3481 -17.7447 -17.7447 -17.6194 -17.6194 3.1080 3.1080 9.9958 9.9958 11.3893 11.3893 12.3514 12.3514 14.1393 14.1393 16.4331 16.4331 16.9048 16.9048 18.0474 18.0474 19.1932 19.1932 k = 0.1524 0.2639-0.0000 ( 2082 PWs) bands (ev): -41.6438 -41.6438 -18.3448 -18.3448 -17.7412 -17.7412 -17.6148 -17.6148 3.0296 3.0296 10.1035 10.1035 11.4838 11.4838 12.3638 12.3638 14.0787 14.0787 16.4908 16.4908 16.9544 16.9544 18.0190 18.0190 19.0927 19.0927 k = 0.1476 0.2557-0.0000 ( 2086 PWs) bands (ev): -41.6453 -41.6453 -18.3417 -18.3417 -17.7377 -17.7377 -17.6101 -17.6101 2.9532 2.9532 10.2118 10.2118 11.5755 11.5755 12.3778 12.3778 14.0196 14.0196 16.5458 16.5458 17.0061 17.0061 17.9932 17.9932 18.9937 18.9937 k = 0.1429 0.2474-0.0000 ( 2088 PWs) bands (ev): -41.6467 -41.6467 -18.3386 -18.3386 -17.7341 -17.7341 -17.6055 -17.6055 2.8790 2.8790 10.3206 10.3206 11.6644 11.6644 12.3931 12.3931 13.9622 13.9622 16.5979 16.5979 17.0597 17.0597 17.9706 17.9706 18.8961 18.8961 k = 0.1381 0.2392-0.0000 ( 2088 PWs) bands (ev): -41.6481 -41.6481 -18.3355 -18.3355 -17.7306 -17.7306 -17.6008 -17.6008 2.8068 2.8068 10.4297 10.4297 11.7501 11.7501 12.4099 12.4099 13.9066 13.9066 16.6471 16.6471 17.1153 17.1153 17.9516 17.9516 18.8002 18.8002 k = 0.1333 0.2309-0.0000 ( 2088 PWs) bands (ev): -41.6496 -41.6496 -18.3326 -18.3326 -17.7270 -17.7270 -17.5960 -17.5960 2.7368 2.7368 10.5390 10.5390 11.8325 11.8325 12.4279 12.4279 13.8527 13.8527 16.6936 16.6936 17.1728 17.1728 17.9366 17.9366 18.7059 18.7059 k = 0.1286 0.2227-0.0000 ( 2088 PWs) bands (ev): -41.6510 -41.6510 -18.3297 -18.3297 -17.7234 -17.7234 -17.5912 -17.5912 2.6689 2.6689 10.6484 10.6484 11.9113 11.9113 12.4470 12.4470 13.8006 13.8006 16.7373 16.7373 17.2322 17.2322 17.9260 17.9260 18.6133 18.6133 k = 0.1238 0.2144-0.0000 ( 2086 PWs) bands (ev): -41.6524 -41.6524 -18.3269 -18.3269 -17.7199 -17.7199 -17.5864 -17.5864 2.6033 2.6033 10.7576 10.7576 11.9863 11.9863 12.4673 12.4673 13.7504 13.7504 16.7783 16.7783 17.2934 17.2934 17.9202 17.9202 18.5226 18.5226 k = 0.1190 0.2062-0.0000 ( 2082 PWs) bands (ev): -41.6538 -41.6538 -18.3242 -18.3242 -17.7164 -17.7164 -17.5816 -17.5816 2.5398 2.5398 10.8666 10.8666 12.0573 12.0573 12.4885 12.4885 13.7020 13.7020 16.8166 16.8166 17.3563 17.3563 17.9193 17.9193 18.4339 18.4339 k = 0.1143 0.1979-0.0000 ( 2086 PWs) bands (ev): -41.6551 -41.6551 -18.3216 -18.3216 -17.7130 -17.7130 -17.5768 -17.5768 2.4786 2.4786 10.9750 10.9750 12.1242 12.1242 12.5105 12.5105 13.6556 13.6556 16.8523 16.8523 17.4209 17.4209 17.9237 17.9237 18.3471 18.3471 k = 0.1095 0.1897-0.0000 ( 2078 PWs) bands (ev): -41.6565 -41.6565 -18.3191 -18.3191 -17.7097 -17.7097 -17.5719 -17.5719 2.4197 2.4197 11.0828 11.0828 12.1869 12.1869 12.5333 12.5333 13.6112 13.6112 16.8855 16.8855 17.4872 17.4872 17.9335 17.9335 18.2626 18.2626 k = 0.1048 0.1815-0.0000 ( 2078 PWs) bands (ev): -41.6578 -41.6578 -18.3168 -18.3168 -17.7065 -17.7065 -17.5671 -17.5671 2.3630 2.3630 11.1897 11.1897 12.2452 12.2452 12.5568 12.5568 13.5689 13.5689 16.9163 16.9163 17.5551 17.5551 17.9487 17.9487 18.1803 18.1803 k = 0.1000 0.1732-0.0000 ( 2078 PWs) bands (ev): -41.6590 -41.6590 -18.3145 -18.3145 -17.7033 -17.7033 -17.5623 -17.5623 2.3087 2.3087 11.2954 11.2954 12.2991 12.2991 12.5807 12.5807 13.5286 13.5286 16.9448 16.9448 17.6244 17.6244 17.9694 17.9694 18.1005 18.1005 k = 0.0952 0.1650-0.0000 ( 2078 PWs) bands (ev): -41.6603 -41.6603 -18.3124 -18.3124 -17.7003 -17.7003 -17.5576 -17.5576 2.2567 2.2567 11.3997 11.3997 12.3486 12.3486 12.6050 12.6050 13.4904 13.4904 16.9710 16.9710 17.6952 17.6952 17.9937 17.9937 18.0251 18.0251 k = 0.0905 0.1567-0.0000 ( 2080 PWs) bands (ev): -41.6615 -41.6615 -18.3104 -18.3104 -17.6974 -17.6974 -17.5529 -17.5529 2.2070 2.2070 11.5022 11.5022 12.3937 12.3937 12.6295 12.6295 13.4544 13.4544 16.9952 16.9952 17.7671 17.7671 17.9464 17.9464 18.0295 18.0295 k = 0.0857 0.1485-0.0000 ( 2082 PWs) bands (ev): -41.6626 -41.6626 -18.3085 -18.3085 -17.6946 -17.6946 -17.5483 -17.5483 2.1598 2.1598 11.6028 11.6028 12.4345 12.4345 12.6541 12.6541 13.4205 13.4205 17.0174 17.0174 17.8396 17.8396 17.8754 17.8754 18.0662 18.0662 k = 0.0810 0.1402-0.0000 ( 2082 PWs) bands (ev): -41.6638 -41.6638 -18.3067 -18.3067 -17.6919 -17.6919 -17.5437 -17.5437 2.1150 2.1150 11.7011 11.7011 12.4710 12.4710 12.6787 12.6787 13.3888 13.3888 17.0376 17.0376 17.8046 17.8046 17.9153 17.9153 18.1084 18.1084 k = 0.0762 0.1320-0.0000 ( 2078 PWs) bands (ev): -41.6648 -41.6648 -18.3050 -18.3050 -17.6894 -17.6894 -17.5393 -17.5393 2.0725 2.0725 11.7967 11.7967 12.5034 12.5034 12.7031 12.7031 13.3594 13.3594 17.0561 17.0561 17.7382 17.7382 17.9904 17.9904 18.1554 18.1554 k = 0.0714 0.1237-0.0000 ( 2079 PWs) bands (ev): -41.6658 -41.6658 -18.3035 -18.3035 -17.6870 -17.6870 -17.5350 -17.5350 2.0326 2.0326 11.8894 11.8894 12.5319 12.5319 12.7271 12.7271 13.3322 13.3322 17.0729 17.0729 17.6746 17.6746 18.0664 18.0664 18.2069 18.2069 k = 0.0667 0.1155-0.0000 ( 2079 PWs) bands (ev): -41.6668 -41.6668 -18.3021 -18.3021 -17.6848 -17.6848 -17.5309 -17.5309 1.9951 1.9951 11.9787 11.9787 12.5566 12.5566 12.7505 12.7505 13.3071 13.3071 17.0881 17.0881 17.6143 17.6143 18.1429 18.1429 18.2622 18.2622 k = 0.0619 0.1072-0.0000 ( 2079 PWs) bands (ev): -41.6677 -41.6677 -18.3007 -18.3007 -17.6827 -17.6827 -17.5270 -17.5270 1.9601 1.9601 12.0642 12.0642 12.5779 12.5779 12.7733 12.7733 13.2843 13.2843 17.1018 17.1018 17.5572 17.5572 18.2196 18.2196 18.3210 18.3210 k = 0.0571 0.0990-0.0000 ( 2083 PWs) bands (ev): -41.6686 -41.6686 -18.2995 -18.2995 -17.6808 -17.6808 -17.5232 -17.5232 1.9277 1.9277 12.1456 12.1456 12.5959 12.5959 12.7953 12.7953 13.2636 13.2636 17.1141 17.1141 17.5037 17.5037 18.2963 18.2963 18.3824 18.3824 k = 0.0524 0.0907-0.0000 ( 2083 PWs) bands (ev): -41.6694 -41.6694 -18.2984 -18.2984 -17.6790 -17.6790 -17.5197 -17.5197 1.8977 1.8977 12.2225 12.2225 12.6110 12.6110 12.8163 12.8163 13.2450 13.2450 17.1250 17.1250 17.4537 17.4537 18.3725 18.3725 18.4459 18.4459 k = 0.0476 0.0825-0.0000 ( 2083 PWs) bands (ev): -41.6701 -41.6701 -18.2974 -18.2974 -17.6774 -17.6774 -17.5163 -17.5163 1.8703 1.8703 12.2945 12.2945 12.6235 12.6235 12.8361 12.8361 13.2284 13.2284 17.1348 17.1348 17.4075 17.4075 18.4477 18.4477 18.5106 18.5106 k = 0.0429 0.0742-0.0000 ( 2089 PWs) bands (ev): -41.6708 -41.6708 -18.2965 -18.2965 -17.6759 -17.6759 -17.5133 -17.5133 1.8455 1.8455 12.3611 12.3611 12.6336 12.6336 12.8546 12.8546 13.2138 13.2138 17.1433 17.1433 17.3653 17.3653 18.5213 18.5213 18.5755 18.5755 k = 0.0381 0.0660-0.0000 ( 2097 PWs) bands (ev): -41.6714 -41.6714 -18.2957 -18.2957 -17.6746 -17.6746 -17.5105 -17.5105 1.8233 1.8233 12.4220 12.4220 12.6417 12.6417 12.8716 12.8716 13.2011 13.2011 17.1507 17.1507 17.3270 17.3270 18.5925 18.5925 18.6397 18.6397 k = 0.0333 0.0577-0.0000 ( 2097 PWs) bands (ev): -41.6719 -41.6719 -18.2950 -18.2950 -17.6735 -17.6735 -17.5080 -17.5080 1.8036 1.8036 12.4767 12.4767 12.6481 12.6481 12.8870 12.8870 13.1901 13.1901 17.1570 17.1570 17.2931 17.2931 18.6604 18.6604 18.7018 18.7018 k = 0.0286 0.0495-0.0000 ( 2099 PWs) bands (ev): -41.6724 -41.6724 -18.2944 -18.2944 -17.6725 -17.6725 -17.5058 -17.5058 1.7865 1.7865 12.5250 12.5250 12.6530 12.6530 12.9006 12.9006 13.1808 13.1808 17.1623 17.1623 17.2634 17.2634 18.7238 18.7238 18.7606 18.7606 k = 0.0238 0.0412-0.0000 ( 2099 PWs) bands (ev): -41.6728 -41.6728 -18.2939 -18.2939 -17.6716 -17.6716 -17.5039 -17.5039 1.7721 1.7721 12.5665 12.5665 12.6567 12.6567 12.9124 12.9124 13.1731 13.1731 17.1664 17.1664 17.2384 17.2384 18.7813 18.7813 18.8147 18.8147 k = 0.0190 0.0330-0.0000 ( 2099 PWs) bands (ev): -41.6731 -41.6731 -18.2935 -18.2935 -17.6709 -17.6709 -17.5024 -17.5024 1.7602 1.7602 12.6008 12.6008 12.6595 12.6595 12.9222 12.9222 13.1669 13.1669 17.1693 17.1693 17.2182 17.2182 18.8314 18.8314 18.8624 18.8624 k = 0.0143 0.0247-0.0000 ( 2107 PWs) bands (ev): -41.6733 -41.6733 -18.2932 -18.2932 -17.6704 -17.6704 -17.5012 -17.5012 1.7510 1.7510 12.6276 12.6276 12.6616 12.6616 12.9299 12.9299 13.1621 13.1621 17.1707 17.1707 17.2032 17.2032 18.8724 18.8724 18.9020 18.9020 k = 0.0095 0.0165-0.0000 ( 2111 PWs) bands (ev): -41.6735 -41.6735 -18.2930 -18.2930 -17.6700 -17.6700 -17.5003 -17.5003 1.7444 1.7444 12.6465 12.6465 12.6634 12.6634 12.9355 12.9355 13.1588 13.1588 17.1702 17.1702 17.1940 17.1940 18.9030 18.9030 18.9319 18.9319 k = 0.0048 0.0082-0.0000 ( 2123 PWs) bands (ev): -41.6736 -41.6736 -18.2928 -18.2928 -17.6698 -17.6698 -17.4998 -17.4998 1.7405 1.7405 12.6566 12.6566 12.6657 12.6657 12.9389 12.9389 13.1568 13.1568 17.1685 17.1685 17.1898 17.1898 18.9219 18.9219 18.9506 18.9506 k = 0.0000 0.0000 0.0000 ( 2123 PWs) bands (ev): -41.6737 -41.6737 -18.2928 -18.2928 -17.6697 -17.6697 -17.4996 -17.4996 1.7391 1.7391 12.6591 12.6591 12.6674 12.6674 12.9400 12.9400 13.1561 13.1561 17.1676 17.1676 17.1887 17.1887 18.9283 18.9283 18.9569 18.9570 k = 0.0000 0.0000 0.0000 ( 2123 PWs) bands (ev): -41.6737 -41.6737 -18.2928 -18.2928 -17.6697 -17.6697 -17.4996 -17.4996 1.7391 1.7391 12.6591 12.6591 12.6674 12.6674 12.9400 12.9400 13.1561 13.1561 17.1676 17.1676 17.1887 17.1887 18.9283 18.9283 18.9569 18.9569 k = 0.0000 0.0000 0.0096 ( 2123 PWs) bands (ev): -41.6737 -41.6737 -18.2929 -18.2929 -17.6698 -17.6698 -17.4996 -17.4996 1.7405 1.7405 12.6602 12.6602 12.6685 12.6685 12.8813 12.8813 13.2133 13.2133 17.1637 17.1637 17.1848 17.1848 18.9258 18.9258 18.9545 18.9545 k = 0.0000 0.0000 0.0191 ( 2123 PWs) bands (ev): -41.6736 -41.6736 -18.2932 -18.2932 -17.6700 -17.6700 -17.4995 -17.4995 1.7447 1.7447 12.6635 12.6635 12.6718 12.6718 12.7709 12.7709 13.3193 13.3193 17.1521 17.1521 17.1731 17.1731 18.9184 18.9184 18.9471 18.9471 k = 0.0000 0.0000 0.0287 ( 2123 PWs) bands (ev): -41.6735 -41.6735 -18.2938 -18.2938 -17.6705 -17.6705 -17.4994 -17.4994 1.7517 1.7517 12.6483 12.6483 12.6690 12.6690 12.6773 12.6773 13.4343 13.4343 17.1330 17.1330 17.1540 17.1540 18.9062 18.9062 18.9348 18.9348 k = 0.0000 0.0000 0.0383 ( 2123 PWs) bands (ev): -41.6734 -41.6734 -18.2945 -18.2945 -17.6710 -17.6710 -17.4993 -17.4993 1.7615 1.7615 12.5210 12.5210 12.6767 12.6767 12.6850 12.6850 13.5512 13.5512 17.1068 17.1068 17.1276 17.1276 18.8891 18.8891 18.9177 18.9177 k = 0.0000 0.0000 0.0479 ( 2111 PWs) bands (ev): -41.6733 -41.6733 -18.2955 -18.2955 -17.6718 -17.6718 -17.4992 -17.4992 1.7740 1.7740 12.3911 12.3911 12.6867 12.6867 12.6950 12.6950 13.6678 13.6678 17.0740 17.0740 17.0947 17.0947 18.8672 18.8672 18.8957 18.8957 k = 0.0000 0.0000 0.0574 ( 2099 PWs) bands (ev): -41.6731 -41.6731 -18.2966 -18.2966 -17.6727 -17.6727 -17.4990 -17.4990 1.7893 1.7893 12.2593 12.2593 12.6988 12.6988 12.7071 12.7071 13.7836 13.7836 17.0350 17.0350 17.0556 17.0556 18.8406 18.8406 18.8690 18.8690 k = 0.0000 0.0000 0.0670 ( 2099 PWs) bands (ev): -41.6729 -41.6729 -18.2980 -18.2980 -17.6738 -17.6738 -17.4988 -17.4988 1.8073 1.8073 12.1259 12.1259 12.7131 12.7131 12.7214 12.7214 13.8981 13.8981 16.9906 16.9906 17.0110 17.0110 18.8094 18.8094 18.8377 18.8377 k = 0.0000 0.0000 0.0766 ( 2099 PWs) bands (ev): -41.6727 -41.6727 -18.2996 -18.2996 -17.6750 -17.6750 -17.4985 -17.4985 1.8279 1.8279 11.9914 11.9914 12.7296 12.7296 12.7379 12.7379 14.0113 14.0113 16.9414 16.9414 16.9616 16.9616 18.7737 18.7737 18.8019 18.8019 k = 0.0000 0.0000 0.0862 ( 2099 PWs) bands (ev): -41.6725 -41.6725 -18.3014 -18.3014 -17.6763 -17.6763 -17.4982 -17.4982 1.8513 1.8513 11.8558 11.8558 12.7483 12.7483 12.7566 12.7566 14.1230 14.1230 16.8879 16.8879 16.9080 16.9080 18.7336 18.7336 18.7616 18.7616 k = 0.0000 0.0000 0.0957 ( 2081 PWs) bands (ev): -41.6722 -41.6722 -18.3034 -18.3034 -17.6778 -17.6778 -17.4979 -17.4979 1.8773 1.8773 11.7193 11.7193 12.7691 12.7691 12.7774 12.7774 14.2332 14.2332 16.8309 16.8309 16.8508 16.8508 18.6892 18.6892 18.7170 18.7170 k = 0.0000 0.0000 0.1053 ( 2081 PWs) bands (ev): -41.6719 -41.6719 -18.3055 -18.3055 -17.6793 -17.6793 -17.4976 -17.4976 1.9058 1.9058 11.5821 11.5821 12.7921 12.7921 12.8004 12.8004 14.3419 14.3419 16.7709 16.7709 16.7906 16.7906 18.6406 18.6406 18.6683 18.6683 k = 0.0000 0.0000 0.1149 ( 2081 PWs) bands (ev): -41.6716 -41.6716 -18.3079 -18.3079 -17.6810 -17.6810 -17.4972 -17.4972 1.9369 1.9369 11.4443 11.4443 12.8173 12.8173 12.8256 12.8256 14.4491 14.4491 16.7085 16.7085 16.7279 16.7279 18.5880 18.5880 18.6156 18.6156 k = 0.0000 0.0000 0.1245 ( 2081 PWs) bands (ev): -41.6713 -41.6713 -18.3104 -18.3104 -17.6828 -17.6828 -17.4969 -17.4969 1.9705 1.9705 11.3061 11.3061 12.8446 12.8446 12.8529 12.8529 14.5547 14.5547 16.6442 16.6442 16.6634 16.6634 18.5316 18.5316 18.5590 18.5590 k = 0.0000 0.0000 0.1340 ( 2087 PWs) bands (ev): -41.6709 -41.6709 -18.3131 -18.3131 -17.6847 -17.6847 -17.4965 -17.4965 2.0065 2.0065 11.1675 11.1675 12.8741 12.8741 12.8823 12.8823 14.6589 14.6589 16.5785 16.5785 16.5975 16.5975 18.4715 18.4715 18.4987 18.4987 k = 0.0000 0.0000 0.1436 ( 2087 PWs) bands (ev): -41.6705 -41.6705 -18.3160 -18.3160 -17.6866 -17.6866 -17.4960 -17.4960 2.0449 2.0449 11.0288 11.0288 12.9056 12.9056 12.9139 12.9139 14.7615 14.7615 16.5119 16.5119 16.5305 16.5305 18.4079 18.4079 18.4349 18.4349 k = 0.0000 0.0000 0.1532 ( 2081 PWs) bands (ev): -41.6701 -41.6701 -18.3190 -18.3190 -17.6886 -17.6886 -17.4956 -17.4956 2.0855 2.0855 10.8901 10.8901 12.9393 12.9393 12.9475 12.9475 14.8627 14.8627 16.4446 16.4446 16.4630 16.4630 18.3410 18.3410 18.3678 18.3678 k = 0.0000 0.0000 0.1628 ( 2093 PWs) bands (ev): -41.6697 -41.6697 -18.3222 -18.3222 -17.6906 -17.6906 -17.4951 -17.4951 2.1284 2.1284 10.7514 10.7514 12.9750 12.9750 12.9832 12.9832 14.9624 14.9624 16.3771 16.3771 16.3952 16.3952 18.2709 18.2709 18.2975 18.2975 k = 0.0000 0.0000 0.1723 ( 2093 PWs) bands (ev): -41.6693 -41.6693 -18.3255 -18.3255 -17.6927 -17.6927 -17.4946 -17.4946 2.1735 2.1735 10.6131 10.6131 13.0128 13.0128 13.0210 13.0210 15.0606 15.0606 16.3097 16.3097 16.3276 16.3276 18.1978 18.1978 18.2242 18.2242 k = 0.0000 0.0000 0.1819 ( 2093 PWs) bands (ev): -41.6689 -41.6689 -18.3289 -18.3289 -17.6948 -17.6948 -17.4942 -17.4942 2.2206 2.2206 10.4751 10.4751 13.0527 13.0527 13.0608 13.0608 15.1572 15.1572 16.2426 16.2426 16.2602 16.2602 18.1220 18.1220 18.1481 18.1481 k = 0.0000 0.0000 0.1915 ( 2093 PWs) bands (ev): -41.6684 -41.6684 -18.3324 -18.3324 -17.6969 -17.6969 -17.4936 -17.4936 2.2697 2.2697 10.3378 10.3378 13.0945 13.0945 13.1027 13.1027 15.2524 15.2524 16.1762 16.1762 16.1935 16.1935 18.0435 18.0435 18.0695 18.0695 k = 0.0000 0.0000 0.2011 ( 2081 PWs) bands (ev): -41.6680 -41.6680 -18.3360 -18.3360 -17.6990 -17.6990 -17.4931 -17.4931 2.3207 2.3207 10.2011 10.2011 13.1384 13.1384 13.1465 13.1465 15.3460 15.3460 16.1107 16.1107 16.1277 16.1277 17.9626 17.9626 17.9884 17.9884 k = 0.0000 0.0000 0.2106 ( 2081 PWs) bands (ev): -41.6675 -41.6675 -18.3397 -18.3397 -17.7011 -17.7011 -17.4926 -17.4926 2.3734 2.3734 10.0653 10.0653 13.1843 13.1843 13.1923 13.1923 15.4380 15.4380 16.0462 16.0462 16.0629 16.0629 17.8794 17.8794 17.9051 17.9051 k = 0.0000 0.0000 0.2202 ( 2081 PWs) bands (ev): -41.6670 -41.6670 -18.3435 -18.3435 -17.7032 -17.7032 -17.4921 -17.4921 2.4278 2.4278 9.9306 9.9306 13.2321 13.2321 13.2401 13.2401 15.5283 15.5283 15.9831 15.9831 15.9993 15.9993 17.7943 17.7943 17.8197 17.8197 k = 0.0000 0.0000 0.2298 ( 2081 PWs) bands (ev): -41.6666 -41.6666 -18.3474 -18.3474 -17.7053 -17.7053 -17.4915 -17.4915 2.4837 2.4837 9.7971 9.7971 13.2818 13.2818 13.2898 13.2898 15.6167 15.6167 15.9216 15.9216 15.9371 15.9371 17.7072 17.7072 17.7325 17.7325 k = 0.0000 0.0000 0.2394 ( 2093 PWs) bands (ev): -41.6661 -41.6661 -18.3512 -18.3512 -17.7074 -17.7074 -17.4910 -17.4910 2.5410 2.5410 9.6650 9.6650 13.3334 13.3334 13.3413 13.3413 15.7027 15.7027 15.8623 15.8623 15.8766 15.8766 17.6185 17.6185 17.6436 17.6436 k = 0.0000 0.0000 0.2489 ( 2093 PWs) bands (ev): -41.6656 -41.6656 -18.3551 -18.3551 -17.7094 -17.7094 -17.4905 -17.4905 2.5995 2.5995 9.5345 9.5345 13.3868 13.3868 13.3947 13.3947 15.7758 15.7758 15.8158 15.8158 15.8177 15.8177 17.5283 17.5283 17.5532 17.5532 k = 0.0000 0.0000 0.2585 ( 2093 PWs) bands (ev): -41.6652 -41.6652 -18.3590 -18.3590 -17.7113 -17.7113 -17.4900 -17.4900 2.6591 2.6591 9.4058 9.4058 13.4421 13.4421 13.4499 13.4499 15.7416 15.7416 15.7606 15.7606 15.8765 15.8765 17.4368 17.4368 17.4616 17.4616 k = 0.0000 0.0000 0.2681 ( 2093 PWs) bands (ev): -41.6647 -41.6647 -18.3629 -18.3629 -17.7132 -17.7132 -17.4894 -17.4894 2.7196 2.7196 9.2790 9.2790 13.4990 13.4990 13.5068 13.5068 15.6881 15.6881 15.7054 15.7054 15.9565 15.9565 17.3441 17.3441 17.3688 17.3688 k = 0.0000 0.0000 0.2777 ( 2093 PWs) bands (ev): -41.6643 -41.6643 -18.3668 -18.3668 -17.7150 -17.7150 -17.4889 -17.4889 2.7807 2.7807 9.1545 9.1545 13.5577 13.5577 13.5653 13.5653 15.6356 15.6356 15.6523 15.6523 16.0353 16.0353 17.2506 17.2506 17.2752 17.2752 k = 0.0000 0.0000 0.2872 ( 2093 PWs) bands (ev): -41.6638 -41.6638 -18.3706 -18.3706 -17.7168 -17.7168 -17.4884 -17.4884 2.8424 2.8424 9.0325 9.0325 13.6180 13.6180 13.6255 13.6255 15.5851 15.5851 15.6013 15.6013 16.1120 16.1120 17.1563 17.1563 17.1808 17.1808 k = 0.0000 0.0000 0.2968 ( 2094 PWs) bands (ev): -41.6634 -41.6634 -18.3743 -18.3743 -17.7185 -17.7185 -17.4879 -17.4879 2.9044 2.9044 8.9131 8.9131 13.6799 13.6799 13.6873 13.6873 15.5366 15.5366 15.5525 15.5525 16.1864 16.1864 17.0614 17.0614 17.0859 17.0859 k = 0.0000 0.0000 0.3064 ( 2094 PWs) bands (ev): -41.6630 -41.6630 -18.3780 -18.3780 -17.7201 -17.7201 -17.4874 -17.4874 2.9663 2.9663 8.7968 8.7968 13.7433 13.7433 13.7505 13.7505 15.4903 15.4903 15.5060 15.5060 16.2584 16.2584 16.9662 16.9662 16.9907 16.9907 k = 0.0000 0.0000 0.3160 ( 2076 PWs) bands (ev): -41.6625 -41.6625 -18.3815 -18.3815 -17.7217 -17.7217 -17.4870 -17.4870 3.0280 3.0280 8.6837 8.6837 13.8081 13.8081 13.8151 13.8151 15.4464 15.4464 15.4619 15.4619 16.3276 16.3276 16.8709 16.8709 16.8953 16.8953 k = 0.0000 0.0000 0.3255 ( 2076 PWs) bands (ev): -41.6621 -41.6621 -18.3850 -18.3850 -17.7231 -17.7231 -17.4865 -17.4865 3.0892 3.0892 8.5742 8.5742 13.8741 13.8741 13.8809 13.8809 15.4049 15.4049 15.4201 15.4201 16.3939 16.3939 16.7756 16.7756 16.8001 16.8001 k = 0.0000 0.0000 0.3351 ( 2082 PWs) bands (ev): -41.6618 -41.6618 -18.3883 -18.3883 -17.7245 -17.7245 -17.4861 -17.4861 3.1494 3.1494 8.4687 8.4687 13.9413 13.9413 13.9479 13.9479 15.3657 15.3657 15.3808 15.3808 16.4572 16.4572 16.6806 16.6806 16.7052 16.7052 k = 0.0000 0.0000 0.3447 ( 2082 PWs) bands (ev): -41.6614 -41.6614 -18.3914 -18.3914 -17.7258 -17.7258 -17.4857 -17.4857 3.2085 3.2085 8.3675 8.3675 14.0094 14.0094 14.0157 14.0157 15.3291 15.3291 15.3440 15.3440 16.5172 16.5172 16.5861 16.5861 16.6109 16.6109 k = 0.0000 0.0000 0.3543 ( 2082 PWs) bands (ev): -41.6611 -41.6611 -18.3944 -18.3944 -17.7269 -17.7269 -17.4853 -17.4853 3.2659 3.2659 8.2710 8.2710 14.0784 14.0784 14.0844 14.0844 15.2950 15.2950 15.3098 15.3098 16.4925 16.4925 16.5175 16.5175 16.5738 16.5738 k = 0.0000 0.0000 0.3638 ( 2082 PWs) bands (ev): -41.6608 -41.6608 -18.3972 -18.3972 -17.7280 -17.7280 -17.4850 -17.4850 3.3212 3.3212 8.1796 8.1796 14.1479 14.1479 14.1535 14.1535 15.2636 15.2636 15.2782 15.2782 16.4000 16.4000 16.4253 16.4253 16.6268 16.6268 k = 0.0000 0.0000 0.3734 ( 2094 PWs) bands (ev): -41.6605 -41.6605 -18.3999 -18.3999 -17.7291 -17.7291 -17.4846 -17.4846 3.3741 3.3741 8.0938 8.0938 14.2176 14.2176 14.2227 14.2227 15.2347 15.2347 15.2492 15.2492 16.3091 16.3091 16.3347 16.3347 16.6759 16.6759 k = 0.0000 0.0000 0.3830 ( 2088 PWs) bands (ev): -41.6602 -41.6602 -18.4023 -18.4023 -17.7300 -17.7300 -17.4843 -17.4843 3.4240 3.4240 8.0140 8.0140 14.2872 14.2872 14.2917 14.2917 15.2085 15.2085 15.2228 15.2228 16.2202 16.2202 16.2462 16.2462 16.7210 16.7210 k = 0.0000 0.0000 0.3926 ( 2088 PWs) bands (ev): -41.6599 -41.6599 -18.4045 -18.4045 -17.7308 -17.7308 -17.4840 -17.4840 3.4706 3.4706 7.9408 7.9408 14.3560 14.3560 14.3598 14.3598 15.1850 15.1850 15.1992 15.1992 16.1338 16.1338 16.1604 16.1604 16.7619 16.7619 k = 0.0000 0.0000 0.4021 ( 2088 PWs) bands (ev): -41.6597 -41.6597 -18.4064 -18.4064 -17.7315 -17.7315 -17.4838 -17.4838 3.5132 3.5132 7.8746 7.8746 14.4234 14.4234 14.4265 14.4265 15.1641 15.1641 15.1783 15.1783 16.0509 16.0509 16.0781 16.0781 16.7985 16.7985 k = 0.0000 0.0000 0.4117 ( 2094 PWs) bands (ev): -41.6595 -41.6595 -18.4082 -18.4082 -17.7321 -17.7321 -17.4836 -17.4836 3.5514 3.5514 7.8160 7.8160 14.4884 14.4884 14.4906 14.4906 15.1461 15.1461 15.1601 15.1601 15.9723 15.9723 16.0004 16.0004 16.8305 16.8305 k = 0.0000 0.0000 0.4213 ( 2094 PWs) bands (ev): -41.6594 -41.6594 -18.4096 -18.4096 -17.7327 -17.7327 -17.4834 -17.4834 3.5847 3.5847 7.7654 7.7654 14.5497 14.5497 14.5509 14.5509 15.1307 15.1307 15.1446 15.1446 15.8994 15.8994 15.9285 15.9285 16.8579 16.8579 k = 0.0000 0.0000 0.4309 ( 2094 PWs) bands (ev): -41.6592 -41.6592 -18.4108 -18.4108 -17.7331 -17.7331 -17.4832 -17.4832 3.6127 3.6127 7.7232 7.7232 14.6056 14.6056 14.6056 14.6056 15.1182 15.1182 15.1320 15.1320 15.8341 15.8341 15.8641 15.8641 16.8805 16.8805 k = 0.0000 0.0000 0.4404 ( 2082 PWs) bands (ev): -41.6591 -41.6591 -18.4118 -18.4118 -17.7334 -17.7334 -17.4831 -17.4831 3.6349 3.6349 7.6900 7.6900 14.6526 14.6526 14.6538 14.6538 15.1084 15.1084 15.1221 15.1221 15.7785 15.7785 15.8097 15.8097 16.8982 16.8982 k = 0.0000 0.0000 0.4500 ( 2082 PWs) bands (ev): -41.6591 -41.6591 -18.4125 -18.4125 -17.7337 -17.7337 -17.4830 -17.4830 3.6510 3.6510 7.6660 7.6660 14.6892 14.6892 14.6914 14.6914 15.1014 15.1014 15.1151 15.1151 15.7356 15.7356 15.7678 15.7678 16.9108 16.9108 k = 0.0000 0.0000 0.4596 ( 2082 PWs) bands (ev): -41.6590 -41.6590 -18.4129 -18.4129 -17.7338 -17.7338 -17.4830 -17.4830 3.6608 3.6608 7.6515 7.6515 14.7126 14.7126 14.7157 14.7157 15.0972 15.0972 15.1108 15.1108 15.7082 15.7082 15.7411 15.7411 16.9185 16.9185 k = 0.0000 0.0000 0.4691 ( 2082 PWs) bands (ev): -41.6590 -41.6590 -18.4130 -18.4130 -17.7339 -17.7339 -17.4830 -17.4830 3.6641 3.6641 7.6466 7.6466 14.7207 14.7207 14.7241 14.7241 15.0958 15.0958 15.1094 15.1094 15.6987 15.6987 15.7320 15.7320 16.9210 16.9210 k = 0.0000 0.0000 0.4691 ( 2082 PWs) bands (ev): -41.6590 -41.6590 -18.4130 -18.4130 -17.7339 -17.7339 -17.4830 -17.4830 3.6641 3.6641 7.6466 7.6466 14.7207 14.7207 14.7241 14.7241 15.0958 15.0958 15.1094 15.1094 15.6987 15.6987 15.7320 15.7320 16.9210 16.9210 k = 0.0083 0.0048 0.4691 ( 2082 PWs) bands (ev): -41.6590 -41.6590 -18.4130 -18.4130 -17.7340 -17.7340 -17.4831 -17.4831 3.6648 3.6648 7.6484 7.6484 14.6809 14.6809 14.6840 14.6840 15.1357 15.1357 15.1480 15.1480 15.6976 15.6976 15.7311 15.7311 16.9216 16.9216 k = 0.0167 0.0096 0.4691 ( 2082 PWs) bands (ev): -41.6589 -41.6589 -18.4130 -18.4130 -17.7343 -17.7343 -17.4837 -17.4837 3.6667 3.6667 7.6536 7.6536 14.5865 14.5865 14.5951 14.5951 15.2260 15.2260 15.2369 15.2369 15.6923 15.6923 15.7302 15.7302 16.9231 16.9231 k = 0.0250 0.0144 0.4691 ( 2082 PWs) bands (ev): -41.6587 -41.6587 -18.4130 -18.4130 -17.7348 -17.7348 -17.4845 -17.4845 3.6699 3.6699 7.6624 7.6624 14.4697 14.4697 14.4877 14.4877 15.3335 15.3335 15.3467 15.3467 15.6796 15.6796 15.7328 15.7328 16.9257 16.9257 k = 0.0333 0.0192 0.4691 ( 2078 PWs) bands (ev): -41.6584 -41.6584 -18.4130 -18.4130 -17.7355 -17.7355 -17.4857 -17.4857 3.6745 3.6745 7.6746 7.6746 14.3431 14.3431 14.3734 14.3734 15.4458 15.4458 15.4659 15.4659 15.6590 15.6590 15.7396 15.7396 16.9294 16.9294 k = 0.0417 0.0241 0.4691 ( 2076 PWs) bands (ev): -41.6581 -41.6581 -18.4130 -18.4130 -17.7364 -17.7364 -17.4872 -17.4872 3.6803 3.6803 7.6903 7.6903 14.2108 14.2108 14.2565 14.2565 15.5585 15.5585 15.5888 15.5888 15.6324 15.6324 15.7502 15.7502 16.9340 16.9340 k = 0.0500 0.0289 0.4691 ( 2076 PWs) bands (ev): -41.6577 -41.6577 -18.4130 -18.4130 -17.7375 -17.7375 -17.4890 -17.4890 3.6875 3.6875 7.7095 7.7095 14.0749 14.0749 14.1387 14.1387 15.5947 15.5947 15.6719 15.6719 15.7168 15.7168 15.7644 15.7644 16.9398 16.9398 k = 0.0583 0.0337 0.4691 ( 2084 PWs) bands (ev): -41.6572 -41.6572 -18.4130 -18.4130 -17.7388 -17.7388 -17.4912 -17.4912 3.6959 3.6959 7.7320 7.7320 13.9361 13.9361 14.0212 14.0212 15.5549 15.5549 15.7751 15.7751 15.7868 15.7868 15.8461 15.8461 16.9465 16.9465 k = 0.0667 0.0385 0.4691 ( 2088 PWs) bands (ev): -41.6567 -41.6567 -18.4130 -18.4130 -17.7403 -17.7403 -17.4936 -17.4936 3.7057 3.7057 7.7580 7.7580 13.7952 13.7952 13.9043 13.9043 15.5091 15.5091 15.7979 15.7979 15.8926 15.8926 15.9747 15.9747 16.9542 16.9542 k = 0.0750 0.0433 0.4691 ( 2088 PWs) bands (ev): -41.6561 -41.6561 -18.4130 -18.4130 -17.7420 -17.7420 -17.4964 -17.4964 3.7167 3.7167 7.7874 7.7874 13.6525 13.6525 13.7883 13.7883 15.4582 15.4582 15.8196 15.8196 15.9997 15.9997 16.1041 16.1041 16.9629 16.9629 k = 0.0833 0.0481 0.4691 ( 2088 PWs) bands (ev): -41.6554 -41.6554 -18.4131 -18.4131 -17.7439 -17.7439 -17.4993 -17.4993 3.7291 3.7291 7.8201 7.8201 13.5082 13.5082 13.6735 13.6735 15.4027 15.4027 15.8437 15.8437 16.1049 16.1049 16.2338 16.2338 16.9726 16.9726 k = 0.0917 0.0529 0.4691 ( 2084 PWs) bands (ev): -41.6547 -41.6547 -18.4131 -18.4131 -17.7460 -17.7460 -17.5026 -17.5026 3.7428 3.7428 7.8561 7.8561 13.3627 13.3627 13.5601 13.5601 15.3430 15.3430 15.8703 15.8703 16.2079 16.2079 16.3633 16.3633 16.9833 16.9833 k = 0.1000 0.0577 0.4691 ( 2088 PWs) bands (ev): -41.6539 -41.6539 -18.4132 -18.4132 -17.7482 -17.7482 -17.5061 -17.5061 3.7577 3.7577 7.8954 7.8954 13.2160 13.2160 13.4481 13.4481 15.2795 15.2795 15.8992 15.8992 16.3088 16.3088 16.4926 16.4926 16.9949 16.9949 k = 0.1083 0.0625 0.4691 ( 2088 PWs) bands (ev): -41.6530 -41.6530 -18.4133 -18.4133 -17.7507 -17.7507 -17.5098 -17.5098 3.7740 3.7740 7.9378 7.9378 13.0685 13.0685 13.3377 13.3377 15.2127 15.2127 15.9306 15.9306 16.4074 16.4074 16.6213 16.6213 17.0075 17.0075 k = 0.1167 0.0674 0.4691 ( 2088 PWs) bands (ev): -41.6521 -41.6521 -18.4135 -18.4135 -17.7533 -17.7533 -17.5137 -17.5137 3.7917 3.7917 7.9835 7.9835 12.9201 12.9201 13.2290 13.2290 15.1428 15.1428 15.9642 15.9642 16.5039 16.5039 16.7493 16.7493 17.0210 17.0210 k = 0.1250 0.0722 0.4691 ( 2088 PWs) bands (ev): -41.6511 -41.6511 -18.4136 -18.4136 -17.7561 -17.7561 -17.5178 -17.5178 3.8106 3.8106 8.0322 8.0322 12.7713 12.7713 13.1220 13.1220 15.0704 15.0704 16.0002 16.0002 16.5983 16.5983 16.8761 16.8761 17.0356 17.0356 k = 0.1333 0.0770 0.4691 ( 2088 PWs) bands (ev): -41.6501 -41.6501 -18.4138 -18.4138 -17.7591 -17.7591 -17.5220 -17.5220 3.8309 3.8309 8.0840 8.0840 12.6220 12.6220 13.0167 13.0167 14.9956 14.9956 16.0384 16.0384 16.6906 16.6906 17.0002 17.0002 17.0528 17.0528 k = 0.1417 0.0818 0.4691 ( 2084 PWs) bands (ev): -41.6490 -41.6490 -18.4141 -18.4141 -17.7623 -17.7623 -17.5264 -17.5264 3.8524 3.8524 8.1388 8.1388 12.4724 12.4724 12.9134 12.9134 14.9190 14.9190 16.0788 16.0788 16.7809 16.7809 17.0633 17.0633 17.1305 17.1305 k = 0.1500 0.0866 0.4691 ( 2080 PWs) bands (ev): -41.6479 -41.6479 -18.4144 -18.4144 -17.7656 -17.7656 -17.5309 -17.5309 3.8753 3.8753 8.1964 8.1964 12.3226 12.3226 12.8119 12.8119 14.8407 14.8407 16.1213 16.1213 16.8693 16.8693 17.0815 17.0815 17.2526 17.2526 k = 0.1583 0.0914 0.4691 ( 2080 PWs) bands (ev): -41.6468 -41.6468 -18.4148 -18.4148 -17.7691 -17.7691 -17.5355 -17.5355 3.8996 3.8996 8.2570 8.2570 12.1729 12.1729 12.7123 12.7123 14.7611 14.7611 16.1659 16.1659 16.9557 16.9557 17.0995 17.0995 17.3742 17.3742 k = 0.1667 0.0962 0.4691 ( 2084 PWs) bands (ev): -41.6456 -41.6456 -18.4152 -18.4152 -17.7727 -17.7727 -17.5401 -17.5401 3.9251 3.9251 8.3203 8.3203 12.0233 12.0233 12.6148 12.6148 14.6806 14.6806 16.2126 16.2126 17.0397 17.0397 17.1186 17.1186 17.4942 17.4942 k = 0.1750 0.1010 0.4691 ( 2092 PWs) bands (ev): -41.6443 -41.6443 -18.4156 -18.4156 -17.7765 -17.7765 -17.5448 -17.5448 3.9520 3.9520 8.3862 8.3862 11.8739 11.8739 12.5193 12.5193 14.5992 14.5992 16.2611 16.2611 17.1160 17.1160 17.1445 17.1445 17.6123 17.6123 k = 0.1833 0.1058 0.4691 ( 2088 PWs) bands (ev): -41.6431 -41.6431 -18.4162 -18.4162 -17.7804 -17.7804 -17.5496 -17.5496 3.9802 3.9802 8.4548 8.4548 11.7249 11.7249 12.4258 12.4258 14.5173 14.5173 16.3116 16.3116 17.1509 17.1509 17.2110 17.2110 17.7283 17.7283 k = 0.1917 0.1107 0.4691 ( 2092 PWs) bands (ev): -41.6418 -41.6418 -18.4168 -18.4168 -17.7844 -17.7844 -17.5543 -17.5543 4.0097 4.0097 8.5259 8.5259 11.5764 11.5764 12.3345 12.3345 14.4352 14.4352 16.3638 16.3638 17.1722 17.1722 17.2901 17.2901 17.8421 17.8421 k = 0.2000 0.1155 0.4691 ( 2096 PWs) bands (ev): -41.6404 -41.6404 -18.4175 -18.4175 -17.7885 -17.7885 -17.5591 -17.5591 4.0406 4.0406 8.5993 8.5993 11.4285 11.4285 12.2452 12.2452 14.3529 14.3529 16.4177 16.4177 17.1929 17.1929 17.3690 17.3690 17.9535 17.9535 k = 0.2083 0.1203 0.4691 ( 2092 PWs) bands (ev): -41.6391 -41.6391 -18.4183 -18.4183 -17.7927 -17.7927 -17.5638 -17.5638 4.0728 4.0728 8.6751 8.6751 11.2813 11.2813 12.1582 12.1582 14.2708 14.2708 16.4733 16.4733 17.2138 17.2138 17.4471 17.4471 18.0623 18.0623 k = 0.2167 0.1251 0.4691 ( 2092 PWs) bands (ev): -41.6377 -41.6377 -18.4191 -18.4191 -17.7970 -17.7970 -17.5685 -17.5685 4.1062 4.1062 8.7531 8.7531 11.1350 11.1350 12.0733 12.0733 14.1889 14.1889 16.5303 16.5303 17.2349 17.2349 17.5242 17.5242 18.1684 18.1684 k = 0.2250 0.1299 0.4691 ( 2088 PWs) bands (ev): -41.6363 -41.6363 -18.4200 -18.4200 -17.8013 -17.8013 -17.5731 -17.5731 4.1410 4.1410 8.8331 8.8331 10.9896 10.9896 11.9907 11.9907 14.1074 14.1074 16.5888 16.5888 17.2564 17.2564 17.6005 17.6005 18.2717 18.2717 k = 0.2333 0.1347 0.4691 ( 2088 PWs) bands (ev): -41.6349 -41.6349 -18.4211 -18.4211 -17.8057 -17.8057 -17.5776 -17.5776 4.1771 4.1771 8.9152 8.9152 10.8453 10.8453 11.9103 11.9103 14.0265 14.0265 16.6487 16.6487 17.2781 17.2781 17.6759 17.6759 18.3720 18.3720 k = 0.2417 0.1395 0.4691 ( 2088 PWs) bands (ev): -41.6335 -41.6335 -18.4222 -18.4222 -17.8102 -17.8102 -17.5821 -17.5821 4.2145 4.2145 8.9991 8.9991 10.7021 10.7021 11.8322 11.8322 13.9463 13.9463 16.7097 16.7097 17.3000 17.3000 17.7506 17.7506 18.4693 18.4693 k = 0.2500 0.1443 0.4691 ( 2094 PWs) bands (ev): -41.6321 -41.6321 -18.4233 -18.4233 -17.8147 -17.8147 -17.5865 -17.5865 4.2531 4.2531 9.0846 9.0846 10.5602 10.5602 11.7564 11.7564 13.8668 13.8668 16.7718 16.7718 17.3220 17.3220 17.8247 17.8247 18.5634 18.5634 k = 0.2583 0.1491 0.4691 ( 2094 PWs) bands (ev): -41.6307 -41.6307 -18.4246 -18.4246 -17.8192 -17.8192 -17.5907 -17.5907 4.2930 4.2930 9.1718 9.1718 10.4196 10.4196 11.6828 11.6828 13.7883 13.7883 16.8348 16.8348 17.3442 17.3442 17.8983 17.8983 18.6542 18.6542 k = 0.2667 0.1540 0.4691 ( 2098 PWs) bands (ev): -41.6293 -41.6293 -18.4259 -18.4259 -17.8236 -17.8236 -17.5949 -17.5949 4.3341 4.3341 9.2604 9.2604 10.2805 10.2805 11.6117 11.6117 13.7107 13.7107 16.8987 16.8987 17.3664 17.3664 17.9714 17.9714 18.7418 18.7418 k = 0.2750 0.1588 0.4691 ( 2106 PWs) bands (ev): -41.6279 -41.6279 -18.4273 -18.4273 -17.8281 -17.8281 -17.5989 -17.5989 4.3764 4.3764 9.3503 9.3503 10.1430 10.1430 11.5428 11.5428 13.6342 13.6342 16.9632 16.9632 17.3886 17.3886 18.0441 18.0441 18.8259 18.8259 k = 0.2833 0.1636 0.4691 ( 2098 PWs) bands (ev): -41.6265 -41.6265 -18.4288 -18.4288 -17.8325 -17.8325 -17.6028 -17.6028 4.4199 4.4199 9.4413 9.4413 10.0072 10.0072 11.4764 11.4764 13.5588 13.5588 17.0283 17.0283 17.4107 17.4107 18.1164 18.1164 18.9067 18.9067 k = 0.2917 0.1684 0.4691 ( 2098 PWs) bands (ev): -41.6251 -41.6251 -18.4304 -18.4304 -17.8368 -17.8368 -17.6066 -17.6066 4.4645 4.4645 9.5333 9.5333 9.8732 9.8732 11.4123 11.4123 13.4846 13.4846 17.0937 17.0937 17.4327 17.4327 18.1886 18.1886 18.9840 18.9840 k = 0.3000 0.1732 0.4691 ( 2098 PWs) bands (ev): -41.6238 -41.6238 -18.4320 -18.4320 -17.8411 -17.8411 -17.6102 -17.6102 4.5102 4.5102 9.6258 9.6258 9.7413 9.7413 11.3506 11.3506 13.4115 13.4115 17.1592 17.1592 17.4545 17.4545 18.2605 18.2605 19.0579 19.0579 k = 0.3083 0.1780 0.4691 ( 2094 PWs) bands (ev): -41.6224 -41.6224 -18.4337 -18.4337 -17.8453 -17.8453 -17.6137 -17.6137 4.5570 4.5570 9.6102 9.6102 9.7203 9.7203 11.2914 11.2914 13.3397 13.3397 17.2248 17.2248 17.4760 17.4760 18.3324 18.3324 19.1283 19.1283 k = 0.3167 0.1828 0.4691 ( 2098 PWs) bands (ev): -41.6211 -41.6211 -18.4354 -18.4354 -17.8494 -17.8494 -17.6170 -17.6170 4.6047 4.6047 9.4825 9.4825 9.8140 9.8140 11.2345 11.2345 13.2692 13.2692 17.2902 17.2902 17.4972 17.4972 18.4042 18.4042 19.1953 19.1953 k = 0.3250 0.1876 0.4691 ( 2100 PWs) bands (ev): -41.6198 -41.6198 -18.4372 -18.4372 -17.8533 -17.8533 -17.6202 -17.6202 4.6534 4.6534 9.3568 9.3568 9.9082 9.9082 11.1801 11.1801 13.1998 13.1998 17.3553 17.3553 17.5180 17.5180 18.4759 18.4759 19.2587 19.2587 k = 0.3333 0.1925 0.4691 ( 2100 PWs) bands (ev): -41.6186 -41.6186 -18.4389 -18.4389 -17.8572 -17.8572 -17.6233 -17.6233 4.7028 4.7028 9.2335 9.2335 10.0025 10.0025 11.1282 11.1282 13.1318 13.1318 17.4197 17.4197 17.5384 17.5384 18.5476 18.5476 19.3188 19.3188 k = 0.3417 0.1973 0.4691 ( 2104 PWs) bands (ev): -41.6174 -41.6174 -18.4407 -18.4407 -17.8609 -17.8609 -17.6262 -17.6262 4.7531 4.7531 9.1127 9.1127 10.0967 10.0967 11.0787 11.0787 13.0649 13.0649 17.4833 17.4833 17.5582 17.5582 18.6194 18.6194 19.3755 19.3755 k = 0.3500 0.2021 0.4691 ( 2100 PWs) bands (ev): -41.6162 -41.6162 -18.4426 -18.4426 -17.8645 -17.8645 -17.6289 -17.6289 4.8039 4.8039 8.9946 8.9946 10.1906 10.1906 11.0318 11.0318 12.9993 12.9993 17.5458 17.5458 17.5775 17.5775 18.6912 18.6912 19.4288 19.4288 k = 0.3583 0.2069 0.4691 ( 2100 PWs) bands (ev): -41.6151 -41.6151 -18.4444 -18.4444 -17.8679 -17.8679 -17.6315 -17.6315 4.8552 4.8552 8.8794 8.8794 10.2840 10.2840 10.9873 10.9873 12.9348 12.9348 17.5960 17.5960 17.6072 17.6072 18.7630 18.7630 19.4788 19.4788 k = 0.3667 0.2117 0.4691 ( 2100 PWs) bands (ev): -41.6140 -41.6140 -18.4461 -18.4461 -17.8711 -17.8711 -17.6339 -17.6339 4.9069 4.9069 8.7673 8.7673 10.3767 10.3767 10.9452 10.9452 12.8715 12.8715 17.6140 17.6140 17.6669 17.6669 18.8349 18.8349 19.5256 19.5256 k = 0.3750 0.2165 0.4691 ( 2100 PWs) bands (ev): -41.6130 -41.6130 -18.4479 -18.4479 -17.8742 -17.8742 -17.6362 -17.6362 4.9587 4.9587 8.6585 8.6585 10.4684 10.4684 10.9057 10.9057 12.8094 12.8094 17.6311 17.6311 17.7249 17.7249 18.9068 18.9068 19.5691 19.5691 k = 0.3833 0.2213 0.4691 ( 2104 PWs) bands (ev): -41.6120 -41.6120 -18.4496 -18.4496 -17.8771 -17.8771 -17.6383 -17.6383 5.0104 5.0104 8.5533 8.5533 10.5589 10.5589 10.8688 10.8688 12.7483 12.7483 17.6475 17.6475 17.7808 17.7808 18.9786 18.9786 19.6095 19.6095 k = 0.3917 0.2261 0.4691 ( 2104 PWs) bands (ev): -41.6111 -41.6111 -18.4513 -18.4513 -17.8798 -17.8798 -17.6403 -17.6403 5.0618 5.0618 8.4519 8.4519 10.6480 10.6480 10.8343 10.8343 12.6882 12.6882 17.6630 17.6630 17.8344 17.8344 19.0502 19.0502 19.6469 19.6469 k = 0.4000 0.2309 0.4691 ( 2096 PWs) bands (ev): -41.6102 -41.6102 -18.4529 -18.4529 -17.8823 -17.8823 -17.6421 -17.6421 5.1125 5.1125 8.3548 8.3548 10.7354 10.7354 10.8024 10.8024 12.6293 12.6293 17.6775 17.6775 17.8855 17.8855 19.1216 19.1216 19.6811 19.6811 k = 0.4083 0.2358 0.4691 ( 2096 PWs) bands (ev): -41.6094 -41.6094 -18.4544 -18.4544 -17.8847 -17.8847 -17.6437 -17.6437 5.1624 5.1624 8.2622 8.2622 10.7729 10.7729 10.8208 10.8208 12.5713 12.5713 17.6911 17.6911 17.9337 17.9337 19.1926 19.1926 19.7124 19.7124 k = 0.4167 0.2406 0.4691 ( 2092 PWs) bands (ev): -41.6087 -41.6087 -18.4559 -18.4559 -17.8868 -17.8868 -17.6453 -17.6453 5.2108 5.2108 8.1745 8.1745 10.7461 10.7461 10.9039 10.9039 12.5145 12.5145 17.7037 17.7037 17.9788 17.9788 19.2629 19.2629 19.7408 19.7408 k = 0.4250 0.2454 0.4691 ( 2092 PWs) bands (ev): -41.6080 -41.6080 -18.4572 -18.4572 -17.8888 -17.8888 -17.6466 -17.6466 5.2575 5.2575 8.0924 8.0924 10.7217 10.7217 10.9843 10.9843 12.4588 12.4588 17.7152 17.7152 18.0206 18.0206 19.3322 19.3322 19.7663 19.7663 k = 0.4333 0.2502 0.4691 ( 2092 PWs) bands (ev): -41.6074 -41.6074 -18.4584 -18.4584 -17.8905 -17.8905 -17.6479 -17.6479 5.3018 5.3018 8.0163 8.0163 10.7000 10.7000 11.0615 11.0615 12.4045 12.4045 17.7256 17.7256 18.0587 18.0587 19.4002 19.4002 19.7890 19.7890 k = 0.4417 0.2550 0.4691 ( 2096 PWs) bands (ev): -41.6068 -41.6068 -18.4595 -18.4595 -17.8920 -17.8920 -17.6489 -17.6489 5.3432 5.3432 7.9467 7.9467 10.6807 10.6807 11.1351 11.1351 12.3518 12.3518 17.7349 17.7349 18.0930 18.0930 19.4661 19.4661 19.8090 19.8090 k = 0.4500 0.2598 0.4691 ( 2096 PWs) bands (ev): -41.6064 -41.6064 -18.4605 -18.4605 -17.8934 -17.8934 -17.6499 -17.6499 5.3810 5.3810 7.8844 7.8844 10.6641 10.6641 11.2042 11.2042 12.3013 12.3013 17.7430 17.7430 18.1232 18.1232 19.5292 19.5292 19.8262 19.8262 k = 0.4583 0.2646 0.4691 ( 2092 PWs) bands (ev): -41.6060 -41.6060 -18.4613 -18.4613 -17.8945 -17.8945 -17.6506 -17.6506 5.4147 5.4147 7.8301 7.8301 10.6500 10.6500 11.2680 11.2680 12.2537 12.2537 17.7500 17.7500 18.1492 18.1492 19.5883 19.5883 19.8407 19.8407 k = 0.4667 0.2694 0.4691 ( 2088 PWs) bands (ev): -41.6056 -41.6056 -18.4620 -18.4620 -17.8954 -17.8954 -17.6513 -17.6513 5.4435 5.4435 7.7844 7.7844 10.6384 10.6384 11.3250 11.3250 12.2102 12.2102 17.7556 17.7556 18.1706 18.1706 19.6419 19.6419 19.8525 19.8525 k = 0.4750 0.2742 0.4691 ( 2088 PWs) bands (ev): -41.6054 -41.6054 -18.4626 -18.4626 -17.8962 -17.8962 -17.6518 -17.6518 5.4667 5.4667 7.7480 7.7480 10.6294 10.6294 11.3734 11.3734 12.1725 12.1725 17.7601 17.7601 18.1875 18.1875 19.6878 19.6878 19.8618 19.8618 k = 0.4833 0.2791 0.4691 ( 2088 PWs) bands (ev): -41.6052 -41.6052 -18.4630 -18.4630 -17.8967 -17.8967 -17.6521 -17.6521 5.4837 5.4837 7.7215 7.7215 10.6230 10.6230 11.4110 11.4110 12.1427 12.1427 17.7633 17.7633 18.1997 18.1997 19.7235 19.7235 19.8684 19.8684 k = 0.4917 0.2839 0.4691 ( 2084 PWs) bands (ev): -41.6051 -41.6051 -18.4632 -18.4632 -17.8970 -17.8970 -17.6524 -17.6524 5.4942 5.4942 7.7054 7.7054 10.6192 10.6192 11.4350 11.4350 12.1233 12.1233 17.7652 17.7652 18.2070 18.2070 19.7464 19.7464 19.8725 19.8725 k = 0.5000 0.2887 0.4691 ( 2080 PWs) bands (ev): -41.6050 -41.6050 -18.4633 -18.4633 -17.8971 -17.8971 -17.6524 -17.6524 5.4977 5.4977 7.7000 7.7000 10.6179 10.6179 11.4433 11.4433 12.1166 12.1166 17.7658 17.7658 18.2094 18.2094 19.7543 19.7543 19.8738 19.8738 k = 0.5000 0.2887 0.4691 ( 2080 PWs) bands (ev): -41.6050 -41.6050 -18.4633 -18.4633 -17.8971 -17.8971 -17.6524 -17.6524 5.4977 5.4977 7.7000 7.7000 10.6179 10.6179 11.4433 11.4433 12.1166 12.1166 17.7658 17.7658 18.2094 18.2094 19.7543 19.7543 19.8738 19.8738 k = 0.4952 0.2969 0.4691 ( 2080 PWs) bands (ev): -41.6050 -41.6050 -18.4633 -18.4633 -17.8970 -17.8970 -17.6526 -17.6526 5.4987 5.4987 7.6995 7.6995 10.6154 10.6154 11.4446 11.4446 12.1163 12.1163 17.7659 17.7659 18.2109 18.2109 19.7542 19.7542 19.8662 19.8662 k = 0.4905 0.3052 0.4691 ( 2080 PWs) bands (ev): -41.6050 -41.6050 -18.4632 -18.4632 -17.8968 -17.8968 -17.6531 -17.6531 5.5016 5.5016 7.6981 7.6981 10.6078 10.6078 11.4484 11.4484 12.1157 12.1157 17.7661 17.7661 18.2152 18.2152 19.7536 19.7536 19.8449 19.8449 k = 0.4857 0.3134 0.4691 ( 2080 PWs) bands (ev): -41.6049 -41.6049 -18.4632 -18.4632 -17.8965 -17.8965 -17.6540 -17.6540 5.5064 5.5064 7.6958 7.6958 10.5954 10.5954 11.4547 11.4547 12.1145 12.1145 17.7664 17.7664 18.2225 18.2225 19.7525 19.7525 19.8138 19.8138 k = 0.4810 0.3217 0.4691 ( 2082 PWs) bands (ev): -41.6049 -41.6049 -18.4631 -18.4631 -17.8960 -17.8960 -17.6552 -17.6552 5.5133 5.5133 7.6925 7.6925 10.5782 10.5782 11.4634 11.4634 12.1130 12.1130 17.7669 17.7669 18.2326 18.2326 19.7494 19.7494 19.7784 19.7784 k = 0.4762 0.3299 0.4691 ( 2082 PWs) bands (ev): -41.6047 -41.6047 -18.4629 -18.4629 -17.8954 -17.8954 -17.6568 -17.6568 5.5220 5.5220 7.6881 7.6881 10.5563 10.5563 11.4746 11.4746 12.1111 12.1111 17.7674 17.7674 18.2455 18.2455 19.7294 19.7294 19.7567 19.7567 k = 0.4714 0.3382 0.4691 ( 2086 PWs) bands (ev): -41.6046 -41.6046 -18.4628 -18.4628 -17.8946 -17.8946 -17.6587 -17.6587 5.5327 5.5327 7.6828 7.6828 10.5301 10.5301 11.4881 11.4881 12.1087 12.1087 17.7681 17.7681 18.2614 18.2614 19.6911 19.6911 19.7527 19.7527 k = 0.4667 0.3464 0.4691 ( 2082 PWs) bands (ev): -41.6045 -41.6045 -18.4626 -18.4626 -17.8937 -17.8937 -17.6609 -17.6609 5.5454 5.5454 7.6763 7.6763 10.4998 10.4998 11.5039 11.5039 12.1060 12.1060 17.7689 17.7689 18.2800 18.2800 19.6517 19.6517 19.7505 19.7505 k = 0.4619 0.3547 0.4691 ( 2078 PWs) bands (ev): -41.6043 -41.6043 -18.4624 -18.4624 -17.8927 -17.8927 -17.6634 -17.6634 5.5600 5.5600 7.6686 7.6686 10.4657 10.4657 11.5219 11.5219 12.1030 12.1030 17.7697 17.7697 18.3015 18.3015 19.6139 19.6139 19.7484 19.7484 k = 0.4571 0.3629 0.4691 ( 2082 PWs) bands (ev): -41.6041 -41.6041 -18.4622 -18.4622 -17.8915 -17.8915 -17.6662 -17.6662 5.5765 5.5765 7.6597 7.6597 10.4281 10.4281 11.5420 11.5420 12.0997 12.0997 17.7707 17.7707 18.3257 18.3257 19.5784 19.5784 19.7462 19.7462 k = 0.4524 0.3712 0.4691 ( 2082 PWs) bands (ev): -41.6039 -41.6039 -18.4619 -18.4619 -17.8903 -17.8903 -17.6693 -17.6693 5.5950 5.5950 7.6495 7.6495 10.3874 10.3874 11.5640 11.5640 12.0962 12.0962 17.7717 17.7717 18.3527 18.3527 19.5458 19.5458 19.7438 19.7438 k = 0.4476 0.3794 0.4691 ( 2082 PWs) bands (ev): -41.6037 -41.6037 -18.4617 -18.4617 -17.8889 -17.8889 -17.6727 -17.6727 5.6154 5.6154 7.6379 7.6379 10.3441 10.3441 11.5879 11.5879 12.0925 12.0925 17.7728 17.7728 18.3823 18.3823 19.5162 19.5162 19.7410 19.7410 k = 0.4429 0.3876 0.4691 ( 2086 PWs) bands (ev): -41.6034 -41.6034 -18.4614 -18.4614 -17.8874 -17.8874 -17.6763 -17.6763 5.6378 5.6378 7.6248 7.6248 10.2985 10.2985 11.6135 11.6135 12.0886 12.0886 17.7739 17.7739 18.4147 18.4147 19.4897 19.4897 19.7380 19.7380 k = 0.4381 0.3959 0.4691 ( 2078 PWs) bands (ev): -41.6032 -41.6032 -18.4611 -18.4611 -17.8857 -17.8857 -17.6801 -17.6801 5.6621 5.6621 7.6100 7.6100 10.2511 10.2511 11.6405 11.6405 12.0847 12.0847 17.7751 17.7751 18.4497 18.4497 19.4662 19.4662 19.7346 19.7346 k = 0.4333 0.4041 0.4691 ( 2082 PWs) bands (ev): -41.6029 -41.6029 -18.4609 -18.4609 -17.8840 -17.8840 -17.6841 -17.6841 5.6883 5.6883 7.5934 7.5934 10.2024 10.2024 11.6689 11.6689 12.0807 12.0807 17.7763 17.7763 18.4872 18.4872 19.4458 19.4458 19.7309 19.7309 k = 0.4286 0.4124 0.4691 ( 2078 PWs) bands (ev): -41.6026 -41.6026 -18.4606 -18.4606 -17.8821 -17.8821 -17.6883 -17.6883 5.7165 5.7165 7.5750 7.5750 10.1527 10.1527 11.6984 11.6984 12.0767 12.0767 17.7775 17.7775 18.5273 18.5273 19.4283 19.4283 19.7268 19.7268 k = 0.4238 0.4206 0.4691 ( 2078 PWs) bands (ev): -41.6023 -41.6023 -18.4603 -18.4603 -17.8802 -17.8802 -17.6926 -17.6926 5.7466 5.7466 7.5546 7.5546 10.1026 10.1026 11.7288 11.7288 12.0728 12.0728 17.7787 17.7787 18.5699 18.5699 19.4137 19.4137 19.7224 19.7224 k = 0.4190 0.4289 0.4691 ( 2078 PWs) bands (ev): -41.6021 -41.6021 -18.4601 -18.4601 -17.8782 -17.8782 -17.6971 -17.6971 5.7787 5.7787 7.5320 7.5320 10.0525 10.0525 11.7599 11.7599 12.0691 12.0691 17.7799 17.7799 18.6150 18.6150 19.4018 19.4018 19.7175 19.7175 k = 0.4143 0.4371 0.4691 ( 2082 PWs) bands (ev): -41.6018 -41.6018 -18.4598 -18.4598 -17.8761 -17.8761 -17.7017 -17.7017 5.8127 5.8127 7.5071 7.5071 10.0029 10.0029 11.7914 11.7914 12.0656 12.0656 17.7811 17.7811 18.6624 18.6624 19.3925 19.3925 19.7121 19.7121 k = 0.4095 0.4454 0.4691 ( 2086 PWs) bands (ev): -41.6015 -41.6015 -18.4595 -18.4595 -17.8739 -17.8739 -17.7063 -17.7063 5.8486 5.8486 7.4799 7.4799 9.9541 9.9541 11.8231 11.8231 12.0623 12.0623 17.7822 17.7822 18.7122 18.7122 19.3857 19.3857 19.7063 19.7063 k = 0.4048 0.4536 0.4691 ( 2086 PWs) bands (ev): -41.6012 -41.6012 -18.4593 -18.4593 -17.8717 -17.8717 -17.7110 -17.7110 5.8864 5.8864 7.4501 7.4501 9.9066 9.9066 11.8546 11.8546 12.0595 12.0595 17.7833 17.7833 18.7643 18.7643 19.3813 19.3813 19.7000 19.7000 k = 0.4000 0.4619 0.4691 ( 2090 PWs) bands (ev): -41.6009 -41.6009 -18.4591 -18.4591 -17.8694 -17.8694 -17.7157 -17.7157 5.9262 5.9262 7.4176 7.4176 9.8608 9.8608 11.8857 11.8857 12.0571 12.0571 17.7844 17.7844 18.8187 18.8187 19.3791 19.3791 19.6932 19.6932 k = 0.3952 0.4701 0.4691 ( 2086 PWs) bands (ev): -41.6006 -41.6006 -18.4589 -18.4589 -17.8671 -17.8671 -17.7204 -17.7204 5.9679 5.9679 7.3824 7.3824 9.8171 9.8171 11.9160 11.9160 12.0552 12.0552 17.7854 17.7854 18.8752 18.8752 19.3791 19.3791 19.6858 19.6858 k = 0.3905 0.4784 0.4691 ( 2090 PWs) bands (ev): -41.6003 -41.6003 -18.4587 -18.4587 -17.8648 -17.8648 -17.7249 -17.7249 6.0116 6.0116 7.3445 7.3445 9.7757 9.7757 11.9453 11.9453 12.0539 12.0539 17.7863 17.7863 18.9339 18.9339 19.3811 19.3811 19.6778 19.6778 k = 0.3857 0.4866 0.4691 ( 2086 PWs) bands (ev): -41.6000 -41.6000 -18.4586 -18.4586 -17.8625 -17.8625 -17.7294 -17.7294 6.0571 6.0571 7.3037 7.3037 9.7370 9.7370 11.9730 11.9730 12.0535 12.0535 17.7873 17.7873 18.9947 18.9947 19.3850 19.3850 19.6693 19.6693 k = 0.3810 0.4949 0.4691 ( 2086 PWs) bands (ev): -41.5998 -41.5998 -18.4584 -18.4584 -17.8603 -17.8603 -17.7338 -17.7338 6.1046 6.1046 7.2600 7.2600 9.7013 9.7013 11.9985 11.9985 12.0541 12.0541 17.7881 17.7881 19.0574 19.0574 19.3907 19.3907 19.6600 19.6600 k = 0.3762 0.5031 0.4691 ( 2090 PWs) bands (ev): -41.5995 -41.5995 -18.4583 -18.4583 -17.8581 -17.8581 -17.7379 -17.7379 6.1540 6.1540 7.2135 7.2135 9.6686 9.6686 12.0210 12.0210 12.0566 12.0566 17.7889 17.7889 19.1222 19.1222 19.3981 19.3981 19.6501 19.6501 k = 0.3714 0.5114 0.4691 ( 2086 PWs) bands (ev): -41.5993 -41.5993 -18.4582 -18.4582 -17.8559 -17.8559 -17.7419 -17.7419 6.2053 6.2053 7.1642 7.1642 9.6392 9.6392 12.0381 12.0381 12.0629 12.0629 17.7897 17.7897 19.1888 19.1888 19.4071 19.4071 19.6395 19.6395 k = 0.3667 0.5196 0.4691 ( 2082 PWs) bands (ev): -41.5991 -41.5991 -18.4581 -18.4581 -17.8539 -17.8539 -17.7455 -17.7455 6.2585 6.2585 7.1122 7.1122 9.6133 9.6133 12.0477 12.0477 12.0748 12.0748 17.7904 17.7904 19.2572 19.2572 19.4176 19.4176 19.6282 19.6282 k = 0.3619 0.5279 0.4691 ( 2078 PWs) bands (ev): -41.5989 -41.5989 -18.4581 -18.4581 -17.8521 -17.8521 -17.7488 -17.7488 6.3136 6.3136 7.0576 7.0576 9.5908 9.5908 12.0534 12.0534 12.0886 12.0886 17.7911 17.7911 19.3271 19.3271 19.4297 19.4297 19.6162 19.6162 k = 0.3571 0.5361 0.4691 ( 2074 PWs) bands (ev): -41.5987 -41.5987 -18.4581 -18.4581 -17.8505 -17.8505 -17.7517 -17.7517 6.3707 6.3707 7.0005 7.0005 9.5718 9.5718 12.0585 12.0585 12.1005 12.1005 17.7917 17.7917 19.3979 19.3979 19.4438 19.4438 19.6034 19.6034 k = 0.3524 0.5444 0.4691 ( 2074 PWs) bands (ev): -41.5986 -41.5986 -18.4580 -18.4580 -17.8491 -17.8491 -17.7541 -17.7541 6.4296 6.4296 6.9412 6.9412 9.5564 9.5564 12.0639 12.0639 12.1095 12.1095 17.7923 17.7923 19.4517 19.4517 19.4774 19.4774 19.5902 19.5902 k = 0.3476 0.5526 0.4691 ( 2078 PWs) bands (ev): -41.5984 -41.5984 -18.4580 -18.4580 -17.8480 -17.8480 -17.7561 -17.7561 6.4904 6.4904 6.8796 6.8796 9.5445 9.5445 12.0701 12.0701 12.1149 12.1149 17.7928 17.7928 19.4698 19.4698 19.5460 19.5460 19.5793 19.5793 k = 0.3429 0.5609 0.4691 ( 2078 PWs) bands (ev): -41.5984 -41.5984 -18.4580 -18.4580 -17.8471 -17.8471 -17.7575 -17.7575 6.5532 6.5532 6.8162 6.8162 9.5361 9.5361 12.0768 12.0768 12.1166 12.1166 17.7932 17.7932 19.4861 19.4861 19.5569 19.5569 19.6294 19.6294 k = 0.3381 0.5691 0.4691 ( 2082 PWs) bands (ev): -41.5983 -41.5983 -18.4580 -18.4580 -17.8466 -17.8466 -17.7584 -17.7584 6.6178 6.6178 6.7510 6.7510 9.5311 9.5311 12.0835 12.0835 12.1151 12.1151 17.7935 17.7935 19.5021 19.5021 19.5426 19.5426 19.7061 19.7061 k = 0.3333 0.5774 0.4691 ( 2082 PWs) bands (ev): -41.5983 -41.5983 -18.4580 -18.4580 -17.8465 -17.8465 -17.7587 -17.7587 6.6839 6.6839 6.6847 6.6847 9.5295 9.5295 12.0873 12.0873 12.1131 12.1131 17.7936 17.7936 19.5126 19.5126 19.5325 19.5325 19.7742 19.7742 k = 0.3333 0.5774 0.4691 ( 2082 PWs) bands (ev): -41.5983 -41.5983 -18.4580 -18.4580 -17.8465 -17.8465 -17.7587 -17.7587 6.6839 6.6839 6.6847 6.6847 9.5295 9.5295 12.0873 12.0873 12.1131 12.1131 17.7936 17.7936 19.5126 19.5126 19.5325 19.5325 19.7742 19.7742 k = 0.3286 0.5691 0.4691 ( 2082 PWs) bands (ev): -41.5983 -41.5983 -18.4580 -18.4580 -17.8466 -17.8466 -17.7584 -17.7584 6.6162 6.6162 6.7526 6.7526 9.5311 9.5311 12.0815 12.0815 12.1171 12.1171 17.7934 17.7934 19.5014 19.5014 19.5432 19.5432 19.7053 19.7053 k = 0.3238 0.5609 0.4691 ( 2078 PWs) bands (ev): -41.5984 -41.5984 -18.4580 -18.4580 -17.8471 -17.8471 -17.7576 -17.7576 6.5470 6.5470 6.8229 6.8229 9.5359 9.5359 12.0661 12.0661 12.1271 12.1271 17.7930 17.7930 19.4827 19.4827 19.5597 19.5597 19.6266 19.6266 k = 0.3190 0.5526 0.4691 ( 2074 PWs) bands (ev): -41.5985 -41.5985 -18.4580 -18.4580 -17.8478 -17.8478 -17.7562 -17.7562 6.4768 6.4768 6.8950 6.8950 9.5438 9.5438 12.0440 12.0440 12.1401 12.1401 17.7923 17.7923 19.4619 19.4619 19.5410 19.5410 19.5845 19.5845 k = 0.3143 0.5444 0.4691 ( 2070 PWs) bands (ev): -41.5986 -41.5986 -18.4579 -18.4579 -17.8487 -17.8487 -17.7544 -17.7544 6.4060 6.4060 6.9690 6.9690 9.5547 9.5547 12.0161 12.0161 12.1552 12.1552 17.7911 17.7911 19.4378 19.4378 19.4661 19.4661 19.6013 19.6013 k = 0.3095 0.5361 0.4691 ( 2070 PWs) bands (ev): -41.5988 -41.5988 -18.4578 -18.4578 -17.8497 -17.8497 -17.7521 -17.7521 6.3345 6.3345 7.0448 7.0448 9.5685 9.5685 11.9829 11.9829 12.1720 12.1720 17.7895 17.7895 19.3814 19.3814 19.4208 19.4208 19.6203 19.6203 k = 0.3048 0.5279 0.4691 ( 2070 PWs) bands (ev): -41.5990 -41.5990 -18.4577 -18.4577 -17.8509 -17.8509 -17.7495 -17.7495 6.2626 6.2626 7.1225 7.1225 9.5852 9.5852 11.9444 11.9444 12.1906 12.1906 17.7872 17.7872 19.3044 19.3044 19.3952 19.3952 19.6395 19.6395 k = 0.3000 0.5196 0.4691 ( 2082 PWs) bands (ev): -41.5993 -41.5993 -18.4575 -18.4575 -17.8521 -17.8521 -17.7465 -17.7465 6.1906 6.1906 7.2020 7.2020 9.6046 9.6046 11.9007 11.9007 12.2108 12.2108 17.7842 17.7842 19.2271 19.2271 19.3695 19.3695 19.6586 19.6586 k = 0.2952 0.5114 0.4691 ( 2080 PWs) bands (ev): -41.5996 -41.5996 -18.4573 -18.4573 -17.8533 -17.8533 -17.7433 -17.7433 6.1184 6.1184 7.2834 7.2834 9.6267 9.6267 11.8521 11.8521 12.2328 12.2328 17.7805 17.7805 19.1503 19.1503 19.3428 19.3428 19.6773 19.6773 k = 0.2905 0.5031 0.4691 ( 2084 PWs) bands (ev): -41.6000 -41.6000 -18.4570 -18.4570 -17.8545 -17.8545 -17.7398 -17.7398 6.0463 6.0463 7.3666 7.3666 9.6514 9.6514 11.7987 11.7987 12.2564 12.2564 17.7759 17.7759 19.0742 19.0742 19.3149 19.3149 19.6953 19.6953 k = 0.2857 0.4949 0.4691 ( 2092 PWs) bands (ev): -41.6004 -41.6004 -18.4567 -18.4567 -17.8556 -17.8556 -17.7361 -17.7361 5.9743 5.9743 7.4516 7.4516 9.6787 9.6787 11.7406 11.7406 12.2818 12.2818 17.7702 17.7702 18.9989 18.9989 19.2858 19.2858 19.7125 19.7125 k = 0.2810 0.4866 0.4691 ( 2100 PWs) bands (ev): -41.6008 -41.6008 -18.4563 -18.4563 -17.8566 -17.8566 -17.7322 -17.7322 5.9027 5.9027 7.5384 7.5384 9.7085 9.7085 11.6781 11.6781 12.3090 12.3090 17.7636 17.7636 18.9242 18.9242 19.2554 19.2554 19.7286 19.7286 k = 0.2762 0.4784 0.4691 ( 2100 PWs) bands (ev): -41.6013 -41.6013 -18.4558 -18.4558 -17.8575 -17.8575 -17.7281 -17.7281 5.8315 5.8315 7.6270 7.6270 9.7408 9.7408 11.6115 11.6115 12.3380 12.3380 17.7558 17.7558 18.8502 18.8502 19.2238 19.2238 19.7433 19.7433 k = 0.2714 0.4701 0.4691 ( 2096 PWs) bands (ev): -41.6019 -41.6019 -18.4552 -18.4552 -17.8583 -17.8583 -17.7239 -17.7239 5.7608 5.7608 7.7175 7.7175 9.7754 9.7754 11.5409 11.5409 12.3688 12.3688 17.7468 17.7468 18.7767 18.7767 19.1910 19.1910 19.7564 19.7564 k = 0.2667 0.4619 0.4691 ( 2098 PWs) bands (ev): -41.6025 -41.6025 -18.4546 -18.4546 -17.8589 -17.8589 -17.7196 -17.7196 5.6908 5.6908 7.8096 7.8096 9.8124 9.8124 11.4666 11.4666 12.4014 12.4014 17.7366 17.7366 18.7039 18.7039 19.1569 19.1569 19.7677 19.7677 k = 0.2619 0.4536 0.4691 ( 2098 PWs) bands (ev): -41.6032 -41.6032 -18.4539 -18.4539 -17.8594 -17.8594 -17.7152 -17.7152 5.6214 5.6214 7.9036 7.9036 9.8518 9.8518 11.3890 11.3890 12.4359 12.4359 17.7250 17.7250 18.6315 18.6315 19.1215 19.1215 19.7767 19.7767 k = 0.2571 0.4454 0.4691 ( 2098 PWs) bands (ev): -41.6039 -41.6039 -18.4531 -18.4531 -17.8597 -17.8597 -17.7107 -17.7107 5.5528 5.5528 7.9993 7.9993 9.8934 9.8934 11.3082 11.3082 12.4723 12.4723 17.7121 17.7121 18.5597 18.5597 19.0849 19.0849 19.7831 19.7831 k = 0.2524 0.4371 0.4691 ( 2098 PWs) bands (ev): -41.6047 -41.6047 -18.4523 -18.4523 -17.8598 -17.8598 -17.7061 -17.7061 5.4850 5.4850 8.0968 8.0968 9.9373 9.9373 11.2245 11.2245 12.5106 12.5106 17.6977 17.6977 18.4884 18.4884 19.0470 19.0470 19.7868 19.7868 k = 0.2476 0.4289 0.4691 ( 2098 PWs) bands (ev): -41.6055 -41.6055 -18.4513 -18.4513 -17.8597 -17.8597 -17.7014 -17.7014 5.4181 5.4181 8.1960 8.1960 9.9835 9.9835 11.1383 11.1383 12.5508 12.5508 17.6818 17.6818 18.4176 18.4176 19.0078 19.0078 19.7872 19.7872 k = 0.2429 0.4206 0.4691 ( 2102 PWs) bands (ev): -41.6063 -41.6063 -18.4503 -18.4503 -17.8594 -17.8594 -17.6967 -17.6967 5.3522 5.3522 8.2969 8.2969 10.0318 10.0318 11.0498 11.0498 12.5929 12.5929 17.6644 17.6644 18.3474 18.3474 18.9674 18.9674 19.7840 19.7840 k = 0.2381 0.4124 0.4691 ( 2106 PWs) bands (ev): -41.6072 -41.6072 -18.4492 -18.4492 -17.8589 -17.8589 -17.6919 -17.6919 5.2873 5.2873 8.3995 8.3995 10.0823 10.0823 10.9593 10.9593 12.6369 12.6369 17.6453 17.6453 18.2779 18.2779 18.9257 18.9257 19.7770 19.7770 k = 0.2333 0.4041 0.4691 ( 2106 PWs) bands (ev): -41.6082 -41.6082 -18.4481 -18.4481 -17.8583 -17.8583 -17.6871 -17.6871 5.2234 5.2234 8.5038 8.5038 10.1350 10.1350 10.8670 10.8670 12.6828 12.6828 17.6245 17.6245 18.2092 18.2092 18.8828 18.8828 19.7657 19.7657 k = 0.2286 0.3959 0.4691 ( 2102 PWs) bands (ev): -41.6092 -41.6092 -18.4469 -18.4469 -17.8574 -17.8574 -17.6822 -17.6822 5.1606 5.1606 8.6097 8.6097 10.1898 10.1898 10.7732 10.7732 12.7307 12.7307 17.6019 17.6019 18.1414 18.1414 18.8386 18.8386 19.7499 19.7499 k = 0.2238 0.3876 0.4691 ( 2102 PWs) bands (ev): -41.6102 -41.6102 -18.4456 -18.4456 -17.8563 -17.8563 -17.6773 -17.6773 5.0990 5.0990 8.7173 8.7173 10.2467 10.2467 10.6781 10.6781 12.7804 12.7804 17.5772 17.5772 18.0749 18.0749 18.7932 18.7932 19.7291 19.7291 k = 0.2190 0.3794 0.4691 ( 2102 PWs) bands (ev): -41.6113 -41.6113 -18.4443 -18.4443 -17.8549 -17.8549 -17.6723 -17.6723 5.0385 5.0385 8.8266 8.8266 10.3057 10.3057 10.5822 10.5822 12.8321 12.8321 17.5502 17.5502 18.0099 18.0099 18.7466 18.7466 19.7033 19.7033 k = 0.2143 0.3712 0.4691 ( 2102 PWs) bands (ev): -41.6124 -41.6124 -18.4429 -18.4429 -17.8534 -17.8534 -17.6673 -17.6673 4.9792 4.9792 8.9374 8.9374 10.3662 10.3662 10.4859 10.4859 12.8857 12.8857 17.5207 17.5207 17.9468 17.9468 18.6988 18.6988 19.6722 19.6722 k = 0.2095 0.3629 0.4691 ( 2098 PWs) bands (ev): -41.6136 -41.6136 -18.4415 -18.4415 -17.8517 -17.8517 -17.6623 -17.6623 4.9212 4.9212 9.0499 9.0499 10.3844 10.3844 10.4335 10.4335 12.9411 12.9411 17.4883 17.4883 17.8860 17.8860 18.6498 18.6498 19.6355 19.6355 k = 0.2048 0.3547 0.4691 ( 2098 PWs) bands (ev): -41.6148 -41.6148 -18.4401 -18.4401 -17.8498 -17.8498 -17.6573 -17.6573 4.8643 4.8643 9.1639 9.1639 10.2888 10.2888 10.4966 10.4966 12.9984 12.9984 17.4526 17.4526 17.8280 17.8280 18.5995 18.5995 19.5932 19.5932 k = 0.2000 0.3464 0.4691 ( 2094 PWs) bands (ev): -41.6160 -41.6160 -18.4386 -18.4386 -17.8476 -17.8476 -17.6522 -17.6522 4.8087 4.8087 9.2794 9.2794 10.1910 10.1910 10.5637 10.5637 13.0575 13.0575 17.4135 17.4135 17.7732 17.7732 18.5481 18.5481 19.5453 19.5453 k = 0.1952 0.3382 0.4691 ( 2094 PWs) bands (ev): -41.6173 -41.6173 -18.4371 -18.4371 -17.8453 -17.8453 -17.6472 -17.6472 4.7544 4.7544 9.3965 9.3965 10.0931 10.0931 10.6331 10.6331 13.1185 13.1185 17.3705 17.3705 17.7220 17.7220 18.4954 18.4954 19.4917 19.4917 k = 0.1905 0.3299 0.4691 ( 2094 PWs) bands (ev): -41.6186 -41.6186 -18.4356 -18.4356 -17.8428 -17.8428 -17.6421 -17.6421 4.7014 4.7014 9.5151 9.5151 9.9954 9.9954 10.7045 10.7045 13.1812 13.1812 17.3238 17.3238 17.6744 17.6744 18.4415 18.4415 19.4326 19.4326 k = 0.1857 0.3217 0.4691 ( 2098 PWs) bands (ev): -41.6199 -41.6199 -18.4342 -18.4342 -17.8401 -17.8401 -17.6370 -17.6370 4.6497 4.6497 9.6351 9.6351 9.8980 9.8980 10.7779 10.7779 13.2456 13.2456 17.2735 17.2735 17.6306 17.6306 18.3864 18.3864 19.3680 19.3680 k = 0.1810 0.3134 0.4691 ( 2098 PWs) bands (ev): -41.6212 -41.6212 -18.4327 -18.4327 -17.8373 -17.8373 -17.6318 -17.6318 4.5993 4.5993 9.7566 9.7566 9.8012 9.8012 10.8533 10.8533 13.3117 13.3117 17.2201 17.2201 17.5901 17.5901 18.3301 18.3301 19.2982 19.2982 k = 0.1762 0.3052 0.4691 ( 2094 PWs) bands (ev): -41.6226 -41.6226 -18.4313 -18.4313 -17.8342 -17.8342 -17.6267 -17.6267 4.5502 4.5502 9.7051 9.7051 9.8795 9.8795 10.9307 10.9307 13.3795 13.3795 17.1641 17.1641 17.5525 17.5525 18.2725 18.2725 19.2234 19.2234 k = 0.1714 0.2969 0.4691 ( 2098 PWs) bands (ev): -41.6240 -41.6240 -18.4299 -18.4299 -17.8310 -17.8310 -17.6216 -17.6216 4.5024 4.5024 9.6099 9.6099 10.0037 10.0037 11.0101 11.0101 13.4488 13.4488 17.1061 17.1061 17.5175 17.5175 18.2137 18.2137 19.1438 19.1438 k = 0.1667 0.2887 0.4691 ( 2098 PWs) bands (ev): -41.6254 -41.6254 -18.4285 -18.4285 -17.8277 -17.8277 -17.6164 -17.6164 4.4560 4.4560 9.5157 9.5157 10.1293 10.1293 11.0913 11.0913 13.5197 13.5197 17.0466 17.0466 17.4845 17.4845 18.1536 18.1536 19.0598 19.0598 k = 0.1619 0.2804 0.4691 ( 2092 PWs) bands (ev): -41.6268 -41.6268 -18.4272 -18.4272 -17.8243 -17.8243 -17.6112 -17.6112 4.4109 4.4109 9.4226 9.4226 10.2562 10.2562 11.1745 11.1745 13.5920 13.5920 16.9862 16.9862 17.4532 17.4532 18.0922 18.0922 18.9716 18.9716 k = 0.1571 0.2722 0.4691 ( 2092 PWs) bands (ev): -41.6282 -41.6282 -18.4259 -18.4259 -17.8207 -17.8207 -17.6060 -17.6060 4.3671 4.3671 9.3309 9.3309 10.3843 10.3843 11.2596 11.2596 13.6656 13.6656 16.9254 16.9254 17.4234 17.4234 18.0295 18.0295 18.8795 18.8795 k = 0.1524 0.2639 0.4691 ( 2090 PWs) bands (ev): -41.6296 -41.6296 -18.4247 -18.4247 -17.8171 -17.8171 -17.6009 -17.6009 4.3247 4.3247 9.2405 9.2405 10.5137 10.5137 11.3466 11.3466 13.7406 13.7406 16.8644 16.8644 17.3947 17.3947 17.9655 17.9655 18.7838 18.7838 k = 0.1476 0.2557 0.4691 ( 2090 PWs) bands (ev): -41.6310 -41.6310 -18.4235 -18.4235 -17.8133 -17.8133 -17.5957 -17.5957 4.2836 4.2836 9.1517 9.1517 10.6442 10.6442 11.4354 11.4354 13.8168 13.8168 16.8036 16.8036 17.3671 17.3671 17.9000 17.9000 18.6848 18.6848 k = 0.1429 0.2474 0.4691 ( 2098 PWs) bands (ev): -41.6324 -41.6324 -18.4224 -18.4224 -17.8095 -17.8095 -17.5905 -17.5905 4.2439 4.2439 9.0646 9.0646 10.7759 10.7759 11.5260 11.5260 13.8940 13.8940 16.7433 16.7433 17.3404 17.3404 17.8331 17.8331 18.5827 18.5827 k = 0.1381 0.2392 0.4691 ( 2094 PWs) bands (ev): -41.6338 -41.6338 -18.4213 -18.4213 -17.8057 -17.8057 -17.5853 -17.5853 4.2055 4.2055 8.9792 8.9792 10.9086 10.9086 11.6183 11.6183 13.9723 13.9723 16.6836 16.6836 17.3146 17.3146 17.7648 17.7648 18.4779 18.4779 k = 0.1333 0.2309 0.4691 ( 2090 PWs) bands (ev): -41.6353 -41.6353 -18.4204 -18.4204 -17.8018 -17.8018 -17.5801 -17.5801 4.1684 4.1684 8.8958 8.8958 11.0423 11.0423 11.7125 11.7125 14.0514 14.0514 16.6248 16.6248 17.2895 17.2895 17.6949 17.6949 18.3706 18.3706 k = 0.1286 0.2227 0.4691 ( 2090 PWs) bands (ev): -41.6366 -41.6366 -18.4195 -18.4195 -17.7979 -17.7979 -17.5749 -17.5749 4.1327 4.1327 8.8143 8.8143 11.1771 11.1771 11.8083 11.8083 14.1312 14.1312 16.5669 16.5669 17.2652 17.2652 17.6234 17.6234 18.2609 18.2609 k = 0.1238 0.2144 0.4691 ( 2094 PWs) bands (ev): -41.6380 -41.6380 -18.4186 -18.4186 -17.7939 -17.7939 -17.5698 -17.5698 4.0983 4.0983 8.7349 8.7349 11.3127 11.3127 11.9059 11.9059 14.2117 14.2117 16.5103 16.5103 17.2415 17.2415 17.5504 17.5504 18.1492 18.1492 k = 0.1190 0.2062 0.4691 ( 2094 PWs) bands (ev): -41.6394 -41.6394 -18.4179 -18.4179 -17.7901 -17.7901 -17.5647 -17.5647 4.0653 4.0653 8.6577 8.6577 11.4492 11.4492 12.0051 12.0051 14.2926 14.2926 16.4549 16.4549 17.2186 17.2186 17.4757 17.4757 18.0356 18.0356 k = 0.1143 0.1979 0.4691 ( 2094 PWs) bands (ev): -41.6407 -41.6407 -18.4172 -18.4172 -17.7862 -17.7862 -17.5596 -17.5596 4.0336 4.0336 8.5828 8.5828 11.5865 11.5865 12.1059 12.1059 14.3738 14.3738 16.4010 16.4010 17.1962 17.1962 17.3994 17.3994 17.9203 17.9203 k = 0.1095 0.1897 0.4691 ( 2094 PWs) bands (ev): -41.6420 -41.6420 -18.4165 -18.4165 -17.7824 -17.7824 -17.5545 -17.5545 4.0032 4.0032 8.5103 8.5103 11.7245 11.7245 12.2083 12.2083 14.4550 14.4550 16.3485 16.3485 17.1745 17.1745 17.3213 17.3213 17.8035 17.8035 k = 0.1048 0.1815 0.4691 ( 2094 PWs) bands (ev): -41.6433 -41.6433 -18.4160 -18.4160 -17.7787 -17.7787 -17.5495 -17.5495 3.9741 3.9741 8.4402 8.4402 11.8631 11.8631 12.3122 12.3122 14.5362 14.5362 16.2977 16.2977 17.1530 17.1530 17.2419 17.2419 17.6853 17.6853 k = 0.1000 0.1732 0.4691 ( 2098 PWs) bands (ev): -41.6446 -41.6446 -18.4155 -18.4155 -17.7750 -17.7750 -17.5446 -17.5446 3.9464 3.9464 8.3726 8.3726 12.0023 12.0023 12.4177 12.4177 14.6170 14.6170 16.2486 16.2486 17.1290 17.1290 17.1639 17.1639 17.5659 17.5659 k = 0.0952 0.1650 0.4691 ( 2096 PWs) bands (ev): -41.6458 -41.6458 -18.4150 -18.4150 -17.7715 -17.7715 -17.5398 -17.5398 3.9200 3.9200 8.3077 8.3077 12.1420 12.1420 12.5245 12.5245 14.6974 14.6974 16.2013 16.2013 17.0700 17.0700 17.1196 17.1196 17.4455 17.4455 k = 0.0905 0.1567 0.4691 ( 2096 PWs) bands (ev): -41.6470 -41.6470 -18.4146 -18.4146 -17.7680 -17.7680 -17.5350 -17.5350 3.8949 3.8949 8.2454 8.2454 12.2821 12.2821 12.6328 12.6328 14.7769 14.7769 16.1558 16.1558 16.9861 16.9861 17.0988 17.0988 17.3241 17.3241 k = 0.0857 0.1485 0.4691 ( 2096 PWs) bands (ev): -41.6481 -41.6481 -18.4143 -18.4143 -17.7647 -17.7647 -17.5304 -17.5304 3.8711 3.8711 8.1859 8.1859 12.4225 12.4225 12.7425 12.7425 14.8554 14.8554 16.1123 16.1123 16.8985 16.8985 17.0801 17.0801 17.2022 17.2022 k = 0.0810 0.1402 0.4691 ( 2096 PWs) bands (ev): -41.6492 -41.6492 -18.4140 -18.4140 -17.7615 -17.7615 -17.5259 -17.5259 3.8487 3.8487 8.1292 8.1292 12.5632 12.5632 12.8534 12.8534 14.9326 14.9326 16.0708 16.0708 16.8085 16.8085 17.0570 17.0570 17.0851 17.0851 k = 0.0762 0.1320 0.4691 ( 2088 PWs) bands (ev): -41.6503 -41.6503 -18.4138 -18.4138 -17.7585 -17.7585 -17.5215 -17.5215 3.8275 3.8275 8.0755 8.0755 12.7040 12.7040 12.9656 12.9656 15.0081 15.0081 16.0314 16.0314 16.7162 16.7162 16.9522 16.9522 17.0500 17.0500 k = 0.0714 0.1237 0.4691 ( 2088 PWs) bands (ev): -41.6513 -41.6513 -18.4136 -18.4136 -17.7556 -17.7556 -17.5172 -17.5172 3.8076 3.8076 8.0246 8.0246 12.8448 12.8448 13.0789 13.0789 15.0818 15.0818 15.9940 15.9940 16.6216 16.6216 16.8286 16.8286 17.0340 17.0340 k = 0.0667 0.1155 0.4691 ( 2094 PWs) bands (ev): -41.6522 -41.6522 -18.4134 -18.4134 -17.7529 -17.7529 -17.5132 -17.5132 3.7891 3.7891 7.9768 7.9768 12.9855 12.9855 13.1934 13.1934 15.1531 15.1531 15.9589 15.9589 16.5249 16.5249 16.7039 16.7039 17.0195 17.0195 k = 0.0619 0.1072 0.4691 ( 2086 PWs) bands (ev): -41.6531 -41.6531 -18.4133 -18.4133 -17.7503 -17.7503 -17.5093 -17.5093 3.7718 3.7718 7.9320 7.9320 13.1260 13.1260 13.3090 13.3090 15.2219 15.2219 15.9260 15.9260 16.4259 16.4259 16.5786 16.5786 17.0061 17.0061 k = 0.0571 0.0990 0.4691 ( 2086 PWs) bands (ev): -41.6540 -41.6540 -18.4132 -18.4132 -17.7479 -17.7479 -17.5057 -17.5057 3.7558 3.7558 7.8904 7.8904 13.2661 13.2661 13.4255 13.4255 15.2876 15.2876 15.8953 15.8953 16.3247 16.3247 16.4531 16.4531 16.9937 16.9937 k = 0.0524 0.0907 0.4691 ( 2088 PWs) bands (ev): -41.6548 -41.6548 -18.4131 -18.4131 -17.7457 -17.7457 -17.5022 -17.5022 3.7412 3.7412 7.8519 7.8519 13.4058 13.4058 13.5429 13.5429 15.3500 15.3500 15.8670 15.8670 16.2213 16.2213 16.3273 16.3273 16.9822 16.9822 k = 0.0476 0.0825 0.4691 ( 2084 PWs) bands (ev): -41.6555 -41.6555 -18.4131 -18.4131 -17.7437 -17.7437 -17.4990 -17.4990 3.7278 3.7278 7.8166 7.8166 13.5448 13.5448 13.6611 13.6611 15.4087 15.4087 15.8411 15.8411 16.1157 16.1157 16.2015 16.2015 16.9717 16.9717 k = 0.0429 0.0742 0.4691 ( 2080 PWs) bands (ev): -41.6561 -41.6561 -18.4130 -18.4130 -17.7418 -17.7418 -17.4961 -17.4961 3.7157 3.7157 7.7845 7.7845 13.6830 13.6830 13.7799 13.7799 15.4632 15.4632 15.8175 15.8175 16.0081 16.0081 16.0758 16.0758 16.9621 16.9621 k = 0.0381 0.0660 0.4691 ( 2080 PWs) bands (ev): -41.6567 -41.6567 -18.4130 -18.4130 -17.7402 -17.7402 -17.4934 -17.4934 3.7048 3.7048 7.7558 7.7558 13.8202 13.8202 13.8993 13.8993 15.5131 15.5131 15.7962 15.7962 15.8987 15.8987 15.9503 15.9503 16.9536 16.9536 k = 0.0333 0.0577 0.4691 ( 2080 PWs) bands (ev): -41.6573 -41.6573 -18.4130 -18.4130 -17.7387 -17.7387 -17.4910 -17.4910 3.6953 3.6953 7.7303 7.7303 13.9560 13.9560 14.0189 14.0189 15.5580 15.5580 15.7751 15.7751 15.7893 15.7893 15.8260 15.8260 16.9460 16.9460 k = 0.0286 0.0495 0.4691 ( 2076 PWs) bands (ev): -41.6577 -41.6577 -18.4130 -18.4130 -17.7374 -17.7374 -17.4889 -17.4889 3.6870 3.6870 7.7082 7.7082 14.0902 14.0902 14.1386 14.1386 15.5970 15.5970 15.6741 15.6741 15.7006 15.7006 15.7633 15.7633 16.9394 16.9394 k = 0.0238 0.0412 0.4691 ( 2080 PWs) bands (ev): -41.6581 -41.6581 -18.4130 -18.4130 -17.7363 -17.7363 -17.4871 -17.4871 3.6800 3.6800 7.6894 7.6894 14.2222 14.2222 14.2577 14.2577 15.5593 15.5593 15.5763 15.5763 15.6336 15.6336 15.7495 15.7495 16.9338 16.9338 k = 0.0190 0.0330 0.4691 ( 2080 PWs) bands (ev): -41.6584 -41.6584 -18.4130 -18.4130 -17.7355 -17.7355 -17.4856 -17.4856 3.6743 3.6743 7.6740 7.6740 14.3510 14.3510 14.3754 14.3754 15.4451 15.4451 15.4570 15.4570 15.6600 15.6600 15.7393 15.7393 16.9292 16.9292 k = 0.0143 0.0247 0.4691 ( 2080 PWs) bands (ev): -41.6587 -41.6587 -18.4130 -18.4130 -17.7348 -17.7348 -17.4845 -17.4845 3.6698 3.6698 7.6620 7.6620 14.4748 14.4748 14.4899 14.4899 15.3317 15.3317 15.3416 15.3416 15.6801 15.6801 15.7326 15.7326 16.9256 16.9256 k = 0.0095 0.0165 0.4691 ( 2082 PWs) bands (ev): -41.6589 -41.6589 -18.4130 -18.4130 -17.7343 -17.7343 -17.4836 -17.4836 3.6667 3.6667 7.6535 7.6535 14.5891 14.5891 14.5968 14.5968 15.2241 15.2241 15.2346 15.2346 15.6924 15.6924 15.7302 15.7302 16.9231 16.9231 k = 0.0048 0.0082 0.4691 ( 2082 PWs) bands (ev): -41.6590 -41.6590 -18.4130 -18.4130 -17.7340 -17.7340 -17.4831 -17.4831 3.6647 3.6647 7.6483 7.6483 14.6817 14.6817 14.6847 14.6847 15.1350 15.1350 15.1473 15.1473 15.6976 15.6976 15.7311 15.7311 16.9215 16.9215 k = 0.0000 0.0000 0.4691 ( 2082 PWs) bands (ev): -41.6590 -41.6590 -18.4130 -18.4130 -17.7339 -17.7339 -17.4830 -17.4830 3.6641 3.6641 7.6466 7.6466 14.7207 14.7207 14.7241 14.7241 15.0958 15.0958 15.1094 15.1094 15.6987 15.6987 15.7320 15.7320 16.9210 16.9210 k = 0.5000 0.2887 0.4691 ( 2080 PWs) bands (ev): -41.6050 -41.6050 -18.4633 -18.4633 -17.8971 -17.8971 -17.6524 -17.6524 5.4977 5.4977 7.7000 7.7000 10.6179 10.6179 11.4433 11.4433 12.1166 12.1166 17.7658 17.7658 18.2094 18.2094 19.7543 19.7543 19.8738 19.8738 k = 0.5000 0.2887 0.4596 ( 2080 PWs) bands (ev): -41.6051 -41.6051 -18.4632 -18.4632 -17.8970 -17.8970 -17.6524 -17.6524 5.4982 5.4982 7.6971 7.6971 10.6189 10.6189 11.4467 11.4467 12.1165 12.1165 17.7626 17.7626 18.2092 18.2092 19.7554 19.7554 19.8697 19.8697 k = 0.5000 0.2887 0.4500 ( 2082 PWs) bands (ev): -41.6051 -41.6051 -18.4631 -18.4631 -17.8968 -17.8968 -17.6525 -17.6525 5.4997 5.4997 7.6884 7.6884 10.6221 10.6221 11.4568 11.4568 12.1163 12.1163 17.7531 17.7531 18.2087 18.2087 19.7585 19.7585 19.8575 19.8575 k = 0.5000 0.2887 0.4404 ( 2086 PWs) bands (ev): -41.6052 -41.6052 -18.4628 -18.4628 -17.8965 -17.8965 -17.6525 -17.6525 5.5022 5.5022 7.6740 7.6740 10.6274 10.6274 11.4736 11.4736 12.1159 12.1159 17.7374 17.7374 18.2077 18.2077 19.7635 19.7635 19.8374 19.8374 k = 0.5000 0.2887 0.4309 ( 2078 PWs) bands (ev): -41.6053 -41.6053 -18.4624 -18.4624 -17.8960 -17.8960 -17.6526 -17.6526 5.5058 5.5058 7.6541 7.6541 10.6348 10.6348 11.4967 11.4967 12.1154 12.1154 17.7160 17.7160 18.2064 18.2064 19.7699 19.7699 19.8104 19.8104 k = 0.5000 0.2887 0.4213 ( 2072 PWs) bands (ev): -41.6054 -41.6054 -18.4618 -18.4618 -17.8953 -17.8953 -17.6526 -17.6526 5.5103 5.5103 7.6291 7.6291 10.6443 10.6443 11.5258 11.5258 12.1148 12.1148 17.6893 17.6893 18.2047 18.2047 19.7657 19.7657 19.7883 19.7883 k = 0.5000 0.2887 0.4117 ( 2080 PWs) bands (ev): -41.6056 -41.6056 -18.4612 -18.4612 -17.8946 -17.8946 -17.6527 -17.6527 5.5158 5.5158 7.5991 7.5991 10.6559 10.6559 11.5606 11.5606 12.1141 12.1141 17.6581 17.6581 18.2027 18.2027 19.7271 19.7271 19.7957 19.7957 k = 0.5000 0.2887 0.4021 ( 2080 PWs) bands (ev): -41.6057 -41.6057 -18.4605 -18.4605 -17.8937 -17.8937 -17.6528 -17.6528 5.5222 5.5222 7.5647 7.5647 10.6695 10.6695 11.6006 11.6006 12.1132 12.1132 17.6229 17.6229 18.2003 18.2003 19.6778 19.6778 19.8091 19.8091 k = 0.5000 0.2887 0.3926 ( 2076 PWs) bands (ev): -41.6059 -41.6059 -18.4597 -18.4597 -17.8926 -17.8926 -17.6529 -17.6529 5.5295 5.5295 7.5262 7.5262 10.6852 10.6852 11.6454 11.6454 12.1122 12.1122 17.5845 17.5845 18.1975 18.1975 19.6216 19.6216 19.8252 19.8252 k = 0.5000 0.2887 0.3830 ( 2076 PWs) bands (ev): -41.6062 -41.6062 -18.4587 -18.4587 -17.8915 -17.8915 -17.6530 -17.6530 5.5378 5.5378 7.4840 7.4840 10.7029 10.7029 11.6944 11.6944 12.1111 12.1111 17.5436 17.5436 18.1945 18.1945 19.5594 19.5594 19.8437 19.8437 k = 0.5000 0.2887 0.3734 ( 2084 PWs) bands (ev): -41.6064 -41.6064 -18.4577 -18.4577 -17.8902 -17.8902 -17.6532 -17.6532 5.5469 5.5469 7.4384 7.4384 10.7225 10.7225 11.7471 11.7471 12.1099 12.1099 17.5010 17.5010 18.1911 18.1911 19.4916 19.4916 19.8644 19.8644 k = 0.5000 0.2887 0.3638 ( 2088 PWs) bands (ev): -41.6067 -41.6067 -18.4567 -18.4567 -17.8888 -17.8888 -17.6533 -17.6533 5.5569 5.5569 7.3901 7.3901 10.7441 10.7441 11.8029 11.8029 12.1085 12.1085 17.4574 17.4574 18.1874 18.1874 19.4188 19.4188 19.8874 19.8874 k = 0.5000 0.2887 0.3543 ( 2092 PWs) bands (ev): -41.6070 -41.6070 -18.4555 -18.4555 -17.8872 -17.8872 -17.6534 -17.6534 5.5676 5.5676 7.3392 7.3392 10.7676 10.7676 11.8614 11.8614 12.1071 12.1071 17.4136 17.4136 18.1834 18.1834 19.3415 19.3415 19.9127 19.9127 k = 0.5000 0.2887 0.3447 ( 2088 PWs) bands (ev): -41.6073 -41.6073 -18.4543 -18.4543 -17.8856 -17.8856 -17.6535 -17.6535 5.5791 5.5791 7.2863 7.2863 10.7929 10.7929 11.9218 11.9218 12.1056 12.1056 17.3704 17.3704 18.1792 18.1792 19.2602 19.2602 19.9403 19.9403 k = 0.5000 0.2887 0.3351 ( 2088 PWs) bands (ev): -41.6077 -41.6077 -18.4530 -18.4530 -17.8839 -17.8839 -17.6537 -17.6537 5.5914 5.5914 7.2317 7.2317 10.8201 10.8201 11.9838 11.9838 12.1040 12.1040 17.3283 17.3283 18.1747 18.1747 19.1753 19.1753 19.9701 19.9701 k = 0.5000 0.2887 0.3255 ( 2088 PWs) bands (ev): -41.6080 -41.6080 -18.4517 -18.4517 -17.8820 -17.8820 -17.6538 -17.6538 5.6043 5.6043 7.1758 7.1758 10.8490 10.8490 12.0463 12.0463 12.1028 12.1028 17.2880 17.2880 18.1700 18.1700 19.0873 19.0873 20.0021 20.0021 k = 0.5000 0.2887 0.3160 ( 2094 PWs) bands (ev): -41.6084 -41.6084 -18.4503 -18.4503 -17.8801 -17.8801 -17.6539 -17.6539 5.6178 5.6178 7.1188 7.1188 10.8796 10.8796 12.0961 12.0961 12.1148 12.1148 17.2501 17.2501 18.1651 18.1651 18.9966 18.9966 20.0363 20.0363 k = 0.5000 0.2887 0.3064 ( 2094 PWs) bands (ev): -41.6088 -41.6088 -18.4490 -18.4490 -17.8780 -17.8780 -17.6540 -17.6540 5.6319 5.6319 7.0611 7.0611 10.9119 10.9119 12.0972 12.0972 12.1753 12.1753 17.2153 17.2153 18.1600 18.1600 18.9036 18.9036 20.0715 20.0715 k = 0.5000 0.2887 0.2968 ( 2094 PWs) bands (ev): -41.6092 -41.6092 -18.4476 -18.4476 -17.8759 -17.8759 -17.6540 -17.6540 5.6465 5.6465 7.0029 7.0029 10.9457 10.9457 12.0955 12.0955 12.2381 12.2381 17.1840 17.1840 18.1548 18.1548 18.8087 18.8087 20.0954 20.0954 k = 0.5000 0.2887 0.2872 ( 2088 PWs) bands (ev): -41.6096 -41.6096 -18.4461 -18.4461 -17.8737 -17.8737 -17.6541 -17.6541 5.6616 5.6616 6.9446 6.9446 10.9810 10.9810 12.0935 12.0935 12.3002 12.3002 17.1568 17.1568 18.1494 18.1494 18.7123 18.7123 20.0764 20.0764 k = 0.5000 0.2887 0.2777 ( 2084 PWs) bands (ev): -41.6100 -41.6100 -18.4447 -18.4447 -17.8715 -17.8715 -17.6541 -17.6541 5.6771 5.6771 6.8864 6.8864 11.0176 11.0176 12.0914 12.0914 12.3610 12.3610 17.1341 17.1341 18.1438 18.1438 18.6148 18.6148 20.0493 20.0493 k = 0.5000 0.2887 0.2681 ( 2084 PWs) bands (ev): -41.6104 -41.6104 -18.4433 -18.4433 -17.8692 -17.8692 -17.6541 -17.6541 5.6929 5.6929 6.8284 6.8284 11.0557 11.0557 12.0892 12.0892 12.4201 12.4201 17.1162 17.1162 18.1382 18.1382 18.5164 18.5164 20.0207 20.0207 k = 0.5000 0.2887 0.2585 ( 2088 PWs) bands (ev): -41.6109 -41.6109 -18.4419 -18.4419 -17.8669 -17.8669 -17.6541 -17.6541 5.7090 5.7090 6.7710 6.7710 11.0949 11.0949 12.0870 12.0870 12.4770 12.4770 17.1037 17.1037 18.1324 18.1324 18.4176 18.4176 19.9912 19.9912 k = 0.5000 0.2887 0.2489 ( 2096 PWs) bands (ev): -41.6113 -41.6113 -18.4405 -18.4405 -17.8645 -17.8645 -17.6540 -17.6540 5.7253 5.7253 6.7142 6.7142 11.1352 11.1352 12.0848 12.0848 12.5314 12.5314 17.0968 17.0968 18.1265 18.1265 18.3187 18.3187 19.9609 19.9609 k = 0.5000 0.2887 0.2394 ( 2100 PWs) bands (ev): -41.6118 -41.6118 -18.4391 -18.4391 -17.8621 -17.8621 -17.6539 -17.6539 5.7418 5.7418 6.6584 6.6584 11.1765 11.1765 12.0825 12.0825 12.5831 12.5831 17.0957 17.0957 18.1203 18.1203 18.2202 18.2202 19.9297 19.9297 k = 0.5000 0.2887 0.2298 ( 2096 PWs) bands (ev): -41.6122 -41.6122 -18.4377 -18.4377 -17.8598 -17.8598 -17.6538 -17.6538 5.7583 5.7583 6.6036 6.6036 11.2187 11.2187 12.0801 12.0801 12.6317 12.6317 17.1006 17.1006 18.1075 18.1075 18.1286 18.1286 19.8974 19.8974 k = 0.5000 0.2887 0.2202 ( 2096 PWs) bands (ev): -41.6127 -41.6127 -18.4364 -18.4364 -17.8574 -17.8574 -17.6536 -17.6536 5.7749 5.7749 6.5500 6.5500 11.2617 11.2617 12.0778 12.0778 12.6771 12.6771 17.1118 17.1118 18.0215 18.0215 18.1111 18.1111 19.8641 19.8641 k = 0.5000 0.2887 0.2106 ( 2100 PWs) bands (ev): -41.6131 -41.6131 -18.4351 -18.4351 -17.8550 -17.8550 -17.6534 -17.6534 5.7914 5.7914 6.4977 6.4977 11.3052 11.3052 12.0755 12.0755 12.7192 12.7192 17.1291 17.1291 17.9252 17.9252 18.1048 18.1048 19.8295 19.8295 k = 0.5000 0.2887 0.2011 ( 2100 PWs) bands (ev): -41.6135 -41.6135 -18.4339 -18.4339 -17.8527 -17.8527 -17.6532 -17.6532 5.8078 5.8078 6.4470 6.4470 11.3492 11.3492 12.0732 12.0732 12.7578 12.7578 17.1527 17.1527 17.8297 17.8297 18.0990 18.0990 19.7936 19.7936 k = 0.5000 0.2887 0.1915 ( 2100 PWs) bands (ev): -41.6140 -41.6140 -18.4327 -18.4327 -17.8504 -17.8504 -17.6529 -17.6529 5.8240 5.8240 6.3978 6.3978 11.3935 11.3935 12.0709 12.0709 12.7929 12.7929 17.1825 17.1825 17.7357 17.7357 18.0934 18.0934 19.7563 19.7563 k = 0.5000 0.2887 0.1819 ( 2100 PWs) bands (ev): -41.6144 -41.6144 -18.4315 -18.4315 -17.8481 -17.8481 -17.6526 -17.6526 5.8400 5.8400 6.3504 6.3504 11.4379 11.4379 12.0686 12.0686 12.8246 12.8246 17.2182 17.2182 17.6434 17.6434 18.0880 18.0880 19.7175 19.7175 k = 0.5000 0.2887 0.1723 ( 2100 PWs) bands (ev): -41.6148 -41.6148 -18.4304 -18.4304 -17.8460 -17.8460 -17.6523 -17.6523 5.8556 5.8556 6.3048 6.3048 11.4822 11.4822 12.0664 12.0664 12.8529 12.8529 17.2598 17.2598 17.5533 17.5533 18.0827 18.0827 19.6770 19.6770 k = 0.5000 0.2887 0.1628 ( 2104 PWs) bands (ev): -41.6152 -41.6152 -18.4294 -18.4294 -17.8438 -17.8438 -17.6519 -17.6519 5.8708 5.8708 6.2611 6.2611 11.5262 11.5262 12.0642 12.0642 12.8780 12.8780 17.3068 17.3068 17.4656 17.4656 18.0776 18.0776 19.6348 19.6348 k = 0.5000 0.2887 0.1532 ( 2100 PWs) bands (ev): -41.6156 -41.6156 -18.4284 -18.4284 -17.8418 -17.8418 -17.6515 -17.6515 5.8855 5.8855 6.2194 6.2194 11.5697 11.5697 12.0621 12.0621 12.9000 12.9000 17.3578 17.3578 17.3818 17.3818 18.0726 18.0726 19.5908 19.5908 k = 0.5000 0.2887 0.1436 ( 2100 PWs) bands (ev): -41.6160 -41.6160 -18.4275 -18.4275 -17.8399 -17.8399 -17.6511 -17.6511 5.8998 5.8998 6.1799 6.1799 11.6125 11.6125 12.0601 12.0601 12.9191 12.9191 17.2976 17.2976 17.4171 17.4171 18.0679 18.0679 19.5448 19.5448 k = 0.5000 0.2887 0.1340 ( 2100 PWs) bands (ev): -41.6163 -41.6163 -18.4266 -18.4266 -17.8380 -17.8380 -17.6507 -17.6507 5.9134 5.9134 6.1426 6.1426 11.6543 11.6543 12.0581 12.0581 12.9355 12.9355 17.2189 17.2189 17.4787 17.4787 18.0634 18.0634 19.4968 19.4968 k = 0.5000 0.2887 0.1245 ( 2098 PWs) bands (ev): -41.6166 -41.6166 -18.4258 -18.4258 -17.8363 -17.8363 -17.6502 -17.6502 5.9264 5.9264 6.1075 6.1075 11.6950 11.6950 12.0563 12.0563 12.9494 12.9494 17.1435 17.1435 17.5445 17.5445 18.0591 18.0591 19.4467 19.4467 k = 0.5000 0.2887 0.1149 ( 2098 PWs) bands (ev): -41.6170 -41.6170 -18.4250 -18.4250 -17.8347 -17.8347 -17.6498 -17.6498 5.9387 5.9387 6.0748 6.0748 11.7341 11.7341 12.0545 12.0545 12.9611 12.9611 17.0720 17.0720 17.6139 17.6139 18.0551 18.0551 19.3944 19.3944 k = 0.5000 0.2887 0.1053 ( 2100 PWs) bands (ev): -41.6173 -41.6173 -18.4244 -18.4244 -17.8331 -17.8331 -17.6494 -17.6494 5.9502 5.9502 6.0444 6.0444 11.7715 11.7715 12.0528 12.0528 12.9708 12.9708 17.0047 17.0047 17.6866 17.6866 18.0514 18.0514 19.3398 19.3398 k = 0.5000 0.2887 0.0957 ( 2100 PWs) bands (ev): -41.6175 -41.6175 -18.4237 -18.4237 -17.8317 -17.8317 -17.6489 -17.6489 5.9608 5.9608 6.0166 6.0166 11.8069 11.8069 12.0513 12.0513 12.9788 12.9788 16.9419 16.9419 17.7619 17.7619 18.0479 18.0479 19.2830 19.2830 k = 0.5000 0.2887 0.0862 ( 2100 PWs) bands (ev): -41.6178 -41.6178 -18.4232 -18.4232 -17.8305 -17.8305 -17.6485 -17.6485 5.9704 5.9704 5.9915 5.9915 11.8401 11.8401 12.0499 12.0499 12.9853 12.9853 16.8839 16.8839 17.8394 17.8394 18.0449 18.0449 19.2238 19.2238 k = 0.5000 0.2887 0.0766 ( 2096 PWs) bands (ev): -41.6180 -41.6180 -18.4227 -18.4227 -17.8293 -17.8293 -17.6481 -17.6481 5.9674 5.9674 5.9806 5.9806 11.8706 11.8706 12.0486 12.0486 12.9905 12.9905 16.8310 16.8310 17.9186 17.9186 18.0422 18.0422 19.1623 19.1623 k = 0.5000 0.2887 0.0670 ( 2102 PWs) bands (ev): -41.6182 -41.6182 -18.4222 -18.4222 -17.8283 -17.8283 -17.6478 -17.6478 5.9477 5.9477 5.9880 5.9880 11.8983 11.8983 12.0474 12.0474 12.9946 12.9946 16.7834 16.7834 17.9978 17.9978 18.0411 18.0411 19.0985 19.0985 k = 0.5000 0.2887 0.0574 ( 2102 PWs) bands (ev): -41.6184 -41.6184 -18.4218 -18.4218 -17.8274 -17.8274 -17.6474 -17.6474 5.9301 5.9301 5.9949 5.9949 11.9230 11.9230 12.0464 12.0464 12.9977 12.9977 16.7416 16.7416 18.0348 18.0348 18.0834 18.0834 19.0325 19.0325 k = 0.5000 0.2887 0.0479 ( 2102 PWs) bands (ev): -41.6186 -41.6186 -18.4215 -18.4215 -17.8267 -17.8267 -17.6471 -17.6471 5.9152 5.9152 6.0009 6.0009 11.9443 11.9443 12.0455 12.0455 13.0002 13.0002 16.7057 16.7057 18.0341 18.0341 18.1640 18.1640 18.9645 18.9645 k = 0.5000 0.2887 0.0383 ( 2102 PWs) bands (ev): -41.6187 -41.6187 -18.4212 -18.4212 -17.8261 -17.8261 -17.6469 -17.6469 5.9029 5.9029 6.0058 6.0058 11.9620 11.9620 12.0448 12.0448 13.0019 13.0019 16.6760 16.6760 18.0327 18.0327 18.2451 18.2451 18.8948 18.8948 k = 0.5000 0.2887 0.0287 ( 2102 PWs) bands (ev): -41.6188 -41.6188 -18.4210 -18.4210 -17.8256 -17.8256 -17.6467 -17.6467 5.8933 5.8933 6.0097 6.0097 11.9761 11.9761 12.0442 12.0442 13.0032 13.0032 16.6527 16.6527 18.0316 18.0316 18.3252 18.3252 18.8240 18.8240 k = 0.5000 0.2887 0.0191 ( 2106 PWs) bands (ev): -41.6189 -41.6189 -18.4209 -18.4209 -17.8252 -17.8252 -17.6466 -17.6466 5.8865 5.8865 6.0124 6.0124 11.9862 11.9862 12.0438 12.0438 13.0041 13.0041 16.6359 16.6359 18.0308 18.0308 18.4023 18.4023 18.7537 18.7537 k = 0.5000 0.2887 0.0096 ( 2102 PWs) bands (ev): -41.6189 -41.6189 -18.4208 -18.4208 -17.8250 -17.8250 -17.6465 -17.6465 5.8824 5.8824 6.0141 6.0141 11.9923 11.9923 12.0436 12.0436 13.0045 13.0045 16.6258 16.6258 18.0303 18.0303 18.4709 18.4709 18.6892 18.6892 k = 0.5000 0.2887-0.0000 ( 2106 PWs) bands (ev): -41.6189 -41.6189 -18.4208 -18.4208 -17.8250 -17.8250 -17.6464 -17.6464 5.8810 5.8810 6.0146 6.0146 11.9944 11.9944 12.0435 12.0435 13.0047 13.0047 16.6224 16.6224 18.0301 18.0301 18.5062 18.5062 18.6554 18.6554 k = 0.3333 0.5774-0.0000 ( 2094 PWs) bands (ev): -41.6121 -41.6121 -18.4151 -18.4151 -17.7882 -17.7882 -17.7453 -17.7453 6.9207 6.9207 6.9457 6.9457 7.9097 7.9097 13.4060 13.4060 13.4143 13.4143 16.6350 16.6350 16.6658 16.6658 17.2773 17.2773 22.2120 22.2120 k = 0.3333 0.5774 0.0096 ( 2097 PWs) bands (ev): -41.6120 -41.6120 -18.4152 -18.4152 -17.7882 -17.7882 -17.7455 -17.7455 6.9205 6.9205 6.9454 6.9454 7.9111 7.9111 13.4036 13.4036 13.4120 13.4120 16.6384 16.6384 16.6692 16.6692 17.2779 17.2779 22.2089 22.2089 k = 0.3333 0.5774 0.0191 ( 2091 PWs) bands (ev): -41.6120 -41.6120 -18.4153 -18.4153 -17.7881 -17.7881 -17.7458 -17.7458 6.9198 6.9198 6.9447 6.9447 7.9154 7.9154 13.3965 13.3965 13.4049 13.4049 16.6485 16.6485 16.6792 16.6792 17.2797 17.2797 22.1995 22.1995 k = 0.3333 0.5774 0.0287 ( 2091 PWs) bands (ev): -41.6119 -41.6119 -18.4154 -18.4154 -17.7880 -17.7880 -17.7464 -17.7464 6.9187 6.9187 6.9434 6.9434 7.9226 7.9226 13.3848 13.3848 13.3932 13.3932 16.6652 16.6652 16.6957 16.6957 17.2826 17.2826 22.1841 22.1841 k = 0.3333 0.5774 0.0383 ( 2097 PWs) bands (ev): -41.6118 -41.6118 -18.4156 -18.4156 -17.7877 -17.7877 -17.7472 -17.7472 6.9171 6.9171 6.9417 6.9417 7.9325 7.9325 13.3687 13.3687 13.3771 13.3771 16.6883 16.6883 16.7186 16.7186 17.2867 17.2867 22.1628 22.1628 k = 0.3333 0.5774 0.0479 ( 2097 PWs) bands (ev): -41.6117 -41.6117 -18.4159 -18.4159 -17.7875 -17.7875 -17.7483 -17.7483 6.9152 6.9152 6.9395 6.9395 7.9453 7.9453 13.3484 13.3484 13.3568 13.3568 16.7175 16.7175 16.7475 16.7475 17.2919 17.2919 22.1360 22.1360 k = 0.3333 0.5774 0.0574 ( 2097 PWs) bands (ev): -41.6116 -41.6116 -18.4162 -18.4162 -17.7872 -17.7872 -17.7496 -17.7496 6.9128 6.9128 6.9369 6.9369 7.9608 7.9608 13.3242 13.3242 13.3327 13.3327 16.7525 16.7525 16.7822 16.7822 17.2982 17.2982 22.1041 22.1041 k = 0.3333 0.5774 0.0670 ( 2097 PWs) bands (ev): -41.6114 -41.6114 -18.4166 -18.4166 -17.7868 -17.7868 -17.7511 -17.7511 6.9099 6.9099 6.9337 6.9337 7.9791 7.9791 13.2965 13.2965 13.3050 13.3050 16.7930 16.7930 16.8222 16.8222 17.3057 17.3057 22.0674 22.0674 k = 0.3333 0.5774 0.0766 ( 2100 PWs) bands (ev): -41.6112 -41.6112 -18.4171 -18.4171 -17.7863 -17.7863 -17.7528 -17.7528 6.9067 6.9067 6.9301 6.9301 8.0000 8.0000 13.2656 13.2656 13.2743 13.2743 16.8385 16.8385 16.8673 16.8673 17.3142 17.3142 22.0264 22.0264 k = 0.3333 0.5774 0.0862 ( 2094 PWs) bands (ev): -41.6109 -41.6109 -18.4176 -18.4176 -17.7858 -17.7858 -17.7547 -17.7547 6.9030 6.9030 6.9261 6.9261 8.0235 8.0235 13.2319 13.2319 13.2407 13.2407 16.8886 16.8886 16.9170 16.9170 17.3237 17.3237 21.9816 21.9816 k = 0.3333 0.5774 0.0957 ( 2094 PWs) bands (ev): -41.6107 -41.6107 -18.4182 -18.4182 -17.7853 -17.7853 -17.7568 -17.7568 6.8990 6.8990 6.9216 6.9216 8.0496 8.0496 13.1958 13.1958 13.2047 13.2047 16.9430 16.9430 16.9708 16.9708 17.3343 17.3343 21.9334 21.9334 k = 0.3333 0.5774 0.1053 ( 2094 PWs) bands (ev): -41.6104 -41.6104 -18.4189 -18.4189 -17.7847 -17.7847 -17.7590 -17.7590 6.8946 6.8946 6.9167 6.9167 8.0782 8.0782 13.1576 13.1576 13.1668 13.1668 17.0012 17.0012 17.0285 17.0285 17.3458 17.3458 21.8822 21.8822 k = 0.3333 0.5774 0.1149 ( 2091 PWs) bands (ev): -41.6101 -41.6101 -18.4196 -18.4196 -17.7841 -17.7841 -17.7615 -17.7615 6.8898 6.8898 6.9114 6.9114 8.1092 8.1092 13.1177 13.1177 13.1271 13.1271 17.0628 17.0628 17.0895 17.0895 17.3582 17.3582 21.8285 21.8285 k = 0.3333 0.5774 0.1245 ( 2091 PWs) bands (ev): -41.6098 -41.6098 -18.4204 -18.4204 -17.7834 -17.7834 -17.7641 -17.7641 6.8847 6.8847 6.9058 6.9058 8.1425 8.1425 13.0764 13.0764 13.0861 13.0861 17.1274 17.1274 17.1534 17.1534 17.3715 17.3715 21.7726 21.7726 k = 0.3333 0.5774 0.1340 ( 2091 PWs) bands (ev): -41.6095 -41.6095 -18.4212 -18.4212 -17.7827 -17.7827 -17.7668 -17.7668 6.8792 6.8792 6.8997 6.8997 8.1780 8.1780 13.0341 13.0341 13.0441 13.0441 17.1946 17.1946 17.2199 17.2199 17.3856 17.3856 21.7148 21.7148 k = 0.3333 0.5774 0.1436 ( 2085 PWs) bands (ev): -41.6091 -41.6091 -18.4221 -18.4221 -17.7819 -17.7819 -17.7696 -17.7696 6.8734 6.8734 6.8933 6.8933 8.2157 8.2157 12.9910 12.9910 13.0014 13.0014 17.2642 17.2642 17.2886 17.2886 17.4006 17.4006 21.6556 21.6556 k = 0.3333 0.5774 0.1532 ( 2097 PWs) bands (ev): -41.6087 -41.6087 -18.4231 -18.4231 -17.7811 -17.7811 -17.7726 -17.7726 6.8674 6.8674 6.8866 6.8866 8.2553 8.2553 12.9474 12.9474 12.9582 12.9582 17.3357 17.3357 17.3585 17.3585 17.4169 17.4169 21.5951 21.5951 k = 0.3333 0.5774 0.1628 ( 2103 PWs) bands (ev): -41.6084 -41.6084 -18.4241 -18.4241 -17.7803 -17.7803 -17.7756 -17.7756 6.8610 6.8610 6.8796 6.8796 8.2968 8.2968 12.9036 12.9036 12.9149 12.9149 17.4089 17.4089 17.4214 17.4214 17.4426 17.4426 21.5338 21.5338 k = 0.3333 0.5774 0.1723 ( 2103 PWs) bands (ev): -41.6080 -41.6080 -18.4251 -18.4251 -17.7795 -17.7795 -17.7787 -17.7787 6.8544 6.8544 6.8723 6.8723 8.3401 8.3401 12.8598 12.8598 12.8716 12.8716 17.4455 17.4455 17.4834 17.4834 17.5088 17.5088 21.4717 21.4717 k = 0.3333 0.5774 0.1819 ( 2103 PWs) bands (ev): -41.6076 -41.6076 -18.4263 -18.4263 -17.7819 -17.7819 -17.7786 -17.7786 6.8476 6.8476 6.8648 6.8648 8.3850 8.3850 12.8163 12.8163 12.8285 12.8285 17.4633 17.4633 17.5591 17.5591 17.5830 17.5830 21.4091 21.4091 k = 0.3333 0.5774 0.1915 ( 2103 PWs) bands (ev): -41.6071 -41.6071 -18.4274 -18.4274 -17.7852 -17.7852 -17.7777 -17.7777 6.8406 6.8406 6.8571 6.8571 8.4314 8.4314 12.7731 12.7731 12.7859 12.7859 17.4808 17.4808 17.6356 17.6356 17.6585 17.6585 21.3463 21.3463 k = 0.3333 0.5774 0.2011 ( 2097 PWs) bands (ev): -41.6067 -41.6067 -18.4287 -18.4287 -17.7884 -17.7884 -17.7768 -17.7768 6.8334 6.8334 6.8491 6.8491 8.4791 8.4791 12.7305 12.7305 12.7438 12.7438 17.4984 17.4984 17.7127 17.7127 17.7348 17.7348 21.2834 21.2834 k = 0.3333 0.5774 0.2106 ( 2097 PWs) bands (ev): -41.6063 -41.6063 -18.4299 -18.4299 -17.7917 -17.7917 -17.7758 -17.7758 6.8261 6.8261 6.8410 6.8410 8.5279 8.5279 12.6886 12.6886 12.7025 12.7025 17.5162 17.5162 17.7902 17.7902 17.8116 17.8116 21.2204 21.2204 k = 0.3333 0.5774 0.2202 ( 2097 PWs) bands (ev): -41.6058 -41.6058 -18.4312 -18.4312 -17.7950 -17.7950 -17.7749 -17.7749 6.8186 6.8186 6.8328 6.8328 8.5777 8.5777 12.6475 12.6475 12.6620 12.6620 17.5340 17.5340 17.8679 17.8679 17.8886 17.8886 21.1576 21.1576 k = 0.3333 0.5774 0.2298 ( 2097 PWs) bands (ev): -41.6054 -41.6054 -18.4326 -18.4326 -17.7983 -17.7983 -17.7740 -17.7740 6.8111 6.8111 6.8245 6.8245 8.6284 8.6284 12.6075 12.6075 12.6226 12.6226 17.5517 17.5517 17.9457 17.9457 17.9656 17.9656 21.0951 21.0951 k = 0.3333 0.5774 0.2394 ( 2097 PWs) bands (ev): -41.6050 -41.6050 -18.4339 -18.4339 -17.8015 -17.8015 -17.7730 -17.7730 6.8035 6.8035 6.8161 6.8161 8.6796 8.6796 12.5685 12.5685 12.5842 12.5842 17.5694 17.5694 18.0233 18.0233 18.0424 18.0424 21.0330 21.0330 k = 0.3333 0.5774 0.2489 ( 2097 PWs) bands (ev): -41.6045 -41.6045 -18.4353 -18.4353 -17.8047 -17.8047 -17.7721 -17.7721 6.7959 6.7959 6.8077 6.8077 8.7313 8.7313 12.5307 12.5307 12.5471 12.5471 17.5868 17.5868 18.1007 18.1007 18.1190 18.1190 20.9712 20.9712 k = 0.3333 0.5774 0.2585 ( 2103 PWs) bands (ev): -41.6041 -41.6041 -18.4367 -18.4367 -17.8079 -17.8079 -17.7711 -17.7711 6.7882 6.7882 6.7993 6.7993 8.7832 8.7832 12.4941 12.4941 12.5112 12.5112 17.6039 17.6039 18.1776 18.1776 18.1951 18.1951 20.9100 20.9100 k = 0.3333 0.5774 0.2681 ( 2103 PWs) bands (ev): -41.6036 -41.6036 -18.4382 -18.4382 -17.8110 -17.8110 -17.7702 -17.7702 6.7807 6.7807 6.7910 6.7910 8.8351 8.8351 12.4589 12.4589 12.4766 12.4766 17.6206 17.6206 18.2539 18.2539 18.2707 18.2707 20.8493 20.8493 k = 0.3333 0.5774 0.2777 ( 2097 PWs) bands (ev): -41.6032 -41.6032 -18.4396 -18.4396 -17.8140 -17.8140 -17.7693 -17.7693 6.7732 6.7732 6.7827 6.7827 8.8868 8.8868 12.4251 12.4251 12.4434 12.4434 17.6369 17.6369 18.3296 18.3296 18.3455 18.3455 20.7892 20.7892 k = 0.3333 0.5774 0.2872 ( 2091 PWs) bands (ev): -41.6028 -41.6028 -18.4410 -18.4410 -17.8169 -17.8169 -17.7684 -17.7684 6.7658 6.7658 6.7746 6.7746 8.9381 8.9381 12.3928 12.3928 12.4117 12.4117 17.6525 17.6525 18.4045 18.4045 18.4196 18.4196 20.7297 20.7297 k = 0.3333 0.5774 0.2968 ( 2091 PWs) bands (ev): -41.6024 -41.6024 -18.4424 -18.4424 -17.8198 -17.8198 -17.7675 -17.7675 6.7585 6.7585 6.7666 6.7666 8.9887 8.9887 12.3619 12.3619 12.3814 12.3814 17.6676 17.6676 18.4785 18.4785 18.4928 18.4928 20.6709 20.6709 k = 0.3333 0.5774 0.3064 ( 2097 PWs) bands (ev): -41.6020 -41.6020 -18.4438 -18.4438 -17.8225 -17.8225 -17.7666 -17.7666 6.7514 6.7514 6.7588 6.7588 9.0384 9.0384 12.3326 12.3326 12.3527 12.3527 17.6819 17.6819 18.5516 18.5516 18.5650 18.5650 20.6127 20.6127 k = 0.3333 0.5774 0.3160 ( 2091 PWs) bands (ev): -41.6016 -41.6016 -18.4452 -18.4452 -17.8251 -17.8251 -17.7658 -17.7658 6.7445 6.7445 6.7512 6.7512 9.0870 9.0870 12.3048 12.3048 12.3255 12.3255 17.6954 17.6954 18.6237 18.6237 18.6362 18.6362 20.5552 20.5552 k = 0.3333 0.5774 0.3255 ( 2088 PWs) bands (ev): -41.6012 -41.6012 -18.4466 -18.4466 -17.8276 -17.8276 -17.7650 -17.7650 6.7379 6.7379 6.7439 6.7439 9.1343 9.1343 12.2787 12.2787 12.2999 12.2999 17.7081 17.7081 18.6948 18.6948 18.7062 18.7062 20.4983 20.4983 k = 0.3333 0.5774 0.3351 ( 2088 PWs) bands (ev): -41.6009 -41.6009 -18.4479 -18.4479 -17.8299 -17.8299 -17.7643 -17.7643 6.7315 6.7315 6.7369 6.7369 9.1799 9.1799 12.2541 12.2541 12.2759 12.2759 17.7199 17.7199 18.7647 18.7647 18.7751 18.7751 20.4421 20.4421 k = 0.3333 0.5774 0.3447 ( 2082 PWs) bands (ev): -41.6005 -41.6005 -18.4491 -18.4491 -17.8321 -17.8321 -17.7635 -17.7635 6.7254 6.7254 6.7302 6.7302 9.2237 9.2237 12.2312 12.2312 12.2536 12.2536 17.7308 17.7308 18.8334 18.8334 18.8428 18.8428 20.3865 20.3865 k = 0.3333 0.5774 0.3543 ( 2082 PWs) bands (ev): -41.6002 -41.6002 -18.4503 -18.4503 -17.8342 -17.8342 -17.7628 -17.7628 6.7196 6.7196 6.7238 6.7238 9.2654 9.2654 12.2100 12.2100 12.2328 12.2328 17.7408 17.7408 18.9009 18.9009 18.9092 18.9092 20.3316 20.3316 k = 0.3333 0.5774 0.3638 ( 2082 PWs) bands (ev): -41.5999 -41.5999 -18.4515 -18.4515 -17.8361 -17.8361 -17.7622 -17.7622 6.7142 6.7142 6.7179 6.7179 9.3048 9.3048 12.1904 12.1904 12.2137 12.2137 17.7499 17.7499 18.9672 18.9672 18.9743 18.9743 20.2772 20.2772 k = 0.3333 0.5774 0.3734 ( 2082 PWs) bands (ev): -41.5997 -41.5997 -18.4526 -18.4526 -17.8379 -17.8379 -17.7616 -17.7616 6.7091 6.7091 6.7124 6.7124 9.3416 9.3416 12.1726 12.1726 12.1963 12.1963 17.7580 17.7580 19.0322 19.0322 19.0381 19.0381 20.2235 20.2235 k = 0.3333 0.5774 0.3830 ( 2082 PWs) bands (ev): -41.5994 -41.5994 -18.4535 -18.4535 -17.8395 -17.8395 -17.7611 -17.7611 6.7045 6.7045 6.7073 6.7073 9.3757 9.3757 12.1564 12.1564 12.1805 12.1805 17.7652 17.7652 19.0959 19.0959 19.1004 19.1004 20.1697 20.1697 k = 0.3333 0.5774 0.3926 ( 2082 PWs) bands (ev): -41.5992 -41.5992 -18.4545 -18.4545 -17.8410 -17.8410 -17.7606 -17.7606 6.7003 6.7003 6.7027 6.7027 9.4068 9.4068 12.1419 12.1419 12.1663 12.1663 17.7715 17.7715 19.1582 19.1582 19.1612 19.1612 20.1158 20.1158 k = 0.3333 0.5774 0.4021 ( 2088 PWs) bands (ev): -41.5990 -41.5990 -18.4553 -18.4553 -17.8422 -17.8422 -17.7601 -17.7601 6.6965 6.6965 6.6985 6.6985 9.4348 9.4348 12.1291 12.1291 12.1539 12.1539 17.7769 17.7769 19.2191 19.2191 19.2203 19.2203 20.0625 20.0625 k = 0.3333 0.5774 0.4117 ( 2082 PWs) bands (ev): -41.5988 -41.5988 -18.4560 -18.4560 -17.8434 -17.8434 -17.7598 -17.7598 6.6932 6.6932 6.6949 6.6949 9.4594 9.4594 12.1180 12.1180 12.1430 12.1430 17.7815 17.7815 19.2775 19.2775 19.2782 19.2782 20.0099 20.0099 k = 0.3333 0.5774 0.4213 ( 2082 PWs) bands (ev): -41.5986 -41.5986 -18.4566 -18.4566 -17.8443 -17.8443 -17.7594 -17.7594 6.6904 6.6904 6.6918 6.6918 9.4805 9.4805 12.1086 12.1086 12.1339 12.1339 17.7853 17.7853 19.3325 19.3325 19.3354 19.3354 19.9583 19.9583 k = 0.3333 0.5774 0.4309 ( 2076 PWs) bands (ev): -41.5985 -41.5985 -18.4571 -18.4571 -17.8451 -17.8451 -17.7592 -17.7592 6.6880 6.6880 6.6893 6.6893 9.4980 9.4980 12.1009 12.1009 12.1264 12.1264 17.7883 17.7883 19.3844 19.3844 19.3901 19.3901 19.9082 19.9082 k = 0.3333 0.5774 0.4404 ( 2082 PWs) bands (ev): -41.5984 -41.5984 -18.4575 -18.4575 -17.8457 -17.8457 -17.7589 -17.7589 6.6862 6.6862 6.6873 6.6873 9.5117 9.5117 12.0950 12.0950 12.1206 12.1206 17.7906 17.7906 19.4320 19.4320 19.4411 19.4411 19.8608 19.8608 k = 0.3333 0.5774 0.4500 ( 2076 PWs) bands (ev): -41.5983 -41.5983 -18.4578 -18.4578 -17.8461 -17.8461 -17.7588 -17.7588 6.6849 6.6849 6.6858 6.6858 9.5215 9.5215 12.0907 12.0907 12.1164 12.1164 17.7923 17.7923 19.4727 19.4727 19.4860 19.4860 19.8186 19.8186 k = 0.3333 0.5774 0.4596 ( 2082 PWs) bands (ev): -41.5983 -41.5983 -18.4580 -18.4580 -17.8464 -17.8464 -17.7587 -17.7587 6.6841 6.6841 6.6850 6.6850 9.5275 9.5275 12.0881 12.0881 12.1139 12.1139 17.7932 17.7932 19.5017 19.5017 19.5194 19.5194 19.7867 19.7867 k = 0.3333 0.5774 0.4691 ( 2082 PWs) bands (ev): -41.5983 -41.5983 -18.4580 -18.4580 -17.8465 -17.8465 -17.7587 -17.7587 6.6839 6.6839 6.6847 6.6847 9.5295 9.5295 12.0873 12.0873 12.1131 12.1131 17.7936 17.7936 19.5126 19.5126 19.5325 19.5325 19.7742 19.7742 Writing output data file TiB2.save init_run : 0.05s CPU 0.18s WALL ( 1 calls) electrons : 58.97s CPU 60.50s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 58.97s CPU 60.49s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 486 calls) cegterg : 55.09s CPU 56.33s WALL ( 513 calls) Called by sum_band: Called by *egterg: h_psi : 28.37s CPU 29.01s WALL ( 8869 calls) s_psi : 0.52s CPU 0.55s WALL ( 8869 calls) g_psi : 0.09s CPU 0.11s WALL ( 7870 calls) cdiaghg : 23.60s CPU 24.18s WALL ( 8356 calls) cegterg:over : 1.88s CPU 2.07s WALL ( 7870 calls) cegterg:upda : 1.52s CPU 1.50s WALL ( 7870 calls) cegterg:last : 0.96s CPU 0.94s WALL ( 1966 calls) cdiaghg:chol : 1.12s CPU 1.22s WALL ( 8356 calls) cdiaghg:inve : 0.51s CPU 0.45s WALL ( 8356 calls) cdiaghg:para : 1.56s CPU 1.55s WALL ( 16712 calls) Called by h_psi: h_psi:vloc : 25.54s CPU 26.26s WALL ( 8869 calls) h_psi:vnl : 2.79s CPU 2.71s WALL ( 8869 calls) add_vuspsi : 1.40s CPU 1.40s WALL ( 8869 calls) General routines calbec : 1.36s CPU 1.29s WALL ( 8869 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 24.14s CPU 24.90s WALL ( 622856 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.11s WALL ( 972 calls) Parallel routines fft_scatter : 11.80s CPU 12.13s WALL ( 622879 calls) PWSCF : 1m 7.72s CPU 1m20.16s WALL This run was terminated on: 13:46:12 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=