Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:17:34 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: ./Ti.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 18 18 5 634 634 101 Max 19 19 6 645 645 108 Sum 673 673 199 23031 23031 3729 bravais-lattice index = 14 lattice parameter (alat) = 5.5747 a.u. unit-cell volume = 238.3271 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 1 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.574692 celldm(2)= 1.000000 celldm(3)= 1.588475 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 1.588475 ) 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 0.629535 ) PseudoPot. # 1 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 Ti 12.00 47.86700 Ti( 1.00) 24 Sym. Ops., with inversion, found (12 have fractional translation) 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 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7942373 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.7942373 ) 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 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7942373 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7942373 ) 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 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.7942373 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.7942373 ) 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 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.7942373 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7942373 ) 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 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.7942373 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.7942373 ) 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 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7942373 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7942373 ) 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= 449 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022272 k( 2) = ( 0.0080645 0.0046561 -0.0000000), wk = 0.0022272 k( 3) = ( 0.0161290 0.0093121 -0.0000000), wk = 0.0022272 k( 4) = ( 0.0241936 0.0139682 -0.0000000), wk = 0.0022272 k( 5) = ( 0.0322581 0.0186242 -0.0000000), wk = 0.0022272 k( 6) = ( 0.0403226 0.0232803 -0.0000000), wk = 0.0022272 k( 7) = ( 0.0483871 0.0279363 -0.0000000), wk = 0.0022272 k( 8) = ( 0.0564516 0.0325924 -0.0000000), wk = 0.0022272 k( 9) = ( 0.0645161 0.0372484 -0.0000000), wk = 0.0022272 k( 10) = ( 0.0725806 0.0419045 -0.0000000), wk = 0.0022272 k( 11) = ( 0.0806452 0.0465605 -0.0000000), wk = 0.0022272 k( 12) = ( 0.0887097 0.0512166 -0.0000000), wk = 0.0022272 k( 13) = ( 0.0967742 0.0558726 -0.0000000), wk = 0.0022272 k( 14) = ( 0.1048387 0.0605287 -0.0000000), wk = 0.0022272 k( 15) = ( 0.1129032 0.0651847 -0.0000000), wk = 0.0022272 k( 16) = ( 0.1209677 0.0698408 -0.0000000), wk = 0.0022272 k( 17) = ( 0.1290323 0.0744968 -0.0000000), wk = 0.0022272 k( 18) = ( 0.1370968 0.0791529 -0.0000000), wk = 0.0022272 k( 19) = ( 0.1451613 0.0838089 -0.0000000), wk = 0.0022272 k( 20) = ( 0.1532258 0.0884650 -0.0000000), wk = 0.0022272 k( 21) = ( 0.1612903 0.0931210 -0.0000000), wk = 0.0022272 k( 22) = ( 0.1693548 0.0977771 -0.0000000), wk = 0.0022272 k( 23) = ( 0.1774194 0.1024331 -0.0000000), wk = 0.0022272 k( 24) = ( 0.1854839 0.1070892 -0.0000000), wk = 0.0022272 k( 25) = ( 0.1935484 0.1117452 -0.0000000), wk = 0.0022272 k( 26) = ( 0.2016129 0.1164013 -0.0000000), wk = 0.0022272 k( 27) = ( 0.2096774 0.1210573 -0.0000000), wk = 0.0022272 k( 28) = ( 0.2177419 0.1257134 -0.0000000), wk = 0.0022272 k( 29) = ( 0.2258064 0.1303694 -0.0000000), wk = 0.0022272 k( 30) = ( 0.2338710 0.1350255 -0.0000000), wk = 0.0022272 k( 31) = ( 0.2419355 0.1396815 -0.0000000), wk = 0.0022272 k( 32) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0022272 k( 33) = ( 0.2580645 0.1489936 -0.0000000), wk = 0.0022272 k( 34) = ( 0.2661290 0.1536497 -0.0000000), wk = 0.0022272 k( 35) = ( 0.2741936 0.1583057 -0.0000000), wk = 0.0022272 k( 36) = ( 0.2822581 0.1629618 -0.0000000), wk = 0.0022272 k( 37) = ( 0.2903226 0.1676178 -0.0000000), wk = 0.0022272 k( 38) = ( 0.2983871 0.1722739 -0.0000000), wk = 0.0022272 k( 39) = ( 0.3064516 0.1769299 -0.0000000), wk = 0.0022272 k( 40) = ( 0.3145161 0.1815860 -0.0000000), wk = 0.0022272 k( 41) = ( 0.3225807 0.1862420 -0.0000000), wk = 0.0022272 k( 42) = ( 0.3306452 0.1908981 -0.0000000), wk = 0.0022272 k( 43) = ( 0.3387097 0.1955541 -0.0000000), wk = 0.0022272 k( 44) = ( 0.3467742 0.2002102 -0.0000000), wk = 0.0022272 k( 45) = ( 0.3548387 0.2048662 -0.0000000), wk = 0.0022272 k( 46) = ( 0.3629032 0.2095223 -0.0000000), wk = 0.0022272 k( 47) = ( 0.3709677 0.2141783 -0.0000000), wk = 0.0022272 k( 48) = ( 0.3790323 0.2188344 -0.0000000), wk = 0.0022272 k( 49) = ( 0.3870968 0.2234904 -0.0000000), wk = 0.0022272 k( 50) = ( 0.3951613 0.2281465 -0.0000000), wk = 0.0022272 k( 51) = ( 0.4032258 0.2328025 -0.0000000), wk = 0.0022272 k( 52) = ( 0.4112903 0.2374586 -0.0000000), wk = 0.0022272 k( 53) = ( 0.4193548 0.2421146 -0.0000000), wk = 0.0022272 k( 54) = ( 0.4274193 0.2467707 -0.0000000), wk = 0.0022272 k( 55) = ( 0.4354839 0.2514267 -0.0000000), wk = 0.0022272 k( 56) = ( 0.4435484 0.2560828 -0.0000000), wk = 0.0022272 k( 57) = ( 0.4516129 0.2607388 -0.0000000), wk = 0.0022272 k( 58) = ( 0.4596774 0.2653949 -0.0000000), wk = 0.0022272 k( 59) = ( 0.4677419 0.2700509 -0.0000000), wk = 0.0022272 k( 60) = ( 0.4758064 0.2747070 -0.0000000), wk = 0.0022272 k( 61) = ( 0.4838710 0.2793630 -0.0000000), wk = 0.0022272 k( 62) = ( 0.4919355 0.2840191 -0.0000000), wk = 0.0022272 k( 63) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0022272 k( 64) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0022272 k( 65) = ( 0.4953704 0.2966939 -0.0000000), wk = 0.0022272 k( 66) = ( 0.4907407 0.3047126 -0.0000000), wk = 0.0022272 k( 67) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0022272 k( 68) = ( 0.4814815 0.3207502 -0.0000000), wk = 0.0022272 k( 69) = ( 0.4768519 0.3287689 -0.0000000), wk = 0.0022272 k( 70) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0022272 k( 71) = ( 0.4675926 0.3448064 -0.0000000), wk = 0.0022272 k( 72) = ( 0.4629630 0.3528252 -0.0000000), wk = 0.0022272 k( 73) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0022272 k( 74) = ( 0.4537037 0.3688627 -0.0000000), wk = 0.0022272 k( 75) = ( 0.4490741 0.3768814 -0.0000000), wk = 0.0022272 k( 76) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0022272 k( 77) = ( 0.4398148 0.3929189 -0.0000000), wk = 0.0022272 k( 78) = ( 0.4351852 0.4009377 -0.0000000), wk = 0.0022272 k( 79) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0022272 k( 80) = ( 0.4259259 0.4169752 -0.0000000), wk = 0.0022272 k( 81) = ( 0.4212963 0.4249940 -0.0000000), wk = 0.0022272 k( 82) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0022272 k( 83) = ( 0.4120370 0.4410315 -0.0000000), wk = 0.0022272 k( 84) = ( 0.4074074 0.4490502 -0.0000000), wk = 0.0022272 k( 85) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0022272 k( 86) = ( 0.3981481 0.4650877 -0.0000000), wk = 0.0022272 k( 87) = ( 0.3935185 0.4731065 -0.0000000), wk = 0.0022272 k( 88) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0022272 k( 89) = ( 0.3842593 0.4891440 -0.0000000), wk = 0.0022272 k( 90) = ( 0.3796296 0.4971627 -0.0000000), wk = 0.0022272 k( 91) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0022272 k( 92) = ( 0.3703704 0.5132002 -0.0000000), wk = 0.0022272 k( 93) = ( 0.3657407 0.5212190 -0.0000000), wk = 0.0022272 k( 94) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0022272 k( 95) = ( 0.3564815 0.5372565 -0.0000000), wk = 0.0022272 k( 96) = ( 0.3518519 0.5452753 -0.0000000), wk = 0.0022272 k( 97) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0022272 k( 98) = ( 0.3425926 0.5613128 -0.0000000), wk = 0.0022272 k( 99) = ( 0.3379630 0.5693315 -0.0000000), wk = 0.0022272 k( 100) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0022272 k( 101) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0022272 k( 102) = ( 0.3286385 0.5692186 -0.0000000), wk = 0.0022272 k( 103) = ( 0.3239437 0.5610869 -0.0000000), wk = 0.0022272 k( 104) = ( 0.3192488 0.5529552 -0.0000000), wk = 0.0022272 k( 105) = ( 0.3145540 0.5448235 -0.0000000), wk = 0.0022272 k( 106) = ( 0.3098592 0.5366918 -0.0000000), wk = 0.0022272 k( 107) = ( 0.3051643 0.5285601 -0.0000000), wk = 0.0022272 k( 108) = ( 0.3004695 0.5204284 -0.0000000), wk = 0.0022272 k( 109) = ( 0.2957746 0.5122967 -0.0000000), wk = 0.0022272 k( 110) = ( 0.2910798 0.5041650 -0.0000000), wk = 0.0022272 k( 111) = ( 0.2863850 0.4960333 -0.0000000), wk = 0.0022272 k( 112) = ( 0.2816901 0.4879016 -0.0000000), wk = 0.0022272 k( 113) = ( 0.2769953 0.4797700 -0.0000000), wk = 0.0022272 k( 114) = ( 0.2723005 0.4716382 -0.0000000), wk = 0.0022272 k( 115) = ( 0.2676056 0.4635065 -0.0000000), wk = 0.0022272 k( 116) = ( 0.2629108 0.4553749 -0.0000000), wk = 0.0022272 k( 117) = ( 0.2582160 0.4472432 -0.0000000), wk = 0.0022272 k( 118) = ( 0.2535211 0.4391115 -0.0000000), wk = 0.0022272 k( 119) = ( 0.2488263 0.4309798 -0.0000000), wk = 0.0022272 k( 120) = ( 0.2441315 0.4228481 -0.0000000), wk = 0.0022272 k( 121) = ( 0.2394366 0.4147164 -0.0000000), wk = 0.0022272 k( 122) = ( 0.2347418 0.4065847 -0.0000000), wk = 0.0022272 k( 123) = ( 0.2300470 0.3984530 -0.0000000), wk = 0.0022272 k( 124) = ( 0.2253521 0.3903213 -0.0000000), wk = 0.0022272 k( 125) = ( 0.2206573 0.3821896 -0.0000000), wk = 0.0022272 k( 126) = ( 0.2159624 0.3740579 -0.0000000), wk = 0.0022272 k( 127) = ( 0.2112676 0.3659262 -0.0000000), wk = 0.0022272 k( 128) = ( 0.2065728 0.3577945 -0.0000000), wk = 0.0022272 k( 129) = ( 0.2018779 0.3496628 -0.0000000), wk = 0.0022272 k( 130) = ( 0.1971831 0.3415311 -0.0000000), wk = 0.0022272 k( 131) = ( 0.1924883 0.3333994 -0.0000000), wk = 0.0022272 k( 132) = ( 0.1877934 0.3252678 -0.0000000), wk = 0.0022272 k( 133) = ( 0.1830986 0.3171361 -0.0000000), wk = 0.0022272 k( 134) = ( 0.1784038 0.3090044 -0.0000000), wk = 0.0022272 k( 135) = ( 0.1737089 0.3008727 -0.0000000), wk = 0.0022272 k( 136) = ( 0.1690141 0.2927410 -0.0000000), wk = 0.0022272 k( 137) = ( 0.1643193 0.2846093 -0.0000000), wk = 0.0022272 k( 138) = ( 0.1596244 0.2764776 -0.0000000), wk = 0.0022272 k( 139) = ( 0.1549296 0.2683459 -0.0000000), wk = 0.0022272 k( 140) = ( 0.1502347 0.2602142 -0.0000000), wk = 0.0022272 k( 141) = ( 0.1455399 0.2520825 -0.0000000), wk = 0.0022272 k( 142) = ( 0.1408451 0.2439508 -0.0000000), wk = 0.0022272 k( 143) = ( 0.1361502 0.2358191 -0.0000000), wk = 0.0022272 k( 144) = ( 0.1314554 0.2276874 -0.0000000), wk = 0.0022272 k( 145) = ( 0.1267606 0.2195557 -0.0000000), wk = 0.0022272 k( 146) = ( 0.1220657 0.2114240 -0.0000000), wk = 0.0022272 k( 147) = ( 0.1173709 0.2032923 -0.0000000), wk = 0.0022272 k( 148) = ( 0.1126761 0.1951607 -0.0000000), wk = 0.0022272 k( 149) = ( 0.1079812 0.1870290 -0.0000000), wk = 0.0022272 k( 150) = ( 0.1032864 0.1788973 -0.0000000), wk = 0.0022272 k( 151) = ( 0.0985916 0.1707656 -0.0000000), wk = 0.0022272 k( 152) = ( 0.0938967 0.1626339 -0.0000000), wk = 0.0022272 k( 153) = ( 0.0892019 0.1545022 -0.0000000), wk = 0.0022272 k( 154) = ( 0.0845070 0.1463705 -0.0000000), wk = 0.0022272 k( 155) = ( 0.0798122 0.1382388 -0.0000000), wk = 0.0022272 k( 156) = ( 0.0751174 0.1301071 -0.0000000), wk = 0.0022272 k( 157) = ( 0.0704225 0.1219754 -0.0000000), wk = 0.0022272 k( 158) = ( 0.0657277 0.1138437 -0.0000000), wk = 0.0022272 k( 159) = ( 0.0610329 0.1057120 -0.0000000), wk = 0.0022272 k( 160) = ( 0.0563380 0.0975803 -0.0000000), wk = 0.0022272 k( 161) = ( 0.0516432 0.0894486 -0.0000000), wk = 0.0022272 k( 162) = ( 0.0469484 0.0813169 -0.0000000), wk = 0.0022272 k( 163) = ( 0.0422535 0.0731852 -0.0000000), wk = 0.0022272 k( 164) = ( 0.0375587 0.0650536 -0.0000000), wk = 0.0022272 k( 165) = ( 0.0328639 0.0569219 -0.0000000), wk = 0.0022272 k( 166) = ( 0.0281690 0.0487902 -0.0000000), wk = 0.0022272 k( 167) = ( 0.0234742 0.0406585 -0.0000000), wk = 0.0022272 k( 168) = ( 0.0187793 0.0325268 -0.0000000), wk = 0.0022272 k( 169) = ( 0.0140845 0.0243951 -0.0000000), wk = 0.0022272 k( 170) = ( 0.0093897 0.0162634 -0.0000000), wk = 0.0022272 k( 171) = ( 0.0046948 0.0081317 -0.0000000), wk = 0.0022272 k( 172) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022272 k( 173) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022272 k( 174) = ( 0.0000000 0.0000000 0.0092579), wk = 0.0022272 k( 175) = ( 0.0000000 0.0000000 0.0185157), wk = 0.0022272 k( 176) = ( 0.0000000 0.0000000 0.0277736), wk = 0.0022272 k( 177) = ( 0.0000000 0.0000000 0.0370315), wk = 0.0022272 k( 178) = ( 0.0000000 0.0000000 0.0462893), wk = 0.0022272 k( 179) = ( 0.0000000 0.0000000 0.0555472), wk = 0.0022272 k( 180) = ( 0.0000000 0.0000000 0.0648051), wk = 0.0022272 k( 181) = ( 0.0000000 0.0000000 0.0740629), wk = 0.0022272 k( 182) = ( 0.0000000 0.0000000 0.0833208), wk = 0.0022272 k( 183) = ( 0.0000000 0.0000000 0.0925786), wk = 0.0022272 k( 184) = ( 0.0000000 0.0000000 0.1018365), wk = 0.0022272 k( 185) = ( 0.0000000 0.0000000 0.1110944), wk = 0.0022272 k( 186) = ( 0.0000000 0.0000000 0.1203522), wk = 0.0022272 k( 187) = ( 0.0000000 0.0000000 0.1296101), wk = 0.0022272 k( 188) = ( 0.0000000 0.0000000 0.1388680), wk = 0.0022272 k( 189) = ( 0.0000000 0.0000000 0.1481258), wk = 0.0022272 k( 190) = ( 0.0000000 0.0000000 0.1573837), wk = 0.0022272 k( 191) = ( 0.0000000 0.0000000 0.1666416), wk = 0.0022272 k( 192) = ( 0.0000000 0.0000000 0.1758994), wk = 0.0022272 k( 193) = ( 0.0000000 0.0000000 0.1851573), wk = 0.0022272 k( 194) = ( 0.0000000 0.0000000 0.1944152), wk = 0.0022272 k( 195) = ( 0.0000000 0.0000000 0.2036730), wk = 0.0022272 k( 196) = ( 0.0000000 0.0000000 0.2129309), wk = 0.0022272 k( 197) = ( 0.0000000 0.0000000 0.2221887), wk = 0.0022272 k( 198) = ( 0.0000000 0.0000000 0.2314466), wk = 0.0022272 k( 199) = ( 0.0000000 0.0000000 0.2407045), wk = 0.0022272 k( 200) = ( 0.0000000 0.0000000 0.2499623), wk = 0.0022272 k( 201) = ( 0.0000000 0.0000000 0.2592202), wk = 0.0022272 k( 202) = ( 0.0000000 0.0000000 0.2684781), wk = 0.0022272 k( 203) = ( 0.0000000 0.0000000 0.2777359), wk = 0.0022272 k( 204) = ( 0.0000000 0.0000000 0.2869938), wk = 0.0022272 k( 205) = ( 0.0000000 0.0000000 0.2962517), wk = 0.0022272 k( 206) = ( 0.0000000 0.0000000 0.3055095), wk = 0.0022272 k( 207) = ( 0.0000000 0.0000000 0.3147674), wk = 0.0022272 k( 208) = ( 0.0000000 0.0000000 0.3147674), wk = 0.0022272 k( 209) = ( 0.0080645 0.0046561 0.3147674), wk = 0.0022272 k( 210) = ( 0.0161290 0.0093121 0.3147674), wk = 0.0022272 k( 211) = ( 0.0241936 0.0139682 0.3147674), wk = 0.0022272 k( 212) = ( 0.0322581 0.0186242 0.3147674), wk = 0.0022272 k( 213) = ( 0.0403226 0.0232803 0.3147674), wk = 0.0022272 k( 214) = ( 0.0483871 0.0279363 0.3147674), wk = 0.0022272 k( 215) = ( 0.0564516 0.0325924 0.3147674), wk = 0.0022272 k( 216) = ( 0.0645161 0.0372484 0.3147674), wk = 0.0022272 k( 217) = ( 0.0725806 0.0419045 0.3147674), wk = 0.0022272 k( 218) = ( 0.0806452 0.0465605 0.3147674), wk = 0.0022272 k( 219) = ( 0.0887097 0.0512166 0.3147674), wk = 0.0022272 k( 220) = ( 0.0967742 0.0558726 0.3147674), wk = 0.0022272 k( 221) = ( 0.1048387 0.0605287 0.3147674), wk = 0.0022272 k( 222) = ( 0.1129032 0.0651847 0.3147674), wk = 0.0022272 k( 223) = ( 0.1209677 0.0698408 0.3147674), wk = 0.0022272 k( 224) = ( 0.1290323 0.0744968 0.3147674), wk = 0.0022272 k( 225) = ( 0.1370968 0.0791529 0.3147674), wk = 0.0022272 k( 226) = ( 0.1451613 0.0838089 0.3147674), wk = 0.0022272 k( 227) = ( 0.1532258 0.0884650 0.3147674), wk = 0.0022272 k( 228) = ( 0.1612903 0.0931210 0.3147674), wk = 0.0022272 k( 229) = ( 0.1693548 0.0977771 0.3147674), wk = 0.0022272 k( 230) = ( 0.1774194 0.1024331 0.3147674), wk = 0.0022272 k( 231) = ( 0.1854839 0.1070892 0.3147674), wk = 0.0022272 k( 232) = ( 0.1935484 0.1117452 0.3147674), wk = 0.0022272 k( 233) = ( 0.2016129 0.1164013 0.3147674), wk = 0.0022272 k( 234) = ( 0.2096774 0.1210573 0.3147674), wk = 0.0022272 k( 235) = ( 0.2177419 0.1257134 0.3147674), wk = 0.0022272 k( 236) = ( 0.2258064 0.1303694 0.3147674), wk = 0.0022272 k( 237) = ( 0.2338710 0.1350255 0.3147674), wk = 0.0022272 k( 238) = ( 0.2419355 0.1396815 0.3147674), wk = 0.0022272 k( 239) = ( 0.2500000 0.1443376 0.3147674), wk = 0.0022272 k( 240) = ( 0.2580645 0.1489936 0.3147674), wk = 0.0022272 k( 241) = ( 0.2661290 0.1536497 0.3147674), wk = 0.0022272 k( 242) = ( 0.2741936 0.1583057 0.3147674), wk = 0.0022272 k( 243) = ( 0.2822581 0.1629618 0.3147674), wk = 0.0022272 k( 244) = ( 0.2903226 0.1676178 0.3147674), wk = 0.0022272 k( 245) = ( 0.2983871 0.1722739 0.3147674), wk = 0.0022272 k( 246) = ( 0.3064516 0.1769299 0.3147674), wk = 0.0022272 k( 247) = ( 0.3145161 0.1815860 0.3147674), wk = 0.0022272 k( 248) = ( 0.3225807 0.1862420 0.3147674), wk = 0.0022272 k( 249) = ( 0.3306452 0.1908981 0.3147674), wk = 0.0022272 k( 250) = ( 0.3387097 0.1955541 0.3147674), wk = 0.0022272 k( 251) = ( 0.3467742 0.2002102 0.3147674), wk = 0.0022272 k( 252) = ( 0.3548387 0.2048662 0.3147674), wk = 0.0022272 k( 253) = ( 0.3629032 0.2095223 0.3147674), wk = 0.0022272 k( 254) = ( 0.3709677 0.2141783 0.3147674), wk = 0.0022272 k( 255) = ( 0.3790323 0.2188344 0.3147674), wk = 0.0022272 k( 256) = ( 0.3870968 0.2234904 0.3147674), wk = 0.0022272 k( 257) = ( 0.3951613 0.2281465 0.3147674), wk = 0.0022272 k( 258) = ( 0.4032258 0.2328025 0.3147674), wk = 0.0022272 k( 259) = ( 0.4112903 0.2374586 0.3147674), wk = 0.0022272 k( 260) = ( 0.4193548 0.2421146 0.3147674), wk = 0.0022272 k( 261) = ( 0.4274193 0.2467707 0.3147674), wk = 0.0022272 k( 262) = ( 0.4354839 0.2514267 0.3147674), wk = 0.0022272 k( 263) = ( 0.4435484 0.2560828 0.3147674), wk = 0.0022272 k( 264) = ( 0.4516129 0.2607388 0.3147674), wk = 0.0022272 k( 265) = ( 0.4596774 0.2653949 0.3147674), wk = 0.0022272 k( 266) = ( 0.4677419 0.2700509 0.3147674), wk = 0.0022272 k( 267) = ( 0.4758064 0.2747070 0.3147674), wk = 0.0022272 k( 268) = ( 0.4838710 0.2793630 0.3147674), wk = 0.0022272 k( 269) = ( 0.4919355 0.2840191 0.3147674), wk = 0.0022272 k( 270) = ( 0.5000000 0.2886751 0.3147674), wk = 0.0022272 k( 271) = ( 0.5000000 0.2886751 0.3147674), wk = 0.0022272 k( 272) = ( 0.4953704 0.2966939 0.3147674), wk = 0.0022272 k( 273) = ( 0.4907407 0.3047126 0.3147674), wk = 0.0022272 k( 274) = ( 0.4861111 0.3127314 0.3147674), wk = 0.0022272 k( 275) = ( 0.4814815 0.3207502 0.3147674), wk = 0.0022272 k( 276) = ( 0.4768519 0.3287689 0.3147674), wk = 0.0022272 k( 277) = ( 0.4722222 0.3367877 0.3147674), wk = 0.0022272 k( 278) = ( 0.4675926 0.3448064 0.3147674), wk = 0.0022272 k( 279) = ( 0.4629630 0.3528252 0.3147674), wk = 0.0022272 k( 280) = ( 0.4583333 0.3608439 0.3147674), wk = 0.0022272 k( 281) = ( 0.4537037 0.3688627 0.3147674), wk = 0.0022272 k( 282) = ( 0.4490741 0.3768814 0.3147674), wk = 0.0022272 k( 283) = ( 0.4444444 0.3849002 0.3147674), wk = 0.0022272 k( 284) = ( 0.4398148 0.3929189 0.3147674), wk = 0.0022272 k( 285) = ( 0.4351852 0.4009377 0.3147674), wk = 0.0022272 k( 286) = ( 0.4305556 0.4089564 0.3147674), wk = 0.0022272 k( 287) = ( 0.4259259 0.4169752 0.3147674), wk = 0.0022272 k( 288) = ( 0.4212963 0.4249940 0.3147674), wk = 0.0022272 k( 289) = ( 0.4166667 0.4330127 0.3147674), wk = 0.0022272 k( 290) = ( 0.4120370 0.4410315 0.3147674), wk = 0.0022272 k( 291) = ( 0.4074074 0.4490502 0.3147674), wk = 0.0022272 k( 292) = ( 0.4027778 0.4570690 0.3147674), wk = 0.0022272 k( 293) = ( 0.3981481 0.4650877 0.3147674), wk = 0.0022272 k( 294) = ( 0.3935185 0.4731065 0.3147674), wk = 0.0022272 k( 295) = ( 0.3888889 0.4811252 0.3147674), wk = 0.0022272 k( 296) = ( 0.3842593 0.4891440 0.3147674), wk = 0.0022272 k( 297) = ( 0.3796296 0.4971627 0.3147674), wk = 0.0022272 k( 298) = ( 0.3750000 0.5051815 0.3147674), wk = 0.0022272 k( 299) = ( 0.3703704 0.5132002 0.3147674), wk = 0.0022272 k( 300) = ( 0.3657407 0.5212190 0.3147674), wk = 0.0022272 k( 301) = ( 0.3611111 0.5292377 0.3147674), wk = 0.0022272 k( 302) = ( 0.3564815 0.5372565 0.3147674), wk = 0.0022272 k( 303) = ( 0.3518519 0.5452753 0.3147674), wk = 0.0022272 k( 304) = ( 0.3472222 0.5532940 0.3147674), wk = 0.0022272 k( 305) = ( 0.3425926 0.5613128 0.3147674), wk = 0.0022272 k( 306) = ( 0.3379630 0.5693315 0.3147674), wk = 0.0022272 k( 307) = ( 0.3333333 0.5773503 0.3147674), wk = 0.0022272 k( 308) = ( 0.3333333 0.5773503 0.3147674), wk = 0.0022272 k( 309) = ( 0.3286385 0.5692186 0.3147674), wk = 0.0022272 k( 310) = ( 0.3239437 0.5610869 0.3147674), wk = 0.0022272 k( 311) = ( 0.3192488 0.5529552 0.3147674), wk = 0.0022272 k( 312) = ( 0.3145540 0.5448235 0.3147674), wk = 0.0022272 k( 313) = ( 0.3098592 0.5366918 0.3147674), wk = 0.0022272 k( 314) = ( 0.3051643 0.5285601 0.3147674), wk = 0.0022272 k( 315) = ( 0.3004695 0.5204284 0.3147674), wk = 0.0022272 k( 316) = ( 0.2957746 0.5122967 0.3147674), wk = 0.0022272 k( 317) = ( 0.2910798 0.5041650 0.3147674), wk = 0.0022272 k( 318) = ( 0.2863850 0.4960333 0.3147674), wk = 0.0022272 k( 319) = ( 0.2816901 0.4879016 0.3147674), wk = 0.0022272 k( 320) = ( 0.2769953 0.4797700 0.3147674), wk = 0.0022272 k( 321) = ( 0.2723005 0.4716382 0.3147674), wk = 0.0022272 k( 322) = ( 0.2676056 0.4635065 0.3147674), wk = 0.0022272 k( 323) = ( 0.2629108 0.4553749 0.3147674), wk = 0.0022272 k( 324) = ( 0.2582160 0.4472432 0.3147674), wk = 0.0022272 k( 325) = ( 0.2535211 0.4391115 0.3147674), wk = 0.0022272 k( 326) = ( 0.2488263 0.4309798 0.3147674), wk = 0.0022272 k( 327) = ( 0.2441315 0.4228481 0.3147674), wk = 0.0022272 k( 328) = ( 0.2394366 0.4147164 0.3147674), wk = 0.0022272 k( 329) = ( 0.2347418 0.4065847 0.3147674), wk = 0.0022272 k( 330) = ( 0.2300470 0.3984530 0.3147674), wk = 0.0022272 k( 331) = ( 0.2253521 0.3903213 0.3147674), wk = 0.0022272 k( 332) = ( 0.2206573 0.3821896 0.3147674), wk = 0.0022272 k( 333) = ( 0.2159624 0.3740579 0.3147674), wk = 0.0022272 k( 334) = ( 0.2112676 0.3659262 0.3147674), wk = 0.0022272 k( 335) = ( 0.2065728 0.3577945 0.3147674), wk = 0.0022272 k( 336) = ( 0.2018779 0.3496628 0.3147674), wk = 0.0022272 k( 337) = ( 0.1971831 0.3415311 0.3147674), wk = 0.0022272 k( 338) = ( 0.1924883 0.3333994 0.3147674), wk = 0.0022272 k( 339) = ( 0.1877934 0.3252678 0.3147674), wk = 0.0022272 k( 340) = ( 0.1830986 0.3171361 0.3147674), wk = 0.0022272 k( 341) = ( 0.1784038 0.3090044 0.3147674), wk = 0.0022272 k( 342) = ( 0.1737089 0.3008727 0.3147674), wk = 0.0022272 k( 343) = ( 0.1690141 0.2927410 0.3147674), wk = 0.0022272 k( 344) = ( 0.1643193 0.2846093 0.3147674), wk = 0.0022272 k( 345) = ( 0.1596244 0.2764776 0.3147674), wk = 0.0022272 k( 346) = ( 0.1549296 0.2683459 0.3147674), wk = 0.0022272 k( 347) = ( 0.1502347 0.2602142 0.3147674), wk = 0.0022272 k( 348) = ( 0.1455399 0.2520825 0.3147674), wk = 0.0022272 k( 349) = ( 0.1408451 0.2439508 0.3147674), wk = 0.0022272 k( 350) = ( 0.1361502 0.2358191 0.3147674), wk = 0.0022272 k( 351) = ( 0.1314554 0.2276874 0.3147674), wk = 0.0022272 k( 352) = ( 0.1267606 0.2195557 0.3147674), wk = 0.0022272 k( 353) = ( 0.1220657 0.2114240 0.3147674), wk = 0.0022272 k( 354) = ( 0.1173709 0.2032923 0.3147674), wk = 0.0022272 k( 355) = ( 0.1126761 0.1951607 0.3147674), wk = 0.0022272 k( 356) = ( 0.1079812 0.1870290 0.3147674), wk = 0.0022272 k( 357) = ( 0.1032864 0.1788973 0.3147674), wk = 0.0022272 k( 358) = ( 0.0985916 0.1707656 0.3147674), wk = 0.0022272 k( 359) = ( 0.0938967 0.1626339 0.3147674), wk = 0.0022272 k( 360) = ( 0.0892019 0.1545022 0.3147674), wk = 0.0022272 k( 361) = ( 0.0845070 0.1463705 0.3147674), wk = 0.0022272 k( 362) = ( 0.0798122 0.1382388 0.3147674), wk = 0.0022272 k( 363) = ( 0.0751174 0.1301071 0.3147674), wk = 0.0022272 k( 364) = ( 0.0704225 0.1219754 0.3147674), wk = 0.0022272 k( 365) = ( 0.0657277 0.1138437 0.3147674), wk = 0.0022272 k( 366) = ( 0.0610329 0.1057120 0.3147674), wk = 0.0022272 k( 367) = ( 0.0563380 0.0975803 0.3147674), wk = 0.0022272 k( 368) = ( 0.0516432 0.0894486 0.3147674), wk = 0.0022272 k( 369) = ( 0.0469484 0.0813169 0.3147674), wk = 0.0022272 k( 370) = ( 0.0422535 0.0731852 0.3147674), wk = 0.0022272 k( 371) = ( 0.0375587 0.0650536 0.3147674), wk = 0.0022272 k( 372) = ( 0.0328639 0.0569219 0.3147674), wk = 0.0022272 k( 373) = ( 0.0281690 0.0487902 0.3147674), wk = 0.0022272 k( 374) = ( 0.0234742 0.0406585 0.3147674), wk = 0.0022272 k( 375) = ( 0.0187793 0.0325268 0.3147674), wk = 0.0022272 k( 376) = ( 0.0140845 0.0243951 0.3147674), wk = 0.0022272 k( 377) = ( 0.0093897 0.0162634 0.3147674), wk = 0.0022272 k( 378) = ( 0.0046948 0.0081317 0.3147674), wk = 0.0022272 k( 379) = ( 0.0000000 0.0000000 0.3147674), wk = 0.0022272 k( 380) = ( 0.5000000 0.2886751 0.3147674), wk = 0.0022272 k( 381) = ( 0.5000000 0.2886751 0.3055095), wk = 0.0022272 k( 382) = ( 0.5000000 0.2886751 0.2962517), wk = 0.0022272 k( 383) = ( 0.5000000 0.2886751 0.2869938), wk = 0.0022272 k( 384) = ( 0.5000000 0.2886751 0.2777359), wk = 0.0022272 k( 385) = ( 0.5000000 0.2886751 0.2684781), wk = 0.0022272 k( 386) = ( 0.5000000 0.2886751 0.2592202), wk = 0.0022272 k( 387) = ( 0.5000000 0.2886751 0.2499623), wk = 0.0022272 k( 388) = ( 0.5000000 0.2886751 0.2407045), wk = 0.0022272 k( 389) = ( 0.5000000 0.2886751 0.2314466), wk = 0.0022272 k( 390) = ( 0.5000000 0.2886751 0.2221887), wk = 0.0022272 k( 391) = ( 0.5000000 0.2886751 0.2129309), wk = 0.0022272 k( 392) = ( 0.5000000 0.2886751 0.2036730), wk = 0.0022272 k( 393) = ( 0.5000000 0.2886751 0.1944152), wk = 0.0022272 k( 394) = ( 0.5000000 0.2886751 0.1851573), wk = 0.0022272 k( 395) = ( 0.5000000 0.2886751 0.1758994), wk = 0.0022272 k( 396) = ( 0.5000000 0.2886751 0.1666416), wk = 0.0022272 k( 397) = ( 0.5000000 0.2886751 0.1573837), wk = 0.0022272 k( 398) = ( 0.5000000 0.2886751 0.1481258), wk = 0.0022272 k( 399) = ( 0.5000000 0.2886751 0.1388680), wk = 0.0022272 k( 400) = ( 0.5000000 0.2886751 0.1296101), wk = 0.0022272 k( 401) = ( 0.5000000 0.2886751 0.1203522), wk = 0.0022272 k( 402) = ( 0.5000000 0.2886751 0.1110944), wk = 0.0022272 k( 403) = ( 0.5000000 0.2886751 0.1018365), wk = 0.0022272 k( 404) = ( 0.5000000 0.2886751 0.0925786), wk = 0.0022272 k( 405) = ( 0.5000000 0.2886751 0.0833208), wk = 0.0022272 k( 406) = ( 0.5000000 0.2886751 0.0740629), wk = 0.0022272 k( 407) = ( 0.5000000 0.2886751 0.0648051), wk = 0.0022272 k( 408) = ( 0.5000000 0.2886751 0.0555472), wk = 0.0022272 k( 409) = ( 0.5000000 0.2886751 0.0462893), wk = 0.0022272 k( 410) = ( 0.5000000 0.2886751 0.0370315), wk = 0.0022272 k( 411) = ( 0.5000000 0.2886751 0.0277736), wk = 0.0022272 k( 412) = ( 0.5000000 0.2886751 0.0185157), wk = 0.0022272 k( 413) = ( 0.5000000 0.2886751 0.0092579), wk = 0.0022272 k( 414) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0022272 k( 415) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0022272 k( 416) = ( 0.3333333 0.5773503 0.0092579), wk = 0.0022272 k( 417) = ( 0.3333333 0.5773503 0.0185157), wk = 0.0022272 k( 418) = ( 0.3333333 0.5773503 0.0277736), wk = 0.0022272 k( 419) = ( 0.3333333 0.5773503 0.0370315), wk = 0.0022272 k( 420) = ( 0.3333333 0.5773503 0.0462893), wk = 0.0022272 k( 421) = ( 0.3333333 0.5773503 0.0555472), wk = 0.0022272 k( 422) = ( 0.3333333 0.5773503 0.0648051), wk = 0.0022272 k( 423) = ( 0.3333333 0.5773503 0.0740629), wk = 0.0022272 k( 424) = ( 0.3333333 0.5773503 0.0833208), wk = 0.0022272 k( 425) = ( 0.3333333 0.5773503 0.0925786), wk = 0.0022272 k( 426) = ( 0.3333333 0.5773503 0.1018365), wk = 0.0022272 k( 427) = ( 0.3333333 0.5773503 0.1110944), wk = 0.0022272 k( 428) = ( 0.3333333 0.5773503 0.1203522), wk = 0.0022272 k( 429) = ( 0.3333333 0.5773503 0.1296101), wk = 0.0022272 k( 430) = ( 0.3333333 0.5773503 0.1388680), wk = 0.0022272 k( 431) = ( 0.3333333 0.5773503 0.1481258), wk = 0.0022272 k( 432) = ( 0.3333333 0.5773503 0.1573837), wk = 0.0022272 k( 433) = ( 0.3333333 0.5773503 0.1666416), wk = 0.0022272 k( 434) = ( 0.3333333 0.5773503 0.1758994), wk = 0.0022272 k( 435) = ( 0.3333333 0.5773503 0.1851573), wk = 0.0022272 k( 436) = ( 0.3333333 0.5773503 0.1944152), wk = 0.0022272 k( 437) = ( 0.3333333 0.5773503 0.2036730), wk = 0.0022272 k( 438) = ( 0.3333333 0.5773503 0.2129309), wk = 0.0022272 k( 439) = ( 0.3333333 0.5773503 0.2221887), wk = 0.0022272 k( 440) = ( 0.3333333 0.5773503 0.2314466), wk = 0.0022272 k( 441) = ( 0.3333333 0.5773503 0.2407045), wk = 0.0022272 k( 442) = ( 0.3333333 0.5773503 0.2499623), wk = 0.0022272 k( 443) = ( 0.3333333 0.5773503 0.2592202), wk = 0.0022272 k( 444) = ( 0.3333333 0.5773503 0.2684781), wk = 0.0022272 k( 445) = ( 0.3333333 0.5773503 0.2777359), wk = 0.0022272 k( 446) = ( 0.3333333 0.5773503 0.2869938), wk = 0.0022272 k( 447) = ( 0.3333333 0.5773503 0.2962517), wk = 0.0022272 k( 448) = ( 0.3333333 0.5773503 0.3055095), wk = 0.0022272 k( 449) = ( 0.3333333 0.5773503 0.3147674), wk = 0.0022272 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022272 k( 2) = ( 0.0080645 -0.0000000 -0.0000000), wk = 0.0022272 k( 3) = ( 0.0161290 0.0000000 0.0000000), wk = 0.0022272 k( 4) = ( 0.0241936 0.0000000 -0.0000000), wk = 0.0022272 k( 5) = ( 0.0322581 0.0000000 0.0000000), wk = 0.0022272 k( 6) = ( 0.0403226 -0.0000000 -0.0000000), wk = 0.0022272 k( 7) = ( 0.0483871 0.0000000 -0.0000000), wk = 0.0022272 k( 8) = ( 0.0564516 -0.0000000 -0.0000000), wk = 0.0022272 k( 9) = ( 0.0645161 0.0000000 -0.0000000), wk = 0.0022272 k( 10) = ( 0.0725806 0.0000000 -0.0000000), wk = 0.0022272 k( 11) = ( 0.0806452 -0.0000000 -0.0000000), wk = 0.0022272 k( 12) = ( 0.0887097 -0.0000000 -0.0000000), wk = 0.0022272 k( 13) = ( 0.0967742 0.0000000 0.0000000), wk = 0.0022272 k( 14) = ( 0.1048387 -0.0000000 -0.0000000), wk = 0.0022272 k( 15) = ( 0.1129032 -0.0000000 -0.0000000), wk = 0.0022272 k( 16) = ( 0.1209677 -0.0000000 -0.0000000), wk = 0.0022272 k( 17) = ( 0.1290323 0.0000000 -0.0000000), wk = 0.0022272 k( 18) = ( 0.1370968 0.0000000 -0.0000000), wk = 0.0022272 k( 19) = ( 0.1451613 0.0000000 -0.0000000), wk = 0.0022272 k( 20) = ( 0.1532258 0.0000000 -0.0000000), wk = 0.0022272 k( 21) = ( 0.1612903 -0.0000000 -0.0000000), wk = 0.0022272 k( 22) = ( 0.1693548 -0.0000000 -0.0000000), wk = 0.0022272 k( 23) = ( 0.1774194 -0.0000000 -0.0000000), wk = 0.0022272 k( 24) = ( 0.1854839 -0.0000000 0.0000000), wk = 0.0022272 k( 25) = ( 0.1935484 0.0000000 -0.0000000), wk = 0.0022272 k( 26) = ( 0.2016129 -0.0000000 -0.0000000), wk = 0.0022272 k( 27) = ( 0.2096774 -0.0000000 -0.0000000), wk = 0.0022272 k( 28) = ( 0.2177419 -0.0000000 -0.0000000), wk = 0.0022272 k( 29) = ( 0.2258064 -0.0000000 -0.0000000), wk = 0.0022272 k( 30) = ( 0.2338710 -0.0000000 -0.0000000), wk = 0.0022272 k( 31) = ( 0.2419355 -0.0000000 -0.0000000), wk = 0.0022272 k( 32) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0022272 k( 33) = ( 0.2580645 0.0000000 -0.0000000), wk = 0.0022272 k( 34) = ( 0.2661290 0.0000000 -0.0000000), wk = 0.0022272 k( 35) = ( 0.2741936 -0.0000000 -0.0000000), wk = 0.0022272 k( 36) = ( 0.2822581 -0.0000000 -0.0000000), wk = 0.0022272 k( 37) = ( 0.2903226 0.0000000 -0.0000000), wk = 0.0022272 k( 38) = ( 0.2983871 -0.0000000 -0.0000000), wk = 0.0022272 k( 39) = ( 0.3064516 -0.0000000 0.0000000), wk = 0.0022272 k( 40) = ( 0.3145161 -0.0000000 -0.0000000), wk = 0.0022272 k( 41) = ( 0.3225807 -0.0000000 -0.0000000), wk = 0.0022272 k( 42) = ( 0.3306452 -0.0000000 -0.0000000), wk = 0.0022272 k( 43) = ( 0.3387097 -0.0000000 -0.0000000), wk = 0.0022272 k( 44) = ( 0.3467742 -0.0000000 -0.0000000), wk = 0.0022272 k( 45) = ( 0.3548387 -0.0000000 -0.0000000), wk = 0.0022272 k( 46) = ( 0.3629032 -0.0000000 0.0000000), wk = 0.0022272 k( 47) = ( 0.3709677 -0.0000000 0.0000000), wk = 0.0022272 k( 48) = ( 0.3790323 -0.0000000 -0.0000000), wk = 0.0022272 k( 49) = ( 0.3870968 -0.0000000 -0.0000000), wk = 0.0022272 k( 50) = ( 0.3951613 0.0000000 -0.0000000), wk = 0.0022272 k( 51) = ( 0.4032258 -0.0000000 -0.0000000), wk = 0.0022272 k( 52) = ( 0.4112903 -0.0000000 -0.0000000), wk = 0.0022272 k( 53) = ( 0.4193548 -0.0000000 -0.0000000), wk = 0.0022272 k( 54) = ( 0.4274193 -0.0000000 -0.0000000), wk = 0.0022272 k( 55) = ( 0.4354839 -0.0000000 -0.0000000), wk = 0.0022272 k( 56) = ( 0.4435484 -0.0000000 -0.0000000), wk = 0.0022272 k( 57) = ( 0.4516129 -0.0000000 -0.0000000), wk = 0.0022272 k( 58) = ( 0.4596774 -0.0000000 -0.0000000), wk = 0.0022272 k( 59) = ( 0.4677419 -0.0000000 -0.0000000), wk = 0.0022272 k( 60) = ( 0.4758064 -0.0000000 -0.0000000), wk = 0.0022272 k( 61) = ( 0.4838710 -0.0000000 -0.0000000), wk = 0.0022272 k( 62) = ( 0.4919355 -0.0000000 -0.0000000), wk = 0.0022272 k( 63) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0022272 k( 64) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0022272 k( 65) = ( 0.4953704 0.0092593 -0.0000000), wk = 0.0022272 k( 66) = ( 0.4907407 0.0185185 -0.0000000), wk = 0.0022272 k( 67) = ( 0.4861111 0.0277778 -0.0000000), wk = 0.0022272 k( 68) = ( 0.4814815 0.0370370 -0.0000000), wk = 0.0022272 k( 69) = ( 0.4768519 0.0462963 -0.0000000), wk = 0.0022272 k( 70) = ( 0.4722222 0.0555556 -0.0000000), wk = 0.0022272 k( 71) = ( 0.4675926 0.0648148 -0.0000000), wk = 0.0022272 k( 72) = ( 0.4629630 0.0740741 -0.0000000), wk = 0.0022272 k( 73) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0022272 k( 74) = ( 0.4537037 0.0925926 0.0000000), wk = 0.0022272 k( 75) = ( 0.4490741 0.1018518 -0.0000000), wk = 0.0022272 k( 76) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0022272 k( 77) = ( 0.4398148 0.1203704 -0.0000000), wk = 0.0022272 k( 78) = ( 0.4351852 0.1296296 -0.0000000), wk = 0.0022272 k( 79) = ( 0.4305556 0.1388889 -0.0000000), wk = 0.0022272 k( 80) = ( 0.4259259 0.1481481 -0.0000000), wk = 0.0022272 k( 81) = ( 0.4212963 0.1574074 -0.0000000), wk = 0.0022272 k( 82) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0022272 k( 83) = ( 0.4120370 0.1759259 -0.0000000), wk = 0.0022272 k( 84) = ( 0.4074074 0.1851852 0.0000000), wk = 0.0022272 k( 85) = ( 0.4027778 0.1944444 0.0000000), wk = 0.0022272 k( 86) = ( 0.3981481 0.2037037 -0.0000000), wk = 0.0022272 k( 87) = ( 0.3935185 0.2129630 -0.0000000), wk = 0.0022272 k( 88) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0022272 k( 89) = ( 0.3842593 0.2314815 -0.0000000), wk = 0.0022272 k( 90) = ( 0.3796296 0.2407407 -0.0000000), wk = 0.0022272 k( 91) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0022272 k( 92) = ( 0.3703704 0.2592593 -0.0000000), wk = 0.0022272 k( 93) = ( 0.3657407 0.2685185 -0.0000000), wk = 0.0022272 k( 94) = ( 0.3611111 0.2777778 -0.0000000), wk = 0.0022272 k( 95) = ( 0.3564815 0.2870370 -0.0000000), wk = 0.0022272 k( 96) = ( 0.3518519 0.2962963 -0.0000000), wk = 0.0022272 k( 97) = ( 0.3472222 0.3055556 -0.0000000), wk = 0.0022272 k( 98) = ( 0.3425926 0.3148148 -0.0000000), wk = 0.0022272 k( 99) = ( 0.3379630 0.3240741 -0.0000000), wk = 0.0022272 k( 100) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0022272 k( 101) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0022272 k( 102) = ( 0.3286385 0.3286385 0.0000000), wk = 0.0022272 k( 103) = ( 0.3239437 0.3239437 0.0000000), wk = 0.0022272 k( 104) = ( 0.3192488 0.3192488 -0.0000000), wk = 0.0022272 k( 105) = ( 0.3145540 0.3145540 -0.0000000), wk = 0.0022272 k( 106) = ( 0.3098592 0.3098591 -0.0000000), wk = 0.0022272 k( 107) = ( 0.3051643 0.3051643 0.0000000), wk = 0.0022272 k( 108) = ( 0.3004695 0.3004695 -0.0000000), wk = 0.0022272 k( 109) = ( 0.2957746 0.2957746 -0.0000000), wk = 0.0022272 k( 110) = ( 0.2910798 0.2910798 -0.0000000), wk = 0.0022272 k( 111) = ( 0.2863850 0.2863850 -0.0000000), wk = 0.0022272 k( 112) = ( 0.2816901 0.2816901 -0.0000000), wk = 0.0022272 k( 113) = ( 0.2769953 0.2769953 -0.0000000), wk = 0.0022272 k( 114) = ( 0.2723005 0.2723005 -0.0000000), wk = 0.0022272 k( 115) = ( 0.2676056 0.2676056 -0.0000000), wk = 0.0022272 k( 116) = ( 0.2629108 0.2629108 -0.0000000), wk = 0.0022272 k( 117) = ( 0.2582160 0.2582160 -0.0000000), wk = 0.0022272 k( 118) = ( 0.2535211 0.2535211 -0.0000000), wk = 0.0022272 k( 119) = ( 0.2488263 0.2488263 -0.0000000), wk = 0.0022272 k( 120) = ( 0.2441315 0.2441315 -0.0000000), wk = 0.0022272 k( 121) = ( 0.2394366 0.2394366 -0.0000000), wk = 0.0022272 k( 122) = ( 0.2347418 0.2347418 -0.0000000), wk = 0.0022272 k( 123) = ( 0.2300470 0.2300469 -0.0000000), wk = 0.0022272 k( 124) = ( 0.2253521 0.2253521 0.0000000), wk = 0.0022272 k( 125) = ( 0.2206573 0.2206573 -0.0000000), wk = 0.0022272 k( 126) = ( 0.2159624 0.2159624 -0.0000000), wk = 0.0022272 k( 127) = ( 0.2112676 0.2112676 -0.0000000), wk = 0.0022272 k( 128) = ( 0.2065728 0.2065728 -0.0000000), wk = 0.0022272 k( 129) = ( 0.2018779 0.2018779 -0.0000000), wk = 0.0022272 k( 130) = ( 0.1971831 0.1971831 -0.0000000), wk = 0.0022272 k( 131) = ( 0.1924883 0.1924883 -0.0000000), wk = 0.0022272 k( 132) = ( 0.1877934 0.1877934 -0.0000000), wk = 0.0022272 k( 133) = ( 0.1830986 0.1830986 -0.0000000), wk = 0.0022272 k( 134) = ( 0.1784038 0.1784038 -0.0000000), wk = 0.0022272 k( 135) = ( 0.1737089 0.1737089 -0.0000000), wk = 0.0022272 k( 136) = ( 0.1690141 0.1690141 -0.0000000), wk = 0.0022272 k( 137) = ( 0.1643193 0.1643193 0.0000000), wk = 0.0022272 k( 138) = ( 0.1596244 0.1596244 -0.0000000), wk = 0.0022272 k( 139) = ( 0.1549296 0.1549296 -0.0000000), wk = 0.0022272 k( 140) = ( 0.1502347 0.1502347 -0.0000000), wk = 0.0022272 k( 141) = ( 0.1455399 0.1455399 -0.0000000), wk = 0.0022272 k( 142) = ( 0.1408451 0.1408451 -0.0000000), wk = 0.0022272 k( 143) = ( 0.1361502 0.1361502 -0.0000000), wk = 0.0022272 k( 144) = ( 0.1314554 0.1314554 -0.0000000), wk = 0.0022272 k( 145) = ( 0.1267606 0.1267606 0.0000000), wk = 0.0022272 k( 146) = ( 0.1220657 0.1220657 -0.0000000), wk = 0.0022272 k( 147) = ( 0.1173709 0.1173709 -0.0000000), wk = 0.0022272 k( 148) = ( 0.1126761 0.1126761 -0.0000000), wk = 0.0022272 k( 149) = ( 0.1079812 0.1079812 -0.0000000), wk = 0.0022272 k( 150) = ( 0.1032864 0.1032864 -0.0000000), wk = 0.0022272 k( 151) = ( 0.0985916 0.0985915 -0.0000000), wk = 0.0022272 k( 152) = ( 0.0938967 0.0938967 -0.0000000), wk = 0.0022272 k( 153) = ( 0.0892019 0.0892019 -0.0000000), wk = 0.0022272 k( 154) = ( 0.0845070 0.0845070 -0.0000000), wk = 0.0022272 k( 155) = ( 0.0798122 0.0798122 -0.0000000), wk = 0.0022272 k( 156) = ( 0.0751174 0.0751174 -0.0000000), wk = 0.0022272 k( 157) = ( 0.0704225 0.0704225 -0.0000000), wk = 0.0022272 k( 158) = ( 0.0657277 0.0657277 -0.0000000), wk = 0.0022272 k( 159) = ( 0.0610329 0.0610329 -0.0000000), wk = 0.0022272 k( 160) = ( 0.0563380 0.0563380 -0.0000000), wk = 0.0022272 k( 161) = ( 0.0516432 0.0516432 -0.0000000), wk = 0.0022272 k( 162) = ( 0.0469484 0.0469484 -0.0000000), wk = 0.0022272 k( 163) = ( 0.0422535 0.0422535 -0.0000000), wk = 0.0022272 k( 164) = ( 0.0375587 0.0375587 -0.0000000), wk = 0.0022272 k( 165) = ( 0.0328639 0.0328638 -0.0000000), wk = 0.0022272 k( 166) = ( 0.0281690 0.0281690 -0.0000000), wk = 0.0022272 k( 167) = ( 0.0234742 0.0234742 -0.0000000), wk = 0.0022272 k( 168) = ( 0.0187793 0.0187793 0.0000000), wk = 0.0022272 k( 169) = ( 0.0140845 0.0140845 -0.0000000), wk = 0.0022272 k( 170) = ( 0.0093897 0.0093897 0.0000000), wk = 0.0022272 k( 171) = ( 0.0046948 0.0046948 -0.0000000), wk = 0.0022272 k( 172) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022272 k( 173) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022272 k( 174) = ( 0.0000000 0.0000000 0.0147059), wk = 0.0022272 k( 175) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0022272 k( 176) = ( 0.0000000 0.0000000 0.0441177), wk = 0.0022272 k( 177) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0022272 k( 178) = ( 0.0000000 0.0000000 0.0735294), wk = 0.0022272 k( 179) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0022272 k( 180) = ( 0.0000000 0.0000000 0.1029412), wk = 0.0022272 k( 181) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0022272 k( 182) = ( 0.0000000 0.0000000 0.1323529), wk = 0.0022272 k( 183) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0022272 k( 184) = ( 0.0000000 0.0000000 0.1617647), wk = 0.0022272 k( 185) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0022272 k( 186) = ( 0.0000000 0.0000000 0.1911765), wk = 0.0022272 k( 187) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0022272 k( 188) = ( 0.0000000 0.0000000 0.2205882), wk = 0.0022272 k( 189) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0022272 k( 190) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0022272 k( 191) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0022272 k( 192) = ( 0.0000000 0.0000000 0.2794118), wk = 0.0022272 k( 193) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0022272 k( 194) = ( 0.0000000 0.0000000 0.3088235), wk = 0.0022272 k( 195) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0022272 k( 196) = ( 0.0000000 0.0000000 0.3382353), wk = 0.0022272 k( 197) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0022272 k( 198) = ( 0.0000000 0.0000000 0.3676471), wk = 0.0022272 k( 199) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0022272 k( 200) = ( 0.0000000 0.0000000 0.3970588), wk = 0.0022272 k( 201) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0022272 k( 202) = ( 0.0000000 0.0000000 0.4264706), wk = 0.0022272 k( 203) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0022272 k( 204) = ( 0.0000000 0.0000000 0.4558823), wk = 0.0022272 k( 205) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0022272 k( 206) = ( 0.0000000 0.0000000 0.4852941), wk = 0.0022272 k( 207) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022272 k( 208) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022272 k( 209) = ( 0.0080645 -0.0000000 0.5000000), wk = 0.0022272 k( 210) = ( 0.0161290 0.0000000 0.5000000), wk = 0.0022272 k( 211) = ( 0.0241936 0.0000000 0.5000000), wk = 0.0022272 k( 212) = ( 0.0322581 0.0000000 0.5000000), wk = 0.0022272 k( 213) = ( 0.0403226 -0.0000000 0.5000000), wk = 0.0022272 k( 214) = ( 0.0483871 0.0000000 0.5000000), wk = 0.0022272 k( 215) = ( 0.0564516 -0.0000000 0.5000000), wk = 0.0022272 k( 216) = ( 0.0645161 0.0000000 0.5000000), wk = 0.0022272 k( 217) = ( 0.0725806 0.0000000 0.5000000), wk = 0.0022272 k( 218) = ( 0.0806452 -0.0000000 0.5000000), wk = 0.0022272 k( 219) = ( 0.0887097 -0.0000000 0.5000000), wk = 0.0022272 k( 220) = ( 0.0967742 0.0000000 0.5000000), wk = 0.0022272 k( 221) = ( 0.1048387 -0.0000000 0.5000000), wk = 0.0022272 k( 222) = ( 0.1129032 -0.0000000 0.5000000), wk = 0.0022272 k( 223) = ( 0.1209677 -0.0000000 0.5000000), wk = 0.0022272 k( 224) = ( 0.1290323 0.0000000 0.5000000), wk = 0.0022272 k( 225) = ( 0.1370968 0.0000000 0.5000000), wk = 0.0022272 k( 226) = ( 0.1451613 0.0000000 0.5000000), wk = 0.0022272 k( 227) = ( 0.1532258 0.0000000 0.5000000), wk = 0.0022272 k( 228) = ( 0.1612903 -0.0000000 0.5000000), wk = 0.0022272 k( 229) = ( 0.1693548 -0.0000000 0.5000000), wk = 0.0022272 k( 230) = ( 0.1774194 -0.0000000 0.5000000), wk = 0.0022272 k( 231) = ( 0.1854839 -0.0000000 0.5000000), wk = 0.0022272 k( 232) = ( 0.1935484 0.0000000 0.5000000), wk = 0.0022272 k( 233) = ( 0.2016129 -0.0000000 0.5000000), wk = 0.0022272 k( 234) = ( 0.2096774 -0.0000000 0.5000000), wk = 0.0022272 k( 235) = ( 0.2177419 -0.0000000 0.5000000), wk = 0.0022272 k( 236) = ( 0.2258064 -0.0000000 0.5000000), wk = 0.0022272 k( 237) = ( 0.2338710 -0.0000000 0.5000000), wk = 0.0022272 k( 238) = ( 0.2419355 -0.0000000 0.5000000), wk = 0.0022272 k( 239) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0022272 k( 240) = ( 0.2580645 0.0000000 0.5000000), wk = 0.0022272 k( 241) = ( 0.2661290 0.0000000 0.5000000), wk = 0.0022272 k( 242) = ( 0.2741936 -0.0000000 0.5000000), wk = 0.0022272 k( 243) = ( 0.2822581 -0.0000000 0.5000000), wk = 0.0022272 k( 244) = ( 0.2903226 0.0000000 0.5000000), wk = 0.0022272 k( 245) = ( 0.2983871 -0.0000000 0.5000000), wk = 0.0022272 k( 246) = ( 0.3064516 -0.0000000 0.5000000), wk = 0.0022272 k( 247) = ( 0.3145161 -0.0000000 0.5000000), wk = 0.0022272 k( 248) = ( 0.3225807 -0.0000000 0.5000000), wk = 0.0022272 k( 249) = ( 0.3306452 -0.0000000 0.5000000), wk = 0.0022272 k( 250) = ( 0.3387097 -0.0000000 0.5000000), wk = 0.0022272 k( 251) = ( 0.3467742 -0.0000000 0.5000000), wk = 0.0022272 k( 252) = ( 0.3548387 -0.0000000 0.5000000), wk = 0.0022272 k( 253) = ( 0.3629032 -0.0000000 0.5000000), wk = 0.0022272 k( 254) = ( 0.3709677 -0.0000000 0.5000000), wk = 0.0022272 k( 255) = ( 0.3790323 -0.0000000 0.5000000), wk = 0.0022272 k( 256) = ( 0.3870968 -0.0000000 0.5000000), wk = 0.0022272 k( 257) = ( 0.3951613 0.0000000 0.5000000), wk = 0.0022272 k( 258) = ( 0.4032258 -0.0000000 0.5000000), wk = 0.0022272 k( 259) = ( 0.4112903 -0.0000000 0.5000000), wk = 0.0022272 k( 260) = ( 0.4193548 -0.0000000 0.5000000), wk = 0.0022272 k( 261) = ( 0.4274193 -0.0000000 0.5000000), wk = 0.0022272 k( 262) = ( 0.4354839 -0.0000000 0.5000000), wk = 0.0022272 k( 263) = ( 0.4435484 -0.0000000 0.5000000), wk = 0.0022272 k( 264) = ( 0.4516129 -0.0000000 0.5000000), wk = 0.0022272 k( 265) = ( 0.4596774 -0.0000000 0.5000000), wk = 0.0022272 k( 266) = ( 0.4677419 -0.0000000 0.5000000), wk = 0.0022272 k( 267) = ( 0.4758064 -0.0000000 0.5000000), wk = 0.0022272 k( 268) = ( 0.4838710 -0.0000000 0.5000000), wk = 0.0022272 k( 269) = ( 0.4919355 -0.0000000 0.5000000), wk = 0.0022272 k( 270) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0022272 k( 271) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0022272 k( 272) = ( 0.4953704 0.0092593 0.5000000), wk = 0.0022272 k( 273) = ( 0.4907407 0.0185185 0.5000000), wk = 0.0022272 k( 274) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0022272 k( 275) = ( 0.4814815 0.0370370 0.5000000), wk = 0.0022272 k( 276) = ( 0.4768519 0.0462963 0.5000000), wk = 0.0022272 k( 277) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0022272 k( 278) = ( 0.4675926 0.0648148 0.5000000), wk = 0.0022272 k( 279) = ( 0.4629630 0.0740741 0.5000000), wk = 0.0022272 k( 280) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0022272 k( 281) = ( 0.4537037 0.0925926 0.5000000), wk = 0.0022272 k( 282) = ( 0.4490741 0.1018518 0.5000000), wk = 0.0022272 k( 283) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0022272 k( 284) = ( 0.4398148 0.1203704 0.5000000), wk = 0.0022272 k( 285) = ( 0.4351852 0.1296296 0.5000000), wk = 0.0022272 k( 286) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0022272 k( 287) = ( 0.4259259 0.1481481 0.5000000), wk = 0.0022272 k( 288) = ( 0.4212963 0.1574074 0.5000000), wk = 0.0022272 k( 289) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0022272 k( 290) = ( 0.4120370 0.1759259 0.5000000), wk = 0.0022272 k( 291) = ( 0.4074074 0.1851852 0.5000000), wk = 0.0022272 k( 292) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0022272 k( 293) = ( 0.3981481 0.2037037 0.5000000), wk = 0.0022272 k( 294) = ( 0.3935185 0.2129630 0.5000000), wk = 0.0022272 k( 295) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0022272 k( 296) = ( 0.3842593 0.2314815 0.5000000), wk = 0.0022272 k( 297) = ( 0.3796296 0.2407407 0.5000000), wk = 0.0022272 k( 298) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0022272 k( 299) = ( 0.3703704 0.2592593 0.5000000), wk = 0.0022272 k( 300) = ( 0.3657407 0.2685185 0.5000000), wk = 0.0022272 k( 301) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0022272 k( 302) = ( 0.3564815 0.2870370 0.5000000), wk = 0.0022272 k( 303) = ( 0.3518519 0.2962963 0.5000000), wk = 0.0022272 k( 304) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0022272 k( 305) = ( 0.3425926 0.3148148 0.5000000), wk = 0.0022272 k( 306) = ( 0.3379630 0.3240741 0.5000000), wk = 0.0022272 k( 307) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0022272 k( 308) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0022272 k( 309) = ( 0.3286385 0.3286385 0.5000000), wk = 0.0022272 k( 310) = ( 0.3239437 0.3239437 0.5000000), wk = 0.0022272 k( 311) = ( 0.3192488 0.3192488 0.5000000), wk = 0.0022272 k( 312) = ( 0.3145540 0.3145540 0.5000000), wk = 0.0022272 k( 313) = ( 0.3098592 0.3098591 0.5000000), wk = 0.0022272 k( 314) = ( 0.3051643 0.3051643 0.5000000), wk = 0.0022272 k( 315) = ( 0.3004695 0.3004695 0.5000000), wk = 0.0022272 k( 316) = ( 0.2957746 0.2957746 0.5000000), wk = 0.0022272 k( 317) = ( 0.2910798 0.2910798 0.5000000), wk = 0.0022272 k( 318) = ( 0.2863850 0.2863850 0.5000000), wk = 0.0022272 k( 319) = ( 0.2816901 0.2816901 0.5000000), wk = 0.0022272 k( 320) = ( 0.2769953 0.2769953 0.5000000), wk = 0.0022272 k( 321) = ( 0.2723005 0.2723005 0.5000000), wk = 0.0022272 k( 322) = ( 0.2676056 0.2676056 0.5000000), wk = 0.0022272 k( 323) = ( 0.2629108 0.2629108 0.5000000), wk = 0.0022272 k( 324) = ( 0.2582160 0.2582160 0.5000000), wk = 0.0022272 k( 325) = ( 0.2535211 0.2535211 0.5000000), wk = 0.0022272 k( 326) = ( 0.2488263 0.2488263 0.5000000), wk = 0.0022272 k( 327) = ( 0.2441315 0.2441315 0.5000000), wk = 0.0022272 k( 328) = ( 0.2394366 0.2394366 0.5000000), wk = 0.0022272 k( 329) = ( 0.2347418 0.2347418 0.5000000), wk = 0.0022272 k( 330) = ( 0.2300470 0.2300469 0.5000000), wk = 0.0022272 k( 331) = ( 0.2253521 0.2253521 0.5000000), wk = 0.0022272 k( 332) = ( 0.2206573 0.2206573 0.5000000), wk = 0.0022272 k( 333) = ( 0.2159624 0.2159624 0.5000000), wk = 0.0022272 k( 334) = ( 0.2112676 0.2112676 0.5000000), wk = 0.0022272 k( 335) = ( 0.2065728 0.2065728 0.5000000), wk = 0.0022272 k( 336) = ( 0.2018779 0.2018779 0.5000000), wk = 0.0022272 k( 337) = ( 0.1971831 0.1971831 0.5000000), wk = 0.0022272 k( 338) = ( 0.1924883 0.1924883 0.5000000), wk = 0.0022272 k( 339) = ( 0.1877934 0.1877934 0.5000000), wk = 0.0022272 k( 340) = ( 0.1830986 0.1830986 0.5000000), wk = 0.0022272 k( 341) = ( 0.1784038 0.1784038 0.5000000), wk = 0.0022272 k( 342) = ( 0.1737089 0.1737089 0.5000000), wk = 0.0022272 k( 343) = ( 0.1690141 0.1690141 0.5000000), wk = 0.0022272 k( 344) = ( 0.1643193 0.1643193 0.5000000), wk = 0.0022272 k( 345) = ( 0.1596244 0.1596244 0.5000000), wk = 0.0022272 k( 346) = ( 0.1549296 0.1549296 0.5000000), wk = 0.0022272 k( 347) = ( 0.1502347 0.1502347 0.5000000), wk = 0.0022272 k( 348) = ( 0.1455399 0.1455399 0.5000000), wk = 0.0022272 k( 349) = ( 0.1408451 0.1408451 0.5000000), wk = 0.0022272 k( 350) = ( 0.1361502 0.1361502 0.5000000), wk = 0.0022272 k( 351) = ( 0.1314554 0.1314554 0.5000000), wk = 0.0022272 k( 352) = ( 0.1267606 0.1267606 0.5000000), wk = 0.0022272 k( 353) = ( 0.1220657 0.1220657 0.5000000), wk = 0.0022272 k( 354) = ( 0.1173709 0.1173709 0.5000000), wk = 0.0022272 k( 355) = ( 0.1126761 0.1126761 0.5000000), wk = 0.0022272 k( 356) = ( 0.1079812 0.1079812 0.5000000), wk = 0.0022272 k( 357) = ( 0.1032864 0.1032864 0.5000000), wk = 0.0022272 k( 358) = ( 0.0985916 0.0985915 0.5000000), wk = 0.0022272 k( 359) = ( 0.0938967 0.0938967 0.5000000), wk = 0.0022272 k( 360) = ( 0.0892019 0.0892019 0.5000000), wk = 0.0022272 k( 361) = ( 0.0845070 0.0845070 0.5000000), wk = 0.0022272 k( 362) = ( 0.0798122 0.0798122 0.5000000), wk = 0.0022272 k( 363) = ( 0.0751174 0.0751174 0.5000000), wk = 0.0022272 k( 364) = ( 0.0704225 0.0704225 0.5000000), wk = 0.0022272 k( 365) = ( 0.0657277 0.0657277 0.5000000), wk = 0.0022272 k( 366) = ( 0.0610329 0.0610329 0.5000000), wk = 0.0022272 k( 367) = ( 0.0563380 0.0563380 0.5000000), wk = 0.0022272 k( 368) = ( 0.0516432 0.0516432 0.5000000), wk = 0.0022272 k( 369) = ( 0.0469484 0.0469484 0.5000000), wk = 0.0022272 k( 370) = ( 0.0422535 0.0422535 0.5000000), wk = 0.0022272 k( 371) = ( 0.0375587 0.0375587 0.5000000), wk = 0.0022272 k( 372) = ( 0.0328639 0.0328638 0.5000000), wk = 0.0022272 k( 373) = ( 0.0281690 0.0281690 0.5000000), wk = 0.0022272 k( 374) = ( 0.0234742 0.0234742 0.5000000), wk = 0.0022272 k( 375) = ( 0.0187793 0.0187793 0.5000000), wk = 0.0022272 k( 376) = ( 0.0140845 0.0140845 0.5000000), wk = 0.0022272 k( 377) = ( 0.0093897 0.0093897 0.5000000), wk = 0.0022272 k( 378) = ( 0.0046948 0.0046948 0.5000000), wk = 0.0022272 k( 379) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022272 k( 380) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0022272 k( 381) = ( 0.5000000 -0.0000000 0.4852941), wk = 0.0022272 k( 382) = ( 0.5000000 -0.0000000 0.4705882), wk = 0.0022272 k( 383) = ( 0.5000000 -0.0000000 0.4558823), wk = 0.0022272 k( 384) = ( 0.5000000 -0.0000000 0.4411765), wk = 0.0022272 k( 385) = ( 0.5000000 -0.0000000 0.4264706), wk = 0.0022272 k( 386) = ( 0.5000000 -0.0000000 0.4117647), wk = 0.0022272 k( 387) = ( 0.5000000 -0.0000000 0.3970588), wk = 0.0022272 k( 388) = ( 0.5000000 -0.0000000 0.3823529), wk = 0.0022272 k( 389) = ( 0.5000000 -0.0000000 0.3676471), wk = 0.0022272 k( 390) = ( 0.5000000 -0.0000000 0.3529412), wk = 0.0022272 k( 391) = ( 0.5000000 -0.0000000 0.3382353), wk = 0.0022272 k( 392) = ( 0.5000000 -0.0000000 0.3235294), wk = 0.0022272 k( 393) = ( 0.5000000 -0.0000000 0.3088235), wk = 0.0022272 k( 394) = ( 0.5000000 -0.0000000 0.2941177), wk = 0.0022272 k( 395) = ( 0.5000000 -0.0000000 0.2794118), wk = 0.0022272 k( 396) = ( 0.5000000 -0.0000000 0.2647059), wk = 0.0022272 k( 397) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0022272 k( 398) = ( 0.5000000 -0.0000000 0.2352941), wk = 0.0022272 k( 399) = ( 0.5000000 -0.0000000 0.2205882), wk = 0.0022272 k( 400) = ( 0.5000000 -0.0000000 0.2058823), wk = 0.0022272 k( 401) = ( 0.5000000 -0.0000000 0.1911765), wk = 0.0022272 k( 402) = ( 0.5000000 -0.0000000 0.1764706), wk = 0.0022272 k( 403) = ( 0.5000000 -0.0000000 0.1617647), wk = 0.0022272 k( 404) = ( 0.5000000 -0.0000000 0.1470588), wk = 0.0022272 k( 405) = ( 0.5000000 -0.0000000 0.1323529), wk = 0.0022272 k( 406) = ( 0.5000000 -0.0000000 0.1176471), wk = 0.0022272 k( 407) = ( 0.5000000 -0.0000000 0.1029412), wk = 0.0022272 k( 408) = ( 0.5000000 -0.0000000 0.0882353), wk = 0.0022272 k( 409) = ( 0.5000000 -0.0000000 0.0735294), wk = 0.0022272 k( 410) = ( 0.5000000 -0.0000000 0.0588235), wk = 0.0022272 k( 411) = ( 0.5000000 -0.0000000 0.0441177), wk = 0.0022272 k( 412) = ( 0.5000000 -0.0000000 0.0294118), wk = 0.0022272 k( 413) = ( 0.5000000 -0.0000000 0.0147059), wk = 0.0022272 k( 414) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0022272 k( 415) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0022272 k( 416) = ( 0.3333333 0.3333333 0.0147059), wk = 0.0022272 k( 417) = ( 0.3333333 0.3333333 0.0294118), wk = 0.0022272 k( 418) = ( 0.3333333 0.3333333 0.0441176), wk = 0.0022272 k( 419) = ( 0.3333333 0.3333333 0.0588235), wk = 0.0022272 k( 420) = ( 0.3333333 0.3333333 0.0735294), wk = 0.0022272 k( 421) = ( 0.3333333 0.3333333 0.0882353), wk = 0.0022272 k( 422) = ( 0.3333333 0.3333333 0.1029412), wk = 0.0022272 k( 423) = ( 0.3333333 0.3333333 0.1176471), wk = 0.0022272 k( 424) = ( 0.3333333 0.3333333 0.1323529), wk = 0.0022272 k( 425) = ( 0.3333333 0.3333333 0.1470588), wk = 0.0022272 k( 426) = ( 0.3333333 0.3333333 0.1617647), wk = 0.0022272 k( 427) = ( 0.3333333 0.3333333 0.1764706), wk = 0.0022272 k( 428) = ( 0.3333333 0.3333333 0.1911765), wk = 0.0022272 k( 429) = ( 0.3333333 0.3333333 0.2058823), wk = 0.0022272 k( 430) = ( 0.3333333 0.3333333 0.2205882), wk = 0.0022272 k( 431) = ( 0.3333333 0.3333333 0.2352941), wk = 0.0022272 k( 432) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0022272 k( 433) = ( 0.3333333 0.3333333 0.2647059), wk = 0.0022272 k( 434) = ( 0.3333333 0.3333333 0.2794118), wk = 0.0022272 k( 435) = ( 0.3333333 0.3333333 0.2941177), wk = 0.0022272 k( 436) = ( 0.3333333 0.3333333 0.3088235), wk = 0.0022272 k( 437) = ( 0.3333333 0.3333333 0.3235294), wk = 0.0022272 k( 438) = ( 0.3333333 0.3333333 0.3382353), wk = 0.0022272 k( 439) = ( 0.3333333 0.3333333 0.3529412), wk = 0.0022272 k( 440) = ( 0.3333333 0.3333333 0.3676471), wk = 0.0022272 k( 441) = ( 0.3333333 0.3333333 0.3823529), wk = 0.0022272 k( 442) = ( 0.3333333 0.3333333 0.3970588), wk = 0.0022272 k( 443) = ( 0.3333333 0.3333333 0.4117647), wk = 0.0022272 k( 444) = ( 0.3333333 0.3333333 0.4264706), wk = 0.0022272 k( 445) = ( 0.3333333 0.3333333 0.4411765), wk = 0.0022272 k( 446) = ( 0.3333333 0.3333333 0.4558823), wk = 0.0022272 k( 447) = ( 0.3333333 0.3333333 0.4705882), wk = 0.0022272 k( 448) = ( 0.3333333 0.3333333 0.4852941), wk = 0.0022272 k( 449) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0022272 Dense grid: 23031 G-vectors FFT dimensions: ( 32, 32, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 176, 32) NL pseudopotentials 0.09 Mb ( 88, 68) Each V/rho on FFT grid 0.03 Mb ( 2048) Each G-vector array 0.00 Mb ( 643) G-vector shells 0.00 Mb ( 320) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.34 Mb ( 176, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.07 Mb ( 68, 2, 32) The potential is recalculated from file : ./Ti.save/charge-density.dat Starting wfc are random Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 0.8 secs Computing kpt #: 2 total cpu time spent up to now is 1.2 secs Computing kpt #: 3 total cpu time spent up to now is 1.5 secs Computing kpt #: 4 total cpu time spent up to now is 1.8 secs Computing kpt #: 5 total cpu time spent up to now is 2.1 secs Computing kpt #: 6 total cpu time spent up to now is 2.3 secs Computing kpt #: 7 total cpu time spent up to now is 2.6 secs Computing kpt #: 8 total cpu time spent up to now is 2.9 secs Computing kpt #: 9 total cpu time spent up to now is 3.2 secs Computing kpt #: 10 total cpu time spent up to now is 3.5 secs Computing kpt #: 11 total cpu time spent up to now is 3.9 secs Computing kpt #: 12 total cpu time spent up to now is 4.2 secs Computing kpt #: 13 total cpu time spent up to now is 4.5 secs Computing kpt #: 14 total cpu time spent up to now is 4.8 secs Computing kpt #: 15 total cpu time spent up to now is 5.1 secs Computing kpt #: 16 total cpu time spent up to now is 5.5 secs Computing kpt #: 17 total cpu time spent up to now is 5.8 secs Computing kpt #: 18 total cpu time spent up to now is 6.1 secs Computing kpt #: 19 total cpu time spent up to now is 6.4 secs Computing kpt #: 20 total cpu time spent up to now is 6.7 secs Computing kpt #: 21 total cpu time spent up to now is 7.0 secs Computing kpt #: 22 total cpu time spent up to now is 7.3 secs Computing kpt #: 23 total cpu time spent up to now is 7.7 secs Computing kpt #: 24 total cpu time spent up to now is 8.0 secs Computing kpt #: 25 total cpu time spent up to now is 8.3 secs Computing kpt #: 26 total cpu time spent up to now is 8.6 secs Computing kpt #: 27 total cpu time spent up to now is 8.9 secs Computing kpt #: 28 total cpu time spent up to now is 9.2 secs Computing kpt #: 29 total cpu time spent up to now is 9.6 secs Computing kpt #: 30 total cpu time spent up to now is 9.9 secs Computing kpt #: 31 total cpu time spent up to now is 10.3 secs Computing kpt #: 32 total cpu time spent up to now is 10.6 secs Computing kpt #: 33 total cpu time spent up to now is 10.9 secs Computing kpt #: 34 total cpu time spent up to now is 11.3 secs Computing kpt #: 35 total cpu time spent up to now is 11.6 secs Computing kpt #: 36 total cpu time spent up to now is 12.0 secs Computing kpt #: 37 total cpu time spent up to now is 12.3 secs Computing kpt #: 38 total cpu time spent up to now is 12.7 secs Computing kpt #: 39 total cpu time spent up to now is 13.1 secs Computing kpt #: 40 total cpu time spent up to now is 13.5 secs Computing kpt #: 41 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 14.1 secs Computing kpt #: 42 total cpu time spent up to now is 14.5 secs Computing kpt #: 43 total cpu time spent up to now is 14.9 secs Computing kpt #: 44 total cpu time spent up to now is 15.3 secs Computing kpt #: 45 total cpu time spent up to now is 15.7 secs Computing kpt #: 46 total cpu time spent up to now is 16.1 secs Computing kpt #: 47 total cpu time spent up to now is 16.4 secs Computing kpt #: 48 total cpu time spent up to now is 16.7 secs Computing kpt #: 49 total cpu time spent up to now is 17.0 secs Computing kpt #: 50 total cpu time spent up to now is 17.4 secs Computing kpt #: 51 total cpu time spent up to now is 17.7 secs Computing kpt #: 52 total cpu time spent up to now is 18.0 secs Computing kpt #: 53 total cpu time spent up to now is 18.3 secs Computing kpt #: 54 total cpu time spent up to now is 18.7 secs Computing kpt #: 55 total cpu time spent up to now is 19.0 secs Computing kpt #: 56 total cpu time spent up to now is 19.4 secs Computing kpt #: 57 total cpu time spent up to now is 19.7 secs Computing kpt #: 58 total cpu time spent up to now is 20.0 secs Computing kpt #: 59 total cpu time spent up to now is 20.3 secs Computing kpt #: 60 total cpu time spent up to now is 20.6 secs Computing kpt #: 61 total cpu time spent up to now is 21.0 secs Computing kpt #: 62 total cpu time spent up to now is 21.4 secs Computing kpt #: 63 total cpu time spent up to now is 21.7 secs Computing kpt #: 64 total cpu time spent up to now is 22.1 secs Computing kpt #: 65 total cpu time spent up to now is 22.4 secs Computing kpt #: 66 total cpu time spent up to now is 22.8 secs Computing kpt #: 67 total cpu time spent up to now is 23.1 secs Computing kpt #: 68 total cpu time spent up to now is 23.5 secs Computing kpt #: 69 total cpu time spent up to now is 23.8 secs Computing kpt #: 70 total cpu time spent up to now is 24.2 secs Computing kpt #: 71 total cpu time spent up to now is 24.6 secs Computing kpt #: 72 total cpu time spent up to now is 25.1 secs Computing kpt #: 73 total cpu time spent up to now is 25.5 secs Computing kpt #: 74 total cpu time spent up to now is 26.2 secs Computing kpt #: 75 total cpu time spent up to now is 26.8 secs Computing kpt #: 76 total cpu time spent up to now is 27.3 secs Computing kpt #: 77 total cpu time spent up to now is 27.7 secs Computing kpt #: 78 total cpu time spent up to now is 28.1 secs Computing kpt #: 79 total cpu time spent up to now is 28.4 secs Computing kpt #: 80 total cpu time spent up to now is 28.8 secs Computing kpt #: 81 total cpu time spent up to now is 29.1 secs Computing kpt #: 82 total cpu time spent up to now is 29.5 secs Computing kpt #: 83 total cpu time spent up to now is 29.8 secs Computing kpt #: 84 total cpu time spent up to now is 30.1 secs Computing kpt #: 85 total cpu time spent up to now is 30.4 secs Computing kpt #: 86 total cpu time spent up to now is 30.7 secs Computing kpt #: 87 total cpu time spent up to now is 31.1 secs Computing kpt #: 88 total cpu time spent up to now is 31.4 secs Computing kpt #: 89 total cpu time spent up to now is 31.7 secs Computing kpt #: 90 total cpu time spent up to now is 32.0 secs Computing kpt #: 91 total cpu time spent up to now is 32.4 secs Computing kpt #: 92 total cpu time spent up to now is 32.7 secs Computing kpt #: 93 total cpu time spent up to now is 33.1 secs Computing kpt #: 94 total cpu time spent up to now is 33.4 secs Computing kpt #: 95 total cpu time spent up to now is 33.8 secs Computing kpt #: 96 total cpu time spent up to now is 34.2 secs Computing kpt #: 97 total cpu time spent up to now is 34.5 secs Computing kpt #: 98 total cpu time spent up to now is 34.9 secs Computing kpt #: 99 total cpu time spent up to now is 35.2 secs Computing kpt #: 100 total cpu time spent up to now is 35.6 secs Computing kpt #: 101 total cpu time spent up to now is 35.9 secs Computing kpt #: 102 total cpu time spent up to now is 36.3 secs Computing kpt #: 103 total cpu time spent up to now is 36.6 secs Computing kpt #: 104 total cpu time spent up to now is 37.0 secs Computing kpt #: 105 total cpu time spent up to now is 37.3 secs Computing kpt #: 106 total cpu time spent up to now is 37.6 secs Computing kpt #: 107 total cpu time spent up to now is 38.0 secs Computing kpt #: 108 total cpu time spent up to now is 38.3 secs Computing kpt #: 109 total cpu time spent up to now is 38.6 secs Computing kpt #: 110 total cpu time spent up to now is 39.0 secs Computing kpt #: 111 total cpu time spent up to now is 39.3 secs Computing kpt #: 112 total cpu time spent up to now is 39.6 secs Computing kpt #: 113 total cpu time spent up to now is 39.9 secs Computing kpt #: 114 total cpu time spent up to now is 40.2 secs Computing kpt #: 115 total cpu time spent up to now is 40.5 secs Computing kpt #: 116 total cpu time spent up to now is 40.8 secs Computing kpt #: 117 total cpu time spent up to now is 41.1 secs Computing kpt #: 118 total cpu time spent up to now is 41.4 secs Computing kpt #: 119 total cpu time spent up to now is 41.7 secs Computing kpt #: 120 total cpu time spent up to now is 41.9 secs Computing kpt #: 121 total cpu time spent up to now is 42.2 secs Computing kpt #: 122 total cpu time spent up to now is 42.5 secs Computing kpt #: 123 total cpu time spent up to now is 42.8 secs Computing kpt #: 124 total cpu time spent up to now is 43.1 secs Computing kpt #: 125 total cpu time spent up to now is 43.4 secs Computing kpt #: 126 total cpu time spent up to now is 43.7 secs Computing kpt #: 127 total cpu time spent up to now is 44.0 secs Computing kpt #: 128 total cpu time spent up to now is 44.3 secs Computing kpt #: 129 total cpu time spent up to now is 44.6 secs Computing kpt #: 130 total cpu time spent up to now is 44.9 secs Computing kpt #: 131 total cpu time spent up to now is 45.2 secs Computing kpt #: 132 total cpu time spent up to now is 45.4 secs Computing kpt #: 133 total cpu time spent up to now is 45.7 secs Computing kpt #: 134 total cpu time spent up to now is 46.0 secs Computing kpt #: 135 total cpu time spent up to now is 46.3 secs Computing kpt #: 136 total cpu time spent up to now is 46.6 secs Computing kpt #: 137 total cpu time spent up to now is 47.0 secs Computing kpt #: 138 total cpu time spent up to now is 47.3 secs Computing kpt #: 139 total cpu time spent up to now is 47.6 secs Computing kpt #: 140 total cpu time spent up to now is 47.9 secs Computing kpt #: 141 total cpu time spent up to now is 48.2 secs Computing kpt #: 142 total cpu time spent up to now is 48.5 secs Computing kpt #: 143 total cpu time spent up to now is 48.8 secs Computing kpt #: 144 total cpu time spent up to now is 49.2 secs Computing kpt #: 145 total cpu time spent up to now is 49.5 secs Computing kpt #: 146 total cpu time spent up to now is 49.8 secs Computing kpt #: 147 total cpu time spent up to now is 50.1 secs Computing kpt #: 148 total cpu time spent up to now is 50.4 secs Computing kpt #: 149 total cpu time spent up to now is 50.8 secs Computing kpt #: 150 total cpu time spent up to now is 51.1 secs Computing kpt #: 151 total cpu time spent up to now is 51.4 secs Computing kpt #: 152 total cpu time spent up to now is 51.7 secs Computing kpt #: 153 total cpu time spent up to now is 52.0 secs Computing kpt #: 154 total cpu time spent up to now is 52.3 secs Computing kpt #: 155 total cpu time spent up to now is 52.7 secs Computing kpt #: 156 total cpu time spent up to now is 53.0 secs Computing kpt #: 157 total cpu time spent up to now is 53.3 secs Computing kpt #: 158 total cpu time spent up to now is 53.6 secs Computing kpt #: 159 total cpu time spent up to now is 53.9 secs Computing kpt #: 160 total cpu time spent up to now is 54.2 secs Computing kpt #: 161 total cpu time spent up to now is 54.5 secs Computing kpt #: 162 total cpu time spent up to now is 54.9 secs Computing kpt #: 163 total cpu time spent up to now is 55.2 secs Computing kpt #: 164 total cpu time spent up to now is 55.5 secs Computing kpt #: 165 total cpu time spent up to now is 55.8 secs Computing kpt #: 166 total cpu time spent up to now is 56.1 secs Computing kpt #: 167 total cpu time spent up to now is 56.4 secs Computing kpt #: 168 total cpu time spent up to now is 56.8 secs Computing kpt #: 169 total cpu time spent up to now is 57.1 secs Computing kpt #: 170 total cpu time spent up to now is 57.4 secs Computing kpt #: 171 total cpu time spent up to now is 57.7 secs Computing kpt #: 172 total cpu time spent up to now is 58.0 secs Computing kpt #: 173 total cpu time spent up to now is 58.3 secs Computing kpt #: 174 total cpu time spent up to now is 58.6 secs Computing kpt #: 175 total cpu time spent up to now is 58.9 secs Computing kpt #: 176 total cpu time spent up to now is 59.2 secs Computing kpt #: 177 total cpu time spent up to now is 59.5 secs Computing kpt #: 178 total cpu time spent up to now is 59.8 secs Computing kpt #: 179 total cpu time spent up to now is 60.1 secs Computing kpt #: 180 total cpu time spent up to now is 60.4 secs Computing kpt #: 181 total cpu time spent up to now is 60.7 secs Computing kpt #: 182 total cpu time spent up to now is 61.0 secs Computing kpt #: 183 total cpu time spent up to now is 61.2 secs Computing kpt #: 184 total cpu time spent up to now is 61.5 secs Computing kpt #: 185 total cpu time spent up to now is 61.8 secs Computing kpt #: 186 total cpu time spent up to now is 62.1 secs Computing kpt #: 187 total cpu time spent up to now is 62.3 secs Computing kpt #: 188 total cpu time spent up to now is 62.6 secs Computing kpt #: 189 total cpu time spent up to now is 62.8 secs Computing kpt #: 190 total cpu time spent up to now is 63.1 secs Computing kpt #: 191 total cpu time spent up to now is 63.3 secs Computing kpt #: 192 total cpu time spent up to now is 63.6 secs Computing kpt #: 193 total cpu time spent up to now is 63.8 secs Computing kpt #: 194 total cpu time spent up to now is 64.1 secs Computing kpt #: 195 total cpu time spent up to now is 64.4 secs Computing kpt #: 196 total cpu time spent up to now is 64.6 secs Computing kpt #: 197 total cpu time spent up to now is 64.8 secs Computing kpt #: 198 total cpu time spent up to now is 65.1 secs Computing kpt #: 199 total cpu time spent up to now is 65.3 secs Computing kpt #: 200 total cpu time spent up to now is 65.6 secs Computing kpt #: 201 total cpu time spent up to now is 65.8 secs Computing kpt #: 202 total cpu time spent up to now is 66.1 secs Computing kpt #: 203 total cpu time spent up to now is 66.3 secs Computing kpt #: 204 total cpu time spent up to now is 66.5 secs Computing kpt #: 205 total cpu time spent up to now is 66.8 secs Computing kpt #: 206 total cpu time spent up to now is 67.0 secs Computing kpt #: 207 total cpu time spent up to now is 67.3 secs Computing kpt #: 208 total cpu time spent up to now is 67.5 secs Computing kpt #: 209 total cpu time spent up to now is 67.8 secs Computing kpt #: 210 total cpu time spent up to now is 68.0 secs Computing kpt #: 211 total cpu time spent up to now is 68.2 secs Computing kpt #: 212 total cpu time spent up to now is 68.5 secs Computing kpt #: 213 total cpu time spent up to now is 68.7 secs Computing kpt #: 214 total cpu time spent up to now is 68.9 secs Computing kpt #: 215 total cpu time spent up to now is 69.1 secs Computing kpt #: 216 total cpu time spent up to now is 69.4 secs Computing kpt #: 217 total cpu time spent up to now is 69.6 secs Computing kpt #: 218 total cpu time spent up to now is 69.9 secs Computing kpt #: 219 total cpu time spent up to now is 70.1 secs Computing kpt #: 220 total cpu time spent up to now is 70.3 secs Computing kpt #: 221 total cpu time spent up to now is 70.6 secs Computing kpt #: 222 total cpu time spent up to now is 70.8 secs Computing kpt #: 223 total cpu time spent up to now is 71.1 secs Computing kpt #: 224 total cpu time spent up to now is 71.3 secs Computing kpt #: 225 total cpu time spent up to now is 71.5 secs Computing kpt #: 226 total cpu time spent up to now is 71.8 secs Computing kpt #: 227 total cpu time spent up to now is 72.0 secs Computing kpt #: 228 total cpu time spent up to now is 72.3 secs Computing kpt #: 229 total cpu time spent up to now is 72.5 secs Computing kpt #: 230 total cpu time spent up to now is 72.8 secs Computing kpt #: 231 total cpu time spent up to now is 73.0 secs Computing kpt #: 232 total cpu time spent up to now is 73.2 secs Computing kpt #: 233 total cpu time spent up to now is 73.5 secs Computing kpt #: 234 total cpu time spent up to now is 73.7 secs Computing kpt #: 235 total cpu time spent up to now is 74.0 secs Computing kpt #: 236 total cpu time spent up to now is 74.2 secs Computing kpt #: 237 total cpu time spent up to now is 74.5 secs Computing kpt #: 238 total cpu time spent up to now is 74.7 secs Computing kpt #: 239 total cpu time spent up to now is 75.0 secs Computing kpt #: 240 total cpu time spent up to now is 75.2 secs Computing kpt #: 241 total cpu time spent up to now is 75.5 secs Computing kpt #: 242 total cpu time spent up to now is 75.7 secs Computing kpt #: 243 total cpu time spent up to now is 76.0 secs Computing kpt #: 244 total cpu time spent up to now is 76.2 secs Computing kpt #: 245 total cpu time spent up to now is 76.5 secs Computing kpt #: 246 total cpu time spent up to now is 76.7 secs Computing kpt #: 247 total cpu time spent up to now is 77.0 secs Computing kpt #: 248 total cpu time spent up to now is 77.3 secs Computing kpt #: 249 total cpu time spent up to now is 77.5 secs Computing kpt #: 250 total cpu time spent up to now is 77.8 secs Computing kpt #: 251 total cpu time spent up to now is 78.1 secs Computing kpt #: 252 total cpu time spent up to now is 78.3 secs Computing kpt #: 253 total cpu time spent up to now is 78.6 secs Computing kpt #: 254 total cpu time spent up to now is 78.8 secs Computing kpt #: 255 total cpu time spent up to now is 79.1 secs Computing kpt #: 256 total cpu time spent up to now is 79.3 secs Computing kpt #: 257 total cpu time spent up to now is 79.6 secs Computing kpt #: 258 total cpu time spent up to now is 79.9 secs Computing kpt #: 259 total cpu time spent up to now is 80.1 secs Computing kpt #: 260 total cpu time spent up to now is 80.4 secs Computing kpt #: 261 total cpu time spent up to now is 80.6 secs Computing kpt #: 262 total cpu time spent up to now is 80.9 secs Computing kpt #: 263 total cpu time spent up to now is 81.2 secs Computing kpt #: 264 total cpu time spent up to now is 81.4 secs Computing kpt #: 265 total cpu time spent up to now is 81.7 secs Computing kpt #: 266 total cpu time spent up to now is 82.0 secs Computing kpt #: 267 total cpu time spent up to now is 82.2 secs Computing kpt #: 268 total cpu time spent up to now is 82.5 secs Computing kpt #: 269 total cpu time spent up to now is 82.7 secs Computing kpt #: 270 total cpu time spent up to now is 83.0 secs Computing kpt #: 271 total cpu time spent up to now is 83.2 secs Computing kpt #: 272 total cpu time spent up to now is 83.5 secs Computing kpt #: 273 total cpu time spent up to now is 83.8 secs Computing kpt #: 274 total cpu time spent up to now is 84.0 secs Computing kpt #: 275 total cpu time spent up to now is 84.3 secs Computing kpt #: 276 total cpu time spent up to now is 84.6 secs Computing kpt #: 277 total cpu time spent up to now is 84.8 secs Computing kpt #: 278 total cpu time spent up to now is 85.1 secs Computing kpt #: 279 total cpu time spent up to now is 85.4 secs Computing kpt #: 280 total cpu time spent up to now is 85.6 secs Computing kpt #: 281 total cpu time spent up to now is 85.9 secs Computing kpt #: 282 total cpu time spent up to now is 86.2 secs Computing kpt #: 283 total cpu time spent up to now is 86.4 secs Computing kpt #: 284 total cpu time spent up to now is 86.7 secs Computing kpt #: 285 total cpu time spent up to now is 87.0 secs Computing kpt #: 286 total cpu time spent up to now is 87.2 secs Computing kpt #: 287 total cpu time spent up to now is 87.5 secs Computing kpt #: 288 total cpu time spent up to now is 87.8 secs Computing kpt #: 289 total cpu time spent up to now is 88.1 secs Computing kpt #: 290 total cpu time spent up to now is 88.3 secs Computing kpt #: 291 total cpu time spent up to now is 88.6 secs Computing kpt #: 292 total cpu time spent up to now is 88.9 secs Computing kpt #: 293 total cpu time spent up to now is 89.2 secs Computing kpt #: 294 total cpu time spent up to now is 89.4 secs Computing kpt #: 295 total cpu time spent up to now is 89.7 secs Computing kpt #: 296 total cpu time spent up to now is 90.0 secs Computing kpt #: 297 total cpu time spent up to now is 90.2 secs Computing kpt #: 298 total cpu time spent up to now is 90.5 secs Computing kpt #: 299 total cpu time spent up to now is 90.8 secs Computing kpt #: 300 total cpu time spent up to now is 91.0 secs Computing kpt #: 301 total cpu time spent up to now is 91.3 secs Computing kpt #: 302 total cpu time spent up to now is 91.6 secs Computing kpt #: 303 total cpu time spent up to now is 91.9 secs Computing kpt #: 304 total cpu time spent up to now is 92.1 secs Computing kpt #: 305 total cpu time spent up to now is 92.4 secs Computing kpt #: 306 total cpu time spent up to now is 92.7 secs Computing kpt #: 307 total cpu time spent up to now is 92.9 secs Computing kpt #: 308 total cpu time spent up to now is 93.2 secs Computing kpt #: 309 total cpu time spent up to now is 93.5 secs Computing kpt #: 310 total cpu time spent up to now is 93.8 secs Computing kpt #: 311 total cpu time spent up to now is 94.0 secs Computing kpt #: 312 total cpu time spent up to now is 94.3 secs Computing kpt #: 313 total cpu time spent up to now is 94.6 secs Computing kpt #: 314 total cpu time spent up to now is 94.9 secs Computing kpt #: 315 total cpu time spent up to now is 95.1 secs Computing kpt #: 316 total cpu time spent up to now is 95.4 secs Computing kpt #: 317 total cpu time spent up to now is 95.7 secs Computing kpt #: 318 total cpu time spent up to now is 96.0 secs Computing kpt #: 319 total cpu time spent up to now is 96.2 secs Computing kpt #: 320 total cpu time spent up to now is 96.5 secs Computing kpt #: 321 total cpu time spent up to now is 96.7 secs Computing kpt #: 322 total cpu time spent up to now is 97.0 secs Computing kpt #: 323 total cpu time spent up to now is 97.3 secs Computing kpt #: 324 total cpu time spent up to now is 97.5 secs Computing kpt #: 325 total cpu time spent up to now is 97.7 secs Computing kpt #: 326 total cpu time spent up to now is 98.0 secs Computing kpt #: 327 total cpu time spent up to now is 98.2 secs Computing kpt #: 328 total cpu time spent up to now is 98.5 secs Computing kpt #: 329 total cpu time spent up to now is 98.7 secs Computing kpt #: 330 total cpu time spent up to now is 98.9 secs Computing kpt #: 331 total cpu time spent up to now is 99.2 secs Computing kpt #: 332 total cpu time spent up to now is 99.4 secs Computing kpt #: 333 total cpu time spent up to now is 99.7 secs Computing kpt #: 334 total cpu time spent up to now is 99.9 secs Computing kpt #: 335 total cpu time spent up to now is 100.2 secs Computing kpt #: 336 total cpu time spent up to now is 100.4 secs Computing kpt #: 337 total cpu time spent up to now is 100.6 secs Computing kpt #: 338 total cpu time spent up to now is 100.9 secs Computing kpt #: 339 total cpu time spent up to now is 101.1 secs Computing kpt #: 340 total cpu time spent up to now is 101.4 secs Computing kpt #: 341 total cpu time spent up to now is 101.6 secs Computing kpt #: 342 total cpu time spent up to now is 101.9 secs Computing kpt #: 343 total cpu time spent up to now is 102.1 secs Computing kpt #: 344 total cpu time spent up to now is 102.4 secs Computing kpt #: 345 total cpu time spent up to now is 102.6 secs Computing kpt #: 346 total cpu time spent up to now is 102.8 secs Computing kpt #: 347 total cpu time spent up to now is 103.1 secs Computing kpt #: 348 total cpu time spent up to now is 103.3 secs Computing kpt #: 349 total cpu time spent up to now is 103.6 secs Computing kpt #: 350 total cpu time spent up to now is 103.8 secs Computing kpt #: 351 total cpu time spent up to now is 104.1 secs Computing kpt #: 352 total cpu time spent up to now is 104.3 secs Computing kpt #: 353 total cpu time spent up to now is 104.6 secs Computing kpt #: 354 total cpu time spent up to now is 104.8 secs Computing kpt #: 355 total cpu time spent up to now is 105.1 secs Computing kpt #: 356 total cpu time spent up to now is 105.3 secs Computing kpt #: 357 total cpu time spent up to now is 105.5 secs Computing kpt #: 358 total cpu time spent up to now is 105.8 secs Computing kpt #: 359 total cpu time spent up to now is 106.0 secs Computing kpt #: 360 total cpu time spent up to now is 106.3 secs Computing kpt #: 361 total cpu time spent up to now is 106.5 secs Computing kpt #: 362 total cpu time spent up to now is 106.7 secs Computing kpt #: 363 total cpu time spent up to now is 107.0 secs Computing kpt #: 364 total cpu time spent up to now is 107.2 secs Computing kpt #: 365 total cpu time spent up to now is 107.5 secs Computing kpt #: 366 total cpu time spent up to now is 107.7 secs Computing kpt #: 367 total cpu time spent up to now is 108.0 secs Computing kpt #: 368 total cpu time spent up to now is 108.2 secs Computing kpt #: 369 total cpu time spent up to now is 108.5 secs Computing kpt #: 370 total cpu time spent up to now is 108.7 secs Computing kpt #: 371 total cpu time spent up to now is 108.9 secs Computing kpt #: 372 total cpu time spent up to now is 109.2 secs Computing kpt #: 373 total cpu time spent up to now is 109.4 secs Computing kpt #: 374 total cpu time spent up to now is 109.6 secs Computing kpt #: 375 total cpu time spent up to now is 109.9 secs Computing kpt #: 376 total cpu time spent up to now is 110.1 secs Computing kpt #: 377 total cpu time spent up to now is 110.4 secs Computing kpt #: 378 total cpu time spent up to now is 110.6 secs Computing kpt #: 379 total cpu time spent up to now is 110.8 secs Computing kpt #: 380 total cpu time spent up to now is 111.1 secs Computing kpt #: 381 total cpu time spent up to now is 111.4 secs Computing kpt #: 382 total cpu time spent up to now is 111.6 secs Computing kpt #: 383 total cpu time spent up to now is 111.9 secs Computing kpt #: 384 total cpu time spent up to now is 112.2 secs Computing kpt #: 385 total cpu time spent up to now is 112.4 secs Computing kpt #: 386 total cpu time spent up to now is 112.7 secs Computing kpt #: 387 total cpu time spent up to now is 113.0 secs Computing kpt #: 388 total cpu time spent up to now is 113.2 secs Computing kpt #: 389 total cpu time spent up to now is 113.5 secs Computing kpt #: 390 total cpu time spent up to now is 113.8 secs Computing kpt #: 391 total cpu time spent up to now is 114.1 secs Computing kpt #: 392 total cpu time spent up to now is 114.4 secs Computing kpt #: 393 total cpu time spent up to now is 114.6 secs Computing kpt #: 394 total cpu time spent up to now is 114.9 secs Computing kpt #: 395 total cpu time spent up to now is 115.2 secs Computing kpt #: 396 total cpu time spent up to now is 115.5 secs Computing kpt #: 397 total cpu time spent up to now is 115.8 secs Computing kpt #: 398 total cpu time spent up to now is 116.1 secs Computing kpt #: 399 total cpu time spent up to now is 116.5 secs Computing kpt #: 400 total cpu time spent up to now is 116.8 secs Computing kpt #: 401 total cpu time spent up to now is 117.2 secs Computing kpt #: 402 total cpu time spent up to now is 117.5 secs Computing kpt #: 403 total cpu time spent up to now is 117.9 secs Computing kpt #: 404 total cpu time spent up to now is 118.2 secs Computing kpt #: 405 total cpu time spent up to now is 118.6 secs Computing kpt #: 406 total cpu time spent up to now is 119.0 secs Computing kpt #: 407 total cpu time spent up to now is 119.5 secs Computing kpt #: 408 total cpu time spent up to now is 119.8 secs Computing kpt #: 409 total cpu time spent up to now is 120.2 secs Computing kpt #: 410 total cpu time spent up to now is 120.6 secs Computing kpt #: 411 total cpu time spent up to now is 120.9 secs Computing kpt #: 412 total cpu time spent up to now is 121.2 secs Computing kpt #: 413 total cpu time spent up to now is 121.5 secs Computing kpt #: 414 total cpu time spent up to now is 121.9 secs Computing kpt #: 415 total cpu time spent up to now is 122.2 secs Computing kpt #: 416 total cpu time spent up to now is 122.6 secs Computing kpt #: 417 total cpu time spent up to now is 122.9 secs Computing kpt #: 418 total cpu time spent up to now is 123.3 secs Computing kpt #: 419 total cpu time spent up to now is 123.7 secs Computing kpt #: 420 total cpu time spent up to now is 124.1 secs Computing kpt #: 421 total cpu time spent up to now is 124.5 secs Computing kpt #: 422 total cpu time spent up to now is 125.0 secs Computing kpt #: 423 total cpu time spent up to now is 125.5 secs Computing kpt #: 424 total cpu time spent up to now is 125.8 secs Computing kpt #: 425 total cpu time spent up to now is 126.2 secs Computing kpt #: 426 total cpu time spent up to now is 126.5 secs Computing kpt #: 427 total cpu time spent up to now is 126.9 secs Computing kpt #: 428 total cpu time spent up to now is 127.2 secs Computing kpt #: 429 total cpu time spent up to now is 127.5 secs Computing kpt #: 430 total cpu time spent up to now is 127.8 secs Computing kpt #: 431 total cpu time spent up to now is 128.2 secs Computing kpt #: 432 total cpu time spent up to now is 128.5 secs Computing kpt #: 433 total cpu time spent up to now is 128.8 secs Computing kpt #: 434 total cpu time spent up to now is 129.1 secs Computing kpt #: 435 total cpu time spent up to now is 129.4 secs Computing kpt #: 436 total cpu time spent up to now is 129.7 secs Computing kpt #: 437 total cpu time spent up to now is 130.0 secs Computing kpt #: 438 total cpu time spent up to now is 130.3 secs Computing kpt #: 439 total cpu time spent up to now is 130.6 secs Computing kpt #: 440 total cpu time spent up to now is 130.8 secs Computing kpt #: 441 total cpu time spent up to now is 131.1 secs Computing kpt #: 442 total cpu time spent up to now is 131.4 secs Computing kpt #: 443 total cpu time spent up to now is 131.7 secs Computing kpt #: 444 total cpu time spent up to now is 131.9 secs Computing kpt #: 445 total cpu time spent up to now is 132.2 secs Computing kpt #: 446 total cpu time spent up to now is 132.5 secs Computing kpt #: 447 total cpu time spent up to now is 132.7 secs Computing kpt #: 448 total cpu time spent up to now is 133.0 secs Computing kpt #: 449 total cpu time spent up to now is 133.3 secs ethr = 4.17E-08, avg # of iterations = 32.9 total cpu time spent up to now is 133.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2863 PWs) bands (ev): -43.5709 -43.5709 -43.4432 -43.4432 -20.3234 -20.3234 -19.9032 -19.9032 -19.5920 -19.5920 -19.3134 -19.3134 -19.2484 -19.2484 -19.2168 -19.2168 7.1305 7.1305 10.6428 10.6428 13.9677 13.9677 14.0553 14.0553 14.0901 14.0901 14.1523 14.1523 14.5375 14.5375 14.5758 14.5758 k = 0.0081 0.0047-0.0000 ( 2863 PWs) bands (ev): -43.5708 -43.5708 -43.4432 -43.4432 -20.3234 -20.3234 -19.9033 -19.9033 -19.5921 -19.5921 -19.3136 -19.3136 -19.2485 -19.2485 -19.2170 -19.2170 7.1324 7.1324 10.6442 10.6442 13.9640 13.9640 14.0504 14.0504 14.0854 14.0854 14.1623 14.1623 14.5375 14.5375 14.5759 14.5759 k = 0.0161 0.0093-0.0000 ( 2863 PWs) bands (ev): -43.5706 -43.5706 -43.4431 -43.4431 -20.3231 -20.3231 -19.9037 -19.9037 -19.5924 -19.5924 -19.3141 -19.3141 -19.2487 -19.2487 -19.2176 -19.2176 7.1378 7.1378 10.6486 10.6486 13.9530 13.9530 14.0334 14.0334 14.0827 14.0827 14.1837 14.1837 14.5373 14.5373 14.5766 14.5766 k = 0.0242 0.0140-0.0000 ( 2859 PWs) bands (ev): -43.5703 -43.5703 -43.4430 -43.4430 -20.3228 -20.3228 -19.9044 -19.9044 -19.5929 -19.5929 -19.3150 -19.3150 -19.2492 -19.2492 -19.2186 -19.2186 7.1469 7.1469 10.6559 10.6559 13.9349 13.9349 14.0074 14.0074 14.0865 14.0865 14.2085 14.2085 14.5360 14.5360 14.5788 14.5788 k = 0.0323 0.0186-0.0000 ( 2855 PWs) bands (ev): -43.5699 -43.5699 -43.4428 -43.4428 -20.3223 -20.3223 -19.9054 -19.9054 -19.5936 -19.5936 -19.3163 -19.3163 -19.2499 -19.2499 -19.2199 -19.2199 7.1595 7.1595 10.6660 10.6660 13.9101 13.9101 13.9773 13.9773 14.0943 14.0943 14.2344 14.2344 14.5325 14.5325 14.5835 14.5835 k = 0.0403 0.0233-0.0000 ( 2855 PWs) bands (ev): -43.5694 -43.5694 -43.4426 -43.4426 -20.3217 -20.3217 -19.9067 -19.9067 -19.5945 -19.5945 -19.3178 -19.3178 -19.2509 -19.2509 -19.2215 -19.2215 7.1758 7.1758 10.6790 10.6790 13.8790 13.8790 13.9449 13.9449 14.1053 14.1053 14.2606 14.2606 14.5265 14.5265 14.5913 14.5913 k = 0.0484 0.0279-0.0000 ( 2865 PWs) bands (ev): -43.5687 -43.5687 -43.4423 -43.4423 -20.3209 -20.3209 -19.9083 -19.9083 -19.5955 -19.5955 -19.3197 -19.3197 -19.2521 -19.2521 -19.2235 -19.2235 7.1957 7.1957 10.6948 10.6948 13.8421 13.8421 13.9108 13.9108 14.1190 14.1190 14.2868 14.2868 14.5181 14.5181 14.6020 14.6020 k = 0.0565 0.0326-0.0000 ( 2865 PWs) bands (ev): -43.5679 -43.5679 -43.4420 -43.4420 -20.3201 -20.3201 -19.9101 -19.9101 -19.5968 -19.5968 -19.3219 -19.3219 -19.2535 -19.2535 -19.2257 -19.2257 7.2191 7.2191 10.7134 10.7134 13.8000 13.8000 13.8753 13.8753 14.1353 14.1353 14.3127 14.3127 14.5078 14.5078 14.6155 14.6155 k = 0.0645 0.0372-0.0000 ( 2867 PWs) bands (ev): -43.5670 -43.5670 -43.4416 -43.4416 -20.3190 -20.3190 -19.9123 -19.9123 -19.5982 -19.5982 -19.3245 -19.3245 -19.2554 -19.2554 -19.2281 -19.2281 7.2460 7.2460 10.7346 10.7346 13.7534 13.7534 13.8384 13.8384 14.1542 14.1542 14.3380 14.3380 14.4962 14.4962 14.6315 14.6315 k = 0.0726 0.0419-0.0000 ( 2867 PWs) bands (ev): -43.5660 -43.5660 -43.4412 -43.4412 -20.3179 -20.3179 -19.9147 -19.9147 -19.5998 -19.5998 -19.3273 -19.3273 -19.2576 -19.2576 -19.2306 -19.2306 7.2765 7.2765 10.7584 10.7584 13.7028 13.7028 13.8002 13.8002 14.1755 14.1755 14.3619 14.3619 14.4846 14.4846 14.6499 14.6499 k = 0.0806 0.0466-0.0000 ( 2867 PWs) bands (ev): -43.5648 -43.5648 -43.4408 -43.4408 -20.3167 -20.3167 -19.9174 -19.9174 -19.6016 -19.6016 -19.3304 -19.3304 -19.2603 -19.2603 -19.2332 -19.2332 7.3104 7.3104 10.7847 10.7847 13.6488 13.6488 13.7609 13.7609 14.1993 14.1993 14.3821 14.3821 14.4753 14.4753 14.6704 14.6704 k = 0.0887 0.0512-0.0000 ( 2859 PWs) bands (ev): -43.5636 -43.5636 -43.4403 -43.4403 -20.3153 -20.3153 -19.9203 -19.9203 -19.6035 -19.6035 -19.3337 -19.3337 -19.2634 -19.2634 -19.2359 -19.2359 7.3477 7.3477 10.8135 10.8135 13.5920 13.5920 13.7205 13.7205 14.2256 14.2256 14.3931 14.3931 14.4740 14.4740 14.6929 14.6929 k = 0.0968 0.0559-0.0000 ( 2863 PWs) bands (ev): -43.5622 -43.5622 -43.4398 -43.4398 -20.3139 -20.3139 -19.9236 -19.9236 -19.6057 -19.6057 -19.3373 -19.3373 -19.2671 -19.2671 -19.2384 -19.2384 7.3884 7.3884 10.8445 10.8445 13.5328 13.5328 13.6791 13.6791 14.2542 14.2542 14.3901 14.3901 14.4859 14.4859 14.7167 14.7167 k = 0.1048 0.0605-0.0000 ( 2857 PWs) bands (ev): -43.5608 -43.5608 -43.4392 -43.4392 -20.3123 -20.3123 -19.9271 -19.9271 -19.6079 -19.6079 -19.3412 -19.3412 -19.2714 -19.2714 -19.2409 -19.2409 7.4324 7.4324 10.8777 10.8777 13.4718 13.4718 13.6367 13.6367 14.2851 14.2851 14.3766 14.3766 14.5077 14.5077 14.7319 14.7319 k = 0.1129 0.0652-0.0000 ( 2861 PWs) bands (ev): -43.5592 -43.5592 -43.4386 -43.4386 -20.3107 -20.3107 -19.9309 -19.9309 -19.6103 -19.6103 -19.3452 -19.3452 -19.2762 -19.2762 -19.2434 -19.2434 7.4798 7.4798 10.9129 10.9129 13.4093 13.4093 13.5935 13.5935 14.3183 14.3183 14.3581 14.3581 14.5340 14.5340 14.7132 14.7132 k = 0.1210 0.0698-0.0000 ( 2857 PWs) bands (ev): -43.5576 -43.5576 -43.4380 -43.4380 -20.3090 -20.3090 -19.9349 -19.9349 -19.6129 -19.6129 -19.3494 -19.3494 -19.2814 -19.2814 -19.2457 -19.2457 7.5303 7.5303 10.9499 10.9499 13.3458 13.3458 13.5495 13.5495 14.3356 14.3356 14.3548 14.3548 14.5626 14.5626 14.6927 14.6927 k = 0.1290 0.0745-0.0000 ( 2862 PWs) bands (ev): -43.5558 -43.5558 -43.4373 -43.4373 -20.3072 -20.3072 -19.9393 -19.9393 -19.6155 -19.6155 -19.3538 -19.3538 -19.2872 -19.2872 -19.2480 -19.2480 7.5840 7.5840 10.9886 10.9886 13.2815 13.2815 13.5050 13.5050 14.3130 14.3130 14.3921 14.3921 14.5916 14.5916 14.6721 14.6721 k = 0.1371 0.0792-0.0000 ( 2858 PWs) bands (ev): -43.5540 -43.5540 -43.4366 -43.4366 -20.3053 -20.3053 -19.9439 -19.9439 -19.6183 -19.6183 -19.3584 -19.3584 -19.2933 -19.2933 -19.2503 -19.2503 7.6408 7.6408 11.0288 11.0288 13.2167 13.2167 13.4601 13.4601 14.2889 14.2889 14.4321 14.4321 14.6153 14.6153 14.6549 14.6549 k = 0.1452 0.0838-0.0000 ( 2860 PWs) bands (ev): -43.5520 -43.5520 -43.4359 -43.4359 -20.3034 -20.3034 -19.9487 -19.9487 -19.6212 -19.6212 -19.3631 -19.3631 -19.2998 -19.2998 -19.2525 -19.2525 7.7006 7.7006 11.0702 11.0702 13.1517 13.1517 13.4148 13.4148 14.2640 14.2640 14.4741 14.4741 14.6116 14.6116 14.6363 14.6363 k = 0.1532 0.0885-0.0000 ( 2858 PWs) bands (ev): -43.5500 -43.5500 -43.4351 -43.4351 -20.3015 -20.3015 -19.9538 -19.9538 -19.6242 -19.6242 -19.3679 -19.3679 -19.3067 -19.3067 -19.2548 -19.2548 7.7633 7.7633 11.1127 11.1127 13.0867 13.0867 13.3694 13.3694 14.2388 14.2388 14.5182 14.5182 14.5902 14.5902 14.6137 14.6137 k = 0.1613 0.0931-0.0000 ( 2862 PWs) bands (ev): -43.5479 -43.5479 -43.4344 -43.4344 -20.2995 -20.2995 -19.9592 -19.9592 -19.6272 -19.6272 -19.3727 -19.3727 -19.3139 -19.3139 -19.2571 -19.2571 7.8289 7.8289 11.1558 11.1558 13.0219 13.0219 13.3241 13.3241 14.2133 14.2133 14.5604 14.5604 14.5691 14.5691 14.5907 14.5907 k = 0.1694 0.0978-0.0000 ( 2868 PWs) bands (ev): -43.5457 -43.5457 -43.4336 -43.4336 -20.2975 -20.2975 -19.9648 -19.9648 -19.6303 -19.6303 -19.3777 -19.3777 -19.3213 -19.3213 -19.2594 -19.2594 7.8972 7.8972 11.1994 11.1994 12.9575 12.9575 13.2790 13.2790 14.1880 14.1880 14.5382 14.5382 14.5674 14.5674 14.6131 14.6131 k = 0.1774 0.1024-0.0000 ( 2868 PWs) bands (ev): -43.5435 -43.5435 -43.4328 -43.4328 -20.2954 -20.2954 -19.9706 -19.9706 -19.6335 -19.6335 -19.3827 -19.3827 -19.3290 -19.3290 -19.2617 -19.2617 7.9683 7.9683 11.2431 11.2431 12.8935 12.8935 13.2343 13.2343 14.1631 14.1631 14.5113 14.5113 14.5439 14.5439 14.6630 14.6630 k = 0.1855 0.1071-0.0000 ( 2866 PWs) bands (ev): -43.5411 -43.5411 -43.4320 -43.4320 -20.2934 -20.2934 -19.9766 -19.9766 -19.6367 -19.6367 -19.3877 -19.3877 -19.3368 -19.3368 -19.2641 -19.2641 8.0419 8.0419 11.2865 11.2865 12.8302 12.8302 13.1903 13.1903 14.1388 14.1388 14.4838 14.4838 14.5203 14.5203 14.7148 14.7148 k = 0.1935 0.1117-0.0000 ( 2872 PWs) bands (ev): -43.5388 -43.5388 -43.4312 -43.4312 -20.2914 -20.2914 -19.9829 -19.9829 -19.6398 -19.6398 -19.3928 -19.3928 -19.3448 -19.3448 -19.2665 -19.2665 8.1180 8.1180 11.3293 11.3293 12.7677 12.7677 13.1472 13.1472 14.1153 14.1153 14.4560 14.4560 14.4965 14.4965 14.7684 14.7684 k = 0.2016 0.1164-0.0000 ( 2868 PWs) bands (ev): -43.5363 -43.5363 -43.4304 -43.4304 -20.2894 -20.2894 -19.9894 -19.9894 -19.6430 -19.6430 -19.3979 -19.3979 -19.3530 -19.3530 -19.2689 -19.2689 8.1964 8.1964 11.3711 11.3711 12.7060 12.7060 13.1051 13.1051 14.0931 14.0931 14.4280 14.4280 14.4726 14.4726 14.8236 14.8236 k = 0.2097 0.1211-0.0000 ( 2872 PWs) bands (ev): -43.5338 -43.5338 -43.4296 -43.4296 -20.2874 -20.2874 -19.9961 -19.9961 -19.6462 -19.6462 -19.4029 -19.4029 -19.3613 -19.3613 -19.2714 -19.2714 8.2771 8.2771 11.4114 11.4114 12.6452 12.6452 13.0643 13.0643 14.0722 14.0722 14.4000 14.4000 14.4486 14.4486 14.8804 14.8804 k = 0.2177 0.1257-0.0000 ( 2874 PWs) bands (ev): -43.5313 -43.5313 -43.4288 -43.4288 -20.2855 -20.2855 -20.0029 -20.0029 -19.6493 -19.6493 -19.4080 -19.4080 -19.3696 -19.3696 -19.2739 -19.2739 8.3598 8.3598 11.4497 11.4497 12.5855 12.5855 13.0251 13.0251 14.0530 14.0530 14.3720 14.3720 14.4245 14.4245 14.9386 14.9386 k = 0.2258 0.1304-0.0000 ( 2878 PWs) bands (ev): -43.5287 -43.5287 -43.4280 -43.4280 -20.2836 -20.2836 -20.0100 -20.0100 -19.6523 -19.6523 -19.4130 -19.4130 -19.3781 -19.3781 -19.2765 -19.2765 8.4446 8.4446 11.4857 11.4857 12.5269 12.5269 12.9877 12.9877 14.0358 14.0358 14.3442 14.3442 14.4005 14.4005 14.9981 14.9981 k = 0.2339 0.1350-0.0000 ( 2870 PWs) bands (ev): -43.5261 -43.5261 -43.4272 -43.4272 -20.2818 -20.2818 -20.0171 -20.0171 -19.6553 -19.6553 -19.4179 -19.4179 -19.3866 -19.3866 -19.2791 -19.2791 8.5311 8.5311 11.5189 11.5189 12.4695 12.4695 12.9523 12.9523 14.0209 14.0209 14.3165 14.3165 14.3765 14.3765 15.0589 15.0589 k = 0.2419 0.1397-0.0000 ( 2870 PWs) bands (ev): -43.5234 -43.5234 -43.4265 -43.4265 -20.2800 -20.2800 -20.0245 -20.0245 -19.6581 -19.6581 -19.4228 -19.4228 -19.3951 -19.3951 -19.2818 -19.2818 8.6194 8.6194 11.5488 11.5488 12.4134 12.4134 12.9190 12.9190 14.0085 14.0085 14.2890 14.2890 14.3526 14.3526 15.1208 15.1208 k = 0.2500 0.1443-0.0000 ( 2862 PWs) bands (ev): -43.5207 -43.5207 -43.4257 -43.4257 -20.2783 -20.2783 -20.0319 -20.0319 -19.6608 -19.6608 -19.4276 -19.4276 -19.4036 -19.4036 -19.2844 -19.2844 8.7091 8.7091 11.5750 11.5750 12.3585 12.3585 12.8880 12.8880 13.9988 13.9988 14.2618 14.2618 14.3289 14.3289 15.1836 15.1836 k = 0.2581 0.1490-0.0000 ( 2870 PWs) bands (ev): -43.5180 -43.5180 -43.4250 -43.4250 -20.2767 -20.2767 -20.0395 -20.0395 -19.6634 -19.6634 -19.4323 -19.4323 -19.4121 -19.4121 -19.2871 -19.2871 8.8002 8.8002 11.5972 11.5972 12.3050 12.3050 12.8595 12.8595 13.9920 13.9920 14.2351 14.2351 14.3054 14.3054 15.2473 15.2473 k = 0.2661 0.1536-0.0000 ( 2876 PWs) bands (ev): -43.5153 -43.5153 -43.4242 -43.4242 -20.2751 -20.2751 -20.0472 -20.0472 -19.6658 -19.6658 -19.4369 -19.4369 -19.4205 -19.4205 -19.2898 -19.2898 8.8925 8.8925 11.6151 11.6151 12.2529 12.2529 12.8335 12.8335 13.9884 13.9884 14.2087 14.2087 14.2821 14.2821 15.3116 15.3116 k = 0.2742 0.1583-0.0000 ( 2872 PWs) bands (ev): -43.5126 -43.5126 -43.4235 -43.4235 -20.2737 -20.2737 -20.0549 -20.0549 -19.6680 -19.6680 -19.4414 -19.4414 -19.4289 -19.4289 -19.2925 -19.2925 8.9858 8.9858 11.6286 11.6286 12.2022 12.2022 12.8099 12.8099 13.9880 13.9880 14.1829 14.1829 14.2591 14.2591 15.3763 15.3763 k = 0.2823 0.1630-0.0000 ( 2876 PWs) bands (ev): -43.5099 -43.5099 -43.4229 -43.4229 -20.2723 -20.2723 -20.0627 -20.0627 -19.6701 -19.6701 -19.4459 -19.4459 -19.4372 -19.4372 -19.2953 -19.2953 9.0798 9.0798 11.6375 11.6375 12.1530 12.1530 12.7886 12.7886 13.9909 13.9909 14.1576 14.1576 14.2365 14.2365 15.4414 15.4414 k = 0.2903 0.1676-0.0000 ( 2878 PWs) bands (ev): -43.5071 -43.5071 -43.4223 -43.4223 -20.2710 -20.2710 -20.0706 -20.0706 -19.6719 -19.6719 -19.4503 -19.4503 -19.4454 -19.4454 -19.2980 -19.2980 9.1744 9.1744 11.6421 11.6421 12.1054 12.1054 12.7697 12.7697 13.9971 13.9971 14.1330 14.1330 14.2142 14.2142 15.5068 15.5068 k = 0.2984 0.1723-0.0000 ( 2874 PWs) bands (ev): -43.5044 -43.5044 -43.4217 -43.4217 -20.2698 -20.2698 -20.0784 -20.0784 -19.6735 -19.6735 -19.4550 -19.4550 -19.4530 -19.4530 -19.3007 -19.3007 9.2693 9.2693 11.6424 11.6424 12.0592 12.0592 12.7527 12.7527 14.0062 14.0062 14.1092 14.1092 14.1924 14.1924 15.5725 15.5725 k = 0.3065 0.1769-0.0000 ( 2874 PWs) bands (ev): -43.5017 -43.5017 -43.4211 -43.4211 -20.2687 -20.2687 -20.0863 -20.0863 -19.6749 -19.6749 -19.4621 -19.4621 -19.4580 -19.4580 -19.3034 -19.3034 9.3644 9.3644 11.6388 11.6388 12.0147 12.0147 12.7376 12.7376 14.0179 14.0179 14.0867 14.0867 14.1711 14.1711 15.6386 15.6386 k = 0.3145 0.1816-0.0000 ( 2874 PWs) bands (ev): -43.4990 -43.4990 -43.4206 -43.4206 -20.2677 -20.2677 -20.0941 -20.0941 -19.6760 -19.6760 -19.4700 -19.4700 -19.4620 -19.4620 -19.3061 -19.3061 9.4593 9.4593 11.6316 11.6316 11.9718 11.9718 12.7241 12.7241 14.0298 14.0298 14.0674 14.0674 14.1504 14.1504 15.7048 15.7048 k = 0.3226 0.1862-0.0000 ( 2872 PWs) bands (ev): -43.4964 -43.4964 -43.4201 -43.4201 -20.2667 -20.2667 -20.1019 -20.1019 -19.6769 -19.6769 -19.4777 -19.4777 -19.4658 -19.4658 -19.3087 -19.3087 9.5538 9.5538 11.6212 11.6212 11.9305 11.9305 12.7120 12.7120 14.0297 14.0297 14.0634 14.0634 14.1302 14.1302 15.7705 15.7706 k = 0.3306 0.1909-0.0000 ( 2874 PWs) bands (ev): -43.4938 -43.4938 -43.4197 -43.4197 -20.2658 -20.2658 -20.1096 -20.1096 -19.6776 -19.6776 -19.4854 -19.4854 -19.4694 -19.4694 -19.3114 -19.3114 9.6477 9.6477 11.6080 11.6080 11.8909 11.8909 12.7012 12.7012 14.0133 14.0133 14.0786 14.0786 14.1109 14.1109 15.8354 15.8354 k = 0.3387 0.1956-0.0000 ( 2874 PWs) bands (ev): -43.4912 -43.4912 -43.4193 -43.4193 -20.2650 -20.2650 -20.1173 -20.1173 -19.6780 -19.6780 -19.4929 -19.4929 -19.4729 -19.4729 -19.3139 -19.3139 9.7406 9.7406 11.5925 11.5925 11.8530 11.8530 12.6913 12.6913 13.9939 13.9939 14.0898 14.0898 14.1017 14.1017 15.8989 15.8990 k = 0.3468 0.2002-0.0000 ( 2870 PWs) bands (ev): -43.4886 -43.4886 -43.4189 -43.4189 -20.2642 -20.2642 -20.1248 -20.1248 -19.6781 -19.6781 -19.5003 -19.5003 -19.4762 -19.4762 -19.3164 -19.3164 9.8323 9.8323 11.5749 11.5749 11.8168 11.8168 12.6825 12.6825 13.9746 13.9746 14.0728 14.0728 14.1236 14.1236 15.9609 15.9609 k = 0.3548 0.2049-0.0000 ( 2872 PWs) bands (ev): -43.4862 -43.4862 -43.4186 -43.4186 -20.2635 -20.2635 -20.1322 -20.1322 -19.6780 -19.6780 -19.5075 -19.5075 -19.4794 -19.4794 -19.3189 -19.3189 9.9226 9.9226 11.5558 11.5558 11.7823 11.7823 12.6745 12.6745 13.9559 13.9559 14.0554 14.0554 14.1479 14.1479 16.0212 16.0212 k = 0.3629 0.2095-0.0000 ( 2870 PWs) bands (ev): -43.4837 -43.4837 -43.4183 -43.4183 -20.2627 -20.2627 -20.1394 -20.1394 -19.6777 -19.6777 -19.5145 -19.5145 -19.4824 -19.4824 -19.3213 -19.3213 10.0110 10.0110 11.5354 11.5354 11.7496 11.7496 12.6673 12.6673 13.9379 13.9379 14.0387 14.0387 14.1731 14.1731 16.0795 16.0795 k = 0.3710 0.2142-0.0000 ( 2862 PWs) bands (ev): -43.4814 -43.4814 -43.4181 -43.4181 -20.2621 -20.2621 -20.1465 -20.1465 -19.6771 -19.6771 -19.5213 -19.5213 -19.4853 -19.4853 -19.3236 -19.3236 10.0973 10.0973 11.5141 11.5141 11.7187 11.7187 12.6610 12.6610 13.9208 13.9208 14.0227 14.0227 14.1986 14.1986 16.1356 16.1356 k = 0.3790 0.2188-0.0000 ( 2870 PWs) bands (ev): -43.4791 -43.4791 -43.4180 -43.4180 -20.2614 -20.2614 -20.1533 -20.1533 -19.6763 -19.6763 -19.5280 -19.5280 -19.4879 -19.4879 -19.3258 -19.3258 10.1812 10.1812 11.4920 11.4920 11.6896 11.6896 12.6556 12.6556 13.9045 13.9045 14.0075 14.0075 14.2240 14.2240 16.1892 16.1892 k = 0.3871 0.2235-0.0000 ( 2866 PWs) bands (ev): -43.4769 -43.4769 -43.4178 -43.4178 -20.2607 -20.2607 -20.1600 -20.1600 -19.6753 -19.6753 -19.5344 -19.5344 -19.4905 -19.4905 -19.3279 -19.3279 10.2625 10.2625 11.4694 11.4694 11.6622 11.6622 12.6509 12.6509 13.8892 13.8892 13.9932 13.9932 14.2490 14.2490 16.2401 16.2401 k = 0.3952 0.2281-0.0000 ( 2866 PWs) bands (ev): -43.4748 -43.4748 -43.4178 -43.4178 -20.2600 -20.2600 -20.1665 -20.1665 -19.6741 -19.6741 -19.5407 -19.5407 -19.4928 -19.4928 -19.3300 -19.3300 10.3409 10.3409 11.4464 11.4464 11.6367 11.6367 12.6472 12.6472 13.8748 13.8748 13.9798 13.9798 14.2731 14.2731 16.2881 16.2881 k = 0.4032 0.2328-0.0000 ( 2870 PWs) bands (ev): -43.4728 -43.4728 -43.4177 -43.4177 -20.2592 -20.2592 -20.1726 -20.1726 -19.6727 -19.6727 -19.5467 -19.5467 -19.4950 -19.4950 -19.3319 -19.3319 10.4160 10.4160 11.4232 11.4232 11.6131 11.6131 12.6442 12.6442 13.8614 13.8614 13.9672 13.9672 14.2962 14.2962 16.3331 16.3331 k = 0.4113 0.2375-0.0000 ( 2878 PWs) bands (ev): -43.4709 -43.4709 -43.4177 -43.4177 -20.2584 -20.2584 -20.1786 -20.1786 -19.6711 -19.6711 -19.5524 -19.5524 -19.4971 -19.4971 -19.3337 -19.3337 10.4878 10.4878 11.3998 11.3998 11.5912 11.5912 12.6421 12.6421 13.8490 13.8490 13.9555 13.9555 14.3181 14.3181 16.3748 16.3748 k = 0.4194 0.2421-0.0000 ( 2874 PWs) bands (ev): -43.4691 -43.4691 -43.4177 -43.4177 -20.2575 -20.2575 -20.1842 -20.1842 -19.6694 -19.6694 -19.5579 -19.5579 -19.4989 -19.4989 -19.3353 -19.3353 10.5559 10.5559 11.3764 11.3764 11.5713 11.5713 12.6407 12.6407 13.8377 13.8377 13.9448 13.9448 14.3384 14.3384 16.4131 16.4131 k = 0.4274 0.2468-0.0000 ( 2886 PWs) bands (ev): -43.4675 -43.4675 -43.4178 -43.4178 -20.2566 -20.2566 -20.1895 -20.1895 -19.6676 -19.6676 -19.5631 -19.5631 -19.5006 -19.5006 -19.3369 -19.3369 10.6202 10.6202 11.3529 11.3529 11.5532 11.5532 12.6400 12.6400 13.8273 13.8273 13.9351 13.9351 14.3572 14.3572 16.4481 16.4481 k = 0.4355 0.2514-0.0000 ( 2886 PWs) bands (ev): -43.4660 -43.4660 -43.4178 -43.4178 -20.2557 -20.2557 -20.1945 -20.1945 -19.6657 -19.6657 -19.5680 -19.5680 -19.5021 -19.5021 -19.3383 -19.3383 10.6805 10.6805 11.3295 11.3295 11.5370 11.5370 12.6399 12.6399 13.8180 13.8180 13.9263 13.9263 14.3741 14.3741 16.4795 16.4795 k = 0.4435 0.2561-0.0000 ( 2890 PWs) bands (ev): -43.4646 -43.4646 -43.4179 -43.4179 -20.2546 -20.2546 -20.1992 -20.1992 -19.6638 -19.6638 -19.5726 -19.5726 -19.5035 -19.5035 -19.3395 -19.3395 10.7367 10.7367 11.3061 11.3061 11.5226 11.5226 12.6403 12.6403 13.8098 13.8098 13.9186 13.9186 14.3892 14.3892 16.5073 16.5073 k = 0.4516 0.2607-0.0000 ( 2890 PWs) bands (ev): -43.4634 -43.4634 -43.4180 -43.4180 -20.2536 -20.2536 -20.2034 -20.2034 -19.6619 -19.6619 -19.5768 -19.5768 -19.5046 -19.5046 -19.3406 -19.3406 10.7885 10.7885 11.2828 11.2828 11.5102 11.5102 12.6411 12.6411 13.8027 13.8027 13.9118 13.9118 14.4024 14.4024 16.5315 16.5315 k = 0.4597 0.2654-0.0000 ( 2894 PWs) bands (ev): -43.4623 -43.4623 -43.4181 -43.4181 -20.2525 -20.2525 -20.2072 -20.2072 -19.6601 -19.6601 -19.5805 -19.5805 -19.5056 -19.5056 -19.3415 -19.3415 10.8358 10.8358 11.2599 11.2599 11.4997 11.4997 12.6420 12.6420 13.7966 13.7966 13.9061 13.9061 14.4136 14.4136 16.5521 16.5521 k = 0.4677 0.2701-0.0000 ( 2890 PWs) bands (ev): -43.4615 -43.4615 -43.4182 -43.4182 -20.2514 -20.2514 -20.2105 -20.2105 -19.6584 -19.6584 -19.5837 -19.5837 -19.5064 -19.5064 -19.3423 -19.3423 10.8780 10.8780 11.2376 11.2376 11.4911 11.4911 12.6431 12.6431 13.7916 13.7916 13.9014 13.9014 14.4228 14.4228 16.5689 16.5689 k = 0.4758 0.2747-0.0000 ( 2890 PWs) bands (ev): -43.4608 -43.4608 -43.4183 -43.4183 -20.2504 -20.2504 -20.2133 -20.2133 -19.6570 -19.6570 -19.5863 -19.5863 -19.5071 -19.5071 -19.3429 -19.3429 10.9144 10.9144 11.2168 11.2168 11.4844 11.4844 12.6440 12.6440 13.7877 13.7877 13.8977 13.8977 14.4299 14.4299 16.5821 16.5821 k = 0.4839 0.2794-0.0000 ( 2888 PWs) bands (ev): -43.4603 -43.4603 -43.4183 -43.4183 -20.2496 -20.2496 -20.2153 -20.2153 -19.6560 -19.6560 -19.5882 -19.5882 -19.5075 -19.5075 -19.3433 -19.3433 10.9435 10.9435 11.1988 11.1988 11.4796 11.4796 12.6448 12.6448 13.7850 13.7850 13.8951 13.8951 14.4350 14.4350 16.5915 16.5915 k = 0.4919 0.2840-0.0000 ( 2884 PWs) bands (ev): -43.4600 -43.4600 -43.4184 -43.4184 -20.2491 -20.2491 -20.2166 -20.2166 -19.6553 -19.6553 -19.5894 -19.5894 -19.5078 -19.5078 -19.3436 -19.3436 10.9630 10.9630 11.1859 11.1859 11.4767 11.4767 12.6453 12.6453 13.7833 13.7833 13.8935 13.8935 14.4381 14.4381 16.5972 16.5972 k = 0.5000 0.2887-0.0000 ( 2882 PWs) bands (ev): -43.4599 -43.4599 -43.4184 -43.4184 -20.2489 -20.2489 -20.2171 -20.2171 -19.6550 -19.6550 -19.5898 -19.5898 -19.5079 -19.5079 -19.3437 -19.3437 10.9700 10.9700 11.1812 11.1812 11.4757 11.4757 12.6455 12.6455 13.7827 13.7827 13.8930 13.8930 14.4391 14.4391 16.5990 16.5990 k = 0.5000 0.2887-0.0000 ( 2882 PWs) bands (ev): -43.4599 -43.4599 -43.4184 -43.4184 -20.2489 -20.2489 -20.2171 -20.2171 -19.6550 -19.6550 -19.5898 -19.5898 -19.5079 -19.5079 -19.3437 -19.3437 10.9700 10.9700 11.1812 11.1812 11.4757 11.4757 12.6455 12.6455 13.7827 13.7827 13.8930 13.8930 14.4391 14.4391 16.5990 16.5990 k = 0.4954 0.2967-0.0000 ( 2884 PWs) bands (ev): -43.4599 -43.4599 -43.4184 -43.4184 -20.2489 -20.2489 -20.2170 -20.2170 -19.6549 -19.6549 -19.5899 -19.5899 -19.5080 -19.5080 -19.3439 -19.3439 10.9713 10.9713 11.1825 11.1825 11.4761 11.4761 12.6445 12.6445 13.7819 13.7819 13.8926 13.8926 14.4394 14.4394 16.5992 16.5992 k = 0.4907 0.3047-0.0000 ( 2884 PWs) bands (ev): -43.4598 -43.4598 -43.4184 -43.4184 -20.2488 -20.2488 -20.2170 -20.2170 -19.6546 -19.6546 -19.5900 -19.5900 -19.5085 -19.5085 -19.3445 -19.3445 10.9754 10.9754 11.1865 11.1865 11.4771 11.4771 12.6414 12.6414 13.7796 13.7796 13.8914 13.8914 14.4404 14.4404 16.5999 16.5999 k = 0.4861 0.3127-0.0000 ( 2886 PWs) bands (ev): -43.4596 -43.4596 -43.4184 -43.4184 -20.2486 -20.2486 -20.2169 -20.2169 -19.6541 -19.6541 -19.5901 -19.5901 -19.5092 -19.5092 -19.3455 -19.3455 10.9820 10.9820 11.1930 11.1930 11.4788 11.4788 12.6362 12.6362 13.7757 13.7757 13.8894 13.8894 14.4420 14.4420 16.6008 16.6008 k = 0.4815 0.3208-0.0000 ( 2890 PWs) bands (ev): -43.4594 -43.4594 -43.4184 -43.4184 -20.2484 -20.2484 -20.2167 -20.2167 -19.6534 -19.6534 -19.5903 -19.5903 -19.5101 -19.5101 -19.3469 -19.3469 10.9913 10.9913 11.2022 11.2022 11.4812 11.4812 12.6291 12.6291 13.7703 13.7703 13.8867 13.8867 14.4443 14.4443 16.6021 16.6021 k = 0.4769 0.3288-0.0000 ( 2886 PWs) bands (ev): -43.4591 -43.4591 -43.4185 -43.4185 -20.2481 -20.2481 -20.2165 -20.2165 -19.6525 -19.6525 -19.5906 -19.5906 -19.5114 -19.5114 -19.3487 -19.3487 11.0032 11.0032 11.2138 11.2138 11.4843 11.4843 12.6200 12.6200 13.7634 13.7634 13.8831 13.8831 14.4473 14.4473 16.6036 16.6036 k = 0.4722 0.3368-0.0000 ( 2882 PWs) bands (ev): -43.4588 -43.4588 -43.4185 -43.4185 -20.2478 -20.2478 -20.2163 -20.2163 -19.6513 -19.6513 -19.5909 -19.5909 -19.5129 -19.5129 -19.3509 -19.3509 11.0176 11.0176 11.2280 11.2280 11.4880 11.4880 12.6090 12.6090 13.7552 13.7552 13.8788 13.8788 14.4509 14.4509 16.6052 16.6052 k = 0.4676 0.3448-0.0000 ( 2878 PWs) bands (ev): -43.4584 -43.4584 -43.4185 -43.4185 -20.2473 -20.2473 -20.2161 -20.2161 -19.6500 -19.6500 -19.5913 -19.5913 -19.5146 -19.5146 -19.3535 -19.3535 11.0344 11.0344 11.2446 11.2446 11.4923 11.4923 12.5962 12.5962 13.7456 13.7456 13.8738 13.8738 14.4552 14.4552 16.6067 16.6067 k = 0.4630 0.3528-0.0000 ( 2878 PWs) bands (ev): -43.4579 -43.4579 -43.4186 -43.4186 -20.2469 -20.2469 -20.2158 -20.2158 -19.6485 -19.6485 -19.5918 -19.5918 -19.5166 -19.5166 -19.3564 -19.3564 11.0536 11.0536 11.2635 11.2635 11.4972 11.4972 12.5818 12.5818 13.7348 13.7348 13.8679 13.8679 14.4601 14.4601 16.6081 16.6081 k = 0.4583 0.3608-0.0000 ( 2878 PWs) bands (ev): -43.4574 -43.4574 -43.4187 -43.4187 -20.2464 -20.2464 -20.2155 -20.2155 -19.6468 -19.6468 -19.5922 -19.5922 -19.5188 -19.5188 -19.3597 -19.3597 11.0751 11.0751 11.2846 11.2846 11.5026 11.5026 12.5657 12.5657 13.7228 13.7228 13.8613 13.8613 14.4658 14.4658 16.6091 16.6092 k = 0.4537 0.3689-0.0000 ( 2880 PWs) bands (ev): -43.4568 -43.4568 -43.4187 -43.4187 -20.2458 -20.2458 -20.2152 -20.2152 -19.6449 -19.6449 -19.5928 -19.5928 -19.5211 -19.5211 -19.3634 -19.3634 11.0987 11.0987 11.3078 11.3078 11.5085 11.5085 12.5481 12.5481 13.7099 13.7099 13.8540 13.8540 14.4722 14.4722 16.6093 16.6094 k = 0.4491 0.3769-0.0000 ( 2880 PWs) bands (ev): -43.4562 -43.4562 -43.4188 -43.4188 -20.2452 -20.2452 -20.2148 -20.2148 -19.6429 -19.6429 -19.5933 -19.5933 -19.5237 -19.5237 -19.3673 -19.3673 11.1244 11.1244 11.3331 11.3331 11.5149 11.5149 12.5291 12.5291 13.6960 13.6960 13.8459 13.8459 14.4793 14.4793 16.5930 16.5931 k = 0.4444 0.3849-0.0000 ( 2876 PWs) bands (ev): -43.4555 -43.4555 -43.4189 -43.4189 -20.2445 -20.2445 -20.2145 -20.2145 -19.6407 -19.6407 -19.5939 -19.5939 -19.5264 -19.5264 -19.3716 -19.3716 11.1519 11.1519 11.3602 11.3602 11.5217 11.5217 12.5089 12.5089 13.6815 13.6815 13.8371 13.8371 14.4871 14.4871 16.5607 16.5607 k = 0.4398 0.3929-0.0000 ( 2880 PWs) bands (ev): -43.4548 -43.4548 -43.4190 -43.4190 -20.2439 -20.2439 -20.2141 -20.2141 -19.6383 -19.6383 -19.5945 -19.5945 -19.5293 -19.5293 -19.3762 -19.3762 11.1812 11.1812 11.3890 11.3890 11.5289 11.5289 12.4875 12.4875 13.6663 13.6663 13.8277 13.8277 14.4957 14.4957 16.5277 16.5277 k = 0.4352 0.4009-0.0000 ( 2884 PWs) bands (ev): -43.4540 -43.4540 -43.4192 -43.4192 -20.2431 -20.2431 -20.2138 -20.2138 -19.6358 -19.6358 -19.5950 -19.5950 -19.5323 -19.5323 -19.3810 -19.3810 11.2121 11.2121 11.4193 11.4193 11.5363 11.5363 12.4651 12.4651 13.6506 13.6506 13.8175 13.8175 14.5051 14.5051 16.4948 16.4948 k = 0.4306 0.4090-0.0000 ( 2888 PWs) bands (ev): -43.4532 -43.4532 -43.4193 -43.4193 -20.2424 -20.2424 -20.2135 -20.2135 -19.6332 -19.6332 -19.5956 -19.5956 -19.5353 -19.5353 -19.3861 -19.3861 11.2443 11.2443 11.4510 11.4510 11.5440 11.5440 12.4419 12.4419 13.6347 13.6347 13.8067 13.8067 14.5152 14.5152 16.4624 16.4624 k = 0.4259 0.4170-0.0000 ( 2886 PWs) bands (ev): -43.4523 -43.4523 -43.4195 -43.4195 -20.2416 -20.2416 -20.2132 -20.2132 -19.6305 -19.6305 -19.5961 -19.5961 -19.5385 -19.5385 -19.3914 -19.3914 11.2779 11.2779 11.4839 11.4839 11.5519 11.5519 12.4178 12.4178 13.6186 13.6186 13.7953 13.7953 14.5260 14.5260 16.4309 16.4309 k = 0.4213 0.4250-0.0000 ( 2886 PWs) bands (ev): -43.4514 -43.4514 -43.4197 -43.4197 -20.2408 -20.2408 -20.2129 -20.2129 -19.6278 -19.6278 -19.5966 -19.5966 -19.5416 -19.5416 -19.3969 -19.3969 11.3124 11.3124 11.5178 11.5178 11.5599 11.5599 12.3932 12.3932 13.6026 13.6026 13.7833 13.7833 14.5376 14.5376 16.4004 16.4004 k = 0.4167 0.4330-0.0000 ( 2886 PWs) bands (ev): -43.4504 -43.4504 -43.4199 -43.4199 -20.2400 -20.2400 -20.2126 -20.2126 -19.6250 -19.6250 -19.5969 -19.5969 -19.5448 -19.5448 -19.4026 -19.4026 11.3478 11.3478 11.5523 11.5523 11.5679 11.5679 12.3680 12.3680 13.5868 13.5868 13.7707 13.7707 14.5500 14.5500 16.3713 16.3713 k = 0.4120 0.4410-0.0000 ( 2896 PWs) bands (ev): -43.4494 -43.4494 -43.4202 -43.4202 -20.2392 -20.2392 -20.2124 -20.2124 -19.6224 -19.6224 -19.5970 -19.5970 -19.5479 -19.5479 -19.4085 -19.4085 11.3839 11.3839 11.5756 11.5756 11.5877 11.5877 12.3424 12.3424 13.5714 13.5714 13.7576 13.7576 14.5631 14.5631 16.3439 16.3439 k = 0.4074 0.4491-0.0000 ( 2896 PWs) bands (ev): -43.4484 -43.4484 -43.4205 -43.4205 -20.2383 -20.2383 -20.2123 -20.2123 -19.6200 -19.6200 -19.5968 -19.5968 -19.5510 -19.5510 -19.4145 -19.4145 11.4204 11.4204 11.5835 11.5835 11.6229 11.6229 12.3166 12.3166 13.5565 13.5565 13.7440 13.7440 14.5769 14.5769 16.3182 16.3182 k = 0.4028 0.4571-0.0000 ( 2900 PWs) bands (ev): -43.4474 -43.4474 -43.4208 -43.4208 -20.2375 -20.2375 -20.2122 -20.2122 -19.6178 -19.6178 -19.5962 -19.5962 -19.5539 -19.5539 -19.4206 -19.4206 11.4571 11.4571 11.5911 11.5911 11.6583 11.6583 12.2907 12.2907 13.5424 13.5424 13.7300 13.7300 14.5913 14.5913 16.2947 16.2947 k = 0.3981 0.4651-0.0000 ( 2896 PWs) bands (ev): -43.4463 -43.4463 -43.4211 -43.4211 -20.2366 -20.2366 -20.2121 -20.2121 -19.6162 -19.6162 -19.5951 -19.5951 -19.5567 -19.5567 -19.4269 -19.4269 11.4938 11.4938 11.5985 11.5985 11.6933 11.6933 12.2646 12.2646 13.5292 13.5292 13.7157 13.7157 14.6062 14.6062 16.2734 16.2734 k = 0.3935 0.4731-0.0000 ( 2900 PWs) bands (ev): -43.4452 -43.4452 -43.4215 -43.4215 -20.2358 -20.2358 -20.2121 -20.2121 -19.6150 -19.6150 -19.5934 -19.5934 -19.5593 -19.5593 -19.4332 -19.4332 11.5303 11.5303 11.6055 11.6055 11.7278 11.7278 12.2387 12.2387 13.5171 13.5171 13.7010 13.7010 14.6216 14.6216 16.2546 16.2546 k = 0.3889 0.4811-0.0000 ( 2900 PWs) bands (ev): -43.4441 -43.4441 -43.4219 -43.4219 -20.2350 -20.2350 -20.2122 -20.2122 -19.6144 -19.6144 -19.5912 -19.5912 -19.5616 -19.5616 -19.4395 -19.4395 11.5665 11.5665 11.6121 11.6121 11.7614 11.7614 12.2129 12.2129 13.5062 13.5062 13.6861 13.6861 14.6373 14.6373 16.2385 16.2385 k = 0.3843 0.4891-0.0000 ( 2900 PWs) bands (ev): -43.4430 -43.4430 -43.4224 -43.4224 -20.2341 -20.2341 -20.2124 -20.2124 -19.6142 -19.6142 -19.5887 -19.5887 -19.5636 -19.5636 -19.4458 -19.4458 11.6020 11.6020 11.6183 11.6183 11.7939 11.7939 12.1874 12.1874 13.4967 13.4967 13.6710 13.6710 14.6531 14.6531 16.2252 16.2252 k = 0.3796 0.4972-0.0000 ( 2896 PWs) bands (ev): -43.4419 -43.4419 -43.4229 -43.4229 -20.2333 -20.2333 -20.2126 -20.2126 -19.6143 -19.6143 -19.5862 -19.5862 -19.5651 -19.5651 -19.4521 -19.4521 11.6236 11.6236 11.6371 11.6371 11.8248 11.8248 12.1622 12.1622 13.4887 13.4887 13.6558 13.6558 14.6689 14.6689 16.2150 16.2150 k = 0.3750 0.5052-0.0000 ( 2900 PWs) bands (ev): -43.4407 -43.4407 -43.4234 -43.4234 -20.2324 -20.2324 -20.2130 -20.2130 -19.6146 -19.6146 -19.5838 -19.5838 -19.5658 -19.5658 -19.4583 -19.4583 11.6288 11.6288 11.6709 11.6709 11.8539 11.8539 12.1375 12.1375 13.4824 13.4824 13.6406 13.6406 14.6844 14.6844 16.2080 16.2080 k = 0.3704 0.5132-0.0000 ( 2902 PWs) bands (ev): -43.4396 -43.4396 -43.4240 -43.4240 -20.2316 -20.2316 -20.2134 -20.2134 -19.6150 -19.6150 -19.5821 -19.5821 -19.5656 -19.5656 -19.4644 -19.4644 11.6332 11.6332 11.7036 11.7036 11.8808 11.8808 12.1134 12.1134 13.4778 13.4778 13.6253 13.6253 14.6994 14.6994 16.2043 16.2043 k = 0.3657 0.5212-0.0000 ( 2902 PWs) bands (ev): -43.4384 -43.4384 -43.4246 -43.4246 -20.2308 -20.2308 -20.2138 -20.2138 -19.6155 -19.6155 -19.5812 -19.5812 -19.5642 -19.5642 -19.4703 -19.4703 11.6371 11.6371 11.7352 11.7352 11.9052 11.9052 12.0900 12.0900 13.4751 13.4751 13.6101 13.6101 14.7136 14.7136 16.2041 16.2041 k = 0.3611 0.5292-0.0000 ( 2902 PWs) bands (ev): -43.4373 -43.4373 -43.4253 -43.4253 -20.2300 -20.2300 -20.2143 -20.2143 -19.6160 -19.6160 -19.5809 -19.5809 -19.5620 -19.5620 -19.4759 -19.4759 11.6403 11.6403 11.7655 11.7655 11.9264 11.9264 12.0676 12.0676 13.4742 13.4742 13.5952 13.5952 14.7267 14.7267 16.2075 16.2075 k = 0.3565 0.5373-0.0000 ( 2908 PWs) bands (ev): -43.4361 -43.4361 -43.4261 -43.4261 -20.2292 -20.2292 -20.2149 -20.2149 -19.6165 -19.6165 -19.5810 -19.5810 -19.5592 -19.5592 -19.4812 -19.4812 11.6429 11.6429 11.7944 11.7944 11.9439 11.9439 12.0466 12.0466 13.4753 13.4753 13.5804 13.5804 14.7385 14.7385 16.2144 16.2144 k = 0.3519 0.5453-0.0000 ( 2912 PWs) bands (ev): -43.4350 -43.4350 -43.4269 -43.4269 -20.2285 -20.2285 -20.2155 -20.2155 -19.6170 -19.6170 -19.5812 -19.5812 -19.5564 -19.5564 -19.4859 -19.4859 11.6449 11.6449 11.8217 11.8217 11.9561 11.9561 12.0282 12.0282 13.4784 13.4784 13.5660 13.5660 14.7487 14.7487 16.2249 16.2249 k = 0.3472 0.5533-0.0000 ( 2908 PWs) bands (ev): -43.4339 -43.4339 -43.4277 -43.4277 -20.2278 -20.2278 -20.2161 -20.2161 -19.6174 -19.6174 -19.5815 -19.5815 -19.5538 -19.5538 -19.4900 -19.4900 11.6464 11.6464 11.8475 11.8475 11.9600 11.9600 12.0154 12.0154 13.4835 13.4835 13.5521 13.5521 14.7569 14.7569 16.2389 16.2389 k = 0.3426 0.5613-0.0000 ( 2924 PWs) bands (ev): -43.4328 -43.4328 -43.4286 -43.4286 -20.2273 -20.2273 -20.2166 -20.2166 -19.6177 -19.6177 -19.5817 -19.5817 -19.5516 -19.5516 -19.4932 -19.4932 11.6474 11.6474 11.8717 11.8717 11.9527 11.9527 12.0108 12.0108 13.4904 13.4904 13.5387 13.5387 14.7630 14.7630 16.2561 16.2561 k = 0.3380 0.5693-0.0000 ( 2928 PWs) bands (ev): -43.4317 -43.4317 -43.4296 -43.4296 -20.2269 -20.2269 -20.2170 -20.2170 -19.6179 -19.6179 -19.5817 -19.5817 -19.5502 -19.5502 -19.4952 -19.4952 11.6479 11.6479 11.8938 11.8938 11.9378 11.9378 12.0111 12.0111 13.4988 13.4988 13.5265 13.5265 14.7667 14.7667 16.2759 16.2759 k = 0.3333 0.5774-0.0000 ( 2928 PWs) bands (ev): -43.4306 -43.4306 -43.4306 -43.4306 -20.2267 -20.2267 -20.2172 -20.2172 -19.6180 -19.6180 -19.5818 -19.5818 -19.5498 -19.5498 -19.4959 -19.4959 11.6480 11.6480 11.9085 11.9085 11.9250 11.9250 12.0118 12.0118 13.5049 13.5049 13.5191 13.5191 14.7680 14.7680 16.2919 16.2919 k = 0.3333 0.5774-0.0000 ( 2928 PWs) bands (ev): -43.4306 -43.4306 -43.4306 -43.4306 -20.2267 -20.2267 -20.2172 -20.2172 -19.6180 -19.6180 -19.5818 -19.5818 -19.5498 -19.5498 -19.4959 -19.4959 11.6480 11.6480 11.9085 11.9085 11.9250 11.9250 12.0118 12.0118 13.5049 13.5049 13.5191 13.5191 14.7680 14.7680 16.2919 16.2921 k = 0.3286 0.5692-0.0000 ( 2928 PWs) bands (ev): -43.4317 -43.4317 -43.4296 -43.4296 -20.2269 -20.2269 -20.2170 -20.2170 -19.6179 -19.6179 -19.5818 -19.5818 -19.5502 -19.5502 -19.4952 -19.4952 11.6479 11.6479 11.8934 11.8934 11.9384 11.9384 12.0108 12.0108 13.4981 13.4981 13.5272 13.5272 14.7667 14.7667 16.2740 16.2740 k = 0.3239 0.5611-0.0000 ( 2924 PWs) bands (ev): -43.4329 -43.4329 -43.4285 -43.4285 -20.2274 -20.2274 -20.2165 -20.2165 -19.6177 -19.6177 -19.5818 -19.5818 -19.5514 -19.5514 -19.4932 -19.4932 11.6476 11.6476 11.8706 11.8706 11.9563 11.9563 12.0078 12.0078 13.4878 13.4878 13.5416 13.5416 14.7626 14.7626 16.2485 16.2485 k = 0.3192 0.5530-0.0000 ( 2916 PWs) bands (ev): -43.4341 -43.4341 -43.4275 -43.4275 -20.2282 -20.2282 -20.2156 -20.2156 -19.6174 -19.6174 -19.5821 -19.5821 -19.5529 -19.5529 -19.4902 -19.4902 11.6472 11.6472 11.8452 11.8452 11.9732 11.9732 12.0030 12.0030 13.4777 13.4777 13.5583 13.5583 14.7558 14.7558 16.2217 16.2217 k = 0.3146 0.5448-0.0000 ( 2904 PWs) bands (ev): -43.4354 -43.4354 -43.4266 -43.4266 -20.2292 -20.2292 -20.2144 -20.2144 -19.6170 -19.6170 -19.5826 -19.5826 -19.5543 -19.5543 -19.4863 -19.4863 11.6468 11.6468 11.8172 11.8172 11.9889 11.9889 11.9968 11.9968 13.4683 13.4683 13.5770 13.5770 14.7464 14.7464 16.1941 16.1941 k = 0.3099 0.5367-0.0000 ( 2900 PWs) bands (ev): -43.4368 -43.4368 -43.4256 -43.4256 -20.2304 -20.2304 -20.2130 -20.2130 -19.6165 -19.6165 -19.5835 -19.5835 -19.5553 -19.5553 -19.4819 -19.4819 11.6466 11.6466 11.7858 11.7858 11.9898 11.9898 12.0034 12.0034 13.4598 13.4598 13.5973 13.5973 14.7342 14.7342 16.1656 16.1656 k = 0.3052 0.5286-0.0000 ( 2900 PWs) bands (ev): -43.4382 -43.4382 -43.4247 -43.4247 -20.2317 -20.2317 -20.2114 -20.2114 -19.6161 -19.6161 -19.5848 -19.5848 -19.5556 -19.5556 -19.4771 -19.4771 11.6466 11.6466 11.7506 11.7506 11.9829 11.9829 12.0167 12.0167 13.4523 13.4523 13.6192 13.6192 14.7196 14.7196 16.1365 16.1365 k = 0.3005 0.5204-0.0000 ( 2900 PWs) bands (ev): -43.4397 -43.4397 -43.4239 -43.4239 -20.2331 -20.2331 -20.2095 -20.2095 -19.6159 -19.6159 -19.5863 -19.5863 -19.5553 -19.5553 -19.4719 -19.4719 11.6470 11.6470 11.7108 11.7108 11.9765 11.9765 12.0288 12.0288 13.4458 13.4458 13.6425 13.6425 14.7025 14.7025 16.1066 16.1066 k = 0.2958 0.5123-0.0000 ( 2898 PWs) bands (ev): -43.4413 -43.4413 -43.4231 -43.4231 -20.2345 -20.2345 -20.2074 -20.2074 -19.6161 -19.6161 -19.5877 -19.5877 -19.5542 -19.5542 -19.4665 -19.4665 11.6479 11.6479 11.6663 11.6663 11.9713 11.9713 12.0398 12.0398 13.4405 13.4405 13.6672 13.6672 14.6831 14.6831 16.0761 16.0761 k = 0.2911 0.5042-0.0000 ( 2902 PWs) bands (ev): -43.4430 -43.4430 -43.4223 -43.4223 -20.2359 -20.2359 -20.2052 -20.2052 -19.6168 -19.6168 -19.5887 -19.5887 -19.5525 -19.5525 -19.4609 -19.4609 11.6166 11.6166 11.6495 11.6495 11.9676 11.9676 12.0499 12.0499 13.4363 13.4363 13.6930 13.6930 14.6616 14.6616 16.0450 16.0450 k = 0.2864 0.4960-0.0000 ( 2898 PWs) bands (ev): -43.4447 -43.4447 -43.4216 -43.4216 -20.2374 -20.2374 -20.2027 -20.2027 -19.6183 -19.6183 -19.5889 -19.5889 -19.5504 -19.5504 -19.4552 -19.4552 11.5618 11.5618 11.6517 11.6517 11.9656 11.9656 12.0589 12.0589 13.4334 13.4334 13.7198 13.7198 14.6381 14.6381 16.0133 16.0133 k = 0.2817 0.4879-0.0000 ( 2894 PWs) bands (ev): -43.4465 -43.4465 -43.4210 -43.4210 -20.2388 -20.2388 -20.2000 -20.2000 -19.6205 -19.6205 -19.5882 -19.5882 -19.5479 -19.5479 -19.4494 -19.4494 11.5020 11.5020 11.6548 11.6548 11.9655 11.9655 12.0670 12.0670 13.4317 13.4317 13.7477 13.7477 14.6127 14.6127 15.9811 15.9811 k = 0.2770 0.4798-0.0000 ( 2892 PWs) bands (ev): -43.4483 -43.4483 -43.4204 -43.4204 -20.2403 -20.2403 -20.1971 -20.1971 -19.6233 -19.6233 -19.5868 -19.5868 -19.5450 -19.5450 -19.4436 -19.4436 11.4372 11.4372 11.6588 11.6588 11.9674 11.9674 12.0743 12.0743 13.4313 13.4313 13.7763 13.7763 14.5857 14.5857 15.9484 15.9484 k = 0.2723 0.4716-0.0000 ( 2892 PWs) bands (ev): -43.4503 -43.4503 -43.4198 -43.4198 -20.2417 -20.2417 -20.1939 -20.1939 -19.6264 -19.6264 -19.5847 -19.5847 -19.5418 -19.5418 -19.4377 -19.4377 11.3678 11.3678 11.6638 11.6638 11.9713 11.9713 12.0807 12.0807 13.4323 13.4323 13.8056 13.8056 14.5572 14.5572 15.9152 15.9152 k = 0.2676 0.4635-0.0000 ( 2892 PWs) bands (ev): -43.4523 -43.4523 -43.4193 -43.4193 -20.2431 -20.2431 -20.1905 -20.1905 -19.6299 -19.6299 -19.5820 -19.5820 -19.5384 -19.5384 -19.4317 -19.4317 11.2939 11.2939 11.6699 11.6699 11.9772 11.9772 12.0862 12.0862 13.4347 13.4347 13.8356 13.8356 14.5275 14.5275 15.8816 15.8816 k = 0.2629 0.4554-0.0000 ( 2896 PWs) bands (ev): -43.4543 -43.4543 -43.4189 -43.4189 -20.2445 -20.2445 -20.1869 -20.1869 -19.6334 -19.6334 -19.5789 -19.5789 -19.5347 -19.5347 -19.4258 -19.4258 11.2159 11.2159 11.6772 11.6772 11.9851 11.9851 12.0909 12.0909 13.4384 13.4384 13.8660 13.8660 14.4966 14.4966 15.8477 15.8477 k = 0.2582 0.4472-0.0000 ( 2896 PWs) bands (ev): -43.4564 -43.4564 -43.4185 -43.4185 -20.2459 -20.2459 -20.1830 -20.1830 -19.6370 -19.6370 -19.5754 -19.5754 -19.5308 -19.5308 -19.4199 -19.4199 11.1341 11.1341 11.6858 11.6858 11.9951 11.9951 12.0947 12.0947 13.4436 13.4436 13.8968 13.8968 14.4649 14.4649 15.8134 15.8134 k = 0.2535 0.4391-0.0000 ( 2896 PWs) bands (ev): -43.4586 -43.4586 -43.4182 -43.4182 -20.2472 -20.2472 -20.1789 -20.1789 -19.6405 -19.6405 -19.5715 -19.5715 -19.5267 -19.5267 -19.4139 -19.4139 11.0487 11.0487 11.6958 11.6958 12.0070 12.0070 12.0976 12.0976 13.4502 13.4502 13.9279 13.9279 14.4325 14.4325 15.7788 15.7788 k = 0.2488 0.4310-0.0000 ( 2900 PWs) bands (ev): -43.4609 -43.4609 -43.4180 -43.4180 -20.2485 -20.2485 -20.1745 -20.1745 -19.6440 -19.6440 -19.5674 -19.5674 -19.5225 -19.5225 -19.4080 -19.4080 10.9602 10.9602 11.7072 11.7072 12.0209 12.0209 12.0995 12.0995 13.4583 13.4583 13.9591 13.9591 14.3997 14.3997 15.7439 15.7439 k = 0.2441 0.4228-0.0000 ( 2896 PWs) bands (ev): -43.4632 -43.4632 -43.4177 -43.4177 -20.2497 -20.2497 -20.1699 -20.1699 -19.6473 -19.6473 -19.5630 -19.5630 -19.5180 -19.5180 -19.4021 -19.4021 10.8687 10.8687 11.7200 11.7200 12.0367 12.0367 12.1004 12.1004 13.4679 13.4679 13.9905 13.9905 14.3666 14.3666 15.7088 15.7088 k = 0.2394 0.4147-0.0000 ( 2896 PWs) bands (ev): -43.4655 -43.4655 -43.4176 -43.4176 -20.2509 -20.2509 -20.1650 -20.1650 -19.6504 -19.6504 -19.5583 -19.5583 -19.5134 -19.5134 -19.3963 -19.3963 10.7747 10.7747 11.7344 11.7344 12.0544 12.0544 12.1001 12.1001 13.4789 13.4789 14.0218 14.0218 14.3336 14.3336 15.6735 15.6735 k = 0.2347 0.4066-0.0000 ( 2894 PWs) bands (ev): -43.4680 -43.4680 -43.4175 -43.4175 -20.2521 -20.2521 -20.1599 -20.1599 -19.6533 -19.6533 -19.5534 -19.5534 -19.5087 -19.5087 -19.3905 -19.3905 10.6785 10.6785 11.7504 11.7504 12.0739 12.0739 12.0988 12.0988 13.4914 13.4914 14.0531 14.0531 14.3009 14.3009 15.6380 15.6380 k = 0.2300 0.3985-0.0000 ( 2898 PWs) bands (ev): -43.4704 -43.4704 -43.4175 -43.4175 -20.2532 -20.2532 -20.1545 -20.1545 -19.6561 -19.6561 -19.5484 -19.5484 -19.5038 -19.5038 -19.3848 -19.3848 10.5802 10.5802 11.7680 11.7680 12.0931 12.0931 12.0983 12.0983 13.5055 13.5055 14.0841 14.0841 14.2687 14.2687 15.6025 15.6025 k = 0.2254 0.3903-0.0000 ( 2896 PWs) bands (ev): -43.4730 -43.4730 -43.4175 -43.4175 -20.2544 -20.2544 -20.1490 -20.1490 -19.6586 -19.6586 -19.5431 -19.5431 -19.4987 -19.4987 -19.3791 -19.3791 10.4802 10.4802 11.7873 11.7873 12.0911 12.0911 12.1193 12.1193 13.5210 13.5210 14.1148 14.1148 14.2375 14.2375 15.5669 15.5669 k = 0.2207 0.3822-0.0000 ( 2902 PWs) bands (ev): -43.4755 -43.4755 -43.4176 -43.4176 -20.2555 -20.2555 -20.1431 -20.1431 -19.6608 -19.6608 -19.5377 -19.5377 -19.4936 -19.4936 -19.3735 -19.3735 10.3788 10.3788 11.8083 11.8083 12.0853 12.0853 12.1443 12.1443 13.5380 13.5380 14.1447 14.1447 14.2077 14.2077 15.5312 15.5312 k = 0.2160 0.3741-0.0000 ( 2894 PWs) bands (ev): -43.4781 -43.4781 -43.4177 -43.4177 -20.2566 -20.2566 -20.1371 -20.1371 -19.6628 -19.6628 -19.5321 -19.5321 -19.4882 -19.4882 -19.3680 -19.3680 10.2763 10.2763 11.8310 11.8310 12.0776 12.0776 12.1712 12.1712 13.5564 13.5564 14.1674 14.1674 14.1861 14.1861 15.4955 15.4955 k = 0.2113 0.3659-0.0000 ( 2890 PWs) bands (ev): -43.4808 -43.4808 -43.4179 -43.4179 -20.2577 -20.2577 -20.1309 -20.1309 -19.6645 -19.6645 -19.5263 -19.5263 -19.4828 -19.4828 -19.3625 -19.3625 10.1728 10.1728 11.8555 11.8555 12.0680 12.0680 12.1998 12.1998 13.5763 13.5763 14.1481 14.1481 14.2076 14.2076 15.4598 15.4598 k = 0.2066 0.3578-0.0000 ( 2890 PWs) bands (ev): -43.4835 -43.4835 -43.4182 -43.4182 -20.2588 -20.2588 -20.1245 -20.1245 -19.6659 -19.6659 -19.5205 -19.5205 -19.4772 -19.4772 -19.3571 -19.3571 10.0687 10.0687 11.8818 11.8818 12.0564 12.0564 12.2301 12.2301 13.5977 13.5977 14.1230 14.1230 14.2363 14.2363 15.4242 15.4242 k = 0.2019 0.3497-0.0000 ( 2892 PWs) bands (ev): -43.4862 -43.4862 -43.4185 -43.4185 -20.2600 -20.2600 -20.1179 -20.1179 -19.6671 -19.6671 -19.5145 -19.5145 -19.4715 -19.4715 -19.3518 -19.3518 9.9642 9.9642 11.9098 11.9098 12.0426 12.0426 12.2621 12.2621 13.6204 13.6204 14.0995 14.0995 14.2648 14.2648 15.3888 15.3888 k = 0.1972 0.3415-0.0000 ( 2892 PWs) bands (ev): -43.4889 -43.4889 -43.4189 -43.4189 -20.2611 -20.2611 -20.1112 -20.1112 -19.6679 -19.6679 -19.5084 -19.5084 -19.4657 -19.4657 -19.3466 -19.3466 9.8594 9.8594 11.9396 11.9396 12.0265 12.0265 12.2957 12.2957 13.6445 13.6445 14.0782 14.0782 14.2929 14.2929 15.3534 15.3534 k = 0.1925 0.3334-0.0000 ( 2890 PWs) bands (ev): -43.4917 -43.4917 -43.4193 -43.4193 -20.2623 -20.2623 -20.1043 -20.1043 -19.6685 -19.6685 -19.5022 -19.5022 -19.4597 -19.4597 -19.3415 -19.3415 9.7547 9.7547 11.9710 11.9710 12.0081 12.0081 12.3308 12.3308 13.6700 13.6700 14.0593 14.0593 14.3204 14.3204 15.3182 15.3182 k = 0.1878 0.3253-0.0000 ( 2882 PWs) bands (ev): -43.4945 -43.4945 -43.4197 -43.4197 -20.2636 -20.2636 -20.0973 -20.0973 -19.6687 -19.6687 -19.4960 -19.4960 -19.4537 -19.4537 -19.3365 -19.3365 9.6501 9.6501 11.9855 11.9855 12.0061 12.0061 12.3675 12.3675 13.6968 13.6968 14.0430 14.0430 14.3473 14.3473 15.2832 15.2832 k = 0.1831 0.3171-0.0000 ( 2878 PWs) bands (ev): -43.4973 -43.4973 -43.4202 -43.4202 -20.2648 -20.2648 -20.0902 -20.0902 -19.6687 -19.6687 -19.4897 -19.4897 -19.4474 -19.4474 -19.3316 -19.3316 9.5459 9.5459 11.9625 11.9625 12.0407 12.0407 12.4056 12.4056 13.7248 13.7248 14.0295 14.0295 14.3735 14.3735 15.2485 15.2485 k = 0.1784 0.3090-0.0000 ( 2882 PWs) bands (ev): -43.5001 -43.5001 -43.4207 -43.4207 -20.2662 -20.2662 -20.0829 -20.0829 -19.6684 -19.6684 -19.4833 -19.4833 -19.4411 -19.4411 -19.3268 -19.3268 9.4423 9.4423 11.9363 11.9363 12.0777 12.0777 12.4450 12.4450 13.7541 13.7541 14.0189 14.0189 14.3990 14.3990 15.2140 15.2140 k = 0.1737 0.3009-0.0000 ( 2878 PWs) bands (ev): -43.5030 -43.5030 -43.4213 -43.4213 -20.2675 -20.2675 -20.0757 -20.0757 -19.6678 -19.6678 -19.4770 -19.4770 -19.4346 -19.4346 -19.3221 -19.3221 9.3394 9.3394 11.9075 11.9075 12.1166 12.1166 12.4858 12.4858 13.7845 13.7845 14.0111 14.0111 14.4238 14.4238 15.1798 15.1798 k = 0.1690 0.2927-0.0000 ( 2874 PWs) bands (ev): -43.5058 -43.5058 -43.4219 -43.4219 -20.2690 -20.2690 -20.0683 -20.0683 -19.6669 -19.6669 -19.4706 -19.4706 -19.4280 -19.4280 -19.3176 -19.3176 9.2375 9.2375 11.8761 11.8761 12.1573 12.1573 12.5278 12.5278 13.8161 13.8161 14.0064 14.0064 14.4478 14.4478 15.1459 15.1459 k = 0.1643 0.2846-0.0000 ( 2878 PWs) bands (ev): -43.5086 -43.5086 -43.4226 -43.4226 -20.2705 -20.2705 -20.0610 -20.0610 -19.6657 -19.6657 -19.4642 -19.4642 -19.4212 -19.4212 -19.3131 -19.3131 9.1366 9.1366 11.8423 11.8423 12.1998 12.1998 12.5710 12.5710 13.8487 13.8487 14.0046 14.0046 14.4710 14.4710 15.1123 15.1123 k = 0.1596 0.2765-0.0000 ( 2882 PWs) bands (ev): -43.5114 -43.5114 -43.4232 -43.4232 -20.2721 -20.2721 -20.0536 -20.0536 -19.6643 -19.6643 -19.4578 -19.4578 -19.4143 -19.4143 -19.3087 -19.3087 9.0369 9.0369 11.8062 11.8062 12.2441 12.2441 12.6153 12.6153 13.8822 13.8822 14.0057 14.0057 14.4935 14.4935 15.0791 15.0791 k = 0.1549 0.2683-0.0000 ( 2874 PWs) bands (ev): -43.5143 -43.5143 -43.4239 -43.4239 -20.2737 -20.2737 -20.0462 -20.0462 -19.6626 -19.6626 -19.4515 -19.4515 -19.4073 -19.4073 -19.3045 -19.3045 8.9386 8.9386 11.7679 11.7679 12.2901 12.2901 12.6606 12.6606 13.9166 13.9166 14.0097 14.0097 14.5151 14.5151 15.0463 15.0463 k = 0.1502 0.2602-0.0000 ( 2874 PWs) bands (ev): -43.5171 -43.5171 -43.4247 -43.4247 -20.2754 -20.2754 -20.0389 -20.0389 -19.6607 -19.6607 -19.4452 -19.4452 -19.4002 -19.4002 -19.3004 -19.3004 8.8418 8.8418 11.7275 11.7275 12.3377 12.3377 12.7069 12.7069 13.9517 13.9517 14.0165 14.0165 14.5360 14.5360 15.0139 15.0139 k = 0.1455 0.2521-0.0000 ( 2868 PWs) bands (ev): -43.5198 -43.5198 -43.4254 -43.4254 -20.2772 -20.2772 -20.0316 -20.0316 -19.6586 -19.6586 -19.4389 -19.4389 -19.3930 -19.3930 -19.2964 -19.2964 8.7467 8.7467 11.6854 11.6854 12.3870 12.3870 12.7539 12.7539 13.9869 13.9869 14.0265 14.0265 14.5560 14.5560 14.9819 14.9819 k = 0.1408 0.2440-0.0000 ( 2864 PWs) bands (ev): -43.5226 -43.5226 -43.4262 -43.4262 -20.2790 -20.2790 -20.0244 -20.0244 -19.6563 -19.6563 -19.4327 -19.4327 -19.3857 -19.3857 -19.2925 -19.2925 8.6533 8.6533 11.6418 11.6418 12.4379 12.4379 12.8018 12.8018 14.0201 14.0201 14.0417 14.0417 14.5753 14.5753 14.9504 14.9504 k = 0.1362 0.2358-0.0000 ( 2868 PWs) bands (ev): -43.5253 -43.5253 -43.4270 -43.4270 -20.2809 -20.2809 -20.0173 -20.0173 -19.6538 -19.6538 -19.4265 -19.4265 -19.3783 -19.3783 -19.2887 -19.2887 8.5618 8.5618 11.5967 11.5967 12.4904 12.4904 12.8502 12.8502 14.0437 14.0437 14.0692 14.0692 14.5938 14.5938 14.9193 14.9193 k = 0.1315 0.2277-0.0000 ( 2868 PWs) bands (ev): -43.5280 -43.5280 -43.4278 -43.4278 -20.2828 -20.2828 -20.0102 -20.0102 -19.6512 -19.6512 -19.4204 -19.4204 -19.3709 -19.3709 -19.2851 -19.2851 8.4722 8.4722 11.5506 11.5506 12.5444 12.5444 12.8993 12.8993 14.0615 14.0615 14.1051 14.1051 14.6114 14.6114 14.8887 14.8887 k = 0.1268 0.2196-0.0000 ( 2872 PWs) bands (ev): -43.5306 -43.5306 -43.4286 -43.4286 -20.2848 -20.2848 -20.0033 -20.0033 -19.6485 -19.6485 -19.4144 -19.4144 -19.3634 -19.3634 -19.2815 -19.2815 8.3849 8.3849 11.5035 11.5035 12.5998 12.5998 12.9488 12.9488 14.0796 14.0796 14.1431 14.1431 14.6283 14.6283 14.8586 14.8586 k = 0.1221 0.2114-0.0000 ( 2868 PWs) bands (ev): -43.5332 -43.5332 -43.4294 -43.4294 -20.2868 -20.2868 -19.9966 -19.9966 -19.6456 -19.6456 -19.4084 -19.4084 -19.3559 -19.3559 -19.2781 -19.2781 8.2997 8.2997 11.4559 11.4559 12.6566 12.6566 12.9986 12.9986 14.0988 14.0988 14.1818 14.1818 14.6443 14.6443 14.8290 14.8290 k = 0.1174 0.2033-0.0000 ( 2866 PWs) bands (ev): -43.5357 -43.5357 -43.4302 -43.4302 -20.2888 -20.2888 -19.9900 -19.9900 -19.6427 -19.6427 -19.4026 -19.4026 -19.3485 -19.3485 -19.2748 -19.2748 8.2169 8.2169 11.4079 11.4079 12.7147 12.7147 13.0487 13.0487 14.1192 14.1192 14.2210 14.2210 14.6594 14.6594 14.8000 14.8000 k = 0.1127 0.1952-0.0000 ( 2866 PWs) bands (ev): -43.5382 -43.5382 -43.4310 -43.4310 -20.2908 -20.2908 -19.9836 -19.9836 -19.6397 -19.6397 -19.3968 -19.3968 -19.3410 -19.3410 -19.2716 -19.2716 8.1365 8.1365 11.3597 11.3597 12.7740 12.7740 13.0989 13.0989 14.1407 14.1407 14.2604 14.2604 14.6734 14.6734 14.7715 14.7715 k = 0.1080 0.1870-0.0000 ( 2870 PWs) bands (ev): -43.5406 -43.5406 -43.4319 -43.4319 -20.2929 -20.2929 -19.9773 -19.9773 -19.6366 -19.6366 -19.3911 -19.3911 -19.3337 -19.3337 -19.2686 -19.2686 8.0586 8.0586 11.3116 11.3116 12.8344 12.8344 13.1492 13.1492 14.1631 14.1631 14.2999 14.2999 14.6852 14.6852 14.7431 14.7431 k = 0.1033 0.1789-0.0000 ( 2870 PWs) bands (ev): -43.5430 -43.5430 -43.4327 -43.4327 -20.2950 -20.2950 -19.9713 -19.9713 -19.6335 -19.6335 -19.3855 -19.3855 -19.3264 -19.3264 -19.2656 -19.2656 7.9834 7.9834 11.2638 11.2638 12.8958 12.8958 13.1994 13.1994 14.1862 14.1862 14.3393 14.3393 14.6866 14.6866 14.7045 14.7045 k = 0.0986 0.1708-0.0000 ( 2862 PWs) bands (ev): -43.5453 -43.5453 -43.4335 -43.4335 -20.2970 -20.2970 -19.9655 -19.9655 -19.6305 -19.6305 -19.3801 -19.3801 -19.3192 -19.3192 -19.2627 -19.2627 7.9108 7.9108 11.2166 11.2166 12.9581 12.9581 13.2493 13.2493 14.2099 14.2099 14.3785 14.3785 14.6439 14.6439 14.6808 14.6808 k = 0.0939 0.1626-0.0000 ( 2862 PWs) bands (ev): -43.5475 -43.5475 -43.4343 -43.4343 -20.2991 -20.2991 -19.9599 -19.9599 -19.6274 -19.6274 -19.3747 -19.3747 -19.3123 -19.3123 -19.2599 -19.2599 7.8411 7.8411 11.1701 11.1701 13.0211 13.0211 13.2990 13.2990 14.2338 14.2338 14.4174 14.4174 14.5930 14.5930 14.6562 14.6562 k = 0.0892 0.1545-0.0000 ( 2862 PWs) bands (ev): -43.5497 -43.5497 -43.4350 -43.4350 -20.3011 -20.3011 -19.9545 -19.9545 -19.6244 -19.6244 -19.3695 -19.3695 -19.3055 -19.3055 -19.2572 -19.2572 7.7742 7.7742 11.1246 11.1246 13.0848 13.0848 13.3483 13.3483 14.2578 14.2578 14.4557 14.4557 14.5439 14.5439 14.6303 14.6303 k = 0.0845 0.1464-0.0000 ( 2860 PWs) bands (ev): -43.5517 -43.5517 -43.4358 -43.4358 -20.3031 -20.3031 -19.9493 -19.9493 -19.6215 -19.6215 -19.3644 -19.3644 -19.2989 -19.2989 -19.2546 -19.2546 7.7103 7.7103 11.0802 11.0802 13.1488 13.1488 13.3970 13.3970 14.2815 14.2815 14.4924 14.4924 14.4980 14.4980 14.6047 14.6047 k = 0.0798 0.1382-0.0000 ( 2858 PWs) bands (ev): -43.5537 -43.5537 -43.4365 -43.4365 -20.3050 -20.3050 -19.9444 -19.9444 -19.6186 -19.6186 -19.3595 -19.3595 -19.2927 -19.2927 -19.2520 -19.2520 7.6494 7.6494 11.0372 11.0372 13.2130 13.2130 13.4451 13.4451 14.3044 14.3044 14.4535 14.4535 14.5285 14.5285 14.5804 14.5804 k = 0.0751 0.1301-0.0000 ( 2858 PWs) bands (ev): -43.5556 -43.5556 -43.4372 -43.4372 -20.3069 -20.3069 -19.9398 -19.9398 -19.6158 -19.6158 -19.3548 -19.3548 -19.2868 -19.2868 -19.2494 -19.2494 7.5916 7.5916 10.9957 10.9957 13.2772 13.2772 13.4925 13.4925 14.3250 14.3250 14.4142 14.4142 14.5437 14.5437 14.5756 14.5756 k = 0.0704 0.1220-0.0000 ( 2860 PWs) bands (ev): -43.5573 -43.5573 -43.4379 -43.4379 -20.3087 -20.3087 -19.9354 -19.9354 -19.6131 -19.6131 -19.3502 -19.3502 -19.2812 -19.2812 -19.2468 -19.2468 7.5370 7.5370 10.9559 10.9559 13.3412 13.3412 13.5390 13.5390 14.3360 14.3360 14.3864 14.3864 14.5225 14.5225 14.6060 14.6060 k = 0.0657 0.1138-0.0000 ( 2866 PWs) bands (ev): -43.5590 -43.5590 -43.4385 -43.4385 -20.3105 -20.3105 -19.9313 -19.9313 -19.6106 -19.6106 -19.3459 -19.3459 -19.2761 -19.2761 -19.2443 -19.2443 7.4856 7.4856 10.9179 10.9179 13.4045 13.4045 13.5847 13.5847 14.3189 14.3189 14.3886 14.3886 14.4973 14.4973 14.6392 14.6392 k = 0.0610 0.1057-0.0000 ( 2862 PWs) bands (ev): -43.5606 -43.5606 -43.4391 -43.4391 -20.3121 -20.3121 -19.9275 -19.9275 -19.6081 -19.6081 -19.3417 -19.3417 -19.2714 -19.2714 -19.2416 -19.2416 7.4375 7.4375 10.8819 10.8819 13.4670 13.4670 13.6294 13.6294 14.2886 14.2886 14.4055 14.4055 14.4717 14.4717 14.6713 14.6713 k = 0.0563 0.0976-0.0000 ( 2862 PWs) bands (ev): -43.5621 -43.5621 -43.4397 -43.4397 -20.3137 -20.3137 -19.9239 -19.9239 -19.6059 -19.6059 -19.3378 -19.3378 -19.2672 -19.2672 -19.2390 -19.2390 7.3927 7.3927 10.8480 10.8480 13.5281 13.5281 13.6730 13.6730 14.2579 14.2579 14.4243 14.4243 14.4461 14.4461 14.7001 14.7001 k = 0.0516 0.0894-0.0000 ( 2862 PWs) bands (ev): -43.5635 -43.5635 -43.4402 -43.4402 -20.3152 -20.3152 -19.9206 -19.9206 -19.6037 -19.6037 -19.3341 -19.3341 -19.2636 -19.2636 -19.2363 -19.2363 7.3513 7.3513 10.8164 10.8164 13.5875 13.5875 13.7154 13.7154 14.2288 14.2288 14.4194 14.4194 14.4438 14.4438 14.6987 14.6987 k = 0.0469 0.0813-0.0000 ( 2862 PWs) bands (ev): -43.5647 -43.5647 -43.4407 -43.4407 -20.3166 -20.3166 -19.9176 -19.9176 -19.6017 -19.6017 -19.3307 -19.3307 -19.2604 -19.2604 -19.2336 -19.2336 7.3134 7.3134 10.7871 10.7871 13.6447 13.6447 13.7567 13.7567 14.2020 14.2020 14.3935 14.3935 14.4614 14.4614 14.6755 14.6755 k = 0.0423 0.0732-0.0000 ( 2860 PWs) bands (ev): -43.5659 -43.5659 -43.4412 -43.4412 -20.3178 -20.3178 -19.9149 -19.9149 -19.5999 -19.5999 -19.3275 -19.3275 -19.2577 -19.2577 -19.2309 -19.2309 7.2789 7.2789 10.7603 10.7603 13.6992 13.6992 13.7968 13.7968 14.1777 14.1777 14.3674 14.3674 14.4778 14.4778 14.6535 14.6535 k = 0.0376 0.0651-0.0000 ( 2860 PWs) bands (ev): -43.5669 -43.5669 -43.4416 -43.4416 -20.3190 -20.3190 -19.9124 -19.9124 -19.5983 -19.5983 -19.3247 -19.3247 -19.2555 -19.2555 -19.2283 -19.2283 7.2480 7.2480 10.7361 10.7361 13.7503 13.7503 13.8355 13.8355 14.1558 14.1558 14.3411 14.3411 14.4927 14.4927 14.6340 14.6340 k = 0.0329 0.0569-0.0000 ( 2864 PWs) bands (ev): -43.5678 -43.5678 -43.4420 -43.4420 -20.3200 -20.3200 -19.9102 -19.9102 -19.5969 -19.5969 -19.3221 -19.3221 -19.2536 -19.2536 -19.2258 -19.2258 7.2206 7.2206 10.7146 10.7146 13.7975 13.7975 13.8729 13.8729 14.1365 14.1365 14.3147 14.3147 14.5059 14.5059 14.6171 14.6171 k = 0.0282 0.0488-0.0000 ( 2863 PWs) bands (ev): -43.5686 -43.5686 -43.4423 -43.4423 -20.3209 -20.3209 -19.9084 -19.9084 -19.5956 -19.5956 -19.3198 -19.3198 -19.2521 -19.2521 -19.2236 -19.2236 7.1968 7.1968 10.6957 10.6957 13.8402 13.8402 13.9090 13.9090 14.1198 14.1198 14.2883 14.2883 14.5170 14.5170 14.6030 14.6030 k = 0.0235 0.0407-0.0000 ( 2859 PWs) bands (ev): -43.5693 -43.5693 -43.4426 -43.4426 -20.3217 -20.3217 -19.9068 -19.9068 -19.5945 -19.5945 -19.3179 -19.3179 -19.2509 -19.2509 -19.2216 -19.2216 7.1766 7.1766 10.6796 10.6796 13.8776 13.8776 13.9435 13.9435 14.1059 14.1059 14.2618 14.2618 14.5260 14.5260 14.5918 14.5918 k = 0.0188 0.0325-0.0000 ( 2855 PWs) bands (ev): -43.5699 -43.5699 -43.4428 -43.4428 -20.3223 -20.3223 -19.9055 -19.9055 -19.5936 -19.5936 -19.3163 -19.3163 -19.2500 -19.2500 -19.2199 -19.2199 7.1600 7.1600 10.6664 10.6664 13.9092 13.9092 13.9763 13.9763 14.0947 14.0947 14.2353 14.2353 14.5323 14.5323 14.5837 14.5837 k = 0.0141 0.0244-0.0000 ( 2859 PWs) bands (ev): -43.5703 -43.5703 -43.4430 -43.4430 -20.3228 -20.3228 -19.9045 -19.9045 -19.5929 -19.5929 -19.3150 -19.3150 -19.2492 -19.2492 -19.2186 -19.2186 7.1471 7.1471 10.6561 10.6561 13.9344 13.9344 14.0067 14.0067 14.0866 14.0866 14.2092 14.2092 14.5359 14.5359 14.5788 14.5788 k = 0.0094 0.0163-0.0000 ( 2863 PWs) bands (ev): -43.5706 -43.5706 -43.4431 -43.4431 -20.3231 -20.3231 -19.9037 -19.9037 -19.5924 -19.5924 -19.3141 -19.3141 -19.2488 -19.2488 -19.2176 -19.2176 7.1379 7.1379 10.6487 10.6487 13.9528 13.9528 14.0330 14.0330 14.0827 14.0827 14.1841 14.1841 14.5373 14.5373 14.5766 14.5766 k = 0.0047 0.0081-0.0000 ( 2863 PWs) bands (ev): -43.5708 -43.5708 -43.4432 -43.4432 -20.3234 -20.3234 -19.9033 -19.9033 -19.5921 -19.5921 -19.3136 -19.3136 -19.2485 -19.2485 -19.2170 -19.2170 7.1324 7.1324 10.6443 10.6443 13.9639 13.9639 14.0503 14.0503 14.0854 14.0854 14.1625 14.1625 14.5375 14.5375 14.5759 14.5759 k = 0.0000 0.0000 0.0000 ( 2863 PWs) bands (ev): -43.5709 -43.5709 -43.4432 -43.4432 -20.3234 -20.3234 -19.9032 -19.9032 -19.5920 -19.5920 -19.3134 -19.3134 -19.2484 -19.2484 -19.2168 -19.2168 7.1305 7.1305 10.6428 10.6428 13.9677 13.9677 14.0553 14.0553 14.0901 14.0901 14.1523 14.1523 14.5375 14.5375 14.5758 14.5758 k = 0.0000 0.0000 0.0000 ( 2863 PWs) bands (ev): -43.5709 -43.5709 -43.4432 -43.4432 -20.3234 -20.3234 -19.9032 -19.9032 -19.5920 -19.5920 -19.3134 -19.3134 -19.2484 -19.2484 -19.2168 -19.2168 7.1305 7.1305 10.6428 10.6428 13.9677 13.9677 14.0553 14.0553 14.0901 14.0901 14.1523 14.1523 14.5375 14.5375 14.5758 14.5758 k = 0.0000 0.0000 0.0093 ( 2863 PWs) bands (ev): -43.5708 -43.5708 -43.4433 -43.4433 -20.3232 -20.3232 -19.9033 -19.9033 -19.5919 -19.5919 -19.3134 -19.3134 -19.2486 -19.2486 -19.2169 -19.2169 7.1323 7.1323 10.6418 10.6418 13.9644 13.9644 14.0543 14.0543 14.0890 14.0890 14.1514 14.1514 14.5365 14.5365 14.5747 14.5747 k = 0.0000 0.0000 0.0185 ( 2863 PWs) bands (ev): -43.5706 -43.5706 -43.4435 -43.4435 -20.3223 -20.3223 -19.9038 -19.9038 -19.5915 -19.5915 -19.3132 -19.3132 -19.2494 -19.2494 -19.2171 -19.2171 7.1378 7.1378 10.6390 10.6390 13.9546 13.9546 14.0513 14.0513 14.0858 14.0858 14.1484 14.1484 14.5335 14.5335 14.5717 14.5717 k = 0.0000 0.0000 0.0278 ( 2851 PWs) bands (ev): -43.5703 -43.5703 -43.4438 -43.4438 -20.3210 -20.3210 -19.9046 -19.9046 -19.5909 -19.5909 -19.3130 -19.3130 -19.2507 -19.2507 -19.2173 -19.2173 7.1468 7.1468 10.6343 10.6343 13.9385 13.9385 14.0466 14.0466 14.0805 14.0805 14.1435 14.1435 14.5286 14.5286 14.5666 14.5666 k = 0.0000 0.0000 0.0370 ( 2851 PWs) bands (ev): -43.5698 -43.5698 -43.4443 -43.4443 -20.3191 -20.3191 -19.9058 -19.9058 -19.5901 -19.5901 -19.3126 -19.3126 -19.2525 -19.2525 -19.2177 -19.2177 7.1594 7.1594 10.6275 10.6275 13.9165 13.9165 14.0402 14.0402 14.0735 14.0735 14.1366 14.1366 14.5218 14.5218 14.5595 14.5595 k = 0.0000 0.0000 0.0463 ( 2845 PWs) bands (ev): -43.5692 -43.5692 -43.4449 -43.4449 -20.3166 -20.3166 -19.9072 -19.9072 -19.5890 -19.5890 -19.3121 -19.3121 -19.2548 -19.2548 -19.2181 -19.2181 7.1755 7.1755 10.6186 10.6186 13.8890 13.8890 14.0324 14.0324 14.0650 14.0650 14.1277 14.1277 14.5131 14.5131 14.5505 14.5505 k = 0.0000 0.0000 0.0555 ( 2845 PWs) bands (ev): -43.5685 -43.5685 -43.4457 -43.4457 -20.3137 -20.3137 -19.9090 -19.9090 -19.5877 -19.5877 -19.3116 -19.3116 -19.2576 -19.2576 -19.2187 -19.2187 7.1953 7.1953 10.6075 10.6075 13.8566 13.8566 14.0234 14.0234 14.0552 14.0552 14.1170 14.1170 14.5027 14.5027 14.5397 14.5397 k = 0.0000 0.0000 0.0648 ( 2845 PWs) bands (ev): -43.5676 -43.5676 -43.4466 -43.4466 -20.3102 -20.3102 -19.9111 -19.9111 -19.5861 -19.5861 -19.3109 -19.3109 -19.2609 -19.2609 -19.2194 -19.2194 7.2185 7.2185 10.5939 10.5939 13.8200 13.8200 14.0135 14.0135 14.0445 14.0445 14.1044 14.1044 14.4906 14.4906 14.5272 14.5272 k = 0.0000 0.0000 0.0741 ( 2851 PWs) bands (ev): -43.5666 -43.5666 -43.4476 -43.4476 -20.3062 -20.3062 -19.9136 -19.9136 -19.5843 -19.5843 -19.3102 -19.3102 -19.2646 -19.2646 -19.2201 -19.2201 7.2453 7.2453 10.5777 10.5777 13.7800 13.7800 14.0030 14.0030 14.0332 14.0332 14.0899 14.0899 14.4770 14.4770 14.5131 14.5131 k = 0.0000 0.0000 0.0833 ( 2851 PWs) bands (ev): -43.5655 -43.5655 -43.4487 -43.4487 -20.3017 -20.3017 -19.9164 -19.9164 -19.5823 -19.5823 -19.3093 -19.3093 -19.2689 -19.2689 -19.2210 -19.2210 7.2755 7.2755 10.5588 10.5588 13.7373 13.7373 13.9922 13.9922 14.0214 14.0214 14.0737 14.0737 14.4618 14.4618 14.4975 14.4975 k = 0.0000 0.0000 0.0926 ( 2863 PWs) bands (ev): -43.5643 -43.5643 -43.4500 -43.4500 -20.2967 -20.2967 -19.9195 -19.9195 -19.5800 -19.5800 -19.3084 -19.3084 -19.2735 -19.2735 -19.2219 -19.2219 7.3092 7.3092 10.5367 10.5367 13.6927 13.6927 13.9811 13.9811 14.0095 14.0095 14.0559 14.0559 14.4454 14.4454 14.4805 14.4805 k = 0.0000 0.0000 0.1018 ( 2857 PWs) bands (ev): -43.5629 -43.5629 -43.4514 -43.4514 -20.2913 -20.2913 -19.9229 -19.9229 -19.5775 -19.5775 -19.3074 -19.3074 -19.2786 -19.2786 -19.2230 -19.2230 7.3463 7.3463 10.5115 10.5115 13.6471 13.6471 13.9702 13.9702 13.9975 13.9975 14.0364 14.0364 14.4277 14.4277 14.4623 14.4623 k = 0.0000 0.0000 0.1111 ( 2857 PWs) bands (ev): -43.5614 -43.5614 -43.4529 -43.4529 -20.2854 -20.2854 -19.9267 -19.9267 -19.5747 -19.5747 -19.3062 -19.3062 -19.2840 -19.2840 -19.2241 -19.2241 7.3867 7.3867 10.4827 10.4827 13.6013 13.6013 13.9595 13.9595 13.9856 13.9856 14.0157 14.0157 14.4090 14.4090 14.4431 14.4431 k = 0.0000 0.0000 0.1204 ( 2857 PWs) bands (ev): -43.5598 -43.5598 -43.4545 -43.4545 -20.2790 -20.2790 -19.9307 -19.9307 -19.5717 -19.5717 -19.3050 -19.3050 -19.2899 -19.2899 -19.2253 -19.2253 7.4304 7.4304 10.4503 10.4503 13.5560 13.5560 13.9493 13.9493 13.9733 13.9733 13.9943 13.9943 14.3893 14.3893 14.4229 14.4229 k = 0.0000 0.0000 0.1296 ( 2851 PWs) bands (ev): -43.5581 -43.5581 -43.4562 -43.4562 -20.2723 -20.2723 -19.9352 -19.9352 -19.5684 -19.5684 -19.3037 -19.3037 -19.2961 -19.2961 -19.2266 -19.2266 7.4774 7.4774 10.4140 10.4140 13.5120 13.5120 13.9396 13.9396 13.9584 13.9584 13.9747 13.9747 14.3689 14.3689 14.4019 14.4019 k = 0.0000 0.0000 0.1389 ( 2851 PWs) bands (ev): -43.5563 -43.5563 -43.4581 -43.4581 -20.2651 -20.2651 -19.9399 -19.9399 -19.5649 -19.5649 -19.3026 -19.3026 -19.3023 -19.3023 -19.2280 -19.2280 7.5276 7.5276 10.3736 10.3736 13.4699 13.4699 13.9306 13.9306 13.9371 13.9371 13.9608 13.9608 14.3477 14.3477 14.3802 14.3802 k = 0.0000 0.0000 0.1481 ( 2863 PWs) bands (ev): -43.5544 -43.5544 -43.4600 -43.4600 -20.2576 -20.2576 -19.9450 -19.9450 -19.5612 -19.5612 -19.3094 -19.3094 -19.3009 -19.3009 -19.2295 -19.2295 7.5808 7.5808 10.3291 10.3291 13.4303 13.4303 13.9116 13.9116 13.9224 13.9224 13.9507 13.9507 14.3261 14.3261 14.3580 14.3580 k = 0.0000 0.0000 0.1574 ( 2863 PWs) bands (ev): -43.5524 -43.5524 -43.4621 -43.4621 -20.2497 -20.2497 -19.9504 -19.9504 -19.5572 -19.5572 -19.3165 -19.3165 -19.2993 -19.2993 -19.2311 -19.2311 7.6372 7.6372 10.2803 10.2803 13.3938 13.3938 13.8841 13.8841 13.9152 13.9152 13.9425 13.9425 14.3040 14.3040 14.3354 14.3354 k = 0.0000 0.0000 0.1666 ( 2851 PWs) bands (ev): -43.5503 -43.5503 -43.4642 -43.4642 -20.2414 -20.2414 -19.9561 -19.9561 -19.5530 -19.5530 -19.3239 -19.3239 -19.2977 -19.2977 -19.2327 -19.2327 7.6965 7.6965 10.2272 10.2272 13.3608 13.3608 13.8553 13.8553 13.9089 13.9089 13.9355 13.9355 14.2816 14.2816 14.3125 14.3125 k = 0.0000 0.0000 0.1759 ( 2863 PWs) bands (ev): -43.5481 -43.5481 -43.4665 -43.4665 -20.2329 -20.2329 -19.9621 -19.9621 -19.5485 -19.5485 -19.3315 -19.3315 -19.2961 -19.2961 -19.2344 -19.2344 7.7586 7.7586 10.1699 10.1699 13.3317 13.3317 13.8254 13.8254 13.9037 13.9037 13.9298 13.9298 14.2591 14.2591 14.2895 14.2895 k = 0.0000 0.0000 0.1852 ( 2863 PWs) bands (ev): -43.5458 -43.5458 -43.4688 -43.4688 -20.2241 -20.2241 -19.9685 -19.9685 -19.5438 -19.5438 -19.3392 -19.3392 -19.2943 -19.2943 -19.2361 -19.2361 7.8236 7.8236 10.1084 10.1084 13.3066 13.3066 13.7946 13.7946 13.8995 13.8995 13.9253 13.9253 14.2366 14.2366 14.2665 14.2665 k = 0.0000 0.0000 0.1944 ( 2863 PWs) bands (ev): -43.5434 -43.5434 -43.4712 -43.4712 -20.2150 -20.2150 -19.9752 -19.9752 -19.5388 -19.5388 -19.3472 -19.3472 -19.2925 -19.2925 -19.2379 -19.2379 7.8913 7.8913 10.0429 10.0429 13.2858 13.2858 13.7631 13.7631 13.8965 13.8965 13.9220 13.9220 14.2141 14.2141 14.2435 14.2435 k = 0.0000 0.0000 0.2037 ( 2863 PWs) bands (ev): -43.5409 -43.5409 -43.4737 -43.4737 -20.2057 -20.2057 -19.9821 -19.9821 -19.5336 -19.5336 -19.3553 -19.3553 -19.2906 -19.2906 -19.2398 -19.2398 7.9616 7.9616 9.9736 9.9736 13.2692 13.2692 13.7311 13.7311 13.8947 13.8947 13.9200 13.9200 14.1918 14.1918 14.2208 14.2208 k = 0.0000 0.0000 0.2129 ( 2863 PWs) bands (ev): -43.5384 -43.5384 -43.4763 -43.4763 -20.1962 -20.1962 -19.9894 -19.9894 -19.5282 -19.5282 -19.3635 -19.3635 -19.2887 -19.2887 -19.2417 -19.2417 8.0344 8.0344 9.9008 9.9008 13.2570 13.2570 13.6986 13.6986 13.8941 13.8941 13.9192 13.9192 14.1697 14.1697 14.1983 14.1983 k = 0.0000 0.0000 0.2222 ( 2863 PWs) bands (ev): -43.5358 -43.5358 -43.4789 -43.4789 -20.1865 -20.1865 -19.9970 -19.9970 -19.5225 -19.5225 -19.3718 -19.3718 -19.2868 -19.2868 -19.2437 -19.2437 8.1096 8.1096 9.8247 9.8247 13.2490 13.2490 13.6659 13.6659 13.8948 13.8948 13.9197 13.9197 14.1481 14.1481 14.1762 14.1762 k = 0.0000 0.0000 0.2314 ( 2875 PWs) bands (ev): -43.5331 -43.5331 -43.4816 -43.4816 -20.1767 -20.1767 -20.0048 -20.0048 -19.5167 -19.5167 -19.3801 -19.3801 -19.2847 -19.2847 -19.2457 -19.2457 8.1869 8.1869 9.7456 9.7456 13.2451 13.2451 13.6331 13.6331 13.8966 13.8966 13.9215 13.9215 14.1268 14.1268 14.1546 14.1546 k = 0.0000 0.0000 0.2407 ( 2875 PWs) bands (ev): -43.5304 -43.5304 -43.4843 -43.4843 -20.1667 -20.1667 -20.0130 -20.0130 -19.5105 -19.5105 -19.3885 -19.3885 -19.2827 -19.2827 -19.2478 -19.2478 8.2664 8.2664 9.6640 9.6640 13.2452 13.2452 13.6003 13.6003 13.8998 13.8998 13.9245 13.9245 14.1062 14.1062 14.1336 14.1336 k = 0.0000 0.0000 0.2500 ( 2852 PWs) bands (ev): -43.5277 -43.5277 -43.4871 -43.4871 -20.1567 -20.1567 -20.0214 -20.0214 -19.5042 -19.5042 -19.3969 -19.3969 -19.2806 -19.2806 -19.2499 -19.2499 8.3479 8.3479 9.5800 9.5800 13.2491 13.2491 13.5678 13.5678 13.9041 13.9041 13.9289 13.9289 14.0861 14.0861 14.1132 14.1132 k = 0.0000 0.0000 0.2592 ( 2852 PWs) bands (ev): -43.5249 -43.5249 -43.4899 -43.4899 -20.1466 -20.1466 -20.0300 -20.0300 -19.4976 -19.4976 -19.4053 -19.4053 -19.2785 -19.2785 -19.2520 -19.2520 8.4311 8.4311 9.4942 9.4942 13.2566 13.2566 13.5357 13.5357 13.9098 13.9098 13.9345 13.9345 14.0668 14.0668 14.0936 14.0936 k = 0.0000 0.0000 0.2685 ( 2852 PWs) bands (ev): -43.5220 -43.5220 -43.4928 -43.4928 -20.1365 -20.1365 -20.0389 -20.0389 -19.4908 -19.4908 -19.4137 -19.4137 -19.2763 -19.2763 -19.2542 -19.2542 8.5160 8.5160 9.4067 9.4067 13.2673 13.2673 13.5042 13.5042 13.9166 13.9166 13.9414 13.9414 14.0482 14.0482 14.0747 14.0747 k = 0.0000 0.0000 0.2777 ( 2852 PWs) bands (ev): -43.5191 -43.5191 -43.4957 -43.4957 -20.1263 -20.1263 -20.0480 -20.0480 -19.4839 -19.4839 -19.4219 -19.4219 -19.2741 -19.2741 -19.2564 -19.2564 8.6023 8.6023 9.3181 9.3181 13.2812 13.2812 13.4734 13.4734 13.9247 13.9247 13.9496 13.9496 14.0305 14.0305 14.0567 14.0567 k = 0.0000 0.0000 0.2870 ( 2852 PWs) bands (ev): -43.5162 -43.5162 -43.4986 -43.4986 -20.1162 -20.1162 -20.0573 -20.0573 -19.4767 -19.4767 -19.4301 -19.4301 -19.2719 -19.2719 -19.2586 -19.2586 8.6899 8.6899 9.2286 9.2286 13.2979 13.2979 13.4437 13.4437 13.9340 13.9340 13.9590 13.9590 14.0136 14.0136 14.0396 14.0396 k = 0.0000 0.0000 0.2963 ( 2852 PWs) bands (ev): -43.5133 -43.5133 -43.5015 -43.5015 -20.1061 -20.1061 -20.0667 -20.0667 -19.4693 -19.4693 -19.4382 -19.4382 -19.2697 -19.2697 -19.2608 -19.2608 8.7785 8.7785 9.1385 9.1385 13.3171 13.3171 13.4151 13.4151 13.9445 13.9445 13.9696 13.9696 13.9977 13.9977 14.0234 14.0234 k = 0.0000 0.0000 0.3055 ( 2846 PWs) bands (ev): -43.5104 -43.5104 -43.5045 -43.5045 -20.0961 -20.0961 -20.0764 -20.0764 -19.4618 -19.4618 -19.4462 -19.4462 -19.2675 -19.2675 -19.2630 -19.2630 8.8679 8.8679 9.0482 9.0482 13.3387 13.3387 13.3879 13.3879 13.9562 13.9562 13.9814 13.9814 13.9828 13.9828 14.0083 14.0083 k = 0.0000 0.0000 0.3148 ( 2846 PWs) bands (ev): -43.5074 -43.5074 -43.5074 -43.5074 -20.0862 -20.0862 -20.0862 -20.0862 -19.4541 -19.4541 -19.4541 -19.4541 -19.2653 -19.2653 -19.2653 -19.2653 8.9579 8.9579 8.9579 8.9579 13.3624 13.3624 13.3624 13.3624 13.9689 13.9689 13.9689 13.9689 13.9943 13.9943 13.9943 13.9943 k = 0.0000 0.0000 0.3148 ( 2846 PWs) bands (ev): -43.5074 -43.5074 -43.5074 -43.5074 -20.0862 -20.0862 -20.0862 -20.0862 -19.4541 -19.4541 -19.4541 -19.4541 -19.2653 -19.2653 -19.2653 -19.2653 8.9579 8.9579 8.9579 8.9579 13.3624 13.3624 13.3624 13.3624 13.9689 13.9689 13.9689 13.9689 13.9943 13.9943 13.9943 13.9943 k = 0.0081 0.0047 0.3148 ( 2846 PWs) bands (ev): -43.5074 -43.5074 -43.5074 -43.5074 -20.0863 -20.0863 -20.0863 -20.0863 -19.4542 -19.4542 -19.4542 -19.4542 -19.2654 -19.2654 -19.2654 -19.2654 8.9594 8.9594 8.9594 8.9594 13.3612 13.3612 13.3612 13.3612 13.9693 13.9693 13.9693 13.9693 13.9947 13.9947 13.9947 13.9947 k = 0.0161 0.0093 0.3148 ( 2846 PWs) bands (ev): -43.5072 -43.5072 -43.5072 -43.5072 -20.0865 -20.0865 -20.0865 -20.0865 -19.4545 -19.4545 -19.4545 -19.4545 -19.2658 -19.2658 -19.2658 -19.2658 8.9641 8.9641 8.9641 8.9641 13.3575 13.3575 13.3575 13.3575 13.9702 13.9702 13.9702 13.9702 13.9960 13.9960 13.9960 13.9960 k = 0.0242 0.0140 0.3148 ( 2846 PWs) bands (ev): -43.5070 -43.5070 -43.5070 -43.5070 -20.0868 -20.0868 -20.0868 -20.0868 -19.4550 -19.4550 -19.4550 -19.4550 -19.2665 -19.2665 -19.2665 -19.2665 8.9719 8.9719 8.9719 8.9719 13.3515 13.3515 13.3515 13.3515 13.9710 13.9710 13.9710 13.9710 13.9988 13.9988 13.9988 13.9988 k = 0.0323 0.0186 0.3148 ( 2846 PWs) bands (ev): -43.5067 -43.5067 -43.5067 -43.5067 -20.0873 -20.0873 -20.0873 -20.0873 -19.4556 -19.4556 -19.4556 -19.4556 -19.2675 -19.2675 -19.2675 -19.2675 8.9827 8.9827 8.9827 8.9827 13.3432 13.3432 13.3432 13.3432 13.9712 13.9712 13.9712 13.9712 14.0036 14.0036 14.0036 14.0036 k = 0.0403 0.0233 0.3148 ( 2846 PWs) bands (ev): -43.5063 -43.5063 -43.5063 -43.5063 -20.0880 -20.0880 -20.0880 -20.0880 -19.4565 -19.4565 -19.4565 -19.4565 -19.2688 -19.2688 -19.2688 -19.2688 8.9966 8.9966 8.9966 8.9966 13.3327 13.3327 13.3327 13.3327 13.9703 13.9703 13.9703 13.9703 14.0108 14.0108 14.0108 14.0108 k = 0.0484 0.0279 0.3148 ( 2846 PWs) bands (ev): -43.5059 -43.5059 -43.5059 -43.5059 -20.0888 -20.0888 -20.0888 -20.0888 -19.4576 -19.4576 -19.4576 -19.4576 -19.2703 -19.2703 -19.2703 -19.2703 9.0136 9.0136 9.0136 9.0136 13.3202 13.3202 13.3202 13.3202 13.9682 13.9682 13.9682 13.9682 14.0204 14.0204 14.0204 14.0204 k = 0.0565 0.0326 0.3148 ( 2846 PWs) bands (ev): -43.5053 -43.5053 -43.5053 -43.5053 -20.0897 -20.0897 -20.0897 -20.0897 -19.4588 -19.4588 -19.4588 -19.4588 -19.2721 -19.2721 -19.2721 -19.2721 9.0335 9.0335 9.0335 9.0335 13.3057 13.3057 13.3057 13.3057 13.9649 13.9649 13.9649 13.9649 14.0323 14.0323 14.0323 14.0323 k = 0.0645 0.0372 0.3148 ( 2850 PWs) bands (ev): -43.5047 -43.5047 -43.5047 -43.5047 -20.0908 -20.0908 -20.0908 -20.0908 -19.4603 -19.4603 -19.4603 -19.4603 -19.2741 -19.2741 -19.2741 -19.2741 9.0563 9.0563 9.0563 9.0563 13.2896 13.2896 13.2896 13.2896 13.9604 13.9604 13.9604 13.9604 14.0462 14.0462 14.0462 14.0462 k = 0.0726 0.0419 0.3148 ( 2862 PWs) bands (ev): -43.5040 -43.5040 -43.5040 -43.5040 -20.0921 -20.0921 -20.0921 -20.0921 -19.4619 -19.4619 -19.4619 -19.4619 -19.2764 -19.2764 -19.2764 -19.2764 9.0820 9.0820 9.0820 9.0820 13.2719 13.2719 13.2719 13.2719 13.9548 13.9548 13.9548 13.9548 14.0621 14.0621 14.0621 14.0621 k = 0.0806 0.0466 0.3148 ( 2856 PWs) bands (ev): -43.5032 -43.5032 -43.5032 -43.5032 -20.0935 -20.0935 -20.0935 -20.0935 -19.4638 -19.4638 -19.4638 -19.4638 -19.2788 -19.2788 -19.2788 -19.2788 9.1106 9.1106 9.1106 9.1106 13.2528 13.2528 13.2528 13.2528 13.9480 13.9480 13.9480 13.9480 14.0800 14.0800 14.0800 14.0800 k = 0.0887 0.0512 0.3148 ( 2860 PWs) bands (ev): -43.5023 -43.5023 -43.5023 -43.5023 -20.0950 -20.0950 -20.0950 -20.0950 -19.4658 -19.4658 -19.4658 -19.4658 -19.2815 -19.2815 -19.2815 -19.2815 9.1418 9.1418 9.1418 9.1418 13.2325 13.2325 13.2325 13.2325 13.9401 13.9401 13.9401 13.9401 14.0995 14.0995 14.0995 14.0995 k = 0.0968 0.0559 0.3148 ( 2860 PWs) bands (ev): -43.5013 -43.5013 -43.5013 -43.5013 -20.0967 -20.0967 -20.0967 -20.0967 -19.4680 -19.4680 -19.4680 -19.4680 -19.2843 -19.2843 -19.2843 -19.2843 9.1758 9.1758 9.1758 9.1758 13.2111 13.2111 13.2111 13.2111 13.9311 13.9311 13.9311 13.9311 14.1208 14.1208 14.1208 14.1208 k = 0.1048 0.0605 0.3148 ( 2864 PWs) bands (ev): -43.5003 -43.5003 -43.5003 -43.5003 -20.0986 -20.0986 -20.0986 -20.0986 -19.4704 -19.4704 -19.4704 -19.4704 -19.2873 -19.2873 -19.2873 -19.2873 9.2123 9.2123 9.2123 9.2123 13.1889 13.1889 13.1889 13.1889 13.9210 13.9210 13.9210 13.9210 14.1437 14.1437 14.1437 14.1437 k = 0.1129 0.0652 0.3148 ( 2864 PWs) bands (ev): -43.4992 -43.4992 -43.4992 -43.4992 -20.1006 -20.1006 -20.1006 -20.1006 -19.4729 -19.4729 -19.4729 -19.4729 -19.2905 -19.2905 -19.2905 -19.2905 9.2513 9.2513 9.2513 9.2513 13.1659 13.1659 13.1659 13.1659 13.9098 13.9098 13.9098 13.9098 14.1682 14.1682 14.1682 14.1682 k = 0.1210 0.0698 0.3148 ( 2860 PWs) bands (ev): -43.4981 -43.4981 -43.4981 -43.4981 -20.1028 -20.1028 -20.1028 -20.1028 -19.4757 -19.4757 -19.4757 -19.4757 -19.2937 -19.2937 -19.2937 -19.2937 9.2926 9.2926 9.2926 9.2926 13.1424 13.1424 13.1424 13.1424 13.8977 13.8977 13.8977 13.8977 14.1941 14.1941 14.1941 14.1941 k = 0.1290 0.0745 0.3148 ( 2864 PWs) bands (ev): -43.4969 -43.4969 -43.4969 -43.4969 -20.1051 -20.1051 -20.1051 -20.1051 -19.4786 -19.4786 -19.4786 -19.4786 -19.2971 -19.2971 -19.2971 -19.2971 9.3362 9.3362 9.3362 9.3362 13.1184 13.1184 13.1184 13.1184 13.8846 13.8846 13.8846 13.8846 14.2213 14.2213 14.2213 14.2213 k = 0.1371 0.0792 0.3148 ( 2866 PWs) bands (ev): -43.4956 -43.4956 -43.4956 -43.4956 -20.1076 -20.1076 -20.1076 -20.1076 -19.4817 -19.4817 -19.4817 -19.4817 -19.3006 -19.3006 -19.3006 -19.3006 9.3818 9.3818 9.3818 9.3818 13.0941 13.0941 13.0941 13.0941 13.8708 13.8708 13.8708 13.8708 14.2498 14.2498 14.2498 14.2498 k = 0.1452 0.0838 0.3148 ( 2878 PWs) bands (ev): -43.4942 -43.4942 -43.4942 -43.4942 -20.1103 -20.1103 -20.1103 -20.1103 -19.4850 -19.4850 -19.4850 -19.4850 -19.3041 -19.3041 -19.3041 -19.3041 9.4294 9.4294 9.4294 9.4294 13.0696 13.0696 13.0696 13.0696 13.8563 13.8563 13.8563 13.8563 14.2794 14.2794 14.2794 14.2794 k = 0.1532 0.0885 0.3148 ( 2874 PWs) bands (ev): -43.4929 -43.4929 -43.4929 -43.4929 -20.1132 -20.1132 -20.1132 -20.1132 -19.4884 -19.4884 -19.4884 -19.4884 -19.3077 -19.3077 -19.3077 -19.3077 9.4789 9.4789 9.4789 9.4789 13.0450 13.0450 13.0450 13.0450 13.8413 13.8413 13.8413 13.8413 14.3101 14.3101 14.3101 14.3101 k = 0.1613 0.0931 0.3148 ( 2874 PWs) bands (ev): -43.4914 -43.4914 -43.4914 -43.4914 -20.1162 -20.1162 -20.1162 -20.1162 -19.4919 -19.4919 -19.4919 -19.4919 -19.3113 -19.3113 -19.3113 -19.3113 9.5299 9.5299 9.5299 9.5299 13.0206 13.0206 13.0206 13.0206 13.8259 13.8259 13.8259 13.8259 14.3416 14.3416 14.3416 14.3416 k = 0.1694 0.0978 0.3148 ( 2874 PWs) bands (ev): -43.4899 -43.4899 -43.4899 -43.4899 -20.1193 -20.1193 -20.1193 -20.1193 -19.4956 -19.4956 -19.4956 -19.4956 -19.3149 -19.3149 -19.3149 -19.3149 9.5825 9.5825 9.5825 9.5825 12.9962 12.9962 12.9962 12.9962 13.8105 13.8105 13.8105 13.8105 14.3739 14.3739 14.3739 14.3739 k = 0.1774 0.1024 0.3148 ( 2876 PWs) bands (ev): -43.4884 -43.4884 -43.4884 -43.4884 -20.1226 -20.1226 -20.1226 -20.1226 -19.4994 -19.4994 -19.4994 -19.4994 -19.3185 -19.3185 -19.3185 -19.3185 9.6362 9.6362 9.6362 9.6362 12.9722 12.9722 12.9722 12.9722 13.7951 13.7951 13.7951 13.7951 14.4068 14.4068 14.4068 14.4068 k = 0.1855 0.1071 0.3148 ( 2864 PWs) bands (ev): -43.4868 -43.4868 -43.4868 -43.4868 -20.1261 -20.1261 -20.1261 -20.1261 -19.5034 -19.5034 -19.5034 -19.5034 -19.3221 -19.3221 -19.3221 -19.3221 9.6911 9.6911 9.6911 9.6911 12.9485 12.9485 12.9485 12.9485 13.7800 13.7800 13.7800 13.7800 14.4401 14.4401 14.4401 14.4401 k = 0.1935 0.1117 0.3148 ( 2868 PWs) bands (ev): -43.4852 -43.4852 -43.4852 -43.4852 -20.1297 -20.1297 -20.1297 -20.1297 -19.5074 -19.5074 -19.5074 -19.5074 -19.3256 -19.3256 -19.3256 -19.3256 9.7467 9.7467 9.7467 9.7467 12.9253 12.9253 12.9253 12.9253 13.7654 13.7654 13.7654 13.7654 14.4737 14.4737 14.4737 14.4737 k = 0.2016 0.1164 0.3148 ( 2866 PWs) bands (ev): -43.4836 -43.4836 -43.4836 -43.4836 -20.1335 -20.1335 -20.1335 -20.1335 -19.5116 -19.5116 -19.5116 -19.5116 -19.3291 -19.3291 -19.3291 -19.3291 9.8030 9.8030 9.8030 9.8030 12.9025 12.9025 12.9025 12.9025 13.7515 13.7515 13.7515 13.7515 14.5074 14.5074 14.5074 14.5074 k = 0.2097 0.1211 0.3148 ( 2862 PWs) bands (ev): -43.4819 -43.4819 -43.4819 -43.4819 -20.1375 -20.1375 -20.1375 -20.1375 -19.5158 -19.5158 -19.5158 -19.5158 -19.3326 -19.3326 -19.3326 -19.3326 9.8595 9.8595 9.8595 9.8595 12.8804 12.8804 12.8804 12.8804 13.7388 13.7388 13.7388 13.7388 14.5411 14.5411 14.5411 14.5411 k = 0.2177 0.1257 0.3148 ( 2870 PWs) bands (ev): -43.4803 -43.4803 -43.4803 -43.4803 -20.1415 -20.1415 -20.1415 -20.1415 -19.5201 -19.5201 -19.5201 -19.5201 -19.3360 -19.3360 -19.3360 -19.3360 9.9162 9.9162 9.9162 9.9162 12.8589 12.8589 12.8589 12.8589 13.7273 13.7273 13.7273 13.7273 14.5744 14.5744 14.5744 14.5744 k = 0.2258 0.1304 0.3148 ( 2870 PWs) bands (ev): -43.4786 -43.4786 -43.4786 -43.4786 -20.1457 -20.1457 -20.1457 -20.1457 -19.5245 -19.5245 -19.5245 -19.5245 -19.3393 -19.3393 -19.3393 -19.3393 9.9727 9.9727 9.9727 9.9727 12.8381 12.8381 12.8381 12.8381 13.7174 13.7174 13.7174 13.7174 14.6073 14.6073 14.6073 14.6074 k = 0.2339 0.1350 0.3148 ( 2886 PWs) bands (ev): -43.4768 -43.4768 -43.4768 -43.4768 -20.1500 -20.1500 -20.1500 -20.1500 -19.5289 -19.5289 -19.5289 -19.5289 -19.3425 -19.3425 -19.3425 -19.3425 10.0287 10.0287 10.0287 10.0287 12.8181 12.8181 12.8181 12.8181 13.7093 13.7093 13.7093 13.7093 14.6396 14.6396 14.6396 14.6396 k = 0.2419 0.1397 0.3148 ( 2886 PWs) bands (ev): -43.4751 -43.4751 -43.4751 -43.4751 -20.1545 -20.1545 -20.1545 -20.1545 -19.5333 -19.5333 -19.5333 -19.5333 -19.3456 -19.3456 -19.3456 -19.3456 10.0840 10.0840 10.0840 10.0840 12.7988 12.7988 12.7988 12.7988 13.7034 13.7034 13.7034 13.7034 14.6710 14.6710 14.6710 14.6710 k = 0.2500 0.1443 0.3148 ( 2882 PWs) bands (ev): -43.4734 -43.4734 -43.4734 -43.4734 -20.1590 -20.1590 -20.1590 -20.1590 -19.5377 -19.5377 -19.5377 -19.5377 -19.3487 -19.3487 -19.3487 -19.3487 10.1383 10.1383 10.1383 10.1383 12.7802 12.7802 12.7802 12.7802 13.7000 13.7000 13.7000 13.7000 14.7014 14.7014 14.7014 14.7014 k = 0.2581 0.1490 0.3148 ( 2882 PWs) bands (ev): -43.4717 -43.4717 -43.4717 -43.4717 -20.1637 -20.1637 -20.1637 -20.1637 -19.5421 -19.5421 -19.5421 -19.5421 -19.3516 -19.3516 -19.3516 -19.3516 10.1913 10.1913 10.1913 10.1913 12.7625 12.7625 12.7625 12.7625 13.6993 13.6993 13.6993 13.6993 14.7306 14.7306 14.7306 14.7306 k = 0.2661 0.1536 0.3148 ( 2884 PWs) bands (ev): -43.4699 -43.4699 -43.4699 -43.4699 -20.1684 -20.1684 -20.1684 -20.1684 -19.5465 -19.5465 -19.5465 -19.5465 -19.3544 -19.3544 -19.3544 -19.3544 10.2426 10.2426 10.2426 10.2426 12.7455 12.7455 12.7455 12.7455 13.7015 13.7015 13.7015 13.7015 14.7584 14.7584 14.7584 14.7584 k = 0.2742 0.1583 0.3148 ( 2884 PWs) bands (ev): -43.4682 -43.4682 -43.4682 -43.4682 -20.1732 -20.1732 -20.1732 -20.1732 -19.5509 -19.5509 -19.5509 -19.5509 -19.3571 -19.3571 -19.3571 -19.3571 10.2922 10.2922 10.2922 10.2922 12.7292 12.7292 12.7292 12.7292 13.7070 13.7070 13.7070 13.7070 14.7847 14.7847 14.7847 14.7847 k = 0.2823 0.1630 0.3148 ( 2884 PWs) bands (ev): -43.4665 -43.4665 -43.4665 -43.4665 -20.1780 -20.1780 -20.1780 -20.1780 -19.5552 -19.5552 -19.5552 -19.5552 -19.3597 -19.3597 -19.3597 -19.3597 10.3397 10.3397 10.3397 10.3397 12.7136 12.7136 12.7136 12.7136 13.7159 13.7159 13.7159 13.7159 14.8094 14.8094 14.8094 14.8094 k = 0.2903 0.1676 0.3148 ( 2884 PWs) bands (ev): -43.4648 -43.4648 -43.4648 -43.4648 -20.1829 -20.1829 -20.1829 -20.1829 -19.5595 -19.5595 -19.5595 -19.5595 -19.3622 -19.3622 -19.3622 -19.3622 10.3849 10.3849 10.3849 10.3849 12.6987 12.6987 12.6987 12.6987 13.7284 13.7284 13.7284 13.7284 14.8324 14.8324 14.8324 14.8324 k = 0.2984 0.1723 0.3148 ( 2888 PWs) bands (ev): -43.4631 -43.4631 -43.4631 -43.4631 -20.1878 -20.1878 -20.1878 -20.1878 -19.5636 -19.5636 -19.5636 -19.5636 -19.3646 -19.3646 -19.3646 -19.3646 10.4276 10.4276 10.4276 10.4276 12.6843 12.6843 12.6843 12.6843 13.7447 13.7447 13.7447 13.7447 14.8536 14.8536 14.8536 14.8536 k = 0.3065 0.1769 0.3148 ( 2888 PWs) bands (ev): -43.4615 -43.4615 -43.4615 -43.4615 -20.1927 -20.1927 -20.1927 -20.1927 -19.5677 -19.5677 -19.5677 -19.5677 -19.3668 -19.3668 -19.3668 -19.3668 10.4678 10.4678 10.4678 10.4678 12.6706 12.6706 12.6706 12.6706 13.7647 13.7647 13.7647 13.7647 14.8731 14.8731 14.8731 14.8731 k = 0.3145 0.1816 0.3148 ( 2884 PWs) bands (ev): -43.4599 -43.4599 -43.4599 -43.4599 -20.1976 -20.1976 -20.1976 -20.1976 -19.5717 -19.5717 -19.5717 -19.5717 -19.3690 -19.3690 -19.3690 -19.3690 10.5051 10.5051 10.5051 10.5051 12.6573 12.6573 12.6573 12.6573 13.7886 13.7886 13.7886 13.7886 14.8908 14.8908 14.8908 14.8908 k = 0.3226 0.1862 0.3148 ( 2884 PWs) bands (ev): -43.4583 -43.4583 -43.4583 -43.4583 -20.2024 -20.2024 -20.2024 -20.2024 -19.5756 -19.5756 -19.5756 -19.5756 -19.3710 -19.3710 -19.3710 -19.3710 10.5397 10.5397 10.5397 10.5397 12.6446 12.6446 12.6446 12.6446 13.8162 13.8162 13.8162 13.8162 14.9067 14.9067 14.9067 14.9067 k = 0.3306 0.1909 0.3148 ( 2880 PWs) bands (ev): -43.4568 -43.4568 -43.4568 -43.4568 -20.2072 -20.2072 -20.2072 -20.2072 -19.5794 -19.5794 -19.5794 -19.5794 -19.3730 -19.3730 -19.3730 -19.3730 10.5715 10.5715 10.5715 10.5715 12.6323 12.6323 12.6323 12.6323 13.8474 13.8474 13.8474 13.8474 14.9210 14.9210 14.9210 14.9210 k = 0.3387 0.1956 0.3148 ( 2880 PWs) bands (ev): -43.4553 -43.4553 -43.4553 -43.4553 -20.2120 -20.2120 -20.2120 -20.2120 -19.5830 -19.5830 -19.5830 -19.5830 -19.3748 -19.3748 -19.3748 -19.3748 10.6005 10.6005 10.6005 10.6005 12.6204 12.6204 12.6204 12.6204 13.8819 13.8819 13.8819 13.8819 14.9337 14.9337 14.9337 14.9337 k = 0.3468 0.2002 0.3148 ( 2884 PWs) bands (ev): -43.4538 -43.4538 -43.4538 -43.4538 -20.2166 -20.2166 -20.2166 -20.2166 -19.5865 -19.5865 -19.5865 -19.5865 -19.3765 -19.3765 -19.3765 -19.3765 10.6267 10.6267 10.6267 10.6267 12.6089 12.6089 12.6089 12.6089 13.9196 13.9196 13.9196 13.9196 14.9449 14.9449 14.9449 14.9449 k = 0.3548 0.2049 0.3148 ( 2880 PWs) bands (ev): -43.4524 -43.4524 -43.4524 -43.4524 -20.2212 -20.2212 -20.2212 -20.2212 -19.5898 -19.5898 -19.5898 -19.5898 -19.3781 -19.3781 -19.3781 -19.3781 10.6502 10.6502 10.6502 10.6502 12.5979 12.5979 12.5979 12.5979 13.9600 13.9600 13.9600 13.9600 14.9546 14.9546 14.9546 14.9546 k = 0.3629 0.2095 0.3148 ( 2884 PWs) bands (ev): -43.4511 -43.4511 -43.4511 -43.4511 -20.2256 -20.2256 -20.2256 -20.2256 -19.5930 -19.5930 -19.5930 -19.5930 -19.3796 -19.3796 -19.3796 -19.3796 10.6712 10.6712 10.6712 10.6712 12.5873 12.5873 12.5873 12.5873 14.0028 14.0028 14.0028 14.0028 14.9631 14.9631 14.9631 14.9631 k = 0.3710 0.2142 0.3148 ( 2884 PWs) bands (ev): -43.4498 -43.4498 -43.4498 -43.4498 -20.2299 -20.2299 -20.2299 -20.2299 -19.5961 -19.5961 -19.5961 -19.5961 -19.3810 -19.3810 -19.3810 -19.3810 10.6898 10.6898 10.6898 10.6898 12.5771 12.5771 12.5771 12.5771 14.0474 14.0474 14.0474 14.0474 14.9704 14.9704 14.9704 14.9704 k = 0.3790 0.2188 0.3148 ( 2884 PWs) bands (ev): -43.4486 -43.4486 -43.4486 -43.4486 -20.2340 -20.2340 -20.2340 -20.2340 -19.5989 -19.5989 -19.5989 -19.5989 -19.3823 -19.3823 -19.3823 -19.3823 10.7061 10.7061 10.7061 10.7061 12.5673 12.5673 12.5673 12.5673 14.0933 14.0933 14.0933 14.0933 14.9767 14.9767 14.9767 14.9767 k = 0.3871 0.2235 0.3148 ( 2884 PWs) bands (ev): -43.4474 -43.4474 -43.4474 -43.4474 -20.2380 -20.2380 -20.2380 -20.2380 -19.6016 -19.6016 -19.6016 -19.6016 -19.3836 -19.3836 -19.3836 -19.3836 10.7203 10.7203 10.7203 10.7203 12.5580 12.5580 12.5581 12.5581 14.1400 14.1400 14.1400 14.1400 14.9820 14.9820 14.9820 14.9820 k = 0.3952 0.2281 0.3148 ( 2888 PWs) bands (ev): -43.4463 -43.4463 -43.4463 -43.4463 -20.2418 -20.2418 -20.2418 -20.2418 -19.6042 -19.6042 -19.6042 -19.6042 -19.3847 -19.3847 -19.3847 -19.3847 10.7326 10.7326 10.7326 10.7326 12.5493 12.5493 12.5493 12.5493 14.1869 14.1869 14.1869 14.1869 14.9864 14.9864 14.9864 14.9864 k = 0.4032 0.2328 0.3148 ( 2894 PWs) bands (ev): -43.4453 -43.4453 -43.4453 -43.4453 -20.2453 -20.2453 -20.2453 -20.2453 -19.6065 -19.6065 -19.6065 -19.6065 -19.3857 -19.3857 -19.3857 -19.3857 10.7432 10.7432 10.7432 10.7432 12.5410 12.5410 12.5410 12.5410 14.2334 14.2334 14.2334 14.2334 14.9902 14.9902 14.9902 14.9902 k = 0.4113 0.2375 0.3148 ( 2890 PWs) bands (ev): -43.4443 -43.4443 -43.4443 -43.4443 -20.2487 -20.2487 -20.2487 -20.2487 -19.6087 -19.6087 -19.6087 -19.6087 -19.3867 -19.3867 -19.3867 -19.3867 10.7522 10.7522 10.7522 10.7522 12.5333 12.5333 12.5333 12.5333 14.2789 14.2789 14.2789 14.2789 14.9933 14.9933 14.9933 14.9933 k = 0.4194 0.2421 0.3148 ( 2894 PWs) bands (ev): -43.4434 -43.4434 -43.4434 -43.4434 -20.2518 -20.2518 -20.2518 -20.2518 -19.6107 -19.6107 -19.6107 -19.6107 -19.3875 -19.3875 -19.3875 -19.3875 10.7599 10.7599 10.7599 10.7599 12.5261 12.5261 12.5261 12.5261 14.3228 14.3228 14.3228 14.3228 14.9958 14.9958 14.9958 14.9958 k = 0.4274 0.2468 0.3148 ( 2888 PWs) bands (ev): -43.4426 -43.4426 -43.4426 -43.4426 -20.2546 -20.2546 -20.2546 -20.2546 -19.6125 -19.6125 -19.6125 -19.6125 -19.3883 -19.3883 -19.3883 -19.3883 10.7662 10.7662 10.7662 10.7662 12.5196 12.5196 12.5196 12.5196 14.3646 14.3646 14.3646 14.3646 14.9979 14.9979 14.9979 14.9979 k = 0.4355 0.2514 0.3148 ( 2896 PWs) bands (ev): -43.4419 -43.4419 -43.4419 -43.4419 -20.2572 -20.2572 -20.2572 -20.2572 -19.6142 -19.6142 -19.6142 -19.6142 -19.3889 -19.3889 -19.3889 -19.3889 10.7715 10.7715 10.7715 10.7715 12.5136 12.5136 12.5136 12.5136 14.4036 14.4036 14.4036 14.4036 14.9996 14.9996 14.9996 14.9996 k = 0.4435 0.2561 0.3148 ( 2892 PWs) bands (ev): -43.4412 -43.4412 -43.4412 -43.4412 -20.2595 -20.2595 -20.2595 -20.2595 -19.6156 -19.6156 -19.6156 -19.6156 -19.3895 -19.3895 -19.3895 -19.3895 10.7759 10.7759 10.7759 10.7759 12.5083 12.5083 12.5083 12.5083 14.4393 14.4393 14.4393 14.4393 15.0009 15.0009 15.0009 15.0009 k = 0.4516 0.2607 0.3148 ( 2892 PWs) bands (ev): -43.4407 -43.4407 -43.4407 -43.4407 -20.2615 -20.2615 -20.2615 -20.2615 -19.6169 -19.6169 -19.6169 -19.6169 -19.3901 -19.3901 -19.3901 -19.3901 10.7794 10.7794 10.7794 10.7794 12.5037 12.5037 12.5037 12.5037 14.4713 14.4713 14.4713 14.4713 15.0020 15.0020 15.0020 15.0020 k = 0.4597 0.2654 0.3148 ( 2892 PWs) bands (ev): -43.4402 -43.4402 -43.4402 -43.4402 -20.2632 -20.2632 -20.2632 -20.2632 -19.6179 -19.6179 -19.6179 -19.6179 -19.3905 -19.3905 -19.3905 -19.3905 10.7822 10.7822 10.7822 10.7822 12.4998 12.4998 12.4998 12.4998 14.4992 14.4992 14.4992 14.4992 15.0028 15.0028 15.0028 15.0028 k = 0.4677 0.2701 0.3148 ( 2892 PWs) bands (ev): -43.4398 -43.4398 -43.4398 -43.4398 -20.2646 -20.2646 -20.2646 -20.2646 -19.6188 -19.6188 -19.6188 -19.6188 -19.3908 -19.3908 -19.3908 -19.3908 10.7844 10.7844 10.7844 10.7844 12.4965 12.4965 12.4965 12.4965 14.5225 14.5225 14.5225 14.5225 15.0034 15.0034 15.0034 15.0034 k = 0.4758 0.2747 0.3148 ( 2892 PWs) bands (ev): -43.4395 -43.4395 -43.4395 -43.4395 -20.2657 -20.2657 -20.2657 -20.2657 -19.6195 -19.6195 -19.6195 -19.6195 -19.3911 -19.3911 -19.3911 -19.3911 10.7860 10.7860 10.7860 10.7860 12.4940 12.4940 12.4940 12.4940 14.5409 14.5409 14.5409 14.5409 15.0038 15.0038 15.0038 15.0038 k = 0.4839 0.2794 0.3148 ( 2896 PWs) bands (ev): -43.4393 -43.4393 -43.4393 -43.4393 -20.2665 -20.2665 -20.2665 -20.2665 -19.6200 -19.6200 -19.6200 -19.6200 -19.3913 -19.3913 -19.3913 -19.3913 10.7871 10.7871 10.7871 10.7871 12.4922 12.4922 12.4922 12.4922 14.5543 14.5543 14.5543 14.5543 15.0041 15.0041 15.0041 15.0041 k = 0.4919 0.2840 0.3148 ( 2888 PWs) bands (ev): -43.4391 -43.4391 -43.4391 -43.4391 -20.2670 -20.2670 -20.2670 -20.2670 -19.6203 -19.6203 -19.6203 -19.6203 -19.3914 -19.3914 -19.3914 -19.3914 10.7877 10.7877 10.7877 10.7877 12.4911 12.4911 12.4911 12.4911 14.5624 14.5624 14.5624 14.5624 15.0043 15.0043 15.0043 15.0043 k = 0.5000 0.2887 0.3148 ( 2892 PWs) bands (ev): -43.4391 -43.4391 -43.4391 -43.4391 -20.2672 -20.2672 -20.2672 -20.2672 -19.6204 -19.6204 -19.6204 -19.6204 -19.3915 -19.3915 -19.3915 -19.3915 10.7879 10.7879 10.7879 10.7879 12.4907 12.4907 12.4907 12.4907 14.5651 14.5651 14.5651 14.5651 15.0044 15.0044 15.0044 15.0044 k = 0.5000 0.2887 0.3148 ( 2892 PWs) bands (ev): -43.4391 -43.4391 -43.4391 -43.4391 -20.2672 -20.2672 -20.2672 -20.2672 -19.6204 -19.6204 -19.6204 -19.6204 -19.3915 -19.3915 -19.3915 -19.3915 10.7879 10.7879 10.7879 10.7879 12.4907 12.4907 12.4907 12.4907 14.5651 14.5651 14.5651 14.5651 15.0044 15.0044 15.0044 15.0044 k = 0.4954 0.2967 0.3148 ( 2888 PWs) bands (ev): -43.4391 -43.4391 -43.4391 -43.4391 -20.2678 -20.2678 -20.2665 -20.2665 -19.6231 -19.6231 -19.6177 -19.6177 -19.3936 -19.3936 -19.3895 -19.3895 10.7892 10.7892 10.7895 10.7895 12.4914 12.4914 12.4916 12.4916 14.5536 14.5536 14.5565 14.5565 15.0090 15.0090 15.0124 15.0124 k = 0.4907 0.3047 0.3148 ( 2896 PWs) bands (ev): -43.4390 -43.4390 -43.4390 -43.4390 -20.2684 -20.2684 -20.2657 -20.2657 -19.6259 -19.6259 -19.6151 -19.6151 -19.3959 -19.3959 -19.3878 -19.3878 10.7933 10.7933 10.7939 10.7939 12.4937 12.4937 12.4941 12.4941 14.5243 14.5243 14.5295 14.5295 15.0248 15.0248 15.0310 15.0310 k = 0.4861 0.3127 0.3148 ( 2898 PWs) bands (ev): -43.4390 -43.4390 -43.4390 -43.4390 -20.2689 -20.2689 -20.2648 -20.2648 -19.6288 -19.6288 -19.6127 -19.6127 -19.3984 -19.3984 -19.3863 -19.3863 10.8002 10.8002 10.8012 10.8012 12.4975 12.4975 12.4981 12.4981 14.4812 14.4812 14.4880 14.4880 15.0478 15.0478 15.0562 15.0562 k = 0.4815 0.3208 0.3148 ( 2898 PWs) bands (ev): -43.4389 -43.4389 -43.4389 -43.4389 -20.2693 -20.2693 -20.2639 -20.2639 -19.6318 -19.6318 -19.6103 -19.6103 -19.4012 -19.4012 -19.3850 -19.3850 10.8100 10.8100 10.8112 10.8112 12.5029 12.5029 12.5037 12.5037 14.4282 14.4282 14.4360 14.4360 15.0740 15.0740 15.0839 15.0839 k = 0.4769 0.3288 0.3148 ( 2886 PWs) bands (ev): -43.4387 -43.4387 -43.4387 -43.4387 -20.2697 -20.2697 -20.2629 -20.2629 -19.6349 -19.6349 -19.6079 -19.6079 -19.4041 -19.4041 -19.3838 -19.3838 10.8225 10.8225 10.8240 10.8240 12.5098 12.5098 12.5108 12.5108 14.3682 14.3682 14.3766 14.3766 15.1002 15.1002 15.1113 15.1113 k = 0.4722 0.3368 0.3148 ( 2882 PWs) bands (ev): -43.4386 -43.4386 -43.4386 -43.4386 -20.2699 -20.2699 -20.2619 -20.2619 -19.6381 -19.6381 -19.6057 -19.6057 -19.4072 -19.4072 -19.3828 -19.3828 10.8377 10.8377 10.8396 10.8396 12.5182 12.5182 12.5194 12.5194 14.3034 14.3034 14.3121 14.3121 15.1245 15.1245 15.1366 15.1366 k = 0.4676 0.3448 0.3148 ( 2882 PWs) bands (ev): -43.4384 -43.4384 -43.4384 -43.4384 -20.2702 -20.2702 -20.2608 -20.2608 -19.6414 -19.6414 -19.6036 -19.6036 -19.4104 -19.4104 -19.3820 -19.3820 10.8557 10.8557 10.8578 10.8578 12.5281 12.5281 12.5294 12.5294 14.2351 14.2351 14.2440 14.2440 15.1454 15.1454 15.1584 15.1584 k = 0.4630 0.3528 0.3148 ( 2882 PWs) bands (ev): -43.4382 -43.4382 -43.4382 -43.4382 -20.2703 -20.2703 -20.2596 -20.2596 -19.6447 -19.6447 -19.6015 -19.6015 -19.4139 -19.4139 -19.3814 -19.3814 10.8762 10.8762 10.8787 10.8787 12.5393 12.5393 12.5408 12.5408 14.1642 14.1642 14.1732 14.1732 15.1623 15.1623 15.1761 15.1761 k = 0.4583 0.3608 0.3148 ( 2882 PWs) bands (ev): -43.4380 -43.4380 -43.4380 -43.4380 -20.2704 -20.2704 -20.2584 -20.2584 -19.6481 -19.6481 -19.5995 -19.5995 -19.4174 -19.4174 -19.3809 -19.3809 10.8994 10.8994 10.9022 10.9022 12.5518 12.5518 12.5535 12.5535 14.0916 14.0916 14.1005 14.1005 15.1747 15.1747 15.1892 15.1892 k = 0.4537 0.3689 0.3148 ( 2882 PWs) bands (ev): -43.4377 -43.4377 -43.4377 -43.4377 -20.2705 -20.2705 -20.2571 -20.2571 -19.6515 -19.6515 -19.5976 -19.5976 -19.4211 -19.4211 -19.3806 -19.3806 10.9251 10.9251 10.9282 10.9282 12.5655 12.5655 12.5674 12.5674 14.0178 14.0178 14.0266 14.0266 15.1825 15.1825 15.1978 15.1978 k = 0.4491 0.3769 0.3148 ( 2882 PWs) bands (ev): -43.4375 -43.4375 -43.4375 -43.4375 -20.2705 -20.2705 -20.2559 -20.2559 -19.6551 -19.6551 -19.5958 -19.5958 -19.4250 -19.4250 -19.3803 -19.3803 10.9532 10.9532 10.9566 10.9566 12.5803 12.5803 12.5823 12.5823 13.9432 13.9432 13.9519 13.9519 15.1857 15.1857 15.2018 15.2018 k = 0.4444 0.3849 0.3148 ( 2882 PWs) bands (ev): -43.4372 -43.4372 -43.4372 -43.4372 -20.2705 -20.2705 -20.2545 -20.2545 -19.6586 -19.6586 -19.5941 -19.5941 -19.4289 -19.4289 -19.3802 -19.3802 10.9837 10.9837 10.9874 10.9874 12.5961 12.5961 12.5982 12.5982 13.8682 13.8682 13.8768 13.8768 15.1847 15.1847 15.2015 15.2015 k = 0.4398 0.3929 0.3148 ( 2886 PWs) bands (ev): -43.4369 -43.4369 -43.4369 -43.4369 -20.2704 -20.2704 -20.2532 -20.2532 -19.6623 -19.6623 -19.5924 -19.5924 -19.4329 -19.4329 -19.3802 -19.3802 11.0164 11.0164 11.0205 11.0205 12.6127 12.6127 12.6149 12.6149 13.7932 13.7932 13.8017 13.8017 15.1798 15.1798 15.1974 15.1974 k = 0.4352 0.4009 0.3148 ( 2886 PWs) bands (ev): -43.4365 -43.4365 -43.4365 -43.4365 -20.2703 -20.2703 -20.2518 -20.2518 -19.6659 -19.6659 -19.5908 -19.5908 -19.4369 -19.4369 -19.3803 -19.3803 11.0513 11.0513 11.0558 11.0558 12.6300 12.6300 12.6322 12.6322 13.7186 13.7186 13.7268 13.7268 15.1714 15.1714 15.1898 15.1898 k = 0.4306 0.4090 0.3148 ( 2878 PWs) bands (ev): -43.4362 -43.4362 -43.4362 -43.4362 -20.2702 -20.2702 -20.2505 -20.2505 -19.6696 -19.6696 -19.5893 -19.5893 -19.4410 -19.4410 -19.3805 -19.3805 11.0883 11.0883 11.0931 11.0931 12.6476 12.6476 12.6499 12.6499 13.6446 13.6446 13.6525 13.6525 15.1601 15.1601 15.1792 15.1792 k = 0.4259 0.4170 0.3148 ( 2880 PWs) bands (ev): -43.4358 -43.4358 -43.4358 -43.4358 -20.2701 -20.2701 -20.2491 -20.2491 -19.6733 -19.6733 -19.5879 -19.5879 -19.4451 -19.4451 -19.3808 -19.3808 11.1273 11.1273 11.1324 11.1324 12.6654 12.6654 12.6676 12.6676 13.5715 13.5715 13.5791 13.5791 15.1464 15.1464 15.1661 15.1661 k = 0.4213 0.4250 0.3148 ( 2876 PWs) bands (ev): -43.4355 -43.4355 -43.4355 -43.4355 -20.2699 -20.2699 -20.2478 -20.2478 -19.6769 -19.6769 -19.5866 -19.5866 -19.4492 -19.4492 -19.3811 -19.3811 11.1682 11.1682 11.1736 11.1736 12.6831 12.6831 12.6851 12.6851 13.4997 13.4997 13.5070 13.5070 15.1308 15.1308 15.1512 15.1512 k = 0.4167 0.4330 0.3148 ( 2876 PWs) bands (ev): -43.4351 -43.4351 -43.4351 -43.4351 -20.2698 -20.2698 -20.2464 -20.2464 -19.6806 -19.6806 -19.5854 -19.5854 -19.4532 -19.4532 -19.3814 -19.3814 11.2108 11.2108 11.2165 11.2165 12.7000 12.7000 12.7018 12.7018 13.4298 13.4298 13.4365 13.4365 15.1138 15.1138 15.1348 15.1348 k = 0.4120 0.4410 0.3148 ( 2880 PWs) bands (ev): -43.4348 -43.4348 -43.4348 -43.4348 -20.2696 -20.2696 -20.2451 -20.2451 -19.6841 -19.6841 -19.5843 -19.5843 -19.4572 -19.4572 -19.3818 -19.3818 11.2550 11.2550 11.2611 11.2611 12.7157 12.7157 12.7172 12.7172 13.3622 13.3622 13.3683 13.3683 15.0959 15.0959 15.1175 15.1175 k = 0.4074 0.4491 0.3148 ( 2880 PWs) bands (ev): -43.4344 -43.4344 -43.4344 -43.4344 -20.2695 -20.2695 -20.2439 -20.2439 -19.6877 -19.6877 -19.5833 -19.5833 -19.4611 -19.4611 -19.3822 -19.3822 11.3008 11.3008 11.3071 11.3071 12.7293 12.7293 12.7302 12.7302 13.2977 13.2977 13.3030 13.3030 15.0776 15.0776 15.0998 15.0998 k = 0.4028 0.4571 0.3148 ( 2880 PWs) bands (ev): -43.4340 -43.4340 -43.4340 -43.4340 -20.2693 -20.2693 -20.2427 -20.2427 -19.6911 -19.6911 -19.5823 -19.5823 -19.4648 -19.4648 -19.3826 -19.3826 11.3479 11.3479 11.3546 11.3546 12.7398 12.7398 12.7398 12.7398 13.2375 13.2375 13.2417 13.2417 15.0593 15.0593 15.0821 15.0821 k = 0.3981 0.4651 0.3148 ( 2882 PWs) bands (ev): -43.4337 -43.4337 -43.4337 -43.4337 -20.2692 -20.2692 -20.2415 -20.2415 -19.6945 -19.6945 -19.5815 -19.5815 -19.4684 -19.4684 -19.3831 -19.3831 11.3963 11.3963 11.4033 11.4033 12.7442 12.7442 12.7454 12.7454 13.1830 13.1830 13.1859 13.1859 15.0414 15.0414 15.0647 15.0647 k = 0.3935 0.4731 0.3148 ( 2886 PWs) bands (ev): -43.4333 -43.4333 -43.4333 -43.4333 -20.2691 -20.2691 -20.2405 -20.2405 -19.6977 -19.6977 -19.5808 -19.5808 -19.4719 -19.4719 -19.3835 -19.3835 11.4458 11.4458 11.4531 11.4531 12.7414 12.7414 12.7441 12.7441 13.1364 13.1364 13.1375 13.1375 15.0242 15.0242 15.0480 15.0480 k = 0.3889 0.4811 0.3148 ( 2876 PWs) bands (ev): -43.4330 -43.4330 -43.4330 -43.4330 -20.2690 -20.2690 -20.2394 -20.2394 -19.7008 -19.7008 -19.5802 -19.5802 -19.4751 -19.4751 -19.3839 -19.3839 11.4963 11.4963 11.5039 11.5039 12.7292 12.7292 12.7338 12.7338 13.0986 13.0986 13.0996 13.0996 15.0081 15.0081 15.0324 15.0324 k = 0.3843 0.4891 0.3148 ( 2876 PWs) bands (ev): -43.4326 -43.4326 -43.4326 -43.4326 -20.2689 -20.2689 -20.2385 -20.2385 -19.7037 -19.7037 -19.5796 -19.5796 -19.4781 -19.4781 -19.3844 -19.3844 11.5476 11.5476 11.5555 11.5555 12.7063 12.7063 12.7126 12.7126 13.0707 13.0707 13.0737 13.0737 14.9933 14.9933 15.0181 15.0181 k = 0.3796 0.4972 0.3148 ( 2876 PWs) bands (ev): -43.4323 -43.4323 -43.4323 -43.4323 -20.2689 -20.2689 -20.2377 -20.2377 -19.7065 -19.7065 -19.5792 -19.5792 -19.4809 -19.4809 -19.3848 -19.3848 11.5997 11.5997 11.6078 11.6078 12.6731 12.6731 12.6809 12.6809 13.0535 13.0535 13.0582 13.0582 14.9800 14.9800 15.0052 15.0052 k = 0.3750 0.5052 0.3148 ( 2880 PWs) bands (ev): -43.4320 -43.4320 -43.4320 -43.4320 -20.2688 -20.2688 -20.2369 -20.2369 -19.7091 -19.7091 -19.5789 -19.5789 -19.4834 -19.4834 -19.3851 -19.3851 11.6522 11.6522 11.6607 11.6607 12.6317 12.6317 12.6405 12.6405 13.0450 13.0450 13.0508 13.0508 14.9684 14.9684 14.9941 14.9941 k = 0.3704 0.5132 0.3148 ( 2878 PWs) bands (ev): -43.4317 -43.4317 -43.4317 -43.4317 -20.2688 -20.2688 -20.2362 -20.2362 -19.7114 -19.7114 -19.5787 -19.5787 -19.4857 -19.4857 -19.3855 -19.3855 11.7051 11.7051 11.7139 11.7139 12.5847 12.5847 12.5941 12.5941 13.0424 13.0424 13.0491 13.0491 14.9586 14.9586 14.9846 14.9846 k = 0.3657 0.5212 0.3148 ( 2878 PWs) bands (ev): -43.4315 -43.4315 -43.4315 -43.4315 -20.2689 -20.2689 -20.2357 -20.2357 -19.7135 -19.7135 -19.5785 -19.5785 -19.4877 -19.4877 -19.3858 -19.3858 11.7581 11.7581 11.7672 11.7672 12.5343 12.5343 12.5439 12.5439 13.0435 13.0435 13.0506 13.0506 14.9506 14.9506 14.9770 14.9770 k = 0.3611 0.5292 0.3148 ( 2882 PWs) bands (ev): -43.4312 -43.4312 -43.4312 -43.4312 -20.2689 -20.2689 -20.2352 -20.2352 -19.7154 -19.7154 -19.5784 -19.5784 -19.4894 -19.4894 -19.3861 -19.3861 11.8111 11.8111 11.8204 11.8204 12.4821 12.4821 12.4918 12.4918 13.0464 13.0464 13.0538 13.0538 14.9443 14.9443 14.9710 14.9710 k = 0.3565 0.5373 0.3148 ( 2886 PWs) bands (ev): -43.4310 -43.4310 -43.4310 -43.4310 -20.2689 -20.2689 -20.2348 -20.2348 -19.7170 -19.7170 -19.5784 -19.5784 -19.4908 -19.4908 -19.3863 -19.3863 11.8636 11.8636 11.8732 11.8732 12.4295 12.4295 12.4392 12.4392 13.0500 13.0500 13.0576 13.0576 14.9397 14.9397 14.9667 14.9667 k = 0.3519 0.5453 0.3148 ( 2890 PWs) bands (ev): -43.4309 -43.4309 -43.4309 -43.4309 -20.2690 -20.2690 -20.2345 -20.2345 -19.7183 -19.7183 -19.5784 -19.5784 -19.4920 -19.4920 -19.3865 -19.3865 11.9151 11.9151 11.9251 11.9251 12.3775 12.3775 12.3870 12.3870 13.0535 13.0535 13.0612 13.0612 14.9365 14.9365 14.9638 14.9638 k = 0.3472 0.5533 0.3148 ( 2902 PWs) bands (ev): -43.4307 -43.4307 -43.4307 -43.4307 -20.2690 -20.2690 -20.2343 -20.2343 -19.7194 -19.7194 -19.5785 -19.5785 -19.4928 -19.4928 -19.3867 -19.3867 11.9647 11.9647 11.9750 11.9750 12.3273 12.3273 12.3366 12.3366 13.0564 13.0564 13.0643 13.0643 14.9346 14.9346 14.9620 14.9620 k = 0.3426 0.5613 0.3148 ( 2910 PWs) bands (ev): -43.4306 -43.4306 -43.4306 -43.4306 -20.2691 -20.2691 -20.2341 -20.2341 -19.7201 -19.7201 -19.5785 -19.5785 -19.4935 -19.4935 -19.3868 -19.3868 12.0103 12.0103 12.0211 12.0211 12.2812 12.2812 12.2902 12.2902 13.0586 13.0586 13.0665 13.0665 14.9337 14.9337 14.9612 14.9612 k = 0.3380 0.5693 0.3148 ( 2910 PWs) bands (ev): -43.4306 -43.4306 -43.4306 -43.4306 -20.2691 -20.2691 -20.2340 -20.2340 -19.7206 -19.7206 -19.5786 -19.5786 -19.4938 -19.4938 -19.3869 -19.3869 12.0468 12.0468 12.0582 12.0582 12.2445 12.2445 12.2530 12.2530 13.0600 13.0600 13.0679 13.0679 14.9333 14.9333 14.9610 14.9610 k = 0.3333 0.5774 0.3148 ( 2910 PWs) bands (ev): -43.4305 -43.4305 -43.4305 -43.4305 -20.2692 -20.2692 -20.2340 -20.2340 -19.7207 -19.7207 -19.5786 -19.5786 -19.4939 -19.4939 -19.3869 -19.3869 12.0622 12.0622 12.0739 12.0739 12.2290 12.2290 12.2372 12.2372 13.0604 13.0604 13.0683 13.0683 14.9333 14.9333 14.9610 14.9610 k = 0.3333 0.5774 0.3148 ( 2910 PWs) bands (ev): -43.4305 -43.4305 -43.4305 -43.4305 -20.2692 -20.2692 -20.2340 -20.2340 -19.7207 -19.7207 -19.5786 -19.5786 -19.4939 -19.4939 -19.3869 -19.3869 12.0622 12.0622 12.0739 12.0739 12.2290 12.2290 12.2372 12.2372 13.0604 13.0604 13.0683 13.0683 14.9333 14.9333 14.9610 14.9610 k = 0.3286 0.5692 0.3148 ( 2910 PWs) bands (ev): -43.4306 -43.4306 -43.4306 -43.4306 -20.2691 -20.2691 -20.2340 -20.2340 -19.7206 -19.7206 -19.5786 -19.5786 -19.4938 -19.4938 -19.3869 -19.3869 12.0469 12.0469 12.0582 12.0582 12.2444 12.2444 12.2529 12.2529 13.0600 13.0600 13.0679 13.0679 14.9332 14.9332 14.9609 14.9609 k = 0.3239 0.5611 0.3148 ( 2910 PWs) bands (ev): -43.4306 -43.4306 -43.4306 -43.4306 -20.2691 -20.2691 -20.2341 -20.2341 -19.7201 -19.7201 -19.5785 -19.5785 -19.4935 -19.4935 -19.3868 -19.3868 12.0117 12.0117 12.0226 12.0226 12.2796 12.2796 12.2885 12.2885 13.0589 13.0589 13.0668 13.0668 14.9327 14.9327 14.9603 14.9603 k = 0.3192 0.5530 0.3148 ( 2898 PWs) bands (ev): -43.4307 -43.4307 -43.4307 -43.4307 -20.2689 -20.2689 -20.2342 -20.2342 -19.7193 -19.7193 -19.5783 -19.5783 -19.4929 -19.4929 -19.3867 -19.3867 11.9690 11.9690 11.9795 11.9795 12.3220 12.3220 12.3312 12.3312 13.0574 13.0574 13.0652 13.0652 14.9315 14.9315 14.9589 14.9589 k = 0.3146 0.5448 0.3148 ( 2898 PWs) bands (ev): -43.4309 -43.4309 -43.4309 -43.4309 -20.2688 -20.2688 -20.2342 -20.2342 -19.7182 -19.7182 -19.5781 -19.5781 -19.4921 -19.4921 -19.3865 -19.3865 11.9238 11.9238 11.9340 11.9340 12.3665 12.3665 12.3758 12.3758 13.0557 13.0557 13.0633 13.0633 14.9293 14.9293 14.9564 14.9564 k = 0.3099 0.5367 0.3148 ( 2898 PWs) bands (ev): -43.4311 -43.4311 -43.4311 -43.4311 -20.2685 -20.2685 -20.2343 -20.2343 -19.7168 -19.7168 -19.5778 -19.5778 -19.4912 -19.4912 -19.3863 -19.3863 11.8779 11.8779 11.8879 11.8879 12.4110 12.4110 12.4202 12.4202 13.0540 13.0540 13.0614 13.0614 14.9258 14.9258 14.9527 14.9527 k = 0.3052 0.5286 0.3148 ( 2890 PWs) bands (ev): -43.4314 -43.4314 -43.4314 -43.4314 -20.2681 -20.2681 -20.2343 -20.2343 -19.7152 -19.7152 -19.5774 -19.5774 -19.4900 -19.4900 -19.3860 -19.3860 11.8321 11.8321 11.8419 11.8419 12.4543 12.4543 12.4633 12.4633 13.0528 13.0528 13.0599 13.0599 14.9211 14.9211 14.9477 14.9477 k = 0.3005 0.5204 0.3148 ( 2890 PWs) bands (ev): -43.4318 -43.4318 -43.4318 -43.4318 -20.2676 -20.2676 -20.2343 -20.2343 -19.7132 -19.7132 -19.5768 -19.5768 -19.4887 -19.4887 -19.3857 -19.3857 11.7867 11.7867 11.7963 11.7963 12.4957 12.4957 12.5045 12.5045 13.0525 13.0525 13.0591 13.0591 14.9149 14.9149 14.9411 14.9411 k = 0.2958 0.5123 0.3148 ( 2894 PWs) bands (ev): -43.4321 -43.4321 -43.4321 -43.4321 -20.2670 -20.2670 -20.2342 -20.2342 -19.7109 -19.7109 -19.5762 -19.5762 -19.4872 -19.4872 -19.3853 -19.3853 11.7419 11.7419 11.7513 11.7513 12.5348 12.5348 12.5430 12.5430 13.0534 13.0534 13.0594 13.0594 14.9074 14.9074 14.9332 14.9332 k = 0.2911 0.5042 0.3148 ( 2896 PWs) bands (ev): -43.4326 -43.4326 -43.4326 -43.4326 -20.2663 -20.2663 -20.2340 -20.2340 -19.7084 -19.7084 -19.5755 -19.5755 -19.4855 -19.4855 -19.3848 -19.3848 11.6978 11.6978 11.7070 11.7070 12.5709 12.5709 12.5785 12.5785 13.0559 13.0559 13.0612 13.0612 14.8986 14.8986 14.9240 14.9240 k = 0.2864 0.4960 0.3148 ( 2900 PWs) bands (ev): -43.4331 -43.4331 -43.4331 -43.4331 -20.2654 -20.2654 -20.2337 -20.2337 -19.7057 -19.7057 -19.5747 -19.5747 -19.4836 -19.4836 -19.3843 -19.3843 11.6542 11.6542 11.6632 11.6632 12.6036 12.6036 12.6104 12.6104 13.0605 13.0605 13.0648 13.0648 14.8888 14.8888 14.9137 14.9137 k = 0.2817 0.4879 0.3148 ( 2888 PWs) bands (ev): -43.4337 -43.4337 -43.4337 -43.4337 -20.2644 -20.2644 -20.2333 -20.2333 -19.7027 -19.7027 -19.5738 -19.5738 -19.4816 -19.4816 -19.3838 -19.3838 11.6113 11.6113 11.6201 11.6201 12.6326 12.6326 12.6383 12.6383 13.0674 13.0674 13.0707 13.0707 14.8780 14.8780 14.9025 14.9025 k = 0.2770 0.4798 0.3148 ( 2884 PWs) bands (ev): -43.4343 -43.4343 -43.4343 -43.4343 -20.2632 -20.2632 -20.2328 -20.2328 -19.6994 -19.6994 -19.5727 -19.5727 -19.4795 -19.4795 -19.3832 -19.3832 11.5689 11.5689 11.5776 11.5776 12.6575 12.6575 12.6621 12.6621 13.0769 13.0769 13.0790 13.0790 14.8667 14.8667 14.8907 14.8907 k = 0.2723 0.4716 0.3148 ( 2888 PWs) bands (ev): -43.4350 -43.4350 -43.4350 -43.4350 -20.2618 -20.2618 -20.2321 -20.2321 -19.6960 -19.6960 -19.5717 -19.5717 -19.4771 -19.4771 -19.3825 -19.3825 11.5270 11.5270 11.5355 11.5355 12.6783 12.6783 12.6816 12.6816 13.0890 13.0890 13.0897 13.0897 14.8550 14.8550 14.8785 14.8785 k = 0.2676 0.4635 0.3148 ( 2880 PWs) bands (ev): -43.4358 -43.4358 -43.4358 -43.4358 -20.2603 -20.2603 -20.2313 -20.2313 -19.6923 -19.6923 -19.5705 -19.5705 -19.4746 -19.4746 -19.3818 -19.3818 11.4855 11.4855 11.4938 11.4938 12.6950 12.6950 12.6970 12.6970 13.1028 13.1028 13.1034 13.1034 14.8432 14.8432 14.8663 14.8663 k = 0.2629 0.4554 0.3148 ( 2880 PWs) bands (ev): -43.4366 -43.4366 -43.4366 -43.4366 -20.2586 -20.2586 -20.2303 -20.2303 -19.6884 -19.6884 -19.5692 -19.5692 -19.4720 -19.4720 -19.3810 -19.3810 11.4443 11.4443 11.4524 11.4524 12.7079 12.7079 12.7087 12.7087 13.1180 13.1180 13.1199 13.1199 14.8317 14.8317 14.8543 14.8543 k = 0.2582 0.4472 0.3148 ( 2880 PWs) bands (ev): -43.4374 -43.4374 -43.4374 -43.4374 -20.2566 -20.2566 -20.2292 -20.2292 -19.6844 -19.6844 -19.5679 -19.5679 -19.4692 -19.4692 -19.3801 -19.3801 11.4033 11.4033 11.4111 11.4111 12.7172 12.7172 12.7175 12.7175 13.1347 13.1347 13.1377 13.1377 14.8208 14.8208 14.8429 14.8429 k = 0.2535 0.4391 0.3148 ( 2876 PWs) bands (ev): -43.4384 -43.4384 -43.4384 -43.4384 -20.2545 -20.2545 -20.2278 -20.2278 -19.6802 -19.6802 -19.5665 -19.5665 -19.4663 -19.4663 -19.3792 -19.3792 11.3623 11.3623 11.3699 11.3699 12.7231 12.7231 12.7243 12.7243 13.1525 13.1525 13.1566 13.1566 14.8106 14.8106 14.8323 14.8323 k = 0.2488 0.4310 0.3148 ( 2876 PWs) bands (ev): -43.4394 -43.4394 -43.4394 -43.4394 -20.2521 -20.2521 -20.2263 -20.2263 -19.6758 -19.6758 -19.5650 -19.5650 -19.4632 -19.4632 -19.3783 -19.3783 11.3212 11.3212 11.3286 11.3286 12.7267 12.7267 12.7288 12.7288 13.1710 13.1710 13.1758 13.1758 14.8015 14.8015 14.8227 14.8227 k = 0.2441 0.4228 0.3148 ( 2880 PWs) bands (ev): -43.4404 -43.4404 -43.4404 -43.4404 -20.2496 -20.2496 -20.2245 -20.2245 -19.6713 -19.6713 -19.5635 -19.5635 -19.4600 -19.4600 -19.3772 -19.3772 11.2799 11.2799 11.2870 11.2870 12.7287 12.7287 12.7314 12.7314 13.1896 13.1896 13.1951 13.1951 14.7937 14.7937 14.8144 14.8144 k = 0.2394 0.4147 0.3148 ( 2880 PWs) bands (ev): -43.4416 -43.4416 -43.4416 -43.4416 -20.2468 -20.2468 -20.2226 -20.2226 -19.6666 -19.6666 -19.5619 -19.5619 -19.4567 -19.4567 -19.3762 -19.3762 11.2382 11.2382 11.2451 11.2451 12.7295 12.7295 12.7327 12.7327 13.2081 13.2081 13.2140 13.2140 14.7872 14.7872 14.8074 14.8074 k = 0.2347 0.4066 0.3148 ( 2880 PWs) bands (ev): -43.4427 -43.4427 -43.4427 -43.4427 -20.2439 -20.2439 -20.2205 -20.2205 -19.6618 -19.6618 -19.5603 -19.5603 -19.4532 -19.4532 -19.3750 -19.3750 11.1960 11.1960 11.2027 11.2027 12.7293 12.7293 12.7329 12.7329 13.2262 13.2262 13.2325 13.2325 14.7822 14.7822 14.8018 14.8018 k = 0.2300 0.3985 0.3148 ( 2868 PWs) bands (ev): -43.4440 -43.4440 -43.4440 -43.4440 -20.2408 -20.2408 -20.2182 -20.2182 -19.6568 -19.6568 -19.5586 -19.5586 -19.4496 -19.4496 -19.3738 -19.3738 11.1532 11.1532 11.1596 11.1596 12.7286 12.7286 12.7324 12.7324 13.2439 13.2439 13.2503 13.2503 14.7786 14.7786 14.7977 14.7977 k = 0.2254 0.3903 0.3148 ( 2868 PWs) bands (ev): -43.4452 -43.4452 -43.4452 -43.4452 -20.2374 -20.2374 -20.2157 -20.2157 -19.6518 -19.6518 -19.5568 -19.5568 -19.4458 -19.4458 -19.3725 -19.3725 11.1097 11.1097 11.1158 11.1158 12.7276 12.7276 12.7315 12.7315 13.2609 13.2609 13.2675 13.2675 14.7763 14.7763 14.7950 14.7950 k = 0.2207 0.3822 0.3148 ( 2868 PWs) bands (ev): -43.4466 -43.4466 -43.4466 -43.4466 -20.2339 -20.2339 -20.2130 -20.2130 -19.6466 -19.6466 -19.5550 -19.5550 -19.4420 -19.4420 -19.3712 -19.3712 11.0652 11.0652 11.0710 11.0710 12.7264 12.7264 12.7304 12.7304 13.2775 13.2775 13.2840 13.2840 14.7754 14.7754 14.7935 14.7935 k = 0.2160 0.3741 0.3148 ( 2868 PWs) bands (ev): -43.4480 -43.4480 -43.4480 -43.4480 -20.2302 -20.2302 -20.2102 -20.2102 -19.6414 -19.6414 -19.5531 -19.5531 -19.4380 -19.4380 -19.3698 -19.3698 11.0197 11.0197 11.0252 11.0252 12.7253 12.7253 12.7293 12.7293 13.2935 13.2935 13.3000 13.3000 14.7756 14.7756 14.7932 14.7932 k = 0.2113 0.3659 0.3148 ( 2872 PWs) bands (ev): -43.4494 -43.4494 -43.4494 -43.4494 -20.2263 -20.2263 -20.2072 -20.2072 -19.6360 -19.6360 -19.5512 -19.5512 -19.4340 -19.4340 -19.3683 -19.3683 10.9731 10.9731 10.9783 10.9783 12.7244 12.7244 12.7284 12.7284 13.3093 13.3093 13.3156 13.3156 14.7766 14.7766 14.7936 14.7936 k = 0.2066 0.3578 0.3148 ( 2868 PWs) bands (ev): -43.4509 -43.4509 -43.4509 -43.4509 -20.2223 -20.2223 -20.2040 -20.2040 -19.6306 -19.6306 -19.5492 -19.5492 -19.4298 -19.4298 -19.3667 -19.3667 10.9253 10.9253 10.9302 10.9302 12.7239 12.7239 12.7278 12.7278 13.3249 13.3249 13.3309 13.3309 14.7782 14.7782 14.7947 14.7947 k = 0.2019 0.3497 0.3148 ( 2860 PWs) bands (ev): -43.4524 -43.4524 -43.4524 -43.4524 -20.2181 -20.2181 -20.2007 -20.2007 -19.6251 -19.6251 -19.5472 -19.5472 -19.4256 -19.4256 -19.3651 -19.3651 10.8762 10.8762 10.8809 10.8809 12.7240 12.7240 12.7277 12.7277 13.3404 13.3404 13.3462 13.3462 14.7801 14.7801 14.7960 14.7960 k = 0.1972 0.3415 0.3148 ( 2868 PWs) bands (ev): -43.4540 -43.4540 -43.4540 -43.4540 -20.2138 -20.2138 -20.1972 -20.1972 -19.6195 -19.6195 -19.5451 -19.5451 -19.4212 -19.4212 -19.3634 -19.3634 10.8258 10.8258 10.8302 10.8302 12.7247 12.7247 12.7282 12.7282 13.3560 13.3560 13.3616 13.3616 14.7819 14.7819 14.7972 14.7972 k = 0.1925 0.3334 0.3148 ( 2874 PWs) bands (ev): -43.4555 -43.4555 -43.4555 -43.4555 -20.2094 -20.2094 -20.1936 -20.1936 -19.6139 -19.6139 -19.5429 -19.5429 -19.4168 -19.4168 -19.3616 -19.3616 10.7740 10.7740 10.7781 10.7781 12.7262 12.7262 12.7295 12.7295 13.3719 13.3719 13.3772 13.3772 14.7831 14.7831 14.7979 14.7979 k = 0.1878 0.3253 0.3148 ( 2878 PWs) bands (ev): -43.4572 -43.4572 -43.4572 -43.4572 -20.2049 -20.2049 -20.1899 -20.1899 -19.6082 -19.6082 -19.5407 -19.5407 -19.4123 -19.4123 -19.3598 -19.3598 10.7209 10.7209 10.7247 10.7247 12.7285 12.7285 12.7317 12.7317 13.3881 13.3881 13.3932 13.3932 14.7835 14.7835 14.7978 14.7978 k = 0.1831 0.3171 0.3148 ( 2878 PWs) bands (ev): -43.4588 -43.4588 -43.4588 -43.4588 -20.2003 -20.2003 -20.1861 -20.1861 -19.6025 -19.6025 -19.5384 -19.5384 -19.4077 -19.4077 -19.3579 -19.3579 10.6665 10.6665 10.6700 10.6700 12.7319 12.7319 12.7348 12.7348 13.4049 13.4049 13.4096 13.4096 14.7827 14.7827 14.7963 14.7963 k = 0.1784 0.3090 0.3148 ( 2878 PWs) bands (ev): -43.4605 -43.4605 -43.4605 -43.4605 -20.1956 -20.1956 -20.1822 -20.1822 -19.5967 -19.5967 -19.5361 -19.5361 -19.4031 -19.4031 -19.3559 -19.3559 10.6108 10.6108 10.6141 10.6141 12.7364 12.7364 12.7391 12.7391 13.4222 13.4222 13.4266 13.4266 14.7802 14.7802 14.7932 14.7932 k = 0.1737 0.3009 0.3148 ( 2874 PWs) bands (ev): -43.4622 -43.4622 -43.4622 -43.4622 -20.1909 -20.1909 -20.1783 -20.1783 -19.5909 -19.5909 -19.5337 -19.5337 -19.3984 -19.3984 -19.3538 -19.3538 10.5540 10.5540 10.5569 10.5569 12.7420 12.7420 12.7445 12.7445 13.4401 13.4401 13.4443 13.4443 14.7757 14.7757 14.7881 14.7881 k = 0.1690 0.2927 0.3148 ( 2874 PWs) bands (ev): -43.4640 -43.4640 -43.4640 -43.4640 -20.1861 -20.1861 -20.1743 -20.1743 -19.5850 -19.5850 -19.5312 -19.5312 -19.3937 -19.3937 -19.3517 -19.3517 10.4960 10.4960 10.4987 10.4987 12.7489 12.7489 12.7511 12.7511 13.4587 13.4587 13.4626 13.4626 14.7688 14.7688 14.7807 14.7807 k = 0.1643 0.2846 0.3148 ( 2878 PWs) bands (ev): -43.4657 -43.4657 -43.4657 -43.4657 -20.1813 -20.1813 -20.1703 -20.1703 -19.5792 -19.5792 -19.5286 -19.5286 -19.3889 -19.3889 -19.3495 -19.3495 10.4370 10.4370 10.4394 10.4394 12.7570 12.7570 12.7590 12.7590 13.4779 13.4779 13.4815 13.4815 14.7594 14.7594 14.7706 14.7706 k = 0.1596 0.2765 0.3148 ( 2878 PWs) bands (ev): -43.4675 -43.4675 -43.4675 -43.4675 -20.1766 -20.1766 -20.1662 -20.1662 -19.5733 -19.5733 -19.5260 -19.5260 -19.3841 -19.3841 -19.3472 -19.3472 10.3771 10.3771 10.3793 10.3793 12.7665 12.7665 12.7683 12.7683 13.4978 13.4978 13.5012 13.5012 14.7471 14.7471 14.7578 14.7578 k = 0.1549 0.2683 0.3148 ( 2878 PWs) bands (ev): -43.4692 -43.4692 -43.4692 -43.4692 -20.1718 -20.1718 -20.1622 -20.1622 -19.5675 -19.5675 -19.5234 -19.5234 -19.3793 -19.3793 -19.3448 -19.3448 10.3165 10.3165 10.3185 10.3185 12.7772 12.7772 12.7788 12.7788 13.5183 13.5183 13.5215 13.5215 14.7320 14.7320 14.7420 14.7420 k = 0.1502 0.2602 0.3148 ( 2878 PWs) bands (ev): -43.4710 -43.4710 -43.4710 -43.4710 -20.1670 -20.1670 -20.1581 -20.1581 -19.5616 -19.5616 -19.5207 -19.5207 -19.3744 -19.3744 -19.3424 -19.3424 10.2554 10.2554 10.2572 10.2572 12.7893 12.7893 12.7907 12.7907 13.5394 13.5394 13.5424 13.5424 14.7140 14.7140 14.7233 14.7233 k = 0.1455 0.2521 0.3148 ( 2882 PWs) bands (ev): -43.4728 -43.4728 -43.4728 -43.4728 -20.1624 -20.1624 -20.1541 -20.1541 -19.5558 -19.5558 -19.5179 -19.5179 -19.3696 -19.3696 -19.3399 -19.3399 10.1938 10.1938 10.1954 10.1954 12.8027 12.8027 12.8039 12.8039 13.5610 13.5610 13.5638 13.5638 14.6931 14.6931 14.7018 14.7018 k = 0.1408 0.2440 0.3148 ( 2886 PWs) bands (ev): -43.4746 -43.4746 -43.4746 -43.4746 -20.1577 -20.1577 -20.1502 -20.1502 -19.5501 -19.5501 -19.5151 -19.5151 -19.3647 -19.3647 -19.3373 -19.3373 10.1320 10.1320 10.1335 10.1335 12.8173 12.8173 12.8184 12.8184 13.5830 13.5830 13.5856 13.5856 14.6695 14.6695 14.6776 14.6776 k = 0.1362 0.2358 0.3148 ( 2890 PWs) bands (ev): -43.4763 -43.4763 -43.4763 -43.4763 -20.1532 -20.1532 -20.1463 -20.1463 -19.5444 -19.5444 -19.5123 -19.5123 -19.3598 -19.3598 -19.3346 -19.3346 10.0702 10.0702 10.0715 10.0715 12.8332 12.8332 12.8341 12.8341 13.6053 13.6053 13.6078 13.6078 14.6435 14.6435 14.6510 14.6510 k = 0.1315 0.2277 0.3148 ( 2886 PWs) bands (ev): -43.4781 -43.4781 -43.4781 -43.4781 -20.1487 -20.1487 -20.1424 -20.1424 -19.5388 -19.5388 -19.5094 -19.5094 -19.3549 -19.3549 -19.3319 -19.3319 10.0085 10.0085 10.0097 10.0097 12.8503 12.8503 12.8510 12.8510 13.6279 13.6279 13.6302 13.6302 14.6153 14.6153 14.6222 14.6222 k = 0.1268 0.2196 0.3148 ( 2886 PWs) bands (ev): -43.4798 -43.4798 -43.4798 -43.4798 -20.1444 -20.1444 -20.1386 -20.1386 -19.5332 -19.5332 -19.5065 -19.5065 -19.3500 -19.3500 -19.3291 -19.3291 9.9471 9.9471 9.9482 9.9482 12.8685 12.8685 12.8691 12.8691 13.6506 13.6506 13.6528 13.6528 14.5853 14.5853 14.5916 14.5916 k = 0.1221 0.2114 0.3148 ( 2874 PWs) bands (ev): -43.4815 -43.4815 -43.4815 -43.4815 -20.1402 -20.1402 -20.1350 -20.1350 -19.5278 -19.5278 -19.5036 -19.5036 -19.3452 -19.3452 -19.3262 -19.3262 9.8863 9.8863 9.8872 9.8872 12.8877 12.8877 12.8882 12.8882 13.6733 13.6733 13.6755 13.6755 14.5538 14.5538 14.5596 14.5596 k = 0.1174 0.2033 0.3148 ( 2878 PWs) bands (ev): -43.4832 -43.4832 -43.4832 -43.4832 -20.1361 -20.1361 -20.1314 -20.1314 -19.5224 -19.5224 -19.5007 -19.5007 -19.3404 -19.3404 -19.3232 -19.3232 9.8261 9.8261 9.8269 9.8269 12.9079 12.9079 12.9083 12.9083 13.6959 13.6959 13.6980 13.6980 14.5211 14.5211 14.5265 14.5265 k = 0.1127 0.1952 0.3148 ( 2878 PWs) bands (ev): -43.4849 -43.4849 -43.4849 -43.4849 -20.1321 -20.1321 -20.1279 -20.1279 -19.5173 -19.5173 -19.4977 -19.4977 -19.3356 -19.3356 -19.3203 -19.3203 9.7668 9.7668 9.7674 9.7674 12.9290 12.9290 12.9293 12.9293 13.7183 13.7183 13.7203 13.7203 14.4878 14.4878 14.4927 14.4927 k = 0.1080 0.1870 0.3148 ( 2876 PWs) bands (ev): -43.4865 -43.4865 -43.4865 -43.4865 -20.1283 -20.1283 -20.1246 -20.1246 -19.5122 -19.5122 -19.4948 -19.4948 -19.3309 -19.3309 -19.3172 -19.3172 9.7085 9.7085 9.7091 9.7091 12.9508 12.9508 12.9511 12.9511 13.7403 13.7403 13.7423 13.7423 14.4539 14.4539 14.4585 14.4585 k = 0.1033 0.1789 0.3148 ( 2880 PWs) bands (ev): -43.4881 -43.4881 -43.4881 -43.4881 -20.1246 -20.1246 -20.1213 -20.1213 -19.5073 -19.5073 -19.4920 -19.4920 -19.3262 -19.3262 -19.3141 -19.3141 9.6514 9.6514 9.6519 9.6519 12.9734 12.9734 12.9736 12.9736 13.7619 13.7619 13.7637 13.7637 14.4200 14.4200 14.4242 14.4242 k = 0.0986 0.1708 0.3148 ( 2880 PWs) bands (ev): -43.4897 -43.4897 -43.4897 -43.4897 -20.1211 -20.1211 -20.1182 -20.1182 -19.5026 -19.5026 -19.4891 -19.4891 -19.3216 -19.3216 -19.3110 -19.3110 9.5956 9.5956 9.5961 9.5961 12.9965 12.9965 12.9966 12.9966 13.7828 13.7828 13.7846 13.7846 14.3862 14.3862 14.3901 14.3901 k = 0.0939 0.1626 0.3148 ( 2880 PWs) bands (ev): -43.4912 -43.4912 -43.4912 -43.4912 -20.1177 -20.1177 -20.1152 -20.1152 -19.4981 -19.4981 -19.4863 -19.4863 -19.3171 -19.3171 -19.3079 -19.3079 9.5414 9.5414 9.5418 9.5418 13.0200 13.0200 13.0202 13.0202 13.8031 13.8031 13.8048 13.8048 14.3529 14.3529 14.3564 14.3564 k = 0.0892 0.1545 0.3148 ( 2884 PWs) bands (ev): -43.4926 -43.4926 -43.4926 -43.4926 -20.1146 -20.1146 -20.1124 -20.1124 -19.4937 -19.4937 -19.4836 -19.4836 -19.3127 -19.3127 -19.3047 -19.3047 9.4889 9.4889 9.4892 9.4892 13.0439 13.0439 13.0440 13.0440 13.8224 13.8224 13.8242 13.8242 14.3202 14.3202 14.3235 14.3235 k = 0.0845 0.1464 0.3148 ( 2876 PWs) bands (ev): -43.4940 -43.4940 -43.4940 -43.4940 -20.1116 -20.1116 -20.1097 -20.1097 -19.4896 -19.4896 -19.4809 -19.4809 -19.3084 -19.3084 -19.3016 -19.3016 9.4382 9.4382 9.4385 9.4385 13.0680 13.0680 13.0681 13.0681 13.8409 13.8409 13.8426 13.8426 14.2883 14.2883 14.2914 14.2914 k = 0.0798 0.1382 0.3148 ( 2876 PWs) bands (ev): -43.4954 -43.4954 -43.4954 -43.4954 -20.1087 -20.1087 -20.1072 -20.1072 -19.4857 -19.4857 -19.4784 -19.4784 -19.3042 -19.3042 -19.2984 -19.2984 9.3895 9.3895 9.3897 9.3897 13.0922 13.0922 13.0923 13.0923 13.8583 13.8583 13.8600 13.8600 14.2575 14.2575 14.2603 14.2603 k = 0.0751 0.1301 0.3148 ( 2868 PWs) bands (ev): -43.4967 -43.4967 -43.4967 -43.4967 -20.1061 -20.1061 -20.1048 -20.1048 -19.4820 -19.4820 -19.4758 -19.4758 -19.3001 -19.3001 -19.2953 -19.2953 9.3428 9.3428 9.3430 9.3430 13.1163 13.1163 13.1164 13.1164 13.8745 13.8745 13.8762 13.8762 14.2279 14.2279 14.2305 14.2305 k = 0.0704 0.1220 0.3148 ( 2860 PWs) bands (ev): -43.4979 -43.4979 -43.4979 -43.4979 -20.1036 -20.1036 -20.1025 -20.1025 -19.4785 -19.4785 -19.4734 -19.4734 -19.2963 -19.2963 -19.2923 -19.2923 9.2984 9.2984 9.2985 9.2985 13.1402 13.1402 13.1403 13.1403 13.8896 13.8896 13.8913 13.8913 14.1996 14.1996 14.2020 14.2020 k = 0.0657 0.1138 0.3148 ( 2858 PWs) bands (ev): -43.4991 -43.4991 -43.4991 -43.4991 -20.1013 -20.1013 -20.1004 -20.1004 -19.4753 -19.4753 -19.4711 -19.4711 -19.2925 -19.2925 -19.2893 -19.2893 9.2562 9.2562 9.2564 9.2564 13.1638 13.1638 13.1638 13.1638 13.9035 13.9035 13.9050 13.9050 14.1727 14.1727 14.1749 14.1749 k = 0.0610 0.1057 0.3148 ( 2858 PWs) bands (ev): -43.5002 -43.5002 -43.5002 -43.5002 -20.0991 -20.0991 -20.0984 -20.0984 -19.4723 -19.4723 -19.4689 -19.4689 -19.2890 -19.2890 -19.2864 -19.2864 9.2166 9.2166 9.2167 9.2167 13.1868 13.1868 13.1869 13.1869 13.9160 13.9160 13.9175 13.9175 14.1473 14.1473 14.1494 14.1494 k = 0.0563 0.0976 0.3148 ( 2860 PWs) bands (ev): -43.5012 -43.5012 -43.5012 -43.5012 -20.0972 -20.0972 -20.0966 -20.0966 -19.4695 -19.4695 -19.4669 -19.4669 -19.2857 -19.2857 -19.2836 -19.2836 9.1794 9.1794 9.1795 9.1795 13.2092 13.2092 13.2092 13.2092 13.9272 13.9272 13.9287 13.9287 14.1236 14.1236 14.1255 14.1255 k = 0.0516 0.0894 0.3148 ( 2860 PWs) bands (ev): -43.5022 -43.5022 -43.5022 -43.5022 -20.0954 -20.0954 -20.0949 -20.0949 -19.4670 -19.4670 -19.4649 -19.4649 -19.2825 -19.2825 -19.2810 -19.2810 9.1449 9.1449 9.1449 9.1449 13.2307 13.2307 13.2307 13.2307 13.9371 13.9371 13.9386 13.9386 14.1017 14.1017 14.1034 14.1034 k = 0.0469 0.0813 0.3148 ( 2856 PWs) bands (ev): -43.5031 -43.5031 -43.5031 -43.5031 -20.0937 -20.0937 -20.0934 -20.0934 -19.4647 -19.4647 -19.4632 -19.4632 -19.2796 -19.2796 -19.2785 -19.2785 9.1131 9.1131 9.1131 9.1131 13.2512 13.2512 13.2512 13.2512 13.9457 13.9457 13.9471 13.9471 14.0815 14.0815 14.0831 14.0831 k = 0.0423 0.0732 0.3148 ( 2856 PWs) bands (ev): -43.5039 -43.5039 -43.5039 -43.5039 -20.0923 -20.0923 -20.0920 -20.0920 -19.4626 -19.4626 -19.4615 -19.4615 -19.2770 -19.2770 -19.2761 -19.2761 9.0841 9.0841 9.0841 9.0841 13.2705 13.2705 13.2706 13.2706 13.9530 13.9530 13.9543 13.9543 14.0632 14.0632 14.0647 14.0647 k = 0.0376 0.0651 0.3148 ( 2852 PWs) bands (ev): -43.5046 -43.5046 -43.5046 -43.5046 -20.0910 -20.0910 -20.0908 -20.0908 -19.4608 -19.4608 -19.4600 -19.4600 -19.2746 -19.2746 -19.2740 -19.2740 9.0579 9.0579 9.0580 9.0580 13.2885 13.2885 13.2885 13.2885 13.9591 13.9591 13.9603 13.9603 14.0469 14.0469 14.0482 14.0482 k = 0.0329 0.0569 0.3148 ( 2846 PWs) bands (ev): -43.5053 -43.5053 -43.5053 -43.5053 -20.0898 -20.0898 -20.0897 -20.0897 -19.4592 -19.4592 -19.4587 -19.4587 -19.2724 -19.2724 -19.2720 -19.2720 9.0347 9.0347 9.0347 9.0347 13.3048 13.3048 13.3049 13.3049 13.9639 13.9639 13.9650 13.9650 14.0327 14.0327 14.0338 14.0338 k = 0.0282 0.0488 0.3148 ( 2846 PWs) bands (ev): -43.5058 -43.5058 -43.5058 -43.5058 -20.0889 -20.0889 -20.0888 -20.0888 -19.4578 -19.4578 -19.4575 -19.4575 -19.2705 -19.2705 -19.2703 -19.2703 9.0145 9.0145 9.0145 9.0145 13.3195 13.3195 13.3195 13.3195 13.9675 13.9675 13.9684 13.9684 14.0206 14.0206 14.0215 14.0215 k = 0.0235 0.0407 0.3148 ( 2846 PWs) bands (ev): -43.5063 -43.5063 -43.5063 -43.5063 -20.0880 -20.0880 -20.0880 -20.0880 -19.4566 -19.4566 -19.4565 -19.4565 -19.2689 -19.2689 -19.2688 -19.2688 8.9973 8.9973 8.9973 8.9973 13.3322 13.3322 13.3322 13.3322 13.9699 13.9699 13.9706 13.9706 14.0109 14.0109 14.0116 14.0116 k = 0.0188 0.0325 0.3148 ( 2846 PWs) bands (ev): -43.5067 -43.5067 -43.5067 -43.5067 -20.0874 -20.0874 -20.0873 -20.0873 -19.4557 -19.4557 -19.4556 -19.4556 -19.2676 -19.2676 -19.2675 -19.2675 8.9831 8.9831 8.9831 8.9831 13.3429 13.3429 13.3429 13.3429 13.9710 13.9710 13.9714 13.9714 14.0036 14.0036 14.0041 14.0041 k = 0.0141 0.0244 0.3148 ( 2846 PWs) bands (ev): -43.5070 -43.5070 -43.5070 -43.5070 -20.0868 -20.0868 -20.0868 -20.0868 -19.4550 -19.4550 -19.4550 -19.4550 -19.2666 -19.2666 -19.2666 -19.2666 8.9721 8.9721 8.9721 8.9721 13.3513 13.3513 13.3513 13.3513 13.9709 13.9709 13.9712 13.9712 13.9988 13.9988 13.9990 13.9990 k = 0.0094 0.0163 0.3148 ( 2846 PWs) bands (ev): -43.5072 -43.5072 -43.5072 -43.5072 -20.0865 -20.0865 -20.0865 -20.0865 -19.4545 -19.4545 -19.4545 -19.4545 -19.2658 -19.2658 -19.2658 -19.2658 8.9642 8.9642 8.9642 8.9642 13.3574 13.3574 13.3574 13.3574 13.9701 13.9701 13.9702 13.9702 13.9960 13.9960 13.9961 13.9961 k = 0.0047 0.0081 0.3148 ( 2846 PWs) bands (ev): -43.5074 -43.5074 -43.5074 -43.5074 -20.0863 -20.0863 -20.0863 -20.0863 -19.4542 -19.4542 -19.4542 -19.4542 -19.2654 -19.2654 -19.2654 -19.2654 8.9595 8.9595 8.9595 8.9595 13.3612 13.3612 13.3612 13.3612 13.9693 13.9693 13.9693 13.9693 13.9947 13.9947 13.9947 13.9947 k = 0.0000 0.0000 0.3148 ( 2846 PWs) bands (ev): -43.5074 -43.5074 -43.5074 -43.5074 -20.0862 -20.0862 -20.0862 -20.0862 -19.4541 -19.4541 -19.4541 -19.4541 -19.2653 -19.2653 -19.2653 -19.2653 8.9579 8.9579 8.9579 8.9579 13.3624 13.3624 13.3624 13.3624 13.9689 13.9689 13.9689 13.9689 13.9943 13.9943 13.9943 13.9943 k = 0.5000 0.2887 0.3148 ( 2892 PWs) bands (ev): -43.4391 -43.4391 -43.4391 -43.4391 -20.2672 -20.2672 -20.2672 -20.2672 -19.6204 -19.6204 -19.6204 -19.6204 -19.3915 -19.3915 -19.3915 -19.3915 10.7879 10.7879 10.7879 10.7879 12.4907 12.4907 12.4907 12.4907 14.5651 14.5651 14.5651 14.5651 15.0044 15.0044 15.0044 15.0044 k = 0.5000 0.2887 0.3055 ( 2886 PWs) bands (ev): -43.4401 -43.4401 -43.4381 -43.4381 -20.2688 -20.2688 -20.2654 -20.2654 -19.6214 -19.6214 -19.6193 -19.6193 -19.3950 -19.3950 -19.3881 -19.3881 10.7669 10.7669 10.8102 10.8102 12.4688 12.4688 12.5107 12.5107 14.5156 14.5156 14.6139 14.6139 14.9403 14.9403 15.0695 15.0695 k = 0.5000 0.2887 0.2963 ( 2884 PWs) bands (ev): -43.4410 -43.4410 -43.4372 -43.4372 -20.2702 -20.2702 -20.2635 -20.2635 -19.6225 -19.6225 -19.6183 -19.6183 -19.3986 -19.3986 -19.3848 -19.3848 10.7472 10.7472 10.8337 10.8337 12.4454 12.4454 12.5282 12.5282 14.4665 14.4665 14.6609 14.6609 14.8772 14.8772 15.1355 15.1355 k = 0.5000 0.2887 0.2870 ( 2880 PWs) bands (ev): -43.4420 -43.4420 -43.4362 -43.4362 -20.2715 -20.2715 -20.2615 -20.2615 -19.6236 -19.6236 -19.6174 -19.6174 -19.4023 -19.4023 -19.3817 -19.3817 10.7291 10.7291 10.8580 10.8580 12.4212 12.4212 12.5425 12.5425 14.4189 14.4189 14.7048 14.7048 14.8156 14.8156 15.2023 15.2024 k = 0.5000 0.2887 0.2777 ( 2878 PWs) bands (ev): -43.4429 -43.4429 -43.4353 -43.4353 -20.2727 -20.2727 -20.2594 -20.2594 -19.6248 -19.6248 -19.6165 -19.6165 -19.4062 -19.4062 -19.3787 -19.3787 10.7125 10.7125 10.8832 10.8832 12.3967 12.3967 12.5531 12.5531 14.3738 14.3738 14.7414 14.7414 14.7583 14.7583 15.2698 15.2698 k = 0.5000 0.2887 0.2685 ( 2876 PWs) bands (ev): -43.4439 -43.4439 -43.4344 -43.4344 -20.2736 -20.2736 -20.2572 -20.2572 -19.6259 -19.6259 -19.6156 -19.6156 -19.4101 -19.4101 -19.3758 -19.3758 10.6975 10.6975 10.9090 10.9090 12.3724 12.3724 12.5594 12.5594 14.3319 14.3319 14.6946 14.6946 14.7806 14.7806 15.3379 15.3379 k = 0.5000 0.2887 0.2592 ( 2876 PWs) bands (ev): -43.4448 -43.4448 -43.4334 -43.4334 -20.2744 -20.2744 -20.2549 -20.2549 -19.6271 -19.6271 -19.6148 -19.6148 -19.4140 -19.4140 -19.3731 -19.3731 10.6843 10.6843 10.9352 10.9352 12.3486 12.3486 12.5607 12.5607 14.2942 14.2942 14.6370 14.6370 14.8087 14.8087 15.4063 15.4063 k = 0.5000 0.2887 0.2500 ( 2876 PWs) bands (ev): -43.4457 -43.4457 -43.4325 -43.4325 -20.2749 -20.2749 -20.2526 -20.2526 -19.6283 -19.6283 -19.6141 -19.6141 -19.4181 -19.4181 -19.3705 -19.3705 10.6729 10.6729 10.9615 10.9615 12.3260 12.3260 12.5567 12.5567 14.2613 14.2613 14.5807 14.5807 14.8297 14.8297 15.4751 15.4751 k = 0.5000 0.2887 0.2407 ( 2872 PWs) bands (ev): -43.4466 -43.4466 -43.4316 -43.4316 -20.2753 -20.2753 -20.2502 -20.2502 -19.6294 -19.6294 -19.6134 -19.6134 -19.4222 -19.4222 -19.3681 -19.3681 10.6634 10.6634 10.9877 10.9877 12.3048 12.3048 12.5471 12.5471 14.2336 14.2336 14.5259 14.5259 14.8427 14.8427 15.5440 15.5440 k = 0.5000 0.2887 0.2314 ( 2880 PWs) bands (ev): -43.4475 -43.4475 -43.4307 -43.4307 -20.2755 -20.2755 -20.2477 -20.2477 -19.6306 -19.6306 -19.6127 -19.6127 -19.4264 -19.4264 -19.3658 -19.3658 10.6558 10.6558 11.0135 11.0135 12.2857 12.2857 12.5316 12.5316 14.2115 14.2115 14.4727 14.4727 14.8473 14.8473 15.6128 15.6128 k = 0.5000 0.2887 0.2222 ( 2880 PWs) bands (ev): -43.4484 -43.4484 -43.4299 -43.4299 -20.2755 -20.2755 -20.2453 -20.2453 -19.6318 -19.6318 -19.6120 -19.6120 -19.4305 -19.4305 -19.3637 -19.3637 10.6501 10.6501 11.0386 11.0386 12.2689 12.2689 12.5101 12.5101 14.1951 14.1951 14.4213 14.4213 14.8433 14.8433 15.6815 15.6815 k = 0.5000 0.2887 0.2129 ( 2876 PWs) bands (ev): -43.4492 -43.4492 -43.4290 -43.4290 -20.2753 -20.2753 -20.2429 -20.2429 -19.6330 -19.6330 -19.6114 -19.6114 -19.4348 -19.4348 -19.3617 -19.3617 10.6465 10.6465 11.0627 11.0627 12.2549 12.2549 12.4830 12.4830 14.1841 14.1841 14.3716 14.3716 14.8309 14.8309 15.7499 15.7499 k = 0.5000 0.2887 0.2037 ( 2870 PWs) bands (ev): -43.4500 -43.4500 -43.4282 -43.4282 -20.2749 -20.2749 -20.2405 -20.2405 -19.6342 -19.6342 -19.6108 -19.6108 -19.4390 -19.4390 -19.3598 -19.3598 10.6448 10.6448 11.0855 11.0855 12.2441 12.2441 12.4505 12.4505 14.1784 14.1784 14.3239 14.3239 14.8106 14.8106 15.8177 15.8177 k = 0.5000 0.2887 0.1944 ( 2870 PWs) bands (ev): -43.4508 -43.4508 -43.4274 -43.4274 -20.2744 -20.2744 -20.2382 -20.2382 -19.6354 -19.6354 -19.6102 -19.6102 -19.4432 -19.4432 -19.3581 -19.3581 10.6452 10.6452 11.1067 11.1067 12.2368 12.2368 12.4130 12.4130 14.1771 14.1771 14.2785 14.2785 14.7831 14.7831 15.8848 15.8848 k = 0.5000 0.2887 0.1852 ( 2876 PWs) bands (ev): -43.4516 -43.4516 -43.4266 -43.4266 -20.2737 -20.2737 -20.2359 -20.2359 -19.6366 -19.6366 -19.6095 -19.6095 -19.4474 -19.4474 -19.3565 -19.3565 10.6476 10.6476 11.1260 11.1260 12.2334 12.2334 12.3711 12.3711 14.1787 14.1787 14.2364 14.2364 14.7491 14.7491 15.9509 15.9509 k = 0.5000 0.2887 0.1759 ( 2880 PWs) bands (ev): -43.4524 -43.4524 -43.4259 -43.4259 -20.2728 -20.2728 -20.2337 -20.2337 -19.6378 -19.6378 -19.6089 -19.6089 -19.4517 -19.4517 -19.3550 -19.3550 10.6521 10.6521 11.1431 11.1431 12.2340 12.2340 12.3253 12.3253 14.1738 14.1738 14.2066 14.2066 14.7095 14.7095 16.0158 16.0158 k = 0.5000 0.2887 0.1666 ( 2880 PWs) bands (ev): -43.4531 -43.4531 -43.4251 -43.4251 -20.2717 -20.2717 -20.2316 -20.2316 -19.6390 -19.6390 -19.6082 -19.6082 -19.4558 -19.4558 -19.3537 -19.3537 10.6586 10.6586 11.1579 11.1579 12.2388 12.2388 12.2765 12.2765 14.1437 14.1437 14.2072 14.2072 14.6652 14.6652 16.0793 16.0794 k = 0.5000 0.2887 0.1574 ( 2878 PWs) bands (ev): -43.4538 -43.4538 -43.4244 -43.4244 -20.2706 -20.2706 -20.2296 -20.2296 -19.6402 -19.6402 -19.6074 -19.6074 -19.4600 -19.4600 -19.3524 -19.3524 10.6671 10.6671 11.1703 11.1703 12.2245 12.2245 12.2485 12.2485 14.1072 14.1072 14.2188 14.2188 14.6171 14.6171 16.1412 16.1412 k = 0.5000 0.2887 0.1481 ( 2878 PWs) bands (ev): -43.4545 -43.4545 -43.4238 -43.4238 -20.2693 -20.2693 -20.2277 -20.2277 -19.6415 -19.6415 -19.6065 -19.6065 -19.4641 -19.4641 -19.3513 -19.3513 10.6777 10.6777 11.1803 11.1803 12.1711 12.1711 12.2617 12.2617 14.0714 14.0714 14.2337 14.2337 14.5659 14.5659 16.2010 16.2010 k = 0.5000 0.2887 0.1389 ( 2882 PWs) bands (ev): -43.4551 -43.4551 -43.4232 -43.4232 -20.2679 -20.2679 -20.2260 -20.2260 -19.6427 -19.6427 -19.6056 -19.6056 -19.4682 -19.4682 -19.3502 -19.3502 10.6902 10.6902 11.1879 11.1879 12.1162 12.1162 12.2791 12.2791 14.0373 14.0373 14.2505 14.2505 14.5124 14.5124 16.2585 16.2585 k = 0.5000 0.2887 0.1296 ( 2880 PWs) bands (ev): -43.4557 -43.4557 -43.4226 -43.4226 -20.2664 -20.2664 -20.2244 -20.2244 -19.6439 -19.6439 -19.6046 -19.6046 -19.4722 -19.4722 -19.3493 -19.3493 10.7047 10.7047 11.1934 11.1934 12.0602 12.0602 12.3003 12.3003 14.0051 14.0051 14.2683 14.2683 14.4572 14.4572 16.3132 16.3132 k = 0.5000 0.2887 0.1204 ( 2884 PWs) bands (ev): -43.4563 -43.4563 -43.4220 -43.4220 -20.2648 -20.2648 -20.2230 -20.2230 -19.6452 -19.6452 -19.6035 -19.6035 -19.4761 -19.4761 -19.3484 -19.3484 10.7210 10.7210 11.1969 11.1969 12.0039 12.0039 12.3248 12.3248 13.9749 13.9749 14.2868 14.2868 14.4011 14.4011 16.3648 16.3648 k = 0.5000 0.2887 0.1111 ( 2888 PWs) bands (ev): -43.4568 -43.4568 -43.4215 -43.4215 -20.2631 -20.2631 -20.2218 -20.2218 -19.6464 -19.6464 -19.6023 -19.6023 -19.4799 -19.4799 -19.3477 -19.3477 10.7391 10.7391 11.1988 11.1988 11.9475 11.9475 12.3523 12.3523 13.9469 13.9469 14.3054 14.3054 14.3447 14.3447 16.4126 16.4126 k = 0.5000 0.2887 0.1018 ( 2892 PWs) bands (ev): -43.4573 -43.4573 -43.4210 -43.4210 -20.2615 -20.2615 -20.2207 -20.2207 -19.6475 -19.6475 -19.6011 -19.6011 -19.4836 -19.4836 -19.3470 -19.3470 10.7588 10.7588 11.1992 11.1992 11.8915 11.8915 12.3820 12.3820 13.9209 13.9209 14.2884 14.2884 14.3239 14.3239 16.4559 16.4559 k = 0.5000 0.2887 0.0926 ( 2886 PWs) bands (ev): -43.4577 -43.4577 -43.4205 -43.4205 -20.2598 -20.2598 -20.2198 -20.2198 -19.6487 -19.6487 -19.5997 -19.5997 -19.4872 -19.4872 -19.3464 -19.3464 10.7801 10.7801 11.1985 11.1985 11.8364 11.8364 12.4135 12.4135 13.8972 13.8972 14.2332 14.2332 14.3416 14.3416 16.4938 16.4938 k = 0.5000 0.2887 0.0833 ( 2878 PWs) bands (ev): -43.4581 -43.4581 -43.4201 -43.4201 -20.2581 -20.2581 -20.2190 -20.2190 -19.6498 -19.6498 -19.5984 -19.5984 -19.4906 -19.4906 -19.3458 -19.3458 10.8026 10.8026 11.1970 11.1970 11.7826 11.7826 12.4460 12.4460 13.8756 13.8756 14.1794 14.1794 14.3586 14.3586 16.5254 16.5254 k = 0.5000 0.2887 0.0741 ( 2878 PWs) bands (ev): -43.4585 -43.4585 -43.4198 -43.4198 -20.2565 -20.2565 -20.2184 -20.2184 -19.6508 -19.6508 -19.5970 -19.5970 -19.4938 -19.4938 -19.3454 -19.3454 10.8261 10.8261 11.1949 11.1949 11.7306 11.7306 12.4788 12.4788 13.8563 13.8563 14.1278 14.1278 14.3743 14.3743 16.5499 16.5499 k = 0.5000 0.2887 0.0648 ( 2870 PWs) bands (ev): -43.4588 -43.4588 -43.4195 -43.4195 -20.2549 -20.2549 -20.2179 -20.2179 -19.6517 -19.6517 -19.5956 -19.5956 -19.4968 -19.4968 -19.3450 -19.3450 10.8503 10.8503 11.1926 11.1926 11.6810 11.6810 12.5110 12.5110 13.8391 13.8391 14.0792 14.0792 14.3888 14.3888 16.5676 16.5676 k = 0.5000 0.2887 0.0555 ( 2884 PWs) bands (ev): -43.4591 -43.4591 -43.4192 -43.4192 -20.2535 -20.2535 -20.2176 -20.2176 -19.6526 -19.6526 -19.5943 -19.5943 -19.4995 -19.4995 -19.3446 -19.3446 10.8746 10.8746 11.1901 11.1901 11.6343 11.6343 12.5419 12.5419 13.8243 13.8243 14.0343 14.0343 14.4017 14.4017 16.5796 16.5796 k = 0.5000 0.2887 0.0463 ( 2896 PWs) bands (ev): -43.4593 -43.4593 -43.4189 -43.4189 -20.2522 -20.2522 -20.2174 -20.2174 -19.6533 -19.6533 -19.5931 -19.5931 -19.5019 -19.5019 -19.3443 -19.3443 10.8984 10.8984 11.1877 11.1877 11.5914 11.5914 12.5704 12.5704 13.8116 13.8116 13.9941 13.9941 14.4128 14.4128 16.5874 16.5874 k = 0.5000 0.2887 0.0370 ( 2890 PWs) bands (ev): -43.4595 -43.4595 -43.4187 -43.4187 -20.2511 -20.2511 -20.2172 -20.2172 -19.6539 -19.6539 -19.5920 -19.5920 -19.5040 -19.5040 -19.3441 -19.3441 10.9207 10.9207 11.1855 11.1855 11.5533 11.5533 12.5957 12.5957 13.8013 13.8013 13.9594 13.9594 14.4221 14.4221 16.5925 16.5925 k = 0.5000 0.2887 0.0278 ( 2886 PWs) bands (ev): -43.4597 -43.4597 -43.4186 -43.4186 -20.2502 -20.2502 -20.2171 -20.2171 -19.6544 -19.6544 -19.5911 -19.5911 -19.5057 -19.5057 -19.3439 -19.3439 10.9405 10.9405 11.1837 11.1837 11.5212 11.5212 12.6166 12.6166 13.7932 13.7932 13.9311 13.9311 14.4295 14.4295 16.5957 16.5957 k = 0.5000 0.2887 0.0185 ( 2886 PWs) bands (ev): -43.4598 -43.4598 -43.4185 -43.4185 -20.2495 -20.2495 -20.2171 -20.2171 -19.6547 -19.6547 -19.5904 -19.5904 -19.5069 -19.5069 -19.3438 -19.3438 10.9562 10.9562 11.1823 11.1823 11.4966 11.4966 12.6324 12.6324 13.7874 13.7874 13.9102 13.9102 14.4348 14.4348 16.5977 16.5977 k = 0.5000 0.2887 0.0093 ( 2882 PWs) bands (ev): -43.4599 -43.4599 -43.4184 -43.4184 -20.2491 -20.2491 -20.2171 -20.2171 -19.6550 -19.6550 -19.5900 -19.5900 -19.5076 -19.5076 -19.3437 -19.3437 10.9664 10.9664 11.1815 11.1815 11.4811 11.4811 12.6422 12.6422 13.7839 13.7839 13.8973 13.8973 14.4380 14.4380 16.5987 16.5987 k = 0.5000 0.2887-0.0000 ( 2882 PWs) bands (ev): -43.4599 -43.4599 -43.4184 -43.4184 -20.2489 -20.2489 -20.2171 -20.2171 -19.6550 -19.6550 -19.5898 -19.5898 -19.5079 -19.5079 -19.3437 -19.3437 10.9700 10.9700 11.1812 11.1812 11.4757 11.4757 12.6455 12.6455 13.7827 13.7827 13.8930 13.8930 14.4391 14.4391 16.5990 16.5990 k = 0.3333 0.5774-0.0000 ( 2928 PWs) bands (ev): -43.4306 -43.4306 -43.4306 -43.4306 -20.2267 -20.2267 -20.2172 -20.2172 -19.6180 -19.6180 -19.5818 -19.5818 -19.5498 -19.5498 -19.4959 -19.4959 11.6480 11.6480 11.9085 11.9085 11.9250 11.9250 12.0118 12.0118 13.5049 13.5049 13.5191 13.5191 14.7680 14.7680 16.2919 16.2919 k = 0.3333 0.5774 0.0093 ( 2922 PWs) bands (ev): -43.4306 -43.4306 -43.4306 -43.4306 -20.2267 -20.2267 -20.2173 -20.2173 -19.6188 -19.6188 -19.5812 -19.5812 -19.5496 -19.5496 -19.4956 -19.4956 11.6487 11.6487 11.9090 11.9090 11.9255 11.9255 12.0120 12.0120 13.5041 13.5041 13.5182 13.5182 14.7678 14.7678 16.2923 16.2923 k = 0.3333 0.5774 0.0185 ( 2916 PWs) bands (ev): -43.4306 -43.4306 -43.4306 -43.4306 -20.2268 -20.2268 -20.2176 -20.2176 -19.6211 -19.6211 -19.5797 -19.5797 -19.5493 -19.5493 -19.4948 -19.4948 11.6507 11.6507 11.9106 11.9106 11.9270 11.9270 12.0127 12.0127 13.5015 13.5015 13.5156 13.5156 14.7670 14.7670 16.2934 16.2934 k = 0.3333 0.5774 0.0278 ( 2916 PWs) bands (ev): -43.4306 -43.4306 -43.4306 -43.4306 -20.2268 -20.2268 -20.2182 -20.2182 -19.6245 -19.6245 -19.5775 -19.5775 -19.5486 -19.5486 -19.4934 -19.4934 11.6540 11.6540 11.9132 11.9132 11.9296 11.9296 12.0140 12.0140 13.4973 13.4973 13.5113 13.5113 14.7657 14.7657 16.2951 16.2951 k = 0.3333 0.5774 0.0370 ( 2910 PWs) bands (ev): -43.4306 -43.4306 -43.4306 -43.4306 -20.2269 -20.2269 -20.2191 -20.2191 -19.6287 -19.6287 -19.5752 -19.5752 -19.5477 -19.5477 -19.4914 -19.4914 11.6586 11.6586 11.9169 11.9169 11.9331 11.9331 12.0156 12.0156 13.4915 13.4915 13.5053 13.5053 14.7640 14.7640 16.2976 16.2976 k = 0.3333 0.5774 0.0463 ( 2904 PWs) bands (ev): -43.4306 -43.4306 -43.4306 -43.4306 -20.2270 -20.2270 -20.2201 -20.2201 -19.6333 -19.6333 -19.5729 -19.5729 -19.5466 -19.5466 -19.4890 -19.4890 11.6644 11.6644 11.9215 11.9215 11.9377 11.9377 12.0178 12.0178 13.4840 13.4840 13.4976 13.4976 14.7619 14.7619 16.3007 16.3007 k = 0.3333 0.5774 0.0555 ( 2898 PWs) bands (ev): -43.4306 -43.4306 -43.4306 -43.4306 -20.2272 -20.2272 -20.2214 -20.2214 -19.6382 -19.6382 -19.5708 -19.5708 -19.5453 -19.5453 -19.4860 -19.4860 11.6715 11.6715 11.9272 11.9272 11.9432 11.9432 12.0203 12.0203 13.4750 13.4750 13.4884 13.4884 14.7593 14.7593 16.3042 16.3043 k = 0.3333 0.5774 0.0648 ( 2898 PWs) bands (ev): -43.4306 -43.4306 -43.4306 -43.4306 -20.2273 -20.2273 -20.2228 -20.2228 -19.6433 -19.6433 -19.5690 -19.5690 -19.5437 -19.5437 -19.4825 -19.4825 11.6798 11.6798 11.9338 11.9338 11.9496 11.9496 12.0233 12.0233 13.4645 13.4645 13.4777 13.4777 14.7564 14.7564 16.3082 16.3082 k = 0.3333 0.5774 0.0741 ( 2898 PWs) bands (ev): -43.4306 -43.4306 -43.4306 -43.4306 -20.2275 -20.2275 -20.2244 -20.2244 -19.6484 -19.6484 -19.5676 -19.5676 -19.5420 -19.5420 -19.4786 -19.4786 11.6893 11.6893 11.9414 11.9414 11.9570 11.9570 12.0267 12.0267 13.4527 13.4527 13.4655 13.4655 14.7533 14.7533 16.3095 16.3095 k = 0.3333 0.5774 0.0833 ( 2889 PWs) bands (ev): -43.4306 -43.4306 -43.4306 -43.4306 -20.2277 -20.2277 -20.2262 -20.2262 -19.6535 -19.6535 -19.5665 -19.5665 -19.5401 -19.5401 -19.4743 -19.4743 11.6999 11.6999 11.9499 11.9499 11.9653 11.9653 12.0304 12.0304 13.4395 13.4395 13.4520 13.4520 14.7499 14.7499 16.2683 16.2684 k = 0.3333 0.5774 0.0926 ( 2883 PWs) bands (ev): -43.4306 -43.4306 -43.4306 -43.4306 -20.2282 -20.2282 -20.2279 -20.2279 -19.6586 -19.6586 -19.5657 -19.5657 -19.5380 -19.5380 -19.4698 -19.4698 11.7115 11.7115 11.9593 11.9593 11.9744 11.9744 12.0344 12.0344 13.4251 13.4251 13.4373 13.4373 14.7465 14.7465 16.2172 16.2172 k = 0.3333 0.5774 0.1018 ( 2877 PWs) bands (ev): -43.4306 -43.4306 -43.4306 -43.4306 -20.2302 -20.2302 -20.2281 -20.2281 -19.6635 -19.6635 -19.5652 -19.5652 -19.5358 -19.5358 -19.4649 -19.4649 11.7241 11.7241 11.9695 11.9695 11.9844 11.9844 12.0387 12.0387 13.4096 13.4096 13.4215 13.4215 14.7430 14.7430 16.1632 16.1632 k = 0.3333 0.5774 0.1111 ( 2886 PWs) bands (ev): -43.4306 -43.4306 -43.4306 -43.4306 -20.2324 -20.2324 -20.2284 -20.2284 -19.6683 -19.6683 -19.5651 -19.5651 -19.5335 -19.5335 -19.4600 -19.4600 11.7377 11.7377 11.9805 11.9805 11.9951 11.9951 12.0433 12.0433 13.3931 13.3931 13.4046 13.4046 14.7396 14.7396 16.1068 16.1068 k = 0.3333 0.5774 0.1204 ( 2889 PWs) bands (ev): -43.4306 -43.4306 -43.4306 -43.4306 -20.2347 -20.2347 -20.2287 -20.2287 -19.6730 -19.6730 -19.5651 -19.5651 -19.5310 -19.5310 -19.4549 -19.4549 11.7521 11.7521 11.9922 11.9922 12.0065 12.0065 12.0480 12.0480 13.3757 13.3757 13.3869 13.3869 14.7363 14.7363 16.0486 16.0486 k = 0.3333 0.5774 0.1296 ( 2880 PWs) bands (ev): -43.4306 -43.4306 -43.4306 -43.4306 -20.2370 -20.2370 -20.2290 -20.2290 -19.6775 -19.6775 -19.5654 -19.5654 -19.5285 -19.5285 -19.4497 -19.4497 11.7672 11.7672 12.0046 12.0046 12.0186 12.0186 12.0528 12.0528 13.3576 13.3576 13.3684 13.3684 14.7334 14.7334 15.9891 15.9891 k = 0.3333 0.5774 0.1389 ( 2880 PWs) bands (ev): -43.4306 -43.4306 -43.4306 -43.4306 -20.2394 -20.2394 -20.2293 -20.2293 -19.6818 -19.6818 -19.5658 -19.5658 -19.5260 -19.5260 -19.4446 -19.4446 11.7831 11.7831 12.0176 12.0176 12.0313 12.0313 12.0577 12.0577 13.3388 13.3388 13.3492 13.3492 14.7309 14.7309 15.9285 15.9285 k = 0.3333 0.5774 0.1481 ( 2892 PWs) bands (ev): -43.4306 -43.4306 -43.4306 -43.4306 -20.2418 -20.2418 -20.2296 -20.2296 -19.6858 -19.6858 -19.5664 -19.5664 -19.5234 -19.5234 -19.4395 -19.4395 11.7994 11.7994 12.0312 12.0312 12.0445 12.0445 12.0627 12.0627 13.3194 13.3194 13.3296 13.3296 14.7289 14.7289 15.8674 15.8674 k = 0.3333 0.5774 0.1574 ( 2892 PWs) bands (ev): -43.4306 -43.4306 -43.4306 -43.4306 -20.2442 -20.2442 -20.2299 -20.2299 -19.6897 -19.6897 -19.5671 -19.5671 -19.5209 -19.5209 -19.4345 -19.4345 11.8163 11.8163 12.0452 12.0452 12.0580 12.0580 12.0676 12.0676 13.2997 13.2997 13.3095 13.3095 14.7276 14.7276 15.8060 15.8060 k = 0.3333 0.5774 0.1666 ( 2898 PWs) bands (ev): -43.4306 -43.4306 -43.4306 -43.4306 -20.2465 -20.2465 -20.2303 -20.2303 -19.6934 -19.6934 -19.5679 -19.5679 -19.5183 -19.5183 -19.4296 -19.4296 11.8336 11.8336 12.0595 12.0595 12.0713 12.0713 12.0730 12.0730 13.2797 13.2797 13.2893 13.2893 14.7272 14.7272 15.7446 15.7446 k = 0.3333 0.5774 0.1759 ( 2904 PWs) bands (ev): -43.4306 -43.4306 -43.4306 -43.4306 -20.2489 -20.2489 -20.2306 -20.2306 -19.6968 -19.6968 -19.5688 -19.5688 -19.5158 -19.5158 -19.4249 -19.4249 11.8511 11.8511 12.0741 12.0741 12.0767 12.0767 12.0864 12.0864 13.2596 13.2596 13.2689 13.2689 14.7277 14.7277 15.6836 15.6836 k = 0.3333 0.5774 0.1852 ( 2892 PWs) bands (ev): -43.4306 -43.4306 -43.4306 -43.4306 -20.2512 -20.2512 -20.2310 -20.2310 -19.6999 -19.6999 -19.5697 -19.5697 -19.5133 -19.5133 -19.4204 -19.4204 11.8687 11.8687 12.0809 12.0809 12.0889 12.0889 12.1008 12.1008 13.2396 13.2396 13.2486 13.2486 14.7293 14.7293 15.6231 15.6231 k = 0.3333 0.5774 0.1944 ( 2892 PWs) bands (ev): -43.4306 -43.4306 -43.4306 -43.4306 -20.2534 -20.2534 -20.2313 -20.2313 -19.7029 -19.7029 -19.5707 -19.5707 -19.5109 -19.5109 -19.4160 -19.4160 11.8864 11.8864 12.0848 12.0848 12.1037 12.1037 12.1152 12.1152 13.2197 13.2197 13.2286 13.2286 14.7322 14.7322 15.5635 15.5635 k = 0.3333 0.5774 0.2037 ( 2892 PWs) bands (ev): -43.4306 -43.4306 -43.4306 -43.4306 -20.2555 -20.2555 -20.2316 -20.2316 -19.7056 -19.7056 -19.5716 -19.5716 -19.5086 -19.5086 -19.4120 -19.4120 11.9039 11.9039 12.0883 12.0883 12.1184 12.1184 12.1295 12.1295 13.2003 13.2003 13.2089 13.2089 14.7365 14.7365 15.5049 15.5049 k = 0.3333 0.5774 0.2129 ( 2889 PWs) bands (ev): -43.4306 -43.4306 -43.4306 -43.4306 -20.2575 -20.2575 -20.2320 -20.2320 -19.7081 -19.7081 -19.5726 -19.5726 -19.5065 -19.5065 -19.4081 -19.4081 11.9213 11.9213 12.0913 12.0913 12.1329 12.1329 12.1436 12.1436 13.1813 13.1813 13.1898 13.1898 14.7424 14.7424 15.4476 15.4476 k = 0.3333 0.5774 0.2222 ( 2889 PWs) bands (ev): -43.4305 -43.4305 -43.4305 -43.4305 -20.2594 -20.2594 -20.2323 -20.2323 -19.7103 -19.7103 -19.5735 -19.5735 -19.5044 -19.5044 -19.4046 -19.4046 11.9383 11.9383 12.0936 12.0936 12.1470 12.1470 12.1574 12.1574 13.1630 13.1630 13.1714 13.1714 14.7500 14.7500 15.3918 15.3918 k = 0.3333 0.5774 0.2314 ( 2889 PWs) bands (ev): -43.4305 -43.4305 -43.4305 -43.4305 -20.2612 -20.2612 -20.2326 -20.2326 -19.7123 -19.7123 -19.5743 -19.5743 -19.5025 -19.5025 -19.4013 -19.4013 11.9549 11.9549 12.0953 12.0953 12.1606 12.1606 12.1706 12.1706 13.1457 13.1457 13.1539 13.1539 14.7594 14.7594 15.3377 15.3377 k = 0.3333 0.5774 0.2407 ( 2889 PWs) bands (ev): -43.4305 -43.4305 -43.4305 -43.4305 -20.2628 -20.2628 -20.2329 -20.2329 -19.7141 -19.7141 -19.5752 -19.5752 -19.5008 -19.5008 -19.3983 -19.3983 11.9708 11.9708 12.0962 12.0962 12.1734 12.1734 12.1831 12.1831 13.1294 13.1294 13.1375 13.1375 14.7708 14.7708 15.2854 15.2854 k = 0.3333 0.5774 0.2500 ( 2883 PWs) bands (ev): -43.4305 -43.4305 -43.4305 -43.4305 -20.2642 -20.2642 -20.2331 -20.2331 -19.7157 -19.7157 -19.5759 -19.5759 -19.4992 -19.4992 -19.3957 -19.3957 11.9862 11.9862 12.0963 12.0963 12.1853 12.1853 12.1947 12.1947 13.1143 13.1143 13.1224 13.1224 14.7843 14.7843 15.2350 15.2350 k = 0.3333 0.5774 0.2592 ( 2883 PWs) bands (ev): -43.4305 -43.4305 -43.4305 -43.4305 -20.2655 -20.2655 -20.2333 -20.2333 -19.7170 -19.7170 -19.5766 -19.5766 -19.4979 -19.4979 -19.3934 -19.3934 12.0007 12.0007 12.0955 12.0955 12.1962 12.1962 12.2052 12.2052 13.1008 13.1008 13.1088 13.1088 14.8001 14.8001 15.1869 15.1869 k = 0.3333 0.5774 0.2685 ( 2895 PWs) bands (ev): -43.4305 -43.4305 -43.4305 -43.4305 -20.2666 -20.2666 -20.2335 -20.2335 -19.7182 -19.7182 -19.5772 -19.5772 -19.4967 -19.4967 -19.3914 -19.3914 12.0143 12.0143 12.0937 12.0937 12.2058 12.2058 12.2145 12.2145 13.0889 13.0889 13.0969 13.0969 14.8181 14.8181 15.1409 15.1409 k = 0.3333 0.5774 0.2777 ( 2892 PWs) bands (ev): -43.4305 -43.4305 -43.4305 -43.4305 -20.2675 -20.2675 -20.2337 -20.2337 -19.7191 -19.7191 -19.5777 -19.5777 -19.4957 -19.4957 -19.3898 -19.3898 12.0270 12.0270 12.0910 12.0910 12.2139 12.2139 12.2224 12.2224 13.0789 13.0789 13.0869 13.0869 14.8385 14.8385 15.0974 15.0974 k = 0.3333 0.5774 0.2870 ( 2886 PWs) bands (ev): -43.4305 -43.4305 -43.4305 -43.4305 -20.2682 -20.2682 -20.2338 -20.2338 -19.7198 -19.7198 -19.5781 -19.5781 -19.4949 -19.4949 -19.3885 -19.3885 12.0386 12.0386 12.0873 12.0873 12.2204 12.2204 12.2288 12.2288 13.0709 13.0709 13.0789 13.0789 14.8614 14.8614 15.0565 15.0565 k = 0.3333 0.5774 0.2963 ( 2898 PWs) bands (ev): -43.4305 -43.4305 -43.4305 -43.4305 -20.2687 -20.2687 -20.2339 -20.2339 -19.7203 -19.7203 -19.5784 -19.5784 -19.4944 -19.4944 -19.3876 -19.3876 12.0490 12.0490 12.0826 12.0826 12.2252 12.2252 12.2334 12.2334 13.0651 13.0651 13.0731 13.0731 14.8865 14.8865 15.0183 15.0183 k = 0.3333 0.5774 0.3055 ( 2904 PWs) bands (ev): -43.4305 -43.4305 -43.4305 -43.4305 -20.2690 -20.2690 -20.2340 -20.2340 -19.7206 -19.7206 -19.5785 -19.5785 -19.4940 -19.4940 -19.3871 -19.3871 12.0577 12.0577 12.0773 12.0773 12.2281 12.2281 12.2362 12.2362 13.0616 13.0616 13.0695 13.0695 14.9134 14.9134 14.9835 14.9835 k = 0.3333 0.5774 0.3148 ( 2910 PWs) bands (ev): -43.4305 -43.4305 -43.4305 -43.4305 -20.2692 -20.2692 -20.2340 -20.2340 -19.7207 -19.7207 -19.5786 -19.5786 -19.4939 -19.4939 -19.3869 -19.3869 12.0622 12.0622 12.0739 12.0739 12.2290 12.2290 12.2372 12.2372 13.0604 13.0604 13.0683 13.0683 14.9333 14.9333 14.9610 14.9610 Writing output data file Ti.save init_run : 0.03s CPU 0.15s WALL ( 1 calls) electrons : 126.71s CPU 132.75s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 126.70s CPU 132.74s 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) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 449 calls) cegterg : 121.72s CPU 124.61s WALL ( 998 calls) Called by sum_band: Called by *egterg: h_psi : 58.37s CPU 60.38s WALL ( 16197 calls) g_psi : 0.29s CPU 0.25s WALL ( 14750 calls) cdiaghg : 54.98s CPU 55.87s WALL ( 15199 calls) cegterg:over : 4.42s CPU 4.62s WALL ( 14750 calls) cegterg:upda : 3.32s CPU 3.43s WALL ( 14750 calls) cegterg:last : 1.60s CPU 1.54s WALL ( 2797 calls) cdiaghg:chol : 2.66s CPU 2.70s WALL ( 15199 calls) cdiaghg:inve : 1.14s CPU 1.23s WALL ( 15199 calls) cdiaghg:para : 3.24s CPU 3.32s WALL ( 30398 calls) Called by h_psi: h_psi:vloc : 51.79s CPU 53.47s WALL ( 16197 calls) h_psi:vnl : 6.50s CPU 6.81s WALL ( 16197 calls) add_vuspsi : 3.42s CPU 3.61s WALL ( 16197 calls) General routines calbec : 3.04s CPU 3.16s WALL ( 16197 calls) fft : 0.00s CPU 0.00s WALL ( 13 calls) fftw : 48.77s CPU 50.25s WALL ( 1064400 calls) davcio : 0.07s CPU 0.08s WALL ( 898 calls) Parallel routines fft_scatter : 24.62s CPU 25.39s WALL ( 1064413 calls) PWSCF : 2m17.84s CPU 3m34.45s WALL This run was terminated on: 21:21: 8 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=