Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:17:45 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: ./VTe.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized file V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3P 3P 3D 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 68 20 5 4282 688 107 Max 69 21 6 4289 713 116 Sum 2479 745 211 154299 25083 4041 bravais-lattice index = 14 lattice parameter (alat) = 7.4493 a.u. unit-cell volume = 556.3363 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 646.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.449300 celldm(2)= 1.000000 celldm(3)= 1.554033 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 1.554033 ) 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 0.643487 ) PseudoPot. # 1 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for V read from file: /users/gautes/Pseudo/V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 97c593a54d8a0043da5648c660d67431 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1181 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Te 6.00 127.60000 Te( 1.00) V 13.00 50.94150 V( 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 ) ( -0.7770167 ) 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 ) ( 0.7770167 ) 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 ) ( -0.7770167 ) 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 ) ( -0.7770167 ) 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 ) ( 0.7770167 ) 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 ) ( 0.7770167 ) 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 ) ( 0.7770167 ) 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 ) ( -0.7770167 ) 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 ) ( 0.7770167 ) 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 ) ( 0.7770167 ) 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 ) ( -0.7770167 ) 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 ) ( -0.7770167 ) 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= 343 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029155 k( 2) = ( 0.0106383 0.0061420 -0.0000000), wk = 0.0029155 k( 3) = ( 0.0212766 0.0122841 -0.0000000), wk = 0.0029155 k( 4) = ( 0.0319149 0.0184261 -0.0000000), wk = 0.0029155 k( 5) = ( 0.0425532 0.0245681 -0.0000000), wk = 0.0029155 k( 6) = ( 0.0531915 0.0307101 -0.0000000), wk = 0.0029155 k( 7) = ( 0.0638298 0.0368521 -0.0000000), wk = 0.0029155 k( 8) = ( 0.0744681 0.0429942 -0.0000000), wk = 0.0029155 k( 9) = ( 0.0851064 0.0491362 -0.0000000), wk = 0.0029155 k( 10) = ( 0.0957447 0.0552782 -0.0000000), wk = 0.0029155 k( 11) = ( 0.1063830 0.0614202 -0.0000000), wk = 0.0029155 k( 12) = ( 0.1170213 0.0675623 -0.0000000), wk = 0.0029155 k( 13) = ( 0.1276596 0.0737043 -0.0000000), wk = 0.0029155 k( 14) = ( 0.1382979 0.0798463 -0.0000000), wk = 0.0029155 k( 15) = ( 0.1489362 0.0859883 -0.0000000), wk = 0.0029155 k( 16) = ( 0.1595745 0.0921304 -0.0000000), wk = 0.0029155 k( 17) = ( 0.1702128 0.0982724 -0.0000000), wk = 0.0029155 k( 18) = ( 0.1808511 0.1044144 -0.0000000), wk = 0.0029155 k( 19) = ( 0.1914894 0.1105564 -0.0000000), wk = 0.0029155 k( 20) = ( 0.2021277 0.1166985 -0.0000000), wk = 0.0029155 k( 21) = ( 0.2127660 0.1228405 -0.0000000), wk = 0.0029155 k( 22) = ( 0.2234043 0.1289825 -0.0000000), wk = 0.0029155 k( 23) = ( 0.2340425 0.1351245 -0.0000000), wk = 0.0029155 k( 24) = ( 0.2446809 0.1412666 -0.0000000), wk = 0.0029155 k( 25) = ( 0.2553191 0.1474086 -0.0000000), wk = 0.0029155 k( 26) = ( 0.2659574 0.1535506 -0.0000000), wk = 0.0029155 k( 27) = ( 0.2765957 0.1596926 -0.0000000), wk = 0.0029155 k( 28) = ( 0.2872340 0.1658347 -0.0000000), wk = 0.0029155 k( 29) = ( 0.2978723 0.1719767 -0.0000000), wk = 0.0029155 k( 30) = ( 0.3085106 0.1781187 -0.0000000), wk = 0.0029155 k( 31) = ( 0.3191489 0.1842607 -0.0000000), wk = 0.0029155 k( 32) = ( 0.3297872 0.1904027 -0.0000000), wk = 0.0029155 k( 33) = ( 0.3404255 0.1965448 -0.0000000), wk = 0.0029155 k( 34) = ( 0.3510638 0.2026868 -0.0000000), wk = 0.0029155 k( 35) = ( 0.3617021 0.2088288 -0.0000000), wk = 0.0029155 k( 36) = ( 0.3723404 0.2149708 -0.0000000), wk = 0.0029155 k( 37) = ( 0.3829787 0.2211129 -0.0000000), wk = 0.0029155 k( 38) = ( 0.3936170 0.2272549 -0.0000000), wk = 0.0029155 k( 39) = ( 0.4042553 0.2333969 -0.0000000), wk = 0.0029155 k( 40) = ( 0.4148936 0.2395389 -0.0000000), wk = 0.0029155 k( 41) = ( 0.4255319 0.2456810 -0.0000000), wk = 0.0029155 k( 42) = ( 0.4361702 0.2518230 -0.0000000), wk = 0.0029155 k( 43) = ( 0.4468085 0.2579650 -0.0000000), wk = 0.0029155 k( 44) = ( 0.4574468 0.2641070 -0.0000000), wk = 0.0029155 k( 45) = ( 0.4680851 0.2702491 -0.0000000), wk = 0.0029155 k( 46) = ( 0.4787234 0.2763911 -0.0000000), wk = 0.0029155 k( 47) = ( 0.4893617 0.2825331 -0.0000000), wk = 0.0029155 k( 48) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029155 k( 49) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029155 k( 50) = ( 0.4938272 0.2993668 -0.0000000), wk = 0.0029155 k( 51) = ( 0.4876543 0.3100585 -0.0000000), wk = 0.0029155 k( 52) = ( 0.4814815 0.3207502 -0.0000000), wk = 0.0029155 k( 53) = ( 0.4753086 0.3314418 -0.0000000), wk = 0.0029155 k( 54) = ( 0.4691358 0.3421335 -0.0000000), wk = 0.0029155 k( 55) = ( 0.4629630 0.3528252 -0.0000000), wk = 0.0029155 k( 56) = ( 0.4567901 0.3635168 -0.0000000), wk = 0.0029155 k( 57) = ( 0.4506173 0.3742085 -0.0000000), wk = 0.0029155 k( 58) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0029155 k( 59) = ( 0.4382716 0.3955918 -0.0000000), wk = 0.0029155 k( 60) = ( 0.4320988 0.4062835 -0.0000000), wk = 0.0029155 k( 61) = ( 0.4259259 0.4169752 -0.0000000), wk = 0.0029155 k( 62) = ( 0.4197531 0.4276669 -0.0000000), wk = 0.0029155 k( 63) = ( 0.4135802 0.4383585 -0.0000000), wk = 0.0029155 k( 64) = ( 0.4074074 0.4490502 -0.0000000), wk = 0.0029155 k( 65) = ( 0.4012346 0.4597419 -0.0000000), wk = 0.0029155 k( 66) = ( 0.3950617 0.4704335 -0.0000000), wk = 0.0029155 k( 67) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0029155 k( 68) = ( 0.3827160 0.4918169 -0.0000000), wk = 0.0029155 k( 69) = ( 0.3765432 0.5025086 -0.0000000), wk = 0.0029155 k( 70) = ( 0.3703704 0.5132002 -0.0000000), wk = 0.0029155 k( 71) = ( 0.3641975 0.5238919 -0.0000000), wk = 0.0029155 k( 72) = ( 0.3580247 0.5345836 -0.0000000), wk = 0.0029155 k( 73) = ( 0.3518519 0.5452753 -0.0000000), wk = 0.0029155 k( 74) = ( 0.3456790 0.5559669 -0.0000000), wk = 0.0029155 k( 75) = ( 0.3395062 0.5666586 -0.0000000), wk = 0.0029155 k( 76) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029155 k( 77) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029155 k( 78) = ( 0.3271605 0.5666586 -0.0000000), wk = 0.0029155 k( 79) = ( 0.3209877 0.5559669 -0.0000000), wk = 0.0029155 k( 80) = ( 0.3148148 0.5452752 -0.0000000), wk = 0.0029155 k( 81) = ( 0.3086420 0.5345836 -0.0000000), wk = 0.0029155 k( 82) = ( 0.3024691 0.5238919 -0.0000000), wk = 0.0029155 k( 83) = ( 0.2962963 0.5132002 -0.0000000), wk = 0.0029155 k( 84) = ( 0.2901235 0.5025086 -0.0000000), wk = 0.0029155 k( 85) = ( 0.2839506 0.4918169 -0.0000000), wk = 0.0029155 k( 86) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0029155 k( 87) = ( 0.2716049 0.4704336 -0.0000000), wk = 0.0029155 k( 88) = ( 0.2654321 0.4597419 -0.0000000), wk = 0.0029155 k( 89) = ( 0.2592593 0.4490502 -0.0000000), wk = 0.0029155 k( 90) = ( 0.2530864 0.4383585 -0.0000000), wk = 0.0029155 k( 91) = ( 0.2469136 0.4276669 -0.0000000), wk = 0.0029155 k( 92) = ( 0.2407407 0.4169752 -0.0000000), wk = 0.0029155 k( 93) = ( 0.2345679 0.4062835 -0.0000000), wk = 0.0029155 k( 94) = ( 0.2283951 0.3955918 -0.0000000), wk = 0.0029155 k( 95) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0029155 k( 96) = ( 0.2160494 0.3742085 -0.0000000), wk = 0.0029155 k( 97) = ( 0.2098765 0.3635168 -0.0000000), wk = 0.0029155 k( 98) = ( 0.2037037 0.3528252 -0.0000000), wk = 0.0029155 k( 99) = ( 0.1975309 0.3421335 -0.0000000), wk = 0.0029155 k( 100) = ( 0.1913580 0.3314418 -0.0000000), wk = 0.0029155 k( 101) = ( 0.1851852 0.3207502 -0.0000000), wk = 0.0029155 k( 102) = ( 0.1790123 0.3100585 -0.0000000), wk = 0.0029155 k( 103) = ( 0.1728395 0.2993668 -0.0000000), wk = 0.0029155 k( 104) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0029155 k( 105) = ( 0.1604938 0.2779835 -0.0000000), wk = 0.0029155 k( 106) = ( 0.1543210 0.2672918 -0.0000000), wk = 0.0029155 k( 107) = ( 0.1481482 0.2566001 -0.0000000), wk = 0.0029155 k( 108) = ( 0.1419753 0.2459085 -0.0000000), wk = 0.0029155 k( 109) = ( 0.1358025 0.2352168 -0.0000000), wk = 0.0029155 k( 110) = ( 0.1296296 0.2245251 -0.0000000), wk = 0.0029155 k( 111) = ( 0.1234568 0.2138334 -0.0000000), wk = 0.0029155 k( 112) = ( 0.1172839 0.2031418 -0.0000000), wk = 0.0029155 k( 113) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0029155 k( 114) = ( 0.1049383 0.1817584 -0.0000000), wk = 0.0029155 k( 115) = ( 0.0987654 0.1710667 -0.0000000), wk = 0.0029155 k( 116) = ( 0.0925926 0.1603751 -0.0000000), wk = 0.0029155 k( 117) = ( 0.0864198 0.1496834 -0.0000000), wk = 0.0029155 k( 118) = ( 0.0802469 0.1389917 -0.0000000), wk = 0.0029155 k( 119) = ( 0.0740741 0.1283001 -0.0000000), wk = 0.0029155 k( 120) = ( 0.0679012 0.1176084 -0.0000000), wk = 0.0029155 k( 121) = ( 0.0617284 0.1069167 -0.0000000), wk = 0.0029155 k( 122) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0029155 k( 123) = ( 0.0493827 0.0855334 -0.0000000), wk = 0.0029155 k( 124) = ( 0.0432099 0.0748417 -0.0000000), wk = 0.0029155 k( 125) = ( 0.0370370 0.0641500 -0.0000000), wk = 0.0029155 k( 126) = ( 0.0308642 0.0534584 -0.0000000), wk = 0.0029155 k( 127) = ( 0.0246914 0.0427667 -0.0000000), wk = 0.0029155 k( 128) = ( 0.0185185 0.0320750 -0.0000000), wk = 0.0029155 k( 129) = ( 0.0123457 0.0213833 -0.0000000), wk = 0.0029155 k( 130) = ( 0.0061728 0.0106917 -0.0000000), wk = 0.0029155 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029155 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029155 k( 133) = ( 0.0000000 0.0000000 0.0123747), wk = 0.0029155 k( 134) = ( 0.0000000 0.0000000 0.0247495), wk = 0.0029155 k( 135) = ( 0.0000000 0.0000000 0.0371242), wk = 0.0029155 k( 136) = ( 0.0000000 0.0000000 0.0494990), wk = 0.0029155 k( 137) = ( 0.0000000 0.0000000 0.0618737), wk = 0.0029155 k( 138) = ( 0.0000000 0.0000000 0.0742485), wk = 0.0029155 k( 139) = ( 0.0000000 0.0000000 0.0866232), wk = 0.0029155 k( 140) = ( 0.0000000 0.0000000 0.0989980), wk = 0.0029155 k( 141) = ( 0.0000000 0.0000000 0.1113727), wk = 0.0029155 k( 142) = ( 0.0000000 0.0000000 0.1237475), wk = 0.0029155 k( 143) = ( 0.0000000 0.0000000 0.1361222), wk = 0.0029155 k( 144) = ( 0.0000000 0.0000000 0.1484969), wk = 0.0029155 k( 145) = ( 0.0000000 0.0000000 0.1608717), wk = 0.0029155 k( 146) = ( 0.0000000 0.0000000 0.1732464), wk = 0.0029155 k( 147) = ( 0.0000000 0.0000000 0.1856212), wk = 0.0029155 k( 148) = ( 0.0000000 0.0000000 0.1979959), wk = 0.0029155 k( 149) = ( 0.0000000 0.0000000 0.2103707), wk = 0.0029155 k( 150) = ( 0.0000000 0.0000000 0.2227454), wk = 0.0029155 k( 151) = ( 0.0000000 0.0000000 0.2351202), wk = 0.0029155 k( 152) = ( 0.0000000 0.0000000 0.2474949), wk = 0.0029155 k( 153) = ( 0.0000000 0.0000000 0.2598697), wk = 0.0029155 k( 154) = ( 0.0000000 0.0000000 0.2722444), wk = 0.0029155 k( 155) = ( 0.0000000 0.0000000 0.2846192), wk = 0.0029155 k( 156) = ( 0.0000000 0.0000000 0.2969939), wk = 0.0029155 k( 157) = ( 0.0000000 0.0000000 0.3093686), wk = 0.0029155 k( 158) = ( 0.0000000 0.0000000 0.3217434), wk = 0.0029155 k( 159) = ( 0.0000000 0.0000000 0.3217434), wk = 0.0029155 k( 160) = ( 0.0106383 0.0061420 0.3217434), wk = 0.0029155 k( 161) = ( 0.0212766 0.0122841 0.3217434), wk = 0.0029155 k( 162) = ( 0.0319149 0.0184261 0.3217434), wk = 0.0029155 k( 163) = ( 0.0425532 0.0245681 0.3217434), wk = 0.0029155 k( 164) = ( 0.0531915 0.0307101 0.3217434), wk = 0.0029155 k( 165) = ( 0.0638298 0.0368521 0.3217434), wk = 0.0029155 k( 166) = ( 0.0744681 0.0429942 0.3217434), wk = 0.0029155 k( 167) = ( 0.0851064 0.0491362 0.3217434), wk = 0.0029155 k( 168) = ( 0.0957447 0.0552782 0.3217434), wk = 0.0029155 k( 169) = ( 0.1063830 0.0614202 0.3217434), wk = 0.0029155 k( 170) = ( 0.1170213 0.0675623 0.3217434), wk = 0.0029155 k( 171) = ( 0.1276596 0.0737043 0.3217434), wk = 0.0029155 k( 172) = ( 0.1382979 0.0798463 0.3217434), wk = 0.0029155 k( 173) = ( 0.1489362 0.0859883 0.3217434), wk = 0.0029155 k( 174) = ( 0.1595745 0.0921304 0.3217434), wk = 0.0029155 k( 175) = ( 0.1702128 0.0982724 0.3217434), wk = 0.0029155 k( 176) = ( 0.1808511 0.1044144 0.3217434), wk = 0.0029155 k( 177) = ( 0.1914894 0.1105564 0.3217434), wk = 0.0029155 k( 178) = ( 0.2021277 0.1166985 0.3217434), wk = 0.0029155 k( 179) = ( 0.2127660 0.1228405 0.3217434), wk = 0.0029155 k( 180) = ( 0.2234043 0.1289825 0.3217434), wk = 0.0029155 k( 181) = ( 0.2340425 0.1351245 0.3217434), wk = 0.0029155 k( 182) = ( 0.2446809 0.1412666 0.3217434), wk = 0.0029155 k( 183) = ( 0.2553191 0.1474086 0.3217434), wk = 0.0029155 k( 184) = ( 0.2659574 0.1535506 0.3217434), wk = 0.0029155 k( 185) = ( 0.2765957 0.1596926 0.3217434), wk = 0.0029155 k( 186) = ( 0.2872340 0.1658347 0.3217434), wk = 0.0029155 k( 187) = ( 0.2978723 0.1719767 0.3217434), wk = 0.0029155 k( 188) = ( 0.3085106 0.1781187 0.3217434), wk = 0.0029155 k( 189) = ( 0.3191489 0.1842607 0.3217434), wk = 0.0029155 k( 190) = ( 0.3297872 0.1904027 0.3217434), wk = 0.0029155 k( 191) = ( 0.3404255 0.1965448 0.3217434), wk = 0.0029155 k( 192) = ( 0.3510638 0.2026868 0.3217434), wk = 0.0029155 k( 193) = ( 0.3617021 0.2088288 0.3217434), wk = 0.0029155 k( 194) = ( 0.3723404 0.2149708 0.3217434), wk = 0.0029155 k( 195) = ( 0.3829787 0.2211129 0.3217434), wk = 0.0029155 k( 196) = ( 0.3936170 0.2272549 0.3217434), wk = 0.0029155 k( 197) = ( 0.4042553 0.2333969 0.3217434), wk = 0.0029155 k( 198) = ( 0.4148936 0.2395389 0.3217434), wk = 0.0029155 k( 199) = ( 0.4255319 0.2456810 0.3217434), wk = 0.0029155 k( 200) = ( 0.4361702 0.2518230 0.3217434), wk = 0.0029155 k( 201) = ( 0.4468085 0.2579650 0.3217434), wk = 0.0029155 k( 202) = ( 0.4574468 0.2641070 0.3217434), wk = 0.0029155 k( 203) = ( 0.4680851 0.2702491 0.3217434), wk = 0.0029155 k( 204) = ( 0.4787234 0.2763911 0.3217434), wk = 0.0029155 k( 205) = ( 0.4893617 0.2825331 0.3217434), wk = 0.0029155 k( 206) = ( 0.5000000 0.2886751 0.3217434), wk = 0.0029155 k( 207) = ( 0.5000000 0.2886751 0.3217434), wk = 0.0029155 k( 208) = ( 0.4938272 0.2993668 0.3217434), wk = 0.0029155 k( 209) = ( 0.4876543 0.3100585 0.3217434), wk = 0.0029155 k( 210) = ( 0.4814815 0.3207502 0.3217434), wk = 0.0029155 k( 211) = ( 0.4753086 0.3314418 0.3217434), wk = 0.0029155 k( 212) = ( 0.4691358 0.3421335 0.3217434), wk = 0.0029155 k( 213) = ( 0.4629630 0.3528252 0.3217434), wk = 0.0029155 k( 214) = ( 0.4567901 0.3635168 0.3217434), wk = 0.0029155 k( 215) = ( 0.4506173 0.3742085 0.3217434), wk = 0.0029155 k( 216) = ( 0.4444444 0.3849002 0.3217434), wk = 0.0029155 k( 217) = ( 0.4382716 0.3955918 0.3217434), wk = 0.0029155 k( 218) = ( 0.4320988 0.4062835 0.3217434), wk = 0.0029155 k( 219) = ( 0.4259259 0.4169752 0.3217434), wk = 0.0029155 k( 220) = ( 0.4197531 0.4276669 0.3217434), wk = 0.0029155 k( 221) = ( 0.4135802 0.4383585 0.3217434), wk = 0.0029155 k( 222) = ( 0.4074074 0.4490502 0.3217434), wk = 0.0029155 k( 223) = ( 0.4012346 0.4597419 0.3217434), wk = 0.0029155 k( 224) = ( 0.3950617 0.4704335 0.3217434), wk = 0.0029155 k( 225) = ( 0.3888889 0.4811252 0.3217434), wk = 0.0029155 k( 226) = ( 0.3827160 0.4918169 0.3217434), wk = 0.0029155 k( 227) = ( 0.3765432 0.5025086 0.3217434), wk = 0.0029155 k( 228) = ( 0.3703704 0.5132002 0.3217434), wk = 0.0029155 k( 229) = ( 0.3641975 0.5238919 0.3217434), wk = 0.0029155 k( 230) = ( 0.3580247 0.5345836 0.3217434), wk = 0.0029155 k( 231) = ( 0.3518519 0.5452753 0.3217434), wk = 0.0029155 k( 232) = ( 0.3456790 0.5559669 0.3217434), wk = 0.0029155 k( 233) = ( 0.3395062 0.5666586 0.3217434), wk = 0.0029155 k( 234) = ( 0.3333333 0.5773503 0.3217434), wk = 0.0029155 k( 235) = ( 0.3333333 0.5773503 0.3217434), wk = 0.0029155 k( 236) = ( 0.3271605 0.5666586 0.3217434), wk = 0.0029155 k( 237) = ( 0.3209877 0.5559669 0.3217434), wk = 0.0029155 k( 238) = ( 0.3148148 0.5452752 0.3217434), wk = 0.0029155 k( 239) = ( 0.3086420 0.5345836 0.3217434), wk = 0.0029155 k( 240) = ( 0.3024691 0.5238919 0.3217434), wk = 0.0029155 k( 241) = ( 0.2962963 0.5132002 0.3217434), wk = 0.0029155 k( 242) = ( 0.2901235 0.5025086 0.3217434), wk = 0.0029155 k( 243) = ( 0.2839506 0.4918169 0.3217434), wk = 0.0029155 k( 244) = ( 0.2777778 0.4811252 0.3217434), wk = 0.0029155 k( 245) = ( 0.2716049 0.4704336 0.3217434), wk = 0.0029155 k( 246) = ( 0.2654321 0.4597419 0.3217434), wk = 0.0029155 k( 247) = ( 0.2592593 0.4490502 0.3217434), wk = 0.0029155 k( 248) = ( 0.2530864 0.4383585 0.3217434), wk = 0.0029155 k( 249) = ( 0.2469136 0.4276669 0.3217434), wk = 0.0029155 k( 250) = ( 0.2407407 0.4169752 0.3217434), wk = 0.0029155 k( 251) = ( 0.2345679 0.4062835 0.3217434), wk = 0.0029155 k( 252) = ( 0.2283951 0.3955918 0.3217434), wk = 0.0029155 k( 253) = ( 0.2222222 0.3849002 0.3217434), wk = 0.0029155 k( 254) = ( 0.2160494 0.3742085 0.3217434), wk = 0.0029155 k( 255) = ( 0.2098765 0.3635168 0.3217434), wk = 0.0029155 k( 256) = ( 0.2037037 0.3528252 0.3217434), wk = 0.0029155 k( 257) = ( 0.1975309 0.3421335 0.3217434), wk = 0.0029155 k( 258) = ( 0.1913580 0.3314418 0.3217434), wk = 0.0029155 k( 259) = ( 0.1851852 0.3207502 0.3217434), wk = 0.0029155 k( 260) = ( 0.1790123 0.3100585 0.3217434), wk = 0.0029155 k( 261) = ( 0.1728395 0.2993668 0.3217434), wk = 0.0029155 k( 262) = ( 0.1666667 0.2886751 0.3217434), wk = 0.0029155 k( 263) = ( 0.1604938 0.2779835 0.3217434), wk = 0.0029155 k( 264) = ( 0.1543210 0.2672918 0.3217434), wk = 0.0029155 k( 265) = ( 0.1481482 0.2566001 0.3217434), wk = 0.0029155 k( 266) = ( 0.1419753 0.2459085 0.3217434), wk = 0.0029155 k( 267) = ( 0.1358025 0.2352168 0.3217434), wk = 0.0029155 k( 268) = ( 0.1296296 0.2245251 0.3217434), wk = 0.0029155 k( 269) = ( 0.1234568 0.2138334 0.3217434), wk = 0.0029155 k( 270) = ( 0.1172839 0.2031418 0.3217434), wk = 0.0029155 k( 271) = ( 0.1111111 0.1924501 0.3217434), wk = 0.0029155 k( 272) = ( 0.1049383 0.1817584 0.3217434), wk = 0.0029155 k( 273) = ( 0.0987654 0.1710667 0.3217434), wk = 0.0029155 k( 274) = ( 0.0925926 0.1603751 0.3217434), wk = 0.0029155 k( 275) = ( 0.0864198 0.1496834 0.3217434), wk = 0.0029155 k( 276) = ( 0.0802469 0.1389917 0.3217434), wk = 0.0029155 k( 277) = ( 0.0740741 0.1283001 0.3217434), wk = 0.0029155 k( 278) = ( 0.0679012 0.1176084 0.3217434), wk = 0.0029155 k( 279) = ( 0.0617284 0.1069167 0.3217434), wk = 0.0029155 k( 280) = ( 0.0555556 0.0962251 0.3217434), wk = 0.0029155 k( 281) = ( 0.0493827 0.0855334 0.3217434), wk = 0.0029155 k( 282) = ( 0.0432099 0.0748417 0.3217434), wk = 0.0029155 k( 283) = ( 0.0370370 0.0641500 0.3217434), wk = 0.0029155 k( 284) = ( 0.0308642 0.0534584 0.3217434), wk = 0.0029155 k( 285) = ( 0.0246914 0.0427667 0.3217434), wk = 0.0029155 k( 286) = ( 0.0185185 0.0320750 0.3217434), wk = 0.0029155 k( 287) = ( 0.0123457 0.0213833 0.3217434), wk = 0.0029155 k( 288) = ( 0.0061728 0.0106917 0.3217434), wk = 0.0029155 k( 289) = ( 0.0000000 0.0000000 0.3217434), wk = 0.0029155 k( 290) = ( 0.5000000 0.2886751 0.3217434), wk = 0.0029155 k( 291) = ( 0.5000000 0.2886751 0.3093686), wk = 0.0029155 k( 292) = ( 0.5000000 0.2886751 0.2969939), wk = 0.0029155 k( 293) = ( 0.5000000 0.2886751 0.2846192), wk = 0.0029155 k( 294) = ( 0.5000000 0.2886751 0.2722444), wk = 0.0029155 k( 295) = ( 0.5000000 0.2886751 0.2598697), wk = 0.0029155 k( 296) = ( 0.5000000 0.2886751 0.2474949), wk = 0.0029155 k( 297) = ( 0.5000000 0.2886751 0.2351202), wk = 0.0029155 k( 298) = ( 0.5000000 0.2886751 0.2227454), wk = 0.0029155 k( 299) = ( 0.5000000 0.2886751 0.2103707), wk = 0.0029155 k( 300) = ( 0.5000000 0.2886751 0.1979959), wk = 0.0029155 k( 301) = ( 0.5000000 0.2886751 0.1856212), wk = 0.0029155 k( 302) = ( 0.5000000 0.2886751 0.1732464), wk = 0.0029155 k( 303) = ( 0.5000000 0.2886751 0.1608717), wk = 0.0029155 k( 304) = ( 0.5000000 0.2886751 0.1484969), wk = 0.0029155 k( 305) = ( 0.5000000 0.2886751 0.1361222), wk = 0.0029155 k( 306) = ( 0.5000000 0.2886751 0.1237475), wk = 0.0029155 k( 307) = ( 0.5000000 0.2886751 0.1113727), wk = 0.0029155 k( 308) = ( 0.5000000 0.2886751 0.0989980), wk = 0.0029155 k( 309) = ( 0.5000000 0.2886751 0.0866232), wk = 0.0029155 k( 310) = ( 0.5000000 0.2886751 0.0742485), wk = 0.0029155 k( 311) = ( 0.5000000 0.2886751 0.0618737), wk = 0.0029155 k( 312) = ( 0.5000000 0.2886751 0.0494990), wk = 0.0029155 k( 313) = ( 0.5000000 0.2886751 0.0371242), wk = 0.0029155 k( 314) = ( 0.5000000 0.2886751 0.0247495), wk = 0.0029155 k( 315) = ( 0.5000000 0.2886751 0.0123747), wk = 0.0029155 k( 316) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029155 k( 317) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029155 k( 318) = ( 0.3333333 0.5773503 0.0123747), wk = 0.0029155 k( 319) = ( 0.3333333 0.5773503 0.0247495), wk = 0.0029155 k( 320) = ( 0.3333333 0.5773503 0.0371242), wk = 0.0029155 k( 321) = ( 0.3333333 0.5773503 0.0494990), wk = 0.0029155 k( 322) = ( 0.3333333 0.5773503 0.0618737), wk = 0.0029155 k( 323) = ( 0.3333333 0.5773503 0.0742485), wk = 0.0029155 k( 324) = ( 0.3333333 0.5773503 0.0866232), wk = 0.0029155 k( 325) = ( 0.3333333 0.5773503 0.0989980), wk = 0.0029155 k( 326) = ( 0.3333333 0.5773503 0.1113727), wk = 0.0029155 k( 327) = ( 0.3333333 0.5773503 0.1237475), wk = 0.0029155 k( 328) = ( 0.3333333 0.5773503 0.1361222), wk = 0.0029155 k( 329) = ( 0.3333333 0.5773503 0.1484969), wk = 0.0029155 k( 330) = ( 0.3333333 0.5773503 0.1608717), wk = 0.0029155 k( 331) = ( 0.3333333 0.5773503 0.1732464), wk = 0.0029155 k( 332) = ( 0.3333333 0.5773503 0.1856212), wk = 0.0029155 k( 333) = ( 0.3333333 0.5773503 0.1979959), wk = 0.0029155 k( 334) = ( 0.3333333 0.5773503 0.2103707), wk = 0.0029155 k( 335) = ( 0.3333333 0.5773503 0.2227454), wk = 0.0029155 k( 336) = ( 0.3333333 0.5773503 0.2351202), wk = 0.0029155 k( 337) = ( 0.3333333 0.5773503 0.2474949), wk = 0.0029155 k( 338) = ( 0.3333333 0.5773503 0.2598697), wk = 0.0029155 k( 339) = ( 0.3333333 0.5773503 0.2722444), wk = 0.0029155 k( 340) = ( 0.3333333 0.5773503 0.2846192), wk = 0.0029155 k( 341) = ( 0.3333333 0.5773503 0.2969939), wk = 0.0029155 k( 342) = ( 0.3333333 0.5773503 0.3093686), wk = 0.0029155 k( 343) = ( 0.3333333 0.5773503 0.3217434), wk = 0.0029155 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029155 k( 2) = ( 0.0106383 -0.0000000 0.0000000), wk = 0.0029155 k( 3) = ( 0.0212766 -0.0000000 0.0000000), wk = 0.0029155 k( 4) = ( 0.0319149 0.0000000 0.0000000), wk = 0.0029155 k( 5) = ( 0.0425532 -0.0000000 0.0000000), wk = 0.0029155 k( 6) = ( 0.0531915 0.0000000 0.0000000), wk = 0.0029155 k( 7) = ( 0.0638298 -0.0000000 0.0000000), wk = 0.0029155 k( 8) = ( 0.0744681 0.0000000 0.0000000), wk = 0.0029155 k( 9) = ( 0.0851064 -0.0000000 0.0000000), wk = 0.0029155 k( 10) = ( 0.0957447 0.0000000 0.0000000), wk = 0.0029155 k( 11) = ( 0.1063830 0.0000000 0.0000000), wk = 0.0029155 k( 12) = ( 0.1170213 -0.0000000 0.0000000), wk = 0.0029155 k( 13) = ( 0.1276596 0.0000000 0.0000000), wk = 0.0029155 k( 14) = ( 0.1382979 0.0000000 0.0000000), wk = 0.0029155 k( 15) = ( 0.1489362 0.0000000 0.0000000), wk = 0.0029155 k( 16) = ( 0.1595745 0.0000000 0.0000000), wk = 0.0029155 k( 17) = ( 0.1702128 -0.0000000 0.0000000), wk = 0.0029155 k( 18) = ( 0.1808511 -0.0000000 0.0000000), wk = 0.0029155 k( 19) = ( 0.1914894 0.0000000 0.0000000), wk = 0.0029155 k( 20) = ( 0.2021277 0.0000000 0.0000000), wk = 0.0029155 k( 21) = ( 0.2127660 0.0000000 0.0000000), wk = 0.0029155 k( 22) = ( 0.2234043 0.0000000 0.0000000), wk = 0.0029155 k( 23) = ( 0.2340425 -0.0000000 0.0000000), wk = 0.0029155 k( 24) = ( 0.2446809 0.0000000 0.0000000), wk = 0.0029155 k( 25) = ( 0.2553191 -0.0000000 0.0000000), wk = 0.0029155 k( 26) = ( 0.2659574 -0.0000000 0.0000000), wk = 0.0029155 k( 27) = ( 0.2765957 0.0000000 0.0000000), wk = 0.0029155 k( 28) = ( 0.2872340 0.0000000 0.0000000), wk = 0.0029155 k( 29) = ( 0.2978723 0.0000000 0.0000000), wk = 0.0029155 k( 30) = ( 0.3085106 0.0000000 0.0000000), wk = 0.0029155 k( 31) = ( 0.3191489 0.0000000 0.0000000), wk = 0.0029155 k( 32) = ( 0.3297872 0.0000000 0.0000000), wk = 0.0029155 k( 33) = ( 0.3404255 -0.0000000 0.0000000), wk = 0.0029155 k( 34) = ( 0.3510638 0.0000000 0.0000000), wk = 0.0029155 k( 35) = ( 0.3617021 0.0000000 -0.0000000), wk = 0.0029155 k( 36) = ( 0.3723404 0.0000000 -0.0000000), wk = 0.0029155 k( 37) = ( 0.3829787 0.0000000 0.0000000), wk = 0.0029155 k( 38) = ( 0.3936170 0.0000000 0.0000000), wk = 0.0029155 k( 39) = ( 0.4042553 0.0000000 0.0000000), wk = 0.0029155 k( 40) = ( 0.4148936 0.0000000 0.0000000), wk = 0.0029155 k( 41) = ( 0.4255319 -0.0000000 0.0000000), wk = 0.0029155 k( 42) = ( 0.4361702 0.0000000 0.0000000), wk = 0.0029155 k( 43) = ( 0.4468085 0.0000000 0.0000000), wk = 0.0029155 k( 44) = ( 0.4574468 0.0000000 0.0000000), wk = 0.0029155 k( 45) = ( 0.4680851 0.0000000 0.0000000), wk = 0.0029155 k( 46) = ( 0.4787234 0.0000000 0.0000000), wk = 0.0029155 k( 47) = ( 0.4893617 0.0000000 0.0000000), wk = 0.0029155 k( 48) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029155 k( 49) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029155 k( 50) = ( 0.4938272 0.0123457 0.0000000), wk = 0.0029155 k( 51) = ( 0.4876543 0.0246914 0.0000000), wk = 0.0029155 k( 52) = ( 0.4814815 0.0370370 0.0000000), wk = 0.0029155 k( 53) = ( 0.4753086 0.0493827 0.0000000), wk = 0.0029155 k( 54) = ( 0.4691358 0.0617284 0.0000000), wk = 0.0029155 k( 55) = ( 0.4629630 0.0740741 0.0000000), wk = 0.0029155 k( 56) = ( 0.4567901 0.0864198 0.0000000), wk = 0.0029155 k( 57) = ( 0.4506173 0.0987654 0.0000000), wk = 0.0029155 k( 58) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0029155 k( 59) = ( 0.4382716 0.1234568 0.0000000), wk = 0.0029155 k( 60) = ( 0.4320988 0.1358025 0.0000000), wk = 0.0029155 k( 61) = ( 0.4259259 0.1481482 0.0000000), wk = 0.0029155 k( 62) = ( 0.4197531 0.1604938 0.0000000), wk = 0.0029155 k( 63) = ( 0.4135802 0.1728395 0.0000000), wk = 0.0029155 k( 64) = ( 0.4074074 0.1851852 -0.0000000), wk = 0.0029155 k( 65) = ( 0.4012346 0.1975309 0.0000000), wk = 0.0029155 k( 66) = ( 0.3950617 0.2098765 0.0000000), wk = 0.0029155 k( 67) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0029155 k( 68) = ( 0.3827160 0.2345679 0.0000000), wk = 0.0029155 k( 69) = ( 0.3765432 0.2469136 -0.0000000), wk = 0.0029155 k( 70) = ( 0.3703704 0.2592593 -0.0000000), wk = 0.0029155 k( 71) = ( 0.3641975 0.2716049 -0.0000000), wk = 0.0029155 k( 72) = ( 0.3580247 0.2839506 -0.0000000), wk = 0.0029155 k( 73) = ( 0.3518519 0.2962963 0.0000000), wk = 0.0029155 k( 74) = ( 0.3456790 0.3086420 0.0000000), wk = 0.0029155 k( 75) = ( 0.3395062 0.3209876 0.0000000), wk = 0.0029155 k( 76) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029155 k( 77) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029155 k( 78) = ( 0.3271605 0.3271605 0.0000000), wk = 0.0029155 k( 79) = ( 0.3209877 0.3209877 0.0000000), wk = 0.0029155 k( 80) = ( 0.3148148 0.3148148 0.0000000), wk = 0.0029155 k( 81) = ( 0.3086420 0.3086420 -0.0000000), wk = 0.0029155 k( 82) = ( 0.3024691 0.3024691 0.0000000), wk = 0.0029155 k( 83) = ( 0.2962963 0.2962963 0.0000000), wk = 0.0029155 k( 84) = ( 0.2901235 0.2901235 0.0000000), wk = 0.0029155 k( 85) = ( 0.2839506 0.2839506 0.0000000), wk = 0.0029155 k( 86) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0029155 k( 87) = ( 0.2716049 0.2716049 0.0000000), wk = 0.0029155 k( 88) = ( 0.2654321 0.2654321 0.0000000), wk = 0.0029155 k( 89) = ( 0.2592593 0.2592593 -0.0000000), wk = 0.0029155 k( 90) = ( 0.2530864 0.2530864 -0.0000000), wk = 0.0029155 k( 91) = ( 0.2469136 0.2469136 -0.0000000), wk = 0.0029155 k( 92) = ( 0.2407407 0.2407407 -0.0000000), wk = 0.0029155 k( 93) = ( 0.2345679 0.2345679 -0.0000000), wk = 0.0029155 k( 94) = ( 0.2283951 0.2283951 0.0000000), wk = 0.0029155 k( 95) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0029155 k( 96) = ( 0.2160494 0.2160494 -0.0000000), wk = 0.0029155 k( 97) = ( 0.2098765 0.2098765 0.0000000), wk = 0.0029155 k( 98) = ( 0.2037037 0.2037037 0.0000000), wk = 0.0029155 k( 99) = ( 0.1975309 0.1975309 0.0000000), wk = 0.0029155 k( 100) = ( 0.1913580 0.1913580 0.0000000), wk = 0.0029155 k( 101) = ( 0.1851852 0.1851852 -0.0000000), wk = 0.0029155 k( 102) = ( 0.1790123 0.1790124 0.0000000), wk = 0.0029155 k( 103) = ( 0.1728395 0.1728395 0.0000000), wk = 0.0029155 k( 104) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0029155 k( 105) = ( 0.1604938 0.1604938 0.0000000), wk = 0.0029155 k( 106) = ( 0.1543210 0.1543210 -0.0000000), wk = 0.0029155 k( 107) = ( 0.1481482 0.1481482 0.0000000), wk = 0.0029155 k( 108) = ( 0.1419753 0.1419753 0.0000000), wk = 0.0029155 k( 109) = ( 0.1358025 0.1358025 0.0000000), wk = 0.0029155 k( 110) = ( 0.1296296 0.1296296 -0.0000000), wk = 0.0029155 k( 111) = ( 0.1234568 0.1234568 -0.0000000), wk = 0.0029155 k( 112) = ( 0.1172839 0.1172839 -0.0000000), wk = 0.0029155 k( 113) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0029155 k( 114) = ( 0.1049383 0.1049383 0.0000000), wk = 0.0029155 k( 115) = ( 0.0987654 0.0987654 0.0000000), wk = 0.0029155 k( 116) = ( 0.0925926 0.0925926 0.0000000), wk = 0.0029155 k( 117) = ( 0.0864198 0.0864197 -0.0000000), wk = 0.0029155 k( 118) = ( 0.0802469 0.0802469 -0.0000000), wk = 0.0029155 k( 119) = ( 0.0740741 0.0740741 0.0000000), wk = 0.0029155 k( 120) = ( 0.0679012 0.0679012 0.0000000), wk = 0.0029155 k( 121) = ( 0.0617284 0.0617284 0.0000000), wk = 0.0029155 k( 122) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0029155 k( 123) = ( 0.0493827 0.0493827 0.0000000), wk = 0.0029155 k( 124) = ( 0.0432099 0.0432099 -0.0000000), wk = 0.0029155 k( 125) = ( 0.0370370 0.0370370 0.0000000), wk = 0.0029155 k( 126) = ( 0.0308642 0.0308642 0.0000000), wk = 0.0029155 k( 127) = ( 0.0246914 0.0246914 0.0000000), wk = 0.0029155 k( 128) = ( 0.0185185 0.0185185 0.0000000), wk = 0.0029155 k( 129) = ( 0.0123457 0.0123457 0.0000000), wk = 0.0029155 k( 130) = ( 0.0061728 0.0061728 0.0000000), wk = 0.0029155 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029155 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029155 k( 133) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0029155 k( 134) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0029155 k( 135) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0029155 k( 136) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0029155 k( 137) = ( 0.0000000 0.0000000 0.0961538), wk = 0.0029155 k( 138) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0029155 k( 139) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0029155 k( 140) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0029155 k( 141) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0029155 k( 142) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0029155 k( 143) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0029155 k( 144) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0029155 k( 145) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0029155 k( 146) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0029155 k( 147) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0029155 k( 148) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0029155 k( 149) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0029155 k( 150) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0029155 k( 151) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0029155 k( 152) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0029155 k( 153) = ( 0.0000000 0.0000000 0.4038462), wk = 0.0029155 k( 154) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0029155 k( 155) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0029155 k( 156) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0029155 k( 157) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0029155 k( 158) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029155 k( 159) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029155 k( 160) = ( 0.0106383 -0.0000000 0.5000000), wk = 0.0029155 k( 161) = ( 0.0212766 -0.0000000 0.5000000), wk = 0.0029155 k( 162) = ( 0.0319149 0.0000000 0.5000000), wk = 0.0029155 k( 163) = ( 0.0425532 -0.0000000 0.5000000), wk = 0.0029155 k( 164) = ( 0.0531915 0.0000000 0.5000000), wk = 0.0029155 k( 165) = ( 0.0638298 -0.0000000 0.5000000), wk = 0.0029155 k( 166) = ( 0.0744681 0.0000000 0.5000000), wk = 0.0029155 k( 167) = ( 0.0851064 -0.0000000 0.5000000), wk = 0.0029155 k( 168) = ( 0.0957447 0.0000000 0.5000000), wk = 0.0029155 k( 169) = ( 0.1063830 0.0000000 0.5000000), wk = 0.0029155 k( 170) = ( 0.1170213 -0.0000000 0.5000000), wk = 0.0029155 k( 171) = ( 0.1276596 0.0000000 0.5000000), wk = 0.0029155 k( 172) = ( 0.1382979 0.0000000 0.5000000), wk = 0.0029155 k( 173) = ( 0.1489362 0.0000000 0.5000000), wk = 0.0029155 k( 174) = ( 0.1595745 0.0000000 0.5000000), wk = 0.0029155 k( 175) = ( 0.1702128 -0.0000000 0.5000000), wk = 0.0029155 k( 176) = ( 0.1808511 -0.0000000 0.5000000), wk = 0.0029155 k( 177) = ( 0.1914894 0.0000000 0.5000000), wk = 0.0029155 k( 178) = ( 0.2021277 0.0000000 0.5000000), wk = 0.0029155 k( 179) = ( 0.2127660 0.0000000 0.5000000), wk = 0.0029155 k( 180) = ( 0.2234043 0.0000000 0.5000000), wk = 0.0029155 k( 181) = ( 0.2340425 -0.0000000 0.5000000), wk = 0.0029155 k( 182) = ( 0.2446809 0.0000000 0.5000000), wk = 0.0029155 k( 183) = ( 0.2553191 -0.0000000 0.5000000), wk = 0.0029155 k( 184) = ( 0.2659574 -0.0000000 0.5000000), wk = 0.0029155 k( 185) = ( 0.2765957 0.0000000 0.5000000), wk = 0.0029155 k( 186) = ( 0.2872340 0.0000000 0.5000000), wk = 0.0029155 k( 187) = ( 0.2978723 0.0000000 0.5000000), wk = 0.0029155 k( 188) = ( 0.3085106 0.0000000 0.5000000), wk = 0.0029155 k( 189) = ( 0.3191489 0.0000000 0.5000000), wk = 0.0029155 k( 190) = ( 0.3297872 0.0000000 0.5000000), wk = 0.0029155 k( 191) = ( 0.3404255 -0.0000000 0.5000000), wk = 0.0029155 k( 192) = ( 0.3510638 0.0000000 0.5000000), wk = 0.0029155 k( 193) = ( 0.3617021 0.0000000 0.5000000), wk = 0.0029155 k( 194) = ( 0.3723404 0.0000000 0.5000000), wk = 0.0029155 k( 195) = ( 0.3829787 0.0000000 0.5000000), wk = 0.0029155 k( 196) = ( 0.3936170 0.0000000 0.5000000), wk = 0.0029155 k( 197) = ( 0.4042553 0.0000000 0.5000000), wk = 0.0029155 k( 198) = ( 0.4148936 0.0000000 0.5000000), wk = 0.0029155 k( 199) = ( 0.4255319 -0.0000000 0.5000000), wk = 0.0029155 k( 200) = ( 0.4361702 0.0000000 0.5000000), wk = 0.0029155 k( 201) = ( 0.4468085 0.0000000 0.5000000), wk = 0.0029155 k( 202) = ( 0.4574468 0.0000000 0.5000000), wk = 0.0029155 k( 203) = ( 0.4680851 0.0000000 0.5000000), wk = 0.0029155 k( 204) = ( 0.4787234 0.0000000 0.5000000), wk = 0.0029155 k( 205) = ( 0.4893617 0.0000000 0.5000000), wk = 0.0029155 k( 206) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029155 k( 207) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029155 k( 208) = ( 0.4938272 0.0123457 0.5000000), wk = 0.0029155 k( 209) = ( 0.4876543 0.0246914 0.5000000), wk = 0.0029155 k( 210) = ( 0.4814815 0.0370370 0.5000000), wk = 0.0029155 k( 211) = ( 0.4753086 0.0493827 0.5000000), wk = 0.0029155 k( 212) = ( 0.4691358 0.0617284 0.5000000), wk = 0.0029155 k( 213) = ( 0.4629630 0.0740741 0.5000000), wk = 0.0029155 k( 214) = ( 0.4567901 0.0864198 0.5000000), wk = 0.0029155 k( 215) = ( 0.4506173 0.0987654 0.5000000), wk = 0.0029155 k( 216) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0029155 k( 217) = ( 0.4382716 0.1234568 0.5000000), wk = 0.0029155 k( 218) = ( 0.4320988 0.1358025 0.5000000), wk = 0.0029155 k( 219) = ( 0.4259259 0.1481482 0.5000000), wk = 0.0029155 k( 220) = ( 0.4197531 0.1604938 0.5000000), wk = 0.0029155 k( 221) = ( 0.4135802 0.1728395 0.5000000), wk = 0.0029155 k( 222) = ( 0.4074074 0.1851852 0.5000000), wk = 0.0029155 k( 223) = ( 0.4012346 0.1975309 0.5000000), wk = 0.0029155 k( 224) = ( 0.3950617 0.2098765 0.5000000), wk = 0.0029155 k( 225) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0029155 k( 226) = ( 0.3827160 0.2345679 0.5000000), wk = 0.0029155 k( 227) = ( 0.3765432 0.2469136 0.5000000), wk = 0.0029155 k( 228) = ( 0.3703704 0.2592593 0.5000000), wk = 0.0029155 k( 229) = ( 0.3641975 0.2716049 0.5000000), wk = 0.0029155 k( 230) = ( 0.3580247 0.2839506 0.5000000), wk = 0.0029155 k( 231) = ( 0.3518519 0.2962963 0.5000000), wk = 0.0029155 k( 232) = ( 0.3456790 0.3086420 0.5000000), wk = 0.0029155 k( 233) = ( 0.3395062 0.3209876 0.5000000), wk = 0.0029155 k( 234) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029155 k( 235) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029155 k( 236) = ( 0.3271605 0.3271605 0.5000000), wk = 0.0029155 k( 237) = ( 0.3209877 0.3209877 0.5000000), wk = 0.0029155 k( 238) = ( 0.3148148 0.3148148 0.5000000), wk = 0.0029155 k( 239) = ( 0.3086420 0.3086420 0.5000000), wk = 0.0029155 k( 240) = ( 0.3024691 0.3024691 0.5000000), wk = 0.0029155 k( 241) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0029155 k( 242) = ( 0.2901235 0.2901235 0.5000000), wk = 0.0029155 k( 243) = ( 0.2839506 0.2839506 0.5000000), wk = 0.0029155 k( 244) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0029155 k( 245) = ( 0.2716049 0.2716049 0.5000000), wk = 0.0029155 k( 246) = ( 0.2654321 0.2654321 0.5000000), wk = 0.0029155 k( 247) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0029155 k( 248) = ( 0.2530864 0.2530864 0.5000000), wk = 0.0029155 k( 249) = ( 0.2469136 0.2469136 0.5000000), wk = 0.0029155 k( 250) = ( 0.2407407 0.2407407 0.5000000), wk = 0.0029155 k( 251) = ( 0.2345679 0.2345679 0.5000000), wk = 0.0029155 k( 252) = ( 0.2283951 0.2283951 0.5000000), wk = 0.0029155 k( 253) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0029155 k( 254) = ( 0.2160494 0.2160494 0.5000000), wk = 0.0029155 k( 255) = ( 0.2098765 0.2098765 0.5000000), wk = 0.0029155 k( 256) = ( 0.2037037 0.2037037 0.5000000), wk = 0.0029155 k( 257) = ( 0.1975309 0.1975309 0.5000000), wk = 0.0029155 k( 258) = ( 0.1913580 0.1913580 0.5000000), wk = 0.0029155 k( 259) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0029155 k( 260) = ( 0.1790123 0.1790124 0.5000000), wk = 0.0029155 k( 261) = ( 0.1728395 0.1728395 0.5000000), wk = 0.0029155 k( 262) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0029155 k( 263) = ( 0.1604938 0.1604938 0.5000000), wk = 0.0029155 k( 264) = ( 0.1543210 0.1543210 0.5000000), wk = 0.0029155 k( 265) = ( 0.1481482 0.1481482 0.5000000), wk = 0.0029155 k( 266) = ( 0.1419753 0.1419753 0.5000000), wk = 0.0029155 k( 267) = ( 0.1358025 0.1358025 0.5000000), wk = 0.0029155 k( 268) = ( 0.1296296 0.1296296 0.5000000), wk = 0.0029155 k( 269) = ( 0.1234568 0.1234568 0.5000000), wk = 0.0029155 k( 270) = ( 0.1172839 0.1172839 0.5000000), wk = 0.0029155 k( 271) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0029155 k( 272) = ( 0.1049383 0.1049383 0.5000000), wk = 0.0029155 k( 273) = ( 0.0987654 0.0987654 0.5000000), wk = 0.0029155 k( 274) = ( 0.0925926 0.0925926 0.5000000), wk = 0.0029155 k( 275) = ( 0.0864198 0.0864197 0.5000000), wk = 0.0029155 k( 276) = ( 0.0802469 0.0802469 0.5000000), wk = 0.0029155 k( 277) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0029155 k( 278) = ( 0.0679012 0.0679012 0.5000000), wk = 0.0029155 k( 279) = ( 0.0617284 0.0617284 0.5000000), wk = 0.0029155 k( 280) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0029155 k( 281) = ( 0.0493827 0.0493827 0.5000000), wk = 0.0029155 k( 282) = ( 0.0432099 0.0432099 0.5000000), wk = 0.0029155 k( 283) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0029155 k( 284) = ( 0.0308642 0.0308642 0.5000000), wk = 0.0029155 k( 285) = ( 0.0246914 0.0246914 0.5000000), wk = 0.0029155 k( 286) = ( 0.0185185 0.0185185 0.5000000), wk = 0.0029155 k( 287) = ( 0.0123457 0.0123457 0.5000000), wk = 0.0029155 k( 288) = ( 0.0061728 0.0061728 0.5000000), wk = 0.0029155 k( 289) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029155 k( 290) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029155 k( 291) = ( 0.5000000 0.0000000 0.4807692), wk = 0.0029155 k( 292) = ( 0.5000000 0.0000000 0.4615385), wk = 0.0029155 k( 293) = ( 0.5000000 0.0000000 0.4423077), wk = 0.0029155 k( 294) = ( 0.5000000 0.0000000 0.4230769), wk = 0.0029155 k( 295) = ( 0.5000000 0.0000000 0.4038461), wk = 0.0029155 k( 296) = ( 0.5000000 0.0000000 0.3846154), wk = 0.0029155 k( 297) = ( 0.5000000 0.0000000 0.3653846), wk = 0.0029155 k( 298) = ( 0.5000000 0.0000000 0.3461538), wk = 0.0029155 k( 299) = ( 0.5000000 0.0000000 0.3269231), wk = 0.0029155 k( 300) = ( 0.5000000 0.0000000 0.3076923), wk = 0.0029155 k( 301) = ( 0.5000000 0.0000000 0.2884615), wk = 0.0029155 k( 302) = ( 0.5000000 0.0000000 0.2692308), wk = 0.0029155 k( 303) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0029155 k( 304) = ( 0.5000000 0.0000000 0.2307692), wk = 0.0029155 k( 305) = ( 0.5000000 0.0000000 0.2115385), wk = 0.0029155 k( 306) = ( 0.5000000 0.0000000 0.1923077), wk = 0.0029155 k( 307) = ( 0.5000000 0.0000000 0.1730769), wk = 0.0029155 k( 308) = ( 0.5000000 0.0000000 0.1538461), wk = 0.0029155 k( 309) = ( 0.5000000 0.0000000 0.1346154), wk = 0.0029155 k( 310) = ( 0.5000000 0.0000000 0.1153846), wk = 0.0029155 k( 311) = ( 0.5000000 0.0000000 0.0961538), wk = 0.0029155 k( 312) = ( 0.5000000 0.0000000 0.0769231), wk = 0.0029155 k( 313) = ( 0.5000000 0.0000000 0.0576923), wk = 0.0029155 k( 314) = ( 0.5000000 0.0000000 0.0384615), wk = 0.0029155 k( 315) = ( 0.5000000 0.0000000 0.0192308), wk = 0.0029155 k( 316) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029155 k( 317) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029155 k( 318) = ( 0.3333333 0.3333333 0.0192308), wk = 0.0029155 k( 319) = ( 0.3333333 0.3333333 0.0384615), wk = 0.0029155 k( 320) = ( 0.3333333 0.3333333 0.0576923), wk = 0.0029155 k( 321) = ( 0.3333333 0.3333333 0.0769231), wk = 0.0029155 k( 322) = ( 0.3333333 0.3333333 0.0961538), wk = 0.0029155 k( 323) = ( 0.3333333 0.3333333 0.1153846), wk = 0.0029155 k( 324) = ( 0.3333333 0.3333333 0.1346154), wk = 0.0029155 k( 325) = ( 0.3333333 0.3333333 0.1538461), wk = 0.0029155 k( 326) = ( 0.3333333 0.3333333 0.1730769), wk = 0.0029155 k( 327) = ( 0.3333333 0.3333333 0.1923077), wk = 0.0029155 k( 328) = ( 0.3333333 0.3333333 0.2115385), wk = 0.0029155 k( 329) = ( 0.3333333 0.3333333 0.2307692), wk = 0.0029155 k( 330) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0029155 k( 331) = ( 0.3333333 0.3333333 0.2692308), wk = 0.0029155 k( 332) = ( 0.3333333 0.3333333 0.2884615), wk = 0.0029155 k( 333) = ( 0.3333333 0.3333333 0.3076923), wk = 0.0029155 k( 334) = ( 0.3333333 0.3333333 0.3269231), wk = 0.0029155 k( 335) = ( 0.3333333 0.3333333 0.3461538), wk = 0.0029155 k( 336) = ( 0.3333333 0.3333333 0.3653846), wk = 0.0029155 k( 337) = ( 0.3333333 0.3333333 0.3846154), wk = 0.0029155 k( 338) = ( 0.3333333 0.3333333 0.4038462), wk = 0.0029155 k( 339) = ( 0.3333333 0.3333333 0.4230769), wk = 0.0029155 k( 340) = ( 0.3333333 0.3333333 0.4423077), wk = 0.0029155 k( 341) = ( 0.3333333 0.3333333 0.4615385), wk = 0.0029155 k( 342) = ( 0.3333333 0.3333333 0.4807692), wk = 0.0029155 k( 343) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029155 Dense grid: 154299 G-vectors FFT dimensions: ( 64, 64, 96) Smooth grid: 25083 G-vectors FFT dimensions: ( 36, 36, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 184, 46) NL pseudopotentials 0.19 Mb ( 92, 136) Each V/rho on FFT grid 0.19 Mb ( 12288) Each G-vector array 0.03 Mb ( 4287) G-vector shells 0.01 Mb ( 1932) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.52 Mb ( 184, 184) Each subspace H/S matrix 0.03 Mb ( 46, 46) Each matrix 0.19 Mb ( 136, 2, 46) The potential is recalculated from file : ./VTe.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 3.4 secs Computing kpt #: 3 total cpu time spent up to now is 3.7 secs Computing kpt #: 4 total cpu time spent up to now is 4.0 secs Computing kpt #: 5 total cpu time spent up to now is 4.3 secs Computing kpt #: 6 total cpu time spent up to now is 4.6 secs Computing kpt #: 7 total cpu time spent up to now is 5.0 secs Computing kpt #: 8 total cpu time spent up to now is 5.3 secs Computing kpt #: 9 total cpu time spent up to now is 5.6 secs Computing kpt #: 10 total cpu time spent up to now is 5.9 secs Computing kpt #: 11 total cpu time spent up to now is 6.3 secs Computing kpt #: 12 total cpu time spent up to now is 6.7 secs Computing kpt #: 13 total cpu time spent up to now is 7.0 secs Computing kpt #: 14 total cpu time spent up to now is 7.4 secs Computing kpt #: 15 total cpu time spent up to now is 7.8 secs Computing kpt #: 16 total cpu time spent up to now is 8.3 secs Computing kpt #: 17 total cpu time spent up to now is 8.7 secs Computing kpt #: 18 total cpu time spent up to now is 9.2 secs Computing kpt #: 19 total cpu time spent up to now is 9.7 secs Computing kpt #: 20 total cpu time spent up to now is 10.2 secs Computing kpt #: 21 total cpu time spent up to now is 10.7 secs Computing kpt #: 22 total cpu time spent up to now is 11.2 secs Computing kpt #: 23 total cpu time spent up to now is 11.7 secs Computing kpt #: 24 total cpu time spent up to now is 12.1 secs Computing kpt #: 25 total cpu time spent up to now is 12.6 secs Computing kpt #: 26 total cpu time spent up to now is 13.1 secs Computing kpt #: 27 total cpu time spent up to now is 13.6 secs Computing kpt #: 28 total cpu time spent up to now is 14.0 secs Computing kpt #: 29 total cpu time spent up to now is 14.4 secs Computing kpt #: 30 total cpu time spent up to now is 14.9 secs Computing kpt #: 31 total cpu time spent up to now is 15.3 secs Computing kpt #: 32 total cpu time spent up to now is 15.7 secs Computing kpt #: 33 total cpu time spent up to now is 16.1 secs Computing kpt #: 34 total cpu time spent up to now is 16.6 secs Computing kpt #: 35 total cpu time spent up to now is 17.0 secs Computing kpt #: 36 total cpu time spent up to now is 17.4 secs Computing kpt #: 37 total cpu time spent up to now is 17.7 secs Computing kpt #: 38 total cpu time spent up to now is 18.1 secs Computing kpt #: 39 total cpu time spent up to now is 18.5 secs Computing kpt #: 40 total cpu time spent up to now is 18.9 secs Computing kpt #: 41 total cpu time spent up to now is 19.2 secs Computing kpt #: 42 total cpu time spent up to now is 19.6 secs Computing kpt #: 43 total cpu time spent up to now is 20.0 secs Computing kpt #: 44 total cpu time spent up to now is 20.3 secs Computing kpt #: 45 total cpu time spent up to now is 20.6 secs Computing kpt #: 46 total cpu time spent up to now is 21.0 secs Computing kpt #: 47 total cpu time spent up to now is 21.4 secs Computing kpt #: 48 total cpu time spent up to now is 21.7 secs Computing kpt #: 49 total cpu time spent up to now is 22.0 secs Computing kpt #: 50 total cpu time spent up to now is 22.3 secs Computing kpt #: 51 total cpu time spent up to now is 22.7 secs Computing kpt #: 52 total cpu time spent up to now is 23.0 secs Computing kpt #: 53 total cpu time spent up to now is 23.4 secs Computing kpt #: 54 total cpu time spent up to now is 23.8 secs Computing kpt #: 55 total cpu time spent up to now is 24.1 secs Computing kpt #: 56 total cpu time spent up to now is 24.5 secs Computing kpt #: 57 total cpu time spent up to now is 24.8 secs Computing kpt #: 58 total cpu time spent up to now is 25.2 secs Computing kpt #: 59 total cpu time spent up to now is 25.6 secs Computing kpt #: 60 total cpu time spent up to now is 25.9 secs Computing kpt #: 61 total cpu time spent up to now is 26.3 secs Computing kpt #: 62 total cpu time spent up to now is 26.7 secs Computing kpt #: 63 total cpu time spent up to now is 27.1 secs Computing kpt #: 64 total cpu time spent up to now is 27.5 secs Computing kpt #: 65 total cpu time spent up to now is 27.9 secs Computing kpt #: 66 total cpu time spent up to now is 28.2 secs Computing kpt #: 67 total cpu time spent up to now is 28.6 secs Computing kpt #: 68 total cpu time spent up to now is 29.0 secs Computing kpt #: 69 total cpu time spent up to now is 29.4 secs Computing kpt #: 70 total cpu time spent up to now is 29.8 secs Computing kpt #: 71 total cpu time spent up to now is 30.3 secs Computing kpt #: 72 total cpu time spent up to now is 30.7 secs Computing kpt #: 73 total cpu time spent up to now is 31.1 secs Computing kpt #: 74 total cpu time spent up to now is 31.5 secs Computing kpt #: 75 total cpu time spent up to now is 32.0 secs Computing kpt #: 76 total cpu time spent up to now is 33.1 secs Computing kpt #: 77 total cpu time spent up to now is 33.8 secs Computing kpt #: 78 total cpu time spent up to now is 34.3 secs Computing kpt #: 79 total cpu time spent up to now is 34.8 secs Computing kpt #: 80 total cpu time spent up to now is 35.2 secs Computing kpt #: 81 total cpu time spent up to now is 35.6 secs Computing kpt #: 82 total cpu time spent up to now is 36.0 secs Computing kpt #: 83 total cpu time spent up to now is 36.4 secs Computing kpt #: 84 total cpu time spent up to now is 36.8 secs Computing kpt #: 85 total cpu time spent up to now is 37.2 secs Computing kpt #: 86 total cpu time spent up to now is 37.6 secs Computing kpt #: 87 total cpu time spent up to now is 38.0 secs Computing kpt #: 88 total cpu time spent up to now is 38.4 secs Computing kpt #: 89 total cpu time spent up to now is 38.8 secs Computing kpt #: 90 total cpu time spent up to now is 39.2 secs Computing kpt #: 91 total cpu time spent up to now is 39.6 secs Computing kpt #: 92 total cpu time spent up to now is 40.0 secs Computing kpt #: 93 total cpu time spent up to now is 40.4 secs Computing kpt #: 94 total cpu time spent up to now is 40.8 secs Computing kpt #: 95 total cpu time spent up to now is 41.2 secs Computing kpt #: 96 total cpu time spent up to now is 41.6 secs Computing kpt #: 97 total cpu time spent up to now is 41.9 secs Computing kpt #: 98 total cpu time spent up to now is 42.3 secs Computing kpt #: 99 total cpu time spent up to now is 42.7 secs Computing kpt #: 100 total cpu time spent up to now is 43.1 secs Computing kpt #: 101 total cpu time spent up to now is 43.5 secs Computing kpt #: 102 total cpu time spent up to now is 43.9 secs Computing kpt #: 103 total cpu time spent up to now is 44.4 secs Computing kpt #: 104 total cpu time spent up to now is 44.8 secs Computing kpt #: 105 total cpu time spent up to now is 45.2 secs Computing kpt #: 106 total cpu time spent up to now is 45.6 secs Computing kpt #: 107 total cpu time spent up to now is 46.0 secs Computing kpt #: 108 total cpu time spent up to now is 46.4 secs Computing kpt #: 109 total cpu time spent up to now is 46.9 secs Computing kpt #: 110 total cpu time spent up to now is 47.4 secs Computing kpt #: 111 total cpu time spent up to now is 48.2 secs Computing kpt #: 112 total cpu time spent up to now is 49.0 secs Computing kpt #: 113 total cpu time spent up to now is 49.7 secs Computing kpt #: 114 total cpu time spent up to now is 50.2 secs Computing kpt #: 115 total cpu time spent up to now is 50.7 secs Computing kpt #: 116 total cpu time spent up to now is 51.1 secs Computing kpt #: 117 total cpu time spent up to now is 51.5 secs Computing kpt #: 118 total cpu time spent up to now is 51.8 secs Computing kpt #: 119 total cpu time spent up to now is 52.2 secs Computing kpt #: 120 total cpu time spent up to now is 52.5 secs Computing kpt #: 121 total cpu time spent up to now is 52.8 secs Computing kpt #: 122 total cpu time spent up to now is 53.1 secs Computing kpt #: 123 total cpu time spent up to now is 53.5 secs Computing kpt #: 124 total cpu time spent up to now is 53.8 secs Computing kpt #: 125 total cpu time spent up to now is 54.1 secs Computing kpt #: 126 total cpu time spent up to now is 54.4 secs Computing kpt #: 127 total cpu time spent up to now is 54.8 secs Computing kpt #: 128 total cpu time spent up to now is 55.1 secs Computing kpt #: 129 total cpu time spent up to now is 55.4 secs Computing kpt #: 130 total cpu time spent up to now is 55.8 secs Computing kpt #: 131 total cpu time spent up to now is 56.1 secs Computing kpt #: 132 total cpu time spent up to now is 56.4 secs Computing kpt #: 133 total cpu time spent up to now is 56.7 secs Computing kpt #: 134 total cpu time spent up to now is 57.1 secs Computing kpt #: 135 total cpu time spent up to now is 57.4 secs Computing kpt #: 136 total cpu time spent up to now is 57.7 secs Computing kpt #: 137 total cpu time spent up to now is 58.1 secs Computing kpt #: 138 total cpu time spent up to now is 58.4 secs Computing kpt #: 139 total cpu time spent up to now is 58.7 secs Computing kpt #: 140 total cpu time spent up to now is 59.1 secs Computing kpt #: 141 total cpu time spent up to now is 59.4 secs Computing kpt #: 142 total cpu time spent up to now is 59.7 secs Computing kpt #: 143 total cpu time spent up to now is 60.1 secs Computing kpt #: 144 total cpu time spent up to now is 60.5 secs Computing kpt #: 145 total cpu time spent up to now is 61.3 secs Computing kpt #: 146 total cpu time spent up to now is 61.8 secs Computing kpt #: 147 total cpu time spent up to now is 62.2 secs Computing kpt #: 148 total cpu time spent up to now is 62.6 secs Computing kpt #: 149 total cpu time spent up to now is 63.0 secs Computing kpt #: 150 total cpu time spent up to now is 63.4 secs Computing kpt #: 151 total cpu time spent up to now is 63.9 secs Computing kpt #: 152 total cpu time spent up to now is 64.3 secs Computing kpt #: 153 total cpu time spent up to now is 64.7 secs Computing kpt #: 154 total cpu time spent up to now is 65.1 secs Computing kpt #: 155 total cpu time spent up to now is 65.5 secs Computing kpt #: 156 total cpu time spent up to now is 66.0 secs Computing kpt #: 157 total cpu time spent up to now is 66.4 secs Computing kpt #: 158 total cpu time spent up to now is 66.9 secs Computing kpt #: 159 total cpu time spent up to now is 67.3 secs Computing kpt #: 160 total cpu time spent up to now is 67.7 secs Computing kpt #: 161 total cpu time spent up to now is 68.1 secs Computing kpt #: 162 total cpu time spent up to now is 68.5 secs Computing kpt #: 163 total cpu time spent up to now is 68.9 secs Computing kpt #: 164 total cpu time spent up to now is 69.3 secs Computing kpt #: 165 total cpu time spent up to now is 69.8 secs Computing kpt #: 166 total cpu time spent up to now is 70.2 secs Computing kpt #: 167 total cpu time spent up to now is 70.6 secs Computing kpt #: 168 total cpu time spent up to now is 71.0 secs Computing kpt #: 169 total cpu time spent up to now is 71.5 secs Computing kpt #: 170 total cpu time spent up to now is 71.9 secs Computing kpt #: 171 total cpu time spent up to now is 72.3 secs Computing kpt #: 172 total cpu time spent up to now is 72.7 secs Computing kpt #: 173 total cpu time spent up to now is 73.1 secs Computing kpt #: 174 total cpu time spent up to now is 73.6 secs Computing kpt #: 175 total cpu time spent up to now is 74.0 secs Computing kpt #: 176 total cpu time spent up to now is 74.5 secs Computing kpt #: 177 total cpu time spent up to now is 74.9 secs Computing kpt #: 178 total cpu time spent up to now is 75.4 secs Computing kpt #: 179 total cpu time spent up to now is 75.8 secs Computing kpt #: 180 total cpu time spent up to now is 76.3 secs Computing kpt #: 181 total cpu time spent up to now is 76.7 secs Computing kpt #: 182 total cpu time spent up to now is 77.2 secs Computing kpt #: 183 total cpu time spent up to now is 77.6 secs Computing kpt #: 184 total cpu time spent up to now is 78.1 secs Computing kpt #: 185 total cpu time spent up to now is 78.8 secs Computing kpt #: 186 total cpu time spent up to now is 79.3 secs Computing kpt #: 187 total cpu time spent up to now is 79.7 secs Computing kpt #: 188 total cpu time spent up to now is 80.2 secs Computing kpt #: 189 total cpu time spent up to now is 80.7 secs Computing kpt #: 190 total cpu time spent up to now is 81.1 secs Computing kpt #: 191 total cpu time spent up to now is 81.6 secs Computing kpt #: 192 total cpu time spent up to now is 82.0 secs Computing kpt #: 193 total cpu time spent up to now is 82.5 secs Computing kpt #: 194 total cpu time spent up to now is 82.9 secs Computing kpt #: 195 total cpu time spent up to now is 83.4 secs Computing kpt #: 196 total cpu time spent up to now is 83.8 secs Computing kpt #: 197 total cpu time spent up to now is 84.2 secs Computing kpt #: 198 total cpu time spent up to now is 84.6 secs Computing kpt #: 199 total cpu time spent up to now is 85.0 secs Computing kpt #: 200 total cpu time spent up to now is 85.4 secs Computing kpt #: 201 total cpu time spent up to now is 85.8 secs Computing kpt #: 202 total cpu time spent up to now is 86.2 secs Computing kpt #: 203 total cpu time spent up to now is 86.6 secs Computing kpt #: 204 total cpu time spent up to now is 87.0 secs Computing kpt #: 205 total cpu time spent up to now is 87.4 secs Computing kpt #: 206 total cpu time spent up to now is 87.8 secs Computing kpt #: 207 total cpu time spent up to now is 88.2 secs Computing kpt #: 208 total cpu time spent up to now is 88.9 secs Computing kpt #: 209 total cpu time spent up to now is 89.5 secs Computing kpt #: 210 total cpu time spent up to now is 90.0 secs Computing kpt #: 211 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 91.2 secs Computing kpt #: 212 total cpu time spent up to now is 91.7 secs Computing kpt #: 213 total cpu time spent up to now is 92.2 secs Computing kpt #: 214 total cpu time spent up to now is 92.7 secs Computing kpt #: 215 total cpu time spent up to now is 93.1 secs Computing kpt #: 216 total cpu time spent up to now is 93.6 secs Computing kpt #: 217 total cpu time spent up to now is 94.1 secs Computing kpt #: 218 total cpu time spent up to now is 94.6 secs Computing kpt #: 219 total cpu time spent up to now is 95.0 secs Computing kpt #: 220 total cpu time spent up to now is 95.5 secs Computing kpt #: 221 total cpu time spent up to now is 96.0 secs Computing kpt #: 222 total cpu time spent up to now is 96.5 secs Computing kpt #: 223 total cpu time spent up to now is 96.9 secs Computing kpt #: 224 total cpu time spent up to now is 97.4 secs Computing kpt #: 225 total cpu time spent up to now is 97.9 secs Computing kpt #: 226 total cpu time spent up to now is 98.4 secs Computing kpt #: 227 total cpu time spent up to now is 98.9 secs Computing kpt #: 228 total cpu time spent up to now is 99.4 secs Computing kpt #: 229 total cpu time spent up to now is 99.9 secs Computing kpt #: 230 total cpu time spent up to now is 100.3 secs Computing kpt #: 231 total cpu time spent up to now is 100.8 secs Computing kpt #: 232 total cpu time spent up to now is 101.3 secs Computing kpt #: 233 total cpu time spent up to now is 102.0 secs Computing kpt #: 234 total cpu time spent up to now is 102.7 secs Computing kpt #: 235 total cpu time spent up to now is 103.3 secs Computing kpt #: 236 total cpu time spent up to now is 104.0 secs Computing kpt #: 237 total cpu time spent up to now is 104.5 secs Computing kpt #: 238 total cpu time spent up to now is 105.0 secs Computing kpt #: 239 total cpu time spent up to now is 105.5 secs Computing kpt #: 240 total cpu time spent up to now is 106.0 secs Computing kpt #: 241 total cpu time spent up to now is 106.4 secs Computing kpt #: 242 total cpu time spent up to now is 106.9 secs Computing kpt #: 243 total cpu time spent up to now is 107.4 secs Computing kpt #: 244 total cpu time spent up to now is 107.9 secs Computing kpt #: 245 total cpu time spent up to now is 108.4 secs Computing kpt #: 246 total cpu time spent up to now is 108.8 secs Computing kpt #: 247 total cpu time spent up to now is 109.3 secs Computing kpt #: 248 total cpu time spent up to now is 109.8 secs Computing kpt #: 249 total cpu time spent up to now is 110.3 secs Computing kpt #: 250 total cpu time spent up to now is 110.8 secs Computing kpt #: 251 total cpu time spent up to now is 111.2 secs Computing kpt #: 252 total cpu time spent up to now is 111.7 secs Computing kpt #: 253 total cpu time spent up to now is 112.2 secs Computing kpt #: 254 total cpu time spent up to now is 112.7 secs Computing kpt #: 255 total cpu time spent up to now is 113.1 secs Computing kpt #: 256 total cpu time spent up to now is 113.7 secs Computing kpt #: 257 total cpu time spent up to now is 114.2 secs Computing kpt #: 258 total cpu time spent up to now is 114.7 secs Computing kpt #: 259 total cpu time spent up to now is 115.2 secs Computing kpt #: 260 total cpu time spent up to now is 115.7 secs Computing kpt #: 261 total cpu time spent up to now is 116.1 secs Computing kpt #: 262 total cpu time spent up to now is 116.6 secs Computing kpt #: 263 total cpu time spent up to now is 117.0 secs Computing kpt #: 264 total cpu time spent up to now is 117.5 secs Computing kpt #: 265 total cpu time spent up to now is 118.0 secs Computing kpt #: 266 total cpu time spent up to now is 118.5 secs Computing kpt #: 267 total cpu time spent up to now is 119.0 secs Computing kpt #: 268 total cpu time spent up to now is 119.5 secs Computing kpt #: 269 total cpu time spent up to now is 120.0 secs Computing kpt #: 270 total cpu time spent up to now is 120.5 secs Computing kpt #: 271 total cpu time spent up to now is 121.0 secs Computing kpt #: 272 total cpu time spent up to now is 121.5 secs Computing kpt #: 273 total cpu time spent up to now is 122.0 secs Computing kpt #: 274 total cpu time spent up to now is 122.5 secs Computing kpt #: 275 total cpu time spent up to now is 123.0 secs Computing kpt #: 276 total cpu time spent up to now is 123.5 secs Computing kpt #: 277 total cpu time spent up to now is 124.0 secs Computing kpt #: 278 total cpu time spent up to now is 124.4 secs Computing kpt #: 279 total cpu time spent up to now is 124.9 secs Computing kpt #: 280 total cpu time spent up to now is 125.4 secs Computing kpt #: 281 total cpu time spent up to now is 125.9 secs Computing kpt #: 282 total cpu time spent up to now is 126.5 secs Computing kpt #: 283 total cpu time spent up to now is 127.4 secs Computing kpt #: 284 total cpu time spent up to now is 128.4 secs Computing kpt #: 285 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 129.6 secs Computing kpt #: 286 total cpu time spent up to now is 130.1 secs Computing kpt #: 287 total cpu time spent up to now is 130.5 secs Computing kpt #: 288 total cpu time spent up to now is 130.9 secs Computing kpt #: 289 total cpu time spent up to now is 131.3 secs Computing kpt #: 290 total cpu time spent up to now is 131.7 secs Computing kpt #: 291 total cpu time spent up to now is 132.1 secs Computing kpt #: 292 total cpu time spent up to now is 132.5 secs Computing kpt #: 293 total cpu time spent up to now is 132.9 secs Computing kpt #: 294 total cpu time spent up to now is 133.3 secs Computing kpt #: 295 total cpu time spent up to now is 133.7 secs Computing kpt #: 296 total cpu time spent up to now is 134.0 secs Computing kpt #: 297 total cpu time spent up to now is 134.4 secs Computing kpt #: 298 total cpu time spent up to now is 134.8 secs Computing kpt #: 299 total cpu time spent up to now is 135.1 secs Computing kpt #: 300 total cpu time spent up to now is 135.5 secs Computing kpt #: 301 total cpu time spent up to now is 135.9 secs Computing kpt #: 302 total cpu time spent up to now is 136.2 secs Computing kpt #: 303 total cpu time spent up to now is 136.6 secs Computing kpt #: 304 total cpu time spent up to now is 137.0 secs Computing kpt #: 305 total cpu time spent up to now is 137.4 secs Computing kpt #: 306 total cpu time spent up to now is 137.7 secs Computing kpt #: 307 total cpu time spent up to now is 138.1 secs Computing kpt #: 308 total cpu time spent up to now is 138.5 secs Computing kpt #: 309 total cpu time spent up to now is 138.8 secs Computing kpt #: 310 total cpu time spent up to now is 139.2 secs Computing kpt #: 311 total cpu time spent up to now is 139.5 secs Computing kpt #: 312 total cpu time spent up to now is 139.9 secs Computing kpt #: 313 total cpu time spent up to now is 140.2 secs Computing kpt #: 314 total cpu time spent up to now is 140.5 secs Computing kpt #: 315 total cpu time spent up to now is 140.9 secs Computing kpt #: 316 total cpu time spent up to now is 141.2 secs Computing kpt #: 317 total cpu time spent up to now is 142.0 secs Computing kpt #: 318 total cpu time spent up to now is 142.8 secs Computing kpt #: 319 total cpu time spent up to now is 143.7 secs Computing kpt #: 320 total cpu time spent up to now is 144.4 secs Computing kpt #: 321 total cpu time spent up to now is 145.3 secs Computing kpt #: 322 total cpu time spent up to now is 145.8 secs Computing kpt #: 323 total cpu time spent up to now is 146.3 secs Computing kpt #: 324 total cpu time spent up to now is 146.7 secs Computing kpt #: 325 total cpu time spent up to now is 147.2 secs Computing kpt #: 326 total cpu time spent up to now is 148.0 secs Computing kpt #: 327 total cpu time spent up to now is 148.8 secs Computing kpt #: 328 total cpu time spent up to now is 149.4 secs Computing kpt #: 329 total cpu time spent up to now is 149.9 secs Computing kpt #: 330 total cpu time spent up to now is 150.7 secs Computing kpt #: 331 total cpu time spent up to now is 151.4 secs Computing kpt #: 332 total cpu time spent up to now is 152.1 secs Computing kpt #: 333 total cpu time spent up to now is 152.5 secs Computing kpt #: 334 total cpu time spent up to now is 153.0 secs Computing kpt #: 335 total cpu time spent up to now is 153.5 secs Computing kpt #: 336 total cpu time spent up to now is 154.0 secs Computing kpt #: 337 total cpu time spent up to now is 154.4 secs Computing kpt #: 338 total cpu time spent up to now is 154.9 secs Computing kpt #: 339 total cpu time spent up to now is 155.4 secs Computing kpt #: 340 total cpu time spent up to now is 155.9 secs Computing kpt #: 341 total cpu time spent up to now is 156.5 secs Computing kpt #: 342 total cpu time spent up to now is 157.2 secs Computing kpt #: 343 total cpu time spent up to now is 157.9 secs ethr = 2.63E-08, avg # of iterations = 25.1 total cpu time spent up to now is 157.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3127 PWs) bands (ev): -52.5926 -52.5926 -52.5804 -52.5804 -27.0376 -27.0376 -27.0050 -27.0050 -26.2317 -26.2317 -26.2123 -26.2123 -26.1970 -26.1970 -26.1393 -26.1393 -2.0103 -2.0103 -0.0473 -0.0473 4.9273 4.9273 7.8215 7.8215 8.1703 8.1703 10.0693 10.0693 10.2808 10.2808 10.8861 10.8861 10.8955 10.8955 11.1549 11.1549 11.1852 11.1852 11.2050 11.2050 11.6458 11.6458 12.3592 12.3592 12.3836 12.3836 k = 0.0106 0.0061-0.0000 ( 3119 PWs) bands (ev): -52.5926 -52.5926 -52.5804 -52.5804 -27.0376 -27.0376 -27.0050 -27.0050 -26.2317 -26.2317 -26.2123 -26.2123 -26.1970 -26.1970 -26.1393 -26.1393 -2.0092 -2.0092 -0.0471 -0.0471 4.9287 4.9287 7.8207 7.8207 8.1694 8.1694 10.0625 10.0625 10.2735 10.2735 10.8769 10.8769 10.8921 10.8921 11.1472 11.1472 11.1797 11.1797 11.2201 11.2201 11.6620 11.6620 12.3598 12.3598 12.3843 12.3843 k = 0.0213 0.0123-0.0000 ( 3127 PWs) bands (ev): -52.5926 -52.5926 -52.5804 -52.5804 -27.0376 -27.0376 -27.0050 -27.0050 -26.2317 -26.2317 -26.2124 -26.2124 -26.1971 -26.1971 -26.1393 -26.1393 -2.0056 -2.0056 -0.0464 -0.0464 4.9332 4.9332 7.8181 7.8181 8.1668 8.1668 10.0408 10.0408 10.2549 10.2549 10.8295 10.8295 10.9047 10.9047 11.1201 11.1201 11.1761 11.1761 11.2573 11.2573 11.7045 11.7045 12.3617 12.3617 12.3870 12.3870 k = 0.0319 0.0184-0.0000 ( 3125 PWs) bands (ev): -52.5926 -52.5926 -52.5804 -52.5804 -27.0376 -27.0376 -27.0051 -27.0051 -26.2317 -26.2317 -26.2124 -26.2124 -26.1971 -26.1971 -26.1393 -26.1393 -1.9997 -1.9997 -0.0452 -0.0452 4.9407 4.9407 7.8136 7.8136 8.1627 8.1627 10.0014 10.0014 10.2318 10.2318 10.7659 10.7659 10.9061 10.9061 11.0940 11.0940 11.1781 11.1781 11.3047 11.3047 11.7623 11.7623 12.3640 12.3640 12.3930 12.3930 k = 0.0426 0.0246-0.0000 ( 3125 PWs) bands (ev): -52.5926 -52.5926 -52.5804 -52.5804 -27.0376 -27.0376 -27.0051 -27.0051 -26.2317 -26.2317 -26.2125 -26.2125 -26.1972 -26.1972 -26.1393 -26.1393 -1.9915 -1.9915 -0.0435 -0.0435 4.9511 4.9511 7.8072 7.8072 8.1572 8.1572 9.9433 9.9433 10.2095 10.2095 10.6945 10.6945 10.8734 10.8734 11.0978 11.0978 11.1827 11.1827 11.3553 11.3553 11.8262 11.8262 12.3660 12.3660 12.4042 12.4042 k = 0.0532 0.0307-0.0000 ( 3117 PWs) bands (ev): -52.5926 -52.5926 -52.5804 -52.5804 -27.0377 -27.0377 -27.0052 -27.0052 -26.2317 -26.2317 -26.2126 -26.2126 -26.1973 -26.1973 -26.1393 -26.1393 -1.9809 -1.9809 -0.0413 -0.0413 4.9644 4.9644 7.7986 7.7986 8.1505 8.1505 9.8682 9.8682 10.1888 10.1888 10.6199 10.6199 10.8108 10.8108 11.1290 11.1290 11.1893 11.1893 11.4063 11.4063 11.8900 11.8900 12.3672 12.3672 12.4229 12.4229 k = 0.0638 0.0369-0.0000 ( 3117 PWs) bands (ev): -52.5925 -52.5925 -52.5804 -52.5804 -27.0377 -27.0377 -27.0053 -27.0053 -26.2317 -26.2317 -26.2128 -26.2128 -26.1974 -26.1974 -26.1394 -26.1394 -1.9681 -1.9681 -0.0387 -0.0387 4.9807 4.9807 7.7875 7.7875 8.1431 8.1431 9.7794 9.7794 10.1675 10.1675 10.5458 10.5458 10.7342 10.7342 11.1718 11.1718 11.1975 11.1975 11.4566 11.4566 11.9489 11.9489 12.3678 12.3678 12.4509 12.4509 k = 0.0745 0.0430-0.0000 ( 3117 PWs) bands (ev): -52.5925 -52.5925 -52.5803 -52.5803 -27.0378 -27.0378 -27.0054 -27.0054 -26.2317 -26.2317 -26.2129 -26.2129 -26.1975 -26.1975 -26.1394 -26.1394 -1.9529 -1.9529 -0.0357 -0.0357 4.9999 4.9999 7.7738 7.7738 8.1351 8.1351 9.6798 9.6798 10.1425 10.1425 10.4756 10.4756 10.6518 10.6518 11.2070 11.2070 11.2180 11.2180 11.5062 11.5062 11.9993 11.9993 12.3678 12.3678 12.4903 12.4903 k = 0.0851 0.0491-0.0000 ( 3113 PWs) bands (ev): -52.5925 -52.5925 -52.5803 -52.5803 -27.0378 -27.0378 -27.0055 -27.0055 -26.2317 -26.2317 -26.2131 -26.2131 -26.1976 -26.1976 -26.1394 -26.1394 -1.9354 -1.9354 -0.0323 -0.0323 5.0220 5.0220 7.7570 7.7570 8.1271 8.1271 9.5716 9.5716 10.1100 10.1100 10.4132 10.4132 10.5671 10.5671 11.2183 11.2183 11.2636 11.2636 11.5549 11.5549 12.0393 12.0393 12.3676 12.3676 12.5419 12.5419 k = 0.0957 0.0553-0.0000 ( 3113 PWs) bands (ev): -52.5925 -52.5925 -52.5803 -52.5803 -27.0379 -27.0379 -27.0056 -27.0056 -26.2317 -26.2317 -26.2133 -26.2133 -26.1978 -26.1978 -26.1394 -26.1394 -1.9157 -1.9157 -0.0285 -0.0285 5.0470 5.0470 7.7370 7.7370 8.1192 8.1192 9.4563 9.4563 10.0668 10.0668 10.3615 10.3615 10.4821 10.4821 11.2309 11.2309 11.3071 11.3071 11.6030 11.6030 12.0686 12.0686 12.3672 12.3672 12.6050 12.6050 k = 0.1064 0.0614-0.0000 ( 3115 PWs) bands (ev): -52.5925 -52.5925 -52.5803 -52.5803 -27.0379 -27.0379 -27.0057 -27.0057 -26.2317 -26.2317 -26.2135 -26.2135 -26.1979 -26.1979 -26.1395 -26.1395 -1.8938 -1.8938 -0.0243 -0.0243 5.0748 5.0748 7.7136 7.7136 8.1119 8.1119 9.3352 9.3352 10.0122 10.0122 10.3206 10.3206 10.3988 10.3988 11.2450 11.2450 11.3476 11.3477 11.6503 11.6503 12.0887 12.0887 12.3667 12.3667 12.6776 12.6776 k = 0.1170 0.0676-0.0000 ( 3110 PWs) bands (ev): -52.5925 -52.5925 -52.5803 -52.5803 -27.0380 -27.0380 -27.0059 -27.0059 -26.2317 -26.2317 -26.2138 -26.2138 -26.1981 -26.1981 -26.1395 -26.1395 -1.8696 -1.8696 -0.0198 -0.0198 5.1054 5.1054 7.6865 7.6865 8.1053 8.1053 9.2095 9.2095 9.9481 9.9481 10.2816 10.2816 10.3249 10.3249 11.2603 11.2603 11.3851 11.3851 11.6968 11.6968 12.1014 12.1014 12.3660 12.3660 12.7574 12.7574 k = 0.1277 0.0737-0.0000 ( 3112 PWs) bands (ev): -52.5924 -52.5924 -52.5803 -52.5803 -27.0381 -27.0381 -27.0060 -27.0060 -26.2317 -26.2317 -26.2141 -26.2141 -26.1983 -26.1983 -26.1395 -26.1395 -1.8433 -1.8433 -0.0150 -0.0150 5.1388 5.1388 7.6557 7.6557 8.0996 8.0996 9.0801 9.0801 9.8778 9.8778 10.2162 10.2162 10.2856 10.2856 11.2770 11.2770 11.4194 11.4194 11.7418 11.7418 12.1086 12.1086 12.3653 12.3653 12.8419 12.8419 k = 0.1383 0.0798-0.0000 ( 3108 PWs) bands (ev): -52.5924 -52.5924 -52.5802 -52.5802 -27.0381 -27.0381 -27.0062 -27.0062 -26.2317 -26.2317 -26.2143 -26.2143 -26.1985 -26.1985 -26.1396 -26.1396 -1.8149 -1.8149 -0.0099 -0.0099 5.1749 5.1749 7.6211 7.6211 8.0949 8.0949 8.9482 8.9482 9.8040 9.8040 10.1373 10.1373 10.2661 10.2661 11.2950 11.2950 11.4511 11.4511 11.7850 11.7850 12.1117 12.1117 12.3646 12.3646 12.9292 12.9292 k = 0.1489 0.0860-0.0000 ( 3112 PWs) bands (ev): -52.5924 -52.5924 -52.5802 -52.5802 -27.0382 -27.0382 -27.0064 -27.0064 -26.2317 -26.2317 -26.2146 -26.2146 -26.1987 -26.1987 -26.1396 -26.1396 -1.7845 -1.7845 -0.0047 -0.0047 5.2137 5.2137 7.5825 7.5825 8.0910 8.0910 8.8148 8.8148 9.7285 9.7285 10.0574 10.0574 10.2517 10.2517 11.3142 11.3142 11.4804 11.4804 11.8259 11.8259 12.1119 12.1119 12.3638 12.3638 13.0175 13.0175 k = 0.1596 0.0921-0.0000 ( 3112 PWs) bands (ev): -52.5924 -52.5924 -52.5802 -52.5802 -27.0383 -27.0383 -27.0065 -27.0065 -26.2317 -26.2317 -26.2150 -26.2150 -26.1990 -26.1990 -26.1397 -26.1397 -1.7520 -1.7520 0.0008 0.0008 5.2551 5.2551 7.5399 7.5399 8.0881 8.0881 8.6810 8.6810 9.6527 9.6527 9.9785 9.9785 10.2395 10.2395 11.3345 11.3345 11.5077 11.5077 11.8638 11.8638 12.1098 12.1098 12.3630 12.3630 13.1052 13.1052 k = 0.1702 0.0983-0.0000 ( 3112 PWs) bands (ev): -52.5923 -52.5923 -52.5802 -52.5802 -27.0384 -27.0384 -27.0067 -27.0067 -26.2317 -26.2317 -26.2153 -26.2153 -26.1992 -26.1992 -26.1397 -26.1397 -1.7175 -1.7175 0.0063 0.0063 5.2990 5.2990 7.4932 7.4932 8.0859 8.0859 8.5479 8.5479 9.5770 9.5770 9.9012 9.9012 10.2284 10.2284 11.3559 11.3559 11.5336 11.5336 11.8985 11.8985 12.1061 12.1061 12.3623 12.3623 13.1901 13.1901 k = 0.1809 0.1044-0.0000 ( 3120 PWs) bands (ev): -52.5923 -52.5923 -52.5802 -52.5802 -27.0385 -27.0385 -27.0069 -27.0069 -26.2317 -26.2317 -26.2156 -26.2156 -26.1994 -26.1994 -26.1398 -26.1398 -1.6811 -1.6811 0.0120 0.0120 5.3455 5.3455 7.4419 7.4419 8.0844 8.0844 8.4169 8.4169 9.5021 9.5021 9.8256 9.8256 10.2177 10.2177 11.3783 11.3783 11.5581 11.5581 11.9294 11.9294 12.1012 12.1012 12.3616 12.3616 13.2692 13.2692 k = 0.1915 0.1106-0.0000 ( 3120 PWs) bands (ev): -52.5923 -52.5923 -52.5801 -52.5801 -27.0386 -27.0386 -27.0071 -27.0071 -26.2317 -26.2317 -26.2160 -26.2160 -26.1997 -26.1997 -26.1398 -26.1398 -1.6429 -1.6429 0.0176 0.0176 5.3943 5.3943 7.3858 7.3858 8.0831 8.0831 8.2894 8.2894 9.4280 9.4280 9.7519 9.7519 10.2070 10.2070 11.4017 11.4017 11.5817 11.5817 11.9562 11.9562 12.0954 12.0954 12.3609 12.3609 13.3369 13.3369 k = 0.2021 0.1167-0.0000 ( 3120 PWs) bands (ev): -52.5923 -52.5923 -52.5801 -52.5801 -27.0387 -27.0387 -27.0073 -27.0073 -26.2317 -26.2317 -26.2163 -26.2163 -26.2000 -26.2000 -26.1398 -26.1398 -1.6028 -1.6028 0.0231 0.0231 5.4455 5.4455 7.3244 7.3244 8.0802 8.0802 8.1686 8.1686 9.3550 9.3550 9.6802 9.6802 10.1961 10.1961 11.4260 11.4260 11.6044 11.6044 11.9786 11.9786 12.0893 12.0893 12.3604 12.3604 13.3843 13.3843 k = 0.2128 0.1228-0.0000 ( 3120 PWs) bands (ev): -52.5922 -52.5922 -52.5801 -52.5801 -27.0388 -27.0388 -27.0076 -27.0076 -26.2317 -26.2317 -26.2167 -26.2167 -26.2002 -26.2002 -26.1399 -26.1399 -1.5611 -1.5611 0.0286 0.0286 5.4989 5.4989 7.2570 7.2570 8.0370 8.0370 8.0945 8.0945 9.2832 9.2832 9.6105 9.6105 10.1848 10.1848 11.4510 11.4510 11.6263 11.6263 11.9964 11.9964 12.0832 12.0832 12.3600 12.3600 13.4053 13.4053 k = 0.2234 0.1290-0.0000 ( 3112 PWs) bands (ev): -52.5922 -52.5922 -52.5801 -52.5801 -27.0389 -27.0389 -27.0078 -27.0078 -26.2317 -26.2317 -26.2171 -26.2171 -26.2005 -26.2005 -26.1399 -26.1399 -1.5178 -1.5178 0.0339 0.0339 5.5543 5.5543 7.1832 7.1832 7.9320 7.9320 8.0896 8.0896 9.2125 9.2125 9.5430 9.5430 10.1729 10.1729 11.4767 11.4767 11.6476 11.6476 12.0091 12.0091 12.0776 12.0776 12.3597 12.3597 13.4040 13.4040 k = 0.2340 0.1351-0.0000 ( 3112 PWs) bands (ev): -52.5922 -52.5922 -52.5800 -52.5800 -27.0390 -27.0390 -27.0080 -27.0080 -26.2317 -26.2317 -26.2175 -26.2175 -26.2008 -26.2008 -26.1400 -26.1400 -1.4729 -1.4729 0.0388 0.0388 5.6118 5.6118 7.1026 7.1026 7.8304 7.8304 8.0899 8.0899 9.1430 9.1430 9.4776 9.4776 10.1604 10.1604 11.5030 11.5030 11.6681 11.6681 12.0162 12.0162 12.0734 12.0734 12.3596 12.3596 13.3887 13.3887 k = 0.2447 0.1413-0.0000 ( 3112 PWs) bands (ev): -52.5921 -52.5921 -52.5800 -52.5800 -27.0391 -27.0391 -27.0082 -27.0082 -26.2317 -26.2317 -26.2178 -26.2178 -26.2010 -26.2010 -26.1400 -26.1400 -1.4266 -1.4266 0.0435 0.0435 5.6710 5.6710 7.0153 7.0153 7.7369 7.7369 8.0912 8.0912 9.0748 9.0748 9.4145 9.4145 10.1472 10.1472 11.5298 11.5298 11.6880 11.6880 12.0178 12.0178 12.0707 12.0707 12.3596 12.3596 13.3651 13.3651 k = 0.2553 0.1474-0.0000 ( 3118 PWs) bands (ev): -52.5921 -52.5921 -52.5800 -52.5800 -27.0392 -27.0392 -27.0084 -27.0084 -26.2317 -26.2317 -26.2182 -26.2182 -26.2013 -26.2013 -26.1401 -26.1401 -1.3789 -1.3789 0.0477 0.0477 5.7318 5.7318 6.9221 6.9221 7.6520 7.6520 8.0928 8.0928 9.0076 9.0076 9.3536 9.3536 10.1332 10.1332 11.5569 11.5569 11.7071 11.7071 12.0147 12.0147 12.0690 12.0690 12.3599 12.3599 13.3355 13.3355 k = 0.2660 0.1536-0.0000 ( 3122 PWs) bands (ev): -52.5921 -52.5921 -52.5799 -52.5799 -27.0393 -27.0393 -27.0087 -27.0087 -26.2318 -26.2318 -26.2186 -26.2186 -26.2016 -26.2016 -26.1401 -26.1401 -1.3300 -1.3300 0.0514 0.0514 5.7939 5.7939 6.8240 6.8240 7.5754 7.5754 8.0947 8.0947 8.9416 8.9416 9.2951 9.2951 10.1185 10.1185 11.5842 11.5842 11.7254 11.7254 12.0085 12.0085 12.0671 12.0671 12.3604 12.3604 13.3015 13.3015 k = 0.2766 0.1597-0.0000 ( 3126 PWs) bands (ev): -52.5921 -52.5921 -52.5799 -52.5799 -27.0394 -27.0394 -27.0089 -27.0089 -26.2318 -26.2318 -26.2190 -26.2190 -26.2018 -26.2018 -26.1402 -26.1402 -1.2800 -1.2800 0.0545 0.0545 5.8567 5.8567 6.7227 6.7227 7.5065 7.5065 8.0967 8.0967 8.8767 8.8767 9.2389 9.2389 10.1032 10.1032 11.6116 11.6116 11.7427 11.7427 12.0004 12.0004 12.0642 12.0642 12.3612 12.3612 13.2635 13.2635 k = 0.2872 0.1658-0.0000 ( 3128 PWs) bands (ev): -52.5920 -52.5920 -52.5799 -52.5799 -27.0395 -27.0395 -27.0091 -27.0091 -26.2318 -26.2318 -26.2194 -26.2194 -26.2021 -26.2021 -26.1402 -26.1402 -1.2290 -1.2290 0.0569 0.0569 5.9194 5.9194 6.6204 6.6204 7.4443 7.4443 8.0987 8.0987 8.8128 8.8128 9.1851 9.1851 10.0872 10.0872 11.6389 11.6389 11.7589 11.7589 11.9911 11.9911 12.0599 12.0599 12.3623 12.3623 13.2220 13.2220 k = 0.2979 0.1720-0.0000 ( 3128 PWs) bands (ev): -52.5920 -52.5920 -52.5799 -52.5799 -27.0396 -27.0396 -27.0093 -27.0093 -26.2318 -26.2318 -26.2197 -26.2197 -26.2023 -26.2023 -26.1403 -26.1403 -1.1772 -1.1772 0.0584 0.0584 5.9804 5.9804 6.5201 6.5201 7.3880 7.3880 8.1007 8.1007 8.7499 8.7499 9.1338 9.1338 10.0707 10.0707 11.6661 11.6661 11.7740 11.7740 11.9811 11.9811 12.0541 12.0541 12.3637 12.3637 13.1771 13.1771 k = 0.3085 0.1781-0.0000 ( 3136 PWs) bands (ev): -52.5920 -52.5920 -52.5798 -52.5798 -27.0397 -27.0397 -27.0095 -27.0095 -26.2318 -26.2318 -26.2201 -26.2201 -26.2026 -26.2026 -26.1403 -26.1403 -1.1246 -1.1246 0.0591 0.0591 6.0355 6.0355 6.4268 6.4268 7.3369 7.3369 8.1025 8.1025 8.6880 8.6880 9.0850 9.0850 10.0537 10.0537 11.6928 11.6928 11.7877 11.7877 11.9706 11.9706 12.0470 12.0470 12.3655 12.3655 13.1294 13.1294 k = 0.3191 0.1843-0.0000 ( 3136 PWs) bands (ev): -52.5920 -52.5920 -52.5798 -52.5798 -27.0398 -27.0398 -27.0097 -27.0097 -26.2318 -26.2318 -26.2205 -26.2205 -26.2028 -26.2028 -26.1403 -26.1403 -1.0715 -1.0715 0.0587 0.0587 6.0729 6.0729 6.3532 6.3532 7.2904 7.2904 8.1041 8.1041 8.6270 8.6270 9.0386 9.0386 10.0363 10.0363 11.7189 11.7189 11.8001 11.8001 11.9599 11.9599 12.0388 12.0388 12.3676 12.3676 13.0795 13.0795 k = 0.3298 0.1904-0.0000 ( 3132 PWs) bands (ev): -52.5919 -52.5919 -52.5798 -52.5798 -27.0399 -27.0399 -27.0099 -27.0099 -26.2318 -26.2318 -26.2208 -26.2208 -26.2030 -26.2030 -26.1404 -26.1404 -1.0180 -1.0180 0.0572 0.0572 6.0667 6.0667 6.3261 6.3261 7.2481 7.2481 8.1053 8.1053 8.5669 8.5669 8.9948 8.9948 10.0187 10.0187 11.7443 11.7443 11.8109 11.8109 11.9492 11.9492 12.0297 12.0297 12.3702 12.3702 13.0279 13.0279 k = 0.3404 0.1965-0.0000 ( 3136 PWs) bands (ev): -52.5919 -52.5919 -52.5798 -52.5798 -27.0400 -27.0400 -27.0101 -27.0101 -26.2319 -26.2319 -26.2211 -26.2211 -26.2033 -26.2033 -26.1404 -26.1404 -0.9643 -0.9643 0.0545 0.0545 6.0100 6.0100 6.3527 6.3527 7.2099 7.2099 8.1059 8.1059 8.5077 8.5077 8.9536 8.9536 10.0011 10.0011 11.7688 11.7688 11.8200 11.8200 11.9385 11.9385 12.0200 12.0200 12.3731 12.3731 12.9752 12.9752 k = 0.3511 0.2027-0.0000 ( 3136 PWs) bands (ev): -52.5919 -52.5919 -52.5797 -52.5797 -27.0401 -27.0401 -27.0103 -27.0103 -26.2319 -26.2319 -26.2214 -26.2214 -26.2035 -26.2035 -26.1405 -26.1405 -0.9105 -0.9105 0.0505 0.0505 5.9307 5.9307 6.4055 6.4055 7.1757 7.1757 8.1057 8.1057 8.4497 8.4497 8.9150 8.9150 9.9835 9.9835 11.7921 11.7921 11.8272 11.8272 11.9282 11.9282 12.0099 12.0099 12.3765 12.3765 12.9223 12.9223 k = 0.3617 0.2088-0.0000 ( 3132 PWs) bands (ev): -52.5919 -52.5919 -52.5797 -52.5797 -27.0402 -27.0402 -27.0105 -27.0105 -26.2319 -26.2319 -26.2217 -26.2217 -26.2037 -26.2037 -26.1405 -26.1405 -0.8569 -0.8569 0.0449 0.0449 5.8459 5.8459 6.4674 6.4674 7.1458 7.1458 8.1041 8.1041 8.3931 8.3931 8.8789 8.8789 9.9661 9.9661 11.8137 11.8137 11.8327 11.8327 11.9187 11.9187 11.9997 11.9997 12.3803 12.3803 12.8698 12.8698 k = 0.3723 0.2150-0.0000 ( 3132 PWs) bands (ev): -52.5918 -52.5918 -52.5797 -52.5797 -27.0403 -27.0403 -27.0106 -27.0106 -26.2319 -26.2319 -26.2220 -26.2220 -26.2039 -26.2039 -26.1405 -26.1405 -0.8036 -0.8036 0.0379 0.0379 5.7618 5.7618 6.5320 6.5320 7.1205 7.1205 8.1002 8.1002 8.3388 8.3388 8.8455 8.8455 9.9492 9.9492 11.8292 11.8292 11.8402 11.8402 11.9104 11.9104 11.9896 11.9896 12.3844 12.3844 12.8185 12.8185 k = 0.3830 0.2211-0.0000 ( 3132 PWs) bands (ev): -52.5918 -52.5918 -52.5797 -52.5797 -27.0404 -27.0404 -27.0108 -27.0108 -26.2319 -26.2319 -26.2223 -26.2223 -26.2040 -26.2040 -26.1406 -26.1406 -0.7509 -0.7509 0.0292 0.0292 5.6810 5.6810 6.5961 6.5961 7.1007 7.1007 8.0922 8.0922 8.2883 8.2883 8.8148 8.8148 9.9329 9.9329 11.8310 11.8310 11.8568 11.8568 11.9040 11.9040 11.9797 11.9797 12.3888 12.3888 12.7690 12.7690 k = 0.3936 0.2273-0.0000 ( 3128 PWs) bands (ev): -52.5918 -52.5918 -52.5797 -52.5797 -27.0404 -27.0404 -27.0109 -27.0109 -26.2319 -26.2319 -26.2225 -26.2225 -26.2042 -26.2042 -26.1406 -26.1406 -0.6990 -0.6990 0.0187 0.0187 5.6048 5.6048 6.6572 6.6572 7.0879 7.0879 8.0773 8.0773 8.2445 8.2445 8.7867 8.7867 9.9172 9.9172 11.8273 11.8273 11.8738 11.8738 11.8999 11.8999 11.9705 11.9705 12.3934 12.3934 12.7221 12.7221 k = 0.4043 0.2334-0.0000 ( 3124 PWs) bands (ev): -52.5918 -52.5918 -52.5796 -52.5796 -27.0405 -27.0405 -27.0111 -27.0111 -26.2320 -26.2320 -26.2228 -26.2228 -26.2044 -26.2044 -26.1406 -26.1406 -0.6482 -0.6482 0.0065 0.0065 5.5340 5.5340 6.7121 6.7121 7.0844 7.0844 8.0513 8.0513 8.2112 8.2112 8.7612 8.7612 9.9026 9.9026 11.8206 11.8206 11.8881 11.8881 11.8987 11.8987 11.9620 11.9620 12.3982 12.3982 12.6783 12.6783 k = 0.4149 0.2395-0.0000 ( 3120 PWs) bands (ev): -52.5918 -52.5918 -52.5796 -52.5796 -27.0406 -27.0406 -27.0112 -27.0112 -26.2320 -26.2320 -26.2230 -26.2230 -26.2045 -26.2045 -26.1406 -26.1406 -0.5986 -0.5986 -0.0075 -0.0075 5.4693 5.4693 6.7574 6.7574 7.0933 7.0933 8.0128 8.0128 8.1898 8.1898 8.7385 8.7385 9.8890 9.8890 11.8119 11.8119 11.8932 11.8932 11.9060 11.9060 11.9546 11.9546 12.4030 12.4030 12.6382 12.6382 k = 0.4255 0.2457-0.0000 ( 3120 PWs) bands (ev): -52.5917 -52.5917 -52.5796 -52.5796 -27.0406 -27.0406 -27.0113 -27.0113 -26.2320 -26.2320 -26.2232 -26.2232 -26.2046 -26.2046 -26.1406 -26.1406 -0.5507 -0.5507 -0.0233 -0.0233 5.4111 5.4111 6.7903 6.7903 7.1170 7.1170 7.9645 7.9645 8.1776 8.1776 8.7184 8.7184 9.8766 9.8766 11.8021 11.8021 11.8932 11.8932 11.9165 11.9165 11.9489 11.9489 12.4077 12.4077 12.6022 12.6022 k = 0.4362 0.2518-0.0000 ( 3120 PWs) bands (ev): -52.5917 -52.5917 -52.5796 -52.5796 -27.0407 -27.0407 -27.0114 -27.0114 -26.2320 -26.2320 -26.2233 -26.2233 -26.2047 -26.2047 -26.1407 -26.1407 -0.5048 -0.5048 -0.0407 -0.0407 5.3599 5.3599 6.8104 6.8104 7.1555 7.1555 7.9100 7.9100 8.1707 8.1707 8.7010 8.7010 9.8656 9.8656 11.7922 11.7922 11.8929 11.8929 11.9238 11.9238 11.9464 11.9464 12.4121 12.4121 12.5707 12.5707 k = 0.4468 0.2580-0.0000 ( 3130 PWs) bands (ev): -52.5917 -52.5917 -52.5796 -52.5796 -27.0407 -27.0407 -27.0115 -27.0115 -26.2320 -26.2320 -26.2235 -26.2235 -26.2048 -26.2048 -26.1407 -26.1407 -0.4614 -0.4614 -0.0597 -0.0597 5.3160 5.3160 6.8208 6.8208 7.2055 7.2055 7.8519 7.8519 8.1668 8.1668 8.6862 8.6862 9.8560 9.8560 11.7826 11.7826 11.8924 11.8924 11.9258 11.9258 11.9485 11.9485 12.4161 12.4161 12.5439 12.5439 k = 0.4574 0.2641-0.0000 ( 3134 PWs) bands (ev): -52.5917 -52.5917 -52.5796 -52.5796 -27.0407 -27.0407 -27.0115 -27.0115 -26.2320 -26.2320 -26.2236 -26.2236 -26.2049 -26.2049 -26.1407 -26.1407 -0.4211 -0.4211 -0.0796 -0.0796 5.2797 5.2797 6.8251 6.8251 7.2630 7.2630 7.7915 7.7915 8.1645 8.1645 8.6742 8.6742 9.8481 9.8481 11.7740 11.7740 11.8918 11.8918 11.9246 11.9246 11.9533 11.9533 12.4196 12.4196 12.5219 12.5219 k = 0.4681 0.2702-0.0000 ( 3138 PWs) bands (ev): -52.5917 -52.5917 -52.5796 -52.5796 -27.0407 -27.0407 -27.0116 -27.0116 -26.2320 -26.2320 -26.2237 -26.2237 -26.2049 -26.2049 -26.1407 -26.1407 -0.3850 -0.3850 -0.0996 -0.0996 5.2512 5.2512 6.8262 6.8262 7.3245 7.3245 7.7297 7.7297 8.1631 8.1631 8.6648 8.6648 9.8418 9.8418 11.7668 11.7668 11.8912 11.8912 11.9228 11.9228 11.9581 11.9581 12.4224 12.4224 12.5048 12.5048 k = 0.4787 0.2764-0.0000 ( 3138 PWs) bands (ev): -52.5917 -52.5917 -52.5796 -52.5796 -27.0408 -27.0408 -27.0116 -27.0116 -26.2320 -26.2320 -26.2237 -26.2237 -26.2050 -26.2050 -26.1407 -26.1407 -0.3550 -0.3550 -0.1180 -0.1180 5.2307 5.2307 6.8259 6.8259 7.3873 7.3873 7.6677 7.6677 8.1623 8.1623 8.6581 8.6581 9.8373 9.8373 11.7614 11.7614 11.8906 11.8906 11.9214 11.9214 11.9618 11.9618 12.4244 12.4244 12.4927 12.4927 k = 0.4894 0.2825-0.0000 ( 3138 PWs) bands (ev): -52.5917 -52.5917 -52.5796 -52.5796 -27.0408 -27.0408 -27.0116 -27.0116 -26.2320 -26.2320 -26.2238 -26.2238 -26.2050 -26.2050 -26.1407 -26.1407 -0.3341 -0.3341 -0.1319 -0.1319 5.2184 5.2184 6.8254 6.8254 7.4471 7.4471 7.6087 7.6087 8.1618 8.1618 8.6541 8.6541 9.8346 9.8346 11.7580 11.7580 11.8902 11.8902 11.9205 11.9205 11.9640 11.9640 12.4255 12.4255 12.4855 12.4855 k = 0.5000 0.2887-0.0000 ( 3142 PWs) bands (ev): -52.5917 -52.5917 -52.5796 -52.5796 -27.0408 -27.0408 -27.0116 -27.0116 -26.2320 -26.2320 -26.2238 -26.2238 -26.2050 -26.2050 -26.1407 -26.1407 -0.3264 -0.3264 -0.1372 -0.1372 5.2143 5.2143 6.8252 6.8252 7.4821 7.4821 7.5740 7.5740 8.1617 8.1617 8.6528 8.6528 9.8336 9.8336 11.7568 11.7568 11.8900 11.8900 11.9202 11.9202 11.9648 11.9648 12.4259 12.4259 12.4831 12.4831 k = 0.5000 0.2887-0.0000 ( 3142 PWs) bands (ev): -52.5917 -52.5917 -52.5796 -52.5796 -27.0408 -27.0408 -27.0116 -27.0116 -26.2320 -26.2320 -26.2238 -26.2238 -26.2050 -26.2050 -26.1407 -26.1407 -0.3264 -0.3264 -0.1372 -0.1372 5.2143 5.2143 6.8252 6.8252 7.4821 7.4821 7.5740 7.5740 8.1617 8.1617 8.6528 8.6528 9.8336 9.8336 11.7568 11.7568 11.8900 11.8900 11.9202 11.9202 11.9648 11.9648 12.4259 12.4259 12.4831 12.4831 k = 0.4938 0.2994-0.0000 ( 3142 PWs) bands (ev): -52.5917 -52.5917 -52.5796 -52.5796 -27.0408 -27.0408 -27.0117 -27.0117 -26.2320 -26.2320 -26.2238 -26.2238 -26.2050 -26.2050 -26.1407 -26.1407 -0.3260 -0.3260 -0.1368 -0.1368 5.2153 5.2153 6.8245 6.8245 7.4818 7.4818 7.5749 7.5749 8.1619 8.1619 8.6388 8.6388 9.8456 9.8456 11.7573 11.7573 11.8899 11.8899 11.9201 11.9201 11.9658 11.9658 12.4255 12.4255 12.4825 12.4825 k = 0.4877 0.3101-0.0000 ( 3134 PWs) bands (ev): -52.5917 -52.5917 -52.5796 -52.5796 -27.0408 -27.0408 -27.0117 -27.0117 -26.2320 -26.2320 -26.2238 -26.2238 -26.2050 -26.2050 -26.1407 -26.1407 -0.3247 -0.3247 -0.1356 -0.1356 5.2183 5.2183 6.8224 6.8224 7.4810 7.4810 7.5775 7.5775 8.1624 8.1624 8.5988 8.5988 9.8796 9.8796 11.7585 11.7585 11.8897 11.8897 11.9198 11.9198 11.9691 11.9691 12.4243 12.4243 12.4805 12.4805 k = 0.4815 0.3208-0.0000 ( 3140 PWs) bands (ev): -52.5917 -52.5917 -52.5796 -52.5796 -27.0408 -27.0408 -27.0117 -27.0117 -26.2320 -26.2320 -26.2238 -26.2238 -26.2051 -26.2051 -26.1407 -26.1407 -0.3226 -0.3226 -0.1335 -0.1335 5.2232 5.2232 6.8189 6.8189 7.4798 7.4798 7.5818 7.5818 8.1631 8.1631 8.5372 8.5372 9.9314 9.9314 11.7606 11.7606 11.8892 11.8892 11.9192 11.9192 11.9744 11.9744 12.4223 12.4223 12.4772 12.4772 k = 0.4753 0.3314-0.0000 ( 3140 PWs) bands (ev): -52.5917 -52.5917 -52.5796 -52.5796 -27.0408 -27.0408 -27.0117 -27.0117 -26.2320 -26.2320 -26.2238 -26.2238 -26.2051 -26.2051 -26.1407 -26.1407 -0.3196 -0.3196 -0.1306 -0.1306 5.2301 5.2301 6.8139 6.8139 7.4781 7.4781 7.5876 7.5876 8.1639 8.1639 8.4594 8.4594 9.9958 9.9958 11.7636 11.7636 11.8883 11.8883 11.9184 11.9184 11.9820 11.9820 12.4197 12.4197 12.4725 12.4725 k = 0.4691 0.3421-0.0000 ( 3136 PWs) bands (ev): -52.5917 -52.5917 -52.5796 -52.5796 -27.0408 -27.0408 -27.0117 -27.0117 -26.2320 -26.2320 -26.2239 -26.2239 -26.2051 -26.2051 -26.1407 -26.1407 -0.3158 -0.3158 -0.1269 -0.1269 5.2388 5.2388 6.8076 6.8076 7.4760 7.4760 7.5948 7.5948 8.1644 8.1644 8.3707 8.3707 10.0682 10.0682 11.7673 11.7673 11.8870 11.8870 11.9173 11.9173 11.9918 11.9918 12.4164 12.4164 12.4665 12.4665 k = 0.4630 0.3528-0.0000 ( 3136 PWs) bands (ev): -52.5917 -52.5917 -52.5796 -52.5796 -27.0408 -27.0408 -27.0117 -27.0117 -26.2320 -26.2320 -26.2239 -26.2239 -26.2052 -26.2052 -26.1408 -26.1408 -0.3112 -0.3112 -0.1226 -0.1226 5.2495 5.2495 6.7999 6.7999 7.4733 7.4733 7.6032 7.6032 8.1629 8.1629 8.2768 8.2768 10.1449 10.1449 11.7718 11.7718 11.8851 11.8851 11.9160 11.9160 12.0037 12.0037 12.4125 12.4125 12.4592 12.4592 k = 0.4568 0.3635-0.0000 ( 3136 PWs) bands (ev): -52.5917 -52.5917 -52.5796 -52.5796 -27.0408 -27.0408 -27.0118 -27.0118 -26.2319 -26.2319 -26.2240 -26.2240 -26.2052 -26.2052 -26.1408 -26.1408 -0.3057 -0.3057 -0.1176 -0.1176 5.2619 5.2619 6.7908 6.7908 7.4699 7.4699 7.6127 7.6127 8.1422 8.1422 8.1979 8.1979 10.2234 10.2234 11.7770 11.7770 11.8826 11.8826 11.9145 11.9145 12.0175 12.0175 12.4083 12.4083 12.4506 12.4506 k = 0.4506 0.3742-0.0000 ( 3128 PWs) bands (ev): -52.5917 -52.5917 -52.5795 -52.5795 -27.0409 -27.0409 -27.0118 -27.0118 -26.2319 -26.2319 -26.2240 -26.2240 -26.2053 -26.2053 -26.1408 -26.1408 -0.2995 -0.2995 -0.1120 -0.1120 5.2760 5.2760 6.7804 6.7804 7.4654 7.4654 7.6230 7.6230 8.0581 8.0581 8.1809 8.1809 10.3018 10.3018 11.7828 11.7828 11.8793 11.8793 11.9128 11.9128 12.0331 12.0331 12.4038 12.4038 12.4408 12.4408 k = 0.4444 0.3849-0.0000 ( 3126 PWs) bands (ev): -52.5917 -52.5917 -52.5795 -52.5795 -27.0409 -27.0409 -27.0118 -27.0118 -26.2319 -26.2319 -26.2241 -26.2241 -26.2054 -26.2054 -26.1408 -26.1408 -0.2926 -0.2926 -0.1060 -0.1060 5.2918 5.2918 6.7685 6.7685 7.4588 7.4588 7.6340 7.6340 7.9593 7.9593 8.1800 8.1800 10.3786 10.3786 11.7891 11.7891 11.8756 11.8756 11.9108 11.9108 12.0502 12.0502 12.3993 12.3993 12.4298 12.4298 k = 0.4383 0.3956-0.0000 ( 3130 PWs) bands (ev): -52.5917 -52.5917 -52.5795 -52.5795 -27.0409 -27.0409 -27.0119 -27.0119 -26.2319 -26.2319 -26.2241 -26.2241 -26.2055 -26.2055 -26.1408 -26.1408 -0.2849 -0.2849 -0.0996 -0.0996 5.3090 5.3090 6.7553 6.7553 7.4486 7.4486 7.6452 7.6452 7.8632 7.8632 8.1810 8.1810 10.4529 10.4529 11.7956 11.7956 11.8714 11.8714 11.9085 11.9085 12.0683 12.0683 12.3945 12.3945 12.4183 12.4183 k = 0.4321 0.4063-0.0000 ( 3128 PWs) bands (ev): -52.5917 -52.5917 -52.5795 -52.5795 -27.0409 -27.0409 -27.0119 -27.0119 -26.2318 -26.2318 -26.2242 -26.2242 -26.2055 -26.2055 -26.1408 -26.1408 -0.2765 -0.2765 -0.0930 -0.0930 5.3277 5.3277 6.7406 6.7406 7.4318 7.4318 7.6556 7.6556 7.7764 7.7764 8.1824 8.1824 10.5241 10.5241 11.8021 11.8021 11.8673 11.8673 11.9058 11.9058 12.0871 12.0871 12.3884 12.3884 12.4078 12.4078 k = 0.4259 0.4170-0.0000 ( 3128 PWs) bands (ev): -52.5917 -52.5917 -52.5795 -52.5795 -27.0409 -27.0409 -27.0120 -27.0120 -26.2318 -26.2318 -26.2243 -26.2243 -26.2056 -26.2056 -26.1409 -26.1409 -0.2674 -0.2674 -0.0862 -0.0862 5.3475 5.3475 6.7243 6.7243 7.4034 7.4034 7.6595 7.6595 7.7108 7.7108 8.1838 8.1838 10.5918 10.5918 11.8078 11.8078 11.8638 11.8638 11.9027 11.9027 12.1057 12.1057 12.3780 12.3780 12.4021 12.4021 k = 0.4198 0.4277-0.0000 ( 3124 PWs) bands (ev): -52.5916 -52.5916 -52.5795 -52.5795 -27.0409 -27.0409 -27.0120 -27.0120 -26.2318 -26.2318 -26.2244 -26.2244 -26.2057 -26.2057 -26.1409 -26.1409 -0.2577 -0.2577 -0.0794 -0.0794 5.3683 5.3683 6.7065 6.7065 7.3587 7.3587 7.6342 7.6342 7.6949 7.6949 8.1851 8.1851 10.6557 10.6557 11.8117 11.8117 11.8619 11.8619 11.8994 11.8994 12.1233 12.1233 12.3631 12.3631 12.4023 12.4023 k = 0.4136 0.4384-0.0000 ( 3116 PWs) bands (ev): -52.5916 -52.5916 -52.5795 -52.5795 -27.0410 -27.0410 -27.0120 -27.0120 -26.2318 -26.2318 -26.2244 -26.2244 -26.2058 -26.2058 -26.1409 -26.1409 -0.2474 -0.2474 -0.0727 -0.0727 5.3899 5.3899 6.6869 6.6869 7.2983 7.2983 7.6056 7.6056 7.7031 7.7031 8.1861 8.1861 10.7155 10.7155 11.8125 11.8125 11.8623 11.8623 11.8964 11.8964 12.1389 12.1389 12.3456 12.3456 12.4077 12.4077 k = 0.4074 0.4491-0.0000 ( 3120 PWs) bands (ev): -52.5916 -52.5916 -52.5795 -52.5795 -27.0410 -27.0410 -27.0121 -27.0121 -26.2317 -26.2317 -26.2245 -26.2245 -26.2059 -26.2059 -26.1409 -26.1409 -0.2366 -0.2366 -0.0664 -0.0664 5.4120 5.4120 6.6653 6.6653 7.2288 7.2288 7.5895 7.5895 7.7141 7.7141 8.1868 8.1868 10.7712 10.7712 11.8101 11.8101 11.8641 11.8641 11.8949 11.8949 12.1513 12.1513 12.3264 12.3264 12.4186 12.4186 k = 0.4012 0.4597-0.0000 ( 3106 PWs) bands (ev): -52.5916 -52.5916 -52.5795 -52.5795 -27.0410 -27.0410 -27.0121 -27.0121 -26.2317 -26.2317 -26.2246 -26.2246 -26.2060 -26.2060 -26.1409 -26.1409 -0.2252 -0.2252 -0.0605 -0.0605 5.4342 5.4342 6.6417 6.6417 7.1572 7.1572 7.5823 7.5823 7.7252 7.7252 8.1872 8.1872 10.8229 10.8229 11.8052 11.8052 11.8644 11.8644 11.8974 11.8974 12.1599 12.1599 12.3057 12.3057 12.4354 12.4354 k = 0.3951 0.4704-0.0000 ( 3118 PWs) bands (ev): -52.5916 -52.5916 -52.5795 -52.5795 -27.0410 -27.0410 -27.0122 -27.0122 -26.2317 -26.2317 -26.2247 -26.2247 -26.2061 -26.2061 -26.1410 -26.1410 -0.2134 -0.2134 -0.0553 -0.0553 5.4563 5.4563 6.6158 6.6158 7.0884 7.0884 7.5805 7.5805 7.7357 7.7357 8.1871 8.1871 10.8704 10.8704 11.7987 11.7987 11.8615 11.8615 11.9047 11.9047 12.1643 12.1643 12.2840 12.2840 12.4583 12.4583 k = 0.3889 0.4811-0.0000 ( 3118 PWs) bands (ev): -52.5916 -52.5916 -52.5795 -52.5795 -27.0411 -27.0411 -27.0122 -27.0122 -26.2317 -26.2317 -26.2247 -26.2247 -26.2061 -26.2061 -26.1410 -26.1410 -0.2012 -0.2012 -0.0510 -0.0510 5.4776 5.4776 6.5878 6.5878 7.0253 7.0253 7.5824 7.5824 7.7453 7.7453 8.1867 8.1867 10.9137 10.9137 11.7914 11.7914 11.8562 11.8562 11.9155 11.9155 12.1649 12.1649 12.2614 12.2614 12.4870 12.4870 k = 0.3827 0.4918-0.0000 ( 3118 PWs) bands (ev): -52.5916 -52.5916 -52.5795 -52.5795 -27.0411 -27.0411 -27.0123 -27.0123 -26.2316 -26.2316 -26.2248 -26.2248 -26.2062 -26.2062 -26.1410 -26.1410 -0.1886 -0.1886 -0.0476 -0.0476 5.4977 5.4977 6.5583 6.5583 6.9695 6.9695 7.5867 7.5867 7.7536 7.7536 8.1859 8.1859 10.9529 10.9529 11.7838 11.7838 11.8498 11.8498 11.9286 11.9286 12.1623 12.1623 12.2382 12.2382 12.5208 12.5208 k = 0.3765 0.5025-0.0000 ( 3122 PWs) bands (ev): -52.5916 -52.5916 -52.5795 -52.5795 -27.0411 -27.0411 -27.0123 -27.0123 -26.2316 -26.2316 -26.2249 -26.2249 -26.2063 -26.2063 -26.1410 -26.1410 -0.1758 -0.1758 -0.0456 -0.0456 5.5162 5.5162 6.5280 6.5280 6.9217 6.9217 7.5929 7.5929 7.7604 7.7604 8.1847 8.1847 10.9878 10.9878 11.7761 11.7761 11.8430 11.8430 11.9432 11.9432 12.1571 12.1571 12.2148 12.2148 12.5590 12.5590 k = 0.3704 0.5132-0.0000 ( 3120 PWs) bands (ev): -52.5916 -52.5916 -52.5795 -52.5795 -27.0411 -27.0411 -27.0123 -27.0123 -26.2316 -26.2316 -26.2249 -26.2249 -26.2064 -26.2064 -26.1410 -26.1410 -0.1626 -0.1626 -0.0449 -0.0449 5.5324 5.5324 6.4984 6.4984 6.8819 6.8819 7.6006 7.6006 7.7655 7.7655 8.1831 8.1831 11.0185 11.0185 11.7687 11.7687 11.8362 11.8362 11.9590 11.9590 12.1501 12.1501 12.1915 12.1915 12.6009 12.6009 k = 0.3642 0.5239-0.0000 ( 3124 PWs) bands (ev): -52.5916 -52.5916 -52.5795 -52.5795 -27.0411 -27.0411 -27.0124 -27.0124 -26.2316 -26.2316 -26.2250 -26.2250 -26.2064 -26.2064 -26.1410 -26.1410 -0.1493 -0.1493 -0.0459 -0.0459 5.5458 5.5458 6.4711 6.4711 6.8496 6.8496 7.6093 7.6093 7.7687 7.7687 8.1813 8.1813 11.0447 11.0447 11.7617 11.7617 11.8299 11.8299 11.9759 11.9759 12.1415 12.1415 12.1689 12.1689 12.6461 12.6461 k = 0.3580 0.5346-0.0000 ( 3128 PWs) bands (ev): -52.5916 -52.5916 -52.5795 -52.5795 -27.0411 -27.0411 -27.0124 -27.0124 -26.2316 -26.2316 -26.2250 -26.2250 -26.2065 -26.2065 -26.1410 -26.1410 -0.1359 -0.1359 -0.0487 -0.0487 5.5562 5.5562 6.4475 6.4475 6.8240 6.8240 7.6188 7.6188 7.7699 7.7699 8.1794 8.1794 11.0665 11.0665 11.7554 11.7554 11.8243 11.8243 11.9937 11.9937 12.1314 12.1314 12.1479 12.1479 12.6941 12.6941 k = 0.3519 0.5453-0.0000 ( 3132 PWs) bands (ev): -52.5916 -52.5916 -52.5795 -52.5795 -27.0412 -27.0412 -27.0124 -27.0124 -26.2315 -26.2315 -26.2251 -26.2251 -26.2065 -26.2065 -26.1411 -26.1411 -0.1224 -0.1224 -0.0535 -0.0535 5.5635 5.5635 6.4290 6.4290 6.8047 6.8047 7.6284 7.6284 7.7692 7.7692 8.1774 8.1774 11.0835 11.0835 11.7501 11.7501 11.8197 11.8197 12.0123 12.0123 12.1187 12.1187 12.1305 12.1305 12.7443 12.7443 k = 0.3457 0.5560-0.0000 ( 3136 PWs) bands (ev): -52.5916 -52.5916 -52.5795 -52.5795 -27.0412 -27.0412 -27.0124 -27.0124 -26.2315 -26.2315 -26.2251 -26.2251 -26.2065 -26.2065 -26.1411 -26.1411 -0.1090 -0.1090 -0.0605 -0.0605 5.5678 5.5678 6.4161 6.4161 6.7910 6.7910 7.6375 7.6375 7.7669 7.7669 8.1757 8.1757 11.0958 11.0958 11.7461 11.7461 11.8162 11.8162 12.0315 12.0315 12.1032 12.1032 12.1178 12.1178 12.7965 12.7965 k = 0.3395 0.5667-0.0000 ( 3138 PWs) bands (ev): -52.5916 -52.5916 -52.5795 -52.5795 -27.0412 -27.0412 -27.0124 -27.0124 -26.2315 -26.2315 -26.2251 -26.2251 -26.2066 -26.2066 -26.1411 -26.1411 -0.0956 -0.0956 -0.0698 -0.0698 5.5698 5.5698 6.4087 6.4087 6.7828 6.7828 7.6445 7.6445 7.7642 7.7642 8.1745 8.1745 11.1031 11.1031 11.7436 11.7436 11.8140 11.8140 12.0497 12.0497 12.0891 12.0891 12.1079 12.1079 12.8495 12.8495 k = 0.3333 0.5774-0.0000 ( 3138 PWs) bands (ev): -52.5916 -52.5916 -52.5795 -52.5795 -27.0412 -27.0412 -27.0124 -27.0124 -26.2315 -26.2315 -26.2251 -26.2251 -26.2066 -26.2066 -26.1411 -26.1411 -0.0847 -0.0847 -0.0793 -0.0793 5.5702 5.5702 6.4065 6.4065 6.7801 6.7801 7.6475 7.6475 7.7627 7.7627 8.1740 8.1740 11.1056 11.1056 11.7427 11.7427 11.8133 11.8133 12.0592 12.0592 12.0833 12.0833 12.1022 12.1022 12.8890 12.8890 k = 0.3333 0.5774-0.0000 ( 3138 PWs) bands (ev): -52.5916 -52.5916 -52.5795 -52.5795 -27.0412 -27.0412 -27.0124 -27.0124 -26.2315 -26.2315 -26.2251 -26.2251 -26.2066 -26.2066 -26.1411 -26.1411 -0.0847 -0.0847 -0.0793 -0.0793 5.5702 5.5702 6.4065 6.4065 6.7801 6.7801 7.6475 7.6475 7.7627 7.7627 8.1740 8.1740 11.1056 11.1056 11.7427 11.7427 11.8133 11.8133 12.0592 12.0592 12.0833 12.0833 12.1022 12.1022 12.8890 12.8890 k = 0.3272 0.5667-0.0000 ( 3138 PWs) bands (ev): -52.5916 -52.5916 -52.5795 -52.5795 -27.0412 -27.0412 -27.0124 -27.0124 -26.2315 -26.2315 -26.2251 -26.2251 -26.2066 -26.2066 -26.1411 -26.1411 -0.0969 -0.0969 -0.0686 -0.0686 5.5701 5.5701 6.4084 6.4084 6.7829 6.7829 7.6437 7.6437 7.7649 7.7649 8.1746 8.1746 11.1032 11.1032 11.7436 11.7436 11.8140 11.8140 12.0535 12.0535 12.0806 12.0806 12.1127 12.1127 12.8501 12.8501 k = 0.3210 0.5560-0.0000 ( 3134 PWs) bands (ev): -52.5916 -52.5916 -52.5795 -52.5795 -27.0412 -27.0412 -27.0124 -27.0124 -26.2315 -26.2315 -26.2251 -26.2251 -26.2065 -26.2065 -26.1411 -26.1411 -0.1141 -0.1141 -0.0559 -0.0559 5.5707 5.5707 6.4133 6.4133 6.7913 6.7913 7.6314 7.6314 7.7723 7.7723 8.1766 8.1766 11.0961 11.0961 11.7462 11.7462 11.8163 11.8163 12.0454 12.0454 12.0729 12.0729 12.1353 12.1353 12.7987 12.7987 k = 0.3148 0.5453-0.0000 ( 3132 PWs) bands (ev): -52.5916 -52.5916 -52.5795 -52.5795 -27.0412 -27.0412 -27.0124 -27.0124 -26.2315 -26.2315 -26.2250 -26.2250 -26.2065 -26.2065 -26.1411 -26.1411 -0.1342 -0.1342 -0.0433 -0.0433 5.5730 5.5730 6.4202 6.4202 6.8055 6.8055 7.6107 7.6107 7.7847 7.7847 8.1802 8.1802 11.0848 11.0848 11.7505 11.7505 11.8200 11.8200 12.0389 12.0389 12.0646 12.0646 12.1620 12.1620 12.7488 12.7488 k = 0.3086 0.5346-0.0000 ( 3124 PWs) bands (ev): -52.5916 -52.5916 -52.5795 -52.5795 -27.0411 -27.0411 -27.0124 -27.0124 -26.2316 -26.2316 -26.2250 -26.2250 -26.2065 -26.2065 -26.1410 -26.1410 -0.1572 -0.1572 -0.0312 -0.0312 5.5781 5.5781 6.4281 6.4281 6.8253 6.8253 7.5828 7.5828 7.8010 7.8010 8.1859 8.1859 11.0695 11.0695 11.7562 11.7562 11.8252 11.8252 12.0343 12.0343 12.0567 12.0567 12.1913 12.1913 12.7010 12.7010 k = 0.3025 0.5239-0.0000 ( 3124 PWs) bands (ev): -52.5916 -52.5916 -52.5795 -52.5795 -27.0411 -27.0411 -27.0123 -27.0123 -26.2316 -26.2316 -26.2249 -26.2249 -26.2064 -26.2064 -26.1410 -26.1410 -0.1831 -0.1831 -0.0194 -0.0194 5.5868 5.5868 6.4365 6.4365 6.8504 6.8504 7.5489 7.5489 7.8201 7.8201 8.1937 8.1937 11.0506 11.0506 11.7632 11.7632 11.8316 11.8316 12.0311 12.0311 12.0500 12.0500 12.2230 12.2230 12.6556 12.6556 k = 0.2963 0.5132-0.0000 ( 3124 PWs) bands (ev): -52.5916 -52.5916 -52.5795 -52.5795 -27.0411 -27.0411 -27.0123 -27.0123 -26.2316 -26.2316 -26.2249 -26.2249 -26.2063 -26.2063 -26.1410 -26.1410 -0.2118 -0.2118 -0.0081 -0.0081 5.5997 5.5997 6.4450 6.4450 6.8802 6.8802 7.5101 7.5101 7.8414 7.8414 8.2038 8.2038 11.0287 11.0287 11.7712 11.7712 11.8394 11.8394 12.0283 12.0283 12.0453 12.0453 12.2568 12.2568 12.6127 12.6127 k = 0.2901 0.5025-0.0000 ( 3128 PWs) bands (ev): -52.5916 -52.5916 -52.5795 -52.5795 -27.0411 -27.0411 -27.0122 -27.0122 -26.2316 -26.2316 -26.2248 -26.2248 -26.2062 -26.2062 -26.1410 -26.1410 -0.2434 -0.2434 0.0026 0.0026 5.6175 5.6175 6.4534 6.4534 6.9138 6.9138 7.4672 7.4672 7.8645 7.8645 8.2165 8.2165 11.0041 11.0041 11.7802 11.7802 11.8481 11.8481 12.0245 12.0245 12.0435 12.0435 12.2926 12.2926 12.5728 12.5728 k = 0.2840 0.4918-0.0000 ( 3124 PWs) bands (ev): -52.5916 -52.5916 -52.5795 -52.5795 -27.0410 -27.0410 -27.0122 -27.0122 -26.2316 -26.2316 -26.2246 -26.2246 -26.2061 -26.2061 -26.1410 -26.1410 -0.2777 -0.2777 0.0128 0.0128 5.6405 5.6405 6.4619 6.4619 6.9499 6.9499 7.4216 7.4216 7.8891 7.8891 8.2318 8.2318 10.9773 10.9773 11.7899 11.7899 11.8577 11.8577 12.0198 12.0198 12.0442 12.0442 12.3291 12.3291 12.5370 12.5370 k = 0.2778 0.4811-0.0000 ( 3128 PWs) bands (ev): -52.5916 -52.5916 -52.5795 -52.5795 -27.0410 -27.0410 -27.0121 -27.0121 -26.2316 -26.2316 -26.2245 -26.2245 -26.2060 -26.2060 -26.1410 -26.1410 -0.3146 -0.3146 0.0223 0.0223 5.6691 5.6691 6.4704 6.4704 6.9870 6.9870 7.3749 7.3749 7.9152 7.9152 8.2497 8.2497 10.9486 10.9486 11.8002 11.8002 11.8679 11.8679 12.0149 12.0149 12.0460 12.0460 12.3630 12.3630 12.5089 12.5089 k = 0.2716 0.4704-0.0000 ( 3134 PWs) bands (ev): -52.5917 -52.5917 -52.5795 -52.5795 -27.0410 -27.0410 -27.0120 -27.0120 -26.2316 -26.2316 -26.2244 -26.2244 -26.2059 -26.2059 -26.1409 -26.1409 -0.3541 -0.3541 0.0311 0.0311 5.7034 5.7034 6.4790 6.4790 7.0219 7.0219 7.3302 7.3302 7.9426 7.9426 8.2704 8.2704 10.9185 10.9185 11.8110 11.8110 11.8786 11.8786 12.0102 12.0102 12.0479 12.0479 12.3843 12.3843 12.4986 12.4986 k = 0.2654 0.4597-0.0000 ( 3128 PWs) bands (ev): -52.5917 -52.5917 -52.5795 -52.5795 -27.0409 -27.0409 -27.0119 -27.0119 -26.2316 -26.2316 -26.2242 -26.2242 -26.2058 -26.2058 -26.1409 -26.1409 -0.3958 -0.3958 0.0392 0.0392 5.7436 5.7436 6.4876 6.4876 7.0487 7.0487 7.2936 7.2936 7.9714 7.9714 8.2939 8.2939 10.8874 10.8874 11.8222 11.8222 11.8894 11.8894 12.0061 12.0061 12.0487 12.0487 12.3814 12.3814 12.5181 12.5181 k = 0.2593 0.4491-0.0000 ( 3128 PWs) bands (ev): -52.5917 -52.5917 -52.5795 -52.5795 -27.0409 -27.0409 -27.0118 -27.0118 -26.2317 -26.2317 -26.2240 -26.2240 -26.2056 -26.2056 -26.1409 -26.1409 -0.4398 -0.4398 0.0466 0.0466 5.7897 5.7897 6.4959 6.4959 7.0572 7.0572 7.2758 7.2758 8.0015 8.0015 8.3202 8.3202 10.8555 10.8555 11.8337 11.8337 11.9002 11.9002 12.0026 12.0026 12.0477 12.0477 12.3635 12.3635 12.5582 12.5582 k = 0.2531 0.4384-0.0000 ( 3128 PWs) bands (ev): -52.5917 -52.5917 -52.5796 -52.5796 -27.0408 -27.0408 -27.0117 -27.0117 -26.2317 -26.2317 -26.2238 -26.2238 -26.2055 -26.2055 -26.1409 -26.1409 -0.4857 -0.4857 0.0532 0.0532 5.8416 5.8416 6.5034 6.5034 7.0398 7.0398 7.2848 7.2848 8.0329 8.0329 8.3492 8.3492 10.8231 10.8231 11.8453 11.8453 11.9107 11.9107 11.9996 11.9996 12.0438 12.0438 12.3428 12.3428 12.6071 12.6071 k = 0.2469 0.4277-0.0000 ( 3132 PWs) bands (ev): -52.5917 -52.5917 -52.5796 -52.5796 -27.0407 -27.0407 -27.0116 -27.0116 -26.2317 -26.2317 -26.2236 -26.2236 -26.2053 -26.2053 -26.1408 -26.1408 -0.5334 -0.5334 0.0591 0.0591 5.8993 5.8993 6.5091 6.5091 7.0040 7.0040 7.3145 7.3145 8.0657 8.0657 8.3810 8.3810 10.7905 10.7905 11.8569 11.8569 11.9210 11.9210 11.9970 11.9970 12.0366 12.0366 12.3241 12.3241 12.6603 12.6603 k = 0.2407 0.4170-0.0000 ( 3132 PWs) bands (ev): -52.5917 -52.5917 -52.5796 -52.5796 -27.0407 -27.0407 -27.0114 -27.0114 -26.2317 -26.2317 -26.2234 -26.2234 -26.2051 -26.2051 -26.1408 -26.1408 -0.5827 -0.5827 0.0641 0.0641 5.9626 5.9626 6.5115 6.5115 6.9616 6.9616 7.3546 7.3546 8.1001 8.1001 8.4156 8.4156 10.7579 10.7579 11.8681 11.8681 11.9308 11.9308 11.9939 11.9939 12.0263 12.0263 12.3091 12.3091 12.7158 12.7158 k = 0.2346 0.4063-0.0000 ( 3128 PWs) bands (ev): -52.5917 -52.5917 -52.5796 -52.5796 -27.0406 -27.0406 -27.0113 -27.0113 -26.2317 -26.2317 -26.2231 -26.2231 -26.2049 -26.2049 -26.1407 -26.1407 -0.6333 -0.6333 0.0683 0.0683 6.0313 6.0313 6.5082 6.5082 6.9208 6.9208 7.3995 7.3995 8.1360 8.1360 8.4528 8.4528 10.7256 10.7256 11.8788 11.8788 11.9402 11.9402 11.9880 11.9880 12.0151 12.0151 12.2983 12.2983 12.7727 12.7727 k = 0.2284 0.3956-0.0000 ( 3132 PWs) bands (ev): -52.5918 -52.5918 -52.5796 -52.5796 -27.0405 -27.0405 -27.0111 -27.0111 -26.2317 -26.2317 -26.2228 -26.2228 -26.2047 -26.2047 -26.1407 -26.1407 -0.6851 -0.6851 0.0717 0.0717 6.1050 6.1050 6.4964 6.4964 6.8873 6.8873 7.4464 7.4464 8.1735 8.1735 8.4927 8.4927 10.6938 10.6938 11.8886 11.8886 11.9490 11.9490 11.9745 11.9745 12.0083 12.0083 12.2915 12.2915 12.8301 12.8301 k = 0.2222 0.3849-0.0000 ( 3128 PWs) bands (ev): -52.5918 -52.5918 -52.5796 -52.5796 -27.0404 -27.0404 -27.0110 -27.0110 -26.2317 -26.2317 -26.2226 -26.2226 -26.2045 -26.2045 -26.1407 -26.1407 -0.7379 -0.7379 0.0743 0.0743 6.1831 6.1831 6.4740 6.4740 6.8654 6.8654 7.4939 7.4939 8.2128 8.2128 8.5351 8.5351 10.6627 10.6627 11.8970 11.8970 11.9500 11.9500 11.9608 11.9608 12.0066 12.0066 12.2881 12.2881 12.8875 12.8875 k = 0.2160 0.3742-0.0000 ( 3130 PWs) bands (ev): -52.5918 -52.5918 -52.5797 -52.5797 -27.0404 -27.0404 -27.0108 -27.0108 -26.2317 -26.2317 -26.2223 -26.2223 -26.2043 -26.2043 -26.1406 -26.1406 -0.7913 -0.7913 0.0761 0.0761 6.2631 6.2631 6.4424 6.4424 6.8567 6.8567 7.5410 7.5410 8.2540 8.2540 8.5800 8.5800 10.6323 10.6323 11.9037 11.9037 11.9254 11.9254 11.9678 11.9678 12.0074 12.0074 12.2874 12.2874 12.9442 12.9442 k = 0.2099 0.3635-0.0000 ( 3134 PWs) bands (ev): -52.5918 -52.5918 -52.5797 -52.5797 -27.0403 -27.0403 -27.0106 -27.0106 -26.2317 -26.2317 -26.2220 -26.2220 -26.2040 -26.2040 -26.1406 -26.1406 -0.8453 -0.8453 0.0772 0.0772 6.3275 6.3275 6.4206 6.4206 6.8600 6.8600 7.5872 7.5872 8.2971 8.2971 8.6275 8.6275 10.6030 10.6030 11.8966 11.8966 11.9084 11.9084 11.9760 11.9760 12.0097 12.0097 12.2887 12.2887 12.9999 12.9999 k = 0.2037 0.3528-0.0000 ( 3124 PWs) bands (ev): -52.5918 -52.5918 -52.5797 -52.5797 -27.0402 -27.0402 -27.0104 -27.0104 -26.2317 -26.2317 -26.2216 -26.2216 -26.2038 -26.2038 -26.1405 -26.1405 -0.8995 -0.8995 0.0774 0.0774 6.3127 6.3127 6.4747 6.4747 6.8731 6.8731 7.6321 7.6321 8.3423 8.3423 8.6772 8.6772 10.5749 10.5749 11.8661 11.8661 11.9109 11.9109 11.9835 11.9835 12.0134 12.0134 12.2913 12.2913 13.0539 13.0539 k = 0.1975 0.3421-0.0000 ( 3126 PWs) bands (ev): -52.5919 -52.5919 -52.5798 -52.5798 -27.0401 -27.0401 -27.0102 -27.0102 -26.2317 -26.2317 -26.2213 -26.2213 -26.2035 -26.2035 -26.1405 -26.1405 -0.9539 -0.9539 0.0770 0.0770 6.2592 6.2592 6.5668 6.5668 6.8935 6.8935 7.6753 7.6753 8.3897 8.3897 8.7294 8.7294 10.5480 10.5480 11.8344 11.8344 11.9110 11.9110 11.9901 11.9901 12.0185 12.0185 12.2949 12.2949 13.1059 13.1059 k = 0.1914 0.3314-0.0000 ( 3126 PWs) bands (ev): -52.5919 -52.5919 -52.5798 -52.5798 -27.0400 -27.0400 -27.0100 -27.0100 -26.2317 -26.2317 -26.2209 -26.2209 -26.2033 -26.2033 -26.1404 -26.1404 -1.0082 -1.0082 0.0759 0.0759 6.1975 6.1975 6.6679 6.6679 6.9194 6.9194 7.7167 7.7167 8.4392 8.4392 8.7838 8.7838 10.5225 10.5225 11.8020 11.8020 11.9087 11.9087 11.9953 11.9953 12.0248 12.0248 12.2991 12.2991 13.1557 13.1557 k = 0.1852 0.3208-0.0000 ( 3126 PWs) bands (ev): -52.5919 -52.5919 -52.5798 -52.5798 -27.0399 -27.0399 -27.0098 -27.0098 -26.2317 -26.2317 -26.2206 -26.2206 -26.2030 -26.2030 -26.1404 -26.1404 -1.0623 -1.0623 0.0741 0.0741 6.1328 6.1328 6.7744 6.7744 6.9496 6.9496 7.7558 7.7558 8.4911 8.4911 8.8405 8.8405 10.4984 10.4984 11.7693 11.7693 11.9039 11.9039 11.9996 11.9996 12.0318 12.0318 12.3036 12.3036 13.2030 13.2030 k = 0.1790 0.3101-0.0000 ( 3130 PWs) bands (ev): -52.5920 -52.5920 -52.5798 -52.5798 -27.0398 -27.0398 -27.0096 -27.0096 -26.2317 -26.2317 -26.2202 -26.2202 -26.2028 -26.2028 -26.1404 -26.1404 -1.1160 -1.1160 0.0717 0.0717 6.0666 6.0666 6.8851 6.8851 6.9831 6.9831 7.7926 7.7926 8.5453 8.5453 8.8993 8.8993 10.4758 10.4758 11.7365 11.7365 11.8965 11.8965 12.0032 12.0032 12.0389 12.0389 12.3083 12.3083 13.2477 13.2477 k = 0.1728 0.2994-0.0000 ( 3122 PWs) bands (ev): -52.5920 -52.5920 -52.5799 -52.5799 -27.0397 -27.0397 -27.0094 -27.0094 -26.2317 -26.2317 -26.2198 -26.2198 -26.2025 -26.2025 -26.1403 -26.1403 -1.1691 -1.1691 0.0687 0.0687 6.0001 6.0001 6.9995 6.9995 7.0195 7.0195 7.8270 7.8270 8.6019 8.6019 8.9603 8.9603 10.4548 10.4548 11.7038 11.7038 11.8868 11.8868 12.0062 12.0062 12.0457 12.0457 12.3131 12.3131 13.2895 13.2895 k = 0.1667 0.2887-0.0000 ( 3124 PWs) bands (ev): -52.5920 -52.5920 -52.5799 -52.5799 -27.0396 -27.0396 -27.0092 -27.0092 -26.2317 -26.2317 -26.2195 -26.2195 -26.2022 -26.2022 -26.1403 -26.1403 -1.2214 -1.2214 0.0652 0.0652 5.9338 5.9338 7.0574 7.0574 7.1180 7.1180 7.8589 7.8589 8.6610 8.6610 9.0233 9.0233 10.4354 10.4354 11.6714 11.6714 11.8747 11.8747 12.0084 12.0084 12.0519 12.0519 12.3177 12.3177 13.3286 13.3286 k = 0.1605 0.2780-0.0000 ( 3120 PWs) bands (ev): -52.5920 -52.5920 -52.5799 -52.5799 -27.0395 -27.0395 -27.0089 -27.0089 -26.2317 -26.2317 -26.2191 -26.2191 -26.2019 -26.2019 -26.1402 -26.1402 -1.2729 -1.2729 0.0612 0.0612 5.8682 5.8682 7.0975 7.0975 7.2393 7.2393 7.8883 7.8883 8.7226 8.7226 9.0885 9.0885 10.4177 10.4177 11.6393 11.6393 11.8604 11.8604 12.0094 12.0094 12.0575 12.0575 12.3223 12.3223 13.3650 13.3650 k = 0.1543 0.2673-0.0000 ( 3124 PWs) bands (ev): -52.5921 -52.5921 -52.5799 -52.5799 -27.0393 -27.0393 -27.0087 -27.0087 -26.2317 -26.2317 -26.2187 -26.2187 -26.2017 -26.2017 -26.1402 -26.1402 -1.3234 -1.3234 0.0568 0.0568 5.8036 5.8036 7.1388 7.1388 7.3635 7.3635 7.9150 7.9150 8.7867 8.7867 9.1556 9.1556 10.4015 10.4015 11.6078 11.6078 11.8440 11.8440 12.0088 12.0088 12.0626 12.0626 12.3267 12.3267 13.3986 13.3986 k = 0.1481 0.2566-0.0000 ( 3120 PWs) bands (ev): -52.5921 -52.5921 -52.5800 -52.5800 -27.0392 -27.0392 -27.0085 -27.0085 -26.2317 -26.2317 -26.2183 -26.2183 -26.2014 -26.2014 -26.1401 -26.1401 -1.3728 -1.3728 0.0521 0.0521 5.7404 5.7404 7.1812 7.1812 7.4902 7.4902 7.9394 7.9394 8.8534 8.8534 9.2247 9.2247 10.3868 10.3868 11.5769 11.5769 11.8257 11.8257 12.0058 12.0058 12.0676 12.0676 12.3309 12.3309 13.4296 13.4296 k = 0.1420 0.2459-0.0000 ( 3120 PWs) bands (ev): -52.5921 -52.5921 -52.5800 -52.5800 -27.0391 -27.0391 -27.0083 -27.0083 -26.2317 -26.2317 -26.2179 -26.2179 -26.2011 -26.2011 -26.1401 -26.1401 -1.4209 -1.4209 0.0470 0.0470 5.6787 5.6787 7.2244 7.2244 7.6193 7.6193 7.9613 7.9613 8.9225 8.9225 9.2957 9.2957 10.3737 10.3737 11.5466 11.5466 11.8056 11.8056 11.9999 11.9999 12.0726 12.0726 12.3349 12.3349 13.4581 13.4581 k = 0.1358 0.2352-0.0000 ( 3116 PWs) bands (ev): -52.5922 -52.5922 -52.5800 -52.5800 -27.0390 -27.0390 -27.0080 -27.0080 -26.2317 -26.2317 -26.2175 -26.2175 -26.2008 -26.2008 -26.1400 -26.1400 -1.4677 -1.4677 0.0416 0.0416 5.6187 5.6187 7.2679 7.2679 7.7502 7.7502 7.9812 7.9812 8.9941 8.9941 9.3686 9.3686 10.3622 10.3622 11.5172 11.5172 11.7838 11.7838 11.9906 11.9906 12.0778 12.0778 12.3386 12.3386 13.4843 13.4843 k = 0.1296 0.2245-0.0000 ( 3112 PWs) bands (ev): -52.5922 -52.5922 -52.5801 -52.5801 -27.0389 -27.0389 -27.0078 -27.0078 -26.2317 -26.2317 -26.2171 -26.2171 -26.2005 -26.2005 -26.1400 -26.1400 -1.5130 -1.5130 0.0361 0.0361 5.5606 5.5606 7.3116 7.3116 7.8822 7.8822 7.9995 7.9995 9.0681 9.0681 9.4433 9.4433 10.3521 10.3521 11.4885 11.4885 11.7603 11.7603 11.9777 11.9777 12.0833 12.0833 12.3421 12.3421 13.5082 13.5082 k = 0.1235 0.2138-0.0000 ( 3108 PWs) bands (ev): -52.5922 -52.5922 -52.5801 -52.5801 -27.0388 -27.0388 -27.0076 -27.0076 -26.2317 -26.2317 -26.2168 -26.2168 -26.2003 -26.2003 -26.1399 -26.1399 -1.5567 -1.5567 0.0304 0.0304 5.5045 5.5045 7.3551 7.3551 8.0006 8.0006 8.0308 8.0308 9.1445 9.1445 9.5198 9.5198 10.3434 10.3434 11.4608 11.4608 11.7352 11.7352 11.9611 11.9611 12.0889 12.0889 12.3454 12.3454 13.5294 13.5294 k = 0.1173 0.2031-0.0000 ( 3112 PWs) bands (ev): -52.5922 -52.5922 -52.5801 -52.5801 -27.0387 -27.0387 -27.0074 -27.0074 -26.2317 -26.2317 -26.2164 -26.2164 -26.2000 -26.2000 -26.1399 -26.1399 -1.5989 -1.5989 0.0246 0.0246 5.4506 5.4506 7.3981 7.3981 8.0249 8.0249 8.1554 8.1554 9.2232 9.2232 9.5979 9.5979 10.3362 10.3362 11.4341 11.4341 11.7084 11.7084 11.9410 11.9410 12.0945 12.0945 12.3484 12.3484 13.4622 13.4622 k = 0.1111 0.1925-0.0000 ( 3112 PWs) bands (ev): -52.5923 -52.5923 -52.5801 -52.5801 -27.0386 -27.0386 -27.0072 -27.0072 -26.2317 -26.2317 -26.2160 -26.2160 -26.1997 -26.1997 -26.1398 -26.1398 -1.6393 -1.6393 0.0187 0.0187 5.3989 5.3989 7.4404 7.4404 8.0378 8.0378 8.2905 8.2905 9.3039 9.3039 9.6777 9.6777 10.3305 10.3305 11.4084 11.4084 11.6800 11.6800 11.9173 11.9173 12.0998 12.0998 12.3512 12.3512 13.3806 13.3806 k = 0.1049 0.1818-0.0000 ( 3117 PWs) bands (ev): -52.5923 -52.5923 -52.5802 -52.5802 -27.0385 -27.0385 -27.0070 -27.0070 -26.2317 -26.2317 -26.2157 -26.2157 -26.1995 -26.1995 -26.1398 -26.1398 -1.6779 -1.6779 0.0129 0.0129 5.3496 5.3496 7.4816 7.4816 8.0489 8.0489 8.4263 8.4263 9.3865 9.3865 9.7589 9.7589 10.3262 10.3262 11.3838 11.3838 11.6498 11.6498 11.8904 11.8904 12.1047 12.1047 12.3538 12.3538 13.2953 13.2953 k = 0.0988 0.1711-0.0000 ( 3109 PWs) bands (ev): -52.5923 -52.5923 -52.5802 -52.5802 -27.0384 -27.0384 -27.0068 -27.0068 -26.2317 -26.2317 -26.2153 -26.2153 -26.1992 -26.1992 -26.1397 -26.1397 -1.7146 -1.7146 0.0071 0.0071 5.3027 5.3027 7.5214 7.5214 8.0588 8.0588 8.5620 8.5620 9.4708 9.4708 9.8415 9.8415 10.3236 10.3236 11.3604 11.3604 11.6178 11.6178 11.8605 11.8605 12.1088 12.1088 12.3561 12.3561 13.2074 13.2074 k = 0.0926 0.1604-0.0000 ( 3107 PWs) bands (ev): -52.5923 -52.5923 -52.5802 -52.5802 -27.0383 -27.0383 -27.0066 -27.0066 -26.2317 -26.2317 -26.2150 -26.2150 -26.1990 -26.1990 -26.1397 -26.1397 -1.7494 -1.7494 0.0014 0.0014 5.2583 5.2583 7.5595 7.5595 8.0679 8.0679 8.6971 8.6971 9.5563 9.5563 9.9253 9.9253 10.3230 10.3230 11.3381 11.3381 11.5837 11.5837 11.8280 11.8280 12.1119 12.1119 12.3583 12.3583 13.1177 13.1177 k = 0.0864 0.1497-0.0000 ( 3109 PWs) bands (ev): -52.5924 -52.5924 -52.5802 -52.5802 -27.0382 -27.0382 -27.0064 -27.0064 -26.2317 -26.2317 -26.2147 -26.2147 -26.1988 -26.1988 -26.1396 -26.1396 -1.7822 -1.7822 -0.0041 -0.0041 5.2165 5.2165 7.5956 7.5956 8.0764 8.0764 8.8309 8.8309 9.6425 9.6425 10.0099 10.0099 10.3249 10.3249 11.3170 11.3170 11.5474 11.5474 11.7932 11.7932 12.1135 12.1135 12.3601 12.3601 13.0273 13.0273 k = 0.0802 0.1390-0.0000 ( 3111 PWs) bands (ev): -52.5924 -52.5924 -52.5803 -52.5803 -27.0381 -27.0381 -27.0062 -27.0062 -26.2317 -26.2317 -26.2144 -26.2144 -26.1985 -26.1985 -26.1396 -26.1396 -1.8130 -1.8130 -0.0095 -0.0095 5.1774 5.1774 7.6295 7.6295 8.0845 8.0845 8.9629 8.9629 9.7287 9.7287 10.0947 10.0947 10.3303 10.3303 11.2973 11.2973 11.5087 11.5087 11.7563 11.7563 12.1129 12.1129 12.3618 12.3618 12.9372 12.9372 k = 0.0741 0.1283-0.0000 ( 3107 PWs) bands (ev): -52.5924 -52.5924 -52.5803 -52.5803 -27.0381 -27.0381 -27.0060 -27.0060 -26.2317 -26.2317 -26.2141 -26.2141 -26.1983 -26.1983 -26.1395 -26.1395 -1.8417 -1.8417 -0.0146 -0.0146 5.1409 5.1409 7.6608 7.6608 8.0926 8.0926 9.0925 9.0925 9.8136 9.8136 10.1784 10.1784 10.3412 10.3412 11.2789 11.2789 11.4675 11.4675 11.7178 11.7178 12.1096 12.1096 12.3633 12.3633 12.8485 12.8485 k = 0.0679 0.1176-0.0000 ( 3107 PWs) bands (ev): -52.5925 -52.5925 -52.5803 -52.5803 -27.0380 -27.0380 -27.0059 -27.0059 -26.2317 -26.2317 -26.2138 -26.2138 -26.1981 -26.1981 -26.1395 -26.1395 -1.8682 -1.8682 -0.0195 -0.0195 5.1072 5.1072 7.6893 7.6893 8.1007 8.1007 9.2192 9.2192 9.8954 9.8954 10.2569 10.2569 10.3632 10.3632 11.2618 11.2618 11.4238 11.4238 11.6778 11.6778 12.1023 12.1023 12.3646 12.3646 12.7629 12.7629 k = 0.0617 0.1069-0.0000 ( 3109 PWs) bands (ev): -52.5925 -52.5925 -52.5803 -52.5803 -27.0379 -27.0379 -27.0057 -27.0057 -26.2317 -26.2317 -26.2136 -26.2136 -26.1979 -26.1979 -26.1395 -26.1395 -1.8926 -1.8926 -0.0240 -0.0240 5.0763 5.0763 7.7149 7.7149 8.1090 8.1090 9.3421 9.3421 9.9714 9.9714 10.3199 10.3199 10.4085 10.4085 11.2461 11.2461 11.3775 11.3775 11.6364 11.6364 12.0896 12.0896 12.3657 12.3657 12.6821 12.6821 k = 0.0556 0.0962-0.0000 ( 3109 PWs) bands (ev): -52.5925 -52.5925 -52.5803 -52.5803 -27.0379 -27.0379 -27.0056 -27.0056 -26.2317 -26.2317 -26.2133 -26.2133 -26.1978 -26.1978 -26.1394 -26.1394 -1.9148 -1.9148 -0.0283 -0.0283 5.0482 5.0482 7.7375 7.7375 8.1175 8.1175 9.4605 9.4605 10.0380 10.0380 10.3673 10.3673 10.4801 10.4801 11.2318 11.2318 11.3291 11.3291 11.5936 11.5936 12.0697 12.0697 12.3666 12.3666 12.6085 12.6085 k = 0.0494 0.0855-0.0000 ( 3109 PWs) bands (ev): -52.5925 -52.5925 -52.5803 -52.5803 -27.0378 -27.0378 -27.0055 -27.0055 -26.2317 -26.2317 -26.2131 -26.2131 -26.1976 -26.1976 -26.1394 -26.1394 -1.9347 -1.9347 -0.0321 -0.0321 5.0230 5.0230 7.7570 7.7570 8.1260 8.1260 9.5736 9.5736 10.0920 10.0920 10.4166 10.4166 10.5626 10.5626 11.2189 11.2189 11.2789 11.2789 11.5493 11.5493 12.0406 12.0406 12.3672 12.3672 12.5445 12.5445 k = 0.0432 0.0748-0.0000 ( 3109 PWs) bands (ev): -52.5925 -52.5925 -52.5803 -52.5803 -27.0378 -27.0378 -27.0054 -27.0054 -26.2317 -26.2317 -26.2129 -26.2129 -26.1975 -26.1975 -26.1394 -26.1394 -1.9523 -1.9523 -0.0356 -0.0356 5.0006 5.0006 7.7736 7.7736 8.1345 8.1345 9.6802 9.6802 10.1327 10.1327 10.4759 10.4759 10.6474 10.6474 11.2076 11.2076 11.2280 11.2280 11.5034 11.5034 12.0008 12.0008 12.3676 12.3676 12.4921 12.4921 k = 0.0370 0.0642-0.0000 ( 3113 PWs) bands (ev): -52.5925 -52.5925 -52.5804 -52.5804 -27.0377 -27.0377 -27.0053 -27.0053 -26.2317 -26.2317 -26.2128 -26.2128 -26.1974 -26.1974 -26.1394 -26.1394 -1.9676 -1.9676 -0.0386 -0.0386 4.9812 4.9812 7.7873 7.7873 8.1427 8.1427 9.7788 9.7788 10.1627 10.1627 10.5443 10.5443 10.7307 10.7307 11.1779 11.1779 11.1978 11.1978 11.4558 11.4558 11.9505 11.9505 12.3676 12.3676 12.4521 12.4521 k = 0.0309 0.0535-0.0000 ( 3113 PWs) bands (ev): -52.5926 -52.5926 -52.5804 -52.5804 -27.0377 -27.0377 -27.0052 -27.0052 -26.2317 -26.2317 -26.2126 -26.2126 -26.1973 -26.1973 -26.1393 -26.1393 -1.9806 -1.9806 -0.0413 -0.0413 4.9648 4.9648 7.7984 7.7984 8.1503 8.1503 9.8671 9.8671 10.1866 10.1866 10.6180 10.6180 10.8085 10.8085 11.1324 11.1324 11.1895 11.1895 11.4065 11.4065 11.8915 11.8915 12.3672 12.3672 12.4235 12.4235 k = 0.0247 0.0428-0.0000 ( 3121 PWs) bands (ev): -52.5926 -52.5926 -52.5804 -52.5804 -27.0376 -27.0376 -27.0051 -27.0051 -26.2317 -26.2317 -26.2125 -26.2125 -26.1972 -26.1972 -26.1393 -26.1393 -1.9913 -1.9913 -0.0434 -0.0434 4.9513 4.9513 7.8071 7.8071 8.1570 8.1570 9.9423 9.9423 10.2086 10.2086 10.6928 10.6928 10.8723 10.8723 11.0991 11.0991 11.1829 11.1829 11.3559 11.3559 11.8275 11.8275 12.3660 12.3660 12.4045 12.4045 k = 0.0185 0.0321-0.0000 ( 3129 PWs) bands (ev): -52.5926 -52.5926 -52.5804 -52.5804 -27.0376 -27.0376 -27.0051 -27.0051 -26.2317 -26.2317 -26.2124 -26.2124 -26.1971 -26.1971 -26.1393 -26.1393 -1.9996 -1.9996 -0.0451 -0.0451 4.9408 4.9408 7.8135 7.8135 8.1626 8.1626 10.0008 10.0008 10.2314 10.2314 10.7648 10.7648 10.9060 10.9060 11.0940 11.0940 11.1782 11.1782 11.3053 11.3053 11.7632 11.7632 12.3640 12.3640 12.3931 12.3931 k = 0.0123 0.0214-0.0000 ( 3125 PWs) bands (ev): -52.5926 -52.5926 -52.5804 -52.5804 -27.0376 -27.0376 -27.0050 -27.0050 -26.2317 -26.2317 -26.2124 -26.2124 -26.1971 -26.1971 -26.1393 -26.1393 -2.0056 -2.0056 -0.0464 -0.0464 4.9333 4.9333 7.8180 7.8180 8.1668 8.1668 10.0405 10.0405 10.2547 10.2547 10.8288 10.8288 10.9048 10.9048 11.1198 11.1198 11.1762 11.1762 11.2578 11.2578 11.7050 11.7050 12.3617 12.3617 12.3871 12.3871 k = 0.0062 0.0107-0.0000 ( 3119 PWs) bands (ev): -52.5926 -52.5926 -52.5804 -52.5804 -27.0376 -27.0376 -27.0050 -27.0050 -26.2317 -26.2317 -26.2123 -26.2123 -26.1970 -26.1970 -26.1393 -26.1393 -2.0091 -2.0091 -0.0471 -0.0471 4.9288 4.9288 7.8207 7.8207 8.1694 8.1694 10.0625 10.0625 10.2735 10.2735 10.8767 10.8767 10.8921 10.8921 11.1471 11.1471 11.1797 11.1797 11.2202 11.2202 11.6621 11.6621 12.3599 12.3599 12.3843 12.3843 k = 0.0000 0.0000 0.0000 ( 3127 PWs) bands (ev): -52.5926 -52.5926 -52.5804 -52.5804 -27.0376 -27.0376 -27.0050 -27.0050 -26.2317 -26.2317 -26.2123 -26.2123 -26.1970 -26.1970 -26.1393 -26.1393 -2.0103 -2.0103 -0.0473 -0.0473 4.9273 4.9273 7.8215 7.8215 8.1703 8.1703 10.0693 10.0693 10.2808 10.2808 10.8861 10.8861 10.8955 10.8955 11.1549 11.1549 11.1852 11.1852 11.2050 11.2050 11.6458 11.6458 12.3592 12.3592 12.3836 12.3836 k = 0.0000 0.0000 0.0000 ( 3127 PWs) bands (ev): -52.5926 -52.5926 -52.5804 -52.5804 -27.0376 -27.0376 -27.0050 -27.0050 -26.2317 -26.2317 -26.2123 -26.2123 -26.1970 -26.1970 -26.1393 -26.1393 -2.0103 -2.0103 -0.0473 -0.0473 4.9273 4.9273 7.8215 7.8215 8.1703 8.1703 10.0693 10.0693 10.2808 10.2808 10.8861 10.8861 10.8955 10.8955 11.1549 11.1549 11.1852 11.1852 11.2050 11.2050 11.6458 11.6458 12.3592 12.3592 12.3836 12.3836 k = 0.0000 0.0000 0.0124 ( 3115 PWs) bands (ev): -52.5926 -52.5926 -52.5804 -52.5804 -27.0375 -27.0375 -27.0050 -27.0050 -26.2316 -26.2316 -26.2123 -26.2123 -26.1970 -26.1970 -26.1394 -26.1394 -2.0091 -2.0091 -0.0503 -0.0503 4.9324 4.9324 7.8228 7.8228 8.1715 8.1715 10.0640 10.0640 10.2750 10.2750 10.8869 10.8869 10.8964 10.8964 11.0826 11.0826 11.1904 11.1904 11.2758 11.2758 11.6439 11.6439 12.3594 12.3594 12.3847 12.3847 k = 0.0000 0.0000 0.0247 ( 3115 PWs) bands (ev): -52.5926 -52.5926 -52.5804 -52.5804 -27.0374 -27.0374 -27.0051 -27.0051 -26.2314 -26.2314 -26.2123 -26.2123 -26.1971 -26.1971 -26.1397 -26.1397 -2.0054 -2.0054 -0.0593 -0.0593 4.9477 4.9477 7.8266 7.8266 8.1753 8.1753 10.0473 10.0473 10.2591 10.2591 10.8892 10.8892 10.8990 10.8990 10.9895 10.9895 11.2046 11.2046 11.3642 11.3642 11.6388 11.6388 12.3602 12.3602 12.3881 12.3881 k = 0.0000 0.0000 0.0371 ( 3139 PWs) bands (ev): -52.5925 -52.5925 -52.5805 -52.5805 -27.0373 -27.0373 -27.0052 -27.0052 -26.2310 -26.2310 -26.2122 -26.2122 -26.1972 -26.1972 -26.1401 -26.1401 -1.9993 -1.9993 -0.0741 -0.0741 4.9731 4.9731 7.8330 7.8330 8.1815 8.1815 10.0179 10.0179 10.2363 10.2363 10.8854 10.8854 10.9026 10.9026 10.9034 10.9034 11.2231 11.2231 11.4500 11.4500 11.6334 11.6334 12.3618 12.3618 12.3946 12.3946 k = 0.0000 0.0000 0.0495 ( 3139 PWs) bands (ev): -52.5924 -52.5924 -52.5806 -52.5806 -27.0370 -27.0370 -27.0054 -27.0054 -26.2305 -26.2305 -26.2121 -26.2121 -26.1973 -26.1973 -26.1407 -26.1407 -1.9907 -1.9907 -0.0945 -0.0945 5.0083 5.0083 7.8419 7.8419 8.1903 8.1903 9.9751 9.9751 10.2097 10.2097 10.7976 10.7976 10.9012 10.9012 10.9095 10.9095 11.2399 11.2399 11.5310 11.5310 11.6319 11.6319 12.3650 12.3650 12.4053 12.4053 k = 0.0000 0.0000 0.0619 ( 3121 PWs) bands (ev): -52.5923 -52.5923 -52.5807 -52.5807 -27.0367 -27.0367 -27.0056 -27.0056 -26.2298 -26.2298 -26.2120 -26.2120 -26.1974 -26.1974 -26.1415 -26.1415 -1.9797 -1.9797 -0.1202 -0.1202 5.0530 5.0530 7.8533 7.8533 8.2015 8.2015 9.9194 9.9194 10.1808 10.1808 10.7027 10.7027 10.9088 10.9088 10.9173 10.9173 11.2489 11.2489 11.6051 11.6051 11.6387 11.6387 12.3706 12.3706 12.4218 12.4218 k = 0.0000 0.0000 0.0742 ( 3115 PWs) bands (ev): -52.5922 -52.5922 -52.5808 -52.5808 -27.0363 -27.0363 -27.0059 -27.0059 -26.2289 -26.2289 -26.2118 -26.2118 -26.1975 -26.1975 -26.1425 -26.1425 -1.9662 -1.9662 -0.1510 -0.1510 5.1070 5.1070 7.8673 7.8673 8.2153 8.2153 9.8525 9.8525 10.1488 10.1488 10.6080 10.6080 10.9183 10.9183 10.9269 10.9269 11.2472 11.2472 11.6556 11.6556 11.6702 11.6702 12.3799 12.3799 12.4461 12.4461 k = 0.0000 0.0000 0.0866 ( 3115 PWs) bands (ev): -52.5921 -52.5921 -52.5809 -52.5809 -27.0359 -27.0359 -27.0062 -27.0062 -26.2279 -26.2279 -26.2116 -26.2116 -26.1977 -26.1977 -26.1437 -26.1437 -1.9503 -1.9503 -0.1864 -0.1864 5.1698 5.1698 7.8838 7.8838 8.2316 8.2316 9.7767 9.7767 10.1122 10.1122 10.5139 10.5139 10.9295 10.9295 10.9381 10.9381 11.2362 11.2362 11.6807 11.6807 11.7242 11.7242 12.3945 12.3945 12.4799 12.4799 k = 0.0000 0.0000 0.0990 ( 3127 PWs) bands (ev): -52.5919 -52.5919 -52.5811 -52.5811 -27.0354 -27.0354 -27.0066 -27.0066 -26.2268 -26.2268 -26.2114 -26.2114 -26.1979 -26.1979 -26.1450 -26.1450 -1.9321 -1.9321 -0.2260 -0.2260 5.2410 5.2410 7.9029 7.9029 8.2503 8.2503 9.6938 9.6938 10.0689 10.0689 10.4206 10.4206 10.9424 10.9424 10.9510 10.9510 11.2200 11.2200 11.7091 11.7091 11.7655 11.7655 12.4161 12.4161 12.5249 12.5249 k = 0.0000 0.0000 0.1114 ( 3127 PWs) bands (ev): -52.5917 -52.5917 -52.5813 -52.5813 -27.0349 -27.0349 -27.0070 -27.0070 -26.2255 -26.2255 -26.2112 -26.2112 -26.1981 -26.1981 -26.1464 -26.1464 -1.9114 -1.9114 -0.2695 -0.2695 5.3201 5.3201 7.9244 7.9244 8.2715 8.2715 9.6050 9.6050 10.0179 10.0179 10.3283 10.3283 10.9570 10.9570 10.9656 10.9656 11.2035 11.2035 11.7360 11.7360 11.7938 11.7938 12.4467 12.4467 12.5813 12.5813 k = 0.0000 0.0000 0.1237 ( 3127 PWs) bands (ev): -52.5915 -52.5915 -52.5815 -52.5815 -27.0342 -27.0342 -27.0075 -27.0075 -26.2241 -26.2241 -26.2110 -26.2110 -26.1984 -26.1984 -26.1480 -26.1480 -1.8884 -1.8884 -0.3164 -0.3164 5.4066 5.4066 7.9485 7.9485 8.2951 8.2951 9.5112 9.5112 9.9585 9.9585 10.2371 10.2371 10.9733 10.9733 10.9817 10.9817 11.1904 11.1904 11.7573 11.7573 11.8098 11.8098 12.4875 12.4875 12.6484 12.6484 k = 0.0000 0.0000 0.1361 ( 3127 PWs) bands (ev): -52.5913 -52.5913 -52.5817 -52.5817 -27.0336 -27.0336 -27.0080 -27.0080 -26.2226 -26.2226 -26.2107 -26.2107 -26.1987 -26.1987 -26.1498 -26.1498 -1.8631 -1.8631 -0.3662 -0.3662 5.5002 5.5002 7.9752 7.9752 8.3213 8.3213 9.4128 9.4128 9.8907 9.8907 10.1472 10.1472 10.9911 10.9911 10.9995 10.9995 11.1831 11.1831 11.7710 11.7710 11.8150 11.8150 12.5388 12.5388 12.7247 12.7247 k = 0.0000 0.0000 0.1485 ( 3127 PWs) bands (ev): -52.5911 -52.5911 -52.5819 -52.5819 -27.0329 -27.0329 -27.0085 -27.0085 -26.2209 -26.2209 -26.2104 -26.2104 -26.1990 -26.1990 -26.1517 -26.1517 -1.8355 -1.8355 -0.4186 -0.4186 5.6002 5.6002 8.0043 8.0043 8.3498 8.3498 9.3100 9.3100 9.8155 9.8155 10.0586 10.0586 11.0105 11.0105 11.0188 11.0188 11.1831 11.1831 11.7764 11.7764 11.8114 11.8114 12.6000 12.6000 12.8082 12.8082 k = 0.0000 0.0000 0.1609 ( 3134 PWs) bands (ev): -52.5908 -52.5908 -52.5822 -52.5822 -27.0321 -27.0321 -27.0091 -27.0091 -26.2191 -26.2191 -26.2101 -26.2101 -26.1993 -26.1993 -26.1537 -26.1537 -1.8056 -1.8056 -0.4731 -0.4731 5.7063 5.7063 8.0360 8.0360 8.3808 8.3808 9.2026 9.2026 9.7341 9.7341 9.9715 9.9715 11.0314 11.0314 11.0396 11.0396 11.1907 11.1907 11.7740 11.7740 11.8006 11.8006 12.6700 12.6700 12.8690 12.8690 k = 0.0000 0.0000 0.1732 ( 3134 PWs) bands (ev): -52.5906 -52.5906 -52.5824 -52.5824 -27.0313 -27.0313 -27.0097 -27.0097 -26.2171 -26.2171 -26.2097 -26.2097 -26.1996 -26.1996 -26.1558 -26.1558 -1.7735 -1.7735 -0.5294 -0.5294 5.8180 5.8180 8.0702 8.0702 8.4142 8.4142 9.0905 9.0905 9.6484 9.6484 9.8859 9.8859 11.0537 11.0537 11.0618 11.0618 11.2059 11.2059 11.7647 11.7647 11.7842 11.7842 12.7471 12.7471 12.7833 12.7833 k = 0.0000 0.0000 0.1856 ( 3122 PWs) bands (ev): -52.5903 -52.5903 -52.5827 -52.5827 -27.0305 -27.0305 -27.0104 -27.0104 -26.2151 -26.2151 -26.2094 -26.2094 -26.2000 -26.2000 -26.1581 -26.1581 -1.7392 -1.7392 -0.5870 -0.5870 5.9349 5.9349 8.1069 8.1069 8.4501 8.4501 8.9737 8.9737 9.5599 9.5599 9.8018 9.8018 11.0775 11.0775 11.0854 11.0854 11.2283 11.2283 11.7497 11.7497 11.7633 11.7633 12.6975 12.6975 12.8299 12.8299 k = 0.0000 0.0000 0.1980 ( 3122 PWs) bands (ev): -52.5900 -52.5900 -52.5830 -52.5830 -27.0296 -27.0296 -27.0111 -27.0111 -26.2129 -26.2129 -26.2090 -26.2090 -26.2003 -26.2003 -26.1604 -26.1604 -1.7027 -1.7027 -0.6458 -0.6458 6.0565 6.0565 8.1461 8.1461 8.4883 8.4883 8.8520 8.8520 9.4704 9.4704 9.7194 9.7194 11.1027 11.1027 11.1104 11.1104 11.2572 11.2572 11.7302 11.7302 11.7389 11.7389 12.6119 12.6119 12.9169 12.9169 k = 0.0000 0.0000 0.2104 ( 3122 PWs) bands (ev): -52.5897 -52.5897 -52.5833 -52.5833 -27.0287 -27.0287 -27.0119 -27.0119 -26.2107 -26.2107 -26.2086 -26.2086 -26.2007 -26.2007 -26.1629 -26.1629 -1.6642 -1.6642 -0.7052 -0.7052 6.1824 6.1824 8.1878 8.1878 8.5289 8.5289 8.7256 8.7256 9.3810 9.3810 9.6387 9.6387 11.1291 11.1291 11.1366 11.1366 11.2920 11.2920 11.7070 11.7070 11.7117 11.7117 12.5266 12.5266 13.0071 13.0071 k = 0.0000 0.0000 0.2227 ( 3122 PWs) bands (ev): -52.5893 -52.5893 -52.5837 -52.5837 -27.0278 -27.0278 -27.0126 -27.0126 -26.2084 -26.2084 -26.2082 -26.2082 -26.2011 -26.2011 -26.1654 -26.1654 -1.6236 -1.6236 -0.7652 -0.7652 6.3123 6.3123 8.2320 8.2320 8.5718 8.5718 8.5947 8.5947 9.2929 9.2929 9.5598 9.5598 11.1568 11.1568 11.1641 11.1641 11.3321 11.3321 11.6812 11.6812 11.6823 11.6823 12.4418 12.4418 13.0994 13.0994 k = 0.0000 0.0000 0.2351 ( 3128 PWs) bands (ev): -52.5890 -52.5890 -52.5840 -52.5840 -27.0268 -27.0268 -27.0135 -27.0135 -26.2078 -26.2078 -26.2059 -26.2059 -26.2015 -26.2015 -26.1680 -26.1680 -1.5810 -1.5810 -0.8253 -0.8253 6.4457 6.4457 8.2787 8.2787 8.4597 8.4597 8.6171 8.6171 9.2067 9.2067 9.4827 9.4827 11.1856 11.1856 11.1927 11.1927 11.3768 11.3768 11.6512 11.6512 11.6534 11.6534 12.3579 12.3579 13.1932 13.1932 k = 0.0000 0.0000 0.2475 ( 3134 PWs) bands (ev): -52.5887 -52.5887 -52.5844 -52.5844 -27.0258 -27.0258 -27.0143 -27.0143 -26.2074 -26.2074 -26.2034 -26.2034 -26.2020 -26.2020 -26.1706 -26.1706 -1.5365 -1.5365 -0.8854 -0.8854 6.5823 6.5823 8.3211 8.3211 8.3280 8.3280 8.6647 8.6647 9.1229 9.1229 9.4075 9.4075 11.2155 11.2155 11.2222 11.2222 11.4252 11.4252 11.6187 11.6187 11.6247 11.6247 12.2749 12.2749 13.2878 13.2878 k = 0.0000 0.0000 0.2599 ( 3134 PWs) bands (ev): -52.5883 -52.5883 -52.5847 -52.5847 -27.0249 -27.0249 -27.0152 -27.0152 -26.2069 -26.2069 -26.2024 -26.2024 -26.2008 -26.2008 -26.1733 -26.1733 -1.4901 -1.4901 -0.9452 -0.9452 6.7217 6.7217 8.1795 8.1795 8.3798 8.3798 8.7146 8.7146 9.0416 9.0416 9.3342 9.3342 11.2464 11.2464 11.2528 11.2528 11.4749 11.4749 11.5853 11.5853 11.5975 11.5975 12.1933 12.1933 13.3826 13.3826 k = 0.0000 0.0000 0.2722 ( 3134 PWs) bands (ev): -52.5880 -52.5880 -52.5851 -52.5851 -27.0239 -27.0239 -27.0161 -27.0161 -26.2065 -26.2065 -26.2028 -26.2028 -26.1982 -26.1982 -26.1761 -26.1761 -1.4419 -1.4419 -1.0045 -1.0045 6.8635 6.8635 8.0354 8.0354 8.4341 8.4341 8.7668 8.7668 8.9632 8.9632 9.2628 9.2628 11.2783 11.2783 11.2842 11.2842 11.5135 11.5135 11.5513 11.5513 11.5842 11.5842 12.1130 12.1130 13.4774 13.4774 k = 0.0000 0.0000 0.2846 ( 3140 PWs) bands (ev): -52.5876 -52.5876 -52.5854 -52.5854 -27.0229 -27.0229 -27.0170 -27.0170 -26.2060 -26.2060 -26.2033 -26.2033 -26.1955 -26.1955 -26.1788 -26.1788 -1.3921 -1.3921 -1.0631 -1.0631 7.0073 7.0073 7.8896 7.8896 8.4910 8.4910 8.8212 8.8212 8.8875 8.8875 9.1934 9.1934 11.3109 11.3109 11.3163 11.3163 11.5077 11.5077 11.5167 11.5167 11.6180 11.6180 12.0345 12.0345 13.5715 13.5715 k = 0.0000 0.0000 0.2970 ( 3146 PWs) bands (ev): -52.5873 -52.5873 -52.5858 -52.5858 -27.0219 -27.0219 -27.0180 -27.0180 -26.2056 -26.2056 -26.2037 -26.2037 -26.1928 -26.1928 -26.1816 -26.1816 -1.3406 -1.3406 -1.1209 -1.1209 7.1528 7.1528 7.7425 7.7425 8.5504 8.5504 8.8147 8.8147 8.8779 8.8779 9.1261 9.1261 11.3442 11.3442 11.3489 11.3489 11.4799 11.4799 11.4819 11.4819 11.6766 11.6766 11.9578 11.9578 13.6648 13.6648 k = 0.0000 0.0000 0.3094 ( 3158 PWs) bands (ev): -52.5869 -52.5869 -52.5862 -52.5862 -27.0209 -27.0209 -27.0189 -27.0189 -26.2051 -26.2051 -26.2042 -26.2042 -26.1900 -26.1900 -26.1844 -26.1844 -1.2877 -1.2877 -1.1777 -1.1777 7.2995 7.2995 7.5948 7.5948 8.6125 8.6125 8.7446 8.7446 8.9367 8.9367 9.0609 9.0609 11.3781 11.3781 11.3819 11.3819 11.4471 11.4471 11.4480 11.4480 11.7420 11.7420 11.8833 11.8833 13.7569 13.7569 k = 0.0000 0.0000 0.3217 ( 3158 PWs) bands (ev): -52.5865 -52.5865 -52.5865 -52.5865 -27.0199 -27.0199 -27.0199 -27.0199 -26.2047 -26.2047 -26.2047 -26.2047 -26.1872 -26.1872 -26.1872 -26.1872 -1.2333 -1.2333 -1.2333 -1.2333 7.4470 7.4470 7.4470 7.4470 8.6772 8.6772 8.6772 8.6772 8.9977 8.9977 8.9977 8.9977 11.4125 11.4125 11.4125 11.4125 11.4151 11.4151 11.4151 11.4151 11.8112 11.8112 11.8112 11.8112 13.8475 13.8475 k = 0.0000 0.0000 0.3217 ( 3158 PWs) bands (ev): -52.5865 -52.5865 -52.5865 -52.5865 -27.0199 -27.0199 -27.0199 -27.0199 -26.2047 -26.2047 -26.2047 -26.2047 -26.1872 -26.1872 -26.1872 -26.1872 -1.2333 -1.2333 -1.2333 -1.2333 7.4470 7.4470 7.4470 7.4470 8.6772 8.6772 8.6772 8.6772 8.9977 8.9977 8.9977 8.9977 11.4125 11.4125 11.4125 11.4125 11.4151 11.4151 11.4151 11.4151 11.8112 11.8112 11.8112 11.8112 13.8475 13.8475 k = 0.0106 0.0061 0.3217 ( 3158 PWs) bands (ev): -52.5865 -52.5865 -52.5865 -52.5865 -27.0199 -27.0199 -27.0199 -27.0199 -26.2047 -26.2047 -26.2047 -26.2047 -26.1872 -26.1872 -26.1872 -26.1872 -1.2324 -1.2324 -1.2324 -1.2324 7.4454 7.4454 7.4454 7.4454 8.6761 8.6761 8.6761 8.6761 8.9967 8.9967 8.9967 8.9967 11.4118 11.4118 11.4118 11.4118 11.4150 11.4150 11.4150 11.4150 11.8135 11.8135 11.8135 11.8135 13.8452 13.8452 k = 0.0213 0.0123 0.3217 ( 3150 PWs) bands (ev): -52.5865 -52.5865 -52.5865 -52.5865 -27.0199 -27.0199 -27.0199 -27.0199 -26.2047 -26.2047 -26.2047 -26.2047 -26.1872 -26.1872 -26.1872 -26.1872 -1.2296 -1.2296 -1.2296 -1.2296 7.4406 7.4406 7.4406 7.4406 8.6730 8.6730 8.6730 8.6730 8.9936 8.9936 8.9936 8.9936 11.4092 11.4092 11.4092 11.4092 11.4152 11.4152 11.4152 11.4152 11.8205 11.8205 11.8205 11.8205 13.8382 13.8382 k = 0.0319 0.0184 0.3217 ( 3160 PWs) bands (ev): -52.5865 -52.5865 -52.5865 -52.5865 -27.0199 -27.0199 -27.0199 -27.0199 -26.2048 -26.2048 -26.2048 -26.2048 -26.1872 -26.1872 -26.1872 -26.1872 -1.2251 -1.2251 -1.2251 -1.2251 7.4325 7.4325 7.4325 7.4325 8.6678 8.6678 8.6678 8.6678 8.9885 8.9885 8.9885 8.9885 11.4046 11.4046 11.4046 11.4046 11.4159 11.4159 11.4159 11.4159 11.8320 11.8320 11.8320 11.8320 13.8263 13.8263 k = 0.0426 0.0246 0.3217 ( 3160 PWs) bands (ev): -52.5865 -52.5865 -52.5865 -52.5865 -27.0200 -27.0200 -27.0200 -27.0200 -26.2048 -26.2048 -26.2048 -26.2048 -26.1873 -26.1873 -26.1873 -26.1873 -1.2186 -1.2186 -1.2186 -1.2186 7.4211 7.4211 7.4211 7.4211 8.6606 8.6606 8.6606 8.6606 8.9817 8.9817 8.9817 8.9817 11.3978 11.3978 11.3978 11.3978 11.4170 11.4170 11.4170 11.4170 11.8480 11.8480 11.8480 11.8480 13.8090 13.8090 k = 0.0532 0.0307 0.3217 ( 3154 PWs) bands (ev): -52.5865 -52.5865 -52.5865 -52.5865 -27.0200 -27.0200 -27.0200 -27.0200 -26.2049 -26.2049 -26.2049 -26.2049 -26.1873 -26.1873 -26.1873 -26.1873 -1.2104 -1.2104 -1.2104 -1.2104 7.4063 7.4063 7.4063 7.4063 8.6516 8.6516 8.6516 8.6516 8.9734 8.9734 8.9734 8.9734 11.3891 11.3891 11.3891 11.3891 11.4185 11.4185 11.4185 11.4185 11.8684 11.8684 11.8684 11.8684 13.7859 13.7859 k = 0.0638 0.0369 0.3217 ( 3150 PWs) bands (ev): -52.5865 -52.5865 -52.5865 -52.5865 -27.0201 -27.0201 -27.0201 -27.0201 -26.2051 -26.2051 -26.2051 -26.2051 -26.1873 -26.1873 -26.1873 -26.1873 -1.2004 -1.2004 -1.2004 -1.2004 7.3879 7.3879 7.3879 7.3879 8.6409 8.6409 8.6409 8.6409 8.9638 8.9638 8.9638 8.9638 11.3783 11.3783 11.3783 11.3783 11.4204 11.4204 11.4204 11.4204 11.8928 11.8928 11.8928 11.8928 13.7570 13.7570 k = 0.0745 0.0430 0.3217 ( 3144 PWs) bands (ev): -52.5865 -52.5865 -52.5865 -52.5865 -27.0202 -27.0202 -27.0202 -27.0202 -26.2052 -26.2052 -26.2052 -26.2052 -26.1873 -26.1873 -26.1873 -26.1873 -1.1887 -1.1887 -1.1887 -1.1887 7.3659 7.3659 7.3659 7.3659 8.6286 8.6286 8.6286 8.6286 8.9531 8.9531 8.9531 8.9531 11.3654 11.3654 11.3654 11.3654 11.4229 11.4229 11.4229 11.4229 11.9210 11.9210 11.9210 11.9210 13.7223 13.7223 k = 0.0851 0.0491 0.3217 ( 3136 PWs) bands (ev): -52.5865 -52.5865 -52.5865 -52.5865 -27.0202 -27.0202 -27.0202 -27.0202 -26.2054 -26.2054 -26.2054 -26.2054 -26.1873 -26.1873 -26.1873 -26.1873 -1.1751 -1.1751 -1.1751 -1.1751 7.3401 7.3401 7.3401 7.3401 8.6151 8.6151 8.6151 8.6151 8.9417 8.9417 8.9417 8.9417 11.3506 11.3506 11.3506 11.3506 11.4260 11.4260 11.4260 11.4260 11.9526 11.9526 11.9526 11.9526 13.6825 13.6825 k = 0.0957 0.0553 0.3217 ( 3130 PWs) bands (ev): -52.5864 -52.5864 -52.5864 -52.5864 -27.0203 -27.0203 -27.0203 -27.0203 -26.2056 -26.2056 -26.2056 -26.2056 -26.1873 -26.1873 -26.1873 -26.1873 -1.1599 -1.1599 -1.1599 -1.1599 7.3104 7.3104 7.3104 7.3104 8.6005 8.6005 8.6005 8.6005 8.9298 8.9298 8.9298 8.9298 11.3339 11.3339 11.3339 11.3339 11.4296 11.4296 11.4296 11.4296 11.9873 11.9873 11.9873 11.9873 13.6385 13.6385 k = 0.1064 0.0614 0.3217 ( 3134 PWs) bands (ev): -52.5864 -52.5864 -52.5864 -52.5864 -27.0204 -27.0204 -27.0204 -27.0204 -26.2058 -26.2058 -26.2058 -26.2058 -26.1873 -26.1873 -26.1873 -26.1873 -1.1430 -1.1430 -1.1430 -1.1430 7.2768 7.2768 7.2768 7.2768 8.5851 8.5851 8.5851 8.5851 8.9174 8.9174 8.9174 8.9174 11.3154 11.3154 11.3154 11.3154 11.4340 11.4340 11.4340 11.4340 12.0245 12.0245 12.0245 12.0245 13.5916 13.5916 k = 0.1170 0.0676 0.3217 ( 3128 PWs) bands (ev): -52.5864 -52.5864 -52.5864 -52.5864 -27.0205 -27.0205 -27.0205 -27.0205 -26.2060 -26.2060 -26.2060 -26.2060 -26.1873 -26.1873 -26.1873 -26.1873 -1.1245 -1.1245 -1.1245 -1.1245 7.2392 7.2392 7.2392 7.2392 8.5692 8.5692 8.5692 8.5692 8.9048 8.9048 8.9048 8.9048 11.2953 11.2953 11.2953 11.2953 11.4391 11.4391 11.4391 11.4391 12.0639 12.0639 12.0639 12.0639 13.5428 13.5428 k = 0.1277 0.0737 0.3217 ( 3118 PWs) bands (ev): -52.5864 -52.5864 -52.5864 -52.5864 -27.0206 -27.0206 -27.0206 -27.0206 -26.2062 -26.2062 -26.2062 -26.2062 -26.1873 -26.1873 -26.1873 -26.1873 -1.1044 -1.1044 -1.1044 -1.1044 7.1977 7.1977 7.1977 7.1977 8.5530 8.5530 8.5530 8.5530 8.8920 8.8920 8.8920 8.8920 11.2738 11.2738 11.2738 11.2738 11.4451 11.4451 11.4451 11.4451 12.1049 12.1049 12.1049 12.1049 13.4935 13.4935 k = 0.1383 0.0798 0.3217 ( 3118 PWs) bands (ev): -52.5863 -52.5863 -52.5863 -52.5863 -27.0208 -27.0208 -27.0208 -27.0208 -26.2065 -26.2065 -26.2065 -26.2065 -26.1873 -26.1873 -26.1873 -26.1873 -1.0828 -1.0828 -1.0828 -1.0828 7.1523 7.1523 7.1523 7.1523 8.5368 8.5368 8.5368 8.5368 8.8792 8.8792 8.8792 8.8792 11.2511 11.2511 11.2511 11.2511 11.4519 11.4519 11.4519 11.4519 12.1470 12.1470 12.1470 12.1470 13.4446 13.4446 k = 0.1489 0.0860 0.3217 ( 3122 PWs) bands (ev): -52.5863 -52.5863 -52.5863 -52.5863 -27.0209 -27.0209 -27.0209 -27.0209 -26.2067 -26.2067 -26.2067 -26.2067 -26.1874 -26.1874 -26.1874 -26.1874 -1.0596 -1.0596 -1.0596 -1.0596 7.1032 7.1032 7.1032 7.1032 8.5207 8.5207 8.5207 8.5207 8.8665 8.8665 8.8665 8.8665 11.2273 11.2273 11.2273 11.2273 11.4598 11.4598 11.4598 11.4598 12.1896 12.1896 12.1896 12.1896 13.3972 13.3972 k = 0.1596 0.0921 0.3217 ( 3128 PWs) bands (ev): -52.5863 -52.5863 -52.5863 -52.5863 -27.0210 -27.0210 -27.0210 -27.0210 -26.2070 -26.2070 -26.2070 -26.2070 -26.1874 -26.1874 -26.1874 -26.1874 -1.0351 -1.0351 -1.0351 -1.0351 7.0504 7.0504 7.0504 7.0504 8.5050 8.5050 8.5050 8.5050 8.8537 8.8537 8.8537 8.8537 11.2027 11.2027 11.2027 11.2027 11.4686 11.4686 11.4686 11.4686 12.2319 12.2319 12.2319 12.2319 13.3523 13.3523 k = 0.1702 0.0983 0.3217 ( 3120 PWs) bands (ev): -52.5863 -52.5863 -52.5863 -52.5863 -27.0212 -27.0212 -27.0212 -27.0212 -26.2073 -26.2073 -26.2073 -26.2073 -26.1874 -26.1874 -26.1874 -26.1874 -1.0092 -1.0092 -1.0092 -1.0092 6.9942 6.9942 6.9942 6.9942 8.4895 8.4895 8.4895 8.4895 8.8411 8.8411 8.8411 8.8411 11.1776 11.1776 11.1776 11.1776 11.4785 11.4785 11.4785 11.4785 12.2733 12.2733 12.2733 12.2733 13.3108 13.3108 k = 0.1809 0.1044 0.3217 ( 3124 PWs) bands (ev): -52.5863 -52.5863 -52.5863 -52.5863 -27.0213 -27.0213 -27.0213 -27.0213 -26.2076 -26.2076 -26.2076 -26.2076 -26.1874 -26.1874 -26.1874 -26.1874 -0.9820 -0.9820 -0.9820 -0.9820 6.9350 6.9350 6.9350 6.9350 8.4745 8.4745 8.4745 8.4745 8.8286 8.8286 8.8286 8.8286 11.1522 11.1522 11.1522 11.1522 11.4895 11.4895 11.4895 11.4895 12.3129 12.3129 12.3129 12.3129 13.2736 13.2736 k = 0.1915 0.1106 0.3217 ( 3120 PWs) bands (ev): -52.5862 -52.5862 -52.5862 -52.5862 -27.0215 -27.0215 -27.0215 -27.0215 -26.2079 -26.2079 -26.2079 -26.2079 -26.1874 -26.1874 -26.1874 -26.1874 -0.9536 -0.9536 -0.9536 -0.9536 6.8728 6.8728 6.8728 6.8728 8.4599 8.4599 8.4599 8.4599 8.8162 8.8162 8.8162 8.8162 11.1268 11.1268 11.1268 11.1268 11.5017 11.5017 11.5017 11.5017 12.3498 12.3498 12.3498 12.3498 13.2419 13.2419 k = 0.2021 0.1167 0.3217 ( 3120 PWs) bands (ev): -52.5862 -52.5862 -52.5862 -52.5862 -27.0216 -27.0216 -27.0216 -27.0216 -26.2083 -26.2083 -26.2083 -26.2083 -26.1874 -26.1874 -26.1874 -26.1874 -0.9241 -0.9241 -0.9241 -0.9241 6.8082 6.8082 6.8082 6.8082 8.4457 8.4457 8.4457 8.4457 8.8040 8.8040 8.8040 8.8040 11.1016 11.1016 11.1016 11.1016 11.5150 11.5150 11.5150 11.5150 12.3830 12.3830 12.3830 12.3830 13.2165 13.2165 k = 0.2128 0.1228 0.3217 ( 3116 PWs) bands (ev): -52.5862 -52.5862 -52.5862 -52.5862 -27.0218 -27.0218 -27.0218 -27.0218 -26.2086 -26.2086 -26.2086 -26.2086 -26.1874 -26.1874 -26.1874 -26.1874 -0.8936 -0.8936 -0.8936 -0.8936 6.7413 6.7413 6.7413 6.7413 8.4317 8.4317 8.4317 8.4317 8.7919 8.7919 8.7919 8.7919 11.0770 11.0770 11.0770 11.0770 11.5295 11.5295 11.5295 11.5295 12.4113 12.4113 12.4113 12.4113 13.1985 13.1985 k = 0.2234 0.1290 0.3217 ( 3120 PWs) bands (ev): -52.5861 -52.5861 -52.5861 -52.5861 -27.0219 -27.0219 -27.0219 -27.0219 -26.2089 -26.2089 -26.2089 -26.2089 -26.1874 -26.1874 -26.1874 -26.1874 -0.8621 -0.8621 -0.8621 -0.8621 6.6727 6.6727 6.6727 6.6727 8.4181 8.4181 8.4181 8.4181 8.7800 8.7800 8.7800 8.7800 11.0532 11.0532 11.0532 11.0532 11.5451 11.5451 11.5451 11.5451 12.4338 12.4338 12.4338 12.4338 13.1888 13.1888 k = 0.2340 0.1351 0.3217 ( 3124 PWs) bands (ev): -52.5861 -52.5861 -52.5861 -52.5861 -27.0221 -27.0221 -27.0221 -27.0221 -26.2093 -26.2093 -26.2093 -26.2093 -26.1874 -26.1874 -26.1874 -26.1874 -0.8298 -0.8298 -0.8298 -0.8298 6.6025 6.6025 6.6025 6.6025 8.4047 8.4047 8.4047 8.4047 8.7683 8.7683 8.7683 8.7683 11.0304 11.0304 11.0304 11.0304 11.5620 11.5620 11.5620 11.5620 12.4498 12.4498 12.4498 12.4498 13.1879 13.1879 k = 0.2447 0.1413 0.3217 ( 3122 PWs) bands (ev): -52.5861 -52.5861 -52.5861 -52.5861 -27.0223 -27.0223 -27.0223 -27.0223 -26.2096 -26.2096 -26.2096 -26.2096 -26.1874 -26.1874 -26.1874 -26.1874 -0.7969 -0.7969 -0.7969 -0.7969 6.5313 6.5313 6.5313 6.5313 8.3915 8.3915 8.3915 8.3915 8.7568 8.7568 8.7568 8.7568 11.0089 11.0089 11.0089 11.0089 11.5800 11.5800 11.5800 11.5800 12.4590 12.4590 12.4590 12.4590 13.1959 13.1959 k = 0.2553 0.1474 0.3217 ( 3116 PWs) bands (ev): -52.5860 -52.5860 -52.5860 -52.5860 -27.0224 -27.0224 -27.0224 -27.0224 -26.2100 -26.2100 -26.2100 -26.2100 -26.1874 -26.1874 -26.1874 -26.1874 -0.7633 -0.7633 -0.7633 -0.7633 6.4593 6.4593 6.4593 6.4593 8.3784 8.3784 8.3784 8.3784 8.7455 8.7455 8.7455 8.7455 10.9888 10.9888 10.9888 10.9888 11.5992 11.5992 11.5992 11.5992 12.4618 12.4618 12.4618 12.4618 13.2124 13.2124 k = 0.2660 0.1536 0.3217 ( 3120 PWs) bands (ev): -52.5860 -52.5860 -52.5860 -52.5860 -27.0226 -27.0226 -27.0226 -27.0226 -26.2103 -26.2103 -26.2103 -26.2103 -26.1875 -26.1875 -26.1875 -26.1875 -0.7293 -0.7293 -0.7293 -0.7293 6.3869 6.3869 6.3869 6.3869 8.3655 8.3655 8.3655 8.3655 8.7343 8.7343 8.7343 8.7343 10.9704 10.9704 10.9704 10.9704 11.6194 11.6194 11.6194 11.6194 12.4588 12.4588 12.4588 12.4588 13.2364 13.2364 k = 0.2766 0.1597 0.3217 ( 3120 PWs) bands (ev): -52.5860 -52.5860 -52.5860 -52.5860 -27.0228 -27.0228 -27.0228 -27.0228 -26.2107 -26.2107 -26.2107 -26.2107 -26.1875 -26.1875 -26.1875 -26.1875 -0.6949 -0.6949 -0.6949 -0.6949 6.3145 6.3145 6.3145 6.3145 8.3526 8.3526 8.3526 8.3526 8.7233 8.7233 8.7233 8.7233 10.9538 10.9538 10.9538 10.9538 11.6406 11.6406 11.6406 11.6406 12.4510 12.4510 12.4510 12.4510 13.2667 13.2667 k = 0.2872 0.1658 0.3217 ( 3116 PWs) bands (ev): -52.5860 -52.5860 -52.5860 -52.5860 -27.0229 -27.0229 -27.0229 -27.0229 -26.2110 -26.2110 -26.2110 -26.2110 -26.1875 -26.1875 -26.1875 -26.1875 -0.6604 -0.6604 -0.6604 -0.6604 6.2424 6.2424 6.2424 6.2424 8.3399 8.3399 8.3399 8.3399 8.7124 8.7124 8.7124 8.7124 10.9391 10.9391 10.9391 10.9391 11.6629 11.6629 11.6629 11.6629 12.4394 12.4394 12.4394 12.4394 13.3017 13.3017 k = 0.2979 0.1720 0.3217 ( 3112 PWs) bands (ev): -52.5859 -52.5859 -52.5859 -52.5859 -27.0231 -27.0231 -27.0231 -27.0231 -26.2113 -26.2113 -26.2113 -26.2113 -26.1875 -26.1875 -26.1875 -26.1875 -0.6258 -0.6258 -0.6258 -0.6258 6.1710 6.1710 6.1710 6.1710 8.3272 8.3272 8.3272 8.3272 8.7017 8.7017 8.7017 8.7017 10.9264 10.9264 10.9264 10.9264 11.6860 11.6860 11.6860 11.6860 12.4251 12.4251 12.4251 12.4251 13.3399 13.3399 k = 0.3085 0.1781 0.3217 ( 3110 PWs) bands (ev): -52.5859 -52.5859 -52.5859 -52.5859 -27.0232 -27.0232 -27.0232 -27.0232 -26.2117 -26.2117 -26.2117 -26.2117 -26.1875 -26.1875 -26.1875 -26.1875 -0.5914 -0.5914 -0.5914 -0.5914 6.1006 6.1006 6.1006 6.1006 8.3148 8.3148 8.3148 8.3148 8.6912 8.6912 8.6912 8.6912 10.9157 10.9157 10.9157 10.9157 11.7099 11.7099 11.7099 11.7099 12.4088 12.4088 12.4088 12.4088 13.3785 13.3785 k = 0.3191 0.1843 0.3217 ( 3114 PWs) bands (ev): -52.5859 -52.5859 -52.5859 -52.5859 -27.0234 -27.0234 -27.0234 -27.0234 -26.2120 -26.2120 -26.2120 -26.2120 -26.1875 -26.1875 -26.1875 -26.1875 -0.5573 -0.5573 -0.5573 -0.5573 6.0316 6.0316 6.0316 6.0316 8.3025 8.3025 8.3025 8.3025 8.6808 8.6808 8.6808 8.6808 10.9070 10.9070 10.9070 10.9070 11.7346 11.7346 11.7346 11.7346 12.3913 12.3913 12.3913 12.3913 13.4115 13.4115 k = 0.3298 0.1904 0.3217 ( 3114 PWs) bands (ev): -52.5858 -52.5858 -52.5858 -52.5858 -27.0235 -27.0235 -27.0235 -27.0235 -26.2123 -26.2123 -26.2123 -26.2123 -26.1875 -26.1875 -26.1875 -26.1875 -0.5237 -0.5237 -0.5237 -0.5237 5.9642 5.9642 5.9642 5.9642 8.2905 8.2905 8.2905 8.2905 8.6706 8.6706 8.6706 8.6706 10.9003 10.9003 10.9003 10.9003 11.7598 11.7598 11.7598 11.7598 12.3730 12.3730 12.3730 12.3730 13.4238 13.4238 k = 0.3404 0.1965 0.3217 ( 3118 PWs) bands (ev): -52.5858 -52.5858 -52.5858 -52.5858 -27.0237 -27.0237 -27.0237 -27.0237 -26.2126 -26.2126 -26.2126 -26.2126 -26.1875 -26.1875 -26.1875 -26.1875 -0.4907 -0.4907 -0.4907 -0.4907 5.8989 5.8989 5.8989 5.8989 8.2788 8.2788 8.2788 8.2788 8.6607 8.6607 8.6607 8.6607 10.8955 10.8955 10.8955 10.8955 11.7854 11.7854 11.7854 11.7854 12.3545 12.3545 12.3545 12.3545 13.4101 13.4101 k = 0.3511 0.2027 0.3217 ( 3132 PWs) bands (ev): -52.5858 -52.5858 -52.5858 -52.5858 -27.0238 -27.0238 -27.0238 -27.0238 -26.2129 -26.2129 -26.2129 -26.2129 -26.1875 -26.1875 -26.1875 -26.1875 -0.4586 -0.4586 -0.4586 -0.4586 5.8359 5.8359 5.8359 5.8359 8.2674 8.2674 8.2674 8.2674 8.6510 8.6510 8.6510 8.6510 10.8925 10.8925 10.8925 10.8925 11.8114 11.8114 11.8114 11.8114 12.3360 12.3360 12.3360 12.3360 13.3852 13.3852 k = 0.3617 0.2088 0.3217 ( 3128 PWs) bands (ev): -52.5858 -52.5858 -52.5858 -52.5858 -27.0240 -27.0240 -27.0240 -27.0240 -26.2132 -26.2132 -26.2132 -26.2132 -26.1875 -26.1875 -26.1875 -26.1875 -0.4276 -0.4276 -0.4276 -0.4276 5.7756 5.7756 5.7756 5.7756 8.2565 8.2565 8.2565 8.2565 8.6417 8.6417 8.6417 8.6417 10.8912 10.8912 10.8912 10.8912 11.8374 11.8374 11.8374 11.8374 12.3177 12.3177 12.3177 12.3177 13.3570 13.3570 k = 0.3723 0.2150 0.3217 ( 3132 PWs) bands (ev): -52.5858 -52.5858 -52.5858 -52.5858 -27.0241 -27.0241 -27.0241 -27.0241 -26.2134 -26.2134 -26.2134 -26.2134 -26.1875 -26.1875 -26.1875 -26.1875 -0.3978 -0.3978 -0.3978 -0.3978 5.7183 5.7183 5.7183 5.7183 8.2461 8.2461 8.2461 8.2461 8.6327 8.6327 8.6327 8.6327 10.8913 10.8913 10.8913 10.8913 11.8634 11.8634 11.8634 11.8634 12.3000 12.3000 12.3000 12.3000 13.3277 13.3277 k = 0.3830 0.2211 0.3217 ( 3132 PWs) bands (ev): -52.5857 -52.5857 -52.5857 -52.5857 -27.0242 -27.0242 -27.0242 -27.0242 -26.2137 -26.2137 -26.2137 -26.2137 -26.1875 -26.1875 -26.1875 -26.1875 -0.3694 -0.3694 -0.3694 -0.3694 5.6642 5.6642 5.6642 5.6642 8.2362 8.2362 8.2362 8.2362 8.6241 8.6241 8.6241 8.6241 10.8926 10.8926 10.8926 10.8926 11.8891 11.8891 11.8891 11.8891 12.2830 12.2830 12.2830 12.2830 13.2983 13.2983 k = 0.3936 0.2273 0.3217 ( 3136 PWs) bands (ev): -52.5857 -52.5857 -52.5857 -52.5857 -27.0243 -27.0243 -27.0243 -27.0243 -26.2139 -26.2139 -26.2139 -26.2139 -26.1875 -26.1875 -26.1875 -26.1875 -0.3427 -0.3427 -0.3427 -0.3427 5.6137 5.6137 5.6137 5.6137 8.2269 8.2269 8.2269 8.2269 8.6160 8.6160 8.6160 8.6160 10.8951 10.8951 10.8951 10.8951 11.9142 11.9142 11.9142 11.9142 12.2669 12.2669 12.2669 12.2669 13.2695 13.2695 k = 0.4043 0.2334 0.3217 ( 3144 PWs) bands (ev): -52.5857 -52.5857 -52.5857 -52.5857 -27.0244 -27.0244 -27.0244 -27.0244 -26.2141 -26.2141 -26.2141 -26.2141 -26.1875 -26.1875 -26.1875 -26.1875 -0.3178 -0.3178 -0.3178 -0.3178 5.5671 5.5671 5.5671 5.5671 8.2184 8.2184 8.2184 8.2184 8.6084 8.6084 8.6084 8.6084 10.8983 10.8983 10.8983 10.8983 11.9385 11.9385 11.9385 11.9385 12.2518 12.2518 12.2518 12.2518 13.2417 13.2417 k = 0.4149 0.2395 0.3217 ( 3144 PWs) bands (ev): -52.5857 -52.5857 -52.5857 -52.5857 -27.0245 -27.0245 -27.0245 -27.0245 -26.2143 -26.2143 -26.2143 -26.2143 -26.1875 -26.1875 -26.1875 -26.1875 -0.2950 -0.2950 -0.2950 -0.2950 5.5245 5.5245 5.5245 5.5245 8.2105 8.2105 8.2105 8.2105 8.6015 8.6015 8.6015 8.6015 10.9020 10.9020 10.9020 10.9020 11.9616 11.9616 11.9616 11.9616 12.2378 12.2378 12.2378 12.2378 13.2153 13.2153 k = 0.4255 0.2457 0.3217 ( 3134 PWs) bands (ev): -52.5857 -52.5857 -52.5857 -52.5857 -27.0246 -27.0246 -27.0246 -27.0246 -26.2145 -26.2145 -26.2145 -26.2145 -26.1875 -26.1875 -26.1875 -26.1875 -0.2743 -0.2743 -0.2743 -0.2743 5.4864 5.4864 5.4864 5.4864 8.2035 8.2035 8.2035 8.2035 8.5952 8.5952 8.5952 8.5952 10.9061 10.9061 10.9061 10.9061 11.9833 11.9833 11.9833 11.9833 12.2252 12.2252 12.2252 12.2252 13.1907 13.1907 k = 0.4362 0.2518 0.3217 ( 3134 PWs) bands (ev): -52.5857 -52.5857 -52.5857 -52.5857 -27.0246 -27.0246 -27.0246 -27.0246 -26.2146 -26.2146 -26.2146 -26.2146 -26.1875 -26.1875 -26.1875 -26.1875 -0.2560 -0.2560 -0.2560 -0.2560 5.4528 5.4528 5.4528 5.4528 8.1973 8.1973 8.1973 8.1973 8.5896 8.5896 8.5896 8.5896 10.9103 10.9103 10.9103 10.9103 12.0031 12.0031 12.0031 12.0031 12.2140 12.2140 12.2140 12.2140 13.1681 13.1681 k = 0.4468 0.2580 0.3217 ( 3148 PWs) bands (ev): -52.5857 -52.5857 -52.5857 -52.5857 -27.0247 -27.0247 -27.0247 -27.0247 -26.2147 -26.2147 -26.2147 -26.2147 -26.1875 -26.1875 -26.1875 -26.1875 -0.2402 -0.2402 -0.2402 -0.2402 5.4240 5.4240 5.4240 5.4240 8.1920 8.1920 8.1920 8.1920 8.5848 8.5848 8.5848 8.5848 10.9142 10.9142 10.9142 10.9142 12.0207 12.0207 12.0207 12.0207 12.2043 12.2043 12.2043 12.2043 13.1482 13.1482 k = 0.4574 0.2641 0.3217 ( 3136 PWs) bands (ev): -52.5857 -52.5857 -52.5857 -52.5857 -27.0248 -27.0248 -27.0248 -27.0248 -26.2148 -26.2148 -26.2148 -26.2148 -26.1875 -26.1875 -26.1875 -26.1875 -0.2272 -0.2272 -0.2272 -0.2272 5.4002 5.4002 5.4002 5.4002 8.1876 8.1876 8.1876 8.1876 8.5808 8.5808 8.5808 8.5808 10.9178 10.9178 10.9178 10.9178 12.0357 12.0357 12.0357 12.0357 12.1962 12.1962 12.1962 12.1962 13.1312 13.1312 k = 0.4681 0.2702 0.3217 ( 3132 PWs) bands (ev): -52.5856 -52.5856 -52.5856 -52.5856 -27.0248 -27.0248 -27.0248 -27.0248 -26.2149 -26.2149 -26.2149 -26.2149 -26.1875 -26.1875 -26.1875 -26.1875 -0.2168 -0.2168 -0.2168 -0.2168 5.3815 5.3815 5.3815 5.3815 8.1842 8.1842 8.1842 8.1842 8.5776 8.5776 8.5776 8.5776 10.9208 10.9208 10.9208 10.9208 12.0477 12.0477 12.0477 12.0477 12.1900 12.1900 12.1900 12.1900 13.1175 13.1175 k = 0.4787 0.2764 0.3217 ( 3124 PWs) bands (ev): -52.5856 -52.5856 -52.5856 -52.5856 -27.0248 -27.0248 -27.0248 -27.0248 -26.2150 -26.2150 -26.2150 -26.2150 -26.1875 -26.1875 -26.1875 -26.1875 -0.2094 -0.2094 -0.2094 -0.2094 5.3681 5.3681 5.3681 5.3681 8.1817 8.1817 8.1817 8.1817 8.5754 8.5754 8.5754 8.5754 10.9231 10.9231 10.9231 10.9231 12.0566 12.0566 12.0566 12.0566 12.1854 12.1854 12.1854 12.1854 13.1075 13.1075 k = 0.4894 0.2825 0.3217 ( 3128 PWs) bands (ev): -52.5856 -52.5856 -52.5856 -52.5856 -27.0248 -27.0248 -27.0248 -27.0248 -26.2150 -26.2150 -26.2150 -26.2150 -26.1875 -26.1875 -26.1875 -26.1875 -0.2049 -0.2049 -0.2049 -0.2049 5.3600 5.3600 5.3600 5.3600 8.1802 8.1802 8.1802 8.1802 8.5740 8.5740 8.5740 8.5740 10.9245 10.9245 10.9245 10.9245 12.0620 12.0620 12.0620 12.0620 12.1827 12.1827 12.1827 12.1827 13.1013 13.1013 k = 0.5000 0.2887 0.3217 ( 3124 PWs) bands (ev): -52.5856 -52.5856 -52.5856 -52.5856 -27.0248 -27.0248 -27.0248 -27.0248 -26.2150 -26.2150 -26.2150 -26.2150 -26.1875 -26.1875 -26.1875 -26.1875 -0.2034 -0.2034 -0.2034 -0.2034 5.3573 5.3573 5.3573 5.3573 8.1797 8.1797 8.1797 8.1797 8.5735 8.5735 8.5735 8.5735 10.9250 10.9250 10.9250 10.9250 12.0638 12.0638 12.0638 12.0638 12.1818 12.1818 12.1818 12.1818 13.0993 13.0993 k = 0.5000 0.2887 0.3217 ( 3124 PWs) bands (ev): -52.5856 -52.5856 -52.5856 -52.5856 -27.0248 -27.0248 -27.0248 -27.0248 -26.2150 -26.2150 -26.2150 -26.2150 -26.1875 -26.1875 -26.1875 -26.1875 -0.2034 -0.2034 -0.2034 -0.2034 5.3573 5.3573 5.3573 5.3573 8.1797 8.1797 8.1797 8.1797 8.5735 8.5735 8.5735 8.5735 10.9250 10.9250 10.9250 10.9250 12.0638 12.0638 12.0638 12.0638 12.1818 12.1818 12.1818 12.1818 13.0993 13.0993 k = 0.4938 0.2994 0.3217 ( 3124 PWs) bands (ev): -52.5856 -52.5856 -52.5856 -52.5856 -27.0248 -27.0248 -27.0248 -27.0248 -26.2150 -26.2150 -26.2150 -26.2150 -26.1875 -26.1875 -26.1875 -26.1875 -0.2032 -0.2032 -0.2029 -0.2029 5.3579 5.3579 5.3592 5.3592 8.1615 8.1615 8.1891 8.1891 8.5600 8.5600 8.5855 8.5855 10.9267 10.9267 10.9270 10.9270 12.0636 12.0636 12.0642 12.0642 12.1798 12.1798 12.1811 12.1811 13.0958 13.0967 k = 0.4877 0.3101 0.3217 ( 3128 PWs) bands (ev): -52.5856 -52.5856 -52.5856 -52.5856 -27.0248 -27.0248 -27.0248 -27.0248 -26.2150 -26.2150 -26.2150 -26.2150 -26.1875 -26.1875 -26.1875 -26.1875 -0.2022 -0.2022 -0.2015 -0.2015 5.3610 5.3610 5.3637 5.3637 8.1352 8.1352 8.1889 8.1889 8.5460 8.5460 8.5955 8.5955 10.9321 10.9321 10.9328 10.9328 12.0636 12.0636 12.0649 12.0649 12.1752 12.1752 12.1777 12.1777 13.0847 13.0850 k = 0.4815 0.3208 0.3217 ( 3132 PWs) bands (ev): -52.5856 -52.5856 -52.5856 -52.5856 -27.0249 -27.0249 -27.0249 -27.0249 -26.2151 -26.2151 -26.2151 -26.2151 -26.1875 -26.1875 -26.1875 -26.1875 -0.2004 -0.2004 -0.1994 -0.1994 5.3667 5.3667 5.3707 5.3707 8.1012 8.1012 8.1782 8.1782 8.5325 8.5325 8.6031 8.6031 10.9411 10.9411 10.9422 10.9422 12.0639 12.0639 12.0658 12.0658 12.1681 12.1681 12.1717 12.1717 13.0691 13.0691 k = 0.4753 0.3314 0.3217 ( 3136 PWs) bands (ev): -52.5856 -52.5856 -52.5856 -52.5856 -27.0249 -27.0249 -27.0249 -27.0249 -26.2151 -26.2151 -26.2151 -26.2151 -26.1875 -26.1875 -26.1875 -26.1875 -0.1979 -0.1979 -0.1966 -0.1966 5.3749 5.3749 5.3803 5.3803 8.0600 8.0600 8.1565 8.1565 8.5206 8.5206 8.6085 8.6085 10.9533 10.9533 10.9548 10.9548 12.0645 12.0645 12.0671 12.0671 12.1586 12.1586 12.1632 12.1632 13.0495 13.0497 k = 0.4691 0.3421 0.3217 ( 3136 PWs) bands (ev): -52.5856 -52.5856 -52.5856 -52.5856 -27.0249 -27.0249 -27.0249 -27.0249 -26.2151 -26.2151 -26.2151 -26.2151 -26.1875 -26.1875 -26.1875 -26.1875 -0.1947 -0.1947 -0.1930 -0.1930 5.3855 5.3855 5.3925 5.3925 8.0120 8.0120 8.1238 8.1238 8.5109 8.5109 8.6119 8.6119 10.9686 10.9686 10.9703 10.9703 12.0654 12.0654 12.0689 12.0689 12.1471 12.1471 12.1523 12.1523 13.0271 13.0271 k = 0.4630 0.3528 0.3217 ( 3134 PWs) bands (ev): -52.5856 -52.5856 -52.5856 -52.5856 -27.0249 -27.0249 -27.0249 -27.0249 -26.2151 -26.2151 -26.2151 -26.2151 -26.1875 -26.1875 -26.1875 -26.1875 -0.1907 -0.1907 -0.1888 -0.1888 5.3985 5.3985 5.4071 5.4071 7.9576 7.9576 8.0808 8.0808 8.5034 8.5034 8.6135 8.6135 10.9865 10.9865 10.9884 10.9884 12.0666 12.0666 12.0713 12.0713 12.1340 12.1340 12.1392 12.1392 13.0031 13.0031 k = 0.4568 0.3635 0.3217 ( 3130 PWs) bands (ev): -52.5856 -52.5856 -52.5856 -52.5856 -27.0249 -27.0249 -27.0249 -27.0249 -26.2151 -26.2151 -26.2151 -26.2151 -26.1876 -26.1876 -26.1875 -26.1875 -0.1861 -0.1861 -0.1838 -0.1838 5.4139 5.4139 5.4243 5.4243 7.8971 7.8971 8.0286 8.0286 8.4978 8.4978 8.6137 8.6137 11.0066 11.0066 11.0087 11.0087 12.0675 12.0675 12.0741 12.0741 12.1202 12.1202 12.1245 12.1245 12.9784 12.9784 k = 0.4506 0.3742 0.3217 ( 3122 PWs) bands (ev): -52.5856 -52.5856 -52.5856 -52.5856 -27.0249 -27.0249 -27.0249 -27.0249 -26.2152 -26.2152 -26.2152 -26.2152 -26.1876 -26.1876 -26.1876 -26.1876 -0.1809 -0.1809 -0.1783 -0.1783 5.4316 5.4316 5.4441 5.4441 7.8313 7.8313 7.9686 7.9686 8.4936 8.4936 8.6127 8.6127 11.0286 11.0286 11.0308 11.0308 12.0661 12.0661 12.0763 12.0763 12.1082 12.1082 12.1096 12.1096 12.9534 12.9534 k = 0.4444 0.3849 0.3217 ( 3114 PWs) bands (ev): -52.5856 -52.5856 -52.5856 -52.5856 -27.0250 -27.0250 -27.0250 -27.0250 -26.2152 -26.2152 -26.2152 -26.2152 -26.1876 -26.1876 -26.1876 -26.1876 -0.1751 -0.1751 -0.1722 -0.1722 5.4516 5.4516 5.4663 5.4663 7.7605 7.7605 7.9020 7.9020 8.4904 8.4904 8.6109 8.6109 11.0520 11.0520 11.0542 11.0542 12.0583 12.0583 12.0730 12.0730 12.0997 12.0997 12.1023 12.1023 12.9287 12.9287 k = 0.4383 0.3956 0.3217 ( 3122 PWs) bands (ev): -52.5856 -52.5856 -52.5856 -52.5856 -27.0250 -27.0250 -27.0250 -27.0250 -26.2152 -26.2152 -26.2152 -26.2152 -26.1877 -26.1877 -26.1876 -26.1876 -0.1687 -0.1687 -0.1656 -0.1656 5.4738 5.4738 5.4909 5.4909 7.6854 7.6854 7.8302 7.8302 8.4878 8.4878 8.6085 8.6085 11.0765 11.0765 11.0786 11.0786 12.0430 12.0430 12.0583 12.0583 12.1012 12.1012 12.1042 12.1042 12.9043 12.9043 k = 0.4321 0.4063 0.3217 ( 3122 PWs) bands (ev): -52.5856 -52.5856 -52.5856 -52.5856 -27.0250 -27.0250 -27.0250 -27.0250 -26.2153 -26.2153 -26.2153 -26.2153 -26.1877 -26.1877 -26.1877 -26.1877 -0.1620 -0.1620 -0.1585 -0.1585 5.4981 5.4981 5.5180 5.5180 7.6068 7.6068 7.7542 7.7542 8.4856 8.4856 8.6056 8.6056 11.1017 11.1017 11.1037 11.1037 12.0233 12.0233 12.0380 12.0380 12.1086 12.1086 12.1111 12.1111 12.8804 12.8804 k = 0.4259 0.4170 0.3217 ( 3118 PWs) bands (ev): -52.5856 -52.5856 -52.5856 -52.5856 -27.0251 -27.0251 -27.0251 -27.0251 -26.2153 -26.2153 -26.2153 -26.2153 -26.1877 -26.1877 -26.1877 -26.1877 -0.1548 -0.1548 -0.1511 -0.1511 5.5243 5.5243 5.5474 5.5474 7.5252 7.5252 7.6752 7.6752 8.4835 8.4835 8.6024 8.6024 11.1274 11.1274 11.1292 11.1292 12.0012 12.0012 12.0154 12.0154 12.1189 12.1189 12.1211 12.1211 12.8569 12.8569 k = 0.4198 0.4277 0.3217 ( 3118 PWs) bands (ev): -52.5856 -52.5856 -52.5856 -52.5856 -27.0251 -27.0251 -27.0251 -27.0251 -26.2154 -26.2154 -26.2153 -26.2153 -26.1878 -26.1878 -26.1877 -26.1877 -0.1473 -0.1473 -0.1434 -0.1434 5.5524 5.5524 5.5791 5.5791 7.4413 7.4413 7.5941 7.5941 8.4815 8.4815 8.5991 8.5991 11.1534 11.1534 11.1548 11.1548 11.9778 11.9778 11.9916 11.9916 12.1315 12.1315 12.1338 12.1338 12.8337 12.8337 k = 0.4136 0.4384 0.3217 ( 3118 PWs) bands (ev): -52.5856 -52.5856 -52.5856 -52.5856 -27.0251 -27.0251 -27.0251 -27.0251 -26.2154 -26.2154 -26.2154 -26.2154 -26.1878 -26.1878 -26.1877 -26.1877 -0.1397 -0.1397 -0.1355 -0.1355 5.5822 5.5822 5.6132 5.6132 7.3559 7.3559 7.5118 7.5118 8.4795 8.4795 8.5957 8.5957 11.1793 11.1793 11.1804 11.1804 11.9535 11.9535 11.9669 11.9669 12.1461 12.1461 12.1486 12.1486 12.8108 12.8108 k = 0.4074 0.4491 0.3217 ( 3122 PWs) bands (ev): -52.5856 -52.5856 -52.5856 -52.5856 -27.0252 -27.0252 -27.0252 -27.0252 -26.2155 -26.2155 -26.2154 -26.2154 -26.1878 -26.1878 -26.1878 -26.1878 -0.1318 -0.1318 -0.1274 -0.1274 5.6135 5.6135 5.6493 5.6493 7.2694 7.2694 7.4292 7.4292 8.4775 8.4775 8.5923 8.5923 11.2051 11.2051 11.2057 11.2057 11.9287 11.9287 11.9416 11.9416 12.1628 12.1628 12.1657 12.1657 12.7880 12.7880 k = 0.4012 0.4597 0.3217 ( 3118 PWs) bands (ev): -52.5856 -52.5856 -52.5856 -52.5856 -27.0252 -27.0252 -27.0252 -27.0252 -26.2155 -26.2155 -26.2155 -26.2155 -26.1879 -26.1879 -26.1878 -26.1878 -0.1240 -0.1240 -0.1193 -0.1193 5.6460 5.6460 5.6876 5.6876 7.1826 7.1826 7.3470 7.3470 8.4756 8.4756 8.5890 8.5890 11.2305 11.2305 11.2307 11.2307 11.9035 11.9035 11.9160 11.9160 12.1813 12.1813 12.1848 12.1848 12.7651 12.7651 k = 0.3951 0.4704 0.3217 ( 3118 PWs) bands (ev): -52.5855 -52.5855 -52.5855 -52.5855 -27.0252 -27.0252 -27.0252 -27.0252 -26.2156 -26.2156 -26.2155 -26.2155 -26.1879 -26.1879 -26.1878 -26.1878 -0.1161 -0.1161 -0.1113 -0.1113 5.6794 5.6794 5.7279 5.7279 7.0960 7.0960 7.2663 7.2663 8.4736 8.4736 8.5857 8.5857 11.2552 11.2552 11.2555 11.2555 11.8782 11.8782 11.8903 11.8903 12.2018 12.2018 12.2058 12.2058 12.7420 12.7420 k = 0.3889 0.4811 0.3217 ( 3122 PWs) bands (ev): -52.5855 -52.5855 -52.5855 -52.5855 -27.0253 -27.0253 -27.0253 -27.0253 -26.2156 -26.2156 -26.2156 -26.2156 -26.1879 -26.1879 -26.1879 -26.1879 -0.1085 -0.1085 -0.1035 -0.1035 5.7135 5.7135 5.7699 5.7699 7.0104 7.0104 7.1877 7.1877 8.4717 8.4717 8.5827 8.5827 11.2790 11.2790 11.2799 11.2799 11.8530 11.8530 11.8647 11.8647 12.2240 12.2240 12.2287 12.2287 12.7185 12.7185 k = 0.3827 0.4918 0.3217 ( 3122 PWs) bands (ev): -52.5855 -52.5855 -52.5855 -52.5855 -27.0253 -27.0253 -27.0253 -27.0253 -26.2157 -26.2157 -26.2156 -26.2156 -26.1880 -26.1880 -26.1879 -26.1879 -0.1012 -0.1012 -0.0959 -0.0959 5.7476 5.7476 5.8136 5.8136 6.9263 6.9263 7.1124 7.1124 8.4698 8.4698 8.5799 8.5799 11.3021 11.3021 11.3036 11.3036 11.8282 11.8282 11.8395 11.8395 12.2478 12.2478 12.2532 12.2532 12.6946 12.6946 k = 0.3765 0.5025 0.3217 ( 3126 PWs) bands (ev): -52.5855 -52.5855 -52.5855 -52.5855 -27.0253 -27.0253 -27.0253 -27.0253 -26.2157 -26.2157 -26.2156 -26.2156 -26.1880 -26.1880 -26.1879 -26.1879 -0.0942 -0.0942 -0.0888 -0.0888 5.7813 5.7813 5.8587 5.8587 6.8445 6.8445 7.0412 7.0412 8.4680 8.4680 8.5773 8.5773 11.3242 11.3242 11.3263 11.3263 11.8041 11.8041 11.8150 11.8150 12.2731 12.2731 12.2792 12.2792 12.6702 12.6702 k = 0.3704 0.5132 0.3217 ( 3126 PWs) bands (ev): -52.5855 -52.5855 -52.5855 -52.5855 -27.0254 -27.0254 -27.0253 -27.0253 -26.2157 -26.2157 -26.2157 -26.2157 -26.1880 -26.1880 -26.1879 -26.1879 -0.0878 -0.0878 -0.0822 -0.0822 5.8138 5.8138 5.9047 5.9047 6.7657 6.7657 6.9753 6.9753 8.4664 8.4664 8.5749 8.5749 11.3452 11.3452 11.3478 11.3478 11.7810 11.7810 11.7914 11.7914 12.2997 12.2997 12.3065 12.3065 12.6451 12.6451 k = 0.3642 0.5239 0.3217 ( 3126 PWs) bands (ev): -52.5855 -52.5855 -52.5855 -52.5855 -27.0254 -27.0254 -27.0254 -27.0254 -26.2158 -26.2158 -26.2157 -26.2157 -26.1880 -26.1880 -26.1879 -26.1879 -0.0820 -0.0820 -0.0763 -0.0763 5.8441 5.8441 5.9510 5.9510 6.6908 6.6908 6.9160 6.9160 8.4649 8.4649 8.5729 8.5729 11.3647 11.3647 11.3679 11.3679 11.7594 11.7594 11.7694 11.7694 12.3274 12.3274 12.3348 12.3348 12.6194 12.6194 k = 0.3580 0.5346 0.3217 ( 3126 PWs) bands (ev): -52.5855 -52.5855 -52.5855 -52.5855 -27.0254 -27.0254 -27.0254 -27.0254 -26.2158 -26.2158 -26.2158 -26.2158 -26.1880 -26.1880 -26.1880 -26.1880 -0.0769 -0.0769 -0.0712 -0.0712 5.8712 5.8712 5.9966 5.9966 6.6213 6.6213 6.8646 6.8646 8.4637 8.4637 8.5712 8.5712 11.3823 11.3823 11.3860 11.3860 11.7399 11.7399 11.7495 11.7495 12.3561 12.3561 12.3639 12.3639 12.5928 12.5928 k = 0.3519 0.5453 0.3217 ( 3130 PWs) bands (ev): -52.5855 -52.5855 -52.5855 -52.5855 -27.0254 -27.0254 -27.0254 -27.0254 -26.2158 -26.2158 -26.2158 -26.2158 -26.1880 -26.1880 -26.1880 -26.1880 -0.0728 -0.0728 -0.0670 -0.0670 5.8938 5.8938 6.0397 6.0397 6.5592 6.5592 6.8226 6.8226 8.4626 8.4626 8.5699 8.5699 11.3974 11.3974 11.4014 11.4014 11.7231 11.7231 11.7324 11.7324 12.3854 12.3854 12.3933 12.3933 12.5655 12.5655 k = 0.3457 0.5560 0.3217 ( 3134 PWs) bands (ev): -52.5855 -52.5855 -52.5855 -52.5855 -27.0254 -27.0254 -27.0254 -27.0254 -26.2159 -26.2159 -26.2158 -26.2158 -26.1881 -26.1881 -26.1880 -26.1880 -0.0697 -0.0697 -0.0638 -0.0638 5.9109 5.9109 6.0772 6.0772 6.5078 6.5078 6.7916 6.7916 8.4619 8.4619 8.5689 8.5689 11.4091 11.4091 11.4134 11.4134 11.7101 11.7101 11.7191 11.7191 12.4151 12.4151 12.4225 12.4225 12.5375 12.5375 k = 0.3395 0.5667 0.3217 ( 3142 PWs) bands (ev): -52.5855 -52.5855 -52.5855 -52.5855 -27.0254 -27.0254 -27.0254 -27.0254 -26.2159 -26.2159 -26.2158 -26.2158 -26.1881 -26.1881 -26.1880 -26.1880 -0.0678 -0.0678 -0.0619 -0.0619 5.9213 5.9213 6.1040 6.1040 6.4726 6.4726 6.7726 6.7726 8.4614 8.4614 8.5683 8.5683 11.4165 11.4165 11.4211 11.4211 11.7018 11.7018 11.7106 11.7106 12.4445 12.4445 12.4493 12.4493 12.5093 12.5093 k = 0.3333 0.5774 0.3217 ( 3132 PWs) bands (ev): -52.5855 -52.5855 -52.5855 -52.5855 -27.0254 -27.0254 -27.0254 -27.0254 -26.2159 -26.2159 -26.2158 -26.2158 -26.1881 -26.1881 -26.1880 -26.1880 -0.0671 -0.0671 -0.0612 -0.0612 5.9248 5.9248 6.1138 6.1138 6.4599 6.4599 6.7662 6.7662 8.4612 8.4612 8.5681 8.5681 11.4191 11.4191 11.4238 11.4238 11.6989 11.6989 11.7076 11.7076 12.4638 12.4639 12.4657 12.4657 12.4885 12.4885 k = 0.3333 0.5774 0.3217 ( 3132 PWs) bands (ev): -52.5855 -52.5855 -52.5855 -52.5855 -27.0254 -27.0254 -27.0254 -27.0254 -26.2159 -26.2159 -26.2158 -26.2158 -26.1881 -26.1881 -26.1880 -26.1880 -0.0671 -0.0671 -0.0612 -0.0612 5.9248 5.9248 6.1138 6.1138 6.4599 6.4599 6.7662 6.7662 8.4612 8.4612 8.5681 8.5681 11.4191 11.4191 11.4238 11.4238 11.6989 11.6989 11.7076 11.7076 12.4638 12.4638 12.4657 12.4657 12.4885 12.4885 k = 0.3272 0.5667 0.3217 ( 3136 PWs) bands (ev): -52.5855 -52.5855 -52.5855 -52.5855 -27.0254 -27.0254 -27.0254 -27.0254 -26.2159 -26.2159 -26.2158 -26.2158 -26.1881 -26.1881 -26.1880 -26.1880 -0.0678 -0.0678 -0.0619 -0.0619 5.9215 5.9215 6.1044 6.1044 6.4722 6.4722 6.7724 6.7724 8.4614 8.4614 8.5683 8.5683 11.4165 11.4165 11.4211 11.4211 11.7018 11.7018 11.7106 11.7106 12.4441 12.4441 12.4490 12.4490 12.5097 12.5097 k = 0.3210 0.5560 0.3217 ( 3134 PWs) bands (ev): -52.5855 -52.5855 -52.5855 -52.5855 -27.0254 -27.0254 -27.0254 -27.0254 -26.2158 -26.2158 -26.2158 -26.2158 -26.1881 -26.1881 -26.1880 -26.1880 -0.0700 -0.0700 -0.0641 -0.0641 5.9126 5.9126 6.0805 6.0805 6.5049 6.5049 6.7902 6.7902 8.4619 8.4619 8.5689 8.5689 11.4093 11.4093 11.4136 11.4136 11.7101 11.7101 11.7191 11.7191 12.4133 12.4133 12.4207 12.4207 12.5390 12.5390 k = 0.3148 0.5453 0.3217 ( 3134 PWs) bands (ev): -52.5855 -52.5855 -52.5855 -52.5855 -27.0254 -27.0254 -27.0254 -27.0254 -26.2158 -26.2158 -26.2158 -26.2158 -26.1880 -26.1880 -26.1880 -26.1880 -0.0738 -0.0738 -0.0680 -0.0680 5.8995 5.8995 6.0491 6.0491 6.5512 6.5512 6.8183 6.8183 8.4628 8.4628 8.5699 8.5699 11.3981 11.3981 11.4021 11.4021 11.7231 11.7231 11.7323 11.7323 12.3811 12.3811 12.3890 12.3890 12.5685 12.5685 k = 0.3086 0.5346 0.3217 ( 3134 PWs) bands (ev): -52.5855 -52.5855 -52.5855 -52.5855 -27.0254 -27.0254 -27.0254 -27.0254 -26.2158 -26.2158 -26.2157 -26.2157 -26.1880 -26.1880 -26.1880 -26.1880 -0.0793 -0.0793 -0.0736 -0.0736 5.8839 5.8839 6.0154 6.0154 6.6058 6.6058 6.8550 6.8550 8.4642 8.4642 8.5714 8.5714 11.3839 11.3839 11.3876 11.3876 11.7397 11.7397 11.7492 11.7492 12.3481 12.3481 12.3558 12.3558 12.5978 12.5978 k = 0.3025 0.5239 0.3217 ( 3126 PWs) bands (ev): -52.5855 -52.5855 -52.5855 -52.5855 -27.0254 -27.0254 -27.0254 -27.0254 -26.2157 -26.2157 -26.2157 -26.2157 -26.1880 -26.1880 -26.1879 -26.1879 -0.0866 -0.0866 -0.0810 -0.0810 5.8672 5.8672 5.9826 5.9826 6.6658 6.6658 6.8989 6.8989 8.4659 8.4659 8.5732 8.5732 11.3678 11.3678 11.3710 11.3710 11.7590 11.7590 11.7690 11.7690 12.3146 12.3146 12.3217 12.3217 12.6264 12.6264 k = 0.2963 0.5132 0.3217 ( 3126 PWs) bands (ev): -52.5855 -52.5855 -52.5855 -52.5855 -27.0253 -27.0253 -27.0253 -27.0253 -26.2157 -26.2157 -26.2156 -26.2156 -26.1880 -26.1880 -26.1879 -26.1879 -0.0957 -0.0957 -0.0902 -0.0902 5.8510 5.8510 5.9523 5.9523 6.7293 6.7293 6.9485 6.9485 8.4680 8.4680 8.5754 8.5754 11.3503 11.3503 11.3531 11.3531 11.7803 11.7803 11.7906 11.7906 12.2809 12.2809 12.2872 12.2872 12.6543 12.6543 k = 0.2901 0.5025 0.3217 ( 3120 PWs) bands (ev): -52.5855 -52.5855 -52.5855 -52.5855 -27.0253 -27.0253 -27.0253 -27.0253 -26.2156 -26.2156 -26.2155 -26.2155 -26.1880 -26.1880 -26.1879 -26.1879 -0.1067 -0.1067 -0.1013 -0.1013 5.8363 5.8363 5.9257 5.9257 6.7953 6.7953 7.0027 7.0027 8.4706 8.4706 8.5780 8.5780 11.3321 11.3321 11.3344 11.3344 11.8026 11.8026 11.8134 11.8134 12.2474 12.2474 12.2527 12.2527 12.6812 12.6812 k = 0.2840 0.4918 0.3217 ( 3116 PWs) bands (ev): -52.5855 -52.5855 -52.5855 -52.5855 -27.0252 -27.0252 -27.0252 -27.0252 -26.2155 -26.2155 -26.2155 -26.2155 -26.1880 -26.1880 -26.1879 -26.1879 -0.1196 -0.1196 -0.1144 -0.1144 5.8240 5.8240 5.9032 5.9032 6.8633 6.8633 7.0606 7.0606 8.4736 8.4736 8.5809 8.5809 11.3137 11.3137 11.3153 11.3153 11.8254 11.8254 11.8365 11.8365 12.2146 12.2146 12.2187 12.2187 12.7072 12.7072 k = 0.2778 0.4811 0.3217 ( 3116 PWs) bands (ev): -52.5856 -52.5856 -52.5856 -52.5856 -27.0252 -27.0252 -27.0252 -27.0252 -26.2154 -26.2154 -26.2154 -26.2154 -26.1879 -26.1879 -26.1879 -26.1879 -0.1344 -0.1344 -0.1294 -0.1294 5.8147 5.8147 5.8854 5.8854 6.9327 6.9327 7.1214 7.1214 8.4771 8.4771 8.5842 8.5842 11.2952 11.2952 11.2963 11.2963 11.8474 11.8474 11.8588 11.8588 12.1834 12.1834 12.1860 12.1860 12.7320 12.7320 k = 0.2716 0.4704 0.3217 ( 3120 PWs) bands (ev): -52.5856 -52.5856 -52.5856 -52.5856 -27.0251 -27.0251 -27.0251 -27.0251 -26.2153 -26.2153 -26.2152 -26.2152 -26.1879 -26.1879 -26.1879 -26.1879 -0.1512 -0.1512 -0.1463 -0.1463 5.8090 5.8090 5.8723 5.8723 7.0031 7.0031 7.1844 7.1844 8.4810 8.4810 8.5878 8.5878 11.2771 11.2771 11.2776 11.2776 11.8675 11.8675 11.8787 11.8787 12.1553 12.1553 12.1561 12.1561 12.7556 12.7556 k = 0.2654 0.4597 0.3217 ( 3116 PWs) bands (ev): -52.5856 -52.5856 -52.5856 -52.5856 -27.0250 -27.0250 -27.0250 -27.0250 -26.2151 -26.2151 -26.2151 -26.2151 -26.1879 -26.1879 -26.1878 -26.1878 -0.1699 -0.1699 -0.1652 -0.1652 5.8071 5.8071 5.8643 5.8643 7.0742 7.0742 7.2491 7.2491 8.4853 8.4853 8.5917 8.5917 11.2593 11.2593 11.2595 11.2595 11.8833 11.8833 11.8939 11.8939 12.1311 12.1311 12.1329 12.1329 12.7780 12.7780 k = 0.2593 0.4491 0.3217 ( 3124 PWs) bands (ev): -52.5856 -52.5856 -52.5856 -52.5856 -27.0250 -27.0250 -27.0250 -27.0250 -26.2150 -26.2150 -26.2150 -26.2150 -26.1879 -26.1879 -26.1878 -26.1878 -0.1904 -0.1904 -0.1859 -0.1859 5.8095 5.8095 5.8612 5.8612 7.1459 7.1459 7.3151 7.3151 8.4901 8.4901 8.5958 8.5958 11.2416 11.2416 11.2425 11.2425 11.8916 11.8916 11.9008 11.9008 12.1142 12.1142 12.1195 12.1195 12.7990 12.7990 k = 0.2531 0.4384 0.3217 ( 3126 PWs) bands (ev): -52.5856 -52.5856 -52.5856 -52.5856 -27.0249 -27.0249 -27.0249 -27.0249 -26.2148 -26.2148 -26.2148 -26.2148 -26.1879 -26.1879 -26.1878 -26.1878 -0.2127 -0.2127 -0.2085 -0.2085 5.8161 5.8161 5.8632 5.8632 7.2178 7.2178 7.3817 7.3817 8.4954 8.4954 8.6001 8.6001 11.2247 11.2247 11.2263 11.2263 11.8894 11.8894 11.8966 11.8966 12.1086 12.1086 12.1181 12.1181 12.8186 12.8186 k = 0.2469 0.4277 0.3217 ( 3126 PWs) bands (ev): -52.5856 -52.5856 -52.5856 -52.5856 -27.0248 -27.0248 -27.0248 -27.0248 -26.2146 -26.2146 -26.2146 -26.2146 -26.1878 -26.1878 -26.1878 -26.1878 -0.2368 -0.2368 -0.2327 -0.2327 5.8272 5.8272 5.8701 5.8701 7.2898 7.2898 7.4488 7.4488 8.5011 8.5011 8.6047 8.6047 11.2087 11.2087 11.2111 11.2111 11.8759 11.8759 11.8814 11.8814 12.1150 12.1150 12.1287 12.1287 12.8368 12.8368 k = 0.2407 0.4170 0.3217 ( 3130 PWs) bands (ev): -52.5857 -52.5857 -52.5857 -52.5857 -27.0247 -27.0247 -27.0247 -27.0247 -26.2144 -26.2144 -26.2144 -26.2144 -26.1878 -26.1878 -26.1878 -26.1878 -0.2625 -0.2625 -0.2587 -0.2587 5.8427 5.8427 5.8820 5.8820 7.3615 7.3615 7.5159 7.5159 8.5073 8.5073 8.6094 8.6094 11.1937 11.1937 11.1969 11.1969 11.8536 11.8536 11.8582 11.8582 12.1311 12.1311 12.1484 12.1484 12.8535 12.8535 k = 0.2346 0.4063 0.3217 ( 3130 PWs) bands (ev): -52.5857 -52.5857 -52.5857 -52.5857 -27.0246 -27.0246 -27.0246 -27.0246 -26.2142 -26.2142 -26.2142 -26.2142 -26.1878 -26.1878 -26.1877 -26.1877 -0.2898 -0.2898 -0.2862 -0.2862 5.8625 5.8625 5.8987 5.8987 7.4329 7.4329 7.5827 7.5827 8.5139 8.5139 8.6142 8.6142 11.1798 11.1798 11.1839 11.1839 11.8260 11.8260 11.8302 11.8302 12.1537 12.1537 12.1741 12.1741 12.8685 12.8685 k = 0.2284 0.3956 0.3217 ( 3126 PWs) bands (ev): -52.5857 -52.5857 -52.5857 -52.5857 -27.0244 -27.0244 -27.0244 -27.0244 -26.2140 -26.2140 -26.2140 -26.2140 -26.1878 -26.1878 -26.1877 -26.1877 -0.3185 -0.3185 -0.3151 -0.3151 5.8868 5.8868 5.9200 5.9200 7.5036 7.5036 7.6487 7.6487 8.5211 8.5211 8.6191 8.6191 11.1671 11.1671 11.1721 11.1721 11.7954 11.7954 11.7997 11.7997 12.1801 12.1801 12.2036 12.2036 12.8819 12.8819 k = 0.2222 0.3849 0.3217 ( 3126 PWs) bands (ev): -52.5857 -52.5857 -52.5857 -52.5857 -27.0243 -27.0243 -27.0243 -27.0243 -26.2137 -26.2137 -26.2137 -26.2137 -26.1877 -26.1877 -26.1877 -26.1877 -0.3485 -0.3485 -0.3453 -0.3453 5.9152 5.9152 5.9459 5.9459 7.5735 7.5735 7.7138 7.7138 8.5289 8.5289 8.6241 8.6241 11.1556 11.1556 11.1616 11.1616 11.7635 11.7635 11.7681 11.7681 12.2090 12.2090 12.2355 12.2355 12.8936 12.8936 k = 0.2160 0.3742 0.3217 ( 3124 PWs) bands (ev): -52.5857 -52.5857 -52.5857 -52.5857 -27.0242 -27.0242 -27.0242 -27.0242 -26.2135 -26.2135 -26.2135 -26.2135 -26.1877 -26.1877 -26.1877 -26.1877 -0.3796 -0.3796 -0.3767 -0.3767 5.9477 5.9477 5.9760 5.9760 7.6423 7.6423 7.7775 7.7775 8.5372 8.5372 8.6292 8.6292 11.1455 11.1455 11.1525 11.1525 11.7314 11.7314 11.7364 11.7364 12.2393 12.2393 12.2691 12.2691 12.9034 12.9034 k = 0.2099 0.3635 0.3217 ( 3124 PWs) bands (ev): -52.5858 -52.5858 -52.5858 -52.5858 -27.0241 -27.0241 -27.0240 -27.0240 -26.2132 -26.2132 -26.2132 -26.2132 -26.1877 -26.1877 -26.1877 -26.1877 -0.4118 -0.4118 -0.4091 -0.4091 5.9842 5.9842 6.0103 6.0103 7.7098 7.7098 7.8395 7.8395 8.5461 8.5461 8.6343 8.6343 11.1368 11.1368 11.1447 11.1447 11.6997 11.6997 11.7051 11.7051 12.2704 12.2704 12.3037 12.3037 12.9113 12.9113 k = 0.2037 0.3528 0.3217 ( 3128 PWs) bands (ev): -52.5858 -52.5858 -52.5858 -52.5858 -27.0239 -27.0239 -27.0239 -27.0239 -26.2129 -26.2129 -26.2129 -26.2129 -26.1877 -26.1877 -26.1876 -26.1876 -0.4449 -0.4449 -0.4424 -0.4424 6.0243 6.0243 6.0485 6.0485 7.7759 7.7759 7.8995 7.8995 8.5558 8.5558 8.6395 8.6395 11.1295 11.1295 11.1385 11.1385 11.6688 11.6688 11.6747 11.6747 12.3018 12.3018 12.3389 12.3389 12.9173 12.9173 k = 0.1975 0.3421 0.3217 ( 3132 PWs) bands (ev): -52.5858 -52.5858 -52.5858 -52.5858 -27.0238 -27.0238 -27.0238 -27.0238 -26.2126 -26.2126 -26.2126 -26.2126 -26.1876 -26.1876 -26.1876 -26.1876 -0.4788 -0.4788 -0.4764 -0.4764 6.0680 6.0680 6.0903 6.0903 7.8402 7.8402 7.9571 7.9571 8.5663 8.5663 8.6448 8.6448 11.1237 11.1237 11.1337 11.1337 11.6392 11.6392 11.6455 11.6455 12.3329 12.3329 12.3742 12.3742 12.9212 12.9212 k = 0.1914 0.3314 0.3217 ( 3128 PWs) bands (ev): -52.5858 -52.5858 -52.5858 -52.5858 -27.0236 -27.0236 -27.0236 -27.0236 -26.2123 -26.2123 -26.2123 -26.2123 -26.1876 -26.1876 -26.1876 -26.1876 -0.5132 -0.5132 -0.5111 -0.5111 6.1149 6.1149 6.1354 6.1354 7.9025 7.9025 8.0121 8.0121 8.5776 8.5776 8.6501 8.6501 11.1195 11.1195 11.1305 11.1305 11.6110 11.6110 11.6177 11.6177 12.3634 12.3634 12.4092 12.4092 12.9233 12.9233 k = 0.1852 0.3208 0.3217 ( 3124 PWs) bands (ev): -52.5859 -52.5859 -52.5859 -52.5859 -27.0235 -27.0235 -27.0235 -27.0235 -26.2120 -26.2120 -26.2120 -26.2120 -26.1876 -26.1876 -26.1876 -26.1876 -0.5481 -0.5481 -0.5461 -0.5461 6.1649 6.1649 6.1837 6.1837 7.9627 7.9627 8.0640 8.0640 8.5899 8.5899 8.6556 8.6556 11.1168 11.1168 11.1288 11.1288 11.5846 11.5846 11.5917 11.5917 12.3926 12.3926 12.4432 12.4432 12.9237 12.9237 k = 0.1790 0.3101 0.3217 ( 3120 PWs) bands (ev): -52.5859 -52.5859 -52.5859 -52.5859 -27.0233 -27.0233 -27.0233 -27.0233 -26.2117 -26.2117 -26.2117 -26.2117 -26.1876 -26.1876 -26.1876 -26.1876 -0.5832 -0.5832 -0.5815 -0.5815 6.2176 6.2176 6.2348 6.2348 8.0205 8.0205 8.1127 8.1127 8.6033 8.6033 8.6613 8.6613 11.1157 11.1157 11.1286 11.1286 11.5600 11.5600 11.5675 11.5675 12.4199 12.4199 12.4754 12.4754 12.9230 12.9230 k = 0.1728 0.2994 0.3217 ( 3124 PWs) bands (ev): -52.5859 -52.5859 -52.5859 -52.5859 -27.0231 -27.0231 -27.0231 -27.0231 -26.2114 -26.2114 -26.2114 -26.2114 -26.1876 -26.1876 -26.1876 -26.1876 -0.6185 -0.6185 -0.6170 -0.6170 6.2727 6.2727 6.2884 6.2884 8.0757 8.0757 8.1579 8.1579 8.6179 8.6179 8.6674 8.6674 11.1162 11.1162 11.1300 11.1300 11.5374 11.5374 11.5452 11.5452 12.4444 12.4444 12.5046 12.5046 12.9221 12.9221 k = 0.1667 0.2887 0.3217 ( 3118 PWs) bands (ev): -52.5860 -52.5860 -52.5860 -52.5860 -27.0230 -27.0230 -27.0230 -27.0230 -26.2110 -26.2110 -26.2110 -26.2110 -26.1875 -26.1875 -26.1875 -26.1875 -0.6539 -0.6539 -0.6525 -0.6525 6.3300 6.3300 6.3442 6.3442 8.1281 8.1281 8.1995 8.1995 8.6337 8.6337 8.6738 8.6738 11.1183 11.1183 11.1329 11.1329 11.5169 11.5169 11.5249 11.5249 12.4649 12.4649 12.5292 12.5292 12.9226 12.9226 k = 0.1605 0.2780 0.3217 ( 3114 PWs) bands (ev): -52.5860 -52.5860 -52.5860 -52.5860 -27.0228 -27.0228 -27.0228 -27.0228 -26.2107 -26.2107 -26.2107 -26.2107 -26.1875 -26.1875 -26.1875 -26.1875 -0.6891 -0.6891 -0.6878 -0.6878 6.3891 6.3891 6.4019 6.4019 8.1775 8.1775 8.2374 8.2374 8.6506 8.6506 8.6809 8.6809 11.1219 11.1219 11.1372 11.1372 11.4985 11.4985 11.5067 11.5067 12.4804 12.4804 12.5473 12.5473 12.9264 12.9264 k = 0.1543 0.2673 0.3217 ( 3112 PWs) bands (ev): -52.5860 -52.5860 -52.5860 -52.5860 -27.0226 -27.0226 -27.0226 -27.0226 -26.2103 -26.2103 -26.2103 -26.2103 -26.1875 -26.1875 -26.1875 -26.1875 -0.7240 -0.7240 -0.7229 -0.7229 6.4497 6.4497 6.4611 6.4611 8.2237 8.2237 8.2717 8.2717 8.6686 8.6686 8.6886 8.6886 11.1271 11.1271 11.1429 11.1429 11.4822 11.4822 11.4905 11.4905 12.4893 12.4893 12.5566 12.5566 12.9358 12.9358 k = 0.1481 0.2566 0.3217 ( 3112 PWs) bands (ev): -52.5860 -52.5860 -52.5860 -52.5860 -27.0225 -27.0225 -27.0225 -27.0225 -26.2100 -26.2100 -26.2100 -26.2100 -26.1875 -26.1875 -26.1875 -26.1875 -0.7586 -0.7586 -0.7575 -0.7575 6.5114 6.5114 6.5215 6.5215 8.2666 8.2666 8.3025 8.3025 8.6875 8.6875 8.6972 8.6972 11.1337 11.1337 11.1500 11.1500 11.4680 11.4680 11.4764 11.4764 12.4907 12.4907 12.5560 12.5560 12.9524 12.9524 k = 0.1420 0.2459 0.3217 ( 3116 PWs) bands (ev): -52.5861 -52.5861 -52.5861 -52.5861 -27.0223 -27.0223 -27.0223 -27.0223 -26.2096 -26.2096 -26.2096 -26.2096 -26.1875 -26.1875 -26.1875 -26.1875 -0.7926 -0.7926 -0.7917 -0.7917 6.5739 6.5739 6.5827 6.5827 8.3061 8.3061 8.3302 8.3302 8.7069 8.7069 8.7070 8.7070 11.1417 11.1417 11.1583 11.1583 11.4558 11.4558 11.4642 11.4642 12.4842 12.4842 12.5451 12.5451 12.9767 12.9767 k = 0.1358 0.2352 0.3217 ( 3116 PWs) bands (ev): -52.5861 -52.5861 -52.5861 -52.5861 -27.0221 -27.0221 -27.0221 -27.0221 -26.2093 -26.2093 -26.2093 -26.2093 -26.1875 -26.1875 -26.1875 -26.1875 -0.8260 -0.8260 -0.8252 -0.8252 6.6367 6.6367 6.6444 6.6444 8.3422 8.3422 8.3552 8.3552 8.7177 8.7177 8.7270 8.7270 11.1511 11.1511 11.1678 11.1678 11.4456 11.4456 11.4540 11.4540 12.4698 12.4698 12.5252 12.5252 13.0081 13.0081 k = 0.1296 0.2245 0.3217 ( 3116 PWs) bands (ev): -52.5861 -52.5861 -52.5861 -52.5861 -27.0220 -27.0220 -27.0220 -27.0220 -26.2090 -26.2090 -26.2090 -26.2090 -26.1875 -26.1875 -26.1875 -26.1875 -0.8586 -0.8586 -0.8579 -0.8579 6.6995 6.6995 6.7061 6.7061 8.3748 8.3748 8.3778 8.3778 8.7297 8.7297 8.7469 8.7469 11.1617 11.1617 11.1785 11.1785 11.4372 11.4372 11.4455 11.4455 12.4483 12.4483 12.4976 12.4976 13.0411 13.0411 k = 0.1235 0.2138 0.3217 ( 3124 PWs) bands (ev): -52.5862 -52.5862 -52.5862 -52.5862 -27.0218 -27.0218 -27.0218 -27.0218 -26.2086 -26.2086 -26.2086 -26.2086 -26.1874 -26.1874 -26.1874 -26.1874 -0.8904 -0.8904 -0.8898 -0.8898 6.7619 6.7619 6.7674 6.7674 8.3987 8.3987 8.4042 8.4042 8.7430 8.7430 8.7667 8.7667 11.1735 11.1735 11.1901 11.1901 11.4305 11.4305 11.4386 11.4386 12.4207 12.4207 12.4642 12.4642 13.0754 13.0754 k = 0.1173 0.2031 0.3217 ( 3120 PWs) bands (ev): -52.5862 -52.5862 -52.5862 -52.5862 -27.0216 -27.0216 -27.0216 -27.0216 -26.2083 -26.2083 -26.2083 -26.2083 -26.1874 -26.1874 -26.1874 -26.1874 -0.9212 -0.9212 -0.9207 -0.9207 6.8235 6.8235 6.8279 6.8279 8.4181 8.4181 8.4306 8.4306 8.7574 8.7574 8.7860 8.7860 11.1864 11.1864 11.2027 11.2027 11.4253 11.4253 11.4332 11.4332 12.3884 12.3884 12.4264 12.4264 13.1143 13.1143 k = 0.1111 0.1925 0.3217 ( 3124 PWs) bands (ev): -52.5862 -52.5862 -52.5862 -52.5862 -27.0215 -27.0215 -27.0215 -27.0215 -26.2080 -26.2080 -26.2080 -26.2080 -26.1874 -26.1874 -26.1874 -26.1874 -0.9510 -0.9510 -0.9506 -0.9506 6.8838 6.8838 6.8873 6.8873 8.4366 8.4366 8.4543 8.4543 8.7728 8.7728 8.8046 8.8046 11.2002 11.2002 11.2161 11.2161 11.4214 11.4214 11.4291 11.4291 12.3523 12.3523 12.3853 12.3853 13.1570 13.1570 k = 0.1049 0.1818 0.3217 ( 3120 PWs) bands (ev): -52.5862 -52.5862 -52.5862 -52.5862 -27.0213 -27.0213 -27.0213 -27.0213 -26.2076 -26.2076 -26.2076 -26.2076 -26.1874 -26.1874 -26.1874 -26.1874 -0.9797 -0.9797 -0.9793 -0.9793 6.9425 6.9425 6.9451 6.9451 8.4545 8.4545 8.4757 8.4757 8.7890 8.7890 8.8224 8.8224 11.2147 11.2147 11.2302 11.2302 11.4187 11.4187 11.4261 11.4261 12.3133 12.3133 12.3419 12.3419 13.2029 13.2029 k = 0.0988 0.1711 0.3217 ( 3122 PWs) bands (ev): -52.5863 -52.5863 -52.5863 -52.5863 -27.0212 -27.0212 -27.0212 -27.0212 -26.2073 -26.2073 -26.2073 -26.2073 -26.1874 -26.1874 -26.1874 -26.1874 -1.0071 -1.0071 -1.0068 -1.0068 6.9990 6.9990 7.0010 7.0010 8.4721 8.4721 8.4953 8.4953 8.8058 8.8058 8.8393 8.8393 11.2299 11.2299 11.2448 11.2448 11.4169 11.4169 11.4240 11.4240 12.2725 12.2725 12.2970 12.2970 13.2515 13.2515 k = 0.0926 0.1604 0.3217 ( 3122 PWs) bands (ev): -52.5863 -52.5863 -52.5863 -52.5863 -27.0210 -27.0210 -27.0210 -27.0210 -26.2070 -26.2070 -26.2070 -26.2070 -26.1874 -26.1874 -26.1874 -26.1874 -1.0332 -1.0332 -1.0330 -1.0330 7.0531 7.0531 7.0544 7.0544 8.4895 8.4895 8.5134 8.5134 8.8229 8.8229 8.8553 8.8553 11.2456 11.2456 11.2598 11.2598 11.4158 11.4158 11.4227 11.4227 12.2304 12.2304 12.2514 12.2514 13.3023 13.3023 k = 0.0864 0.1497 0.3217 ( 3118 PWs) bands (ev): -52.5863 -52.5863 -52.5863 -52.5863 -27.0209 -27.0209 -27.0209 -27.0209 -26.2068 -26.2068 -26.2067 -26.2067 -26.1874 -26.1874 -26.1874 -26.1874 -1.0580 -1.0580 -1.0578 -1.0578 7.1044 7.1044 7.1052 7.1052 8.5070 8.5070 8.5305 8.5305 8.8400 8.8400 8.8704 8.8704 11.2616 11.2616 11.2751 11.2751 11.4153 11.4153 11.4220 11.4220 12.1878 12.1878 12.2056 12.2056 13.3548 13.3548 k = 0.0802 0.1390 0.3217 ( 3114 PWs) bands (ev): -52.5863 -52.5863 -52.5863 -52.5863 -27.0208 -27.0208 -27.0208 -27.0208 -26.2065 -26.2065 -26.2065 -26.2065 -26.1873 -26.1873 -26.1873 -26.1873 -1.0813 -1.0813 -1.0812 -1.0812 7.1526 7.1526 7.1530 7.1530 8.5247 8.5247 8.5467 8.5467 8.8571 8.8571 8.8847 8.8847 11.2777 11.2777 11.2904 11.2904 11.4151 11.4151 11.4217 11.4217 12.1452 12.1452 12.1602 12.1602 13.4083 13.4083 k = 0.0741 0.1283 0.3217 ( 3116 PWs) bands (ev): -52.5864 -52.5864 -52.5864 -52.5864 -27.0207 -27.0207 -27.0206 -27.0206 -26.2062 -26.2062 -26.2062 -26.2062 -26.1873 -26.1873 -26.1873 -26.1873 -1.1032 -1.1032 -1.1031 -1.1031 7.1974 7.1974 7.1975 7.1975 8.5424 8.5424 8.5623 8.5623 8.8738 8.8738 8.8982 8.8982 11.2938 11.2938 11.3056 11.3056 11.4153 11.4153 11.4216 11.4216 12.1033 12.1033 12.1157 12.1157 13.4624 13.4624 k = 0.0679 0.1176 0.3217 ( 3120 PWs) bands (ev): -52.5864 -52.5864 -52.5864 -52.5864 -27.0205 -27.0205 -27.0205 -27.0205 -26.2060 -26.2060 -26.2060 -26.2060 -26.1873 -26.1873 -26.1873 -26.1873 -1.1235 -1.1235 -1.1234 -1.1234 7.2384 7.2384 7.2385 7.2385 8.5600 8.5600 8.5774 8.5774 8.8902 8.8902 8.9110 8.9110 11.3095 11.3095 11.3205 11.3205 11.4155 11.4155 11.4216 11.4216 12.0625 12.0625 12.0726 12.0726 13.5162 13.5162 k = 0.0617 0.1069 0.3217 ( 3126 PWs) bands (ev): -52.5864 -52.5864 -52.5864 -52.5864 -27.0204 -27.0204 -27.0204 -27.0204 -26.2058 -26.2058 -26.2058 -26.2058 -26.1873 -26.1873 -26.1873 -26.1873 -1.1422 -1.1422 -1.1421 -1.1421 7.2757 7.2757 7.2759 7.2759 8.5773 8.5773 8.5920 8.5920 8.9060 8.9060 8.9231 8.9231 11.3248 11.3248 11.3349 11.3349 11.4157 11.4157 11.4216 11.4216 12.0234 12.0234 12.0314 12.0314 13.5690 13.5690 k = 0.0556 0.0962 0.3217 ( 3134 PWs) bands (ev): -52.5864 -52.5864 -52.5864 -52.5864 -27.0203 -27.0203 -27.0203 -27.0203 -26.2056 -26.2056 -26.2056 -26.2056 -26.1873 -26.1873 -26.1873 -26.1873 -1.1592 -1.1592 -1.1592 -1.1592 7.3093 7.3093 7.3095 7.3095 8.5942 8.5942 8.6059 8.6059 8.9211 8.9211 8.9347 8.9347 11.3395 11.3395 11.3487 11.3487 11.4158 11.4158 11.4216 11.4216 11.9864 11.9864 11.9926 11.9926 13.6197 13.6197 k = 0.0494 0.0855 0.3217 ( 3140 PWs) bands (ev): -52.5865 -52.5865 -52.5865 -52.5865 -27.0202 -27.0202 -27.0202 -27.0202 -26.2054 -26.2054 -26.2054 -26.2054 -26.1873 -26.1873 -26.1873 -26.1873 -1.1746 -1.1746 -1.1745 -1.1745 7.3390 7.3390 7.3393 7.3393 8.6102 8.6102 8.6192 8.6192 8.9355 8.9355 8.9457 8.9457 11.3533 11.3533 11.3615 11.3615 11.4157 11.4157 11.4213 11.4213 11.9520 11.9520 11.9566 11.9566 13.6674 13.6674 k = 0.0432 0.0748 0.3217 ( 3140 PWs) bands (ev): -52.5865 -52.5865 -52.5865 -52.5865 -27.0202 -27.0202 -27.0202 -27.0202 -26.2052 -26.2052 -26.2052 -26.2052 -26.1873 -26.1873 -26.1873 -26.1873 -1.1882 -1.1882 -1.1882 -1.1882 7.3650 7.3650 7.3652 7.3652 8.6250 8.6250 8.6315 8.6315 8.9488 8.9488 8.9561 8.9561 11.3661 11.3661 11.3733 11.3733 11.4156 11.4156 11.4208 11.4208 11.9206 11.9206 11.9238 11.9238 13.7108 13.7109 k = 0.0370 0.0642 0.3217 ( 3148 PWs) bands (ev): -52.5865 -52.5865 -52.5865 -52.5865 -27.0201 -27.0201 -27.0201 -27.0201 -26.2051 -26.2051 -26.2051 -26.2051 -26.1873 -26.1873 -26.1873 -26.1873 -1.2001 -1.2001 -1.2001 -1.2001 7.3872 7.3872 7.3874 7.3874 8.6384 8.6384 8.6428 8.6428 8.9609 8.9609 8.9657 8.9657 11.3776 11.3776 11.3838 11.3838 11.4152 11.4152 11.4201 11.4201 11.8926 11.8926 11.8947 11.8947 13.7488 13.7489 k = 0.0309 0.0535 0.3217 ( 3148 PWs) bands (ev): -52.5865 -52.5865 -52.5865 -52.5865 -27.0200 -27.0200 -27.0200 -27.0200 -26.2050 -26.2050 -26.2050 -26.2050 -26.1873 -26.1873 -26.1873 -26.1873 -1.2102 -1.2102 -1.2102 -1.2102 7.4058 7.4058 7.4059 7.4059 8.6501 8.6501 8.6527 8.6527 8.9716 8.9716 8.9746 8.9746 11.3878 11.3878 11.3930 11.3930 11.4148 11.4148 11.4191 11.4191 11.8683 11.8683 11.8696 11.8696 13.7807 13.7810 k = 0.0247 0.0428 0.3217 ( 3158 PWs) bands (ev): -52.5865 -52.5865 -52.5865 -52.5865 -27.0200 -27.0200 -27.0200 -27.0200 -26.2049 -26.2049 -26.2049 -26.2049 -26.1873 -26.1873 -26.1873 -26.1873 -1.2185 -1.2185 -1.2185 -1.2185 7.4208 7.4208 7.4209 7.4209 8.6598 8.6598 8.6612 8.6612 8.9808 8.9808 8.9823 8.9823 11.3964 11.3964 11.4005 11.4005 11.4144 11.4144 11.4180 11.4180 11.8481 11.8481 11.8488 11.8488 13.8061 13.8062 k = 0.0185 0.0321 0.3217 ( 3158 PWs) bands (ev): -52.5865 -52.5865 -52.5865 -52.5865 -27.0199 -27.0199 -27.0199 -27.0199 -26.2048 -26.2048 -26.2048 -26.2048 -26.1872 -26.1872 -26.1872 -26.1872 -1.2250 -1.2250 -1.2250 -1.2250 7.4323 7.4323 7.4324 7.4324 8.6674 8.6674 8.6680 8.6680 8.9881 8.9881 8.9888 8.9888 11.4034 11.4034 11.4063 11.4063 11.4142 11.4142 11.4169 11.4169 11.8321 11.8321 11.8324 11.8324 13.8254 13.8270 k = 0.0123 0.0214 0.3217 ( 3154 PWs) bands (ev): -52.5865 -52.5865 -52.5865 -52.5865 -27.0199 -27.0199 -27.0199 -27.0199 -26.2047 -26.2047 -26.2047 -26.2047 -26.1872 -26.1872 -26.1872 -26.1872 -1.2296 -1.2296 -1.2296 -1.2296 7.4405 7.4405 7.4405 7.4405 8.6729 8.6729 8.6730 8.6730 8.9934 8.9934 8.9936 8.9936 11.4085 11.4085 11.4101 11.4101 11.4143 11.4143 11.4158 11.4158 11.8205 11.8205 11.8206 11.8206 13.8380 13.8384 k = 0.0062 0.0107 0.3217 ( 3158 PWs) bands (ev): -52.5865 -52.5865 -52.5865 -52.5865 -27.0199 -27.0199 -27.0199 -27.0199 -26.2047 -26.2047 -26.2047 -26.2047 -26.1872 -26.1872 -26.1872 -26.1872 -1.2324 -1.2324 -1.2324 -1.2324 7.4454 7.4454 7.4454 7.4454 8.6761 8.6761 8.6761 8.6761 8.9966 8.9966 8.9967 8.9967 11.4116 11.4116 11.4120 11.4120 11.4148 11.4148 11.4152 11.4152 11.8135 11.8135 11.8136 11.8136 13.8452 13.8452 k = 0.0000 0.0000 0.3217 ( 3158 PWs) bands (ev): -52.5865 -52.5865 -52.5865 -52.5865 -27.0199 -27.0199 -27.0199 -27.0199 -26.2047 -26.2047 -26.2047 -26.2047 -26.1872 -26.1872 -26.1872 -26.1872 -1.2333 -1.2333 -1.2333 -1.2333 7.4470 7.4470 7.4470 7.4470 8.6772 8.6772 8.6772 8.6772 8.9977 8.9977 8.9977 8.9977 11.4125 11.4125 11.4125 11.4125 11.4151 11.4151 11.4151 11.4151 11.8112 11.8112 11.8112 11.8112 13.8475 13.8475 k = 0.5000 0.2887 0.3217 ( 3124 PWs) bands (ev): -52.5856 -52.5856 -52.5856 -52.5856 -27.0248 -27.0248 -27.0248 -27.0248 -26.2150 -26.2150 -26.2150 -26.2150 -26.1875 -26.1875 -26.1875 -26.1875 -0.2034 -0.2034 -0.2034 -0.2034 5.3573 5.3573 5.3573 5.3573 8.1797 8.1797 8.1797 8.1797 8.5735 8.5735 8.5735 8.5735 10.9250 10.9250 10.9250 10.9250 12.0638 12.0638 12.0638 12.0638 12.1818 12.1818 12.1818 12.1818 13.0993 13.0993 k = 0.5000 0.2887 0.3094 ( 3124 PWs) bands (ev): -52.5860 -52.5860 -52.5853 -52.5853 -27.0257 -27.0257 -27.0240 -27.0240 -26.2155 -26.2155 -26.2145 -26.2145 -26.1901 -26.1901 -26.1848 -26.1848 -0.2095 -0.2095 -0.1976 -0.1976 5.3246 5.3246 5.3932 5.3932 8.1691 8.1691 8.1864 8.1864 8.5594 8.5594 8.5876 8.5876 10.8612 10.8612 10.9880 10.9880 12.0555 12.0555 12.0716 12.0716 12.1635 12.1635 12.2003 12.2003 13.0313 13.0313 k = 0.5000 0.2887 0.2970 ( 3146 PWs) bands (ev): -52.5864 -52.5864 -52.5849 -52.5849 -27.0266 -27.0266 -27.0231 -27.0231 -26.2160 -26.2160 -26.2141 -26.2141 -26.1928 -26.1928 -26.1821 -26.1821 -0.2157 -0.2157 -0.1920 -0.1920 5.2951 5.2951 5.4323 5.4323 8.1543 8.1543 8.1893 8.1893 8.5461 8.5461 8.6007 8.6007 10.7969 10.7969 11.0499 11.0499 12.0469 12.0469 12.0788 12.0788 12.1455 12.1455 12.2189 12.2189 12.9665 12.9665 k = 0.5000 0.2887 0.2846 ( 3138 PWs) bands (ev): -52.5867 -52.5867 -52.5846 -52.5846 -27.0275 -27.0275 -27.0223 -27.0223 -26.2166 -26.2166 -26.2136 -26.2136 -26.1953 -26.1953 -26.1794 -26.1794 -0.2221 -0.2221 -0.1866 -0.1866 5.2688 5.2688 5.4746 5.4746 8.1352 8.1352 8.1889 8.1889 8.5343 8.5343 8.6121 8.6121 10.7327 10.7327 11.1104 11.1104 12.0381 12.0381 12.0854 12.0854 12.1278 12.1278 12.2376 12.2376 12.9049 12.9049 k = 0.5000 0.2887 0.2722 ( 3146 PWs) bands (ev): -52.5871 -52.5871 -52.5842 -52.5842 -27.0284 -27.0284 -27.0214 -27.0214 -26.2171 -26.2171 -26.2133 -26.2133 -26.1978 -26.1978 -26.1767 -26.1767 -0.2286 -0.2286 -0.1815 -0.1815 5.2457 5.2457 5.5200 5.5200 8.1117 8.1117 8.1856 8.1856 8.5244 8.5244 8.6211 8.6211 10.6687 10.6687 11.1691 11.1691 12.0291 12.0291 12.0911 12.0911 12.1106 12.1106 12.2561 12.2561 12.8466 12.8466 k = 0.5000 0.2887 0.2599 ( 3138 PWs) bands (ev): -52.5874 -52.5874 -52.5838 -52.5838 -27.0293 -27.0293 -27.0206 -27.0206 -26.2176 -26.2176 -26.2129 -26.2129 -26.2002 -26.2002 -26.1740 -26.1740 -0.2351 -0.2351 -0.1768 -0.1768 5.2256 5.2256 5.5686 5.5686 8.0839 8.0839 8.1798 8.1798 8.5164 8.5164 8.6272 8.6272 10.6053 10.6053 11.2257 11.2257 12.0200 12.0200 12.0925 12.0925 12.0973 12.0973 12.2745 12.2745 12.7919 12.7919 k = 0.5000 0.2887 0.2475 ( 3142 PWs) bands (ev): -52.5878 -52.5878 -52.5835 -52.5835 -27.0302 -27.0302 -27.0199 -27.0199 -26.2181 -26.2181 -26.2127 -26.2127 -26.2024 -26.2024 -26.1714 -26.1714 -0.2417 -0.2417 -0.1723 -0.1723 5.2085 5.2085 5.6201 5.6201 8.0520 8.0520 8.1719 8.1719 8.5098 8.5098 8.6303 8.6303 10.5428 10.5428 11.2799 11.2799 12.0109 12.0109 12.0772 12.0772 12.1000 12.1000 12.2926 12.2926 12.7408 12.7408 k = 0.5000 0.2887 0.2351 ( 3138 PWs) bands (ev): -52.5881 -52.5881 -52.5832 -52.5832 -27.0310 -27.0310 -27.0191 -27.0191 -26.2186 -26.2186 -26.2127 -26.2127 -26.2044 -26.2044 -26.1688 -26.1688 -0.2484 -0.2484 -0.1681 -0.1681 5.1944 5.1944 5.6747 5.6747 8.0165 8.0165 8.1624 8.1624 8.5038 8.5038 8.6305 8.6305 10.4816 10.4816 11.3314 11.3314 12.0018 12.0018 12.0616 12.0616 12.1022 12.1022 12.3102 12.3102 12.6937 12.6937 k = 0.5000 0.2887 0.2227 ( 3142 PWs) bands (ev): -52.5885 -52.5885 -52.5828 -52.5828 -27.0319 -27.0319 -27.0184 -27.0184 -26.2190 -26.2190 -26.2131 -26.2131 -26.2059 -26.2059 -26.1662 -26.1662 -0.2549 -0.2549 -0.1642 -0.1642 5.1830 5.1830 5.7320 5.7320 7.9781 7.9781 8.1515 8.1515 8.4971 8.4971 8.6283 8.6283 10.4218 10.4218 11.3800 11.3800 11.9927 11.9927 12.0467 12.0467 12.1028 12.1028 12.3273 12.3273 12.6505 12.6505 k = 0.5000 0.2887 0.2104 ( 3132 PWs) bands (ev): -52.5888 -52.5888 -52.5825 -52.5825 -27.0327 -27.0327 -27.0177 -27.0177 -26.2195 -26.2195 -26.2139 -26.2139 -26.2068 -26.2068 -26.1638 -26.1638 -0.2614 -0.2614 -0.1607 -0.1607 5.1743 5.1743 5.7921 5.7921 7.9373 7.9373 8.1395 8.1395 8.4884 8.4884 8.6247 8.6247 10.3638 10.3638 11.4256 11.4256 11.9837 11.9837 12.0325 12.0325 12.1018 12.1018 12.3437 12.3437 12.6116 12.6116 k = 0.5000 0.2887 0.1980 ( 3122 PWs) bands (ev): -52.5891 -52.5891 -52.5822 -52.5822 -27.0335 -27.0335 -27.0170 -27.0170 -26.2200 -26.2200 -26.2152 -26.2152 -26.2073 -26.2073 -26.1614 -26.1614 -0.2678 -0.2678 -0.1574 -0.1574 5.1680 5.1680 5.8548 5.8548 7.8950 7.8950 8.1264 8.1264 8.4761 8.4761 8.6208 8.6208 10.3079 10.3079 11.4680 11.4680 11.9748 11.9748 12.0191 12.0191 12.0988 12.0988 12.3594 12.3594 12.5770 12.5770 k = 0.5000 0.2887 0.1856 ( 3122 PWs) bands (ev): -52.5894 -52.5894 -52.5819 -52.5819 -27.0343 -27.0343 -27.0164 -27.0164 -26.2204 -26.2204 -26.2168 -26.2168 -26.2074 -26.2074 -26.1591 -26.1591 -0.2740 -0.2740 -0.1544 -0.1544 5.1641 5.1641 5.9198 5.9198 7.8516 7.8516 8.1120 8.1120 8.4589 8.4589 8.6178 8.6178 10.2542 10.2542 11.5071 11.5071 11.9661 11.9661 12.0065 12.0065 12.0938 12.0938 12.3742 12.3742 12.5469 12.5469 k = 0.5000 0.2887 0.1732 ( 3126 PWs) bands (ev): -52.5897 -52.5897 -52.5816 -52.5816 -27.0351 -27.0351 -27.0158 -27.0158 -26.2208 -26.2208 -26.2184 -26.2184 -26.2073 -26.2073 -26.1569 -26.1569 -0.2801 -0.2801 -0.1518 -0.1518 5.1623 5.1623 5.9871 5.9871 7.8079 7.8079 8.0962 8.0962 8.4364 8.4364 8.6166 8.6166 10.2030 10.2030 11.5430 11.5430 11.9575 11.9575 11.9949 11.9949 12.0868 12.0868 12.3881 12.3881 12.5212 12.5212 k = 0.5000 0.2887 0.1609 ( 3120 PWs) bands (ev): -52.5899 -52.5899 -52.5813 -52.5813 -27.0358 -27.0358 -27.0152 -27.0152 -26.2213 -26.2213 -26.2201 -26.2201 -26.2071 -26.2071 -26.1548 -26.1548 -0.2859 -0.2859 -0.1494 -0.1494 5.1624 5.1624 6.0564 6.0564 7.7644 7.7644 8.0786 8.0786 8.4090 8.4090 8.6170 8.6170 10.1546 10.1546 11.5757 11.5757 11.9491 11.9491 11.9842 11.9842 12.0780 12.0780 12.4009 12.4009 12.4997 12.4997 k = 0.5000 0.2887 0.1485 ( 3116 PWs) bands (ev): -52.5902 -52.5902 -52.5811 -52.5811 -27.0365 -27.0365 -27.0147 -27.0147 -26.2220 -26.2220 -26.2213 -26.2213 -26.2069 -26.2069 -26.1528 -26.1528 -0.2914 -0.2914 -0.1473 -0.1473 5.1641 5.1641 6.1274 6.1274 7.7217 7.7217 8.0584 8.0584 8.3777 8.3777 8.6190 8.6190 10.1090 10.1090 11.6052 11.6052 11.9410 11.9410 11.9744 11.9744 12.0676 12.0676 12.4127 12.4127 12.4823 12.4823 k = 0.5000 0.2887 0.1361 ( 3120 PWs) bands (ev): -52.5904 -52.5904 -52.5808 -52.5808 -27.0371 -27.0371 -27.0142 -27.0142 -26.2234 -26.2234 -26.2218 -26.2218 -26.2066 -26.2066 -26.1510 -26.1510 -0.2966 -0.2966 -0.1455 -0.1455 5.1673 5.1673 6.1997 6.1997 7.6804 7.6804 8.0347 8.0347 8.3444 8.3444 8.6220 8.6220 10.0664 10.0664 11.6317 11.6317 11.9332 11.9332 11.9656 11.9656 12.0561 12.0561 12.4234 12.4234 12.4686 12.4686 k = 0.5000 0.2887 0.1237 ( 3120 PWs) bands (ev): -52.5906 -52.5906 -52.5806 -52.5806 -27.0377 -27.0377 -27.0138 -27.0138 -26.2248 -26.2248 -26.2222 -26.2222 -26.2064 -26.2064 -26.1493 -26.1493 -0.3015 -0.3015 -0.1438 -0.1438 5.1715 5.1715 6.2731 6.2731 7.6410 7.6410 8.0066 8.0066 8.3109 8.3109 8.6257 8.6257 10.0271 10.0271 11.6552 11.6552 11.9259 11.9259 11.9576 11.9576 12.0438 12.0438 12.4325 12.4325 12.4584 12.4584 k = 0.5000 0.2887 0.1114 ( 3122 PWs) bands (ev): -52.5908 -52.5908 -52.5804 -52.5804 -27.0383 -27.0383 -27.0134 -27.0134 -26.2262 -26.2262 -26.2225 -26.2225 -26.2062 -26.2062 -26.1477 -26.1477 -0.3061 -0.3061 -0.1424 -0.1424 5.1766 5.1766 6.3470 6.3470 7.6041 7.6041 7.9729 7.9729 8.2792 8.2792 8.6297 8.6297 9.9911 9.9911 11.6759 11.6759 11.9191 11.9191 11.9505 11.9505 12.0313 12.0313 12.4385 12.4385 12.4530 12.4530 k = 0.5000 0.2887 0.0990 ( 3122 PWs) bands (ev): -52.5910 -52.5910 -52.5803 -52.5803 -27.0388 -27.0388 -27.0130 -27.0130 -26.2274 -26.2274 -26.2227 -26.2227 -26.2059 -26.2059 -26.1463 -26.1463 -0.3102 -0.3102 -0.1412 -0.1412 5.1823 5.1823 6.4207 6.4207 7.5703 7.5703 7.9330 7.9330 8.2509 8.2509 8.6338 8.6338 9.9586 9.9586 11.6940 11.6940 11.9129 11.9129 11.9442 11.9442 12.0190 12.0190 12.4380 12.4380 12.4552 12.4552 k = 0.5000 0.2887 0.0866 ( 3134 PWs) bands (ev): -52.5912 -52.5912 -52.5801 -52.5801 -27.0393 -27.0393 -27.0127 -27.0127 -26.2284 -26.2284 -26.2230 -26.2230 -26.2057 -26.2057 -26.1450 -26.1450 -0.3139 -0.3139 -0.1402 -0.1402 5.1882 5.1882 6.4934 6.4934 7.5403 7.5403 7.8870 7.8870 8.2270 8.2270 8.6378 8.6378 9.9297 9.9297 11.7095 11.7095 11.9074 11.9074 11.9386 11.9386 12.0073 12.0073 12.4348 12.4348 12.4609 12.4609 k = 0.5000 0.2887 0.0742 ( 3134 PWs) bands (ev): -52.5913 -52.5913 -52.5800 -52.5800 -27.0397 -27.0397 -27.0124 -27.0124 -26.2294 -26.2294 -26.2232 -26.2232 -26.2055 -26.2055 -26.1439 -26.1439 -0.3171 -0.3171 -0.1394 -0.1394 5.1941 5.1941 6.5641 6.5641 7.5146 7.5146 7.8361 7.8361 8.2075 8.2075 8.6415 8.6415 9.9044 9.9044 11.7226 11.7226 11.9027 11.9027 11.9338 11.9338 11.9966 11.9966 12.4319 12.4319 12.4665 12.4665 k = 0.5000 0.2887 0.0619 ( 3138 PWs) bands (ev): -52.5914 -52.5914 -52.5799 -52.5799 -27.0400 -27.0400 -27.0122 -27.0122 -26.2302 -26.2302 -26.2234 -26.2234 -26.2054 -26.2054 -26.1429 -26.1429 -0.3199 -0.3199 -0.1387 -0.1387 5.1996 5.1996 6.6313 6.6313 7.4942 7.4942 7.7819 7.7819 8.1922 8.1922 8.6448 8.6448 9.8829 9.8829 11.7334 11.7334 11.8987 11.8987 11.9297 11.9297 11.9872 11.9872 12.4297 12.4297 12.4715 12.4715 k = 0.5000 0.2887 0.0495 ( 3144 PWs) bands (ev): -52.5915 -52.5915 -52.5798 -52.5798 -27.0403 -27.0403 -27.0120 -27.0120 -26.2308 -26.2308 -26.2235 -26.2235 -26.2053 -26.2053 -26.1421 -26.1421 -0.3222 -0.3222 -0.1382 -0.1382 5.2045 5.2045 6.6929 6.6929 7.4798 7.4798 7.7267 7.7267 8.1806 8.1806 8.6476 8.6476 9.8652 9.8652 11.7420 11.7420 11.8955 11.8955 11.9263 11.9263 11.9793 11.9793 12.4281 12.4281 12.4756 12.4756 k = 0.5000 0.2887 0.0371 ( 3148 PWs) bands (ev): -52.5916 -52.5916 -52.5797 -52.5797 -27.0405 -27.0405 -27.0118 -27.0118 -26.2314 -26.2314 -26.2236 -26.2236 -26.2051 -26.2051 -26.1415 -26.1415 -0.3241 -0.3241 -0.1378 -0.1378 5.2086 5.2086 6.7464 6.7464 7.4723 7.4723 7.6733 7.6733 8.1720 8.1720 8.6498 8.6498 9.8514 9.8514 11.7486 11.7486 11.8931 11.8931 11.9237 11.9237 11.9730 11.9730 12.4271 12.4271 12.4789 12.4789 k = 0.5000 0.2887 0.0247 ( 3142 PWs) bands (ev): -52.5917 -52.5917 -52.5796 -52.5796 -27.0407 -27.0407 -27.0117 -27.0117 -26.2317 -26.2317 -26.2237 -26.2237 -26.2051 -26.2051 -26.1411 -26.1411 -0.3254 -0.3254 -0.1375 -0.1375 5.2117 5.2117 6.7885 6.7885 7.4722 7.4722 7.6255 7.6255 8.1662 8.1662 8.6515 8.6515 9.8416 9.8416 11.7532 11.7532 11.8914 11.8914 11.9217 11.9217 11.9684 11.9684 12.4264 12.4264 12.4813 12.4813 k = 0.5000 0.2887 0.0124 ( 3142 PWs) bands (ev): -52.5917 -52.5917 -52.5796 -52.5796 -27.0407 -27.0407 -27.0117 -27.0117 -26.2319 -26.2319 -26.2238 -26.2238 -26.2050 -26.2050 -26.1408 -26.1408 -0.3261 -0.3261 -0.1373 -0.1373 5.2136 5.2136 6.8158 6.8158 7.4778 7.4778 7.5890 7.5890 8.1628 8.1628 8.6525 8.6525 9.8356 9.8356 11.7559 11.7559 11.8904 11.8904 11.9206 11.9206 11.9657 11.9657 12.4260 12.4260 12.4827 12.4827 k = 0.5000 0.2887-0.0000 ( 3142 PWs) bands (ev): -52.5917 -52.5917 -52.5796 -52.5796 -27.0408 -27.0408 -27.0116 -27.0116 -26.2320 -26.2320 -26.2238 -26.2238 -26.2050 -26.2050 -26.1407 -26.1407 -0.3264 -0.3264 -0.1372 -0.1372 5.2143 5.2143 6.8252 6.8252 7.4821 7.4821 7.5740 7.5740 8.1617 8.1617 8.6528 8.6528 9.8336 9.8336 11.7568 11.7568 11.8900 11.8900 11.9202 11.9202 11.9648 11.9648 12.4259 12.4259 12.4831 12.4831 k = 0.3333 0.5774-0.0000 ( 3138 PWs) bands (ev): -52.5916 -52.5916 -52.5795 -52.5795 -27.0412 -27.0412 -27.0124 -27.0124 -26.2315 -26.2315 -26.2251 -26.2251 -26.2066 -26.2066 -26.1411 -26.1411 -0.0847 -0.0847 -0.0793 -0.0793 5.5702 5.5702 6.4065 6.4065 6.7801 6.7801 7.6475 7.6475 7.7627 7.7627 8.1740 8.1740 11.1056 11.1056 11.7427 11.7427 11.8133 11.8133 12.0592 12.0592 12.0833 12.0833 12.1022 12.1022 12.8890 12.8890 k = 0.3333 0.5774 0.0124 ( 3138 PWs) bands (ev): -52.5916 -52.5916 -52.5795 -52.5795 -27.0411 -27.0411 -27.0125 -27.0125 -26.2315 -26.2315 -26.2251 -26.2251 -26.2066 -26.2066 -26.1412 -26.1412 -0.0846 -0.0846 -0.0793 -0.0793 5.5717 5.5717 6.4039 6.4039 6.7761 6.7761 7.6514 7.6514 7.7660 7.7660 8.1712 8.1712 11.1066 11.1066 11.7414 11.7414 11.8113 11.8113 12.0597 12.0597 12.0847 12.0847 12.1030 12.1030 12.8874 12.8874 k = 0.3333 0.5774 0.0247 ( 3126 PWs) bands (ev): -52.5915 -52.5915 -52.5795 -52.5795 -27.0410 -27.0410 -27.0125 -27.0125 -26.2312 -26.2312 -26.2250 -26.2250 -26.2066 -26.2066 -26.1414 -26.1414 -0.0845 -0.0845 -0.0791 -0.0791 5.5763 5.5763 6.3964 6.3964 6.7643 6.7643 7.6626 7.6626 7.7757 7.7757 8.1630 8.1630 11.1098 11.1098 11.7375 11.7375 11.8056 11.8056 12.0613 12.0613 12.0890 12.0890 12.1056 12.1056 12.8827 12.8827 k = 0.3333 0.5774 0.0371 ( 3126 PWs) bands (ev): -52.5915 -52.5915 -52.5795 -52.5795 -27.0409 -27.0409 -27.0126 -27.0126 -26.2309 -26.2309 -26.2250 -26.2250 -26.2067 -26.2067 -26.1419 -26.1419 -0.0841 -0.0841 -0.0788 -0.0788 5.5840 5.5840 6.3841 6.3841 6.7457 6.7457 7.6797 7.6797 7.7916 7.7916 8.1501 8.1501 11.1151 11.1151 11.7310 11.7310 11.7963 11.7963 12.0638 12.0638 12.0958 12.0958 12.1097 12.1097 12.8751 12.8751 k = 0.3333 0.5774 0.0495 ( 3135 PWs) bands (ev): -52.5914 -52.5914 -52.5796 -52.5796 -27.0407 -27.0407 -27.0128 -27.0128 -26.2303 -26.2303 -26.2248 -26.2248 -26.2068 -26.2068 -26.1425 -26.1425 -0.0837 -0.0837 -0.0783 -0.0783 5.5946 5.5946 6.3677 6.3677 6.7213 6.7213 7.7008 7.7008 7.8130 7.8130 8.1335 8.1335 11.1225 11.1225 11.7222 11.7222 11.7840 11.7840 12.0668 12.0668 12.1048 12.1048 12.1154 12.1154 12.8650 12.8650 k = 0.3333 0.5774 0.0619 ( 3123 PWs) bands (ev): -52.5913 -52.5913 -52.5797 -52.5797 -27.0404 -27.0404 -27.0130 -27.0130 -26.2296 -26.2296 -26.2247 -26.2247 -26.2070 -26.2070 -26.1433 -26.1433 -0.0832 -0.0832 -0.0778 -0.0778 5.6083 5.6083 6.3475 6.3475 6.6923 6.6923 7.7229 7.7229 7.8394 7.8394 8.1153 8.1153 11.1319 11.1319 11.7113 11.7113 11.7691 11.7691 12.0700 12.0700 12.1157 12.1157 12.1226 12.1226 12.8529 12.8529 k = 0.3333 0.5774 0.0742 ( 3117 PWs) bands (ev): -52.5912 -52.5912 -52.5798 -52.5798 -27.0401 -27.0401 -27.0132 -27.0132 -26.2288 -26.2288 -26.2245 -26.2245 -26.2072 -26.2072 -26.1442 -26.1442 -0.0825 -0.0825 -0.0771 -0.0771 5.6250 5.6250 6.3243 6.3243 6.6601 6.6601 7.7420 7.7420 7.8701 7.8701 8.0986 8.0986 11.1435 11.1435 11.6985 11.6985 11.7521 11.7521 12.0729 12.0729 12.1279 12.1279 12.1311 12.1311 12.8392 12.8392 k = 0.3333 0.5774 0.0866 ( 3123 PWs) bands (ev): -52.5910 -52.5910 -52.5800 -52.5800 -27.0397 -27.0397 -27.0135 -27.0135 -26.2278 -26.2278 -26.2243 -26.2243 -26.2074 -26.2074 -26.1453 -26.1453 -0.0818 -0.0818 -0.0763 -0.0763 5.6446 5.6446 6.2988 6.2988 6.6256 6.6256 7.7531 7.7531 7.9043 7.9043 8.0877 8.0877 11.1570 11.1570 11.6839 11.6839 11.7334 11.7334 12.0751 12.0751 12.1408 12.1408 12.1414 12.1414 12.8243 12.8243 k = 0.3333 0.5774 0.0990 ( 3123 PWs) bands (ev): -52.5909 -52.5909 -52.5801 -52.5801 -27.0392 -27.0392 -27.0138 -27.0138 -26.2267 -26.2267 -26.2240 -26.2240 -26.2076 -26.2076 -26.1466 -26.1466 -0.0809 -0.0809 -0.0755 -0.0755 5.6671 5.6671 6.2715 6.2715 6.5899 6.5899 7.7508 7.7508 7.9413 7.9413 8.0875 8.0875 11.1725 11.1725 11.6679 11.6679 11.7133 11.7133 12.0760 12.0760 12.1517 12.1517 12.1559 12.1559 12.8084 12.8084 k = 0.3333 0.5774 0.1114 ( 3123 PWs) bands (ev): -52.5907 -52.5907 -52.5803 -52.5803 -27.0387 -27.0387 -27.0142 -27.0142 -26.2255 -26.2255 -26.2238 -26.2238 -26.2079 -26.2079 -26.1480 -26.1480 -0.0800 -0.0800 -0.0745 -0.0745 5.6924 5.6924 6.2431 6.2431 6.5536 6.5536 7.7324 7.7324 7.9805 7.9805 8.1003 8.1003 11.1899 11.1899 11.6508 11.6508 11.6922 11.6922 12.0753 12.0753 12.1636 12.1636 12.1713 12.1713 12.7917 12.7917 k = 0.3333 0.5774 0.1237 ( 3123 PWs) bands (ev): -52.5905 -52.5905 -52.5805 -52.5805 -27.0382 -27.0382 -27.0146 -27.0146 -26.2241 -26.2241 -26.2235 -26.2235 -26.2082 -26.2082 -26.1496 -26.1496 -0.0791 -0.0791 -0.0735 -0.0735 5.7204 5.7204 6.2140 6.2140 6.5176 6.5176 7.6992 7.6992 8.0210 8.0210 8.1247 8.1247 11.2093 11.2093 11.6328 11.6328 11.6704 11.6704 12.0726 12.0726 12.1766 12.1766 12.1875 12.1875 12.7745 12.7745 k = 0.3333 0.5774 0.1361 ( 3117 PWs) bands (ev): -52.5903 -52.5903 -52.5807 -52.5807 -27.0376 -27.0376 -27.0150 -27.0150 -26.2231 -26.2231 -26.2226 -26.2226 -26.2085 -26.2085 -26.1513 -26.1513 -0.0780 -0.0780 -0.0725 -0.0725 5.7511 5.7511 6.1848 6.1848 6.4823 6.4823 7.6545 7.6545 8.0623 8.0623 8.1573 8.1573 11.2305 11.2305 11.6141 11.6141 11.6482 11.6482 12.0675 12.0675 12.1904 12.1904 12.2043 12.2043 12.7569 12.7569 k = 0.3333 0.5774 0.1485 ( 3123 PWs) bands (ev): -52.5901 -52.5901 -52.5810 -52.5810 -27.0369 -27.0369 -27.0155 -27.0155 -26.2228 -26.2228 -26.2209 -26.2209 -26.2089 -26.2089 -26.1532 -26.1532 -0.0770 -0.0770 -0.0714 -0.0714 5.7842 5.7842 6.1559 6.1559 6.4483 6.4483 7.6014 7.6014 8.1038 8.1038 8.1946 8.1946 11.2534 11.2534 11.5951 11.5951 11.6258 11.6258 12.0598 12.0598 12.2050 12.2050 12.2217 12.2217 12.7389 12.7389 k = 0.3333 0.5774 0.1609 ( 3120 PWs) bands (ev): -52.5898 -52.5898 -52.5812 -52.5812 -27.0363 -27.0363 -27.0160 -27.0160 -26.2224 -26.2224 -26.2192 -26.2192 -26.2093 -26.2093 -26.1552 -26.1552 -0.0759 -0.0759 -0.0703 -0.0703 5.8196 5.8196 6.1276 6.1276 6.4160 6.4160 7.5424 7.5424 8.1450 8.1450 8.2345 8.2345 11.2779 11.2779 11.5759 11.5759 11.6035 11.6035 12.0493 12.0493 12.2205 12.2205 12.2397 12.2397 12.7205 12.7205 k = 0.3333 0.5774 0.1732 ( 3120 PWs) bands (ev): -52.5895 -52.5895 -52.5815 -52.5815 -27.0355 -27.0355 -27.0165 -27.0165 -26.2220 -26.2220 -26.2173 -26.2173 -26.2097 -26.2097 -26.1573 -26.1573 -0.0749 -0.0749 -0.0692 -0.0692 5.8571 5.8571 6.1004 6.1004 6.3859 6.3859 7.4792 7.4792 8.1853 8.1853 8.2752 8.2752 11.3041 11.3041 11.5568 11.5568 11.5816 11.5816 12.0360 12.0360 12.2366 12.2366 12.2582 12.2582 12.7019 12.7019 k = 0.3333 0.5774 0.1856 ( 3123 PWs) bands (ev): -52.5893 -52.5893 -52.5818 -52.5818 -27.0348 -27.0348 -27.0171 -27.0171 -26.2216 -26.2216 -26.2153 -26.2153 -26.2101 -26.2101 -26.1595 -26.1595 -0.0738 -0.0738 -0.0681 -0.0681 5.8962 5.8962 6.0744 6.0744 6.3585 6.3585 7.4129 7.4129 8.2243 8.2243 8.3155 8.3155 11.3317 11.3317 11.5381 11.5381 11.5603 11.5603 12.0199 12.0199 12.2534 12.2534 12.2771 12.2771 12.6831 12.6831 k = 0.3333 0.5774 0.1980 ( 3132 PWs) bands (ev): -52.5890 -52.5890 -52.5821 -52.5821 -27.0340 -27.0340 -27.0177 -27.0177 -26.2211 -26.2211 -26.2132 -26.2132 -26.2106 -26.2106 -26.1618 -26.1618 -0.0728 -0.0728 -0.0671 -0.0671 5.9364 5.9364 6.0500 6.0500 6.3345 6.3345 7.3445 7.3445 8.2616 8.2616 8.3545 8.3545 11.3606 11.3606 11.5200 11.5200 11.5399 11.5399 12.0011 12.0011 12.2708 12.2708 12.2964 12.2964 12.6640 12.6640 k = 0.3333 0.5774 0.2104 ( 3132 PWs) bands (ev): -52.5887 -52.5887 -52.5824 -52.5824 -27.0332 -27.0332 -27.0184 -27.0184 -26.2206 -26.2206 -26.2110 -26.2110 -26.2110 -26.2110 -26.1641 -26.1641 -0.0718 -0.0718 -0.0661 -0.0661 5.9768 5.9768 6.0273 6.0273 6.3147 6.3147 7.2748 7.2748 8.2966 8.2966 8.3916 8.3916 11.3906 11.3906 11.5028 11.5028 11.5208 11.5208 11.9797 11.9797 12.2887 12.2887 12.3160 12.3160 12.6448 12.6448 k = 0.3333 0.5774 0.2227 ( 3141 PWs) bands (ev): -52.5884 -52.5884 -52.5827 -52.5827 -27.0324 -27.0324 -27.0191 -27.0191 -26.2201 -26.2201 -26.2115 -26.2115 -26.2087 -26.2087 -26.1666 -26.1666 -0.0709 -0.0709 -0.0651 -0.0651 6.0065 6.0065 6.0159 6.0159 6.3007 6.3007 7.2045 7.2045 8.3290 8.3290 8.4262 8.4262 11.4212 11.4212 11.4866 11.4866 11.5035 11.5035 11.9558 11.9558 12.3070 12.3070 12.3360 12.3360 12.6253 12.6253 k = 0.3333 0.5774 0.2351 ( 3135 PWs) bands (ev): -52.5880 -52.5880 -52.5830 -52.5830 -27.0315 -27.0315 -27.0198 -27.0198 -26.2196 -26.2196 -26.2120 -26.2120 -26.2063 -26.2063 -26.1691 -26.1691 -0.0701 -0.0701 -0.0643 -0.0643 5.9879 5.9879 6.0514 6.0514 6.2945 6.2945 7.1343 7.1343 8.3586 8.3586 8.4578 8.4578 11.4503 11.4503 11.4718 11.4718 11.4904 11.4904 11.9296 11.9296 12.3259 12.3259 12.3562 12.3562 12.6057 12.6057 k = 0.3333 0.5774 0.2475 ( 3135 PWs) bands (ev): -52.5877 -52.5877 -52.5834 -52.5834 -27.0307 -27.0307 -27.0205 -27.0205 -26.2191 -26.2191 -26.2126 -26.2126 -26.2039 -26.2039 -26.1717 -26.1717 -0.0693 -0.0693 -0.0635 -0.0635 5.9715 5.9715 6.0800 6.0800 6.2991 6.2991 7.0648 7.0648 8.3849 8.3849 8.4860 8.4860 11.4584 11.4584 11.4615 11.4615 11.4977 11.4977 11.9014 11.9014 12.3450 12.3450 12.3766 12.3766 12.5859 12.5859 k = 0.3333 0.5774 0.2599 ( 3129 PWs) bands (ev): -52.5873 -52.5873 -52.5837 -52.5837 -27.0298 -27.0298 -27.0213 -27.0213 -26.2186 -26.2186 -26.2131 -26.2131 -26.2013 -26.2013 -26.1744 -26.1744 -0.0687 -0.0687 -0.0628 -0.0628 5.9574 5.9574 6.0992 6.0992 6.3166 6.3166 6.9968 6.9968 8.4077 8.4077 8.5104 8.5104 11.4468 11.4468 11.4529 11.4529 11.5277 11.5277 11.8715 11.8715 12.3645 12.3645 12.3972 12.3972 12.5659 12.5659 k = 0.3333 0.5774 0.2722 ( 3132 PWs) bands (ev): -52.5870 -52.5870 -52.5841 -52.5841 -27.0289 -27.0289 -27.0221 -27.0221 -26.2181 -26.2181 -26.2136 -26.2136 -26.1988 -26.1988 -26.1771 -26.1771 -0.0681 -0.0681 -0.0622 -0.0622 5.9457 5.9457 6.1093 6.1093 6.3457 6.3457 6.9317 6.9317 8.4266 8.4266 8.5309 8.5309 11.4370 11.4370 11.4430 11.4430 11.5616 11.5616 11.8400 11.8400 12.3842 12.3842 12.4178 12.4178 12.5458 12.5458 k = 0.3333 0.5774 0.2846 ( 3132 PWs) bands (ev): -52.5866 -52.5866 -52.5844 -52.5844 -27.0281 -27.0281 -27.0229 -27.0229 -26.2175 -26.2175 -26.2142 -26.2142 -26.1961 -26.1961 -26.1798 -26.1798 -0.0677 -0.0677 -0.0618 -0.0618 5.9366 5.9366 6.1133 6.1133 6.3819 6.3819 6.8712 6.8712 8.4416 8.4416 8.5470 8.5470 11.4293 11.4293 11.4348 11.4348 11.5965 11.5965 11.8071 11.8071 12.4042 12.4042 12.4383 12.4383 12.5256 12.5256 k = 0.3333 0.5774 0.2970 ( 3135 PWs) bands (ev): -52.5863 -52.5863 -52.5848 -52.5848 -27.0272 -27.0272 -27.0237 -27.0237 -26.2170 -26.2170 -26.2147 -26.2147 -26.1935 -26.1935 -26.1825 -26.1825 -0.0673 -0.0673 -0.0614 -0.0614 5.9300 5.9300 6.1141 6.1141 6.4188 6.4188 6.8188 6.8188 8.4525 8.4525 8.5587 8.5587 11.4237 11.4237 11.4287 11.4287 11.6319 11.6319 11.7733 11.7733 12.4243 12.4243 12.4585 12.4585 12.5054 12.5054 k = 0.3333 0.5774 0.3094 ( 3135 PWs) bands (ev): -52.5859 -52.5859 -52.5851 -52.5851 -27.0263 -27.0263 -27.0246 -27.0246 -26.2164 -26.2164 -26.2153 -26.2153 -26.1907 -26.1907 -26.1853 -26.1853 -0.0672 -0.0672 -0.0612 -0.0612 5.9261 5.9261 6.1140 6.1140 6.4482 6.4482 6.7807 6.7807 8.4590 8.4590 8.5658 8.5658 11.4202 11.4202 11.4250 11.4250 11.6674 11.6674 11.7388 11.7388 12.4444 12.4444 12.4774 12.4774 12.4851 12.4851 k = 0.3333 0.5774 0.3217 ( 3132 PWs) bands (ev): -52.5855 -52.5855 -52.5855 -52.5855 -27.0254 -27.0254 -27.0254 -27.0254 -26.2159 -26.2159 -26.2158 -26.2158 -26.1881 -26.1881 -26.1880 -26.1880 -0.0671 -0.0671 -0.0612 -0.0612 5.9248 5.9248 6.1138 6.1138 6.4599 6.4599 6.7662 6.7662 8.4612 8.4612 8.5681 8.5681 11.4191 11.4191 11.4238 11.4238 11.6989 11.6989 11.7076 11.7076 12.4638 12.4639 12.4657 12.4657 12.4885 12.4885 Writing output data file VTe.save init_run : 0.41s CPU 1.00s WALL ( 1 calls) electrons : 150.20s CPU 155.26s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 150.19s CPU 155.25s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.14s CPU 0.19s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.06s WALL ( 343 calls) cegterg : 140.43s CPU 142.72s WALL ( 621 calls) Called by sum_band: Called by *egterg: h_psi : 76.03s CPU 77.77s WALL ( 9588 calls) s_psi : 5.51s CPU 5.45s WALL ( 9588 calls) g_psi : 0.18s CPU 0.21s WALL ( 8624 calls) cdiaghg : 51.62s CPU 52.50s WALL ( 8967 calls) cegterg:over : 5.23s CPU 5.17s WALL ( 8624 calls) cegterg:upda : 4.12s CPU 4.17s WALL ( 8624 calls) cegterg:last : 2.44s CPU 2.41s WALL ( 1633 calls) cdiaghg:chol : 2.90s CPU 2.89s WALL ( 8967 calls) cdiaghg:inve : 1.91s CPU 1.85s WALL ( 8967 calls) cdiaghg:para : 2.93s CPU 2.97s WALL ( 17934 calls) Called by h_psi: h_psi:vloc : 64.17s CPU 65.66s WALL ( 9588 calls) h_psi:vnl : 11.69s CPU 11.91s WALL ( 9588 calls) add_vuspsi : 6.18s CPU 6.35s WALL ( 9588 calls) General routines calbec : 5.49s CPU 5.53s WALL ( 9588 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 56.60s CPU 57.80s WALL ( 913948 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.22s WALL ( 686 calls) Parallel routines fft_scatter : 21.36s CPU 21.82s WALL ( 913971 calls) PWSCF : 2m43.25s CPU 3m32.75s WALL This run was terminated on: 21:21:17 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=