Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:17:50 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: ./TiTe.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P 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 32 32 9 1476 1476 225 Max 33 33 10 1485 1485 230 Sum 1159 1159 337 53199 53199 8173 bravais-lattice index = 14 lattice parameter (alat) = 7.2943 a.u. unit-cell volume = 550.7599 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.294342 celldm(2)= 1.000000 celldm(3)= 1.638601 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 1.638601 ) 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 0.610277 ) 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 Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 atomic species valence mass pseudopotential Te 6.00 127.60000 Te( 1.00) Ti 12.00 47.86700 Ti( 1.00) 24 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8193005 ) 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 ) ( 0.8193005 ) 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 ) ( -0.8193005 ) 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 ) ( -0.8193005 ) 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 ) ( 0.8193005 ) 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 ) ( 0.8193005 ) 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 ) ( 0.8193005 ) 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 ) ( -0.8193005 ) 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 ) ( 0.8193005 ) 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 ) ( 0.8193005 ) 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 ) ( -0.8193005 ) 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 ) ( -0.8193005 ) 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= 344 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 2) = ( 0.0106383 0.0061420 -0.0000000), wk = 0.0029070 k( 3) = ( 0.0212766 0.0122841 -0.0000000), wk = 0.0029070 k( 4) = ( 0.0319149 0.0184261 -0.0000000), wk = 0.0029070 k( 5) = ( 0.0425532 0.0245681 -0.0000000), wk = 0.0029070 k( 6) = ( 0.0531915 0.0307101 -0.0000000), wk = 0.0029070 k( 7) = ( 0.0638298 0.0368521 -0.0000000), wk = 0.0029070 k( 8) = ( 0.0744681 0.0429942 -0.0000000), wk = 0.0029070 k( 9) = ( 0.0851064 0.0491362 -0.0000000), wk = 0.0029070 k( 10) = ( 0.0957447 0.0552782 -0.0000000), wk = 0.0029070 k( 11) = ( 0.1063830 0.0614202 -0.0000000), wk = 0.0029070 k( 12) = ( 0.1170213 0.0675623 -0.0000000), wk = 0.0029070 k( 13) = ( 0.1276596 0.0737043 -0.0000000), wk = 0.0029070 k( 14) = ( 0.1382979 0.0798463 -0.0000000), wk = 0.0029070 k( 15) = ( 0.1489362 0.0859883 -0.0000000), wk = 0.0029070 k( 16) = ( 0.1595745 0.0921304 -0.0000000), wk = 0.0029070 k( 17) = ( 0.1702128 0.0982724 -0.0000000), wk = 0.0029070 k( 18) = ( 0.1808511 0.1044144 -0.0000000), wk = 0.0029070 k( 19) = ( 0.1914894 0.1105564 -0.0000000), wk = 0.0029070 k( 20) = ( 0.2021277 0.1166985 -0.0000000), wk = 0.0029070 k( 21) = ( 0.2127660 0.1228405 -0.0000000), wk = 0.0029070 k( 22) = ( 0.2234043 0.1289825 -0.0000000), wk = 0.0029070 k( 23) = ( 0.2340425 0.1351245 -0.0000000), wk = 0.0029070 k( 24) = ( 0.2446809 0.1412666 -0.0000000), wk = 0.0029070 k( 25) = ( 0.2553191 0.1474086 -0.0000000), wk = 0.0029070 k( 26) = ( 0.2659574 0.1535506 -0.0000000), wk = 0.0029070 k( 27) = ( 0.2765957 0.1596926 -0.0000000), wk = 0.0029070 k( 28) = ( 0.2872340 0.1658347 -0.0000000), wk = 0.0029070 k( 29) = ( 0.2978723 0.1719767 -0.0000000), wk = 0.0029070 k( 30) = ( 0.3085106 0.1781187 -0.0000000), wk = 0.0029070 k( 31) = ( 0.3191489 0.1842607 -0.0000000), wk = 0.0029070 k( 32) = ( 0.3297872 0.1904027 -0.0000000), wk = 0.0029070 k( 33) = ( 0.3404255 0.1965448 -0.0000000), wk = 0.0029070 k( 34) = ( 0.3510638 0.2026868 -0.0000000), wk = 0.0029070 k( 35) = ( 0.3617021 0.2088288 -0.0000000), wk = 0.0029070 k( 36) = ( 0.3723404 0.2149708 -0.0000000), wk = 0.0029070 k( 37) = ( 0.3829787 0.2211129 -0.0000000), wk = 0.0029070 k( 38) = ( 0.3936170 0.2272549 -0.0000000), wk = 0.0029070 k( 39) = ( 0.4042553 0.2333969 -0.0000000), wk = 0.0029070 k( 40) = ( 0.4148936 0.2395389 -0.0000000), wk = 0.0029070 k( 41) = ( 0.4255319 0.2456810 -0.0000000), wk = 0.0029070 k( 42) = ( 0.4361702 0.2518230 -0.0000000), wk = 0.0029070 k( 43) = ( 0.4468085 0.2579650 -0.0000000), wk = 0.0029070 k( 44) = ( 0.4574468 0.2641070 -0.0000000), wk = 0.0029070 k( 45) = ( 0.4680851 0.2702491 -0.0000000), wk = 0.0029070 k( 46) = ( 0.4787234 0.2763911 -0.0000000), wk = 0.0029070 k( 47) = ( 0.4893617 0.2825331 -0.0000000), wk = 0.0029070 k( 48) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029070 k( 49) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029070 k( 50) = ( 0.4940476 0.2989850 -0.0000000), wk = 0.0029070 k( 51) = ( 0.4880952 0.3092948 -0.0000000), wk = 0.0029070 k( 52) = ( 0.4821429 0.3196046 -0.0000000), wk = 0.0029070 k( 53) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0029070 k( 54) = ( 0.4702381 0.3402243 -0.0000000), wk = 0.0029070 k( 55) = ( 0.4642857 0.3505341 -0.0000000), wk = 0.0029070 k( 56) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0029070 k( 57) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0029070 k( 58) = ( 0.4464286 0.3814636 -0.0000000), wk = 0.0029070 k( 59) = ( 0.4404762 0.3917734 -0.0000000), wk = 0.0029070 k( 60) = ( 0.4345238 0.4020832 -0.0000000), wk = 0.0029070 k( 61) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0029070 k( 62) = ( 0.4226190 0.4227029 -0.0000000), wk = 0.0029070 k( 63) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0029070 k( 64) = ( 0.4107143 0.4433225 -0.0000000), wk = 0.0029070 k( 65) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0029070 k( 66) = ( 0.3988095 0.4639422 -0.0000000), wk = 0.0029070 k( 67) = ( 0.3928571 0.4742520 -0.0000000), wk = 0.0029070 k( 68) = ( 0.3869048 0.4845618 -0.0000000), wk = 0.0029070 k( 69) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0029070 k( 70) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0029070 k( 71) = ( 0.3690476 0.5154913 -0.0000000), wk = 0.0029070 k( 72) = ( 0.3630952 0.5258011 -0.0000000), wk = 0.0029070 k( 73) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0029070 k( 74) = ( 0.3511905 0.5464208 -0.0000000), wk = 0.0029070 k( 75) = ( 0.3452381 0.5567306 -0.0000000), wk = 0.0029070 k( 76) = ( 0.3392857 0.5670404 -0.0000000), wk = 0.0029070 k( 77) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029070 k( 78) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029070 k( 79) = ( 0.3272727 0.5668530 -0.0000000), wk = 0.0029070 k( 80) = ( 0.3212121 0.5563557 -0.0000000), wk = 0.0029070 k( 81) = ( 0.3151515 0.5458584 -0.0000000), wk = 0.0029070 k( 82) = ( 0.3090909 0.5353612 -0.0000000), wk = 0.0029070 k( 83) = ( 0.3030303 0.5248639 -0.0000000), wk = 0.0029070 k( 84) = ( 0.2969697 0.5143666 -0.0000000), wk = 0.0029070 k( 85) = ( 0.2909091 0.5038693 -0.0000000), wk = 0.0029070 k( 86) = ( 0.2848485 0.4933720 -0.0000000), wk = 0.0029070 k( 87) = ( 0.2787879 0.4828748 -0.0000000), wk = 0.0029070 k( 88) = ( 0.2727273 0.4723775 -0.0000000), wk = 0.0029070 k( 89) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0029070 k( 90) = ( 0.2606061 0.4513829 -0.0000000), wk = 0.0029070 k( 91) = ( 0.2545455 0.4408857 -0.0000000), wk = 0.0029070 k( 92) = ( 0.2484849 0.4303884 -0.0000000), wk = 0.0029070 k( 93) = ( 0.2424242 0.4198911 -0.0000000), wk = 0.0029070 k( 94) = ( 0.2363636 0.4093938 -0.0000000), wk = 0.0029070 k( 95) = ( 0.2303030 0.3988965 -0.0000000), wk = 0.0029070 k( 96) = ( 0.2242424 0.3883993 -0.0000000), wk = 0.0029070 k( 97) = ( 0.2181818 0.3779020 -0.0000000), wk = 0.0029070 k( 98) = ( 0.2121212 0.3674047 -0.0000000), wk = 0.0029070 k( 99) = ( 0.2060606 0.3569074 -0.0000000), wk = 0.0029070 k( 100) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0029070 k( 101) = ( 0.1939394 0.3359129 -0.0000000), wk = 0.0029070 k( 102) = ( 0.1878788 0.3254156 -0.0000000), wk = 0.0029070 k( 103) = ( 0.1818182 0.3149183 -0.0000000), wk = 0.0029070 k( 104) = ( 0.1757576 0.3044211 -0.0000000), wk = 0.0029070 k( 105) = ( 0.1696970 0.2939238 -0.0000000), wk = 0.0029070 k( 106) = ( 0.1636364 0.2834265 -0.0000000), wk = 0.0029070 k( 107) = ( 0.1575758 0.2729292 -0.0000000), wk = 0.0029070 k( 108) = ( 0.1515151 0.2624319 -0.0000000), wk = 0.0029070 k( 109) = ( 0.1454545 0.2519347 -0.0000000), wk = 0.0029070 k( 110) = ( 0.1393939 0.2414374 -0.0000000), wk = 0.0029070 k( 111) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0029070 k( 112) = ( 0.1272727 0.2204428 -0.0000000), wk = 0.0029070 k( 113) = ( 0.1212121 0.2099456 -0.0000000), wk = 0.0029070 k( 114) = ( 0.1151515 0.1994483 -0.0000000), wk = 0.0029070 k( 115) = ( 0.1090909 0.1889510 -0.0000000), wk = 0.0029070 k( 116) = ( 0.1030303 0.1784537 -0.0000000), wk = 0.0029070 k( 117) = ( 0.0969697 0.1679564 -0.0000000), wk = 0.0029070 k( 118) = ( 0.0909091 0.1574592 -0.0000000), wk = 0.0029070 k( 119) = ( 0.0848485 0.1469619 -0.0000000), wk = 0.0029070 k( 120) = ( 0.0787879 0.1364646 -0.0000000), wk = 0.0029070 k( 121) = ( 0.0727273 0.1259673 -0.0000000), wk = 0.0029070 k( 122) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0029070 k( 123) = ( 0.0606061 0.1049728 -0.0000000), wk = 0.0029070 k( 124) = ( 0.0545455 0.0944755 -0.0000000), wk = 0.0029070 k( 125) = ( 0.0484849 0.0839782 -0.0000000), wk = 0.0029070 k( 126) = ( 0.0424242 0.0734809 -0.0000000), wk = 0.0029070 k( 127) = ( 0.0363636 0.0629837 -0.0000000), wk = 0.0029070 k( 128) = ( 0.0303030 0.0524864 -0.0000000), wk = 0.0029070 k( 129) = ( 0.0242424 0.0419891 -0.0000000), wk = 0.0029070 k( 130) = ( 0.0181818 0.0314918 -0.0000000), wk = 0.0029070 k( 131) = ( 0.0121212 0.0209946 -0.0000000), wk = 0.0029070 k( 132) = ( 0.0060606 0.0104973 -0.0000000), wk = 0.0029070 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 135) = ( 0.0000000 0.0000000 0.0122055), wk = 0.0029070 k( 136) = ( 0.0000000 0.0000000 0.0244111), wk = 0.0029070 k( 137) = ( 0.0000000 0.0000000 0.0366166), wk = 0.0029070 k( 138) = ( 0.0000000 0.0000000 0.0488221), wk = 0.0029070 k( 139) = ( 0.0000000 0.0000000 0.0610277), wk = 0.0029070 k( 140) = ( 0.0000000 0.0000000 0.0732332), wk = 0.0029070 k( 141) = ( 0.0000000 0.0000000 0.0854387), wk = 0.0029070 k( 142) = ( 0.0000000 0.0000000 0.0976443), wk = 0.0029070 k( 143) = ( 0.0000000 0.0000000 0.1098498), wk = 0.0029070 k( 144) = ( 0.0000000 0.0000000 0.1220553), wk = 0.0029070 k( 145) = ( 0.0000000 0.0000000 0.1342609), wk = 0.0029070 k( 146) = ( 0.0000000 0.0000000 0.1464664), wk = 0.0029070 k( 147) = ( 0.0000000 0.0000000 0.1586719), wk = 0.0029070 k( 148) = ( 0.0000000 0.0000000 0.1708775), wk = 0.0029070 k( 149) = ( 0.0000000 0.0000000 0.1830830), wk = 0.0029070 k( 150) = ( 0.0000000 0.0000000 0.1952885), wk = 0.0029070 k( 151) = ( 0.0000000 0.0000000 0.2074941), wk = 0.0029070 k( 152) = ( 0.0000000 0.0000000 0.2196996), wk = 0.0029070 k( 153) = ( 0.0000000 0.0000000 0.2319051), wk = 0.0029070 k( 154) = ( 0.0000000 0.0000000 0.2441107), wk = 0.0029070 k( 155) = ( 0.0000000 0.0000000 0.2563162), wk = 0.0029070 k( 156) = ( 0.0000000 0.0000000 0.2685217), wk = 0.0029070 k( 157) = ( 0.0000000 0.0000000 0.2807273), wk = 0.0029070 k( 158) = ( 0.0000000 0.0000000 0.2929328), wk = 0.0029070 k( 159) = ( 0.0000000 0.0000000 0.3051383), wk = 0.0029070 k( 160) = ( 0.0000000 0.0000000 0.3051383), wk = 0.0029070 k( 161) = ( 0.0106383 0.0061420 0.3051383), wk = 0.0029070 k( 162) = ( 0.0212766 0.0122841 0.3051383), wk = 0.0029070 k( 163) = ( 0.0319149 0.0184261 0.3051383), wk = 0.0029070 k( 164) = ( 0.0425532 0.0245681 0.3051383), wk = 0.0029070 k( 165) = ( 0.0531915 0.0307101 0.3051383), wk = 0.0029070 k( 166) = ( 0.0638298 0.0368521 0.3051383), wk = 0.0029070 k( 167) = ( 0.0744681 0.0429942 0.3051383), wk = 0.0029070 k( 168) = ( 0.0851064 0.0491362 0.3051383), wk = 0.0029070 k( 169) = ( 0.0957447 0.0552782 0.3051383), wk = 0.0029070 k( 170) = ( 0.1063830 0.0614202 0.3051383), wk = 0.0029070 k( 171) = ( 0.1170213 0.0675623 0.3051383), wk = 0.0029070 k( 172) = ( 0.1276596 0.0737043 0.3051383), wk = 0.0029070 k( 173) = ( 0.1382979 0.0798463 0.3051383), wk = 0.0029070 k( 174) = ( 0.1489362 0.0859883 0.3051383), wk = 0.0029070 k( 175) = ( 0.1595745 0.0921304 0.3051383), wk = 0.0029070 k( 176) = ( 0.1702128 0.0982724 0.3051383), wk = 0.0029070 k( 177) = ( 0.1808511 0.1044144 0.3051383), wk = 0.0029070 k( 178) = ( 0.1914894 0.1105564 0.3051383), wk = 0.0029070 k( 179) = ( 0.2021277 0.1166985 0.3051383), wk = 0.0029070 k( 180) = ( 0.2127660 0.1228405 0.3051383), wk = 0.0029070 k( 181) = ( 0.2234043 0.1289825 0.3051383), wk = 0.0029070 k( 182) = ( 0.2340425 0.1351245 0.3051383), wk = 0.0029070 k( 183) = ( 0.2446809 0.1412666 0.3051383), wk = 0.0029070 k( 184) = ( 0.2553191 0.1474086 0.3051383), wk = 0.0029070 k( 185) = ( 0.2659574 0.1535506 0.3051383), wk = 0.0029070 k( 186) = ( 0.2765957 0.1596926 0.3051383), wk = 0.0029070 k( 187) = ( 0.2872340 0.1658347 0.3051383), wk = 0.0029070 k( 188) = ( 0.2978723 0.1719767 0.3051383), wk = 0.0029070 k( 189) = ( 0.3085106 0.1781187 0.3051383), wk = 0.0029070 k( 190) = ( 0.3191489 0.1842607 0.3051383), wk = 0.0029070 k( 191) = ( 0.3297872 0.1904027 0.3051383), wk = 0.0029070 k( 192) = ( 0.3404255 0.1965448 0.3051383), wk = 0.0029070 k( 193) = ( 0.3510638 0.2026868 0.3051383), wk = 0.0029070 k( 194) = ( 0.3617021 0.2088288 0.3051383), wk = 0.0029070 k( 195) = ( 0.3723404 0.2149708 0.3051383), wk = 0.0029070 k( 196) = ( 0.3829787 0.2211129 0.3051383), wk = 0.0029070 k( 197) = ( 0.3936170 0.2272549 0.3051383), wk = 0.0029070 k( 198) = ( 0.4042553 0.2333969 0.3051383), wk = 0.0029070 k( 199) = ( 0.4148936 0.2395389 0.3051383), wk = 0.0029070 k( 200) = ( 0.4255319 0.2456810 0.3051383), wk = 0.0029070 k( 201) = ( 0.4361702 0.2518230 0.3051383), wk = 0.0029070 k( 202) = ( 0.4468085 0.2579650 0.3051383), wk = 0.0029070 k( 203) = ( 0.4574468 0.2641070 0.3051383), wk = 0.0029070 k( 204) = ( 0.4680851 0.2702491 0.3051383), wk = 0.0029070 k( 205) = ( 0.4787234 0.2763911 0.3051383), wk = 0.0029070 k( 206) = ( 0.4893617 0.2825331 0.3051383), wk = 0.0029070 k( 207) = ( 0.5000000 0.2886751 0.3051383), wk = 0.0029070 k( 208) = ( 0.5000000 0.2886751 0.3051383), wk = 0.0029070 k( 209) = ( 0.4940476 0.2989850 0.3051383), wk = 0.0029070 k( 210) = ( 0.4880952 0.3092948 0.3051383), wk = 0.0029070 k( 211) = ( 0.4821429 0.3196046 0.3051383), wk = 0.0029070 k( 212) = ( 0.4761905 0.3299144 0.3051383), wk = 0.0029070 k( 213) = ( 0.4702381 0.3402243 0.3051383), wk = 0.0029070 k( 214) = ( 0.4642857 0.3505341 0.3051383), wk = 0.0029070 k( 215) = ( 0.4583333 0.3608439 0.3051383), wk = 0.0029070 k( 216) = ( 0.4523810 0.3711537 0.3051383), wk = 0.0029070 k( 217) = ( 0.4464286 0.3814636 0.3051383), wk = 0.0029070 k( 218) = ( 0.4404762 0.3917734 0.3051383), wk = 0.0029070 k( 219) = ( 0.4345238 0.4020832 0.3051383), wk = 0.0029070 k( 220) = ( 0.4285714 0.4123930 0.3051383), wk = 0.0029070 k( 221) = ( 0.4226190 0.4227029 0.3051383), wk = 0.0029070 k( 222) = ( 0.4166667 0.4330127 0.3051383), wk = 0.0029070 k( 223) = ( 0.4107143 0.4433225 0.3051383), wk = 0.0029070 k( 224) = ( 0.4047619 0.4536324 0.3051383), wk = 0.0029070 k( 225) = ( 0.3988095 0.4639422 0.3051383), wk = 0.0029070 k( 226) = ( 0.3928571 0.4742520 0.3051383), wk = 0.0029070 k( 227) = ( 0.3869048 0.4845618 0.3051383), wk = 0.0029070 k( 228) = ( 0.3809524 0.4948717 0.3051383), wk = 0.0029070 k( 229) = ( 0.3750000 0.5051815 0.3051383), wk = 0.0029070 k( 230) = ( 0.3690476 0.5154913 0.3051383), wk = 0.0029070 k( 231) = ( 0.3630952 0.5258011 0.3051383), wk = 0.0029070 k( 232) = ( 0.3571429 0.5361110 0.3051383), wk = 0.0029070 k( 233) = ( 0.3511905 0.5464208 0.3051383), wk = 0.0029070 k( 234) = ( 0.3452381 0.5567306 0.3051383), wk = 0.0029070 k( 235) = ( 0.3392857 0.5670404 0.3051383), wk = 0.0029070 k( 236) = ( 0.3333333 0.5773503 0.3051383), wk = 0.0029070 k( 237) = ( 0.3333333 0.5773503 0.3051383), wk = 0.0029070 k( 238) = ( 0.3272727 0.5668530 0.3051383), wk = 0.0029070 k( 239) = ( 0.3212121 0.5563557 0.3051383), wk = 0.0029070 k( 240) = ( 0.3151515 0.5458584 0.3051383), wk = 0.0029070 k( 241) = ( 0.3090909 0.5353612 0.3051383), wk = 0.0029070 k( 242) = ( 0.3030303 0.5248639 0.3051383), wk = 0.0029070 k( 243) = ( 0.2969697 0.5143666 0.3051383), wk = 0.0029070 k( 244) = ( 0.2909091 0.5038693 0.3051383), wk = 0.0029070 k( 245) = ( 0.2848485 0.4933720 0.3051383), wk = 0.0029070 k( 246) = ( 0.2787879 0.4828748 0.3051383), wk = 0.0029070 k( 247) = ( 0.2727273 0.4723775 0.3051383), wk = 0.0029070 k( 248) = ( 0.2666667 0.4618802 0.3051383), wk = 0.0029070 k( 249) = ( 0.2606061 0.4513829 0.3051383), wk = 0.0029070 k( 250) = ( 0.2545455 0.4408857 0.3051383), wk = 0.0029070 k( 251) = ( 0.2484849 0.4303884 0.3051383), wk = 0.0029070 k( 252) = ( 0.2424242 0.4198911 0.3051383), wk = 0.0029070 k( 253) = ( 0.2363636 0.4093938 0.3051383), wk = 0.0029070 k( 254) = ( 0.2303030 0.3988965 0.3051383), wk = 0.0029070 k( 255) = ( 0.2242424 0.3883993 0.3051383), wk = 0.0029070 k( 256) = ( 0.2181818 0.3779020 0.3051383), wk = 0.0029070 k( 257) = ( 0.2121212 0.3674047 0.3051383), wk = 0.0029070 k( 258) = ( 0.2060606 0.3569074 0.3051383), wk = 0.0029070 k( 259) = ( 0.2000000 0.3464102 0.3051383), wk = 0.0029070 k( 260) = ( 0.1939394 0.3359129 0.3051383), wk = 0.0029070 k( 261) = ( 0.1878788 0.3254156 0.3051383), wk = 0.0029070 k( 262) = ( 0.1818182 0.3149183 0.3051383), wk = 0.0029070 k( 263) = ( 0.1757576 0.3044211 0.3051383), wk = 0.0029070 k( 264) = ( 0.1696970 0.2939238 0.3051383), wk = 0.0029070 k( 265) = ( 0.1636364 0.2834265 0.3051383), wk = 0.0029070 k( 266) = ( 0.1575758 0.2729292 0.3051383), wk = 0.0029070 k( 267) = ( 0.1515151 0.2624319 0.3051383), wk = 0.0029070 k( 268) = ( 0.1454545 0.2519347 0.3051383), wk = 0.0029070 k( 269) = ( 0.1393939 0.2414374 0.3051383), wk = 0.0029070 k( 270) = ( 0.1333333 0.2309401 0.3051383), wk = 0.0029070 k( 271) = ( 0.1272727 0.2204428 0.3051383), wk = 0.0029070 k( 272) = ( 0.1212121 0.2099456 0.3051383), wk = 0.0029070 k( 273) = ( 0.1151515 0.1994483 0.3051383), wk = 0.0029070 k( 274) = ( 0.1090909 0.1889510 0.3051383), wk = 0.0029070 k( 275) = ( 0.1030303 0.1784537 0.3051383), wk = 0.0029070 k( 276) = ( 0.0969697 0.1679564 0.3051383), wk = 0.0029070 k( 277) = ( 0.0909091 0.1574592 0.3051383), wk = 0.0029070 k( 278) = ( 0.0848485 0.1469619 0.3051383), wk = 0.0029070 k( 279) = ( 0.0787879 0.1364646 0.3051383), wk = 0.0029070 k( 280) = ( 0.0727273 0.1259673 0.3051383), wk = 0.0029070 k( 281) = ( 0.0666667 0.1154701 0.3051383), wk = 0.0029070 k( 282) = ( 0.0606061 0.1049728 0.3051383), wk = 0.0029070 k( 283) = ( 0.0545455 0.0944755 0.3051383), wk = 0.0029070 k( 284) = ( 0.0484849 0.0839782 0.3051383), wk = 0.0029070 k( 285) = ( 0.0424242 0.0734809 0.3051383), wk = 0.0029070 k( 286) = ( 0.0363636 0.0629837 0.3051383), wk = 0.0029070 k( 287) = ( 0.0303030 0.0524864 0.3051383), wk = 0.0029070 k( 288) = ( 0.0242424 0.0419891 0.3051383), wk = 0.0029070 k( 289) = ( 0.0181818 0.0314918 0.3051383), wk = 0.0029070 k( 290) = ( 0.0121212 0.0209946 0.3051383), wk = 0.0029070 k( 291) = ( 0.0060606 0.0104973 0.3051383), wk = 0.0029070 k( 292) = ( 0.0000000 0.0000000 0.3051383), wk = 0.0029070 k( 293) = ( 0.5000000 0.2886751 0.3051383), wk = 0.0029070 k( 294) = ( 0.5000000 0.2886751 0.2929328), wk = 0.0029070 k( 295) = ( 0.5000000 0.2886751 0.2807273), wk = 0.0029070 k( 296) = ( 0.5000000 0.2886751 0.2685217), wk = 0.0029070 k( 297) = ( 0.5000000 0.2886751 0.2563162), wk = 0.0029070 k( 298) = ( 0.5000000 0.2886751 0.2441107), wk = 0.0029070 k( 299) = ( 0.5000000 0.2886751 0.2319051), wk = 0.0029070 k( 300) = ( 0.5000000 0.2886751 0.2196996), wk = 0.0029070 k( 301) = ( 0.5000000 0.2886751 0.2074941), wk = 0.0029070 k( 302) = ( 0.5000000 0.2886751 0.1952885), wk = 0.0029070 k( 303) = ( 0.5000000 0.2886751 0.1830830), wk = 0.0029070 k( 304) = ( 0.5000000 0.2886751 0.1708775), wk = 0.0029070 k( 305) = ( 0.5000000 0.2886751 0.1586719), wk = 0.0029070 k( 306) = ( 0.5000000 0.2886751 0.1464664), wk = 0.0029070 k( 307) = ( 0.5000000 0.2886751 0.1342609), wk = 0.0029070 k( 308) = ( 0.5000000 0.2886751 0.1220553), wk = 0.0029070 k( 309) = ( 0.5000000 0.2886751 0.1098498), wk = 0.0029070 k( 310) = ( 0.5000000 0.2886751 0.0976443), wk = 0.0029070 k( 311) = ( 0.5000000 0.2886751 0.0854387), wk = 0.0029070 k( 312) = ( 0.5000000 0.2886751 0.0732332), wk = 0.0029070 k( 313) = ( 0.5000000 0.2886751 0.0610277), wk = 0.0029070 k( 314) = ( 0.5000000 0.2886751 0.0488221), wk = 0.0029070 k( 315) = ( 0.5000000 0.2886751 0.0366166), wk = 0.0029070 k( 316) = ( 0.5000000 0.2886751 0.0244111), wk = 0.0029070 k( 317) = ( 0.5000000 0.2886751 0.0122055), wk = 0.0029070 k( 318) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029070 k( 319) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029070 k( 320) = ( 0.3333333 0.5773503 0.0122055), wk = 0.0029070 k( 321) = ( 0.3333333 0.5773503 0.0244111), wk = 0.0029070 k( 322) = ( 0.3333333 0.5773503 0.0366166), wk = 0.0029070 k( 323) = ( 0.3333333 0.5773503 0.0488221), wk = 0.0029070 k( 324) = ( 0.3333333 0.5773503 0.0610277), wk = 0.0029070 k( 325) = ( 0.3333333 0.5773503 0.0732332), wk = 0.0029070 k( 326) = ( 0.3333333 0.5773503 0.0854387), wk = 0.0029070 k( 327) = ( 0.3333333 0.5773503 0.0976443), wk = 0.0029070 k( 328) = ( 0.3333333 0.5773503 0.1098498), wk = 0.0029070 k( 329) = ( 0.3333333 0.5773503 0.1220553), wk = 0.0029070 k( 330) = ( 0.3333333 0.5773503 0.1342609), wk = 0.0029070 k( 331) = ( 0.3333333 0.5773503 0.1464664), wk = 0.0029070 k( 332) = ( 0.3333333 0.5773503 0.1586719), wk = 0.0029070 k( 333) = ( 0.3333333 0.5773503 0.1708775), wk = 0.0029070 k( 334) = ( 0.3333333 0.5773503 0.1830830), wk = 0.0029070 k( 335) = ( 0.3333333 0.5773503 0.1952885), wk = 0.0029070 k( 336) = ( 0.3333333 0.5773503 0.2074941), wk = 0.0029070 k( 337) = ( 0.3333333 0.5773503 0.2196996), wk = 0.0029070 k( 338) = ( 0.3333333 0.5773503 0.2319051), wk = 0.0029070 k( 339) = ( 0.3333333 0.5773503 0.2441107), wk = 0.0029070 k( 340) = ( 0.3333333 0.5773503 0.2563162), wk = 0.0029070 k( 341) = ( 0.3333333 0.5773503 0.2685217), wk = 0.0029070 k( 342) = ( 0.3333333 0.5773503 0.2807273), wk = 0.0029070 k( 343) = ( 0.3333333 0.5773503 0.2929328), wk = 0.0029070 k( 344) = ( 0.3333333 0.5773503 0.3051383), wk = 0.0029070 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 2) = ( 0.0106383 -0.0000000 0.0000000), wk = 0.0029070 k( 3) = ( 0.0212766 -0.0000000 0.0000000), wk = 0.0029070 k( 4) = ( 0.0319149 0.0000000 0.0000000), wk = 0.0029070 k( 5) = ( 0.0425532 -0.0000000 -0.0000000), wk = 0.0029070 k( 6) = ( 0.0531915 0.0000000 0.0000000), wk = 0.0029070 k( 7) = ( 0.0638298 0.0000000 -0.0000000), wk = 0.0029070 k( 8) = ( 0.0744681 -0.0000000 0.0000000), wk = 0.0029070 k( 9) = ( 0.0851064 -0.0000000 -0.0000000), wk = 0.0029070 k( 10) = ( 0.0957447 0.0000000 0.0000000), wk = 0.0029070 k( 11) = ( 0.1063830 0.0000000 0.0000000), wk = 0.0029070 k( 12) = ( 0.1170213 -0.0000000 0.0000000), wk = 0.0029070 k( 13) = ( 0.1276596 0.0000000 0.0000000), wk = 0.0029070 k( 14) = ( 0.1382979 0.0000000 0.0000000), wk = 0.0029070 k( 15) = ( 0.1489362 -0.0000000 -0.0000000), wk = 0.0029070 k( 16) = ( 0.1595745 0.0000000 0.0000000), wk = 0.0029070 k( 17) = ( 0.1702128 -0.0000000 -0.0000000), wk = 0.0029070 k( 18) = ( 0.1808511 -0.0000000 0.0000000), wk = 0.0029070 k( 19) = ( 0.1914894 0.0000000 0.0000000), wk = 0.0029070 k( 20) = ( 0.2021277 -0.0000000 -0.0000000), wk = 0.0029070 k( 21) = ( 0.2127660 0.0000000 0.0000000), wk = 0.0029070 k( 22) = ( 0.2234043 0.0000000 0.0000000), wk = 0.0029070 k( 23) = ( 0.2340425 0.0000000 -0.0000000), wk = 0.0029070 k( 24) = ( 0.2446809 -0.0000000 0.0000000), wk = 0.0029070 k( 25) = ( 0.2553191 0.0000000 -0.0000000), wk = 0.0029070 k( 26) = ( 0.2659574 0.0000000 0.0000000), wk = 0.0029070 k( 27) = ( 0.2765957 0.0000000 0.0000000), wk = 0.0029070 k( 28) = ( 0.2872340 0.0000000 0.0000000), wk = 0.0029070 k( 29) = ( 0.2978723 -0.0000000 -0.0000000), wk = 0.0029070 k( 30) = ( 0.3085106 0.0000000 0.0000000), wk = 0.0029070 k( 31) = ( 0.3191489 0.0000000 0.0000000), wk = 0.0029070 k( 32) = ( 0.3297872 -0.0000000 0.0000000), wk = 0.0029070 k( 33) = ( 0.3404255 0.0000000 0.0000000), wk = 0.0029070 k( 34) = ( 0.3510638 -0.0000000 -0.0000000), wk = 0.0029070 k( 35) = ( 0.3617021 -0.0000000 0.0000000), wk = 0.0029070 k( 36) = ( 0.3723404 -0.0000000 0.0000000), wk = 0.0029070 k( 37) = ( 0.3829787 0.0000000 0.0000000), wk = 0.0029070 k( 38) = ( 0.3936170 0.0000000 0.0000000), wk = 0.0029070 k( 39) = ( 0.4042553 -0.0000000 -0.0000000), wk = 0.0029070 k( 40) = ( 0.4148936 0.0000000 0.0000000), wk = 0.0029070 k( 41) = ( 0.4255319 -0.0000000 -0.0000000), wk = 0.0029070 k( 42) = ( 0.4361702 0.0000000 0.0000000), wk = 0.0029070 k( 43) = ( 0.4468085 -0.0000000 -0.0000000), wk = 0.0029070 k( 44) = ( 0.4574468 -0.0000000 -0.0000000), wk = 0.0029070 k( 45) = ( 0.4680851 0.0000000 -0.0000000), wk = 0.0029070 k( 46) = ( 0.4787234 -0.0000000 0.0000000), wk = 0.0029070 k( 47) = ( 0.4893617 -0.0000000 0.0000000), wk = 0.0029070 k( 48) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029070 k( 49) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029070 k( 50) = ( 0.4940476 0.0119048 -0.0000000), wk = 0.0029070 k( 51) = ( 0.4880952 0.0238095 -0.0000000), wk = 0.0029070 k( 52) = ( 0.4821429 0.0357143 -0.0000000), wk = 0.0029070 k( 53) = ( 0.4761905 0.0476191 0.0000000), wk = 0.0029070 k( 54) = ( 0.4702381 0.0595238 -0.0000000), wk = 0.0029070 k( 55) = ( 0.4642857 0.0714286 -0.0000000), wk = 0.0029070 k( 56) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0029070 k( 57) = ( 0.4523810 0.0952381 -0.0000000), wk = 0.0029070 k( 58) = ( 0.4464286 0.1071429 0.0000000), wk = 0.0029070 k( 59) = ( 0.4404762 0.1190476 0.0000000), wk = 0.0029070 k( 60) = ( 0.4345238 0.1309524 -0.0000000), wk = 0.0029070 k( 61) = ( 0.4285714 0.1428571 0.0000000), wk = 0.0029070 k( 62) = ( 0.4226190 0.1547619 -0.0000000), wk = 0.0029070 k( 63) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0029070 k( 64) = ( 0.4107143 0.1785714 0.0000000), wk = 0.0029070 k( 65) = ( 0.4047619 0.1904762 -0.0000000), wk = 0.0029070 k( 66) = ( 0.3988095 0.2023810 0.0000000), wk = 0.0029070 k( 67) = ( 0.3928571 0.2142857 0.0000000), wk = 0.0029070 k( 68) = ( 0.3869048 0.2261905 -0.0000000), wk = 0.0029070 k( 69) = ( 0.3809524 0.2380952 -0.0000000), wk = 0.0029070 k( 70) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0029070 k( 71) = ( 0.3690476 0.2619048 -0.0000000), wk = 0.0029070 k( 72) = ( 0.3630952 0.2738095 0.0000000), wk = 0.0029070 k( 73) = ( 0.3571429 0.2857143 -0.0000000), wk = 0.0029070 k( 74) = ( 0.3511905 0.2976190 -0.0000000), wk = 0.0029070 k( 75) = ( 0.3452381 0.3095238 0.0000000), wk = 0.0029070 k( 76) = ( 0.3392857 0.3214286 0.0000000), wk = 0.0029070 k( 77) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029070 k( 78) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029070 k( 79) = ( 0.3272727 0.3272727 0.0000000), wk = 0.0029070 k( 80) = ( 0.3212121 0.3212121 0.0000000), wk = 0.0029070 k( 81) = ( 0.3151515 0.3151515 -0.0000000), wk = 0.0029070 k( 82) = ( 0.3090909 0.3090909 0.0000000), wk = 0.0029070 k( 83) = ( 0.3030303 0.3030303 0.0000000), wk = 0.0029070 k( 84) = ( 0.2969697 0.2969697 0.0000000), wk = 0.0029070 k( 85) = ( 0.2909091 0.2909091 -0.0000000), wk = 0.0029070 k( 86) = ( 0.2848485 0.2848485 0.0000000), wk = 0.0029070 k( 87) = ( 0.2787879 0.2787879 -0.0000000), wk = 0.0029070 k( 88) = ( 0.2727273 0.2727273 -0.0000000), wk = 0.0029070 k( 89) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0029070 k( 90) = ( 0.2606061 0.2606061 -0.0000000), wk = 0.0029070 k( 91) = ( 0.2545455 0.2545455 -0.0000000), wk = 0.0029070 k( 92) = ( 0.2484849 0.2484849 -0.0000000), wk = 0.0029070 k( 93) = ( 0.2424242 0.2424242 0.0000000), wk = 0.0029070 k( 94) = ( 0.2363636 0.2363636 0.0000000), wk = 0.0029070 k( 95) = ( 0.2303030 0.2303030 0.0000000), wk = 0.0029070 k( 96) = ( 0.2242424 0.2242424 -0.0000000), wk = 0.0029070 k( 97) = ( 0.2181818 0.2181818 0.0000000), wk = 0.0029070 k( 98) = ( 0.2121212 0.2121212 -0.0000000), wk = 0.0029070 k( 99) = ( 0.2060606 0.2060606 -0.0000000), wk = 0.0029070 k( 100) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0029070 k( 101) = ( 0.1939394 0.1939394 0.0000000), wk = 0.0029070 k( 102) = ( 0.1878788 0.1878788 -0.0000000), wk = 0.0029070 k( 103) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0029070 k( 104) = ( 0.1757576 0.1757576 0.0000000), wk = 0.0029070 k( 105) = ( 0.1696970 0.1696970 0.0000000), wk = 0.0029070 k( 106) = ( 0.1636364 0.1636364 -0.0000000), wk = 0.0029070 k( 107) = ( 0.1575758 0.1575758 -0.0000000), wk = 0.0029070 k( 108) = ( 0.1515151 0.1515151 0.0000000), wk = 0.0029070 k( 109) = ( 0.1454545 0.1454545 0.0000000), wk = 0.0029070 k( 110) = ( 0.1393939 0.1393939 -0.0000000), wk = 0.0029070 k( 111) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0029070 k( 112) = ( 0.1272727 0.1272727 -0.0000000), wk = 0.0029070 k( 113) = ( 0.1212121 0.1212121 0.0000000), wk = 0.0029070 k( 114) = ( 0.1151515 0.1151515 -0.0000000), wk = 0.0029070 k( 115) = ( 0.1090909 0.1090909 0.0000000), wk = 0.0029070 k( 116) = ( 0.1030303 0.1030303 0.0000000), wk = 0.0029070 k( 117) = ( 0.0969697 0.0969697 -0.0000000), wk = 0.0029070 k( 118) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0029070 k( 119) = ( 0.0848485 0.0848485 -0.0000000), wk = 0.0029070 k( 120) = ( 0.0787879 0.0787879 -0.0000000), wk = 0.0029070 k( 121) = ( 0.0727273 0.0727273 -0.0000000), wk = 0.0029070 k( 122) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0029070 k( 123) = ( 0.0606061 0.0606061 0.0000000), wk = 0.0029070 k( 124) = ( 0.0545455 0.0545455 0.0000000), wk = 0.0029070 k( 125) = ( 0.0484849 0.0484849 -0.0000000), wk = 0.0029070 k( 126) = ( 0.0424242 0.0424242 -0.0000000), wk = 0.0029070 k( 127) = ( 0.0363636 0.0363636 0.0000000), wk = 0.0029070 k( 128) = ( 0.0303030 0.0303030 0.0000000), wk = 0.0029070 k( 129) = ( 0.0242424 0.0242424 0.0000000), wk = 0.0029070 k( 130) = ( 0.0181818 0.0181818 0.0000000), wk = 0.0029070 k( 131) = ( 0.0121212 0.0121212 0.0000000), wk = 0.0029070 k( 132) = ( 0.0060606 0.0060606 -0.0000000), wk = 0.0029070 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 135) = ( 0.0000000 0.0000000 0.0200000), wk = 0.0029070 k( 136) = ( 0.0000000 0.0000000 0.0400000), wk = 0.0029070 k( 137) = ( 0.0000000 0.0000000 0.0600000), wk = 0.0029070 k( 138) = ( 0.0000000 0.0000000 0.0800000), wk = 0.0029070 k( 139) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0029070 k( 140) = ( 0.0000000 0.0000000 0.1200000), wk = 0.0029070 k( 141) = ( 0.0000000 0.0000000 0.1400000), wk = 0.0029070 k( 142) = ( 0.0000000 0.0000000 0.1600000), wk = 0.0029070 k( 143) = ( 0.0000000 0.0000000 0.1800000), wk = 0.0029070 k( 144) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0029070 k( 145) = ( 0.0000000 0.0000000 0.2200000), wk = 0.0029070 k( 146) = ( 0.0000000 0.0000000 0.2400000), wk = 0.0029070 k( 147) = ( 0.0000000 0.0000000 0.2600000), wk = 0.0029070 k( 148) = ( 0.0000000 0.0000000 0.2800000), wk = 0.0029070 k( 149) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0029070 k( 150) = ( 0.0000000 0.0000000 0.3200000), wk = 0.0029070 k( 151) = ( 0.0000000 0.0000000 0.3400000), wk = 0.0029070 k( 152) = ( 0.0000000 0.0000000 0.3600000), wk = 0.0029070 k( 153) = ( 0.0000000 0.0000000 0.3800000), wk = 0.0029070 k( 154) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0029070 k( 155) = ( 0.0000000 0.0000000 0.4200000), wk = 0.0029070 k( 156) = ( 0.0000000 0.0000000 0.4400000), wk = 0.0029070 k( 157) = ( 0.0000000 0.0000000 0.4600000), wk = 0.0029070 k( 158) = ( 0.0000000 0.0000000 0.4800000), wk = 0.0029070 k( 159) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029070 k( 160) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029070 k( 161) = ( 0.0106383 -0.0000000 0.5000000), wk = 0.0029070 k( 162) = ( 0.0212766 -0.0000000 0.5000000), wk = 0.0029070 k( 163) = ( 0.0319149 0.0000000 0.5000000), wk = 0.0029070 k( 164) = ( 0.0425532 -0.0000000 0.5000000), wk = 0.0029070 k( 165) = ( 0.0531915 0.0000000 0.5000000), wk = 0.0029070 k( 166) = ( 0.0638298 0.0000000 0.5000000), wk = 0.0029070 k( 167) = ( 0.0744681 -0.0000000 0.5000000), wk = 0.0029070 k( 168) = ( 0.0851064 -0.0000000 0.5000000), wk = 0.0029070 k( 169) = ( 0.0957447 0.0000000 0.5000000), wk = 0.0029070 k( 170) = ( 0.1063830 0.0000000 0.5000000), wk = 0.0029070 k( 171) = ( 0.1170213 -0.0000000 0.5000000), wk = 0.0029070 k( 172) = ( 0.1276596 0.0000000 0.5000000), wk = 0.0029070 k( 173) = ( 0.1382979 0.0000000 0.5000000), wk = 0.0029070 k( 174) = ( 0.1489362 -0.0000000 0.5000000), wk = 0.0029070 k( 175) = ( 0.1595745 0.0000000 0.5000000), wk = 0.0029070 k( 176) = ( 0.1702128 -0.0000000 0.5000000), wk = 0.0029070 k( 177) = ( 0.1808511 -0.0000000 0.5000000), wk = 0.0029070 k( 178) = ( 0.1914894 0.0000000 0.5000000), wk = 0.0029070 k( 179) = ( 0.2021277 -0.0000000 0.5000000), wk = 0.0029070 k( 180) = ( 0.2127660 0.0000000 0.5000000), wk = 0.0029070 k( 181) = ( 0.2234043 0.0000000 0.5000000), wk = 0.0029070 k( 182) = ( 0.2340425 0.0000000 0.5000000), wk = 0.0029070 k( 183) = ( 0.2446809 -0.0000000 0.5000000), wk = 0.0029070 k( 184) = ( 0.2553191 0.0000000 0.5000000), wk = 0.0029070 k( 185) = ( 0.2659574 0.0000000 0.5000000), wk = 0.0029070 k( 186) = ( 0.2765957 0.0000000 0.5000000), wk = 0.0029070 k( 187) = ( 0.2872340 0.0000000 0.5000000), wk = 0.0029070 k( 188) = ( 0.2978723 -0.0000000 0.5000000), wk = 0.0029070 k( 189) = ( 0.3085106 0.0000000 0.5000000), wk = 0.0029070 k( 190) = ( 0.3191489 0.0000000 0.5000000), wk = 0.0029070 k( 191) = ( 0.3297872 -0.0000000 0.5000000), wk = 0.0029070 k( 192) = ( 0.3404255 0.0000000 0.5000000), wk = 0.0029070 k( 193) = ( 0.3510638 -0.0000000 0.5000000), wk = 0.0029070 k( 194) = ( 0.3617021 -0.0000000 0.5000000), wk = 0.0029070 k( 195) = ( 0.3723404 -0.0000000 0.5000000), wk = 0.0029070 k( 196) = ( 0.3829787 0.0000000 0.5000000), wk = 0.0029070 k( 197) = ( 0.3936170 0.0000000 0.5000000), wk = 0.0029070 k( 198) = ( 0.4042553 -0.0000000 0.5000000), wk = 0.0029070 k( 199) = ( 0.4148936 0.0000000 0.5000000), wk = 0.0029070 k( 200) = ( 0.4255319 -0.0000000 0.5000000), wk = 0.0029070 k( 201) = ( 0.4361702 0.0000000 0.5000000), wk = 0.0029070 k( 202) = ( 0.4468085 -0.0000000 0.5000000), wk = 0.0029070 k( 203) = ( 0.4574468 -0.0000000 0.5000000), wk = 0.0029070 k( 204) = ( 0.4680851 0.0000000 0.5000000), wk = 0.0029070 k( 205) = ( 0.4787234 -0.0000000 0.5000000), wk = 0.0029070 k( 206) = ( 0.4893617 -0.0000000 0.5000000), wk = 0.0029070 k( 207) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029070 k( 208) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029070 k( 209) = ( 0.4940476 0.0119048 0.5000000), wk = 0.0029070 k( 210) = ( 0.4880952 0.0238095 0.5000000), wk = 0.0029070 k( 211) = ( 0.4821429 0.0357143 0.5000000), wk = 0.0029070 k( 212) = ( 0.4761905 0.0476191 0.5000000), wk = 0.0029070 k( 213) = ( 0.4702381 0.0595238 0.5000000), wk = 0.0029070 k( 214) = ( 0.4642857 0.0714286 0.5000000), wk = 0.0029070 k( 215) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0029070 k( 216) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0029070 k( 217) = ( 0.4464286 0.1071429 0.5000000), wk = 0.0029070 k( 218) = ( 0.4404762 0.1190476 0.5000000), wk = 0.0029070 k( 219) = ( 0.4345238 0.1309524 0.5000000), wk = 0.0029070 k( 220) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0029070 k( 221) = ( 0.4226190 0.1547619 0.5000000), wk = 0.0029070 k( 222) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0029070 k( 223) = ( 0.4107143 0.1785714 0.5000000), wk = 0.0029070 k( 224) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0029070 k( 225) = ( 0.3988095 0.2023810 0.5000000), wk = 0.0029070 k( 226) = ( 0.3928571 0.2142857 0.5000000), wk = 0.0029070 k( 227) = ( 0.3869048 0.2261905 0.5000000), wk = 0.0029070 k( 228) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0029070 k( 229) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0029070 k( 230) = ( 0.3690476 0.2619048 0.5000000), wk = 0.0029070 k( 231) = ( 0.3630952 0.2738095 0.5000000), wk = 0.0029070 k( 232) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0029070 k( 233) = ( 0.3511905 0.2976190 0.5000000), wk = 0.0029070 k( 234) = ( 0.3452381 0.3095238 0.5000000), wk = 0.0029070 k( 235) = ( 0.3392857 0.3214286 0.5000000), wk = 0.0029070 k( 236) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029070 k( 237) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029070 k( 238) = ( 0.3272727 0.3272727 0.5000000), wk = 0.0029070 k( 239) = ( 0.3212121 0.3212121 0.5000000), wk = 0.0029070 k( 240) = ( 0.3151515 0.3151515 0.5000000), wk = 0.0029070 k( 241) = ( 0.3090909 0.3090909 0.5000000), wk = 0.0029070 k( 242) = ( 0.3030303 0.3030303 0.5000000), wk = 0.0029070 k( 243) = ( 0.2969697 0.2969697 0.5000000), wk = 0.0029070 k( 244) = ( 0.2909091 0.2909091 0.5000000), wk = 0.0029070 k( 245) = ( 0.2848485 0.2848485 0.5000000), wk = 0.0029070 k( 246) = ( 0.2787879 0.2787879 0.5000000), wk = 0.0029070 k( 247) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0029070 k( 248) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0029070 k( 249) = ( 0.2606061 0.2606061 0.5000000), wk = 0.0029070 k( 250) = ( 0.2545455 0.2545455 0.5000000), wk = 0.0029070 k( 251) = ( 0.2484849 0.2484849 0.5000000), wk = 0.0029070 k( 252) = ( 0.2424242 0.2424242 0.5000000), wk = 0.0029070 k( 253) = ( 0.2363636 0.2363636 0.5000000), wk = 0.0029070 k( 254) = ( 0.2303030 0.2303030 0.5000000), wk = 0.0029070 k( 255) = ( 0.2242424 0.2242424 0.5000000), wk = 0.0029070 k( 256) = ( 0.2181818 0.2181818 0.5000000), wk = 0.0029070 k( 257) = ( 0.2121212 0.2121212 0.5000000), wk = 0.0029070 k( 258) = ( 0.2060606 0.2060606 0.5000000), wk = 0.0029070 k( 259) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0029070 k( 260) = ( 0.1939394 0.1939394 0.5000000), wk = 0.0029070 k( 261) = ( 0.1878788 0.1878788 0.5000000), wk = 0.0029070 k( 262) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0029070 k( 263) = ( 0.1757576 0.1757576 0.5000000), wk = 0.0029070 k( 264) = ( 0.1696970 0.1696970 0.5000000), wk = 0.0029070 k( 265) = ( 0.1636364 0.1636364 0.5000000), wk = 0.0029070 k( 266) = ( 0.1575758 0.1575758 0.5000000), wk = 0.0029070 k( 267) = ( 0.1515151 0.1515151 0.5000000), wk = 0.0029070 k( 268) = ( 0.1454545 0.1454545 0.5000000), wk = 0.0029070 k( 269) = ( 0.1393939 0.1393939 0.5000000), wk = 0.0029070 k( 270) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0029070 k( 271) = ( 0.1272727 0.1272727 0.5000000), wk = 0.0029070 k( 272) = ( 0.1212121 0.1212121 0.5000000), wk = 0.0029070 k( 273) = ( 0.1151515 0.1151515 0.5000000), wk = 0.0029070 k( 274) = ( 0.1090909 0.1090909 0.5000000), wk = 0.0029070 k( 275) = ( 0.1030303 0.1030303 0.5000000), wk = 0.0029070 k( 276) = ( 0.0969697 0.0969697 0.5000000), wk = 0.0029070 k( 277) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0029070 k( 278) = ( 0.0848485 0.0848485 0.5000000), wk = 0.0029070 k( 279) = ( 0.0787879 0.0787879 0.5000000), wk = 0.0029070 k( 280) = ( 0.0727273 0.0727273 0.5000000), wk = 0.0029070 k( 281) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0029070 k( 282) = ( 0.0606061 0.0606061 0.5000000), wk = 0.0029070 k( 283) = ( 0.0545455 0.0545455 0.5000000), wk = 0.0029070 k( 284) = ( 0.0484849 0.0484849 0.5000000), wk = 0.0029070 k( 285) = ( 0.0424242 0.0424242 0.5000000), wk = 0.0029070 k( 286) = ( 0.0363636 0.0363636 0.5000000), wk = 0.0029070 k( 287) = ( 0.0303030 0.0303030 0.5000000), wk = 0.0029070 k( 288) = ( 0.0242424 0.0242424 0.5000000), wk = 0.0029070 k( 289) = ( 0.0181818 0.0181818 0.5000000), wk = 0.0029070 k( 290) = ( 0.0121212 0.0121212 0.5000000), wk = 0.0029070 k( 291) = ( 0.0060606 0.0060606 0.5000000), wk = 0.0029070 k( 292) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029070 k( 293) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029070 k( 294) = ( 0.5000000 0.0000000 0.4800000), wk = 0.0029070 k( 295) = ( 0.5000000 0.0000000 0.4600000), wk = 0.0029070 k( 296) = ( 0.5000000 0.0000000 0.4400000), wk = 0.0029070 k( 297) = ( 0.5000000 0.0000000 0.4200000), wk = 0.0029070 k( 298) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0029070 k( 299) = ( 0.5000000 0.0000000 0.3800000), wk = 0.0029070 k( 300) = ( 0.5000000 0.0000000 0.3600000), wk = 0.0029070 k( 301) = ( 0.5000000 0.0000000 0.3400000), wk = 0.0029070 k( 302) = ( 0.5000000 0.0000000 0.3200000), wk = 0.0029070 k( 303) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0029070 k( 304) = ( 0.5000000 0.0000000 0.2800000), wk = 0.0029070 k( 305) = ( 0.5000000 0.0000000 0.2600000), wk = 0.0029070 k( 306) = ( 0.5000000 0.0000000 0.2400000), wk = 0.0029070 k( 307) = ( 0.5000000 0.0000000 0.2200000), wk = 0.0029070 k( 308) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0029070 k( 309) = ( 0.5000000 0.0000000 0.1800000), wk = 0.0029070 k( 310) = ( 0.5000000 0.0000000 0.1600000), wk = 0.0029070 k( 311) = ( 0.5000000 0.0000000 0.1400000), wk = 0.0029070 k( 312) = ( 0.5000000 0.0000000 0.1200000), wk = 0.0029070 k( 313) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0029070 k( 314) = ( 0.5000000 0.0000000 0.0800000), wk = 0.0029070 k( 315) = ( 0.5000000 0.0000000 0.0600000), wk = 0.0029070 k( 316) = ( 0.5000000 0.0000000 0.0400000), wk = 0.0029070 k( 317) = ( 0.5000000 0.0000000 0.0200000), wk = 0.0029070 k( 318) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029070 k( 319) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029070 k( 320) = ( 0.3333333 0.3333333 0.0200000), wk = 0.0029070 k( 321) = ( 0.3333333 0.3333333 0.0400000), wk = 0.0029070 k( 322) = ( 0.3333333 0.3333333 0.0600000), wk = 0.0029070 k( 323) = ( 0.3333333 0.3333333 0.0800000), wk = 0.0029070 k( 324) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0029070 k( 325) = ( 0.3333333 0.3333333 0.1200000), wk = 0.0029070 k( 326) = ( 0.3333333 0.3333333 0.1400000), wk = 0.0029070 k( 327) = ( 0.3333333 0.3333333 0.1600000), wk = 0.0029070 k( 328) = ( 0.3333333 0.3333333 0.1800000), wk = 0.0029070 k( 329) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0029070 k( 330) = ( 0.3333333 0.3333333 0.2200000), wk = 0.0029070 k( 331) = ( 0.3333333 0.3333333 0.2400000), wk = 0.0029070 k( 332) = ( 0.3333333 0.3333333 0.2600000), wk = 0.0029070 k( 333) = ( 0.3333333 0.3333333 0.2800000), wk = 0.0029070 k( 334) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0029070 k( 335) = ( 0.3333333 0.3333333 0.3200000), wk = 0.0029070 k( 336) = ( 0.3333333 0.3333333 0.3400000), wk = 0.0029070 k( 337) = ( 0.3333333 0.3333333 0.3600000), wk = 0.0029070 k( 338) = ( 0.3333333 0.3333333 0.3800000), wk = 0.0029070 k( 339) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0029070 k( 340) = ( 0.3333333 0.3333333 0.4200000), wk = 0.0029070 k( 341) = ( 0.3333333 0.3333333 0.4400000), wk = 0.0029070 k( 342) = ( 0.3333333 0.3333333 0.4600000), wk = 0.0029070 k( 343) = ( 0.3333333 0.3333333 0.4800000), wk = 0.0029070 k( 344) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029070 Dense grid: 53199 G-vectors FFT dimensions: ( 45, 45, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.26 Mb ( 380, 44) NL pseudopotentials 0.39 Mb ( 190, 136) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1476) G-vector shells 0.00 Mb ( 613) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.02 Mb ( 380, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.18 Mb ( 136, 2, 44) The potential is recalculated from file : ./TiTe.save/charge-density.dat Starting wfc are 16 randomized atomic wfcs + 28 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 2.8 secs Computing kpt #: 3 total cpu time spent up to now is 3.4 secs Computing kpt #: 4 total cpu time spent up to now is 4.1 secs Computing kpt #: 5 total cpu time spent up to now is 4.7 secs Computing kpt #: 6 total cpu time spent up to now is 5.4 secs Computing kpt #: 7 total cpu time spent up to now is 6.1 secs Computing kpt #: 8 total cpu time spent up to now is 6.7 secs Computing kpt #: 9 total cpu time spent up to now is 7.3 secs Computing kpt #: 10 total cpu time spent up to now is 8.0 secs Computing kpt #: 11 total cpu time spent up to now is 8.7 secs Computing kpt #: 12 total cpu time spent up to now is 9.4 secs Computing kpt #: 13 total cpu time spent up to now is 10.1 secs Computing kpt #: 14 total cpu time spent up to now is 10.8 secs Computing kpt #: 15 total cpu time spent up to now is 11.5 secs Computing kpt #: 16 total cpu time spent up to now is 12.2 secs Computing kpt #: 17 total cpu time spent up to now is 13.0 secs Computing kpt #: 18 total cpu time spent up to now is 13.9 secs Computing kpt #: 19 total cpu time spent up to now is 14.7 secs Computing kpt #: 20 total cpu time spent up to now is 15.7 secs Computing kpt #: 21 total cpu time spent up to now is 16.6 secs Computing kpt #: 22 total cpu time spent up to now is 17.6 secs Computing kpt #: 23 total cpu time spent up to now is 18.9 secs Computing kpt #: 24 total cpu time spent up to now is 19.9 secs Computing kpt #: 25 total cpu time spent up to now is 20.7 secs Computing kpt #: 26 total cpu time spent up to now is 21.6 secs Computing kpt #: 27 total cpu time spent up to now is 22.5 secs Computing kpt #: 28 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 24.1 secs Computing kpt #: 29 total cpu time spent up to now is 24.9 secs Computing kpt #: 30 total cpu time spent up to now is 26.0 secs Computing kpt #: 31 total cpu time spent up to now is 26.9 secs Computing kpt #: 32 total cpu time spent up to now is 27.8 secs Computing kpt #: 33 total cpu time spent up to now is 28.6 secs Computing kpt #: 34 total cpu time spent up to now is 29.5 secs Computing kpt #: 35 total cpu time spent up to now is 30.5 secs Computing kpt #: 36 total cpu time spent up to now is 31.6 secs Computing kpt #: 37 total cpu time spent up to now is 32.7 secs Computing kpt #: 38 total cpu time spent up to now is 33.7 secs Computing kpt #: 39 total cpu time spent up to now is 34.6 secs Computing kpt #: 40 total cpu time spent up to now is 35.4 secs Computing kpt #: 41 total cpu time spent up to now is 36.2 secs Computing kpt #: 42 total cpu time spent up to now is 37.2 secs Computing kpt #: 43 total cpu time spent up to now is 38.2 secs Computing kpt #: 44 total cpu time spent up to now is 39.1 secs Computing kpt #: 45 total cpu time spent up to now is 40.1 secs Computing kpt #: 46 total cpu time spent up to now is 41.0 secs Computing kpt #: 47 total cpu time spent up to now is 41.9 secs Computing kpt #: 48 total cpu time spent up to now is 42.9 secs Computing kpt #: 49 total cpu time spent up to now is 43.8 secs Computing kpt #: 50 total cpu time spent up to now is 44.7 secs Computing kpt #: 51 total cpu time spent up to now is 45.7 secs Computing kpt #: 52 total cpu time spent up to now is 46.7 secs Computing kpt #: 53 total cpu time spent up to now is 47.7 secs Computing kpt #: 54 total cpu time spent up to now is 48.7 secs Computing kpt #: 55 total cpu time spent up to now is 49.8 secs Computing kpt #: 56 total cpu time spent up to now is 51.1 secs Computing kpt #: 57 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 52.7 secs Computing kpt #: 58 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 54.3 secs Computing kpt #: 59 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 55.9 secs Computing kpt #: 60 total cpu time spent up to now is 57.0 secs Computing kpt #: 61 total cpu time spent up to now is 58.1 secs Computing kpt #: 62 total cpu time spent up to now is 59.0 secs Computing kpt #: 63 total cpu time spent up to now is 59.9 secs Computing kpt #: 64 total cpu time spent up to now is 60.7 secs Computing kpt #: 65 total cpu time spent up to now is 61.6 secs Computing kpt #: 66 total cpu time spent up to now is 62.4 secs Computing kpt #: 67 total cpu time spent up to now is 63.5 secs Computing kpt #: 68 total cpu time spent up to now is 64.6 secs Computing kpt #: 69 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 66.2 secs Computing kpt #: 70 total cpu time spent up to now is 67.0 secs Computing kpt #: 71 total cpu time spent up to now is 67.8 secs Computing kpt #: 72 total cpu time spent up to now is 68.7 secs Computing kpt #: 73 total cpu time spent up to now is 69.5 secs Computing kpt #: 74 total cpu time spent up to now is 70.4 secs Computing kpt #: 75 total cpu time spent up to now is 71.2 secs Computing kpt #: 76 total cpu time spent up to now is 72.0 secs Computing kpt #: 77 total cpu time spent up to now is 72.7 secs Computing kpt #: 78 total cpu time spent up to now is 73.6 secs Computing kpt #: 79 total cpu time spent up to now is 74.4 secs Computing kpt #: 80 total cpu time spent up to now is 75.2 secs Computing kpt #: 81 total cpu time spent up to now is 76.0 secs Computing kpt #: 82 total cpu time spent up to now is 76.9 secs Computing kpt #: 83 total cpu time spent up to now is 77.7 secs Computing kpt #: 84 total cpu time spent up to now is 78.6 secs Computing kpt #: 85 total cpu time spent up to now is 79.5 secs Computing kpt #: 86 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 81.1 secs Computing kpt #: 87 total cpu time spent up to now is 82.6 secs Computing kpt #: 88 total cpu time spent up to now is 83.8 secs Computing kpt #: 89 total cpu time spent up to now is 84.7 secs Computing kpt #: 90 total cpu time spent up to now is 85.9 secs Computing kpt #: 91 total cpu time spent up to now is 87.1 secs Computing kpt #: 92 total cpu time spent up to now is 88.3 secs Computing kpt #: 93 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 89.9 secs Computing kpt #: 94 total cpu time spent up to now is 91.4 secs Computing kpt #: 95 total cpu time spent up to now is 92.2 secs Computing kpt #: 96 total cpu time spent up to now is 93.0 secs Computing kpt #: 97 total cpu time spent up to now is 93.9 secs Computing kpt #: 98 total cpu time spent up to now is 94.7 secs Computing kpt #: 99 total cpu time spent up to now is 95.5 secs Computing kpt #: 100 total cpu time spent up to now is 96.3 secs Computing kpt #: 101 total cpu time spent up to now is 97.1 secs Computing kpt #: 102 total cpu time spent up to now is 97.9 secs Computing kpt #: 103 total cpu time spent up to now is 98.9 secs Computing kpt #: 104 total cpu time spent up to now is 99.7 secs Computing kpt #: 105 total cpu time spent up to now is 100.5 secs Computing kpt #: 106 total cpu time spent up to now is 101.4 secs Computing kpt #: 107 total cpu time spent up to now is 102.2 secs Computing kpt #: 108 total cpu time spent up to now is 103.1 secs Computing kpt #: 109 total cpu time spent up to now is 104.0 secs Computing kpt #: 110 total cpu time spent up to now is 104.9 secs Computing kpt #: 111 total cpu time spent up to now is 105.8 secs Computing kpt #: 112 total cpu time spent up to now is 106.7 secs Computing kpt #: 113 total cpu time spent up to now is 107.7 secs Computing kpt #: 114 total cpu time spent up to now is 108.6 secs Computing kpt #: 115 total cpu time spent up to now is 109.5 secs Computing kpt #: 116 total cpu time spent up to now is 110.3 secs Computing kpt #: 117 total cpu time spent up to now is 111.0 secs Computing kpt #: 118 total cpu time spent up to now is 111.8 secs Computing kpt #: 119 total cpu time spent up to now is 112.6 secs Computing kpt #: 120 total cpu time spent up to now is 113.2 secs Computing kpt #: 121 total cpu time spent up to now is 113.9 secs Computing kpt #: 122 total cpu time spent up to now is 114.6 secs Computing kpt #: 123 total cpu time spent up to now is 115.3 secs Computing kpt #: 124 total cpu time spent up to now is 115.9 secs Computing kpt #: 125 total cpu time spent up to now is 116.6 secs Computing kpt #: 126 total cpu time spent up to now is 117.3 secs Computing kpt #: 127 total cpu time spent up to now is 117.9 secs Computing kpt #: 128 total cpu time spent up to now is 118.6 secs Computing kpt #: 129 total cpu time spent up to now is 119.2 secs Computing kpt #: 130 total cpu time spent up to now is 119.9 secs Computing kpt #: 131 total cpu time spent up to now is 120.6 secs Computing kpt #: 132 total cpu time spent up to now is 121.2 secs Computing kpt #: 133 total cpu time spent up to now is 121.9 secs Computing kpt #: 134 total cpu time spent up to now is 122.5 secs Computing kpt #: 135 total cpu time spent up to now is 123.2 secs Computing kpt #: 136 total cpu time spent up to now is 123.9 secs Computing kpt #: 137 total cpu time spent up to now is 124.6 secs Computing kpt #: 138 total cpu time spent up to now is 125.2 secs Computing kpt #: 139 total cpu time spent up to now is 125.9 secs Computing kpt #: 140 total cpu time spent up to now is 126.6 secs Computing kpt #: 141 total cpu time spent up to now is 127.2 secs Computing kpt #: 142 total cpu time spent up to now is 127.9 secs Computing kpt #: 143 total cpu time spent up to now is 128.6 secs Computing kpt #: 144 total cpu time spent up to now is 129.3 secs Computing kpt #: 145 total cpu time spent up to now is 129.9 secs Computing kpt #: 146 total cpu time spent up to now is 130.6 secs Computing kpt #: 147 total cpu time spent up to now is 131.3 secs Computing kpt #: 148 total cpu time spent up to now is 132.0 secs Computing kpt #: 149 total cpu time spent up to now is 132.7 secs Computing kpt #: 150 total cpu time spent up to now is 133.4 secs Computing kpt #: 151 total cpu time spent up to now is 134.1 secs Computing kpt #: 152 total cpu time spent up to now is 134.8 secs Computing kpt #: 153 total cpu time spent up to now is 135.5 secs Computing kpt #: 154 total cpu time spent up to now is 136.3 secs Computing kpt #: 155 total cpu time spent up to now is 137.0 secs Computing kpt #: 156 total cpu time spent up to now is 137.8 secs Computing kpt #: 157 total cpu time spent up to now is 138.5 secs Computing kpt #: 158 total cpu time spent up to now is 139.2 secs Computing kpt #: 159 total cpu time spent up to now is 140.0 secs Computing kpt #: 160 total cpu time spent up to now is 140.7 secs Computing kpt #: 161 total cpu time spent up to now is 141.4 secs Computing kpt #: 162 total cpu time spent up to now is 142.2 secs Computing kpt #: 163 total cpu time spent up to now is 142.9 secs Computing kpt #: 164 total cpu time spent up to now is 143.6 secs Computing kpt #: 165 total cpu time spent up to now is 144.4 secs Computing kpt #: 166 total cpu time spent up to now is 145.1 secs Computing kpt #: 167 total cpu time spent up to now is 145.8 secs Computing kpt #: 168 total cpu time spent up to now is 146.6 secs Computing kpt #: 169 total cpu time spent up to now is 147.3 secs Computing kpt #: 170 total cpu time spent up to now is 148.0 secs Computing kpt #: 171 total cpu time spent up to now is 148.7 secs Computing kpt #: 172 total cpu time spent up to now is 149.4 secs Computing kpt #: 173 total cpu time spent up to now is 150.2 secs Computing kpt #: 174 total cpu time spent up to now is 150.9 secs Computing kpt #: 175 total cpu time spent up to now is 151.6 secs Computing kpt #: 176 total cpu time spent up to now is 152.3 secs Computing kpt #: 177 total cpu time spent up to now is 153.0 secs Computing kpt #: 178 total cpu time spent up to now is 153.7 secs Computing kpt #: 179 total cpu time spent up to now is 154.4 secs Computing kpt #: 180 total cpu time spent up to now is 155.1 secs Computing kpt #: 181 total cpu time spent up to now is 155.8 secs Computing kpt #: 182 total cpu time spent up to now is 156.5 secs Computing kpt #: 183 total cpu time spent up to now is 157.3 secs Computing kpt #: 184 total cpu time spent up to now is 158.0 secs Computing kpt #: 185 total cpu time spent up to now is 158.7 secs Computing kpt #: 186 total cpu time spent up to now is 159.4 secs Computing kpt #: 187 total cpu time spent up to now is 160.2 secs Computing kpt #: 188 total cpu time spent up to now is 161.0 secs Computing kpt #: 189 total cpu time spent up to now is 161.7 secs Computing kpt #: 190 total cpu time spent up to now is 162.5 secs Computing kpt #: 191 total cpu time spent up to now is 163.2 secs Computing kpt #: 192 total cpu time spent up to now is 164.0 secs Computing kpt #: 193 total cpu time spent up to now is 164.8 secs Computing kpt #: 194 total cpu time spent up to now is 165.5 secs Computing kpt #: 195 total cpu time spent up to now is 166.3 secs Computing kpt #: 196 total cpu time spent up to now is 167.1 secs Computing kpt #: 197 total cpu time spent up to now is 167.9 secs Computing kpt #: 198 total cpu time spent up to now is 168.7 secs Computing kpt #: 199 total cpu time spent up to now is 169.5 secs Computing kpt #: 200 total cpu time spent up to now is 170.2 secs Computing kpt #: 201 total cpu time spent up to now is 171.0 secs Computing kpt #: 202 total cpu time spent up to now is 171.8 secs Computing kpt #: 203 total cpu time spent up to now is 172.6 secs Computing kpt #: 204 total cpu time spent up to now is 173.4 secs Computing kpt #: 205 total cpu time spent up to now is 174.2 secs Computing kpt #: 206 total cpu time spent up to now is 175.0 secs Computing kpt #: 207 total cpu time spent up to now is 175.8 secs Computing kpt #: 208 total cpu time spent up to now is 176.6 secs Computing kpt #: 209 total cpu time spent up to now is 177.4 secs Computing kpt #: 210 total cpu time spent up to now is 178.1 secs Computing kpt #: 211 total cpu time spent up to now is 178.9 secs Computing kpt #: 212 total cpu time spent up to now is 179.7 secs Computing kpt #: 213 total cpu time spent up to now is 180.5 secs Computing kpt #: 214 total cpu time spent up to now is 181.3 secs Computing kpt #: 215 total cpu time spent up to now is 182.1 secs Computing kpt #: 216 total cpu time spent up to now is 182.9 secs Computing kpt #: 217 total cpu time spent up to now is 183.7 secs Computing kpt #: 218 total cpu time spent up to now is 184.5 secs Computing kpt #: 219 total cpu time spent up to now is 185.2 secs Computing kpt #: 220 total cpu time spent up to now is 186.0 secs Computing kpt #: 221 total cpu time spent up to now is 186.8 secs Computing kpt #: 222 total cpu time spent up to now is 187.5 secs Computing kpt #: 223 total cpu time spent up to now is 188.3 secs Computing kpt #: 224 total cpu time spent up to now is 189.1 secs Computing kpt #: 225 total cpu time spent up to now is 189.9 secs Computing kpt #: 226 total cpu time spent up to now is 190.7 secs Computing kpt #: 227 total cpu time spent up to now is 191.5 secs Computing kpt #: 228 total cpu time spent up to now is 192.3 secs Computing kpt #: 229 total cpu time spent up to now is 193.1 secs Computing kpt #: 230 total cpu time spent up to now is 193.9 secs Computing kpt #: 231 total cpu time spent up to now is 194.7 secs Computing kpt #: 232 total cpu time spent up to now is 195.5 secs Computing kpt #: 233 total cpu time spent up to now is 196.3 secs Computing kpt #: 234 total cpu time spent up to now is 197.0 secs Computing kpt #: 235 total cpu time spent up to now is 197.9 secs Computing kpt #: 236 total cpu time spent up to now is 198.8 secs Computing kpt #: 237 total cpu time spent up to now is 199.6 secs Computing kpt #: 238 total cpu time spent up to now is 200.5 secs Computing kpt #: 239 total cpu time spent up to now is 201.3 secs Computing kpt #: 240 total cpu time spent up to now is 202.1 secs Computing kpt #: 241 total cpu time spent up to now is 202.9 secs Computing kpt #: 242 total cpu time spent up to now is 203.7 secs Computing kpt #: 243 total cpu time spent up to now is 204.5 secs Computing kpt #: 244 total cpu time spent up to now is 205.3 secs Computing kpt #: 245 total cpu time spent up to now is 206.1 secs Computing kpt #: 246 total cpu time spent up to now is 206.9 secs Computing kpt #: 247 total cpu time spent up to now is 207.7 secs Computing kpt #: 248 total cpu time spent up to now is 208.5 secs Computing kpt #: 249 total cpu time spent up to now is 209.4 secs Computing kpt #: 250 total cpu time spent up to now is 210.2 secs Computing kpt #: 251 total cpu time spent up to now is 211.0 secs Computing kpt #: 252 total cpu time spent up to now is 211.8 secs Computing kpt #: 253 total cpu time spent up to now is 212.6 secs Computing kpt #: 254 total cpu time spent up to now is 213.4 secs Computing kpt #: 255 total cpu time spent up to now is 214.2 secs Computing kpt #: 256 total cpu time spent up to now is 215.0 secs Computing kpt #: 257 total cpu time spent up to now is 215.9 secs Computing kpt #: 258 total cpu time spent up to now is 216.7 secs Computing kpt #: 259 total cpu time spent up to now is 217.5 secs Computing kpt #: 260 total cpu time spent up to now is 218.3 secs Computing kpt #: 261 total cpu time spent up to now is 219.1 secs Computing kpt #: 262 total cpu time spent up to now is 219.9 secs Computing kpt #: 263 total cpu time spent up to now is 220.6 secs Computing kpt #: 264 total cpu time spent up to now is 221.4 secs Computing kpt #: 265 total cpu time spent up to now is 222.2 secs Computing kpt #: 266 total cpu time spent up to now is 223.0 secs Computing kpt #: 267 total cpu time spent up to now is 223.7 secs Computing kpt #: 268 total cpu time spent up to now is 224.5 secs Computing kpt #: 269 total cpu time spent up to now is 225.2 secs Computing kpt #: 270 total cpu time spent up to now is 226.0 secs Computing kpt #: 271 total cpu time spent up to now is 226.7 secs Computing kpt #: 272 total cpu time spent up to now is 227.5 secs Computing kpt #: 273 total cpu time spent up to now is 228.2 secs Computing kpt #: 274 total cpu time spent up to now is 229.0 secs Computing kpt #: 275 total cpu time spent up to now is 229.7 secs Computing kpt #: 276 total cpu time spent up to now is 230.4 secs Computing kpt #: 277 total cpu time spent up to now is 231.2 secs Computing kpt #: 278 total cpu time spent up to now is 231.9 secs Computing kpt #: 279 total cpu time spent up to now is 232.7 secs Computing kpt #: 280 total cpu time spent up to now is 233.4 secs Computing kpt #: 281 total cpu time spent up to now is 234.1 secs Computing kpt #: 282 total cpu time spent up to now is 234.8 secs Computing kpt #: 283 total cpu time spent up to now is 235.6 secs Computing kpt #: 284 total cpu time spent up to now is 236.3 secs Computing kpt #: 285 total cpu time spent up to now is 237.1 secs Computing kpt #: 286 total cpu time spent up to now is 237.8 secs Computing kpt #: 287 total cpu time spent up to now is 238.5 secs Computing kpt #: 288 total cpu time spent up to now is 239.2 secs Computing kpt #: 289 total cpu time spent up to now is 239.9 secs Computing kpt #: 290 total cpu time spent up to now is 240.7 secs Computing kpt #: 291 total cpu time spent up to now is 241.4 secs Computing kpt #: 292 total cpu time spent up to now is 242.1 secs Computing kpt #: 293 total cpu time spent up to now is 242.9 secs Computing kpt #: 294 total cpu time spent up to now is 243.7 secs Computing kpt #: 295 total cpu time spent up to now is 244.8 secs Computing kpt #: 296 total cpu time spent up to now is 245.7 secs Computing kpt #: 297 total cpu time spent up to now is 246.6 secs Computing kpt #: 298 total cpu time spent up to now is 247.4 secs Computing kpt #: 299 total cpu time spent up to now is 248.2 secs Computing kpt #: 300 total cpu time spent up to now is 249.0 secs Computing kpt #: 301 total cpu time spent up to now is 249.8 secs Computing kpt #: 302 total cpu time spent up to now is 250.6 secs Computing kpt #: 303 total cpu time spent up to now is 251.4 secs Computing kpt #: 304 total cpu time spent up to now is 252.2 secs Computing kpt #: 305 total cpu time spent up to now is 253.2 secs Computing kpt #: 306 total cpu time spent up to now is 254.0 secs Computing kpt #: 307 total cpu time spent up to now is 255.1 secs Computing kpt #: 308 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 256.7 secs Computing kpt #: 309 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 258.3 secs Computing kpt #: 310 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 259.8 secs Computing kpt #: 311 total cpu time spent up to now is 260.9 secs Computing kpt #: 312 total cpu time spent up to now is 261.7 secs Computing kpt #: 313 total cpu time spent up to now is 262.7 secs Computing kpt #: 314 total cpu time spent up to now is 263.6 secs Computing kpt #: 315 total cpu time spent up to now is 264.6 secs Computing kpt #: 316 total cpu time spent up to now is 265.5 secs Computing kpt #: 317 total cpu time spent up to now is 266.4 secs Computing kpt #: 318 total cpu time spent up to now is 267.3 secs Computing kpt #: 319 total cpu time spent up to now is 268.1 secs Computing kpt #: 320 total cpu time spent up to now is 268.9 secs Computing kpt #: 321 total cpu time spent up to now is 269.7 secs Computing kpt #: 322 total cpu time spent up to now is 270.5 secs Computing kpt #: 323 total cpu time spent up to now is 271.4 secs Computing kpt #: 324 total cpu time spent up to now is 272.2 secs Computing kpt #: 325 total cpu time spent up to now is 273.4 secs Computing kpt #: 326 total cpu time spent up to now is 274.3 secs Computing kpt #: 327 total cpu time spent up to now is 275.7 secs Computing kpt #: 328 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 277.2 secs Computing kpt #: 329 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 278.8 secs Computing kpt #: 330 total cpu time spent up to now is 279.6 secs Computing kpt #: 331 total cpu time spent up to now is 280.5 secs Computing kpt #: 332 total cpu time spent up to now is 281.6 secs Computing kpt #: 333 total cpu time spent up to now is 282.5 secs Computing kpt #: 334 total cpu time spent up to now is 283.3 secs Computing kpt #: 335 total cpu time spent up to now is 284.2 secs Computing kpt #: 336 total cpu time spent up to now is 285.0 secs Computing kpt #: 337 total cpu time spent up to now is 285.8 secs Computing kpt #: 338 total cpu time spent up to now is 286.6 secs Computing kpt #: 339 total cpu time spent up to now is 287.5 secs Computing kpt #: 340 total cpu time spent up to now is 288.3 secs Computing kpt #: 341 total cpu time spent up to now is 289.2 secs Computing kpt #: 342 total cpu time spent up to now is 290.1 secs Computing kpt #: 343 total cpu time spent up to now is 290.9 secs Computing kpt #: 344 total cpu time spent up to now is 291.7 secs ethr = 2.78E-08, avg # of iterations = 38.8 total cpu time spent up to now is 291.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6665 PWs) bands (ev): -44.7037 -44.7037 -44.7001 -44.7001 -21.4641 -21.4641 -21.4440 -21.4440 -20.8453 -20.8453 -20.8115 -20.8115 -20.7711 -20.7711 -20.7703 -20.7703 -1.8487 -1.8487 0.4737 0.4737 4.7629 4.7629 8.7335 8.7335 9.1830 9.1830 10.2511 10.2511 10.7298 10.7298 11.6422 11.6422 12.0413 12.0413 12.0603 12.0603 12.1687 12.1687 12.1711 12.1711 12.9843 12.9843 13.3715 13.3715 k = 0.0106 0.0061-0.0000 ( 6678 PWs) bands (ev): -44.7037 -44.7037 -44.7001 -44.7001 -21.4642 -21.4642 -21.4440 -21.4440 -20.8453 -20.8453 -20.8115 -20.8115 -20.7711 -20.7711 -20.7703 -20.7703 -1.8476 -1.8476 0.4743 0.4743 4.7641 4.7641 8.7307 8.7307 9.1800 9.1800 10.2467 10.2467 10.7248 10.7248 11.6447 11.6447 12.0400 12.0400 12.0595 12.0595 12.1671 12.1671 12.1736 12.1736 12.9910 12.9910 13.3729 13.3729 k = 0.0213 0.0123-0.0000 ( 6672 PWs) bands (ev): -44.7036 -44.7036 -44.7001 -44.7001 -21.4642 -21.4642 -21.4441 -21.4441 -20.8453 -20.8453 -20.8116 -20.8116 -20.7712 -20.7712 -20.7704 -20.7704 -1.8443 -1.8443 0.4760 0.4760 4.7675 4.7675 8.7223 8.7223 9.1716 9.1716 10.2339 10.2339 10.7100 10.7100 11.6521 11.6521 12.0339 12.0339 12.0594 12.0594 12.1601 12.1601 12.1834 12.1834 13.0106 13.0106 13.3771 13.3771 k = 0.0319 0.0184-0.0000 ( 6666 PWs) bands (ev): -44.7036 -44.7036 -44.7001 -44.7001 -21.4642 -21.4642 -21.4442 -21.4442 -20.8453 -20.8453 -20.8116 -20.8116 -20.7714 -20.7714 -20.7706 -20.7706 -1.8389 -1.8389 0.4790 0.4790 4.7732 4.7732 8.7077 8.7077 9.1584 9.1584 10.2127 10.2127 10.6859 10.6859 11.6642 11.6642 12.0204 12.0204 12.0628 12.0628 12.1490 12.1490 12.1995 12.1995 13.0421 13.0421 13.3838 13.3838 k = 0.0426 0.0246-0.0000 ( 6666 PWs) bands (ev): -44.7036 -44.7036 -44.7001 -44.7001 -21.4643 -21.4643 -21.4443 -21.4443 -20.8453 -20.8453 -20.8117 -20.8117 -20.7716 -20.7716 -20.7707 -20.7707 -1.8312 -1.8312 0.4831 0.4831 4.7811 4.7811 8.6860 8.6860 9.1420 9.1420 10.1835 10.1835 10.6530 10.6530 11.6805 11.6805 12.0002 12.0002 12.0694 12.0694 12.1351 12.1351 12.2213 12.2213 13.0842 13.0842 13.3928 13.3928 k = 0.0532 0.0307-0.0000 ( 6666 PWs) bands (ev): -44.7036 -44.7036 -44.7000 -44.7000 -21.4643 -21.4643 -21.4444 -21.4444 -20.8453 -20.8453 -20.8118 -20.8118 -20.7719 -20.7719 -20.7710 -20.7710 -1.8214 -1.8214 0.4884 0.4884 4.7913 4.7913 8.6563 8.6563 9.1238 9.1238 10.1467 10.1467 10.6125 10.6125 11.7006 11.7006 11.9744 11.9744 12.0787 12.0787 12.1192 12.1192 12.2480 12.2480 13.1352 13.1352 13.4035 13.4035 k = 0.0638 0.0369-0.0000 ( 6662 PWs) bands (ev): -44.7035 -44.7035 -44.7000 -44.7000 -21.4644 -21.4644 -21.4446 -21.4446 -20.8453 -20.8453 -20.8120 -20.8120 -20.7722 -20.7722 -20.7713 -20.7713 -1.8095 -1.8095 0.4948 0.4948 4.8036 4.8036 8.6176 8.6176 9.1057 9.1057 10.1028 10.1028 10.5651 10.5651 11.7236 11.7236 11.9441 11.9441 12.0901 12.0901 12.1024 12.1024 12.2789 12.2789 13.1936 13.1936 13.4156 13.4156 k = 0.0745 0.0430-0.0000 ( 6660 PWs) bands (ev): -44.7035 -44.7035 -44.7000 -44.7000 -21.4645 -21.4645 -21.4448 -21.4448 -20.8452 -20.8452 -20.8121 -20.8121 -20.7726 -20.7726 -20.7717 -20.7717 -1.7954 -1.7954 0.5023 0.5023 4.8181 4.8181 8.5695 8.5695 9.0889 9.0889 10.0521 10.0521 10.5120 10.5120 11.7485 11.7485 11.9107 11.9107 12.0848 12.0848 12.1043 12.1043 12.3132 12.3132 13.2582 13.2582 13.4285 13.4285 k = 0.0851 0.0491-0.0000 ( 6664 PWs) bands (ev): -44.7034 -44.7034 -44.6999 -44.6999 -21.4646 -21.4646 -21.4450 -21.4450 -20.8452 -20.8452 -20.8123 -20.8123 -20.7730 -20.7730 -20.7721 -20.7721 -1.7793 -1.7793 0.5110 0.5110 4.8348 4.8348 8.5118 8.5118 9.0743 9.0743 9.9951 9.9951 10.4543 10.4543 11.7722 11.7722 11.8772 11.8772 12.0677 12.0677 12.1201 12.1201 12.3501 12.3501 13.3275 13.3275 13.4420 13.4420 k = 0.0957 0.0553-0.0000 ( 6648 PWs) bands (ev): -44.7034 -44.7034 -44.6999 -44.6999 -21.4647 -21.4647 -21.4453 -21.4453 -20.8452 -20.8452 -20.8125 -20.8125 -20.7735 -20.7735 -20.7725 -20.7725 -1.7611 -1.7611 0.5208 0.5208 4.8535 4.8535 8.4451 8.4451 9.0624 9.0624 9.9322 9.9322 10.3930 10.3930 11.7823 11.7823 11.8560 11.8560 12.0510 12.0510 12.1381 12.1381 12.3890 12.3890 13.3997 13.3997 13.4562 13.4562 k = 0.1064 0.0614-0.0000 ( 6652 PWs) bands (ev): -44.7033 -44.7033 -44.6999 -44.6999 -21.4648 -21.4648 -21.4456 -21.4456 -20.8452 -20.8452 -20.8128 -20.8128 -20.7740 -20.7740 -20.7730 -20.7730 -1.7409 -1.7409 0.5316 0.5316 4.8742 4.8742 8.3701 8.3701 9.0532 9.0532 9.8639 9.8639 10.3292 10.3292 11.7589 11.7589 11.8670 11.8670 12.0352 12.0352 12.1581 12.1581 12.4292 12.4292 13.4581 13.4581 13.4867 13.4867 k = 0.1170 0.0676-0.0000 ( 6644 PWs) bands (ev): -44.7032 -44.7032 -44.6998 -44.6998 -21.4649 -21.4649 -21.4459 -21.4459 -20.8452 -20.8452 -20.8130 -20.8130 -20.7746 -20.7746 -20.7735 -20.7735 -1.7188 -1.7188 0.5435 0.5435 4.8968 4.8968 8.2878 8.2878 9.0463 9.0463 9.7905 9.7905 10.2636 10.2636 11.7175 11.7175 11.8944 11.8944 12.0207 12.0207 12.1801 12.1801 12.4700 12.4700 13.4741 13.4741 13.5606 13.5606 k = 0.1277 0.0737-0.0000 ( 6640 PWs) bands (ev): -44.7032 -44.7032 -44.6998 -44.6998 -21.4651 -21.4651 -21.4463 -21.4463 -20.8451 -20.8451 -20.8133 -20.8133 -20.7752 -20.7752 -20.7741 -20.7741 -1.6947 -1.6947 0.5564 0.5564 4.9213 4.9213 8.1993 8.1993 9.0415 9.0415 9.7125 9.7125 10.1970 10.1970 11.6705 11.6705 11.9245 11.9245 12.0094 12.0094 12.2041 12.2041 12.5112 12.5112 13.4839 13.4839 13.6405 13.6405 k = 0.1383 0.0798-0.0000 ( 6644 PWs) bands (ev): -44.7031 -44.7031 -44.6997 -44.6997 -21.4652 -21.4652 -21.4466 -21.4466 -20.8451 -20.8451 -20.8136 -20.8136 -20.7759 -20.7759 -20.7747 -20.7747 -1.6689 -1.6689 0.5703 0.5703 4.9476 4.9476 8.1056 8.1056 9.0384 9.0384 9.6303 9.6303 10.1301 10.1301 11.6208 11.6208 11.9477 11.9477 12.0076 12.0076 12.2300 12.2300 12.5521 12.5521 13.4910 13.4910 13.7217 13.7217 k = 0.1489 0.0860-0.0000 ( 6646 PWs) bands (ev): -44.7030 -44.7030 -44.6996 -44.6996 -21.4654 -21.4654 -21.4470 -21.4470 -20.8451 -20.8451 -20.8140 -20.8140 -20.7766 -20.7766 -20.7753 -20.7753 -1.6412 -1.6412 0.5851 0.5851 4.9755 4.9755 8.0075 8.0075 9.0367 9.0367 9.5444 9.5444 10.0635 10.0635 11.5696 11.5696 11.9520 11.9520 12.0268 12.0268 12.2577 12.2577 12.5925 12.5925 13.4953 13.4953 13.8026 13.8026 k = 0.1596 0.0921-0.0000 ( 6654 PWs) bands (ev): -44.7029 -44.7029 -44.6996 -44.6996 -21.4655 -21.4655 -21.4475 -21.4475 -20.8450 -20.8450 -20.8144 -20.8144 -20.7773 -20.7773 -20.7759 -20.7759 -1.6118 -1.6118 0.6009 0.6009 5.0050 5.0050 7.9060 7.9060 9.0362 9.0362 9.4553 9.4553 9.9975 9.9975 11.5176 11.5176 11.9437 11.9437 12.0599 12.0599 12.2873 12.2873 12.6320 12.6320 13.4965 13.4965 13.8819 13.8819 k = 0.1702 0.0983-0.0000 ( 6654 PWs) bands (ev): -44.7028 -44.7028 -44.6995 -44.6995 -21.4657 -21.4657 -21.4479 -21.4479 -20.8450 -20.8450 -20.8148 -20.8148 -20.7781 -20.7781 -20.7765 -20.7765 -1.5808 -1.5808 0.6175 0.6175 5.0360 5.0360 7.8017 7.8017 9.0365 9.0365 9.3635 9.3635 9.9324 9.9324 11.4650 11.4650 11.9321 11.9321 12.0978 12.0978 12.3185 12.3185 12.6704 12.6704 13.4943 13.4943 13.9577 13.9577 k = 0.1809 0.1044-0.0000 ( 6652 PWs) bands (ev): -44.7027 -44.7027 -44.6994 -44.6994 -21.4659 -21.4659 -21.4484 -21.4484 -20.8449 -20.8449 -20.8152 -20.8152 -20.7789 -20.7789 -20.7772 -20.7772 -1.5482 -1.5482 0.6349 0.6349 5.0684 5.0684 7.6953 7.6953 9.0375 9.0375 9.2697 9.2697 9.8684 9.8684 11.4123 11.4123 11.9196 11.9196 12.1376 12.1376 12.3514 12.3514 12.7074 12.7074 13.4884 13.4884 14.0272 14.0272 k = 0.1915 0.1106-0.0000 ( 6652 PWs) bands (ev): -44.7026 -44.7026 -44.6994 -44.6994 -21.4661 -21.4661 -21.4488 -21.4488 -20.8449 -20.8449 -20.8157 -20.8157 -20.7798 -20.7798 -20.7779 -20.7779 -1.5142 -1.5142 0.6532 0.6532 5.1020 5.1020 7.5873 7.5873 9.0385 9.0385 9.1748 9.1748 9.8058 9.8058 11.3597 11.3597 11.9069 11.9069 12.1786 12.1786 12.3859 12.3859 12.7430 12.7430 13.4785 13.4785 14.0864 14.0864 k = 0.2021 0.1167-0.0000 ( 6656 PWs) bands (ev): -44.7025 -44.7025 -44.6993 -44.6993 -21.4662 -21.4662 -21.4493 -21.4493 -20.8448 -20.8448 -20.8161 -20.8161 -20.7806 -20.7806 -20.7785 -20.7785 -1.4788 -1.4788 0.6721 0.6721 5.1366 5.1366 7.4783 7.4783 9.0353 9.0353 9.0833 9.0833 9.7447 9.7447 11.3075 11.3075 11.8943 11.8943 12.2205 12.2205 12.4218 12.4218 12.7770 12.7770 13.4645 13.4645 14.1309 14.1309 k = 0.2128 0.1228-0.0000 ( 6660 PWs) bands (ev): -44.7024 -44.7024 -44.6992 -44.6992 -21.4664 -21.4664 -21.4498 -21.4498 -20.8448 -20.8448 -20.8166 -20.8166 -20.7815 -20.7815 -20.7792 -20.7792 -1.4422 -1.4422 0.6916 0.6916 5.1722 5.1722 7.3688 7.3688 8.9729 8.9729 9.0507 9.0507 9.6851 9.6851 11.2559 11.2559 11.8820 11.8820 12.2630 12.2630 12.4592 12.4592 12.8094 12.8094 13.4465 13.4465 14.1573 14.1573 k = 0.2234 0.1290-0.0000 ( 6652 PWs) bands (ev): -44.7023 -44.7023 -44.6992 -44.6992 -21.4666 -21.4666 -21.4504 -21.4504 -20.8447 -20.8447 -20.8172 -20.8172 -20.7824 -20.7824 -20.7799 -20.7799 -1.4044 -1.4044 0.7118 0.7118 5.2086 5.2086 7.2592 7.2592 8.8773 8.8773 9.0515 9.0515 9.6272 9.6272 11.2051 11.2051 11.8700 11.8700 12.3060 12.3060 12.4979 12.4979 12.8400 12.8400 13.4247 13.4247 14.1658 14.1658 k = 0.2340 0.1351-0.0000 ( 6652 PWs) bands (ev): -44.7021 -44.7021 -44.6991 -44.6991 -21.4668 -21.4668 -21.4509 -21.4509 -20.8446 -20.8446 -20.8177 -20.8177 -20.7833 -20.7833 -20.7805 -20.7805 -1.3656 -1.3656 0.7325 0.7325 5.2456 5.2456 7.1500 7.1500 8.7800 8.7800 9.0544 9.0544 9.5710 9.5710 11.1553 11.1553 11.8584 11.8584 12.3495 12.3495 12.5378 12.5378 12.8688 12.8688 13.3997 13.3997 14.1600 14.1600 k = 0.2447 0.1413-0.0000 ( 6650 PWs) bands (ev): -44.7020 -44.7020 -44.6990 -44.6990 -21.4670 -21.4670 -21.4515 -21.4515 -20.8445 -20.8445 -20.8183 -20.8183 -20.7842 -20.7842 -20.7812 -20.7812 -1.3259 -1.3259 0.7536 0.7536 5.2830 5.2830 7.0416 7.0416 8.6829 8.6829 9.0579 9.0579 9.5166 9.5166 11.1067 11.1067 11.8472 11.8472 12.3934 12.3934 12.5788 12.5788 12.8959 12.8959 13.3721 13.3721 14.1447 14.1447 k = 0.2553 0.1474-0.0000 ( 6654 PWs) bands (ev): -44.7019 -44.7019 -44.6990 -44.6990 -21.4672 -21.4672 -21.4520 -21.4520 -20.8444 -20.8444 -20.8189 -20.8189 -20.7851 -20.7851 -20.7818 -20.7818 -1.2855 -1.2855 0.7750 0.7750 5.3206 5.3206 6.9343 6.9343 8.5866 8.5866 9.0617 9.0617 9.4640 9.4640 11.0593 11.0593 11.8364 11.8364 12.4376 12.4376 12.6208 12.6208 12.9212 12.9212 13.3427 13.3427 14.1244 14.1244 k = 0.2660 0.1536-0.0000 ( 6652 PWs) bands (ev): -44.7018 -44.7018 -44.6989 -44.6989 -21.4673 -21.4673 -21.4526 -21.4526 -20.8443 -20.8443 -20.8196 -20.8196 -20.7860 -20.7860 -20.7824 -20.7824 -1.2445 -1.2445 0.7968 0.7968 5.3582 5.3582 6.8286 6.8286 8.4916 8.4916 9.0656 9.0656 9.4134 9.4134 11.0133 11.0133 11.8262 11.8262 12.4819 12.4819 12.6636 12.6636 12.9448 12.9448 13.3125 13.3125 14.1023 14.1023 k = 0.2766 0.1597-0.0000 ( 6652 PWs) bands (ev): -44.7017 -44.7017 -44.6988 -44.6988 -21.4675 -21.4675 -21.4531 -21.4531 -20.8442 -20.8442 -20.8202 -20.8202 -20.7869 -20.7869 -20.7830 -20.7830 -1.2030 -1.2030 0.8187 0.8187 5.3955 5.3955 6.7248 6.7248 8.3982 8.3982 9.0696 9.0696 9.3646 9.3646 10.9689 10.9689 11.8164 11.8164 12.5264 12.5264 12.7071 12.7071 12.9668 12.9668 13.2823 13.2823 14.0794 14.0794 k = 0.2872 0.1658-0.0000 ( 6652 PWs) bands (ev): -44.7015 -44.7015 -44.6988 -44.6988 -21.4677 -21.4677 -21.4537 -21.4537 -20.8440 -20.8440 -20.8209 -20.8209 -20.7878 -20.7878 -20.7836 -20.7836 -1.1613 -1.1613 0.8407 0.8407 5.4323 5.4323 6.6235 6.6235 8.3069 8.3069 9.0737 9.0737 9.3179 9.3179 10.9260 10.9260 11.8072 11.8072 12.5710 12.5710 12.7511 12.7511 12.9871 12.9871 13.2531 13.2531 14.0530 14.0530 k = 0.2979 0.1720-0.0000 ( 6656 PWs) bands (ev): -44.7014 -44.7014 -44.6987 -44.6987 -21.4678 -21.4678 -21.4543 -21.4543 -20.8439 -20.8439 -20.8215 -20.8215 -20.7886 -20.7886 -20.7842 -20.7842 -1.1195 -1.1195 0.8627 0.8627 5.4681 5.4681 6.5250 6.5250 8.2179 8.2179 9.0777 9.0777 9.2732 9.2732 10.8849 10.8849 11.7985 11.7985 12.6154 12.6154 12.7955 12.7955 13.0058 13.0058 13.2257 13.2257 14.0174 14.0174 k = 0.3085 0.1781-0.0000 ( 6662 PWs) bands (ev): -44.7013 -44.7013 -44.6987 -44.6987 -21.4680 -21.4680 -21.4548 -21.4548 -20.8437 -20.8437 -20.8222 -20.8222 -20.7895 -20.7895 -20.7847 -20.7847 -1.0778 -1.0778 0.8846 0.8846 5.5027 5.5027 6.4299 6.4299 8.1315 8.1315 9.0817 9.0817 9.2306 9.2306 10.8456 10.8456 11.7903 11.7903 12.6597 12.6597 12.8401 12.8401 13.0231 13.0231 13.2008 13.2008 13.9773 13.9774 k = 0.3191 0.1843-0.0000 ( 6658 PWs) bands (ev): -44.7012 -44.7012 -44.6986 -44.6986 -21.4681 -21.4681 -21.4554 -21.4554 -20.8436 -20.8436 -20.8229 -20.8229 -20.7903 -20.7903 -20.7852 -20.7852 -1.0365 -1.0365 0.9063 0.9063 5.5354 5.5354 6.3388 6.3388 8.0480 8.0480 9.0857 9.0857 9.1901 9.1901 10.8081 10.8081 11.7828 11.7828 12.7035 12.7035 12.8847 12.8847 13.0389 13.0389 13.1793 13.1793 13.9372 13.9373 k = 0.3298 0.1904-0.0000 ( 6658 PWs) bands (ev): -44.7011 -44.7011 -44.6985 -44.6985 -21.4682 -21.4682 -21.4559 -21.4559 -20.8434 -20.8434 -20.8236 -20.8236 -20.7911 -20.7911 -20.7857 -20.7857 -0.9957 -0.9957 0.9276 0.9276 5.5656 5.5656 6.2525 6.2525 7.9678 7.9678 9.0894 9.0894 9.1518 9.1518 10.7725 10.7725 11.7758 11.7758 12.7467 12.7467 12.9290 12.9290 13.0534 13.0534 13.1617 13.1617 13.8985 13.8985 k = 0.3404 0.1965-0.0000 ( 6652 PWs) bands (ev): -44.7010 -44.7010 -44.6985 -44.6985 -21.4684 -21.4684 -21.4564 -21.4564 -20.8432 -20.8432 -20.8243 -20.8243 -20.7918 -20.7918 -20.7861 -20.7861 -0.9556 -0.9556 0.9485 0.9485 5.5924 5.5924 6.1722 6.1722 7.8910 7.8910 9.0924 9.0924 9.1163 9.1163 10.7389 10.7389 11.7693 11.7693 12.7891 12.7891 12.9729 12.9729 13.0666 13.0666 13.1487 13.1487 13.8615 13.8615 k = 0.3511 0.2027-0.0000 ( 6660 PWs) bands (ev): -44.7009 -44.7009 -44.6984 -44.6984 -21.4685 -21.4685 -21.4569 -21.4569 -20.8430 -20.8430 -20.8250 -20.8250 -20.7926 -20.7926 -20.7866 -20.7866 -0.9165 -0.9165 0.9688 0.9688 5.6141 5.6141 6.0994 6.0994 7.8180 7.8180 9.0798 9.0798 9.0986 9.0986 10.7073 10.7073 11.7634 11.7634 12.8303 12.8303 13.0161 13.0161 13.0786 13.0786 13.1409 13.1409 13.8264 13.8264 k = 0.3617 0.2088-0.0000 ( 6652 PWs) bands (ev): -44.7008 -44.7008 -44.6984 -44.6984 -21.4686 -21.4686 -21.4574 -21.4574 -20.8428 -20.8428 -20.8257 -20.8257 -20.7932 -20.7932 -20.7870 -20.7870 -0.8787 -0.8787 0.9884 0.9884 5.6288 5.6288 6.0364 6.0364 7.7489 7.7489 9.0489 9.0489 9.1011 9.1011 10.6778 10.6778 11.7581 11.7581 12.8700 12.8700 13.0582 13.0582 13.0897 13.0897 13.1388 13.1388 13.7934 13.7934 k = 0.3723 0.2150-0.0000 ( 6654 PWs) bands (ev): -44.7007 -44.7007 -44.6984 -44.6984 -21.4687 -21.4687 -21.4579 -21.4579 -20.8426 -20.8426 -20.8264 -20.8264 -20.7939 -20.7939 -20.7873 -20.7873 -0.8423 -0.8423 1.0071 1.0071 5.6333 5.6333 5.9862 5.9862 7.6841 7.6841 9.0196 9.0196 9.1041 9.1041 10.6503 10.6503 11.7533 11.7533 12.9078 12.9078 13.0957 13.0957 13.1028 13.1028 13.1432 13.1432 13.7625 13.7625 k = 0.3830 0.2211-0.0000 ( 6652 PWs) bands (ev): -44.7006 -44.7006 -44.6983 -44.6983 -21.4687 -21.4687 -21.4584 -21.4584 -20.8423 -20.8423 -20.8271 -20.8271 -20.7945 -20.7945 -20.7877 -20.7877 -0.8076 -0.8076 1.0250 1.0250 5.6250 5.6250 5.9518 5.9518 7.6236 7.6236 8.9924 8.9924 9.1071 9.1071 10.6250 10.6250 11.7490 11.7490 12.9434 12.9434 13.1074 13.1074 13.1379 13.1379 13.1556 13.1556 13.7337 13.7337 k = 0.3936 0.2273-0.0000 ( 6644 PWs) bands (ev): -44.7005 -44.7005 -44.6983 -44.6983 -21.4688 -21.4688 -21.4588 -21.4588 -20.8421 -20.8421 -20.8278 -20.8278 -20.7950 -20.7950 -20.7880 -20.7880 -0.7748 -0.7748 1.0417 1.0417 5.6037 5.6037 5.9334 5.9334 7.5678 7.5678 8.9675 8.9675 9.1099 9.1099 10.6017 10.6017 11.7452 11.7452 12.9766 12.9766 13.1154 13.1154 13.1663 13.1663 13.1823 13.1823 13.7069 13.7069 k = 0.4043 0.2334-0.0000 ( 6640 PWs) bands (ev): -44.7004 -44.7004 -44.6983 -44.6983 -21.4688 -21.4688 -21.4592 -21.4592 -20.8419 -20.8419 -20.8284 -20.8284 -20.7955 -20.7955 -20.7883 -20.7883 -0.7443 -0.7443 1.0573 1.0573 5.5727 5.5727 5.9279 5.9279 7.5167 7.5167 8.9449 8.9449 9.1125 9.1125 10.5807 10.5807 11.7418 11.7418 13.0076 13.0076 13.1224 13.1224 13.1912 13.1912 13.2171 13.2171 13.6821 13.6821 k = 0.4149 0.2395-0.0000 ( 6648 PWs) bands (ev): -44.7003 -44.7003 -44.6982 -44.6982 -21.4689 -21.4689 -21.4596 -21.4596 -20.8416 -20.8416 -20.8290 -20.8290 -20.7960 -20.7960 -20.7885 -20.7885 -0.7162 -0.7162 1.0716 1.0716 5.5368 5.5368 5.9307 5.9307 7.4706 7.4706 8.9247 8.9247 9.1148 9.1148 10.5618 10.5618 11.7389 11.7389 13.0369 13.0369 13.1285 13.1285 13.2205 13.2205 13.2510 13.2510 13.6592 13.6592 k = 0.4255 0.2457-0.0000 ( 6646 PWs) bands (ev): -44.7003 -44.7003 -44.6982 -44.6982 -21.4689 -21.4689 -21.4599 -21.4599 -20.8414 -20.8414 -20.8296 -20.8296 -20.7964 -20.7964 -20.7887 -20.7887 -0.6908 -0.6908 1.0845 1.0845 5.5000 5.5000 5.9378 5.9378 7.4296 7.4296 8.9068 8.9068 9.1169 9.1169 10.5451 10.5451 11.7364 11.7364 13.0649 13.0649 13.1338 13.1338 13.2541 13.2541 13.2829 13.2829 13.6383 13.6383 k = 0.4362 0.2518-0.0000 ( 6634 PWs) bands (ev): -44.7002 -44.7002 -44.6982 -44.6982 -21.4689 -21.4689 -21.4602 -21.4602 -20.8412 -20.8412 -20.8301 -20.8301 -20.7968 -20.7968 -20.7889 -20.7889 -0.6683 -0.6683 1.0959 1.0959 5.4650 5.4650 5.9466 5.9466 7.3939 7.3939 8.8912 8.8912 9.1187 9.1187 10.5306 10.5306 11.7343 11.7343 13.0918 13.0918 13.1382 13.1382 13.2914 13.2914 13.3125 13.3125 13.6192 13.6192 k = 0.4468 0.2580-0.0000 ( 6634 PWs) bands (ev): -44.7002 -44.7002 -44.6982 -44.6982 -21.4690 -21.4690 -21.4605 -21.4605 -20.8409 -20.8409 -20.8306 -20.8306 -20.7971 -20.7971 -20.7891 -20.7891 -0.6489 -0.6489 1.1057 1.1057 5.4337 5.4337 5.9556 5.9556 7.3634 7.3634 8.8781 8.8781 9.1203 9.1203 10.5183 10.5183 11.7326 11.7326 13.1172 13.1172 13.1419 13.1419 13.3305 13.3305 13.3407 13.3407 13.6020 13.6020 k = 0.4574 0.2641-0.0000 ( 6624 PWs) bands (ev): -44.7001 -44.7001 -44.6982 -44.6982 -21.4690 -21.4690 -21.4607 -21.4607 -20.8407 -20.8407 -20.8310 -20.8310 -20.7973 -20.7973 -20.7892 -20.7892 -0.6327 -0.6327 1.1138 1.1138 5.4070 5.4070 5.9638 5.9638 7.3384 7.3384 8.8673 8.8673 9.1216 9.1216 10.5082 10.5082 11.7312 11.7312 13.1403 13.1403 13.1449 13.1449 13.3597 13.3597 13.3787 13.3787 13.5868 13.5868 k = 0.4681 0.2702-0.0000 ( 6628 PWs) bands (ev): -44.7001 -44.7001 -44.6982 -44.6982 -21.4690 -21.4690 -21.4609 -21.4609 -20.8406 -20.8406 -20.8313 -20.8313 -20.7975 -20.7975 -20.7893 -20.7893 -0.6200 -0.6200 1.1202 1.1202 5.3856 5.3856 5.9706 5.9706 7.3189 7.3189 8.8589 8.8589 9.1226 9.1226 10.5004 10.5004 11.7301 11.7301 13.1472 13.1472 13.1601 13.1601 13.3798 13.3798 13.4241 13.4241 13.5739 13.5739 k = 0.4787 0.2764-0.0000 ( 6632 PWs) bands (ev): -44.7001 -44.7001 -44.6982 -44.6982 -21.4690 -21.4690 -21.4610 -21.4610 -20.8404 -20.8404 -20.8315 -20.8315 -20.7976 -20.7976 -20.7894 -20.7894 -0.6108 -0.6108 1.1249 1.1249 5.3701 5.3701 5.9757 5.9757 7.3049 7.3049 8.8529 8.8529 9.1233 9.1233 10.4948 10.4948 11.7294 11.7294 13.1489 13.1489 13.1753 13.1753 13.3950 13.3950 13.4696 13.4696 13.5638 13.5638 k = 0.4894 0.2825-0.0000 ( 6628 PWs) bands (ev): -44.7000 -44.7000 -44.6981 -44.6981 -21.4690 -21.4690 -21.4611 -21.4611 -20.8403 -20.8403 -20.8317 -20.8317 -20.7977 -20.7977 -20.7895 -20.7895 -0.6052 -0.6052 1.1276 1.1276 5.3607 5.3607 5.9788 5.9788 7.2965 7.2965 8.8493 8.8493 9.1237 9.1237 10.4914 10.4914 11.7289 11.7289 13.1498 13.1498 13.1849 13.1849 13.4047 13.4047 13.5079 13.5079 13.5575 13.5575 k = 0.5000 0.2887-0.0000 ( 6636 PWs) bands (ev): -44.7000 -44.7000 -44.6981 -44.6981 -21.4690 -21.4690 -21.4611 -21.4611 -20.8403 -20.8403 -20.8317 -20.8317 -20.7977 -20.7977 -20.7895 -20.7895 -0.6034 -0.6034 1.1286 1.1286 5.3575 5.3575 5.9798 5.9798 7.2937 7.2937 8.8481 8.8481 9.1239 9.1239 10.4903 10.4903 11.7288 11.7288 13.1502 13.1502 13.1882 13.1882 13.4081 13.4081 13.5240 13.5240 13.5557 13.5557 k = 0.5000 0.2887-0.0000 ( 6636 PWs) bands (ev): -44.7000 -44.7000 -44.6981 -44.6981 -21.4690 -21.4690 -21.4611 -21.4611 -20.8403 -20.8403 -20.8317 -20.8317 -20.7977 -20.7977 -20.7895 -20.7895 -0.6034 -0.6034 1.1286 1.1286 5.3575 5.3575 5.9798 5.9798 7.2937 7.2937 8.8481 8.8481 9.1239 9.1239 10.4903 10.4903 11.7288 11.7288 13.1502 13.1502 13.1882 13.1882 13.4081 13.4081 13.5240 13.5240 13.5557 13.5557 k = 0.4940 0.2990-0.0000 ( 6636 PWs) bands (ev): -44.7000 -44.7000 -44.6981 -44.6981 -21.4690 -21.4690 -21.4611 -21.4611 -20.8403 -20.8403 -20.8317 -20.8317 -20.7978 -20.7978 -20.7895 -20.7895 -0.6030 -0.6030 1.1288 1.1288 5.3590 5.3590 5.9801 5.9801 7.2943 7.2943 8.8454 8.8454 9.1133 9.1133 10.4975 10.4975 11.7267 11.7267 13.1537 13.1537 13.1869 13.1869 13.4055 13.4055 13.5277 13.5277 13.5546 13.5546 k = 0.4881 0.3093-0.0000 ( 6632 PWs) bands (ev): -44.7000 -44.7000 -44.6981 -44.6981 -21.4690 -21.4690 -21.4611 -21.4611 -20.8403 -20.8403 -20.8317 -20.8317 -20.7978 -20.7978 -20.7895 -20.7895 -0.6016 -0.6016 1.1297 1.1297 5.3635 5.3635 5.9808 5.9808 7.2959 7.2959 8.8374 8.8374 9.0825 9.0825 10.5185 10.5185 11.7206 11.7206 13.1640 13.1640 13.1832 13.1832 13.3984 13.3984 13.5372 13.5372 13.5524 13.5524 k = 0.4821 0.3196-0.0000 ( 6634 PWs) bands (ev): -44.7000 -44.7000 -44.6982 -44.6982 -21.4690 -21.4690 -21.4611 -21.4611 -20.8402 -20.8402 -20.8317 -20.8317 -20.7979 -20.7979 -20.7896 -20.7896 -0.5994 -0.5994 1.1310 1.1310 5.3710 5.3710 5.9819 5.9819 7.2987 7.2987 8.8242 8.8242 9.0334 9.0334 10.5515 10.5515 11.7107 11.7107 13.1736 13.1736 13.1848 13.1848 13.3878 13.3878 13.5410 13.5410 13.5599 13.5599 k = 0.4762 0.3299-0.0000 ( 6638 PWs) bands (ev): -44.7000 -44.7000 -44.6982 -44.6982 -21.4690 -21.4690 -21.4612 -21.4612 -20.8402 -20.8402 -20.8317 -20.8317 -20.7980 -20.7980 -20.7898 -20.7898 -0.5964 -0.5964 1.1330 1.1330 5.3815 5.3815 5.9835 5.9835 7.3025 7.3025 8.8059 8.8059 8.9685 8.9685 10.5941 10.5941 11.6974 11.6974 13.1667 13.1667 13.2074 13.2074 13.3746 13.3746 13.5353 13.5353 13.5799 13.5799 k = 0.4702 0.3402-0.0000 ( 6642 PWs) bands (ev): -44.7000 -44.7000 -44.6982 -44.6982 -21.4690 -21.4690 -21.4612 -21.4612 -20.8401 -20.8401 -20.8317 -20.8317 -20.7982 -20.7982 -20.7899 -20.7899 -0.5926 -0.5926 1.1354 1.1354 5.3950 5.3950 5.9856 5.9856 7.3074 7.3074 8.7828 8.7828 8.8908 8.8908 10.6440 10.6440 11.6812 11.6812 13.1569 13.1569 13.2375 13.2375 13.3593 13.3593 13.5279 13.5279 13.6047 13.6047 k = 0.4643 0.3505-0.0000 ( 6642 PWs) bands (ev): -44.6999 -44.6999 -44.6982 -44.6982 -21.4691 -21.4691 -21.4612 -21.4612 -20.8399 -20.8399 -20.8316 -20.8316 -20.7984 -20.7984 -20.7901 -20.7901 -0.5879 -0.5879 1.1383 1.1383 5.4114 5.4114 5.9880 5.9880 7.3133 7.3133 8.7551 8.7551 8.8027 8.8027 10.6991 10.6991 11.6624 11.6624 13.1457 13.1457 13.2730 13.2730 13.3422 13.3422 13.5198 13.5198 13.6327 13.6327 k = 0.4583 0.3608-0.0000 ( 6634 PWs) bands (ev): -44.6999 -44.6999 -44.6982 -44.6982 -21.4691 -21.4691 -21.4613 -21.4613 -20.8398 -20.8398 -20.8316 -20.8316 -20.7986 -20.7986 -20.7903 -20.7903 -0.5825 -0.5825 1.1417 1.1417 5.4308 5.4308 5.9909 5.9909 7.3204 7.3204 8.7058 8.7058 8.7238 8.7238 10.7578 10.7578 11.6418 11.6418 13.1335 13.1335 13.3101 13.3101 13.3270 13.3270 13.5115 13.5115 13.6632 13.6632 k = 0.4524 0.3712-0.0000 ( 6638 PWs) bands (ev): -44.6999 -44.6999 -44.6982 -44.6982 -21.4691 -21.4691 -21.4613 -21.4613 -20.8397 -20.8397 -20.8316 -20.8316 -20.7989 -20.7989 -20.7906 -20.7906 -0.5763 -0.5763 1.1455 1.1455 5.4530 5.4530 5.9942 5.9942 7.3284 7.3284 8.6034 8.6034 8.6879 8.6879 10.8189 10.8189 11.6197 11.6197 13.1203 13.1203 13.3009 13.3009 13.3612 13.3612 13.5032 13.5032 13.6955 13.6956 k = 0.4464 0.3815-0.0000 ( 6644 PWs) bands (ev): -44.6998 -44.6998 -44.6982 -44.6982 -21.4692 -21.4692 -21.4614 -21.4614 -20.8395 -20.8395 -20.8315 -20.8315 -20.7992 -20.7992 -20.7908 -20.7908 -0.5696 -0.5696 1.1498 1.1498 5.4781 5.4781 5.9978 5.9978 7.3375 7.3375 8.4959 8.4959 8.6488 8.6488 10.8814 10.8814 11.5968 11.5968 13.1057 13.1057 13.2800 13.2800 13.4101 13.4101 13.4949 13.4949 13.7255 13.7257 k = 0.4405 0.3918-0.0000 ( 6636 PWs) bands (ev): -44.6998 -44.6998 -44.6982 -44.6982 -21.4692 -21.4692 -21.4615 -21.4615 -20.8393 -20.8393 -20.8315 -20.8315 -20.7995 -20.7995 -20.7911 -20.7911 -0.5622 -0.5622 1.1544 1.1544 5.5060 5.5060 6.0018 6.0018 7.3475 7.3475 8.3849 8.3849 8.6067 8.6067 10.9448 10.9448 11.5735 11.5735 13.0893 13.0893 13.2587 13.2587 13.4627 13.4627 13.4869 13.4869 13.7326 13.7327 k = 0.4345 0.4021-0.0000 ( 6632 PWs) bands (ev): -44.6998 -44.6998 -44.6982 -44.6982 -21.4692 -21.4692 -21.4615 -21.4615 -20.8392 -20.8392 -20.8314 -20.8314 -20.7999 -20.7999 -20.7914 -20.7914 -0.5542 -0.5542 1.1593 1.1593 5.5367 5.5367 6.0061 6.0061 7.3586 7.3586 8.2713 8.2713 8.5621 8.5621 11.0084 11.0084 11.5504 11.5504 13.0700 13.0700 13.2383 13.2383 13.4784 13.4784 13.5191 13.5191 13.7282 13.7282 k = 0.4286 0.4124-0.0000 ( 6632 PWs) bands (ev): -44.6997 -44.6997 -44.6982 -44.6982 -21.4693 -21.4693 -21.4616 -21.4616 -20.8390 -20.8390 -20.8313 -20.8313 -20.8002 -20.8002 -20.7917 -20.7917 -0.5458 -0.5458 1.1645 1.1645 5.5700 5.5700 6.0108 6.0108 7.3706 7.3706 8.1561 8.1561 8.5155 8.5155 11.0719 11.0719 11.5281 11.5281 13.0469 13.0469 13.2199 13.2199 13.4706 13.4706 13.5775 13.5775 13.7218 13.7218 k = 0.4226 0.4227-0.0000 ( 6632 PWs) bands (ev): -44.6997 -44.6997 -44.6982 -44.6982 -21.4693 -21.4693 -21.4617 -21.4617 -20.8388 -20.8388 -20.8313 -20.8313 -20.8006 -20.8006 -20.7920 -20.7920 -0.5370 -0.5370 1.1699 1.1699 5.6059 5.6059 6.0157 6.0157 7.3834 7.3834 8.0401 8.0401 8.4672 8.4672 11.1348 11.1348 11.5072 11.5072 13.0191 13.0191 13.2047 13.2047 13.4630 13.4630 13.6381 13.6381 13.7145 13.7145 k = 0.4167 0.4330-0.0000 ( 6630 PWs) bands (ev): -44.6996 -44.6996 -44.6983 -44.6983 -21.4693 -21.4693 -21.4618 -21.4618 -20.8386 -20.8386 -20.8312 -20.8312 -20.8010 -20.8010 -20.7923 -20.7923 -0.5279 -0.5279 1.1755 1.1755 5.6443 5.6443 6.0210 6.0210 7.3971 7.3971 7.9239 7.9239 8.4177 8.4177 11.1961 11.1961 11.4889 11.4889 12.9861 12.9861 13.1932 13.1932 13.4555 13.4555 13.6979 13.6979 13.7091 13.7091 k = 0.4107 0.4433-0.0000 ( 6626 PWs) bands (ev): -44.6995 -44.6995 -44.6983 -44.6983 -21.4694 -21.4694 -21.4619 -21.4619 -20.8384 -20.8384 -20.8311 -20.8311 -20.8014 -20.8014 -20.7926 -20.7926 -0.5186 -0.5186 1.1812 1.1812 5.6851 5.6851 6.0266 6.0266 7.4116 7.4116 7.8083 7.8083 8.3676 8.3676 11.2538 11.2538 11.4755 11.4755 12.9480 12.9480 13.1854 13.1854 13.4482 13.4482 13.6965 13.6965 13.7656 13.7656 k = 0.4048 0.4536-0.0000 ( 6636 PWs) bands (ev): -44.6995 -44.6995 -44.6983 -44.6983 -21.4694 -21.4694 -21.4620 -21.4620 -20.8382 -20.8382 -20.8310 -20.8310 -20.8019 -20.8019 -20.7929 -20.7929 -0.5092 -0.5092 1.1869 1.1869 5.7279 5.7279 6.0326 6.0326 7.4269 7.4269 7.6937 7.6937 8.3173 8.3173 11.3028 11.3028 11.4723 11.4723 12.9052 12.9052 13.1810 13.1810 13.4411 13.4411 13.6871 13.6871 13.8307 13.8307 k = 0.3988 0.4639-0.0000 ( 6640 PWs) bands (ev): -44.6994 -44.6994 -44.6983 -44.6983 -21.4695 -21.4695 -21.4621 -21.4621 -20.8380 -20.8380 -20.8309 -20.8309 -20.8023 -20.8023 -20.7931 -20.7931 -0.4999 -0.4999 1.1926 1.1926 5.7725 5.7725 6.0392 6.0392 7.4426 7.4426 7.5808 7.5808 8.2673 8.2673 11.3337 11.3337 11.4886 11.4886 12.8583 12.8583 13.1798 13.1798 13.4341 13.4341 13.6771 13.6771 13.8969 13.8969 k = 0.3929 0.4743-0.0000 ( 6632 PWs) bands (ev): -44.6994 -44.6994 -44.6983 -44.6983 -21.4695 -21.4695 -21.4621 -21.4621 -20.8378 -20.8378 -20.8309 -20.8309 -20.8027 -20.8027 -20.7934 -20.7934 -0.4906 -0.4906 1.1982 1.1982 5.8184 5.8184 6.0468 6.0468 7.4568 7.4568 7.4723 7.4723 8.2180 8.2180 11.3430 11.3430 11.5284 11.5284 12.8078 12.8078 13.1812 13.1812 13.4270 13.4270 13.6669 13.6669 13.9635 13.9636 k = 0.3869 0.4846-0.0000 ( 6622 PWs) bands (ev): -44.6993 -44.6993 -44.6984 -44.6984 -21.4695 -21.4695 -21.4622 -21.4622 -20.8376 -20.8376 -20.8308 -20.8308 -20.8031 -20.8031 -20.7937 -20.7937 -0.4815 -0.4815 1.2036 1.2036 5.8647 5.8647 6.0559 6.0559 7.3612 7.3612 7.4764 7.4764 8.1701 8.1701 11.3393 11.3393 11.5831 11.5831 12.7540 12.7540 13.1852 13.1852 13.4198 13.4198 13.6566 13.6566 14.0305 14.0305 k = 0.3810 0.4949-0.0000 ( 6630 PWs) bands (ev): -44.6992 -44.6992 -44.6984 -44.6984 -21.4696 -21.4696 -21.4623 -21.4623 -20.8375 -20.8375 -20.8307 -20.8307 -20.8035 -20.8035 -20.7939 -20.7939 -0.4729 -0.4729 1.2088 1.2088 5.9097 5.9097 6.0680 6.0680 7.2562 7.2562 7.4933 7.4933 8.1240 8.1240 11.3307 11.3307 11.6444 11.6444 12.6974 12.6974 13.1913 13.1913 13.4122 13.4122 13.6464 13.6464 14.0974 14.0974 k = 0.3750 0.5052-0.0000 ( 6632 PWs) bands (ev): -44.6992 -44.6992 -44.6984 -44.6984 -21.4696 -21.4696 -21.4624 -21.4624 -20.8373 -20.8373 -20.8307 -20.8307 -20.8039 -20.8039 -20.7941 -20.7941 -0.4647 -0.4647 1.2137 1.2137 5.9504 5.9504 6.0859 6.0859 7.1548 7.1548 7.5102 7.5102 8.0803 8.0803 11.3210 11.3210 11.7090 11.7090 12.6384 12.6384 13.1996 13.1996 13.4040 13.4040 13.6368 13.6368 14.1440 14.1440 k = 0.3690 0.5155-0.0000 ( 6634 PWs) bands (ev): -44.6991 -44.6991 -44.6985 -44.6985 -21.4696 -21.4696 -21.4625 -21.4625 -20.8372 -20.8372 -20.8306 -20.8306 -20.8042 -20.8042 -20.7943 -20.7943 -0.4572 -0.4572 1.2181 1.2181 5.9826 5.9826 6.1132 6.1132 7.0578 7.0578 7.5268 7.5268 8.0397 8.0397 11.3115 11.3115 11.7752 11.7752 12.5773 12.5773 13.2097 13.2097 13.3948 13.3948 13.6279 13.6279 14.1542 14.1542 k = 0.3631 0.5258-0.0000 ( 6640 PWs) bands (ev): -44.6990 -44.6990 -44.6985 -44.6985 -21.4696 -21.4696 -21.4625 -21.4625 -20.8371 -20.8371 -20.8305 -20.8305 -20.8045 -20.8045 -20.7945 -20.7945 -0.4504 -0.4504 1.2221 1.2221 6.0042 6.0042 6.1513 6.1513 6.9659 6.9659 7.5425 7.5425 8.0029 8.0029 11.3029 11.3029 11.8424 11.8424 12.5145 12.5145 13.2217 13.2217 13.3845 13.3845 13.6201 13.6201 14.1628 14.1628 k = 0.3571 0.5361-0.0000 ( 6640 PWs) bands (ev): -44.6990 -44.6990 -44.6985 -44.6985 -21.4697 -21.4697 -21.4626 -21.4626 -20.8370 -20.8370 -20.8305 -20.8305 -20.8048 -20.8048 -20.7946 -20.7946 -0.4446 -0.4446 1.2255 1.2255 6.0174 6.0174 6.1970 6.1970 6.8805 6.8805 7.5568 7.5568 7.9708 7.9708 11.2956 11.2956 11.9100 11.9100 12.4502 12.4502 13.2354 13.2354 13.3726 13.3726 13.6137 13.6137 14.1699 14.1699 k = 0.3512 0.5464-0.0000 ( 6640 PWs) bands (ev): -44.6989 -44.6989 -44.6986 -44.6986 -21.4697 -21.4697 -21.4627 -21.4627 -20.8369 -20.8369 -20.8305 -20.8305 -20.8050 -20.8050 -20.7947 -20.7947 -0.4398 -0.4398 1.2283 1.2283 6.0254 6.0254 6.2452 6.2452 6.8036 6.8036 7.5690 7.5690 7.9445 7.9445 11.2899 11.2899 11.9777 11.9777 12.3849 12.3849 13.2508 13.2508 13.3591 13.3591 13.6088 13.6088 14.1755 14.1755 k = 0.3452 0.5567-0.0000 ( 6644 PWs) bands (ev): -44.6989 -44.6989 -44.6986 -44.6986 -21.4697 -21.4697 -21.4627 -21.4627 -20.8368 -20.8368 -20.8305 -20.8305 -20.8052 -20.8052 -20.7948 -20.7948 -0.4362 -0.4362 1.2304 1.2304 6.0301 6.0301 6.2903 6.2903 6.7388 6.7388 7.5782 7.5782 7.9248 7.9248 11.2857 11.2857 12.0450 12.0450 12.3193 12.3193 13.2675 13.2675 13.3437 13.3437 13.6055 13.6055 14.1794 14.1794 k = 0.3393 0.5670-0.0000 ( 6644 PWs) bands (ev): -44.6988 -44.6988 -44.6987 -44.6987 -21.4697 -21.4697 -21.4627 -21.4627 -20.8368 -20.8368 -20.8305 -20.8305 -20.8052 -20.8052 -20.7948 -20.7948 -0.4339 -0.4339 1.2317 1.2317 6.0326 6.0326 6.3245 6.3245 6.6931 6.6931 7.5838 7.5838 7.9128 7.9128 11.2832 11.2832 12.1105 12.1105 12.2547 12.2547 13.2854 13.2854 13.3267 13.3267 13.6037 13.6037 14.1818 14.1818 k = 0.3333 0.5774-0.0000 ( 6648 PWs) bands (ev): -44.6988 -44.6988 -44.6987 -44.6987 -21.4697 -21.4697 -21.4627 -21.4627 -20.8368 -20.8368 -20.8305 -20.8305 -20.8053 -20.8053 -20.7948 -20.7948 -0.4331 -0.4331 1.2321 1.2321 6.0334 6.0334 6.3376 6.3376 6.6761 6.6761 7.5856 7.5856 7.9088 7.9088 11.2824 11.2824 12.1568 12.1568 12.2086 12.2086 13.2998 13.2998 13.3126 13.3126 13.6031 13.6031 14.1826 14.1826 k = 0.3333 0.5774-0.0000 ( 6648 PWs) bands (ev): -44.6988 -44.6988 -44.6987 -44.6987 -21.4697 -21.4697 -21.4627 -21.4627 -20.8368 -20.8368 -20.8305 -20.8305 -20.8053 -20.8053 -20.7948 -20.7948 -0.4331 -0.4331 1.2321 1.2321 6.0334 6.0334 6.3376 6.3376 6.6761 6.6761 7.5856 7.5856 7.9088 7.9088 11.2824 11.2824 12.1568 12.1568 12.2086 12.2086 13.2998 13.2998 13.3126 13.3126 13.6031 13.6031 14.1826 14.1826 k = 0.3273 0.5669-0.0000 ( 6644 PWs) bands (ev): -44.6988 -44.6988 -44.6987 -44.6987 -21.4697 -21.4697 -21.4627 -21.4627 -20.8368 -20.8368 -20.8305 -20.8305 -20.8052 -20.8052 -20.7948 -20.7948 -0.4340 -0.4340 1.2317 1.2317 6.0327 6.0327 6.3246 6.3246 6.6930 6.6930 7.5840 7.5840 7.9127 7.9127 11.2832 11.2832 12.1098 12.1098 12.2554 12.2554 13.2836 13.2836 13.3285 13.3285 13.6035 13.6035 14.1818 14.1818 k = 0.3212 0.5564-0.0000 ( 6636 PWs) bands (ev): -44.6989 -44.6989 -44.6986 -44.6986 -21.4697 -21.4697 -21.4627 -21.4627 -20.8368 -20.8368 -20.8305 -20.8305 -20.8051 -20.8051 -20.7948 -20.7948 -0.4366 -0.4366 1.2302 1.2302 6.0304 6.0304 6.2926 6.2926 6.7367 6.7367 7.5799 7.5799 7.9239 7.9239 11.2858 11.2858 12.0444 12.0444 12.3202 12.3202 13.2606 13.2606 13.3506 13.3506 13.6045 13.6045 14.1791 14.1791 k = 0.3152 0.5459-0.0000 ( 6638 PWs) bands (ev): -44.6989 -44.6989 -44.6986 -44.6986 -21.4697 -21.4697 -21.4626 -21.4626 -20.8369 -20.8369 -20.8304 -20.8304 -20.8050 -20.8050 -20.7947 -20.7947 -0.4412 -0.4412 1.2276 1.2276 6.0267 6.0267 6.2526 6.2526 6.7961 6.7961 7.5748 7.5748 7.9411 7.9411 11.2900 11.2900 11.9785 11.9785 12.3854 12.3854 13.2357 13.2357 13.3740 13.3740 13.6055 13.6055 14.1745 14.1745 k = 0.3091 0.5354-0.0000 ( 6642 PWs) bands (ev): -44.6990 -44.6990 -44.6985 -44.6985 -21.4697 -21.4697 -21.4626 -21.4626 -20.8370 -20.8370 -20.8304 -20.8304 -20.8047 -20.8047 -20.7946 -20.7946 -0.4478 -0.4478 1.2239 1.2239 6.0215 6.0215 6.2113 6.2113 6.8645 6.8645 7.5699 7.5699 7.9632 7.9632 11.2957 11.2957 11.9134 11.9134 12.4499 12.4499 13.2092 13.2092 13.3984 13.3984 13.6059 13.6059 14.1675 14.1675 k = 0.3030 0.5249-0.0000 ( 6638 PWs) bands (ev): -44.6991 -44.6991 -44.6985 -44.6985 -21.4696 -21.4696 -21.4625 -21.4625 -20.8372 -20.8372 -20.8303 -20.8303 -20.8045 -20.8045 -20.7944 -20.7944 -0.4565 -0.4565 1.2191 1.2191 6.0147 6.0147 6.1723 6.1723 6.9383 6.9383 7.5663 7.5663 7.9893 7.9893 11.3029 11.3029 11.8498 11.8498 12.5131 12.5131 13.1814 13.1814 13.4235 13.4235 13.6052 13.6052 14.1573 14.1573 k = 0.2970 0.5144-0.0000 ( 6638 PWs) bands (ev): -44.6991 -44.6991 -44.6985 -44.6985 -21.4696 -21.4696 -21.4623 -21.4623 -20.8374 -20.8374 -20.8302 -20.8302 -20.8041 -20.8041 -20.7943 -20.7943 -0.4674 -0.4674 1.2131 1.2131 6.0064 6.0064 6.1373 6.1373 7.0157 7.0157 7.5649 7.5649 8.0185 8.0185 11.3113 11.3113 11.7881 11.7881 12.5751 12.5751 13.1525 13.1525 13.4491 13.4491 13.6028 13.6028 14.1426 14.1426 k = 0.2909 0.5039-0.0000 ( 6642 PWs) bands (ev): -44.6992 -44.6992 -44.6984 -44.6984 -21.4696 -21.4696 -21.4622 -21.4622 -20.8376 -20.8376 -20.8301 -20.8301 -20.8037 -20.8037 -20.7941 -20.7941 -0.4805 -0.4805 1.2059 1.2059 5.9965 5.9965 6.1074 6.1074 7.0956 7.0956 7.5663 7.5663 8.0505 8.0505 11.3208 11.3208 11.7287 11.7287 12.6356 12.6356 13.1225 13.1225 13.4749 13.4749 13.5983 13.5983 14.1205 14.1205 k = 0.2848 0.4934-0.0000 ( 6638 PWs) bands (ev): -44.6993 -44.6993 -44.6984 -44.6984 -21.4696 -21.4696 -21.4620 -21.4620 -20.8379 -20.8379 -20.8299 -20.8299 -20.8032 -20.8032 -20.7938 -20.7938 -0.4959 -0.4959 1.1975 1.1975 5.9849 5.9849 6.0830 6.0830 7.1774 7.1774 7.5709 7.5709 8.0848 8.0848 11.3309 11.3309 11.6723 11.6723 12.6946 12.6946 13.0918 13.0918 13.5004 13.5004 13.5911 13.5911 14.0703 14.0705 k = 0.2788 0.4829-0.0000 ( 6640 PWs) bands (ev): -44.6994 -44.6994 -44.6984 -44.6984 -21.4695 -21.4695 -21.4618 -21.4618 -20.8382 -20.8382 -20.8297 -20.8297 -20.8027 -20.8027 -20.7936 -20.7936 -0.5136 -0.5136 1.1878 1.1878 5.9718 5.9718 6.0644 6.0644 7.2605 7.2605 7.5792 7.5792 8.1211 8.1211 11.3411 11.3411 11.6197 11.6197 12.7521 12.7521 13.0604 13.0604 13.5251 13.5251 13.5809 13.5809 14.0066 14.0067 k = 0.2727 0.4724-0.0000 ( 6644 PWs) bands (ev): -44.6995 -44.6995 -44.6984 -44.6984 -21.4695 -21.4695 -21.4615 -21.4615 -20.8385 -20.8385 -20.8294 -20.8294 -20.8022 -20.8022 -20.7933 -20.7933 -0.5336 -0.5336 1.1770 1.1770 5.9571 5.9571 6.0518 6.0518 7.3446 7.3446 7.5913 7.5913 8.1593 8.1593 11.3502 11.3502 11.5719 11.5719 12.8079 12.8079 13.0287 13.0287 13.5479 13.5479 13.5677 13.5677 13.9474 13.9474 k = 0.2667 0.4619-0.0000 ( 6646 PWs) bands (ev): -44.6996 -44.6996 -44.6983 -44.6983 -21.4695 -21.4695 -21.4613 -21.4613 -20.8389 -20.8389 -20.8291 -20.8291 -20.8016 -20.8016 -20.7929 -20.7929 -0.5558 -0.5558 1.1650 1.1650 5.9408 5.9408 6.0452 6.0452 7.4294 7.4294 7.6074 7.6074 8.1993 8.1993 11.3561 11.3561 11.5315 11.5315 12.8613 12.8613 12.9977 12.9977 13.5496 13.5496 13.5690 13.5690 13.8948 13.8948 k = 0.2606 0.4514-0.0000 ( 6638 PWs) bands (ev): -44.6997 -44.6997 -44.6983 -44.6983 -21.4694 -21.4694 -21.4610 -21.4610 -20.8392 -20.8392 -20.8288 -20.8288 -20.8010 -20.8010 -20.7926 -20.7926 -0.5803 -0.5803 1.1518 1.1518 5.9228 5.9228 6.0449 6.0449 7.5145 7.5145 7.6277 7.6277 8.2409 8.2409 11.3547 11.3547 11.5022 11.5022 12.9072 12.9072 12.9723 12.9723 13.5296 13.5296 13.5829 13.5829 13.8513 13.8513 k = 0.2545 0.4409-0.0000 ( 6636 PWs) bands (ev): -44.6998 -44.6998 -44.6983 -44.6983 -21.4694 -21.4694 -21.4607 -21.4607 -20.8396 -20.8396 -20.8284 -20.8284 -20.8003 -20.8003 -20.7922 -20.7922 -0.6069 -0.6069 1.1375 1.1375 5.9031 5.9031 6.0508 6.0508 7.5995 7.5995 7.6522 7.6522 8.2842 8.2842 11.3420 11.3420 11.4883 11.4883 12.9127 12.9127 12.9860 12.9860 13.5059 13.5059 13.5879 13.5879 13.8205 13.8205 k = 0.2485 0.4304-0.0000 ( 6636 PWs) bands (ev): -44.6999 -44.6999 -44.6983 -44.6983 -21.4693 -21.4693 -21.4603 -21.4603 -20.8400 -20.8400 -20.8280 -20.8280 -20.7996 -20.7996 -20.7918 -20.7918 -0.6356 -0.6356 1.1221 1.1221 5.8815 5.8815 6.0630 6.0630 7.6789 7.6789 7.6864 7.6864 8.3290 8.3290 11.3190 11.3190 11.4888 11.4888 12.8846 12.8846 13.0318 13.0318 13.4791 13.4791 13.5806 13.5806 13.8039 13.8039 k = 0.2424 0.4199-0.0000 ( 6644 PWs) bands (ev): -44.7000 -44.7000 -44.6983 -44.6983 -21.4693 -21.4693 -21.4599 -21.4599 -20.8403 -20.8403 -20.8276 -20.8276 -20.7989 -20.7989 -20.7914 -20.7914 -0.6662 -0.6662 1.1057 1.1057 5.8582 5.8582 6.0814 6.0814 7.7133 7.7133 7.7692 7.7692 8.3753 8.3753 11.2910 11.2910 11.4984 11.4984 12.8516 12.8516 13.0813 13.0813 13.4496 13.4496 13.5619 13.5619 13.7886 13.7887 k = 0.2364 0.4094-0.0000 ( 6656 PWs) bands (ev): -44.7001 -44.7001 -44.6983 -44.6983 -21.4692 -21.4692 -21.4595 -21.4595 -20.8407 -20.8407 -20.8271 -20.8271 -20.7981 -20.7981 -20.7910 -20.7910 -0.6986 -0.6986 1.0884 1.0884 5.8330 5.8330 6.1059 6.1059 7.7505 7.7505 7.8527 7.8527 8.4232 8.4232 11.2620 11.2620 11.5130 11.5130 12.8173 12.8173 13.1302 13.1302 13.4182 13.4182 13.5365 13.5365 13.7515 13.7515 k = 0.2303 0.3989-0.0000 ( 6650 PWs) bands (ev): -44.7002 -44.7002 -44.6984 -44.6984 -21.4691 -21.4691 -21.4591 -21.4591 -20.8410 -20.8410 -20.8266 -20.8266 -20.7973 -20.7973 -20.7905 -20.7905 -0.7327 -0.7327 1.0702 1.0702 5.8062 5.8062 6.1363 6.1363 7.7917 7.7917 7.9352 7.9352 8.4726 8.4726 11.2342 11.2342 11.5304 11.5304 12.7825 12.7825 13.1766 13.1766 13.3868 13.3868 13.5089 13.5089 13.7080 13.7080 k = 0.2242 0.3884-0.0000 ( 6650 PWs) bands (ev): -44.7003 -44.7003 -44.6984 -44.6984 -21.4690 -21.4690 -21.4587 -21.4587 -20.8414 -20.8414 -20.8261 -20.8261 -20.7965 -20.7965 -20.7900 -20.7900 -0.7684 -0.7684 1.0512 1.0512 5.7777 5.7777 6.1726 6.1726 7.8370 7.8370 8.0163 8.0163 8.5234 8.5234 11.2088 11.2088 11.5495 11.5495 12.7474 12.7474 13.2154 13.2154 13.3606 13.3606 13.4819 13.4819 13.6634 13.6635 k = 0.2182 0.3779-0.0000 ( 6654 PWs) bands (ev): -44.7004 -44.7004 -44.6984 -44.6984 -21.4689 -21.4689 -21.4582 -21.4582 -20.8417 -20.8417 -20.8256 -20.8256 -20.7957 -20.7957 -20.7895 -20.7895 -0.8055 -0.8055 1.0315 1.0315 5.7476 5.7476 6.2145 6.2145 7.8863 7.8863 8.0957 8.0957 8.5758 8.5758 11.1862 11.1862 11.5696 11.5696 12.7121 12.7121 13.2316 13.2316 13.3550 13.3550 13.4574 13.4574 13.6185 13.6185 k = 0.2121 0.3674-0.0000 ( 6668 PWs) bands (ev): -44.7006 -44.7006 -44.6984 -44.6984 -21.4688 -21.4688 -21.4577 -21.4577 -20.8420 -20.8420 -20.8250 -20.8250 -20.7949 -20.7949 -20.7889 -20.7889 -0.8438 -0.8438 1.0111 1.0111 5.7161 5.7161 6.2618 6.2618 7.9394 7.9394 8.1730 8.1730 8.6296 8.6296 11.1670 11.1670 11.5903 11.5903 12.6768 12.6768 13.2140 13.2140 13.3813 13.3813 13.4363 13.4363 13.5734 13.5734 k = 0.2061 0.3569-0.0000 ( 6660 PWs) bands (ev): -44.7007 -44.7007 -44.6985 -44.6985 -21.4687 -21.4687 -21.4572 -21.4572 -20.8423 -20.8423 -20.8245 -20.8245 -20.7940 -20.7940 -20.7884 -20.7884 -0.8831 -0.8831 0.9901 0.9901 5.6833 5.6833 6.3143 6.3143 7.9963 7.9963 8.2480 8.2480 8.6849 8.6849 11.1512 11.1512 11.6114 11.6114 12.6416 12.6416 13.1782 13.1782 13.4141 13.4141 13.4295 13.4295 13.5281 13.5281 k = 0.2000 0.3464-0.0000 ( 6666 PWs) bands (ev): -44.7008 -44.7008 -44.6985 -44.6985 -21.4686 -21.4686 -21.4567 -21.4567 -20.8426 -20.8426 -20.8239 -20.8239 -20.7931 -20.7931 -20.7878 -20.7878 -0.9233 -0.9233 0.9687 0.9687 5.6492 5.6492 6.3718 6.3718 8.0567 8.0567 8.3204 8.3204 8.7416 8.7416 11.1390 11.1390 11.6326 11.6326 12.6063 12.6063 13.1354 13.1354 13.4036 13.4036 13.4760 13.4760 13.4829 13.4829 k = 0.1939 0.3359-0.0000 ( 6664 PWs) bands (ev): -44.7009 -44.7009 -44.6985 -44.6985 -21.4684 -21.4684 -21.4562 -21.4562 -20.8428 -20.8428 -20.8233 -20.8233 -20.7923 -20.7923 -20.7872 -20.7872 -0.9643 -0.9643 0.9470 0.9470 5.6141 5.6141 6.4341 6.4341 8.1206 8.1206 8.3899 8.3899 8.7998 8.7998 11.1307 11.1307 11.6539 11.6539 12.5713 12.5713 13.0893 13.0893 13.3942 13.3942 13.4373 13.4373 13.5285 13.5285 k = 0.1879 0.3254-0.0000 ( 6661 PWs) bands (ev): -44.7011 -44.7011 -44.6986 -44.6986 -21.4683 -21.4683 -21.4557 -21.4557 -20.8431 -20.8431 -20.8227 -20.8227 -20.7914 -20.7914 -20.7866 -20.7866 -1.0057 -1.0057 0.9249 0.9249 5.5780 5.5780 6.5009 6.5009 8.1876 8.1876 8.4561 8.4561 8.8595 8.8595 11.1262 11.1262 11.6750 11.6750 12.5363 12.5363 13.0412 13.0412 13.3882 13.3882 13.3922 13.3922 13.5827 13.5827 k = 0.1818 0.3149-0.0000 ( 6667 PWs) bands (ev): -44.7012 -44.7012 -44.6986 -44.6986 -21.4681 -21.4681 -21.4551 -21.4551 -20.8433 -20.8433 -20.8221 -20.8221 -20.7904 -20.7904 -20.7860 -20.7860 -1.0476 -1.0476 0.9026 0.9026 5.5411 5.5411 6.5720 6.5720 8.2577 8.2577 8.5189 8.5189 8.9205 8.9205 11.1257 11.1257 11.6959 11.6959 12.5016 12.5016 12.9919 12.9919 13.3459 13.3459 13.3872 13.3872 13.6384 13.6384 k = 0.1758 0.3044-0.0000 ( 6655 PWs) bands (ev): -44.7013 -44.7013 -44.6987 -44.6987 -21.4680 -21.4680 -21.4546 -21.4546 -20.8435 -20.8435 -20.8215 -20.8215 -20.7895 -20.7895 -20.7854 -20.7854 -1.0896 -1.0896 0.8802 0.8802 5.5036 5.5036 6.6471 6.6471 8.3307 8.3307 8.5779 8.5779 8.9829 8.9829 11.1293 11.1293 11.7164 11.7164 12.4671 12.4671 12.9418 12.9418 13.3001 13.3001 13.3892 13.3892 13.6953 13.6953 k = 0.1697 0.2939-0.0000 ( 6647 PWs) bands (ev): -44.7014 -44.7014 -44.6987 -44.6987 -21.4678 -21.4678 -21.4540 -21.4540 -20.8437 -20.8437 -20.8209 -20.8209 -20.7886 -20.7886 -20.7847 -20.7847 -1.1317 -1.1317 0.8578 0.8578 5.4657 5.4657 6.7260 6.7260 8.4062 8.4062 8.6331 8.6331 9.0466 9.0466 11.1370 11.1370 11.7366 11.7366 12.4329 12.4329 12.8913 12.8913 13.2542 13.2542 13.3944 13.3944 13.7532 13.7532 k = 0.1636 0.2834-0.0000 ( 6655 PWs) bands (ev): -44.7016 -44.7016 -44.6988 -44.6988 -21.4677 -21.4677 -21.4535 -21.4535 -20.8439 -20.8439 -20.8203 -20.8203 -20.7877 -20.7877 -20.7841 -20.7841 -1.1736 -1.1736 0.8354 0.8354 5.4274 5.4274 6.8083 6.8083 8.4840 8.4840 8.6842 8.6842 9.1116 9.1116 11.1487 11.1487 11.7562 11.7562 12.3989 12.3989 12.8406 12.8406 13.2081 13.2081 13.4024 13.4024 13.8119 13.8119 k = 0.1576 0.2729-0.0000 ( 6661 PWs) bands (ev): -44.7017 -44.7017 -44.6989 -44.6989 -21.4675 -21.4675 -21.4529 -21.4529 -20.8440 -20.8440 -20.8197 -20.8197 -20.7867 -20.7867 -20.7834 -20.7834 -1.2153 -1.2153 0.8132 0.8132 5.3889 5.3889 6.8939 6.8939 8.5640 8.5640 8.7312 8.7312 9.1779 9.1779 11.1646 11.1646 11.7754 11.7754 12.3653 12.3653 12.7900 12.7900 13.1620 13.1620 13.4127 13.4127 13.8714 13.8714 k = 0.1515 0.2624-0.0000 ( 6667 PWs) bands (ev): -44.7018 -44.7018 -44.6989 -44.6989 -21.4673 -21.4673 -21.4524 -21.4524 -20.8442 -20.8442 -20.8191 -20.8191 -20.7858 -20.7858 -20.7827 -20.7827 -1.2565 -1.2565 0.7912 0.7912 5.3505 5.3505 6.9823 6.9823 8.6456 8.6456 8.7740 8.7740 9.2455 9.2455 11.1844 11.1844 11.7940 11.7940 12.3319 12.3319 12.7398 12.7398 13.1156 13.1156 13.4246 13.4246 13.9312 13.9312 k = 0.1455 0.2519-0.0000 ( 6667 PWs) bands (ev): -44.7019 -44.7019 -44.6990 -44.6990 -21.4671 -21.4671 -21.4518 -21.4518 -20.8443 -20.8443 -20.8185 -20.8185 -20.7849 -20.7849 -20.7820 -20.7820 -1.2972 -1.2972 0.7694 0.7694 5.3122 5.3122 7.0734 7.0734 8.7286 8.7286 8.8130 8.8130 9.3143 9.3143 11.2082 11.2082 11.8121 11.8121 12.2988 12.2988 12.6901 12.6901 13.0692 13.0692 13.4375 13.4375 13.9907 13.9907 k = 0.1394 0.2414-0.0000 ( 6665 PWs) bands (ev): -44.7020 -44.7020 -44.6991 -44.6991 -21.4669 -21.4669 -21.4513 -21.4513 -20.8444 -20.8444 -20.8180 -20.8180 -20.7840 -20.7840 -20.7813 -20.7813 -1.3372 -1.3372 0.7480 0.7480 5.2742 5.2742 7.1667 7.1667 8.8113 8.8113 8.8494 8.8494 9.3841 9.3841 11.2357 11.2357 11.8296 11.8296 12.2659 12.2659 12.6412 12.6412 13.0227 13.0227 13.4508 13.4508 14.0485 14.0485 k = 0.1333 0.2309-0.0000 ( 6669 PWs) bands (ev): -44.7022 -44.7022 -44.6991 -44.6991 -21.4668 -21.4668 -21.4507 -21.4507 -20.8445 -20.8445 -20.8175 -20.8175 -20.7831 -20.7831 -20.7806 -20.7806 -1.3763 -1.3763 0.7271 0.7271 5.2368 5.2368 7.2619 7.2619 8.8719 8.8719 8.9049 8.9049 9.4551 9.4551 11.2667 11.2667 11.8465 11.8465 12.2332 12.2332 12.5933 12.5933 12.9761 12.9761 13.4636 13.4636 14.1014 14.1014 k = 0.1273 0.2204-0.0000 ( 6671 PWs) bands (ev): -44.7023 -44.7023 -44.6992 -44.6992 -21.4666 -21.4666 -21.4502 -21.4502 -20.8446 -20.8446 -20.8169 -20.8169 -20.7822 -20.7822 -20.7799 -20.7799 -1.4145 -1.4145 0.7067 0.7067 5.1999 5.1999 7.3587 7.3587 8.9013 8.9013 8.9885 8.9885 9.5270 9.5270 11.3010 11.3010 11.8628 11.8628 12.2008 12.2008 12.5465 12.5465 12.9294 12.9294 13.4755 13.4755 14.1402 14.1402 k = 0.1212 0.2099-0.0000 ( 6675 PWs) bands (ev): -44.7024 -44.7024 -44.6993 -44.6993 -21.4664 -21.4664 -21.4497 -21.4497 -20.8447 -20.8447 -20.8164 -20.8164 -20.7813 -20.7813 -20.7792 -20.7792 -1.4516 -1.4516 0.6868 0.6868 5.1638 5.1638 7.4567 7.4567 8.9250 8.9250 9.0746 9.0746 9.5999 9.5999 11.3383 11.3383 11.8787 11.8787 12.1686 12.1686 12.5012 12.5012 12.8826 12.8826 13.4858 13.4858 14.1473 14.1473 k = 0.1152 0.1994-0.0000 ( 6671 PWs) bands (ev): -44.7025 -44.7025 -44.6993 -44.6993 -21.4662 -21.4662 -21.4492 -21.4492 -20.8448 -20.8448 -20.8160 -20.8160 -20.7804 -20.7804 -20.7785 -20.7785 -1.4876 -1.4876 0.6675 0.6675 5.1286 5.1286 7.5554 7.5554 8.9452 8.9452 9.1611 9.1611 9.6734 9.6734 11.3782 11.3782 11.8940 11.8940 12.1365 12.1365 12.4574 12.4574 12.8359 12.8359 13.4942 13.4942 14.1163 14.1163 k = 0.1091 0.1890-0.0000 ( 6661 PWs) bands (ev): -44.7026 -44.7026 -44.6994 -44.6994 -21.4660 -21.4660 -21.4487 -21.4487 -20.8449 -20.8449 -20.8155 -20.8155 -20.7796 -20.7796 -20.7778 -20.7778 -1.5223 -1.5223 0.6490 0.6490 5.0944 5.0944 7.6544 7.6544 8.9624 8.9624 9.2474 9.2474 9.7476 9.7476 11.4204 11.4204 11.9087 11.9087 12.1046 12.1046 12.4154 12.4154 12.7892 12.7892 13.5003 13.5003 14.0624 14.0624 k = 0.1030 0.1785-0.0000 ( 6655 PWs) bands (ev): -44.7027 -44.7027 -44.6995 -44.6995 -21.4658 -21.4658 -21.4483 -21.4483 -20.8449 -20.8449 -20.8151 -20.8151 -20.7787 -20.7787 -20.7771 -20.7771 -1.5556 -1.5556 0.6311 0.6311 5.0614 5.0614 7.7532 7.7532 8.9771 8.9771 9.3329 9.3329 9.8222 9.8222 11.4645 11.4645 11.9227 11.9227 12.0730 12.0730 12.3753 12.3753 12.7425 12.7425 13.5039 13.5039 13.9974 13.9974 k = 0.0970 0.1680-0.0000 ( 6647 PWs) bands (ev): -44.7028 -44.7028 -44.6995 -44.6995 -21.4657 -21.4657 -21.4478 -21.4478 -20.8450 -20.8450 -20.8147 -20.8147 -20.7779 -20.7779 -20.7765 -20.7765 -1.5874 -1.5874 0.6140 0.6140 5.0296 5.0296 7.8513 7.8513 8.9897 8.9897 9.4174 9.4174 9.8969 9.8969 11.5100 11.5100 11.9356 11.9356 12.0424 12.0424 12.3373 12.3373 12.6960 12.6960 13.5049 13.5049 13.9265 13.9265 k = 0.0909 0.1575-0.0000 ( 6643 PWs) bands (ev): -44.7029 -44.7029 -44.6996 -44.6996 -21.4655 -21.4655 -21.4474 -21.4474 -20.8450 -20.8450 -20.8143 -20.8143 -20.7772 -20.7772 -20.7758 -20.7758 -1.6177 -1.6177 0.5978 0.5978 4.9992 4.9992 7.9480 7.9480 9.0007 9.0007 9.5004 9.5004 9.9716 9.9716 11.5566 11.5566 11.9455 11.9455 12.0145 12.0145 12.3016 12.3016 12.6498 12.6498 13.5034 13.5034 13.8522 13.8522 k = 0.0848 0.1470-0.0000 ( 6641 PWs) bands (ev): -44.7030 -44.7030 -44.6996 -44.6996 -21.4653 -21.4653 -21.4470 -21.4470 -20.8451 -20.8451 -20.8139 -20.8139 -20.7765 -20.7765 -20.7752 -20.7752 -1.6464 -1.6464 0.5824 0.5824 4.9703 4.9703 8.0427 8.0427 9.0105 9.0105 9.5814 9.5814 10.0459 10.0459 11.6039 11.6039 11.9449 11.9449 11.9969 11.9969 12.2683 12.2683 12.6040 12.6040 13.4994 13.4994 13.7758 13.7758 k = 0.0788 0.1365-0.0000 ( 6633 PWs) bands (ev): -44.7031 -44.7031 -44.6997 -44.6997 -21.4652 -21.4652 -21.4466 -21.4466 -20.8451 -20.8451 -20.8136 -20.8136 -20.7758 -20.7758 -20.7746 -20.7746 -1.6734 -1.6734 0.5679 0.5679 4.9430 4.9430 8.1346 8.1346 9.0197 9.0197 9.6602 9.6602 10.1194 10.1194 11.6513 11.6513 11.9257 11.9257 11.9981 11.9981 12.2374 12.2374 12.5586 12.5586 13.4931 13.4931 13.6984 13.6984 k = 0.0727 0.1260-0.0000 ( 6645 PWs) bands (ev): -44.7032 -44.7032 -44.6998 -44.6998 -21.4650 -21.4650 -21.4462 -21.4462 -20.8451 -20.8451 -20.8133 -20.8133 -20.7751 -20.7751 -20.7740 -20.7740 -1.6987 -1.6987 0.5543 0.5543 4.9173 4.9173 8.2228 8.2228 9.0287 9.0287 9.7361 9.7361 10.1917 10.1917 11.6983 11.6983 11.8973 11.8973 12.0089 12.0089 12.2090 12.2090 12.5139 12.5139 13.4847 13.4847 13.6208 13.6208 k = 0.0667 0.1155-0.0000 ( 6641 PWs) bands (ev): -44.7032 -44.7032 -44.6998 -44.6998 -21.4649 -21.4649 -21.4459 -21.4459 -20.8452 -20.8452 -20.8130 -20.8130 -20.7745 -20.7745 -20.7735 -20.7735 -1.7221 -1.7221 0.5417 0.5417 4.8934 4.8934 8.3065 8.3065 9.0381 9.0381 9.8089 9.8089 10.2623 10.2623 11.7446 11.7446 11.8666 11.8666 12.0226 12.0226 12.1831 12.1831 12.4701 12.4701 13.4740 13.4740 13.5442 13.5442 k = 0.0606 0.1050-0.0000 ( 6639 PWs) bands (ev): -44.7033 -44.7033 -44.6999 -44.6999 -21.4648 -21.4648 -21.4456 -21.4456 -20.8452 -20.8452 -20.8127 -20.8127 -20.7739 -20.7739 -20.7729 -20.7729 -1.7437 -1.7437 0.5301 0.5301 4.8713 4.8713 8.3846 8.3846 9.0485 9.0485 9.8779 9.8779 10.3307 10.3307 11.7896 11.7896 11.8356 11.8356 12.0376 12.0376 12.1596 12.1596 12.4275 12.4275 13.4542 13.4542 13.4764 13.4764 k = 0.0545 0.0945-0.0000 ( 6643 PWs) bands (ev): -44.7034 -44.7034 -44.6999 -44.6999 -21.4647 -21.4647 -21.4453 -21.4453 -20.8452 -20.8452 -20.8125 -20.8125 -20.7734 -20.7734 -20.7725 -20.7725 -1.7634 -1.7634 0.5196 0.5196 4.8511 4.8511 8.4561 8.4561 9.0602 9.0602 9.9428 9.9428 10.3963 10.3963 11.8051 11.8051 11.8328 11.8328 12.0534 12.0534 12.1387 12.1387 12.3864 12.3864 13.3897 13.3897 13.4543 13.4543 k = 0.0485 0.0840-0.0000 ( 6653 PWs) bands (ev): -44.7034 -44.7034 -44.6999 -44.6999 -21.4646 -21.4646 -21.4450 -21.4450 -20.8452 -20.8452 -20.8123 -20.8123 -20.7729 -20.7729 -20.7720 -20.7720 -1.7811 -1.7811 0.5100 0.5100 4.8329 4.8329 8.5198 8.5198 9.0738 9.0738 10.0029 10.0029 10.4583 10.4583 11.7757 11.7757 11.8736 11.8736 12.0698 12.0698 12.1201 12.1201 12.3473 12.3473 13.3190 13.3190 13.4406 13.4406 k = 0.0424 0.0735-0.0000 ( 6651 PWs) bands (ev): -44.7035 -44.7035 -44.7000 -44.7000 -21.4645 -21.4645 -21.4448 -21.4448 -20.8452 -20.8452 -20.8121 -20.8121 -20.7725 -20.7725 -20.7716 -20.7716 -1.7968 -1.7968 0.5016 0.5016 4.8167 4.8167 8.5751 8.5751 9.0894 9.0894 10.0578 10.0578 10.5160 10.5160 11.7479 11.7479 11.9114 11.9114 12.0864 12.0864 12.1041 12.1041 12.3104 12.3104 13.2515 13.2515 13.4274 13.4274 k = 0.0364 0.0630-0.0000 ( 6655 PWs) bands (ev): -44.7035 -44.7035 -44.7000 -44.7000 -21.4644 -21.4644 -21.4446 -21.4446 -20.8453 -20.8453 -20.8120 -20.8120 -20.7722 -20.7722 -20.7713 -20.7713 -1.8105 -1.8105 0.4942 0.4942 4.8026 4.8026 8.6214 8.6214 9.1067 9.1067 10.1068 10.1068 10.5686 10.5686 11.7222 11.7222 11.9458 11.9458 12.0895 12.0895 12.1041 12.1041 12.2765 12.2765 13.1885 13.1885 13.4146 13.4146 k = 0.0303 0.0525-0.0000 ( 6663 PWs) bands (ev): -44.7036 -44.7036 -44.7000 -44.7000 -21.4643 -21.4643 -21.4444 -21.4444 -20.8453 -20.8453 -20.8118 -20.8118 -20.7718 -20.7718 -20.7710 -20.7710 -1.8221 -1.8221 0.4880 0.4880 4.7905 4.7905 8.6586 8.6586 9.1249 9.1249 10.1495 10.1495 10.6152 10.6152 11.6993 11.6993 11.9759 11.9759 12.0782 12.0782 12.1204 12.1204 12.2462 12.2462 13.1315 13.1315 13.4028 13.4028 k = 0.0242 0.0420-0.0000 ( 6671 PWs) bands (ev): -44.7036 -44.7036 -44.7001 -44.7001 -21.4643 -21.4643 -21.4443 -21.4443 -20.8453 -20.8453 -20.8117 -20.8117 -20.7716 -20.7716 -20.7707 -20.7707 -1.8317 -1.8317 0.4829 0.4829 4.7806 4.7806 8.6874 8.6874 9.1428 9.1428 10.1853 10.1853 10.6549 10.6549 11.6796 11.6796 12.0013 12.0013 12.0691 12.0691 12.1359 12.1359 12.2200 12.2200 13.0817 13.0817 13.3922 13.3922 k = 0.0182 0.0315-0.0000 ( 6671 PWs) bands (ev): -44.7036 -44.7036 -44.7001 -44.7001 -21.4642 -21.4642 -21.4442 -21.4442 -20.8453 -20.8453 -20.8116 -20.8116 -20.7714 -20.7714 -20.7705 -20.7705 -1.8391 -1.8391 0.4789 0.4789 4.7729 4.7729 8.7084 8.7084 9.1590 9.1590 10.2137 10.2137 10.6870 10.6870 11.6636 11.6636 12.0211 12.0211 12.0626 12.0626 12.1495 12.1495 12.1988 12.1988 13.0406 13.0406 13.3835 13.3835 k = 0.0121 0.0210-0.0000 ( 6671 PWs) bands (ev): -44.7036 -44.7036 -44.7001 -44.7001 -21.4642 -21.4642 -21.4441 -21.4441 -20.8453 -20.8453 -20.8116 -20.8116 -20.7712 -20.7712 -20.7704 -20.7704 -1.8444 -1.8444 0.4760 0.4760 4.7674 4.7674 8.7226 8.7226 9.1718 9.1718 10.2344 10.2344 10.7105 10.7105 11.6518 11.6518 12.0342 12.0342 12.0594 12.0594 12.1603 12.1603 12.1830 12.1830 13.0099 13.0099 13.3769 13.3769 k = 0.0061 0.0105-0.0000 ( 6679 PWs) bands (ev): -44.7037 -44.7037 -44.7001 -44.7001 -21.4642 -21.4642 -21.4440 -21.4440 -20.8453 -20.8453 -20.8115 -20.8115 -20.7711 -20.7711 -20.7703 -20.7703 -1.8477 -1.8477 0.4743 0.4743 4.7640 4.7640 8.7308 8.7308 9.1801 9.1801 10.2469 10.2469 10.7249 10.7249 11.6446 11.6446 12.0400 12.0400 12.0595 12.0595 12.1672 12.1672 12.1735 12.1735 12.9908 12.9908 13.3729 13.3729 k = 0.0000 0.0000 0.0000 ( 6665 PWs) bands (ev): -44.7037 -44.7037 -44.7001 -44.7001 -21.4641 -21.4641 -21.4440 -21.4440 -20.8453 -20.8453 -20.8115 -20.8115 -20.7711 -20.7711 -20.7703 -20.7703 -1.8487 -1.8487 0.4737 0.4737 4.7629 4.7629 8.7335 8.7335 9.1830 9.1830 10.2511 10.2511 10.7298 10.7298 11.6422 11.6422 12.0413 12.0413 12.0603 12.0603 12.1687 12.1687 12.1711 12.1711 12.9843 12.9843 13.3715 13.3715 k = 0.0000 0.0000 0.0000 ( 6665 PWs) bands (ev): -44.7037 -44.7037 -44.7001 -44.7001 -21.4641 -21.4641 -21.4440 -21.4440 -20.8453 -20.8453 -20.8115 -20.8115 -20.7711 -20.7711 -20.7703 -20.7703 -1.8487 -1.8487 0.4737 0.4737 4.7629 4.7629 8.7335 8.7335 9.1830 9.1830 10.2511 10.2511 10.7298 10.7298 11.6422 11.6422 12.0413 12.0413 12.0603 12.0603 12.1687 12.1687 12.1711 12.1711 12.9843 12.9843 13.3715 13.3715 k = 0.0000 0.0000 0.0122 ( 6676 PWs) bands (ev): -44.7037 -44.7037 -44.7001 -44.7001 -21.4641 -21.4641 -21.4440 -21.4440 -20.8453 -20.8453 -20.8116 -20.8116 -20.7711 -20.7711 -20.7703 -20.7703 -1.8473 -1.8473 0.4692 0.4692 4.7700 4.7700 8.7342 8.7342 9.1838 9.1838 10.2478 10.2478 10.7255 10.7255 11.6307 11.6307 12.0459 12.0459 12.0641 12.0641 12.1700 12.1700 12.1724 12.1724 12.9855 12.9855 13.3719 13.3719 k = 0.0000 0.0000 0.0244 ( 6670 PWs) bands (ev): -44.7036 -44.7036 -44.7001 -44.7001 -21.4641 -21.4641 -21.4441 -21.4441 -20.8452 -20.8452 -20.8117 -20.8117 -20.7711 -20.7711 -20.7703 -20.7703 -1.8429 -1.8429 0.4560 0.4560 4.7913 4.7913 8.7365 8.7365 9.1862 9.1862 10.2380 10.2380 10.7128 10.7128 11.5967 11.5967 12.0597 12.0597 12.0754 12.0754 12.1739 12.1739 12.1762 12.1762 12.9892 12.9892 13.3731 13.3731 k = 0.0000 0.0000 0.0366 ( 6658 PWs) bands (ev): -44.7036 -44.7036 -44.7001 -44.7001 -21.4640 -21.4640 -21.4442 -21.4442 -20.8450 -20.8450 -20.8118 -20.8118 -20.7711 -20.7711 -20.7703 -20.7703 -1.8356 -1.8356 0.4343 0.4343 4.8264 4.8264 8.7402 8.7402 9.1902 9.1902 10.2221 10.2221 10.6923 10.6923 11.5411 11.5411 12.0819 12.0819 12.0937 12.0937 12.1804 12.1804 12.1825 12.1825 12.9951 12.9951 13.3751 13.3751 k = 0.0000 0.0000 0.0488 ( 6658 PWs) bands (ev): -44.7036 -44.7036 -44.7002 -44.7002 -21.4638 -21.4638 -21.4443 -21.4443 -20.8448 -20.8448 -20.8121 -20.8121 -20.7711 -20.7711 -20.7703 -20.7703 -1.8254 -1.8254 0.4044 0.4044 4.8750 4.8750 8.7454 8.7454 9.1959 9.1959 10.2005 10.2005 10.6649 10.6649 11.4654 11.4654 12.1116 12.1116 12.1186 12.1186 12.1894 12.1894 12.1913 12.1913 13.0032 13.0032 13.3778 13.3778 k = 0.0000 0.0000 0.0610 ( 6664 PWs) bands (ev): -44.7036 -44.7036 -44.7002 -44.7002 -21.4636 -21.4636 -21.4445 -21.4445 -20.8445 -20.8445 -20.8124 -20.8124 -20.7711 -20.7711 -20.7703 -20.7703 -1.8123 -1.8123 0.3671 0.3671 4.9363 4.9363 8.7521 8.7521 9.2032 9.2032 10.1737 10.1737 10.6316 10.6316 11.3715 11.3715 12.1477 12.1477 12.1495 12.1495 12.2010 12.2010 12.2025 12.2025 13.0132 13.0132 13.3811 13.3811 k = 0.0000 0.0000 0.0732 ( 6682 PWs) bands (ev): -44.7035 -44.7035 -44.7002 -44.7002 -21.4634 -21.4634 -21.4447 -21.4447 -20.8442 -20.8442 -20.8128 -20.8128 -20.7711 -20.7711 -20.7703 -20.7703 -1.7964 -1.7964 0.3230 0.3230 5.0098 5.0098 8.7602 8.7602 9.2121 9.2121 10.1424 10.1424 10.5933 10.5933 11.2614 11.2614 12.1855 12.1855 12.1888 12.1888 12.2151 12.2151 12.2162 12.2162 13.0249 13.0249 13.3851 13.3851 k = 0.0000 0.0000 0.0854 ( 6682 PWs) bands (ev): -44.7035 -44.7035 -44.7003 -44.7003 -21.4631 -21.4631 -21.4449 -21.4449 -20.8437 -20.8437 -20.8132 -20.8132 -20.7711 -20.7711 -20.7703 -20.7703 -1.7775 -1.7775 0.2728 0.2728 5.0946 5.0946 8.7696 8.7696 9.2226 9.2226 10.1072 10.1072 10.5510 10.5510 11.1371 11.1371 12.2258 12.2258 12.2293 12.2293 12.2322 12.2322 12.2364 12.2364 13.0383 13.0383 13.3895 13.3895 k = 0.0000 0.0000 0.0976 ( 6682 PWs) bands (ev): -44.7034 -44.7034 -44.7003 -44.7003 -21.4628 -21.4628 -21.4452 -21.4452 -20.8433 -20.8433 -20.8137 -20.8137 -20.7711 -20.7711 -20.7703 -20.7703 -1.7558 -1.7558 0.2173 0.2173 5.1900 5.1900 8.7803 8.7803 9.2347 9.2347 10.0688 10.0688 10.5057 10.5057 11.0006 11.0006 12.2494 12.2494 12.2504 12.2504 12.2695 12.2695 12.2832 12.2832 13.0531 13.0531 13.3944 13.3944 k = 0.0000 0.0000 0.1098 ( 6658 PWs) bands (ev): -44.7034 -44.7034 -44.7004 -44.7004 -21.4625 -21.4625 -21.4455 -21.4455 -20.8428 -20.8428 -20.8143 -20.8143 -20.7710 -20.7710 -20.7704 -20.7704 -1.7313 -1.7313 0.1572 0.1572 5.2953 5.2953 8.7921 8.7921 9.2485 9.2485 10.0276 10.0276 10.4580 10.4580 10.8538 10.8538 12.2704 12.2704 12.2709 12.2709 12.3158 12.3158 12.3333 12.3333 13.0693 13.0693 13.3995 13.3995 k = 0.0000 0.0000 0.1221 ( 6658 PWs) bands (ev): -44.7033 -44.7033 -44.7004 -44.7004 -21.4621 -21.4621 -21.4459 -21.4459 -20.8422 -20.8422 -20.8149 -20.8149 -20.7710 -20.7710 -20.7704 -20.7704 -1.7039 -1.7039 0.0932 0.0932 5.4095 5.4095 8.8050 8.8050 9.2639 9.2639 9.9844 9.9844 10.4087 10.4087 10.6984 10.6984 12.2934 12.2934 12.2935 12.2935 12.3638 12.3638 12.3843 12.3843 13.0867 13.0867 13.4047 13.4047 k = 0.0000 0.0000 0.1343 ( 6658 PWs) bands (ev): -44.7032 -44.7032 -44.7005 -44.7005 -21.4617 -21.4617 -21.4462 -21.4462 -20.8416 -20.8416 -20.8155 -20.8155 -20.7710 -20.7710 -20.7704 -20.7704 -1.6738 -1.6738 0.0260 0.0260 5.5321 5.5321 8.8186 8.8186 9.2810 9.2810 9.9396 9.9396 10.3582 10.3582 10.5361 10.5361 12.3180 12.3180 12.3184 12.3184 12.4127 12.4127 12.4353 12.4353 13.1051 13.1051 13.4098 13.4098 k = 0.0000 0.0000 0.1465 ( 6658 PWs) bands (ev): -44.7032 -44.7032 -44.7006 -44.7006 -21.4613 -21.4613 -21.4466 -21.4466 -20.8409 -20.8409 -20.8163 -20.8163 -20.7710 -20.7710 -20.7704 -20.7704 -1.6409 -1.6409 -0.0436 -0.0436 5.6623 5.6623 8.8326 8.8326 9.2996 9.2996 9.8936 9.8936 10.3070 10.3070 10.3686 10.3686 12.3443 12.3443 12.3452 12.3452 12.4614 12.4614 12.4853 12.4853 13.1245 13.1245 13.4148 13.4148 k = 0.0000 0.0000 0.1587 ( 6646 PWs) bands (ev): -44.7031 -44.7031 -44.7007 -44.7007 -21.4609 -21.4609 -21.4471 -21.4471 -20.8402 -20.8402 -20.8170 -20.8170 -20.7710 -20.7710 -20.7704 -20.7704 -1.6052 -1.6052 -0.1153 -0.1153 5.7995 5.7995 8.8465 8.8465 9.3199 9.3199 9.8469 9.8469 10.1975 10.1975 10.2555 10.2555 12.3724 12.3724 12.3736 12.3736 12.5092 12.5092 12.5335 12.5335 13.1447 13.1447 13.4193 13.4193 k = 0.0000 0.0000 0.1709 ( 6634 PWs) bands (ev): -44.7030 -44.7030 -44.7007 -44.7007 -21.4604 -21.4604 -21.4475 -21.4475 -20.8394 -20.8394 -20.8179 -20.8179 -20.7710 -20.7710 -20.7704 -20.7704 -1.5668 -1.5668 -0.1884 -0.1884 5.9431 5.9431 8.8593 8.8593 9.3419 9.3419 9.7998 9.7998 10.0247 10.0247 10.2039 10.2039 12.4019 12.4019 12.4034 12.4034 12.5550 12.5550 12.5789 12.5789 13.1656 13.1656 13.4232 13.4232 k = 0.0000 0.0000 0.1831 ( 6640 PWs) bands (ev): -44.7029 -44.7029 -44.7008 -44.7008 -21.4599 -21.4599 -21.4480 -21.4480 -20.8386 -20.8386 -20.8187 -20.8187 -20.7709 -20.7709 -20.7705 -20.7705 -1.5258 -1.5258 -0.2624 -0.2624 6.0925 6.0925 8.8694 8.8694 9.3654 9.3654 9.7526 9.7526 9.8529 9.8529 10.1527 10.1527 12.4326 12.4326 12.4345 12.4345 12.5981 12.5981 12.6208 12.6208 13.1869 13.1869 13.4264 13.4264 k = 0.0000 0.0000 0.1953 ( 6652 PWs) bands (ev): -44.7028 -44.7028 -44.7009 -44.7009 -21.4593 -21.4593 -21.4485 -21.4485 -20.8377 -20.8377 -20.8196 -20.8196 -20.7709 -20.7709 -20.7705 -20.7705 -1.4821 -1.4821 -0.3369 -0.3369 6.2472 6.2472 8.8735 8.8735 9.3906 9.3906 9.6858 9.6858 9.7055 9.7055 10.1019 10.1019 12.4644 12.4644 12.4665 12.4665 12.6374 12.6374 12.6584 12.6584 13.2085 13.2085 13.4285 13.4285 k = 0.0000 0.0000 0.2075 ( 6658 PWs) bands (ev): -44.7027 -44.7027 -44.7010 -44.7010 -21.4588 -21.4588 -21.4491 -21.4491 -20.8368 -20.8368 -20.8205 -20.8205 -20.7709 -20.7709 -20.7705 -20.7705 -1.4359 -1.4359 -0.4116 -0.4116 6.4068 6.4068 8.8655 8.8655 9.4175 9.4175 9.5304 9.5304 9.6589 9.6589 10.0518 10.0518 12.4968 12.4968 12.4991 12.4991 12.6721 12.6721 12.6909 12.6909 13.2301 13.2301 13.4294 13.4294 k = 0.0000 0.0000 0.2197 ( 6670 PWs) bands (ev): -44.7026 -44.7026 -44.7011 -44.7011 -21.4582 -21.4582 -21.4496 -21.4496 -20.8359 -20.8359 -20.8215 -20.8215 -20.7709 -20.7709 -20.7705 -20.7705 -1.3871 -1.3871 -0.4861 -0.4861 6.5708 6.5708 8.8340 8.8340 9.3987 9.3987 9.4459 9.4459 9.6129 9.6129 10.0025 10.0025 12.5296 12.5296 12.5320 12.5320 12.7015 12.7015 12.7178 12.7178 13.2515 13.2515 13.4290 13.4290 k = 0.0000 0.0000 0.2319 ( 6670 PWs) bands (ev): -44.7025 -44.7025 -44.7012 -44.7012 -21.4576 -21.4576 -21.4502 -21.4502 -20.8349 -20.8349 -20.8225 -20.8225 -20.7709 -20.7709 -20.7706 -20.7706 -1.3359 -1.3359 -0.5601 -0.5601 6.7387 6.7387 8.7637 8.7637 9.3063 9.3063 9.4760 9.4760 9.5679 9.5679 9.9542 9.9542 12.5623 12.5623 12.5648 12.5648 12.7247 12.7247 12.7384 12.7384 13.2726 13.2726 13.4270 13.4270 k = 0.0000 0.0000 0.2441 ( 6670 PWs) bands (ev): -44.7024 -44.7024 -44.7013 -44.7013 -21.4570 -21.4570 -21.4508 -21.4508 -20.8339 -20.8339 -20.8235 -20.8235 -20.7708 -20.7708 -20.7706 -20.7706 -1.2822 -1.2822 -0.6333 -0.6333 6.9101 6.9101 8.6495 8.6495 9.2591 9.2591 9.5076 9.5076 9.5239 9.5239 9.9069 9.9069 12.5945 12.5945 12.5970 12.5970 12.7414 12.7414 12.7526 12.7526 13.2930 13.2930 13.4234 13.4234 k = 0.0000 0.0000 0.2563 ( 6706 PWs) bands (ev): -44.7023 -44.7023 -44.7014 -44.7014 -21.4564 -21.4564 -21.4514 -21.4514 -20.8329 -20.8329 -20.8245 -20.8245 -20.7708 -20.7708 -20.7706 -20.7706 -1.2262 -1.2262 -0.7055 -0.7055 7.0846 7.0846 8.5027 8.5027 9.2460 9.2460 9.4812 9.4812 9.5408 9.5408 9.8608 9.8608 12.6255 12.6255 12.6281 12.6281 12.7513 12.7513 12.7601 12.7601 13.3126 13.3126 13.4180 13.4180 k = 0.0000 0.0000 0.2685 ( 6694 PWs) bands (ev): -44.7022 -44.7022 -44.7015 -44.7015 -21.4558 -21.4558 -21.4520 -21.4520 -20.8319 -20.8319 -20.8256 -20.8256 -20.7708 -20.7708 -20.7706 -20.7706 -1.1680 -1.1680 -0.7766 -0.7766 7.2616 7.2616 8.3375 8.3375 9.2533 9.2533 9.4400 9.4400 9.5757 9.5757 9.8159 9.8159 12.6549 12.6549 12.6575 12.6575 12.7543 12.7543 12.7612 12.7612 13.3311 13.3311 13.4108 13.4108 k = 0.0000 0.0000 0.2807 ( 6694 PWs) bands (ev): -44.7021 -44.7021 -44.7017 -44.7017 -21.4551 -21.4551 -21.4526 -21.4526 -20.8309 -20.8309 -20.8266 -20.8266 -20.7708 -20.7708 -20.7706 -20.7706 -1.1075 -1.1075 -0.8462 -0.8462 7.4408 7.4408 8.1630 8.1630 9.2722 9.2722 9.4007 9.4007 9.6120 9.6120 9.7723 9.7723 12.6819 12.6819 12.6847 12.6847 12.7507 12.7507 12.7560 12.7560 13.3484 13.3484 13.4018 13.4018 k = 0.0000 0.0000 0.2929 ( 6706 PWs) bands (ev): -44.7020 -44.7020 -44.7018 -44.7018 -21.4545 -21.4545 -21.4532 -21.4532 -20.8298 -20.8298 -20.8277 -20.8277 -20.7707 -20.7707 -20.7707 -20.7707 -1.0450 -1.0450 -0.9142 -0.9142 7.6214 7.6214 7.9838 7.9838 9.2983 9.2983 9.3636 9.3636 9.6499 9.6499 9.7301 9.7301 12.7058 12.7058 12.7088 12.7088 12.7409 12.7409 12.7452 12.7452 13.3642 13.3642 13.3910 13.3910 k = 0.0000 0.0000 0.3051 ( 6706 PWs) bands (ev): -44.7019 -44.7019 -44.7019 -44.7019 -21.4539 -21.4539 -21.4539 -21.4539 -20.8288 -20.8288 -20.8288 -20.8288 -20.7707 -20.7707 -20.7707 -20.7707 -0.9806 -0.9806 -0.9806 -0.9806 7.8028 7.8028 7.8028 7.8028 9.3292 9.3292 9.3292 9.3292 9.6892 9.6892 9.6892 9.6892 12.7257 12.7257 12.7257 12.7257 12.7292 12.7292 12.7292 12.7292 13.3785 13.3785 13.3785 13.3785 k = 0.0000 0.0000 0.3051 ( 6706 PWs) bands (ev): -44.7019 -44.7019 -44.7019 -44.7019 -21.4539 -21.4539 -21.4539 -21.4539 -20.8288 -20.8288 -20.8288 -20.8288 -20.7707 -20.7707 -20.7707 -20.7707 -0.9806 -0.9806 -0.9806 -0.9806 7.8028 7.8028 7.8028 7.8028 9.3292 9.3292 9.3292 9.3292 9.6892 9.6892 9.6892 9.6892 12.7257 12.7257 12.7257 12.7257 12.7292 12.7292 12.7292 12.7292 13.3785 13.3785 13.3785 13.3785 k = 0.0106 0.0061 0.3051 ( 6698 PWs) bands (ev): -44.7019 -44.7019 -44.7019 -44.7019 -21.4539 -21.4539 -21.4539 -21.4539 -20.8288 -20.8288 -20.8288 -20.8288 -20.7707 -20.7707 -20.7707 -20.7707 -0.9796 -0.9796 -0.9796 -0.9796 7.8033 7.8033 7.8033 7.8033 9.3267 9.3267 9.3267 9.3267 9.6866 9.6866 9.6866 9.6866 12.7251 12.7251 12.7251 12.7251 12.7286 12.7286 12.7286 12.7286 13.3766 13.3766 13.3766 13.3766 k = 0.0213 0.0123 0.3051 ( 6692 PWs) bands (ev): -44.7019 -44.7019 -44.7019 -44.7019 -21.4539 -21.4539 -21.4539 -21.4539 -20.8288 -20.8288 -20.8288 -20.8288 -20.7708 -20.7708 -20.7708 -20.7708 -0.9768 -0.9768 -0.9768 -0.9768 7.8049 7.8049 7.8049 7.8049 9.3190 9.3190 9.3190 9.3190 9.6789 9.6789 9.6789 9.6789 12.7232 12.7232 12.7232 12.7232 12.7268 12.7268 12.7268 12.7268 13.3710 13.3710 13.3710 13.3710 k = 0.0319 0.0184 0.3051 ( 6696 PWs) bands (ev): -44.7019 -44.7019 -44.7019 -44.7019 -21.4540 -21.4540 -21.4540 -21.4540 -20.8288 -20.8288 -20.8288 -20.8288 -20.7710 -20.7710 -20.7710 -20.7710 -0.9721 -0.9721 -0.9721 -0.9721 7.8075 7.8075 7.8075 7.8075 9.3059 9.3059 9.3059 9.3059 9.6667 9.6667 9.6667 9.6667 12.7198 12.7198 12.7198 12.7198 12.7241 12.7241 12.7241 12.7241 13.3620 13.3620 13.3620 13.3620 k = 0.0426 0.0246 0.3051 ( 6702 PWs) bands (ev): -44.7018 -44.7018 -44.7018 -44.7018 -21.4541 -21.4541 -21.4541 -21.4541 -20.8289 -20.8289 -20.8289 -20.8289 -20.7712 -20.7712 -20.7712 -20.7712 -0.9655 -0.9655 -0.9655 -0.9655 7.8110 7.8110 7.8110 7.8110 9.2869 9.2869 9.2869 9.2869 9.6507 9.6507 9.6507 9.6507 12.7147 12.7147 12.7147 12.7147 12.7206 12.7206 12.7206 12.7206 13.3502 13.3502 13.3502 13.3502 k = 0.0532 0.0307 0.3051 ( 6706 PWs) bands (ev): -44.7018 -44.7018 -44.7018 -44.7018 -21.4542 -21.4542 -21.4542 -21.4542 -20.8289 -20.8289 -20.8289 -20.8289 -20.7714 -20.7714 -20.7714 -20.7714 -0.9571 -0.9571 -0.9571 -0.9571 7.8156 7.8156 7.8156 7.8156 9.2612 9.2612 9.2612 9.2612 9.6320 9.6320 9.6320 9.6320 12.7075 12.7075 12.7075 12.7075 12.7167 12.7167 12.7167 12.7167 13.3362 13.3362 13.3362 13.3362 k = 0.0638 0.0369 0.3051 ( 6714 PWs) bands (ev): -44.7018 -44.7018 -44.7018 -44.7018 -21.4543 -21.4543 -21.4543 -21.4543 -20.8290 -20.8290 -20.8290 -20.8290 -20.7717 -20.7717 -20.7717 -20.7717 -0.9469 -0.9469 -0.9469 -0.9469 7.8210 7.8210 7.8210 7.8210 9.2283 9.2283 9.2283 9.2283 9.6116 9.6116 9.6116 9.6116 12.6982 12.6982 12.6982 12.6982 12.7124 12.7124 12.7124 12.7124 13.3209 13.3209 13.3209 13.3209 k = 0.0745 0.0430 0.3051 ( 6704 PWs) bands (ev): -44.7017 -44.7017 -44.7017 -44.7017 -21.4544 -21.4544 -21.4544 -21.4544 -20.8290 -20.8290 -20.8290 -20.8290 -20.7721 -20.7721 -20.7721 -20.7721 -0.9348 -0.9348 -0.9348 -0.9348 7.8273 7.8273 7.8273 7.8273 9.1877 9.1877 9.1877 9.1877 9.5906 9.5906 9.5906 9.5906 12.6865 12.6865 12.6865 12.6865 12.7078 12.7078 12.7078 12.7078 13.3051 13.3051 13.3051 13.3051 k = 0.0851 0.0491 0.3051 ( 6702 PWs) bands (ev): -44.7017 -44.7017 -44.7017 -44.7017 -21.4546 -21.4546 -21.4546 -21.4546 -20.8291 -20.8291 -20.8291 -20.8291 -20.7725 -20.7725 -20.7725 -20.7725 -0.9210 -0.9210 -0.9210 -0.9210 7.8343 7.8343 7.8343 7.8343 9.1393 9.1393 9.1393 9.1393 9.5696 9.5696 9.5696 9.5696 12.6722 12.6722 12.6722 12.6722 12.7032 12.7032 12.7032 12.7032 13.2897 13.2897 13.2897 13.2897 k = 0.0957 0.0553 0.3051 ( 6710 PWs) bands (ev): -44.7016 -44.7016 -44.7016 -44.7016 -21.4548 -21.4548 -21.4548 -21.4548 -20.8292 -20.8292 -20.8292 -20.8292 -20.7729 -20.7729 -20.7729 -20.7729 -0.9054 -0.9054 -0.9054 -0.9054 7.8419 7.8419 7.8419 7.8419 9.0834 9.0834 9.0834 9.0834 9.5492 9.5492 9.5492 9.5492 12.6551 12.6551 12.6551 12.6551 12.6988 12.6988 12.6988 12.6988 13.2756 13.2756 13.2756 13.2756 k = 0.1064 0.0614 0.3051 ( 6698 PWs) bands (ev): -44.7016 -44.7016 -44.7016 -44.7016 -21.4550 -21.4550 -21.4550 -21.4550 -20.8293 -20.8293 -20.8293 -20.8293 -20.7734 -20.7734 -20.7734 -20.7734 -0.8881 -0.8881 -0.8881 -0.8881 7.8500 7.8500 7.8500 7.8500 9.0203 9.0203 9.0203 9.0203 9.5296 9.5296 9.5296 9.5296 12.6351 12.6351 12.6351 12.6351 12.6947 12.6947 12.6947 12.6947 13.2634 13.2634 13.2634 13.2634 k = 0.1170 0.0676 0.3051 ( 6694 PWs) bands (ev): -44.7015 -44.7015 -44.7015 -44.7015 -21.4552 -21.4552 -21.4552 -21.4552 -20.8295 -20.8295 -20.8295 -20.8295 -20.7740 -20.7740 -20.7740 -20.7740 -0.8692 -0.8692 -0.8692 -0.8692 7.8583 7.8583 7.8583 7.8583 8.9510 8.9510 8.9510 8.9510 9.5107 9.5107 9.5107 9.5107 12.6119 12.6119 12.6119 12.6119 12.6911 12.6911 12.6911 12.6911 13.2539 13.2539 13.2539 13.2539 k = 0.1277 0.0737 0.3051 ( 6694 PWs) bands (ev): -44.7015 -44.7015 -44.7015 -44.7015 -21.4555 -21.4555 -21.4555 -21.4555 -20.8296 -20.8296 -20.8296 -20.8296 -20.7746 -20.7746 -20.7746 -20.7746 -0.8486 -0.8486 -0.8486 -0.8486 7.8667 7.8667 7.8667 7.8667 8.8765 8.8765 8.8765 8.8765 9.4924 9.4924 9.4924 9.4924 12.5858 12.5858 12.5858 12.5858 12.6883 12.6883 12.6883 12.6883 13.2474 13.2474 13.2474 13.2474 k = 0.1383 0.0798 0.3051 ( 6682 PWs) bands (ev): -44.7014 -44.7014 -44.7014 -44.7014 -21.4558 -21.4558 -21.4558 -21.4558 -20.8297 -20.8297 -20.8297 -20.8297 -20.7752 -20.7752 -20.7752 -20.7752 -0.8264 -0.8264 -0.8264 -0.8264 7.8747 7.8747 7.8747 7.8747 8.7977 8.7977 8.7977 8.7977 9.4745 9.4745 9.4745 9.4745 12.5568 12.5568 12.5568 12.5568 12.6865 12.6865 12.6865 12.6865 13.2442 13.2442 13.2442 13.2442 k = 0.1489 0.0860 0.3051 ( 6674 PWs) bands (ev): -44.7013 -44.7013 -44.7013 -44.7013 -21.4561 -21.4561 -21.4561 -21.4561 -20.8299 -20.8299 -20.8299 -20.8299 -20.7758 -20.7758 -20.7758 -20.7758 -0.8028 -0.8028 -0.8028 -0.8028 7.8818 7.8818 7.8818 7.8818 8.7161 8.7161 8.7161 8.7161 9.4569 9.4569 9.4569 9.4569 12.5254 12.5254 12.5254 12.5254 12.6857 12.6857 12.6857 12.6857 13.2443 13.2443 13.2443 13.2443 k = 0.1596 0.0921 0.3051 ( 6686 PWs) bands (ev): -44.7012 -44.7012 -44.7012 -44.7012 -21.4564 -21.4564 -21.4564 -21.4564 -20.8301 -20.8301 -20.8301 -20.8301 -20.7765 -20.7765 -20.7765 -20.7765 -0.7777 -0.7777 -0.7777 -0.7777 7.8872 7.8872 7.8872 7.8872 8.6329 8.6329 8.6329 8.6329 9.4394 9.4394 9.4394 9.4394 12.4919 12.4919 12.4919 12.4919 12.6862 12.6862 12.6862 12.6862 13.2478 13.2478 13.2478 13.2478 k = 0.1702 0.0983 0.3051 ( 6678 PWs) bands (ev): -44.7012 -44.7012 -44.7012 -44.7012 -21.4567 -21.4567 -21.4567 -21.4567 -20.8303 -20.8303 -20.8303 -20.8303 -20.7772 -20.7772 -20.7772 -20.7772 -0.7513 -0.7513 -0.7513 -0.7513 7.8898 7.8898 7.8898 7.8898 8.5500 8.5500 8.5500 8.5500 9.4220 9.4220 9.4220 9.4220 12.4567 12.4567 12.4567 12.4567 12.6881 12.6881 12.6881 12.6881 13.2544 13.2544 13.2544 13.2544 k = 0.1809 0.1044 0.3051 ( 6682 PWs) bands (ev): -44.7011 -44.7011 -44.7011 -44.7011 -21.4570 -21.4570 -21.4570 -21.4570 -20.8305 -20.8305 -20.8305 -20.8305 -20.7779 -20.7779 -20.7779 -20.7779 -0.7235 -0.7235 -0.7235 -0.7235 7.8878 7.8878 7.8878 7.8878 8.4697 8.4697 8.4697 8.4697 9.4046 9.4046 9.4046 9.4046 12.4203 12.4203 12.4203 12.4203 12.6914 12.6914 12.6914 12.6914 13.2640 13.2640 13.2640 13.2640 k = 0.1915 0.1106 0.3051 ( 6670 PWs) bands (ev): -44.7010 -44.7010 -44.7010 -44.7010 -21.4573 -21.4573 -21.4573 -21.4573 -20.8307 -20.8307 -20.8307 -20.8307 -20.7786 -20.7786 -20.7786 -20.7786 -0.6945 -0.6945 -0.6945 -0.6945 7.8786 7.8786 7.8786 7.8786 8.3951 8.3951 8.3951 8.3951 9.3871 9.3871 9.3871 9.3871 12.3834 12.3834 12.3834 12.3834 12.6964 12.6964 12.6964 12.6964 13.2763 13.2763 13.2763 13.2763 k = 0.2021 0.1167 0.3051 ( 6666 PWs) bands (ev): -44.7009 -44.7009 -44.7009 -44.7009 -21.4577 -21.4577 -21.4577 -21.4577 -20.8309 -20.8309 -20.8309 -20.8309 -20.7794 -20.7794 -20.7794 -20.7794 -0.6644 -0.6644 -0.6644 -0.6644 7.8587 7.8587 7.8587 7.8587 8.3302 8.3302 8.3302 8.3302 9.3695 9.3695 9.3695 9.3695 12.3462 12.3462 12.3462 12.3462 12.7029 12.7029 12.7029 12.7029 13.2911 13.2911 13.2911 13.2911 k = 0.2128 0.1228 0.3051 ( 6676 PWs) bands (ev): -44.7008 -44.7008 -44.7008 -44.7008 -21.4580 -21.4580 -21.4580 -21.4580 -20.8311 -20.8311 -20.8311 -20.8311 -20.7801 -20.7801 -20.7801 -20.7801 -0.6333 -0.6333 -0.6333 -0.6333 7.8245 7.8245 7.8245 7.8245 8.2790 8.2790 8.2790 8.2790 9.3519 9.3519 9.3519 9.3519 12.3092 12.3092 12.3092 12.3092 12.7112 12.7112 12.7112 12.7112 13.3080 13.3080 13.3080 13.3080 k = 0.2234 0.1290 0.3051 ( 6672 PWs) bands (ev): -44.7007 -44.7007 -44.7007 -44.7007 -21.4584 -21.4584 -21.4584 -21.4584 -20.8313 -20.8313 -20.8313 -20.8313 -20.7809 -20.7809 -20.7809 -20.7809 -0.6012 -0.6012 -0.6012 -0.6012 7.7742 7.7742 7.7742 7.7742 8.2436 8.2436 8.2436 8.2436 9.3343 9.3343 9.3343 9.3343 12.2729 12.2729 12.2729 12.2729 12.7211 12.7211 12.7211 12.7211 13.3268 13.3268 13.3268 13.3268 k = 0.2340 0.1351 0.3051 ( 6684 PWs) bands (ev): -44.7006 -44.7006 -44.7006 -44.7006 -21.4588 -21.4588 -21.4588 -21.4588 -20.8316 -20.8316 -20.8316 -20.8316 -20.7816 -20.7816 -20.7816 -20.7816 -0.5683 -0.5683 -0.5683 -0.5683 7.7092 7.7092 7.7092 7.7092 8.2229 8.2229 8.2229 8.2229 9.3166 9.3166 9.3166 9.3166 12.2375 12.2375 12.2375 12.2375 12.7327 12.7327 12.7327 12.7327 13.3472 13.3472 13.3472 13.3472 k = 0.2447 0.1413 0.3051 ( 6680 PWs) bands (ev): -44.7005 -44.7005 -44.7005 -44.7005 -21.4592 -21.4592 -21.4592 -21.4592 -20.8318 -20.8318 -20.8318 -20.8318 -20.7824 -20.7824 -20.7824 -20.7824 -0.5347 -0.5347 -0.5347 -0.5347 7.6333 7.6333 7.6333 7.6333 8.2136 8.2136 8.2136 8.2136 9.2990 9.2990 9.2990 9.2990 12.2035 12.2035 12.2035 12.2035 12.7460 12.7460 12.7460 12.7460 13.3691 13.3691 13.3691 13.3691 k = 0.2553 0.1474 0.3051 ( 6680 PWs) bands (ev): -44.7004 -44.7004 -44.7004 -44.7004 -21.4595 -21.4595 -21.4595 -21.4595 -20.8321 -20.8321 -20.8321 -20.8321 -20.7831 -20.7831 -20.7831 -20.7831 -0.5005 -0.5005 -0.5005 -0.5005 7.5500 7.5500 7.5500 7.5500 8.2122 8.2122 8.2122 8.2122 9.2816 9.2816 9.2816 9.2816 12.1710 12.1710 12.1710 12.1710 12.7609 12.7609 12.7609 12.7609 13.3920 13.3920 13.3920 13.3920 k = 0.2660 0.1536 0.3051 ( 6672 PWs) bands (ev): -44.7003 -44.7003 -44.7003 -44.7003 -21.4599 -21.4599 -21.4599 -21.4599 -20.8324 -20.8324 -20.8324 -20.8324 -20.7839 -20.7839 -20.7839 -20.7839 -0.4659 -0.4659 -0.4659 -0.4659 7.4626 7.4626 7.4626 7.4626 8.2161 8.2161 8.2161 8.2161 9.2643 9.2643 9.2643 9.2643 12.1404 12.1404 12.1404 12.1404 12.7774 12.7774 12.7774 12.7774 13.4157 13.4157 13.4157 13.4157 k = 0.2766 0.1597 0.3051 ( 6676 PWs) bands (ev): -44.7003 -44.7003 -44.7003 -44.7003 -21.4603 -21.4603 -21.4603 -21.4603 -20.8326 -20.8326 -20.8326 -20.8326 -20.7846 -20.7846 -20.7846 -20.7846 -0.4310 -0.4310 -0.4310 -0.4310 7.3730 7.3730 7.3730 7.3730 8.2232 8.2232 8.2232 8.2232 9.2473 9.2473 9.2473 9.2473 12.1118 12.1118 12.1118 12.1118 12.7953 12.7953 12.7953 12.7953 13.4399 13.4399 13.4399 13.4399 k = 0.2872 0.1658 0.3051 ( 6676 PWs) bands (ev): -44.7002 -44.7002 -44.7002 -44.7002 -21.4607 -21.4607 -21.4607 -21.4607 -20.8329 -20.8329 -20.8329 -20.8329 -20.7853 -20.7853 -20.7853 -20.7853 -0.3959 -0.3959 -0.3959 -0.3959 7.2828 7.2828 7.2828 7.2828 8.2325 8.2325 8.2325 8.2325 9.2306 9.2306 9.2306 9.2306 12.0854 12.0854 12.0854 12.0854 12.8146 12.8146 12.8146 12.8146 13.4643 13.4643 13.4643 13.4643 k = 0.2979 0.1720 0.3051 ( 6664 PWs) bands (ev): -44.7001 -44.7001 -44.7001 -44.7001 -21.4610 -21.4610 -21.4610 -21.4610 -20.8332 -20.8332 -20.8332 -20.8332 -20.7860 -20.7860 -20.7860 -20.7860 -0.3608 -0.3608 -0.3608 -0.3608 7.1930 7.1930 7.1930 7.1930 8.2431 8.2431 8.2431 8.2431 9.2143 9.2143 9.2143 9.2143 12.0613 12.0613 12.0613 12.0613 12.8352 12.8352 12.8352 12.8352 13.4885 13.4885 13.4885 13.4885 k = 0.3085 0.1781 0.3051 ( 6664 PWs) bands (ev): -44.7000 -44.7000 -44.7000 -44.7000 -21.4614 -21.4614 -21.4614 -21.4614 -20.8335 -20.8335 -20.8335 -20.8335 -20.7866 -20.7866 -20.7866 -20.7866 -0.3259 -0.3259 -0.3259 -0.3259 7.1044 7.1044 7.1044 7.1044 8.2544 8.2544 8.2544 8.2544 9.1985 9.1985 9.1985 9.1985 12.0396 12.0396 12.0396 12.0396 12.8569 12.8569 12.8569 12.8569 13.5122 13.5122 13.5122 13.5122 k = 0.3191 0.1843 0.3051 ( 6654 PWs) bands (ev): -44.6999 -44.6999 -44.6999 -44.6999 -21.4618 -21.4618 -21.4618 -21.4618 -20.8338 -20.8338 -20.8338 -20.8338 -20.7872 -20.7872 -20.7872 -20.7872 -0.2913 -0.2913 -0.2913 -0.2913 7.0177 7.0177 7.0177 7.0177 8.2659 8.2659 8.2659 8.2659 9.1832 9.1832 9.1832 9.1832 12.0204 12.0204 12.0204 12.0204 12.8795 12.8795 12.8795 12.8795 13.5351 13.5351 13.5351 13.5351 k = 0.3298 0.1904 0.3051 ( 6656 PWs) bands (ev): -44.6998 -44.6998 -44.6998 -44.6998 -21.4621 -21.4621 -21.4621 -21.4621 -20.8340 -20.8340 -20.8340 -20.8340 -20.7878 -20.7878 -20.7878 -20.7878 -0.2572 -0.2572 -0.2572 -0.2572 6.9335 6.9335 6.9335 6.9335 8.2775 8.2775 8.2775 8.2775 9.1684 9.1684 9.1684 9.1684 12.0037 12.0037 12.0037 12.0037 12.9030 12.9030 12.9030 12.9030 13.5566 13.5566 13.5566 13.5566 k = 0.3404 0.1965 0.3051 ( 6644 PWs) bands (ev): -44.6997 -44.6997 -44.6997 -44.6997 -21.4624 -21.4624 -21.4624 -21.4624 -20.8343 -20.8343 -20.8343 -20.8343 -20.7884 -20.7884 -20.7884 -20.7884 -0.2238 -0.2238 -0.2238 -0.2238 6.8521 6.8521 6.8521 6.8521 8.2888 8.2888 8.2888 8.2888 9.1544 9.1544 9.1544 9.1544 11.9894 11.9894 11.9894 11.9894 12.9271 12.9271 12.9271 12.9271 13.5765 13.5765 13.5765 13.5765 k = 0.3511 0.2027 0.3051 ( 6640 PWs) bands (ev): -44.6997 -44.6997 -44.6997 -44.6997 -21.4628 -21.4628 -21.4628 -21.4628 -20.8346 -20.8346 -20.8346 -20.8346 -20.7889 -20.7889 -20.7889 -20.7889 -0.1912 -0.1912 -0.1912 -0.1912 6.7740 6.7740 6.7740 6.7740 8.2998 8.2998 8.2998 8.2998 9.1410 9.1410 9.1410 9.1410 11.9775 11.9775 11.9775 11.9775 12.9516 12.9516 12.9516 12.9516 13.5942 13.5942 13.5942 13.5942 k = 0.3617 0.2088 0.3051 ( 6632 PWs) bands (ev): -44.6996 -44.6996 -44.6996 -44.6996 -21.4631 -21.4631 -21.4631 -21.4631 -20.8349 -20.8349 -20.8349 -20.8349 -20.7895 -20.7895 -20.7895 -20.7895 -0.1598 -0.1598 -0.1598 -0.1598 6.6995 6.6995 6.6995 6.6995 8.3102 8.3102 8.3102 8.3102 9.1284 9.1284 9.1284 9.1284 11.9679 11.9679 11.9679 11.9679 12.9763 12.9763 12.9763 12.9763 13.6094 13.6094 13.6094 13.6094 k = 0.3723 0.2150 0.3051 ( 6636 PWs) bands (ev): -44.6995 -44.6995 -44.6995 -44.6995 -21.4634 -21.4634 -21.4634 -21.4634 -20.8351 -20.8351 -20.8351 -20.8351 -20.7899 -20.7899 -20.7899 -20.7899 -0.1296 -0.1296 -0.1296 -0.1296 6.6291 6.6291 6.6291 6.6291 8.3200 8.3200 8.3200 8.3200 9.1166 9.1166 9.1166 9.1166 11.9605 11.9605 11.9605 11.9605 13.0009 13.0009 13.0009 13.0009 13.6218 13.6218 13.6218 13.6218 k = 0.3830 0.2211 0.3051 ( 6630 PWs) bands (ev): -44.6994 -44.6994 -44.6994 -44.6994 -21.4636 -21.4636 -21.4636 -21.4636 -20.8354 -20.8354 -20.8354 -20.8354 -20.7904 -20.7904 -20.7904 -20.7904 -0.1010 -0.1010 -0.1010 -0.1010 6.5630 6.5630 6.5630 6.5630 8.3291 8.3291 8.3291 8.3291 9.1056 9.1056 9.1056 9.1056 11.9550 11.9550 11.9550 11.9550 13.0252 13.0252 13.0252 13.0252 13.6312 13.6312 13.6312 13.6312 k = 0.3936 0.2273 0.3051 ( 6626 PWs) bands (ev): -44.6994 -44.6994 -44.6994 -44.6994 -21.4639 -21.4639 -21.4639 -21.4639 -20.8356 -20.8356 -20.8356 -20.8356 -20.7908 -20.7908 -20.7908 -20.7908 -0.0739 -0.0739 -0.0739 -0.0739 6.5015 6.5015 6.5015 6.5015 8.3374 8.3374 8.3374 8.3374 9.0956 9.0956 9.0956 9.0956 11.9514 11.9514 11.9514 11.9514 13.0490 13.0490 13.0490 13.0490 13.6375 13.6375 13.6375 13.6375 k = 0.4043 0.2334 0.3051 ( 6630 PWs) bands (ev): -44.6993 -44.6993 -44.6993 -44.6993 -21.4641 -21.4641 -21.4641 -21.4641 -20.8358 -20.8358 -20.8358 -20.8358 -20.7911 -20.7911 -20.7911 -20.7911 -0.0488 -0.0488 -0.0488 -0.0488 6.4449 6.4449 6.4449 6.4449 8.3450 8.3450 8.3450 8.3450 9.0864 9.0864 9.0864 9.0864 11.9493 11.9493 11.9493 11.9493 13.0718 13.0718 13.0718 13.0718 13.6409 13.6409 13.6409 13.6409 k = 0.4149 0.2395 0.3051 ( 6642 PWs) bands (ev): -44.6993 -44.6993 -44.6993 -44.6993 -21.4643 -21.4643 -21.4643 -21.4643 -20.8360 -20.8360 -20.8360 -20.8360 -20.7915 -20.7915 -20.7915 -20.7915 -0.0257 -0.0257 -0.0257 -0.0257 6.3935 6.3935 6.3935 6.3935 8.3518 8.3518 8.3518 8.3518 9.0781 9.0781 9.0781 9.0781 11.9485 11.9485 11.9485 11.9485 13.0934 13.0934 13.0934 13.0934 13.6417 13.6417 13.6417 13.6417 k = 0.4255 0.2457 0.3051 ( 6642 PWs) bands (ev): -44.6992 -44.6992 -44.6992 -44.6992 -21.4645 -21.4645 -21.4645 -21.4645 -20.8362 -20.8362 -20.8362 -20.8362 -20.7917 -20.7917 -20.7917 -20.7917 -0.0048 -0.0048 -0.0048 -0.0048 6.3475 6.3475 6.3475 6.3475 8.3577 8.3577 8.3577 8.3577 9.0708 9.0708 9.0708 9.0708 11.9487 11.9487 11.9487 11.9487 13.1135 13.1135 13.1135 13.1135 13.6404 13.6404 13.6404 13.6404 k = 0.4362 0.2518 0.3051 ( 6638 PWs) bands (ev): -44.6992 -44.6992 -44.6992 -44.6992 -21.4647 -21.4647 -21.4647 -21.4647 -20.8364 -20.8364 -20.8364 -20.8364 -20.7920 -20.7920 -20.7920 -20.7920 0.0136 0.0136 0.0136 0.0136 6.3072 6.3072 6.3072 6.3072 8.3628 8.3628 8.3628 8.3628 9.0644 9.0644 9.0644 9.0644 11.9496 11.9496 11.9496 11.9496 13.1318 13.1318 13.1318 13.1318 13.6375 13.6375 13.6375 13.6375 k = 0.4468 0.2580 0.3051 ( 6646 PWs) bands (ev): -44.6992 -44.6992 -44.6992 -44.6992 -21.4648 -21.4648 -21.4648 -21.4648 -20.8365 -20.8365 -20.8365 -20.8365 -20.7922 -20.7922 -20.7922 -20.7922 0.0295 0.0295 0.0295 0.0295 6.2728 6.2728 6.2728 6.2728 8.3672 8.3672 8.3672 8.3672 9.0591 9.0591 9.0591 9.0591 11.9510 11.9510 11.9510 11.9510 13.1479 13.1479 13.1479 13.1479 13.6336 13.6336 13.6336 13.6336 k = 0.4574 0.2641 0.3051 ( 6638 PWs) bands (ev): -44.6991 -44.6991 -44.6991 -44.6991 -21.4650 -21.4650 -21.4650 -21.4650 -20.8366 -20.8366 -20.8366 -20.8366 -20.7924 -20.7924 -20.7924 -20.7924 0.0427 0.0427 0.0427 0.0427 6.2443 6.2443 6.2443 6.2443 8.3707 8.3707 8.3707 8.3707 9.0546 9.0546 9.0546 9.0546 11.9526 11.9526 11.9526 11.9526 13.1616 13.1616 13.1616 13.1616 13.6294 13.6294 13.6294 13.6294 k = 0.4681 0.2702 0.3051 ( 6640 PWs) bands (ev): -44.6991 -44.6991 -44.6991 -44.6991 -21.4651 -21.4651 -21.4651 -21.4651 -20.8367 -20.8367 -20.8367 -20.8367 -20.7925 -20.7925 -20.7925 -20.7925 0.0531 0.0531 0.0531 0.0531 6.2220 6.2220 6.2220 6.2220 8.3734 8.3734 8.3734 8.3734 9.0512 9.0512 9.0512 9.0512 11.9541 11.9541 11.9541 11.9541 13.1725 13.1725 13.1725 13.1725 13.6255 13.6255 13.6255 13.6255 k = 0.4787 0.2764 0.3051 ( 6642 PWs) bands (ev): -44.6991 -44.6991 -44.6991 -44.6991 -21.4651 -21.4651 -21.4651 -21.4651 -20.8368 -20.8368 -20.8368 -20.8368 -20.7926 -20.7926 -20.7926 -20.7926 0.0606 0.0606 0.0606 0.0606 6.2060 6.2060 6.2060 6.2060 8.3753 8.3753 8.3753 8.3753 9.0487 9.0487 9.0487 9.0487 11.9554 11.9554 11.9554 11.9554 13.1805 13.1805 13.1805 13.1805 13.6223 13.6223 13.6223 13.6223 k = 0.4894 0.2825 0.3051 ( 6646 PWs) bands (ev): -44.6991 -44.6991 -44.6991 -44.6991 -21.4652 -21.4652 -21.4652 -21.4652 -20.8368 -20.8368 -20.8368 -20.8368 -20.7927 -20.7927 -20.7927 -20.7927 0.0651 0.0651 0.0651 0.0651 6.1964 6.1964 6.1964 6.1964 8.3765 8.3765 8.3765 8.3765 9.0473 9.0473 9.0473 9.0473 11.9562 11.9562 11.9562 11.9562 13.1854 13.1854 13.1854 13.1854 13.6202 13.6202 13.6202 13.6202 k = 0.5000 0.2887 0.3051 ( 6640 PWs) bands (ev): -44.6991 -44.6991 -44.6991 -44.6991 -21.4652 -21.4652 -21.4652 -21.4652 -20.8368 -20.8368 -20.8368 -20.8368 -20.7927 -20.7927 -20.7927 -20.7927 0.0666 0.0666 0.0666 0.0666 6.1932 6.1932 6.1932 6.1932 8.3769 8.3769 8.3769 8.3769 9.0468 9.0468 9.0468 9.0468 11.9565 11.9565 11.9565 11.9565 13.1870 13.1870 13.1870 13.1870 13.6195 13.6195 13.6195 13.6195 k = 0.5000 0.2887 0.3051 ( 6640 PWs) bands (ev): -44.6991 -44.6991 -44.6991 -44.6991 -21.4652 -21.4652 -21.4652 -21.4652 -20.8368 -20.8368 -20.8368 -20.8368 -20.7927 -20.7927 -20.7927 -20.7927 0.0666 0.0666 0.0666 0.0666 6.1932 6.1932 6.1932 6.1932 8.3769 8.3769 8.3769 8.3769 9.0468 9.0468 9.0468 9.0468 11.9565 11.9565 11.9565 11.9565 13.1870 13.1870 13.1870 13.1870 13.6195 13.6195 13.6195 13.6195 k = 0.4940 0.2990 0.3051 ( 6646 PWs) bands (ev): -44.6991 -44.6991 -44.6991 -44.6991 -21.4654 -21.4654 -21.4650 -21.4650 -20.8370 -20.8370 -20.8366 -20.8366 -20.7931 -20.7931 -20.7923 -20.7923 0.0668 0.0668 0.0672 0.0672 6.1912 6.1912 6.1972 6.1972 8.3749 8.3749 8.3782 8.3782 9.0414 9.0414 9.0432 9.0432 11.9565 11.9565 11.9620 11.9620 13.1878 13.1878 13.1887 13.1887 13.6176 13.6176 13.6192 13.6192 k = 0.4881 0.3093 0.3051 ( 6654 PWs) bands (ev): -44.6991 -44.6991 -44.6991 -44.6991 -21.4656 -21.4656 -21.4648 -21.4648 -20.8372 -20.8372 -20.8364 -20.8364 -20.7936 -20.7936 -20.7919 -20.7919 0.0678 0.0678 0.0686 0.0686 6.1910 6.1910 6.2031 6.2031 8.3724 8.3724 8.3791 8.3791 9.0273 9.0273 9.0309 9.0309 11.9621 11.9621 11.9730 11.9730 13.1909 13.1909 13.1928 13.1928 13.6133 13.6133 13.6166 13.6166 k = 0.4821 0.3196 0.3051 ( 6658 PWs) bands (ev): -44.6991 -44.6991 -44.6991 -44.6991 -21.4658 -21.4658 -21.4646 -21.4646 -20.8374 -20.8374 -20.8361 -20.8361 -20.7941 -20.7941 -20.7916 -20.7916 0.0696 0.0696 0.0708 0.0708 6.1928 6.1928 6.2110 6.2110 8.3689 8.3689 8.3794 8.3794 9.0049 9.0049 9.0102 9.0102 11.9729 11.9729 11.9891 11.9891 13.1963 13.1963 13.1993 13.1993 13.6068 13.6068 13.6118 13.6118 k = 0.4762 0.3299 0.3051 ( 6648 PWs) bands (ev): -44.6991 -44.6991 -44.6991 -44.6991 -21.4660 -21.4660 -21.4645 -21.4645 -20.8376 -20.8376 -20.8359 -20.8359 -20.7946 -20.7946 -20.7913 -20.7913 0.0721 0.0721 0.0737 0.0737 6.1964 6.1964 6.2208 6.2208 8.3643 8.3643 8.3789 8.3789 8.9750 8.9750 8.9817 8.9817 11.9885 11.9885 12.0098 12.0098 13.2040 13.2040 13.2081 13.2081 13.5981 13.5981 13.6046 13.6046 k = 0.4702 0.3402 0.3051 ( 6652 PWs) bands (ev): -44.6991 -44.6991 -44.6991 -44.6991 -21.4662 -21.4662 -21.4643 -21.4643 -20.8377 -20.8377 -20.8356 -20.8356 -20.7951 -20.7951 -20.7911 -20.7911 0.0754 0.0754 0.0773 0.0773 6.2018 6.2018 6.2327 6.2327 8.3580 8.3580 8.3774 8.3774 8.9389 8.9389 8.9466 8.9466 12.0082 12.0082 12.0344 12.0344 13.2139 13.2139 13.2192 13.2192 13.5870 13.5870 13.5952 13.5952 k = 0.4643 0.3505 0.3051 ( 6656 PWs) bands (ev): -44.6991 -44.6991 -44.6991 -44.6991 -21.4664 -21.4664 -21.4642 -21.4642 -20.8379 -20.8379 -20.8353 -20.8353 -20.7957 -20.7957 -20.7909 -20.7909 0.0793 0.0793 0.0817 0.0817 6.2090 6.2090 6.2465 6.2465 8.3494 8.3494 8.3746 8.3746 8.8978 8.8978 8.9060 8.9060 12.0313 12.0313 12.0622 12.0622 13.2256 13.2256 13.2323 13.2323 13.5737 13.5737 13.5835 13.5835 k = 0.4583 0.3608 0.3051 ( 6660 PWs) bands (ev): -44.6990 -44.6990 -44.6990 -44.6990 -21.4666 -21.4666 -21.4640 -21.4640 -20.8380 -20.8380 -20.8350 -20.8350 -20.7963 -20.7963 -20.7907 -20.7907 0.0840 0.0840 0.0867 0.0867 6.2178 6.2178 6.2623 6.2623 8.3375 8.3375 8.3697 8.3697 8.8535 8.8535 8.8613 8.8613 12.0571 12.0571 12.0924 12.0924 13.2391 13.2391 13.2473 13.2473 13.5582 13.5582 13.5696 13.5696 k = 0.4524 0.3712 0.3051 ( 6660 PWs) bands (ev): -44.6990 -44.6990 -44.6990 -44.6990 -21.4668 -21.4668 -21.4639 -21.4639 -20.8382 -20.8382 -20.8347 -20.8347 -20.7970 -20.7970 -20.7905 -20.7905 0.0893 0.0893 0.0924 0.0924 6.2283 6.2283 6.2801 6.2801 8.3210 8.3210 8.3620 8.3620 8.8081 8.8081 8.8143 8.8143 12.0849 12.0849 12.1242 12.1242 13.2537 13.2537 13.2637 13.2637 13.5407 13.5407 13.5537 13.5537 k = 0.4464 0.3815 0.3051 ( 6664 PWs) bands (ev): -44.6990 -44.6990 -44.6990 -44.6990 -21.4671 -21.4671 -21.4638 -21.4638 -20.8383 -20.8383 -20.8344 -20.8344 -20.7976 -20.7976 -20.7904 -20.7904 0.0951 0.0951 0.0987 0.0987 6.2404 6.2404 6.2998 6.2998 8.2985 8.2985 8.3501 8.3501 8.7639 8.7639 8.7673 8.7673 12.1140 12.1140 12.1571 12.1571 13.2690 13.2690 13.2811 13.2811 13.5214 13.5214 13.5361 13.5361 k = 0.4405 0.3918 0.3051 ( 6664 PWs) bands (ev): -44.6990 -44.6990 -44.6990 -44.6990 -21.4673 -21.4673 -21.4637 -21.4637 -20.8384 -20.8384 -20.8341 -20.8341 -20.7983 -20.7983 -20.7903 -20.7903 0.1016 0.1016 0.1054 0.1054 6.2539 6.2539 6.3215 6.3215 8.2685 8.2685 8.3324 8.3324 8.7225 8.7225 8.7234 8.7234 12.1439 12.1439 12.1904 12.1904 13.2840 13.2840 13.2987 13.2987 13.5007 13.5007 13.5174 13.5174 k = 0.4345 0.4021 0.3051 ( 6656 PWs) bands (ev): -44.6990 -44.6990 -44.6990 -44.6990 -21.4675 -21.4675 -21.4636 -21.4636 -20.8385 -20.8385 -20.8338 -20.8338 -20.7989 -20.7989 -20.7903 -20.7902 0.1084 0.1084 0.1127 0.1127 6.2687 6.2687 6.3451 6.3451 8.2296 8.2296 8.3074 8.3074 8.6826 8.6826 8.6884 8.6884 12.1740 12.1740 12.2236 12.2236 13.2976 13.2976 13.3151 13.3151 13.4798 13.4798 13.4984 13.4984 k = 0.4286 0.4124 0.3051 ( 6660 PWs) bands (ev): -44.6990 -44.6990 -44.6990 -44.6990 -21.4677 -21.4677 -21.4635 -21.4635 -20.8386 -20.8386 -20.8335 -20.8335 -20.7996 -20.7996 -20.7902 -20.7902 0.1157 0.1157 0.1203 0.1203 6.2848 6.2848 6.3706 6.3706 8.1815 8.1815 8.2737 8.2737 8.6496 8.6496 8.6601 8.6601 12.2042 12.2042 12.2565 12.2565 13.3078 13.3078 13.3282 13.3282 13.4604 13.4604 13.4807 13.4807 k = 0.4226 0.4227 0.3051 ( 6660 PWs) bands (ev): -44.6990 -44.6990 -44.6989 -44.6989 -21.4679 -21.4679 -21.4634 -21.4634 -20.8387 -20.8387 -20.8332 -20.8332 -20.8003 -20.8003 -20.7902 -20.7902 0.1234 0.1234 0.1283 0.1283 6.3020 6.3020 6.3980 6.3980 8.1250 8.1250 8.2314 8.2314 8.6242 8.6242 8.6384 8.6384 12.2340 12.2340 12.2887 12.2887 13.3120 13.3120 13.3339 13.3339 13.4462 13.4462 13.4667 13.4667 k = 0.4167 0.4330 0.3051 ( 6656 PWs) bands (ev): -44.6989 -44.6989 -44.6989 -44.6989 -21.4681 -21.4681 -21.4633 -21.4633 -20.8387 -20.8387 -20.8328 -20.8328 -20.8009 -20.8009 -20.7902 -20.7902 0.1313 0.1313 0.1365 0.1365 6.3201 6.3201 6.4272 6.4272 8.0614 8.0614 8.1815 8.1815 8.6061 8.6061 8.6227 8.6227 12.2635 12.2635 12.3203 12.3203 13.3077 13.3077 13.3277 13.3277 13.4415 13.4415 13.4586 13.4586 k = 0.4107 0.4433 0.3051 ( 6652 PWs) bands (ev): -44.6989 -44.6989 -44.6989 -44.6989 -21.4683 -21.4683 -21.4633 -21.4633 -20.8388 -20.8388 -20.8325 -20.8325 -20.8016 -20.8016 -20.7902 -20.7902 0.1393 0.1393 0.1449 0.1449 6.3390 6.3390 6.4582 6.4582 7.9924 7.9924 8.1261 8.1261 8.5939 8.5939 8.6117 8.6117 12.2925 12.2925 12.3512 12.3512 13.2938 13.2938 13.3096 13.3096 13.4459 13.4459 13.4572 13.4572 k = 0.4048 0.4536 0.3051 ( 6656 PWs) bands (ev): -44.6989 -44.6989 -44.6989 -44.6989 -21.4685 -21.4685 -21.4632 -21.4632 -20.8389 -20.8389 -20.8322 -20.8322 -20.8023 -20.8023 -20.7902 -20.7902 0.1475 0.1475 0.1534 0.1534 6.3584 6.3584 6.4909 6.4909 7.9196 7.9196 8.0674 8.0674 8.5862 8.5862 8.6043 8.6043 12.3211 12.3211 12.3814 12.3814 13.2721 13.2721 13.2838 13.2838 13.4551 13.4551 13.4608 13.4608 k = 0.3988 0.4639 0.3051 ( 6648 PWs) bands (ev): -44.6989 -44.6989 -44.6989 -44.6989 -21.4687 -21.4687 -21.4632 -21.4632 -20.8389 -20.8389 -20.8319 -20.8319 -20.8029 -20.8029 -20.7903 -20.7903 0.1556 0.1556 0.1618 0.1618 6.3780 6.3780 6.5253 6.5253 7.8446 7.8446 8.0073 8.0073 8.5818 8.5818 8.5996 8.5996 12.3494 12.3494 12.4112 12.4112 13.2451 13.2451 13.2536 13.2536 13.4657 13.4657 13.4669 13.4669 k = 0.3929 0.4743 0.3051 ( 6644 PWs) bands (ev): -44.6989 -44.6989 -44.6988 -44.6988 -21.4688 -21.4688 -21.4632 -21.4632 -20.8390 -20.8390 -20.8316 -20.8316 -20.8035 -20.8035 -20.7903 -20.7903 0.1636 0.1636 0.1701 0.1701 6.3976 6.3976 6.5612 6.5612 7.7686 7.7686 7.9475 7.9475 8.5795 8.5795 8.5969 8.5969 12.3774 12.3774 12.4406 12.4406 13.2147 13.2147 13.2209 13.2209 13.4737 13.4737 13.4758 13.4758 k = 0.3869 0.4846 0.3051 ( 6644 PWs) bands (ev): -44.6988 -44.6988 -44.6988 -44.6988 -21.4690 -21.4690 -21.4631 -21.4631 -20.8390 -20.8390 -20.8314 -20.8314 -20.8041 -20.8041 -20.7904 -20.7904 0.1714 0.1714 0.1782 0.1782 6.4169 6.4169 6.5984 6.5984 7.6926 7.6926 7.8893 7.8893 8.5788 8.5788 8.5956 8.5956 12.4053 12.4053 12.4698 12.4698 13.1822 13.1822 13.1868 13.1868 13.4802 13.4802 13.4847 13.4847 k = 0.3810 0.4949 0.3051 ( 6636 PWs) bands (ev): -44.6988 -44.6988 -44.6988 -44.6988 -21.4691 -21.4691 -21.4631 -21.4631 -20.8391 -20.8391 -20.8311 -20.8311 -20.8046 -20.8046 -20.7904 -20.7904 0.1789 0.1789 0.1859 0.1859 6.4354 6.4354 6.6370 6.6370 7.6176 7.6176 7.8340 7.8340 8.5790 8.5790 8.5952 8.5952 12.4331 12.4331 12.4990 12.4990 13.1486 13.1486 13.1517 13.1517 13.4859 13.4859 13.4922 13.4922 k = 0.3750 0.5052 0.3051 ( 6624 PWs) bands (ev): -44.6988 -44.6988 -44.6988 -44.6988 -21.4693 -21.4693 -21.4631 -21.4631 -20.8391 -20.8391 -20.8309 -20.8309 -20.8051 -20.8051 -20.7905 -20.7905 0.1859 0.1859 0.1931 0.1931 6.4528 6.4528 6.6765 6.6765 7.5444 7.5444 7.7827 7.7827 8.5799 8.5799 8.5955 8.5955 12.4608 12.4608 12.5283 12.5283 13.1145 13.1145 13.1161 13.1161 13.4905 13.4905 13.4982 13.4982 k = 0.3690 0.5155 0.3051 ( 6624 PWs) bands (ev): -44.6988 -44.6988 -44.6988 -44.6988 -21.4694 -21.4694 -21.4631 -21.4631 -20.8392 -20.8392 -20.8307 -20.8307 -20.8055 -20.8055 -20.7906 -20.7906 0.1924 0.1924 0.1998 0.1998 6.4687 6.4687 6.7166 6.7166 7.4739 7.4739 7.7363 7.7363 8.5811 8.5811 8.5962 8.5962 12.4882 12.4882 12.5576 12.5576 13.0804 13.0804 13.0805 13.0805 13.4942 13.4942 13.5028 13.5028 k = 0.3631 0.5258 0.3051 ( 6624 PWs) bands (ev): -44.6988 -44.6988 -44.6988 -44.6988 -21.4695 -21.4695 -21.4631 -21.4631 -20.8392 -20.8392 -20.8305 -20.8305 -20.8059 -20.8059 -20.7906 -20.7906 0.1982 0.1982 0.2058 0.2058 6.4826 6.4826 6.7568 6.7568 7.4072 7.4072 7.6956 7.6956 8.5825 8.5825 8.5971 8.5971 12.5150 12.5150 12.5869 12.5869 13.0451 13.0451 13.0474 13.0474 13.4969 13.4969 13.5062 13.5062 k = 0.3571 0.5361 0.3051 ( 6624 PWs) bands (ev): -44.6988 -44.6988 -44.6987 -44.6987 -21.4696 -21.4696 -21.4631 -21.4631 -20.8392 -20.8392 -20.8303 -20.8303 -20.8062 -20.8062 -20.7907 -20.7907 0.2032 0.2032 0.2109 0.2109 6.4942 6.4942 6.7961 6.7961 7.3455 7.3455 7.6615 7.6615 8.5838 8.5838 8.5980 8.5980 12.5406 12.5406 12.6157 12.6157 13.0109 13.0109 13.0162 13.0162 13.4989 13.4989 13.5086 13.5086 k = 0.3512 0.5464 0.3051 ( 6608 PWs) bands (ev): -44.6988 -44.6988 -44.6987 -44.6987 -21.4696 -21.4696 -21.4631 -21.4631 -20.8393 -20.8393 -20.8302 -20.8302 -20.8064 -20.8064 -20.7907 -20.7907 0.2073 0.2073 0.2151 0.2151 6.5032 6.5032 6.8330 6.8330 7.2908 7.2908 7.6345 7.6345 8.5849 8.5850 8.5988 8.5988 12.5640 12.5640 12.6430 12.6430 12.9791 12.9791 12.9881 12.9881 13.5002 13.5002 13.5102 13.5102 k = 0.3452 0.5567 0.3051 ( 6604 PWs) bands (ev): -44.6988 -44.6988 -44.6987 -44.6987 -21.4697 -21.4697 -21.4631 -21.4631 -20.8393 -20.8393 -20.8301 -20.8301 -20.8066 -20.8066 -20.7907 -20.7907 0.2104 0.2104 0.2183 0.2183 6.5095 6.5095 6.8647 6.8647 7.2460 7.2460 7.6152 7.6152 8.5859 8.5859 8.5995 8.5995 12.5836 12.5836 12.6672 12.6672 12.9515 12.9515 12.9651 12.9651 13.5010 13.5010 13.5111 13.5111 k = 0.3393 0.5670 0.3051 ( 6590 PWs) bands (ev): -44.6988 -44.6988 -44.6987 -44.6987 -21.4697 -21.4697 -21.4631 -21.4631 -20.8393 -20.8393 -20.8301 -20.8301 -20.8067 -20.8067 -20.7908 -20.7908 0.2123 0.2123 0.2202 0.2202 6.5130 6.5130 6.8870 6.8870 7.2157 7.2157 7.6036 7.6036 8.5864 8.5864 8.6000 8.6000 12.5970 12.5970 12.6848 12.6848 12.9317 12.9317 12.9495 12.9495 13.5013 13.5013 13.5116 13.5116 k = 0.3333 0.5774 0.3051 ( 6594 PWs) bands (ev): -44.6988 -44.6988 -44.6987 -44.6987 -21.4697 -21.4697 -21.4631 -21.4631 -20.8393 -20.8393 -20.8301 -20.8301 -20.8068 -20.8068 -20.7908 -20.7908 0.2130 0.2130 0.2209 0.2209 6.5141 6.5141 6.8951 6.8951 7.2049 7.2049 7.5998 7.5998 8.5866 8.5866 8.6001 8.6001 12.6018 12.6018 12.6916 12.6916 12.9242 12.9242 12.9438 12.9438 13.5014 13.5014 13.5117 13.5117 k = 0.3333 0.5774 0.3051 ( 6594 PWs) bands (ev): -44.6988 -44.6988 -44.6987 -44.6987 -21.4697 -21.4697 -21.4631 -21.4631 -20.8393 -20.8393 -20.8301 -20.8301 -20.8068 -20.8068 -20.7908 -20.7908 0.2130 0.2130 0.2209 0.2209 6.5141 6.5141 6.8951 6.8951 7.2049 7.2049 7.5998 7.5998 8.5866 8.5866 8.6001 8.6001 12.6018 12.6018 12.6916 12.6916 12.9242 12.9242 12.9438 12.9438 13.5014 13.5014 13.5117 13.5117 k = 0.3273 0.5669 0.3051 ( 6594 PWs) bands (ev): -44.6988 -44.6988 -44.6987 -44.6987 -21.4697 -21.4697 -21.4631 -21.4631 -20.8393 -20.8393 -20.8301 -20.8301 -20.8067 -20.8067 -20.7908 -20.7908 0.2122 0.2122 0.2202 0.2202 6.5132 6.5132 6.8873 6.8873 7.2156 7.2156 7.6036 7.6036 8.5864 8.5864 8.5999 8.5999 12.5966 12.5966 12.6843 12.6843 12.9323 12.9323 12.9499 12.9499 13.5014 13.5014 13.5116 13.5116 k = 0.3212 0.5564 0.3051 ( 6602 PWs) bands (ev): -44.6988 -44.6988 -44.6987 -44.6987 -21.4697 -21.4697 -21.4631 -21.4631 -20.8393 -20.8393 -20.8301 -20.8301 -20.8066 -20.8066 -20.7907 -20.7907 0.2100 0.2100 0.2179 0.2179 6.5107 6.5107 6.8675 6.8675 7.2440 7.2440 7.6147 7.6147 8.5858 8.5858 8.5994 8.5994 12.5814 12.5814 12.6644 12.6644 12.9546 12.9546 12.9675 12.9675 13.5012 13.5012 13.5114 13.5114 k = 0.3152 0.5459 0.3051 ( 6614 PWs) bands (ev): -44.6988 -44.6988 -44.6987 -44.6987 -21.4696 -21.4696 -21.4631 -21.4631 -20.8392 -20.8392 -20.8302 -20.8302 -20.8064 -20.8064 -20.7907 -20.7907 0.2061 0.2061 0.2139 0.2139 6.5076 6.5076 6.8419 6.8419 7.2841 7.2841 7.6325 7.6325 8.5847 8.5847 8.5986 8.5986 12.5584 12.5584 12.6361 12.6361 12.9869 12.9869 12.9947 12.9947 13.5010 13.5010 13.5110 13.5110 k = 0.3091 0.5354 0.3051 ( 6622 PWs) bands (ev): -44.6988 -44.6988 -44.6988 -44.6988 -21.4695 -21.4695 -21.4631 -21.4631 -20.8392 -20.8392 -20.8303 -20.8303 -20.8062 -20.8062 -20.7906 -20.7906 0.2006 0.2006 0.2083 0.2083 6.5044 6.5044 6.8152 6.8152 7.3314 7.3314 7.6563 7.6563 8.5831 8.5831 8.5973 8.5973 12.5299 12.5299 12.6030 12.6030 13.0256 13.0256 13.0289 13.0289 13.5010 13.5010 13.5107 13.5108 k = 0.3030 0.5249 0.3051 ( 6628 PWs) bands (ev): -44.6988 -44.6988 -44.6988 -44.6988 -21.4694 -21.4694 -21.4630 -21.4630 -20.8392 -20.8392 -20.8304 -20.8304 -20.8059 -20.8059 -20.7906 -20.7906 0.1933 0.1933 0.2008 0.2008 6.5021 6.5021 6.7899 6.7899 7.3832 7.3832 7.6852 7.6852 8.5813 8.5813 8.5958 8.5958 12.4979 12.4979 12.5675 12.5675 13.0681 13.0681 13.0682 13.0682 13.5012 13.5012 13.5106 13.5106 k = 0.2970 0.5144 0.3051 ( 6624 PWs) bands (ev): -44.6988 -44.6988 -44.6988 -44.6988 -21.4693 -21.4693 -21.4630 -21.4630 -20.8391 -20.8391 -20.8305 -20.8305 -20.8055 -20.8055 -20.7905 -20.7905 0.1842 0.1842 0.1915 0.1915 6.5013 6.5013 6.7678 6.7678 7.4379 7.4379 7.7187 7.7187 8.5790 8.5790 8.5940 8.5940 12.4638 12.4638 12.5307 12.5307 13.1104 13.1104 13.1131 13.1131 13.5019 13.5019 13.5107 13.5107 k = 0.2909 0.5039 0.3051 ( 6636 PWs) bands (ev): -44.6988 -44.6988 -44.6988 -44.6988 -21.4692 -21.4692 -21.4630 -21.4630 -20.8390 -20.8390 -20.8307 -20.8307 -20.8050 -20.8050 -20.7903 -20.7903 0.1732 0.1732 0.1803 0.1803 6.5028 6.5028 6.7496 6.7496 7.4946 7.4946 7.7558 7.7558 8.5766 8.5766 8.5921 8.5921 12.4286 12.4286 12.4935 12.4935 13.1543 13.1543 13.1591 13.1591 13.5035 13.5035 13.5115 13.5115 k = 0.2848 0.4934 0.3051 ( 6640 PWs) bands (ev): -44.6989 -44.6989 -44.6988 -44.6988 -21.4690 -21.4690 -21.4629 -21.4629 -20.8389 -20.8389 -20.8308 -20.8308 -20.8045 -20.8045 -20.7902 -20.7902 0.1603 0.1603 0.1672 0.1672 6.5069 6.5069 6.7359 6.7359 7.5525 7.5525 7.7960 7.7960 8.5740 8.5740 8.5900 8.5900 12.3931 12.3931 12.4564 12.4564 13.1983 13.1983 13.2048 13.2048 13.5063 13.5063 13.5132 13.5132 k = 0.2788 0.4829 0.3051 ( 6630 PWs) bands (ev): -44.6989 -44.6989 -44.6989 -44.6989 -21.4688 -21.4688 -21.4629 -21.4629 -20.8388 -20.8388 -20.8309 -20.8309 -20.8040 -20.8040 -20.7900 -20.7900 0.1455 0.1455 0.1522 0.1522 6.5143 6.5143 6.7271 6.7271 7.6112 7.6112 7.8386 7.8386 8.5714 8.5714 8.5880 8.5880 12.3578 12.3578 12.4199 12.4199 13.2406 13.2406 13.2487 13.2487 13.5113 13.5113 13.5166 13.5166 k = 0.2727 0.4724 0.3051 ( 6630 PWs) bands (ev): -44.6989 -44.6989 -44.6989 -44.6989 -21.4686 -21.4686 -21.4628 -21.4628 -20.8387 -20.8387 -20.8311 -20.8311 -20.8034 -20.8034 -20.7899 -20.7899 0.1288 0.1288 0.1352 0.1352 6.5254 6.5254 6.7234 6.7234 7.6701 7.6701 7.8829 7.8829 8.5691 8.5691 8.5862 8.5862 12.3232 12.3232 12.3843 12.3843 13.2789 13.2789 13.2888 13.2888 13.5194 13.5194 13.5227 13.5227 k = 0.2667 0.4619 0.3051 ( 6636 PWs) bands (ev): -44.6990 -44.6990 -44.6989 -44.6989 -21.4683 -21.4683 -21.4627 -21.4627 -20.8386 -20.8386 -20.8312 -20.8312 -20.8028 -20.8028 -20.7897 -20.7897 0.1103 0.1103 0.1164 0.1164 6.5403 6.5403 6.7250 6.7250 7.7289 7.7289 7.9282 7.9282 8.5673 8.5673 8.5848 8.5848 12.2897 12.2897 12.3498 12.3498 13.3110 13.3110 13.3226 13.3226 13.5317 13.5317 13.5326 13.5326 k = 0.2606 0.4514 0.3051 ( 6636 PWs) bands (ev): -44.6990 -44.6990 -44.6990 -44.6990 -21.4681 -21.4681 -21.4626 -21.4626 -20.8384 -20.8384 -20.8313 -20.8313 -20.8021 -20.8021 -20.7894 -20.7894 0.0899 0.0899 0.0957 0.0957 6.5593 6.5593 6.7319 6.7319 7.7870 7.7870 7.9738 7.9738 8.5664 8.5664 8.5841 8.5841 12.2576 12.2576 12.3168 12.3168 13.3349 13.3349 13.3480 13.3480 13.5471 13.5471 13.5485 13.5485 k = 0.2545 0.4409 0.3051 ( 6648 PWs) bands (ev): -44.6991 -44.6991 -44.6990 -44.6990 -21.4678 -21.4678 -21.4625 -21.4625 -20.8382 -20.8382 -20.8314 -20.8314 -20.8014 -20.8014 -20.7892 -20.7892 0.0678 0.0678 0.0732 0.0732 6.5827 6.5827 6.7441 6.7441 7.8439 7.8439 8.0189 8.0189 8.5668 8.5668 8.5845 8.5845 12.2271 12.2271 12.2855 12.2855 13.3502 13.3502 13.3641 13.3641 13.5649 13.5649 13.5682 13.5682 k = 0.2485 0.4304 0.3051 ( 6648 PWs) bands (ev): -44.6991 -44.6991 -44.6991 -44.6991 -21.4675 -21.4675 -21.4624 -21.4624 -20.8381 -20.8381 -20.8315 -20.8315 -20.8006 -20.8006 -20.7889 -20.7889 0.0439 0.0439 0.0490 0.0490 6.6104 6.6104 6.7617 6.7617 7.8990 7.8990 8.0626 8.0626 8.5692 8.5692 8.5863 8.5863 12.1985 12.1985 12.2562 12.2562 13.3579 13.3579 13.3718 13.3718 13.5826 13.5826 13.5870 13.5870 k = 0.2424 0.4199 0.3051 ( 6660 PWs) bands (ev): -44.6992 -44.6992 -44.6991 -44.6991 -21.4671 -21.4671 -21.4623 -21.4623 -20.8378 -20.8378 -20.8316 -20.8316 -20.7999 -20.7999 -20.7886 -20.7886 0.0184 0.0184 0.0232 0.0232 6.6426 6.6426 6.7845 6.7845 7.9515 7.9515 8.1039 8.1039 8.5745 8.5745 8.5903 8.5903 12.1721 12.1721 12.2289 12.2289 13.3595 13.3595 13.3729 13.3729 13.5955 13.5955 13.6004 13.6004 k = 0.2364 0.4094 0.3051 ( 6652 PWs) bands (ev): -44.6992 -44.6992 -44.6992 -44.6992 -21.4668 -21.4668 -21.4622 -21.4622 -20.8376 -20.8376 -20.8316 -20.8316 -20.7990 -20.7990 -20.7883 -20.7883 -0.0086 -0.0086 -0.0041 -0.0041 6.6793 6.6793 6.8124 6.8124 8.0007 8.0007 8.1414 8.1414 8.5835 8.5835 8.5970 8.5970 12.1481 12.1481 12.2040 12.2040 13.3565 13.3565 13.3689 13.3689 13.5997 13.5997 13.6045 13.6045 k = 0.2303 0.3989 0.3051 ( 6652 PWs) bands (ev): -44.6993 -44.6993 -44.6993 -44.6993 -21.4664 -21.4664 -21.4620 -21.4620 -20.8374 -20.8374 -20.8317 -20.8317 -20.7982 -20.7982 -20.7880 -20.7880 -0.0370 -0.0370 -0.0329 -0.0329 6.7204 6.7204 6.8455 6.8455 8.0455 8.0455 8.1740 8.1740 8.5972 8.5972 8.6073 8.6073 12.1266 12.1266 12.1815 12.1815 13.3498 13.3498 13.3610 13.3610 13.5933 13.5933 13.5973 13.5973 k = 0.2242 0.3884 0.3051 ( 6656 PWs) bands (ev): -44.6994 -44.6994 -44.6993 -44.6993 -21.4660 -21.4660 -21.4618 -21.4618 -20.8371 -20.8371 -20.8317 -20.8317 -20.7974 -20.7974 -20.7877 -20.7877 -0.0668 -0.0668 -0.0629 -0.0629 6.7658 6.7658 6.8834 6.8834 8.0850 8.0850 8.2008 8.2008 8.6166 8.6166 8.6220 8.6220 12.1079 12.1079 12.1618 12.1618 13.3397 13.3397 13.3495 13.3495 13.5768 13.5768 13.5795 13.5795 k = 0.2182 0.3779 0.3051 ( 6660 PWs) bands (ev): -44.6994 -44.6994 -44.6994 -44.6994 -21.4656 -21.4656 -21.4617 -21.4617 -20.8368 -20.8368 -20.8317 -20.8317 -20.7965 -20.7965 -20.7873 -20.7873 -0.0977 -0.0977 -0.0941 -0.0941 6.8154 6.8154 6.9260 6.9260 8.1185 8.1185 8.2211 8.2211 8.6416 8.6416 8.6418 8.6418 12.0922 12.0922 12.1449 12.1449 13.3263 13.3263 13.3345 13.3345 13.5527 13.5527 13.5538 13.5538 k = 0.2121 0.3674 0.3051 ( 6656 PWs) bands (ev): -44.6995 -44.6995 -44.6995 -44.6995 -21.4652 -21.4652 -21.4615 -21.4615 -20.8365 -20.8365 -20.8317 -20.8317 -20.7956 -20.7956 -20.7869 -20.7869 -0.1296 -0.1296 -0.1264 -0.1264 6.8691 6.8691 6.9732 6.9732 8.1455 8.1455 8.2350 8.2350 8.6666 8.6666 8.6728 8.6728 12.0796 12.0796 12.1310 12.1310 13.3094 13.3094 13.3157 13.3157 13.5232 13.5232 13.5239 13.5239 k = 0.2061 0.3569 0.3051 ( 6652 PWs) bands (ev): -44.6996 -44.6996 -44.6996 -44.6996 -21.4648 -21.4648 -21.4613 -21.4613 -20.8362 -20.8362 -20.8317 -20.8317 -20.7947 -20.7947 -20.7865 -20.7865 -0.1625 -0.1625 -0.1595 -0.1595 6.9268 6.9268 7.0246 7.0246 8.1660 8.1660 8.2432 8.2432 8.6969 8.6969 8.7086 8.7086 12.0702 12.0702 12.1202 12.1202 13.2885 13.2885 13.2929 13.2929 13.4910 13.4910 13.4935 13.4935 k = 0.2000 0.3464 0.3051 ( 6654 PWs) bands (ev): -44.6997 -44.6997 -44.6996 -44.6996 -21.4644 -21.4644 -21.4610 -21.4610 -20.8359 -20.8359 -20.8316 -20.8316 -20.7937 -20.7937 -20.7860 -20.7860 -0.1961 -0.1961 -0.1934 -0.1934 6.9881 6.9881 7.0802 7.0802 8.1804 8.1804 8.2466 8.2466 8.7319 8.7319 8.7483 8.7483 12.0641 12.0641 12.1126 12.1126 13.2631 13.2631 13.2658 13.2658 13.4597 13.4597 13.4638 13.4638 k = 0.1939 0.3359 0.3051 ( 6654 PWs) bands (ev): -44.6997 -44.6997 -44.6997 -44.6997 -21.4639 -21.4639 -21.4608 -21.4608 -20.8356 -20.8356 -20.8316 -20.8316 -20.7928 -20.7928 -20.7856 -20.7856 -0.2304 -0.2304 -0.2280 -0.2280 7.0529 7.0529 7.1395 7.1395 8.1896 8.1896 8.2463 8.2463 8.7707 8.7707 8.7907 8.7907 12.0615 12.0615 12.1084 12.1084 13.2333 13.2333 13.2345 13.2345 13.4309 13.4309 13.4363 13.4363 k = 0.1879 0.3254 0.3051 ( 6656 PWs) bands (ev): -44.6998 -44.6998 -44.6998 -44.6998 -21.4635 -21.4635 -21.4606 -21.4606 -20.8353 -20.8353 -20.8315 -20.8315 -20.7918 -20.7918 -20.7851 -20.7851 -0.2652 -0.2652 -0.2629 -0.2629 7.1209 7.1209 7.2022 7.2022 8.1945 8.1945 8.2432 8.2432 8.8124 8.8124 8.8348 8.8348 12.0623 12.0623 12.1075 12.1075 13.1995 13.1995 13.1996 13.1996 13.4052 13.4052 13.4115 13.4115 k = 0.1818 0.3149 0.3051 ( 6652 PWs) bands (ev): -44.6999 -44.6999 -44.6999 -44.6999 -21.4630 -21.4630 -21.4603 -21.4603 -20.8349 -20.8349 -20.8315 -20.8315 -20.7908 -20.7908 -20.7846 -20.7846 -0.3003 -0.3003 -0.2983 -0.2983 7.1917 7.1917 7.2681 7.2681 8.1961 8.1961 8.2382 8.2382 8.8561 8.8561 8.8798 8.8798 12.0667 12.0667 12.1101 12.1101 13.1621 13.1621 13.1627 13.1627 13.3828 13.3828 13.3894 13.3894 k = 0.1758 0.3044 0.3051 ( 6652 PWs) bands (ev): -44.7000 -44.7000 -44.7000 -44.7000 -21.4625 -21.4625 -21.4601 -21.4601 -20.8346 -20.8346 -20.8314 -20.8314 -20.7899 -20.7899 -20.7841 -20.7841 -0.3356 -0.3356 -0.3338 -0.3338 7.2648 7.2648 7.3365 7.3365 8.1954 8.1954 8.2320 8.2320 8.9008 8.9008 8.9250 8.9250 12.0747 12.0747 12.1161 12.1161 13.1232 13.1232 13.1240 13.1240 13.3629 13.3629 13.3696 13.3696 k = 0.1697 0.2939 0.3051 ( 6656 PWs) bands (ev): -44.7001 -44.7001 -44.7001 -44.7001 -21.4621 -21.4621 -21.4598 -21.4598 -20.8342 -20.8342 -20.8313 -20.8313 -20.7889 -20.7889 -20.7836 -20.7836 -0.3710 -0.3710 -0.3694 -0.3694 7.3398 7.3398 7.4070 7.4070 8.1933 8.1933 8.2254 8.2254 8.9458 8.9458 8.9699 8.9699 12.0861 12.0861 12.1255 12.1255 13.0839 13.0839 13.0847 13.0847 13.3452 13.3452 13.3515 13.3515 k = 0.1636 0.2834 0.3051 ( 6656 PWs) bands (ev): -44.7002 -44.7002 -44.7002 -44.7002 -21.4616 -21.4616 -21.4595 -21.4595 -20.8339 -20.8339 -20.8312 -20.8312 -20.7879 -20.7879 -20.7830 -20.7830 -0.4063 -0.4063 -0.4049 -0.4049 7.4160 7.4160 7.4788 7.4788 8.1908 8.1908 8.2191 8.2191 8.9906 8.9906 9.0140 9.0140 12.1010 12.1010 12.1382 12.1382 13.0450 13.0450 13.0456 13.0456 13.3291 13.3291 13.3349 13.3349 k = 0.1576 0.2729 0.3051 ( 6662 PWs) bands (ev): -44.7003 -44.7003 -44.7003 -44.7003 -21.4611 -21.4611 -21.4592 -21.4592 -20.8335 -20.8335 -20.8311 -20.8311 -20.7869 -20.7869 -20.7825 -20.7825 -0.4414 -0.4414 -0.4402 -0.4402 7.4926 7.4926 7.5509 7.5509 8.1891 8.1891 8.2141 8.2141 9.0347 9.0347 9.0571 9.0571 12.1193 12.1193 12.1543 12.1543 13.0071 13.0071 13.0075 13.0075 13.3143 13.3143 13.3196 13.3196 k = 0.1515 0.2624 0.3051 ( 6670 PWs) bands (ev): -44.7004 -44.7004 -44.7004 -44.7004 -21.4607 -21.4607 -21.4590 -21.4590 -20.8332 -20.8332 -20.8310 -20.8310 -20.7859 -20.7859 -20.7819 -20.7819 -0.4762 -0.4762 -0.4751 -0.4751 7.5682 7.5682 7.6220 7.6220 8.1896 8.1896 8.2114 8.2114 9.0776 9.0776 9.0988 9.0988 12.1407 12.1407 12.1735 12.1735 12.9708 12.9708 12.9709 12.9709 13.3007 13.3007 13.3053 13.3053 k = 0.1455 0.2519 0.3051 ( 6678 PWs) bands (ev): -44.7005 -44.7005 -44.7005 -44.7005 -21.4602 -21.4602 -21.4587 -21.4587 -20.8329 -20.8329 -20.8308 -20.8308 -20.7849 -20.7849 -20.7813 -20.7813 -0.5106 -0.5106 -0.5096 -0.5096 7.6412 7.6412 7.6902 7.6902 8.1942 8.1942 8.2127 8.2127 9.1192 9.1192 9.1389 9.1389 12.1652 12.1652 12.1956 12.1956 12.9361 12.9361 12.9363 12.9363 13.2880 13.2880 13.2921 13.2921 k = 0.1394 0.2414 0.3051 ( 6676 PWs) bands (ev): -44.7006 -44.7006 -44.7006 -44.7006 -21.4597 -21.4597 -21.4584 -21.4584 -20.8325 -20.8325 -20.8307 -20.8307 -20.7840 -20.7840 -20.7807 -20.7807 -0.5444 -0.5444 -0.5436 -0.5436 7.7092 7.7092 7.7526 7.7526 8.2056 8.2056 8.2202 8.2202 9.1592 9.1592 9.1774 9.1774 12.1925 12.1925 12.2206 12.2206 12.9035 12.9035 12.9041 12.9041 13.2764 13.2764 13.2798 13.2798 k = 0.1333 0.2309 0.3051 ( 6674 PWs) bands (ev): -44.7007 -44.7006 -44.7006 -44.7006 -21.4593 -21.4593 -21.4581 -21.4581 -20.8322 -20.8322 -20.8306 -20.8306 -20.7830 -20.7830 -20.7801 -20.7801 -0.5776 -0.5776 -0.5768 -0.5768 7.7692 7.7692 7.8061 7.8061 8.2269 8.2269 8.2369 8.2369 9.1974 9.1974 9.2140 9.2140 12.2223 12.2223 12.2480 12.2480 12.8733 12.8733 12.8742 12.8742 13.2659 13.2659 13.2686 13.2686 k = 0.1273 0.2204 0.3051 ( 6674 PWs) bands (ev): -44.7007 -44.7007 -44.7007 -44.7007 -21.4589 -21.4589 -21.4578 -21.4578 -20.8319 -20.8319 -20.8305 -20.8305 -20.7821 -20.7821 -20.7795 -20.7795 -0.6099 -0.6099 -0.6093 -0.6093 7.8178 7.8178 7.8474 7.8474 8.2610 8.2610 8.2657 8.2657 9.2337 9.2337 9.2488 9.2488 12.2543 12.2543 12.2777 12.2777 12.8457 12.8457 12.8468 12.8468 13.2564 13.2564 13.2585 13.2585 k = 0.1212 0.2099 0.3051 ( 6666 PWs) bands (ev): -44.7008 -44.7008 -44.7008 -44.7008 -21.4584 -21.4584 -21.4575 -21.4575 -20.8316 -20.8316 -20.8303 -20.8303 -20.7811 -20.7811 -20.7789 -20.7789 -0.6415 -0.6415 -0.6409 -0.6409 7.8532 7.8532 7.8755 7.8755 8.3083 8.3083 8.3089 8.3089 9.2682 9.2682 9.2818 9.2818 12.2882 12.2882 12.3093 12.3093 12.8207 12.8207 12.8221 12.8221 13.2482 13.2482 13.2496 13.2496 k = 0.1152 0.1994 0.3051 ( 6670 PWs) bands (ev): -44.7009 -44.7009 -44.7009 -44.7009 -21.4580 -21.4580 -21.4572 -21.4572 -20.8313 -20.8313 -20.8302 -20.8302 -20.7802 -20.7802 -20.7783 -20.7783 -0.6720 -0.6720 -0.6716 -0.6716 7.8756 7.8756 7.8916 7.8916 8.3641 8.3641 8.3689 8.3689 9.3007 9.3007 9.3128 9.3128 12.3235 12.3235 12.3423 12.3423 12.7984 12.7984 12.8000 12.8000 13.2412 13.2412 13.2421 13.2421 k = 0.1091 0.1890 0.3051 ( 6670 PWs) bands (ev): -44.7010 -44.7010 -44.7010 -44.7010 -21.4576 -21.4576 -21.4569 -21.4569 -20.8310 -20.8310 -20.8301 -20.8301 -20.7793 -20.7793 -20.7777 -20.7777 -0.7015 -0.7015 -0.7011 -0.7011 7.8875 7.8875 7.8987 7.8987 8.4302 8.4302 8.4378 8.4378 9.3314 9.3314 9.3421 9.3421 12.3598 12.3598 12.3765 12.3765 12.7788 12.7788 12.7806 12.7806 13.2357 13.2357 13.2361 13.2361 k = 0.1030 0.1785 0.3051 ( 6670 PWs) bands (ev): -44.7011 -44.7011 -44.7011 -44.7011 -21.4572 -21.4572 -21.4566 -21.4566 -20.8308 -20.8308 -20.8300 -20.8300 -20.7785 -20.7785 -20.7771 -20.7771 -0.7299 -0.7299 -0.7295 -0.7295 7.8918 7.8918 7.8996 7.8996 8.5035 8.5035 8.5124 8.5124 9.3603 9.3603 9.3696 9.3696 12.3967 12.3967 12.4112 12.4112 12.7618 12.7618 12.7638 12.7638 13.2318 13.2318 13.2319 13.2319 k = 0.0970 0.1680 0.3051 ( 6674 PWs) bands (ev): -44.7012 -44.7012 -44.7012 -44.7012 -21.4569 -21.4569 -21.4564 -21.4564 -20.8305 -20.8305 -20.8299 -20.8299 -20.7777 -20.7777 -20.7765 -20.7765 -0.7570 -0.7570 -0.7567 -0.7567 7.8910 7.8910 7.8964 7.8964 8.5809 8.5809 8.5902 8.5902 9.3875 9.3875 9.3955 9.3955 12.4335 12.4335 12.4460 12.4460 12.7475 12.7475 12.7496 12.7496 13.2293 13.2293 13.2299 13.2299 k = 0.0909 0.1575 0.3051 ( 6686 PWs) bands (ev): -44.7013 -44.7013 -44.7012 -44.7012 -21.4565 -21.4565 -21.4561 -21.4561 -20.8303 -20.8303 -20.8297 -20.8297 -20.7769 -20.7769 -20.7759 -20.7759 -0.7828 -0.7828 -0.7826 -0.7826 7.8868 7.8868 7.8907 7.8907 8.6601 8.6601 8.6691 8.6691 9.4132 9.4132 9.4200 9.4200 12.4698 12.4698 12.4803 12.4803 12.7357 12.7357 12.7379 12.7379 13.2289 13.2289 13.2298 13.2298 k = 0.0848 0.1470 0.3051 ( 6674 PWs) bands (ev): -44.7013 -44.7013 -44.7013 -44.7013 -21.4562 -21.4562 -21.4558 -21.4558 -20.8301 -20.8301 -20.8296 -20.8296 -20.7761 -20.7761 -20.7753 -20.7753 -0.8073 -0.8073 -0.8072 -0.8072 7.8807 7.8807 7.8834 7.8834 8.7394 8.7394 8.7477 8.7477 9.4376 9.4376 9.4433 9.4433 12.5050 12.5050 12.5137 12.5137 12.7263 12.7263 12.7285 12.7285 13.2308 13.2308 13.2320 13.2320 k = 0.0788 0.1365 0.3051 ( 6692 PWs) bands (ev): -44.7014 -44.7014 -44.7014 -44.7014 -21.4559 -21.4559 -21.4556 -21.4556 -20.8299 -20.8299 -20.8295 -20.8295 -20.7754 -20.7754 -20.7747 -20.7747 -0.8304 -0.8304 -0.8303 -0.8303 7.8732 7.8732 7.8752 7.8752 8.8173 8.8173 8.8246 8.8246 9.4608 9.4608 9.4655 9.4655 12.5386 12.5386 12.5455 12.5455 12.7192 12.7192 12.7214 12.7214 13.2350 13.2350 13.2364 13.2364 k = 0.0727 0.1260 0.3051 ( 6696 PWs) bands (ev): -44.7015 -44.7015 -44.7015 -44.7015 -21.4556 -21.4556 -21.4553 -21.4553 -20.8297 -20.8297 -20.8294 -20.8294 -20.7747 -20.7747 -20.7742 -20.7742 -0.8520 -0.8520 -0.8519 -0.8519 7.8652 7.8652 7.8665 7.8665 8.8924 8.8924 8.8987 8.8987 9.4833 9.4833 9.4870 9.4870 12.5700 12.5700 12.5753 12.5753 12.7141 12.7141 12.7164 12.7164 13.2416 13.2416 13.2431 13.2431 k = 0.0667 0.1155 0.3051 ( 6688 PWs) bands (ev): -44.7015 -44.7015 -44.7015 -44.7015 -21.4553 -21.4553 -21.4551 -21.4551 -20.8296 -20.8296 -20.8293 -20.8293 -20.7741 -20.7741 -20.7737 -20.7737 -0.8720 -0.8720 -0.8720 -0.8720 7.8569 7.8569 7.8579 7.8579 8.9638 8.9638 8.9689 8.9689 9.5051 9.5051 9.5080 9.5080 12.5988 12.5988 12.6027 12.6027 12.7109 12.7109 12.7132 12.7132 13.2507 13.2507 13.2522 13.2522 k = 0.0606 0.1050 0.3051 ( 6688 PWs) bands (ev): -44.7016 -44.7016 -44.7016 -44.7016 -21.4551 -21.4551 -21.4549 -21.4549 -20.8294 -20.8294 -20.8292 -20.8292 -20.7735 -20.7735 -20.7732 -20.7732 -0.8905 -0.8905 -0.8905 -0.8905 7.8487 7.8487 7.8494 7.8494 9.0302 9.0302 9.0343 9.0343 9.5267 9.5267 9.5289 9.5289 12.6247 12.6247 12.6272 12.6272 12.7093 12.7093 12.7117 12.7117 13.2620 13.2620 13.2635 13.2635 k = 0.0545 0.0945 0.3051 ( 6688 PWs) bands (ev): -44.7016 -44.7016 -44.7016 -44.7016 -21.4548 -21.4548 -21.4547 -21.4547 -20.8293 -20.8293 -20.8292 -20.8292 -20.7730 -20.7730 -20.7728 -20.7728 -0.9074 -0.9074 -0.9073 -0.9073 7.8408 7.8408 7.8413 7.8413 9.0908 9.0908 9.0939 9.0939 9.5482 9.5482 9.5498 9.5498 12.6475 12.6475 12.6488 12.6488 12.7091 12.7091 12.7116 12.7116 13.2753 13.2753 13.2767 13.2767 k = 0.0485 0.0840 0.3051 ( 6692 PWs) bands (ev): -44.7017 -44.7017 -44.7017 -44.7017 -21.4546 -21.4546 -21.4546 -21.4546 -20.8292 -20.8292 -20.8291 -20.8291 -20.7725 -20.7725 -20.7724 -20.7724 -0.9225 -0.9225 -0.9225 -0.9225 7.8334 7.8334 7.8337 7.8337 9.1448 9.1448 9.1471 9.1471 9.5699 9.5699 9.5709 9.5709 12.6671 12.6671 12.6673 12.6673 12.7101 12.7101 12.7126 12.7126 13.2901 13.2901 13.2913 13.2913 k = 0.0424 0.0735 0.3051 ( 6704 PWs) bands (ev): -44.7017 -44.7017 -44.7017 -44.7017 -21.4544 -21.4544 -21.4544 -21.4544 -20.8291 -20.8291 -20.8290 -20.8290 -20.7721 -20.7721 -20.7720 -20.7720 -0.9360 -0.9360 -0.9360 -0.9360 7.8266 7.8266 7.8268 7.8268 9.1916 9.1916 9.1931 9.1931 9.5915 9.5915 9.5921 9.5921 12.6829 12.6829 12.6835 12.6835 12.7119 12.7119 12.7145 12.7145 13.3058 13.3058 13.3068 13.3068 k = 0.0364 0.0630 0.3051 ( 6708 PWs) bands (ev): -44.7018 -44.7018 -44.7018 -44.7018 -21.4543 -21.4543 -21.4543 -21.4543 -20.8290 -20.8290 -20.8289 -20.8289 -20.7717 -20.7717 -20.7717 -20.7717 -0.9477 -0.9477 -0.9477 -0.9477 7.8205 7.8205 7.8206 7.8206 9.2309 9.2309 9.2319 9.2319 9.6128 9.6128 9.6132 9.6132 12.6956 12.6956 12.6970 12.6970 12.7143 12.7143 12.7170 12.7170 13.3217 13.3217 13.3224 13.3224 k = 0.0303 0.0525 0.3051 ( 6708 PWs) bands (ev): -44.7018 -44.7018 -44.7018 -44.7018 -21.4542 -21.4542 -21.4541 -21.4541 -20.8289 -20.8289 -20.8289 -20.8289 -20.7714 -20.7714 -20.7714 -20.7714 -0.9577 -0.9577 -0.9577 -0.9577 7.8152 7.8152 7.8153 7.8153 9.2629 9.2629 9.2634 9.2634 9.6331 9.6331 9.6333 9.6333 12.7057 12.7057 12.7076 12.7076 12.7171 12.7171 12.7198 12.7198 13.3369 13.3369 13.3374 13.3374 k = 0.0242 0.0420 0.3051 ( 6696 PWs) bands (ev): -44.7018 -44.7018 -44.7018 -44.7018 -21.4541 -21.4541 -21.4540 -21.4540 -20.8289 -20.8289 -20.8288 -20.8288 -20.7712 -20.7712 -20.7711 -20.7711 -0.9659 -0.9659 -0.9659 -0.9659 7.8108 7.8108 7.8108 7.8108 9.2879 9.2879 9.2882 9.2882 9.6516 9.6516 9.6517 9.6517 12.7135 12.7135 12.7156 12.7156 12.7200 12.7200 12.7226 12.7226 13.3507 13.3507 13.3510 13.3510 k = 0.0182 0.0315 0.3051 ( 6692 PWs) bands (ev): -44.7019 -44.7019 -44.7019 -44.7019 -21.4540 -21.4540 -21.4540 -21.4540 -20.8288 -20.8288 -20.8288 -20.8288 -20.7710 -20.7710 -20.7709 -20.7709 -0.9723 -0.9723 -0.9723 -0.9723 7.8073 7.8073 7.8073 7.8073 9.3065 9.3065 9.3066 9.3066 9.6673 9.6673 9.6673 9.6673 12.7192 12.7192 12.7208 12.7208 12.7233 12.7233 12.7251 12.7251 13.3623 13.3623 13.3625 13.3625 k = 0.0121 0.0210 0.3051 ( 6700 PWs) bands (ev): -44.7019 -44.7019 -44.7019 -44.7019 -21.4539 -21.4539 -21.4539 -21.4539 -20.8288 -20.8288 -20.8288 -20.8288 -20.7708 -20.7708 -20.7708 -20.7708 -0.9769 -0.9769 -0.9769 -0.9769 7.8048 7.8048 7.8048 7.8048 9.3193 9.3193 9.3193 9.3193 9.6792 9.6792 9.6792 9.6792 12.7230 12.7230 12.7236 12.7236 12.7265 12.7265 12.7272 12.7272 13.3711 13.3711 13.3712 13.3712 k = 0.0061 0.0105 0.3051 ( 6698 PWs) bands (ev): -44.7019 -44.7019 -44.7019 -44.7019 -21.4539 -21.4539 -21.4539 -21.4539 -20.8288 -20.8288 -20.8288 -20.8288 -20.7707 -20.7707 -20.7707 -20.7707 -0.9796 -0.9796 -0.9796 -0.9796 7.8033 7.8033 7.8033 7.8033 9.3267 9.3267 9.3267 9.3267 9.6867 9.6867 9.6867 9.6867 12.7251 12.7251 12.7252 12.7252 12.7286 12.7286 12.7286 12.7286 13.3766 13.3766 13.3766 13.3766 k = 0.0000 0.0000 0.3051 ( 6706 PWs) bands (ev): -44.7019 -44.7019 -44.7019 -44.7019 -21.4539 -21.4539 -21.4539 -21.4539 -20.8288 -20.8288 -20.8288 -20.8288 -20.7707 -20.7707 -20.7707 -20.7707 -0.9806 -0.9806 -0.9806 -0.9806 7.8028 7.8028 7.8028 7.8028 9.3292 9.3292 9.3292 9.3292 9.6892 9.6892 9.6892 9.6892 12.7257 12.7257 12.7257 12.7257 12.7292 12.7292 12.7292 12.7292 13.3785 13.3785 13.3785 13.3785 k = 0.5000 0.2887 0.3051 ( 6640 PWs) bands (ev): -44.6991 -44.6991 -44.6991 -44.6991 -21.4652 -21.4652 -21.4652 -21.4652 -20.8368 -20.8368 -20.8368 -20.8368 -20.7927 -20.7927 -20.7927 -20.7927 0.0666 0.0666 0.0666 0.0666 6.1932 6.1932 6.1932 6.1932 8.3769 8.3769 8.3769 8.3769 9.0468 9.0468 9.0468 9.0468 11.9565 11.9565 11.9565 11.9565 13.1870 13.1870 13.1870 13.1870 13.6195 13.6195 13.6195 13.6195 k = 0.5000 0.2887 0.2929 ( 6650 PWs) bands (ev): -44.6991 -44.6991 -44.6990 -44.6990 -21.4654 -21.4654 -21.4649 -21.4649 -20.8371 -20.8371 -20.8365 -20.8365 -20.7930 -20.7930 -20.7924 -20.7924 0.0172 0.0172 0.1174 0.1174 6.1405 6.1405 6.2465 6.2465 8.2409 8.2409 8.5081 8.5081 9.0259 9.0259 9.0727 9.0727 11.9056 11.9056 12.0094 12.0094 13.1757 13.1757 13.1988 13.1988 13.6099 13.6099 13.6291 13.6291 k = 0.5000 0.2887 0.2807 ( 6652 PWs) bands (ev): -44.6992 -44.6992 -44.6990 -44.6990 -21.4657 -21.4657 -21.4647 -21.4647 -20.8373 -20.8373 -20.8363 -20.8363 -20.7932 -20.7932 -20.7922 -20.7922 -0.0308 -0.0308 0.1693 0.1693 6.0886 6.0886 6.3002 6.3002 8.1028 8.1028 8.6307 8.6307 9.0082 9.0082 9.1067 9.1067 11.8571 11.8571 12.0643 12.0643 13.1649 13.1649 13.2110 13.2110 13.6003 13.6003 13.6387 13.6387 k = 0.5000 0.2887 0.2685 ( 6658 PWs) bands (ev): -44.6993 -44.6993 -44.6989 -44.6989 -21.4659 -21.4659 -21.4644 -21.4644 -20.8376 -20.8376 -20.8360 -20.8360 -20.7935 -20.7935 -20.7919 -20.7919 -0.0773 -0.0773 0.2223 0.2223 6.0377 6.0377 6.3540 6.3540 7.9643 7.9643 8.7391 8.7391 8.9927 8.9927 9.1539 9.1539 11.8111 11.8111 12.1209 12.1209 13.1548 13.1548 13.2235 13.2235 13.5908 13.5908 13.6481 13.6481 k = 0.5000 0.2887 0.2563 ( 6664 PWs) bands (ev): -44.6993 -44.6993 -44.6989 -44.6989 -21.4661 -21.4661 -21.4642 -21.4642 -20.8378 -20.8378 -20.8357 -20.8357 -20.7938 -20.7938 -20.7917 -20.7917 -0.1221 -0.1221 0.2763 0.2763 5.9879 5.9879 6.4074 6.4074 7.8269 7.8269 8.8268 8.8268 8.9788 8.9788 9.2196 9.2196 11.7681 11.7681 12.1789 12.1789 13.1455 13.1455 13.2361 13.2361 13.5815 13.5815 13.6573 13.6573 k = 0.5000 0.2887 0.2441 ( 6644 PWs) bands (ev): -44.6994 -44.6994 -44.6988 -44.6988 -21.4664 -21.4664 -21.4639 -21.4639 -20.8381 -20.8381 -20.8354 -20.8354 -20.7941 -20.7941 -20.7915 -20.7915 -0.1653 -0.1653 0.3309 0.3309 5.9394 5.9394 6.4600 6.4600 7.6917 7.6917 8.8912 8.8912 8.9663 8.9663 9.3057 9.3057 11.7281 11.7281 12.2382 12.2382 13.1369 13.1369 13.2488 13.2488 13.5724 13.5724 13.6664 13.6664 k = 0.5000 0.2887 0.2319 ( 6650 PWs) bands (ev): -44.6994 -44.6994 -44.6987 -44.6987 -21.4666 -21.4666 -21.4637 -21.4637 -20.8383 -20.8383 -20.8351 -20.8351 -20.7944 -20.7944 -20.7913 -20.7912 -0.2067 -0.2067 0.3861 0.3861 5.8922 5.8922 6.5110 6.5110 7.5601 7.5601 8.9346 8.9346 8.9563 8.9563 9.4075 9.4075 11.6917 11.6917 12.2985 12.2985 13.1293 13.1293 13.2615 13.2615 13.5635 13.5635 13.6751 13.6751 k = 0.5000 0.2887 0.2197 ( 6654 PWs) bands (ev): -44.6995 -44.6995 -44.6987 -44.6987 -21.4668 -21.4668 -21.4635 -21.4635 -20.8385 -20.8385 -20.8348 -20.8348 -20.7947 -20.7947 -20.7911 -20.7911 -0.2462 -0.2462 0.4417 0.4417 5.8465 5.8465 6.5592 6.5592 7.4337 7.4337 8.9408 8.9408 8.9714 8.9714 9.5177 9.5177 11.6590 11.6590 12.3596 12.3596 13.1227 13.1227 13.2741 13.2741 13.5550 13.5550 13.6835 13.6835 k = 0.5000 0.2887 0.2075 ( 6656 PWs) bands (ev): -44.6995 -44.6995 -44.6986 -44.6986 -21.4670 -21.4670 -21.4632 -21.4632 -20.8387 -20.8387 -20.8346 -20.8346 -20.7949 -20.7949 -20.7909 -20.7909 -0.2839 -0.2839 0.4974 0.4974 5.8023 5.8023 6.6026 6.6026 7.3148 7.3148 8.9313 8.9313 8.9948 8.9948 9.6303 9.6303 11.6305 11.6305 12.4213 12.4213 13.1171 13.1171 13.2866 13.2866 13.5468 13.5468 13.6916 13.6916 k = 0.5000 0.2887 0.1953 ( 6646 PWs) bands (ev): -44.6996 -44.6996 -44.6986 -44.6986 -21.4672 -21.4672 -21.4630 -21.4630 -20.8389 -20.8389 -20.8343 -20.8343 -20.7952 -20.7952 -20.7907 -20.7907 -0.3197 -0.3197 0.5529 0.5529 5.7597 5.7597 6.6377 6.6377 7.2074 7.2074 8.9218 8.9218 9.0139 9.0139 9.7414 9.7414 11.6066 11.6066 12.4834 12.4834 13.1125 13.1125 13.2988 13.2988 13.5391 13.5391 13.6993 13.6993 k = 0.5000 0.2887 0.1831 ( 6646 PWs) bands (ev): -44.6996 -44.6996 -44.6985 -44.6985 -21.4674 -21.4674 -21.4628 -21.4628 -20.8391 -20.8391 -20.8340 -20.8340 -20.7955 -20.7955 -20.7905 -20.7905 -0.3534 -0.3534 0.6081 0.6081 5.7187 5.7187 6.6579 6.6579 7.1184 7.1184 8.9129 8.9129 9.0299 9.0299 9.8481 9.8481 11.5877 11.5877 12.5455 12.5455 13.1092 13.1092 13.3106 13.3106 13.5319 13.5319 13.7065 13.7065 k = 0.5000 0.2887 0.1709 ( 6652 PWs) bands (ev): -44.6997 -44.6997 -44.6985 -44.6985 -21.4676 -21.4676 -21.4626 -21.4626 -20.8392 -20.8392 -20.8338 -20.8338 -20.7957 -20.7957 -20.7904 -20.7904 -0.3852 -0.3852 0.6625 0.6625 5.6794 5.6794 6.6531 6.6531 7.0580 7.0580 8.9044 8.9044 9.0436 9.0436 9.9486 9.9486 11.5742 11.5742 12.6074 12.6074 13.1070 13.1070 13.3220 13.3220 13.5252 13.5252 13.7132 13.7132 k = 0.5000 0.2887 0.1587 ( 6658 PWs) bands (ev): -44.6997 -44.6997 -44.6984 -44.6984 -21.4678 -21.4678 -21.4624 -21.4624 -20.8394 -20.8394 -20.8335 -20.8335 -20.7960 -20.7960 -20.7902 -20.7902 -0.4149 -0.4149 0.7158 0.7158 5.6417 5.6417 6.6167 6.6167 7.0333 7.0333 8.8966 8.8966 9.0556 9.0556 10.0413 10.0413 11.5664 11.5664 12.6689 12.6689 13.1059 13.1059 13.3330 13.3330 13.5192 13.5192 13.7195 13.7195 k = 0.5000 0.2887 0.1465 ( 6652 PWs) bands (ev): -44.6998 -44.6998 -44.6984 -44.6984 -21.4680 -21.4680 -21.4622 -21.4622 -20.8395 -20.8395 -20.8333 -20.8333 -20.7962 -20.7962 -20.7901 -20.7901 -0.4425 -0.4425 0.7678 0.7678 5.6058 5.6058 6.5549 6.5549 7.0381 7.0381 8.8893 8.8893 9.0663 9.0663 10.1250 10.1250 11.5643 11.5643 12.7295 12.7295 13.1061 13.1061 13.3433 13.3433 13.5138 13.5138 13.7253 13.7253 k = 0.5000 0.2887 0.1343 ( 6646 PWs) bands (ev): -44.6998 -44.6998 -44.6984 -44.6984 -21.4681 -21.4681 -21.4621 -21.4621 -20.8397 -20.8397 -20.8330 -20.8330 -20.7965 -20.7965 -20.7900 -20.7900 -0.4680 -0.4680 0.8179 0.8179 5.5716 5.5716 6.4808 6.4808 7.0596 7.0596 8.8827 8.8827 9.0759 9.0759 10.1992 10.1992 11.5681 11.5681 12.7888 12.7888 13.1074 13.1074 13.3531 13.3531 13.5093 13.5093 13.7305 13.7305 k = 0.5000 0.2887 0.1221 ( 6642 PWs) bands (ev): -44.6999 -44.6999 -44.6983 -44.6983 -21.4683 -21.4683 -21.4619 -21.4619 -20.8398 -20.8398 -20.8328 -20.8328 -20.7967 -20.7967 -20.7899 -20.7899 -0.4913 -0.4913 0.8658 0.8658 5.5393 5.5393 6.4035 6.4035 7.0889 7.0889 8.8766 8.8766 9.0844 9.0844 10.2633 10.2633 11.5773 11.5773 12.8466 12.8466 13.1097 13.1097 13.3622 13.3622 13.5057 13.5057 13.7350 13.7350 k = 0.5000 0.2887 0.1098 ( 6646 PWs) bands (ev): -44.6999 -44.6999 -44.6983 -44.6983 -21.4684 -21.4684 -21.4618 -21.4618 -20.8399 -20.8399 -20.8326 -20.8326 -20.7969 -20.7969 -20.7898 -20.7898 -0.5125 -0.5125 0.9111 0.9111 5.5088 5.5088 6.3284 6.3284 7.1208 7.1208 8.8711 8.8711 9.0920 9.0920 10.3175 10.3175 11.5912 11.5912 12.9021 12.9021 13.1131 13.1131 13.3706 13.3706 13.5031 13.5031 13.7364 13.7370 k = 0.5000 0.2887 0.0976 ( 6642 PWs) bands (ev): -44.6999 -44.6999 -44.6983 -44.6983 -21.4685 -21.4685 -21.4616 -21.4616 -20.8400 -20.8400 -20.8325 -20.8325 -20.7970 -20.7970 -20.7897 -20.7897 -0.5315 -0.5315 0.9533 0.9533 5.4804 5.4804 6.2581 6.2581 7.1527 7.1527 8.8662 8.8662 9.0988 9.0988 10.3622 10.3622 11.6089 11.6089 12.9549 12.9549 13.1173 13.1173 13.3782 13.3782 13.5017 13.5017 13.7076 13.7076 k = 0.5000 0.2887 0.0854 ( 6630 PWs) bands (ev): -44.6999 -44.6999 -44.6982 -44.6982 -21.4686 -21.4686 -21.4615 -21.4615 -20.8401 -20.8401 -20.8323 -20.8323 -20.7972 -20.7972 -20.7897 -20.7897 -0.5483 -0.5483 0.9919 0.9919 5.4541 5.4541 6.1944 6.1944 7.1830 7.1830 8.8620 8.8620 9.1047 9.1047 10.3983 10.3983 11.6291 11.6291 13.0044 13.0044 13.1222 13.1222 13.3851 13.3851 13.5017 13.5017 13.6749 13.6749 k = 0.5000 0.2887 0.0732 ( 6630 PWs) bands (ev): -44.7000 -44.7000 -44.6982 -44.6982 -21.4687 -21.4687 -21.4614 -21.4614 -20.8401 -20.8401 -20.8322 -20.8322 -20.7973 -20.7973 -20.7896 -20.7896 -0.5629 -0.5629 1.0265 1.0265 5.4303 5.4303 6.1381 6.1381 7.2107 7.2107 8.8583 8.8583 9.1098 9.1098 10.4268 10.4268 11.6503 11.6503 13.0496 13.0496 13.1276 13.1276 13.3911 13.3911 13.5030 13.5030 13.6452 13.6452 k = 0.5000 0.2887 0.0610 ( 6630 PWs) bands (ev): -44.7000 -44.7000 -44.6982 -44.6982 -21.4688 -21.4688 -21.4613 -21.4613 -20.8402 -20.8402 -20.8320 -20.8320 -20.7975 -20.7975 -20.7896 -20.7896 -0.5752 -0.5752 1.0567 1.0567 5.4093 5.4093 6.0900 6.0900 7.2351 7.2351 8.8551 8.8551 9.1141 9.1141 10.4486 10.4486 11.6711 11.6711 13.0898 13.0898 13.1332 13.1332 13.3962 13.3962 13.5058 13.5058 13.6190 13.6190 k = 0.5000 0.2887 0.0488 ( 6628 PWs) bands (ev): -44.7000 -44.7000 -44.6982 -44.6982 -21.4689 -21.4689 -21.4612 -21.4612 -20.8402 -20.8402 -20.8319 -20.8319 -20.7976 -20.7976 -20.7895 -20.7895 -0.5854 -0.5854 1.0820 1.0820 5.3914 5.3914 6.0504 6.0504 7.2557 7.2557 8.8526 8.8526 9.1176 9.1176 10.4649 10.4649 11.6902 11.6902 13.1239 13.1239 13.1387 13.1387 13.4004 13.4004 13.5099 13.5099 13.5967 13.5967 k = 0.5000 0.2887 0.0366 ( 6630 PWs) bands (ev): -44.7000 -44.7000 -44.6982 -44.6982 -21.4689 -21.4689 -21.4612 -21.4612 -20.8403 -20.8403 -20.8319 -20.8319 -20.7976 -20.7976 -20.7895 -20.7895 -0.5932 -0.5932 1.1021 1.1021 5.3769 5.3769 6.0196 6.0196 7.2722 7.2722 8.8506 8.8506 9.1203 9.1203 10.4766 10.4766 11.7063 11.7063 13.1427 13.1427 13.1522 13.1522 13.4038 13.4038 13.5148 13.5148 13.5789 13.5789 k = 0.5000 0.2887 0.0244 ( 6638 PWs) bands (ev): -44.7000 -44.7000 -44.6982 -44.6982 -21.4689 -21.4689 -21.4611 -21.4611 -20.8403 -20.8403 -20.8318 -20.8318 -20.7977 -20.7977 -20.7895 -20.7895 -0.5989 -0.5989 1.1167 1.1167 5.3662 5.3662 5.9975 5.9975 7.2841 7.2841 8.8492 8.8492 9.1223 9.1223 10.4844 10.4844 11.7185 11.7185 13.1468 13.1468 13.1720 13.1720 13.4062 13.4062 13.5195 13.5195 13.5659 13.5659 k = 0.5000 0.2887 0.0122 ( 6634 PWs) bands (ev): -44.7000 -44.7000 -44.6981 -44.6981 -21.4690 -21.4690 -21.4611 -21.4611 -20.8403 -20.8403 -20.8318 -20.8318 -20.7977 -20.7977 -20.7895 -20.7895 -0.6023 -0.6023 1.1256 1.1256 5.3597 5.3597 5.9843 5.9843 7.2913 7.2913 8.8484 8.8484 9.1235 9.1235 10.4889 10.4889 11.7262 11.7262 13.1493 13.1493 13.1842 13.1842 13.4076 13.4076 13.5228 13.5228 13.5582 13.5582 k = 0.5000 0.2887-0.0000 ( 6636 PWs) bands (ev): -44.7000 -44.7000 -44.6981 -44.6981 -21.4690 -21.4690 -21.4611 -21.4611 -20.8403 -20.8403 -20.8317 -20.8317 -20.7977 -20.7977 -20.7895 -20.7895 -0.6034 -0.6034 1.1286 1.1286 5.3575 5.3575 5.9798 5.9798 7.2937 7.2937 8.8481 8.8481 9.1239 9.1239 10.4903 10.4903 11.7288 11.7288 13.1502 13.1502 13.1882 13.1882 13.4081 13.4081 13.5240 13.5240 13.5557 13.5557 k = 0.3333 0.5774-0.0000 ( 6648 PWs) bands (ev): -44.6988 -44.6988 -44.6987 -44.6987 -21.4697 -21.4697 -21.4627 -21.4627 -20.8368 -20.8368 -20.8305 -20.8305 -20.8053 -20.8053 -20.7948 -20.7948 -0.4331 -0.4331 1.2321 1.2321 6.0334 6.0334 6.3376 6.3376 6.6761 6.6761 7.5856 7.5856 7.9088 7.9088 11.2824 11.2824 12.1568 12.1568 12.2086 12.2086 13.2998 13.2998 13.3126 13.3126 13.6031 13.6031 14.1826 14.1826 k = 0.3333 0.5774 0.0122 ( 6648 PWs) bands (ev): -44.6988 -44.6988 -44.6987 -44.6987 -21.4697 -21.4697 -21.4627 -21.4627 -20.8368 -20.8368 -20.8305 -20.8305 -20.8053 -20.8053 -20.7948 -20.7948 -0.4320 -0.4320 1.2294 1.2294 6.0385 6.0385 6.3383 6.3383 6.6767 6.6768 7.5849 7.5849 7.9077 7.9077 11.2757 11.2757 12.1578 12.1578 12.2098 12.2098 13.2989 13.2989 13.3118 13.3118 13.6057 13.6057 14.1835 14.1835 k = 0.3333 0.5774 0.0244 ( 6651 PWs) bands (ev): -44.6988 -44.6988 -44.6987 -44.6987 -21.4697 -21.4697 -21.4627 -21.4627 -20.8368 -20.8368 -20.8305 -20.8305 -20.8053 -20.8053 -20.7948 -20.7948 -0.4287 -0.4287 1.2210 1.2210 6.0536 6.0536 6.3404 6.3404 6.6787 6.6787 7.5826 7.5826 7.9047 7.9047 11.2559 11.2559 12.1610 12.1610 12.2135 12.2135 13.2962 13.2962 13.3092 13.3092 13.6134 13.6134 14.1860 14.1860 k = 0.3333 0.5774 0.0366 ( 6645 PWs) bands (ev): -44.6988 -44.6988 -44.6987 -44.6987 -21.4697 -21.4697 -21.4627 -21.4627 -20.8369 -20.8369 -20.8305 -20.8305 -20.8054 -20.8054 -20.7947 -20.7947 -0.4232 -0.4232 1.2073 1.2073 6.0784 6.0784 6.3438 6.3438 6.6820 6.6820 7.5790 7.5790 7.8996 7.8996 11.2233 11.2233 12.1663 12.1663 12.2195 12.2195 13.2918 13.2918 13.3050 13.3050 13.6259 13.6259 14.1901 14.1901 k = 0.3333 0.5774 0.0488 ( 6645 PWs) bands (ev): -44.6988 -44.6988 -44.6987 -44.6987 -21.4697 -21.4697 -21.4627 -21.4627 -20.8369 -20.8369 -20.8304 -20.8304 -20.8054 -20.8054 -20.7945 -20.7945 -0.4156 -0.4156 1.1884 1.1884 6.1127 6.1127 6.3488 6.3488 6.6865 6.6865 7.5739 7.5739 7.8926 7.8926 11.1782 11.1782 12.1738 12.1738 12.2279 12.2279 13.2856 13.2856 13.2991 13.2991 13.6428 13.6428 14.1959 14.1959 k = 0.3333 0.5774 0.0610 ( 6639 PWs) bands (ev): -44.6988 -44.6988 -44.6987 -44.6987 -21.4697 -21.4697 -21.4628 -21.4628 -20.8370 -20.8370 -20.8304 -20.8304 -20.8055 -20.8055 -20.7944 -20.7944 -0.4057 -0.4057 1.1645 1.1645 6.1558 6.1558 6.3556 6.3556 6.6923 6.6923 7.5677 7.5677 7.8837 7.8837 11.1213 11.1213 12.1835 12.1835 12.2386 12.2386 13.2777 13.2777 13.2916 13.2916 13.6635 13.6635 14.2029 14.2029 k = 0.3333 0.5774 0.0732 ( 6636 PWs) bands (ev): -44.6988 -44.6988 -44.6987 -44.6987 -21.4697 -21.4697 -21.4628 -21.4628 -20.8371 -20.8371 -20.8304 -20.8304 -20.8055 -20.8055 -20.7942 -20.7942 -0.3937 -0.3937 1.1360 1.1360 6.2065 6.2065 6.3649 6.3649 6.6994 6.6994 7.5604 7.5604 7.8730 7.8730 11.0532 11.0532 12.1953 12.1953 12.2515 12.2515 13.2681 13.2681 13.2826 13.2826 13.6877 13.6877 14.2071 14.2071 k = 0.3333 0.5774 0.0854 ( 6639 PWs) bands (ev): -44.6988 -44.6988 -44.6987 -44.6987 -21.4697 -21.4697 -21.4628 -21.4628 -20.8372 -20.8372 -20.8304 -20.8304 -20.8056 -20.8056 -20.7940 -20.7940 -0.3795 -0.3795 1.1033 1.1033 6.2620 6.2620 6.3788 6.3788 6.7075 6.7075 7.5522 7.5522 7.8606 7.8606 10.9747 10.9747 12.2091 12.2091 12.2666 12.2666 13.2569 13.2569 13.2720 13.2720 13.7145 13.7145 14.1510 14.1510 k = 0.3333 0.5774 0.0976 ( 6633 PWs) bands (ev): -44.6988 -44.6988 -44.6987 -44.6987 -21.4697 -21.4697 -21.4628 -21.4628 -20.8374 -20.8374 -20.8304 -20.8304 -20.8057 -20.8057 -20.7938 -20.7938 -0.3632 -0.3632 1.0667 1.0667 6.3148 6.3148 6.4043 6.4043 6.7167 6.7167 7.5435 7.5435 7.8467 7.8467 10.8866 10.8866 12.2251 12.2251 12.2838 12.2838 13.2442 13.2442 13.2600 13.2600 13.7435 13.7435 14.0864 14.0866 k = 0.3333 0.5774 0.1098 ( 6633 PWs) bands (ev): -44.6988 -44.6988 -44.6987 -44.6987 -21.4697 -21.4697 -21.4628 -21.4628 -20.8375 -20.8375 -20.8304 -20.8304 -20.8058 -20.8058 -20.7935 -20.7935 -0.3447 -0.3447 1.0267 1.0267 6.3509 6.3509 6.4546 6.4546 6.7270 6.7270 7.5346 7.5346 7.8314 7.8314 10.7896 10.7896 12.2430 12.2430 12.3030 12.3030 13.2299 13.2299 13.2465 13.2465 13.7741 13.7741 14.0243 14.0245 k = 0.3333 0.5774 0.1221 ( 6618 PWs) bands (ev): -44.6988 -44.6988 -44.6987 -44.6987 -21.4697 -21.4697 -21.4628 -21.4628 -20.8377 -20.8377 -20.8303 -20.8303 -20.8059 -20.8059 -20.7933 -20.7933 -0.3241 -0.3241 0.9837 0.9837 6.3715 6.3715 6.5273 6.5273 6.7382 6.7382 7.5261 7.5261 7.8149 7.8149 10.6845 10.6845 12.2627 12.2627 12.3240 12.3240 13.2142 13.2142 13.2318 13.2318 13.8057 13.8057 13.9652 13.9660 k = 0.3333 0.5774 0.1343 ( 6612 PWs) bands (ev): -44.6988 -44.6988 -44.6987 -44.6987 -21.4697 -21.4697 -21.4629 -21.4629 -20.8378 -20.8378 -20.8303 -20.8303 -20.8060 -20.8060 -20.7930 -20.7930 -0.3014 -0.3014 0.9382 0.9382 6.3865 6.3865 6.6116 6.6116 6.7502 6.7502 7.5186 7.5186 7.7974 7.7974 10.5720 10.5720 12.2841 12.2841 12.3468 12.3468 13.1971 13.1971 13.2157 13.2157 13.8371 13.8371 13.9102 13.9102 k = 0.3333 0.5774 0.1465 ( 6612 PWs) bands (ev): -44.6988 -44.6988 -44.6987 -44.6987 -21.4697 -21.4697 -21.4629 -21.4629 -20.8380 -20.8380 -20.8303 -20.8303 -20.8061 -20.8061 -20.7928 -20.7928 -0.2766 -0.2766 0.8904 0.8904 6.3999 6.3999 6.7020 6.7020 6.7628 6.7628 7.5134 7.5134 7.7791 7.7791 10.4530 10.4530 12.3072 12.3072 12.3712 12.3712 13.1786 13.1786 13.1984 13.1984 13.8483 13.8483 13.8673 13.8674 k = 0.3333 0.5774 0.1587 ( 6624 PWs) bands (ev): -44.6988 -44.6988 -44.6987 -44.6987 -21.4697 -21.4697 -21.4629 -21.4629 -20.8381 -20.8381 -20.8303 -20.8303 -20.8062 -20.8062 -20.7925 -20.7925 -0.2498 -0.2498 0.8409 0.8409 6.4126 6.4126 6.7761 6.7761 6.7954 6.7954 7.5119 7.5119 7.7603 7.7603 10.3280 10.3280 12.3316 12.3316 12.3970 12.3970 13.1589 13.1589 13.1799 13.1799 13.8038 13.8038 13.8153 13.8153 k = 0.3333 0.5774 0.1709 ( 6630 PWs) bands (ev): -44.6988 -44.6988 -44.6987 -44.6987 -21.4697 -21.4697 -21.4629 -21.4629 -20.8383 -20.8383 -20.8302 -20.8302 -20.8063 -20.8063 -20.7923 -20.7923 -0.2210 -0.2210 0.7899 0.7899 6.4251 6.4251 6.7897 6.7897 6.8885 6.8885 7.5167 7.5167 7.7411 7.7411 10.1978 10.1978 12.3573 12.3573 12.4241 12.4241 13.1380 13.1380 13.1602 13.1602 13.7584 13.7584 13.7668 13.7668 k = 0.3333 0.5774 0.1831 ( 6630 PWs) bands (ev): -44.6988 -44.6988 -44.6987 -44.6987 -21.4697 -21.4697 -21.4630 -21.4630 -20.8384 -20.8384 -20.8302 -20.8302 -20.8064 -20.8064 -20.7920 -20.7920 -0.1901 -0.1901 0.7379 0.7379 6.4374 6.4374 6.8035 6.8035 6.9767 6.9767 7.5320 7.5320 7.7219 7.7219 10.0630 10.0630 12.3840 12.3840 12.4523 12.4523 13.1160 13.1160 13.1395 13.1395 13.7163 13.7163 13.7219 13.7219 k = 0.3333 0.5774 0.1953 ( 6636 PWs) bands (ev): -44.6988 -44.6988 -44.6987 -44.6987 -21.4697 -21.4697 -21.4630 -21.4630 -20.8386 -20.8386 -20.8302 -20.8302 -20.8064 -20.8064 -20.7918 -20.7918 -0.1573 -0.1573 0.6851 0.6851 6.4494 6.4494 6.8173 6.8173 7.0543 7.0543 7.5632 7.5632 7.7029 7.7029 9.9242 9.9242 12.4115 12.4115 12.4814 12.4814 13.0931 13.0931 13.1177 13.1177 13.6778 13.6778 13.6809 13.6809 k = 0.3333 0.5774 0.2075 ( 6636 PWs) bands (ev): -44.6988 -44.6988 -44.6987 -44.6987 -21.4697 -21.4697 -21.4630 -21.4630 -20.8387 -20.8387 -20.8302 -20.8302 -20.8065 -20.8065 -20.7916 -20.7916 -0.1226 -0.1226 0.6319 0.6319 6.4610 6.4610 6.8308 6.8308 7.1152 7.1152 7.6161 7.6161 7.6845 7.6845 9.7821 9.7821 12.4395 12.4395 12.5110 12.5110 13.0694 13.0694 13.0950 13.0950 13.6431 13.6431 13.6438 13.6438 k = 0.3333 0.5774 0.2197 ( 6636 PWs) bands (ev): -44.6988 -44.6988 -44.6987 -44.6987 -21.4697 -21.4697 -21.4630 -21.4630 -20.8389 -20.8389 -20.8301 -20.8301 -20.8066 -20.8066 -20.7914 -20.7914 -0.0861 -0.0861 0.5784 0.5784 6.4720 6.4720 6.8438 6.8438 7.1569 7.1569 7.6670 7.6670 7.6931 7.6931 9.6372 9.6372 12.4675 12.4675 12.5409 12.5409 13.0453 13.0453 13.0716 13.0716 13.6108 13.6108 13.6124 13.6124 k = 0.3333 0.5774 0.2319 ( 6639 PWs) bands (ev): -44.6988 -44.6988 -44.6987 -44.6987 -21.4697 -21.4697 -21.4630 -21.4630 -20.8390 -20.8390 -20.8301 -20.8301 -20.8066 -20.8066 -20.7913 -20.7913 -0.0477 -0.0477 0.5250 0.5250 6.4822 6.4822 6.8559 6.8559 7.1819 7.1819 7.6508 7.6508 7.7913 7.7913 9.4901 9.4901 12.4952 12.4952 12.5707 12.5707 13.0211 13.0211 13.0477 13.0477 13.5819 13.5819 13.5857 13.5857 k = 0.3333 0.5774 0.2441 ( 6633 PWs) bands (ev): -44.6988 -44.6988 -44.6987 -44.6987 -21.4697 -21.4697 -21.4630 -21.4630 -20.8391 -20.8391 -20.8301 -20.8301 -20.8067 -20.8067 -20.7911 -20.7911 -0.0076 -0.0076 0.4719 0.4719 6.4913 6.4913 6.8670 6.8670 7.1953 7.1953 7.6363 7.6363 7.9056 7.9056 9.3414 9.3414 12.5219 12.5219 12.5998 12.5998 12.9973 12.9973 13.0237 13.0237 13.5574 13.5574 13.5631 13.5631 k = 0.3333 0.5774 0.2563 ( 6636 PWs) bands (ev): -44.6988 -44.6988 -44.6987 -44.6987 -21.4697 -21.4697 -21.4631 -21.4631 -20.8391 -20.8391 -20.8301 -20.8301 -20.8067 -20.8067 -20.7910 -20.7910 0.0342 0.0342 0.4193 0.4193 6.4992 6.4992 6.8766 6.8766 7.2017 7.2017 7.6237 7.6237 8.0313 8.0313 9.1917 9.1917 12.5468 12.5468 12.6273 12.6273 12.9749 12.9749 13.0004 13.0004 13.5373 13.5373 13.5446 13.5446 k = 0.3333 0.5774 0.2685 ( 6618 PWs) bands (ev): -44.6988 -44.6988 -44.6987 -44.6987 -21.4697 -21.4697 -21.4631 -21.4631 -20.8392 -20.8392 -20.8301 -20.8301 -20.8067 -20.8067 -20.7909 -20.7909 0.0777 0.0777 0.3673 0.3673 6.5056 6.5056 6.8845 6.8845 7.2043 7.2043 7.6135 7.6135 8.1648 8.1648 9.0414 9.0414 12.5687 12.5687 12.6522 12.6522 12.9548 12.9548 12.9788 12.9788 13.5216 13.5216 13.5302 13.5302 k = 0.3333 0.5774 0.2807 ( 6594 PWs) bands (ev): -44.6988 -44.6988 -44.6987 -44.6987 -21.4697 -21.4697 -21.4631 -21.4631 -20.8392 -20.8392 -20.8301 -20.8301 -20.8068 -20.8068 -20.7908 -20.7908 0.1226 0.1226 0.3162 0.3162 6.5103 6.5103 6.8903 6.8903 7.2050 7.2050 7.6060 7.6060 8.3039 8.3039 8.8912 8.8912 12.5863 12.5863 12.6728 12.6728 12.9386 12.9386 12.9607 12.9607 13.5104 13.5104 13.5199 13.5199 k = 0.3333 0.5774 0.2929 ( 6600 PWs) bands (ev): -44.6988 -44.6988 -44.6987 -44.6987 -21.4697 -21.4697 -21.4631 -21.4631 -20.8393 -20.8393 -20.8301 -20.8301 -20.8068 -20.8068 -20.7908 -20.7908 0.1690 0.1690 0.2661 0.2661 6.5132 6.5132 6.8939 6.8939 7.2050 7.2050 7.6013 7.6013 8.4470 8.4470 8.7417 8.7417 12.5978 12.5978 12.6866 12.6866 12.9279 12.9279 12.9483 12.9483 13.5037 13.5037 13.5138 13.5138 k = 0.3333 0.5774 0.3051 ( 6594 PWs) bands (ev): -44.6988 -44.6988 -44.6987 -44.6987 -21.4697 -21.4697 -21.4631 -21.4631 -20.8393 -20.8393 -20.8301 -20.8301 -20.8068 -20.8068 -20.7908 -20.7908 0.2130 0.2130 0.2209 0.2209 6.5141 6.5141 6.8951 6.8951 7.2049 7.2049 7.5998 7.5998 8.5866 8.5866 8.6001 8.6001 12.6018 12.6018 12.6916 12.6916 12.9242 12.9242 12.9438 12.9438 13.5014 13.5014 13.5117 13.5117 Writing output data file TiTe.save init_run : 0.36s CPU 0.48s WALL ( 1 calls) electrons : 284.30s CPU 290.25s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 284.30s CPU 290.24s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.09s WALL ( 344 calls) cegterg : 272.52s CPU 276.11s WALL ( 837 calls) Called by sum_band: Called by *egterg: h_psi : 158.03s CPU 160.72s WALL ( 14534 calls) s_psi : 6.66s CPU 6.83s WALL ( 14534 calls) g_psi : 0.56s CPU 0.63s WALL ( 13353 calls) cdiaghg : 78.69s CPU 79.44s WALL ( 13697 calls) cegterg:over : 12.64s CPU 12.68s WALL ( 13353 calls) cegterg:upda : 12.55s CPU 12.78s WALL ( 13353 calls) cegterg:last : 6.07s CPU 6.15s WALL ( 2338 calls) cdiaghg:chol : 4.56s CPU 4.58s WALL ( 13697 calls) cdiaghg:inve : 2.55s CPU 2.64s WALL ( 13697 calls) cdiaghg:para : 4.41s CPU 4.56s WALL ( 27394 calls) Called by h_psi: h_psi:vloc : 136.71s CPU 139.01s WALL ( 14534 calls) h_psi:vnl : 20.75s CPU 21.11s WALL ( 14534 calls) add_vuspsi : 10.76s CPU 10.98s WALL ( 14534 calls) General routines calbec : 9.96s CPU 10.08s WALL ( 14534 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 129.93s CPU 131.94s WALL ( 1255332 calls) davcio : 0.22s CPU 0.30s WALL ( 688 calls) Parallel routines fft_scatter : 43.85s CPU 44.11s WALL ( 1255347 calls) PWSCF : 5m 2.76s CPU 5m21.97s WALL This run was terminated on: 21:23:12 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=