Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:58:21 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: ./SrF2.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 32 20 5 1132 562 87 Max 33 21 6 1139 575 96 Sum 1159 745 211 40847 20405 3329 bravais-lattice index = 14 lattice parameter (alat) = 7.3057 a.u. unit-cell volume = 427.2170 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.305681 celldm(2)= 1.000000 celldm(3)= 1.265132 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 1.265132 ) 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 0.790431 ) PseudoPot. # 1 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential F 7.00 18.99840 F( 1.00) Sr 10.00 87.62000 Sr( 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 ) ( -0.6325660 ) 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 ) ( 0.6325660 ) 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 ) ( -0.6325660 ) 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 ) ( -0.6325660 ) 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 ) ( 0.6325660 ) 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 ) ( 0.6325660 ) 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 ) ( 0.6325660 ) 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 ) ( -0.6325660 ) 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 ) ( 0.6325660 ) 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 ) ( 0.6325660 ) 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 ) ( -0.6325660 ) 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 ) ( -0.6325660 ) 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= 368 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 2) = ( 0.0106383 0.0061420 -0.0000000), wk = 0.0027174 k( 3) = ( 0.0212766 0.0122841 -0.0000000), wk = 0.0027174 k( 4) = ( 0.0319149 0.0184261 -0.0000000), wk = 0.0027174 k( 5) = ( 0.0425532 0.0245681 -0.0000000), wk = 0.0027174 k( 6) = ( 0.0531915 0.0307101 -0.0000000), wk = 0.0027174 k( 7) = ( 0.0638298 0.0368521 -0.0000000), wk = 0.0027174 k( 8) = ( 0.0744681 0.0429942 -0.0000000), wk = 0.0027174 k( 9) = ( 0.0851064 0.0491362 -0.0000000), wk = 0.0027174 k( 10) = ( 0.0957447 0.0552782 -0.0000000), wk = 0.0027174 k( 11) = ( 0.1063830 0.0614202 -0.0000000), wk = 0.0027174 k( 12) = ( 0.1170213 0.0675623 -0.0000000), wk = 0.0027174 k( 13) = ( 0.1276596 0.0737043 -0.0000000), wk = 0.0027174 k( 14) = ( 0.1382979 0.0798463 -0.0000000), wk = 0.0027174 k( 15) = ( 0.1489362 0.0859883 -0.0000000), wk = 0.0027174 k( 16) = ( 0.1595745 0.0921304 -0.0000000), wk = 0.0027174 k( 17) = ( 0.1702128 0.0982724 -0.0000000), wk = 0.0027174 k( 18) = ( 0.1808511 0.1044144 -0.0000000), wk = 0.0027174 k( 19) = ( 0.1914894 0.1105564 -0.0000000), wk = 0.0027174 k( 20) = ( 0.2021277 0.1166985 -0.0000000), wk = 0.0027174 k( 21) = ( 0.2127660 0.1228405 -0.0000000), wk = 0.0027174 k( 22) = ( 0.2234043 0.1289825 -0.0000000), wk = 0.0027174 k( 23) = ( 0.2340425 0.1351245 -0.0000000), wk = 0.0027174 k( 24) = ( 0.2446809 0.1412666 -0.0000000), wk = 0.0027174 k( 25) = ( 0.2553191 0.1474086 -0.0000000), wk = 0.0027174 k( 26) = ( 0.2659574 0.1535506 -0.0000000), wk = 0.0027174 k( 27) = ( 0.2765957 0.1596926 -0.0000000), wk = 0.0027174 k( 28) = ( 0.2872340 0.1658347 -0.0000000), wk = 0.0027174 k( 29) = ( 0.2978723 0.1719767 -0.0000000), wk = 0.0027174 k( 30) = ( 0.3085106 0.1781187 -0.0000000), wk = 0.0027174 k( 31) = ( 0.3191489 0.1842607 -0.0000000), wk = 0.0027174 k( 32) = ( 0.3297872 0.1904027 -0.0000000), wk = 0.0027174 k( 33) = ( 0.3404255 0.1965448 -0.0000000), wk = 0.0027174 k( 34) = ( 0.3510638 0.2026868 -0.0000000), wk = 0.0027174 k( 35) = ( 0.3617021 0.2088288 -0.0000000), wk = 0.0027174 k( 36) = ( 0.3723404 0.2149708 -0.0000000), wk = 0.0027174 k( 37) = ( 0.3829787 0.2211129 -0.0000000), wk = 0.0027174 k( 38) = ( 0.3936170 0.2272549 -0.0000000), wk = 0.0027174 k( 39) = ( 0.4042553 0.2333969 -0.0000000), wk = 0.0027174 k( 40) = ( 0.4148936 0.2395389 -0.0000000), wk = 0.0027174 k( 41) = ( 0.4255319 0.2456810 -0.0000000), wk = 0.0027174 k( 42) = ( 0.4361702 0.2518230 -0.0000000), wk = 0.0027174 k( 43) = ( 0.4468085 0.2579650 -0.0000000), wk = 0.0027174 k( 44) = ( 0.4574468 0.2641070 -0.0000000), wk = 0.0027174 k( 45) = ( 0.4680851 0.2702491 -0.0000000), wk = 0.0027174 k( 46) = ( 0.4787234 0.2763911 -0.0000000), wk = 0.0027174 k( 47) = ( 0.4893617 0.2825331 -0.0000000), wk = 0.0027174 k( 48) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027174 k( 49) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027174 k( 50) = ( 0.4940476 0.2989850 -0.0000000), wk = 0.0027174 k( 51) = ( 0.4880952 0.3092948 -0.0000000), wk = 0.0027174 k( 52) = ( 0.4821429 0.3196046 -0.0000000), wk = 0.0027174 k( 53) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0027174 k( 54) = ( 0.4702381 0.3402243 -0.0000000), wk = 0.0027174 k( 55) = ( 0.4642857 0.3505341 -0.0000000), wk = 0.0027174 k( 56) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0027174 k( 57) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0027174 k( 58) = ( 0.4464286 0.3814636 -0.0000000), wk = 0.0027174 k( 59) = ( 0.4404762 0.3917734 -0.0000000), wk = 0.0027174 k( 60) = ( 0.4345238 0.4020832 -0.0000000), wk = 0.0027174 k( 61) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0027174 k( 62) = ( 0.4226190 0.4227029 -0.0000000), wk = 0.0027174 k( 63) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0027174 k( 64) = ( 0.4107143 0.4433225 -0.0000000), wk = 0.0027174 k( 65) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0027174 k( 66) = ( 0.3988095 0.4639422 -0.0000000), wk = 0.0027174 k( 67) = ( 0.3928571 0.4742520 -0.0000000), wk = 0.0027174 k( 68) = ( 0.3869048 0.4845618 -0.0000000), wk = 0.0027174 k( 69) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0027174 k( 70) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0027174 k( 71) = ( 0.3690476 0.5154913 -0.0000000), wk = 0.0027174 k( 72) = ( 0.3630952 0.5258011 -0.0000000), wk = 0.0027174 k( 73) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0027174 k( 74) = ( 0.3511905 0.5464208 -0.0000000), wk = 0.0027174 k( 75) = ( 0.3452381 0.5567306 -0.0000000), wk = 0.0027174 k( 76) = ( 0.3392857 0.5670404 -0.0000000), wk = 0.0027174 k( 77) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027174 k( 78) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027174 k( 79) = ( 0.3272727 0.5668530 -0.0000000), wk = 0.0027174 k( 80) = ( 0.3212121 0.5563557 -0.0000000), wk = 0.0027174 k( 81) = ( 0.3151515 0.5458584 -0.0000000), wk = 0.0027174 k( 82) = ( 0.3090909 0.5353612 -0.0000000), wk = 0.0027174 k( 83) = ( 0.3030303 0.5248639 -0.0000000), wk = 0.0027174 k( 84) = ( 0.2969697 0.5143666 -0.0000000), wk = 0.0027174 k( 85) = ( 0.2909091 0.5038693 -0.0000000), wk = 0.0027174 k( 86) = ( 0.2848485 0.4933720 -0.0000000), wk = 0.0027174 k( 87) = ( 0.2787879 0.4828748 -0.0000000), wk = 0.0027174 k( 88) = ( 0.2727273 0.4723775 -0.0000000), wk = 0.0027174 k( 89) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0027174 k( 90) = ( 0.2606061 0.4513829 -0.0000000), wk = 0.0027174 k( 91) = ( 0.2545455 0.4408857 -0.0000000), wk = 0.0027174 k( 92) = ( 0.2484849 0.4303884 -0.0000000), wk = 0.0027174 k( 93) = ( 0.2424242 0.4198911 -0.0000000), wk = 0.0027174 k( 94) = ( 0.2363636 0.4093938 -0.0000000), wk = 0.0027174 k( 95) = ( 0.2303030 0.3988965 -0.0000000), wk = 0.0027174 k( 96) = ( 0.2242424 0.3883993 -0.0000000), wk = 0.0027174 k( 97) = ( 0.2181818 0.3779020 -0.0000000), wk = 0.0027174 k( 98) = ( 0.2121212 0.3674047 -0.0000000), wk = 0.0027174 k( 99) = ( 0.2060606 0.3569074 -0.0000000), wk = 0.0027174 k( 100) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0027174 k( 101) = ( 0.1939394 0.3359129 -0.0000000), wk = 0.0027174 k( 102) = ( 0.1878788 0.3254156 -0.0000000), wk = 0.0027174 k( 103) = ( 0.1818182 0.3149183 -0.0000000), wk = 0.0027174 k( 104) = ( 0.1757576 0.3044211 -0.0000000), wk = 0.0027174 k( 105) = ( 0.1696970 0.2939238 -0.0000000), wk = 0.0027174 k( 106) = ( 0.1636364 0.2834265 -0.0000000), wk = 0.0027174 k( 107) = ( 0.1575758 0.2729292 -0.0000000), wk = 0.0027174 k( 108) = ( 0.1515151 0.2624319 -0.0000000), wk = 0.0027174 k( 109) = ( 0.1454545 0.2519347 -0.0000000), wk = 0.0027174 k( 110) = ( 0.1393939 0.2414374 -0.0000000), wk = 0.0027174 k( 111) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0027174 k( 112) = ( 0.1272727 0.2204428 -0.0000000), wk = 0.0027174 k( 113) = ( 0.1212121 0.2099456 -0.0000000), wk = 0.0027174 k( 114) = ( 0.1151515 0.1994483 -0.0000000), wk = 0.0027174 k( 115) = ( 0.1090909 0.1889510 -0.0000000), wk = 0.0027174 k( 116) = ( 0.1030303 0.1784537 -0.0000000), wk = 0.0027174 k( 117) = ( 0.0969697 0.1679564 -0.0000000), wk = 0.0027174 k( 118) = ( 0.0909091 0.1574592 -0.0000000), wk = 0.0027174 k( 119) = ( 0.0848485 0.1469619 -0.0000000), wk = 0.0027174 k( 120) = ( 0.0787879 0.1364646 -0.0000000), wk = 0.0027174 k( 121) = ( 0.0727273 0.1259673 -0.0000000), wk = 0.0027174 k( 122) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0027174 k( 123) = ( 0.0606061 0.1049728 -0.0000000), wk = 0.0027174 k( 124) = ( 0.0545455 0.0944755 -0.0000000), wk = 0.0027174 k( 125) = ( 0.0484849 0.0839782 -0.0000000), wk = 0.0027174 k( 126) = ( 0.0424242 0.0734809 -0.0000000), wk = 0.0027174 k( 127) = ( 0.0363636 0.0629837 -0.0000000), wk = 0.0027174 k( 128) = ( 0.0303030 0.0524864 -0.0000000), wk = 0.0027174 k( 129) = ( 0.0242424 0.0419891 -0.0000000), wk = 0.0027174 k( 130) = ( 0.0181818 0.0314918 -0.0000000), wk = 0.0027174 k( 131) = ( 0.0121212 0.0209946 -0.0000000), wk = 0.0027174 k( 132) = ( 0.0060606 0.0104973 -0.0000000), wk = 0.0027174 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 135) = ( 0.0000000 0.0000000 0.0119762), wk = 0.0027174 k( 136) = ( 0.0000000 0.0000000 0.0239525), wk = 0.0027174 k( 137) = ( 0.0000000 0.0000000 0.0359287), wk = 0.0027174 k( 138) = ( 0.0000000 0.0000000 0.0479049), wk = 0.0027174 k( 139) = ( 0.0000000 0.0000000 0.0598812), wk = 0.0027174 k( 140) = ( 0.0000000 0.0000000 0.0718574), wk = 0.0027174 k( 141) = ( 0.0000000 0.0000000 0.0838336), wk = 0.0027174 k( 142) = ( 0.0000000 0.0000000 0.0958099), wk = 0.0027174 k( 143) = ( 0.0000000 0.0000000 0.1077861), wk = 0.0027174 k( 144) = ( 0.0000000 0.0000000 0.1197623), wk = 0.0027174 k( 145) = ( 0.0000000 0.0000000 0.1317386), wk = 0.0027174 k( 146) = ( 0.0000000 0.0000000 0.1437148), wk = 0.0027174 k( 147) = ( 0.0000000 0.0000000 0.1556910), wk = 0.0027174 k( 148) = ( 0.0000000 0.0000000 0.1676673), wk = 0.0027174 k( 149) = ( 0.0000000 0.0000000 0.1796435), wk = 0.0027174 k( 150) = ( 0.0000000 0.0000000 0.1916197), wk = 0.0027174 k( 151) = ( 0.0000000 0.0000000 0.2035960), wk = 0.0027174 k( 152) = ( 0.0000000 0.0000000 0.2155722), wk = 0.0027174 k( 153) = ( 0.0000000 0.0000000 0.2275484), wk = 0.0027174 k( 154) = ( 0.0000000 0.0000000 0.2395247), wk = 0.0027174 k( 155) = ( 0.0000000 0.0000000 0.2515009), wk = 0.0027174 k( 156) = ( 0.0000000 0.0000000 0.2634771), wk = 0.0027174 k( 157) = ( 0.0000000 0.0000000 0.2754534), wk = 0.0027174 k( 158) = ( 0.0000000 0.0000000 0.2874296), wk = 0.0027174 k( 159) = ( 0.0000000 0.0000000 0.2994058), wk = 0.0027174 k( 160) = ( 0.0000000 0.0000000 0.3113821), wk = 0.0027174 k( 161) = ( 0.0000000 0.0000000 0.3233583), wk = 0.0027174 k( 162) = ( 0.0000000 0.0000000 0.3353345), wk = 0.0027174 k( 163) = ( 0.0000000 0.0000000 0.3473108), wk = 0.0027174 k( 164) = ( 0.0000000 0.0000000 0.3592870), wk = 0.0027174 k( 165) = ( 0.0000000 0.0000000 0.3712632), wk = 0.0027174 k( 166) = ( 0.0000000 0.0000000 0.3832395), wk = 0.0027174 k( 167) = ( 0.0000000 0.0000000 0.3952157), wk = 0.0027174 k( 168) = ( 0.0000000 0.0000000 0.3952157), wk = 0.0027174 k( 169) = ( 0.0106383 0.0061420 0.3952157), wk = 0.0027174 k( 170) = ( 0.0212766 0.0122841 0.3952157), wk = 0.0027174 k( 171) = ( 0.0319149 0.0184261 0.3952157), wk = 0.0027174 k( 172) = ( 0.0425532 0.0245681 0.3952157), wk = 0.0027174 k( 173) = ( 0.0531915 0.0307101 0.3952157), wk = 0.0027174 k( 174) = ( 0.0638298 0.0368521 0.3952157), wk = 0.0027174 k( 175) = ( 0.0744681 0.0429942 0.3952157), wk = 0.0027174 k( 176) = ( 0.0851064 0.0491362 0.3952157), wk = 0.0027174 k( 177) = ( 0.0957447 0.0552782 0.3952157), wk = 0.0027174 k( 178) = ( 0.1063830 0.0614202 0.3952157), wk = 0.0027174 k( 179) = ( 0.1170213 0.0675623 0.3952157), wk = 0.0027174 k( 180) = ( 0.1276596 0.0737043 0.3952157), wk = 0.0027174 k( 181) = ( 0.1382979 0.0798463 0.3952157), wk = 0.0027174 k( 182) = ( 0.1489362 0.0859883 0.3952157), wk = 0.0027174 k( 183) = ( 0.1595745 0.0921304 0.3952157), wk = 0.0027174 k( 184) = ( 0.1702128 0.0982724 0.3952157), wk = 0.0027174 k( 185) = ( 0.1808511 0.1044144 0.3952157), wk = 0.0027174 k( 186) = ( 0.1914894 0.1105564 0.3952157), wk = 0.0027174 k( 187) = ( 0.2021277 0.1166985 0.3952157), wk = 0.0027174 k( 188) = ( 0.2127660 0.1228405 0.3952157), wk = 0.0027174 k( 189) = ( 0.2234043 0.1289825 0.3952157), wk = 0.0027174 k( 190) = ( 0.2340425 0.1351245 0.3952157), wk = 0.0027174 k( 191) = ( 0.2446809 0.1412666 0.3952157), wk = 0.0027174 k( 192) = ( 0.2553191 0.1474086 0.3952157), wk = 0.0027174 k( 193) = ( 0.2659574 0.1535506 0.3952157), wk = 0.0027174 k( 194) = ( 0.2765957 0.1596926 0.3952157), wk = 0.0027174 k( 195) = ( 0.2872340 0.1658347 0.3952157), wk = 0.0027174 k( 196) = ( 0.2978723 0.1719767 0.3952157), wk = 0.0027174 k( 197) = ( 0.3085106 0.1781187 0.3952157), wk = 0.0027174 k( 198) = ( 0.3191489 0.1842607 0.3952157), wk = 0.0027174 k( 199) = ( 0.3297872 0.1904027 0.3952157), wk = 0.0027174 k( 200) = ( 0.3404255 0.1965448 0.3952157), wk = 0.0027174 k( 201) = ( 0.3510638 0.2026868 0.3952157), wk = 0.0027174 k( 202) = ( 0.3617021 0.2088288 0.3952157), wk = 0.0027174 k( 203) = ( 0.3723404 0.2149708 0.3952157), wk = 0.0027174 k( 204) = ( 0.3829787 0.2211129 0.3952157), wk = 0.0027174 k( 205) = ( 0.3936170 0.2272549 0.3952157), wk = 0.0027174 k( 206) = ( 0.4042553 0.2333969 0.3952157), wk = 0.0027174 k( 207) = ( 0.4148936 0.2395389 0.3952157), wk = 0.0027174 k( 208) = ( 0.4255319 0.2456810 0.3952157), wk = 0.0027174 k( 209) = ( 0.4361702 0.2518230 0.3952157), wk = 0.0027174 k( 210) = ( 0.4468085 0.2579650 0.3952157), wk = 0.0027174 k( 211) = ( 0.4574468 0.2641070 0.3952157), wk = 0.0027174 k( 212) = ( 0.4680851 0.2702491 0.3952157), wk = 0.0027174 k( 213) = ( 0.4787234 0.2763911 0.3952157), wk = 0.0027174 k( 214) = ( 0.4893617 0.2825331 0.3952157), wk = 0.0027174 k( 215) = ( 0.5000000 0.2886751 0.3952157), wk = 0.0027174 k( 216) = ( 0.5000000 0.2886751 0.3952157), wk = 0.0027174 k( 217) = ( 0.4940476 0.2989850 0.3952157), wk = 0.0027174 k( 218) = ( 0.4880952 0.3092948 0.3952157), wk = 0.0027174 k( 219) = ( 0.4821429 0.3196046 0.3952157), wk = 0.0027174 k( 220) = ( 0.4761905 0.3299144 0.3952157), wk = 0.0027174 k( 221) = ( 0.4702381 0.3402243 0.3952157), wk = 0.0027174 k( 222) = ( 0.4642857 0.3505341 0.3952157), wk = 0.0027174 k( 223) = ( 0.4583333 0.3608439 0.3952157), wk = 0.0027174 k( 224) = ( 0.4523810 0.3711537 0.3952157), wk = 0.0027174 k( 225) = ( 0.4464286 0.3814636 0.3952157), wk = 0.0027174 k( 226) = ( 0.4404762 0.3917734 0.3952157), wk = 0.0027174 k( 227) = ( 0.4345238 0.4020832 0.3952157), wk = 0.0027174 k( 228) = ( 0.4285714 0.4123930 0.3952157), wk = 0.0027174 k( 229) = ( 0.4226190 0.4227029 0.3952157), wk = 0.0027174 k( 230) = ( 0.4166667 0.4330127 0.3952157), wk = 0.0027174 k( 231) = ( 0.4107143 0.4433225 0.3952157), wk = 0.0027174 k( 232) = ( 0.4047619 0.4536324 0.3952157), wk = 0.0027174 k( 233) = ( 0.3988095 0.4639422 0.3952157), wk = 0.0027174 k( 234) = ( 0.3928571 0.4742520 0.3952157), wk = 0.0027174 k( 235) = ( 0.3869048 0.4845618 0.3952157), wk = 0.0027174 k( 236) = ( 0.3809524 0.4948717 0.3952157), wk = 0.0027174 k( 237) = ( 0.3750000 0.5051815 0.3952157), wk = 0.0027174 k( 238) = ( 0.3690476 0.5154913 0.3952157), wk = 0.0027174 k( 239) = ( 0.3630952 0.5258011 0.3952157), wk = 0.0027174 k( 240) = ( 0.3571429 0.5361110 0.3952157), wk = 0.0027174 k( 241) = ( 0.3511905 0.5464208 0.3952157), wk = 0.0027174 k( 242) = ( 0.3452381 0.5567306 0.3952157), wk = 0.0027174 k( 243) = ( 0.3392857 0.5670404 0.3952157), wk = 0.0027174 k( 244) = ( 0.3333333 0.5773503 0.3952157), wk = 0.0027174 k( 245) = ( 0.3333333 0.5773503 0.3952157), wk = 0.0027174 k( 246) = ( 0.3272727 0.5668530 0.3952157), wk = 0.0027174 k( 247) = ( 0.3212121 0.5563557 0.3952157), wk = 0.0027174 k( 248) = ( 0.3151515 0.5458584 0.3952157), wk = 0.0027174 k( 249) = ( 0.3090909 0.5353612 0.3952157), wk = 0.0027174 k( 250) = ( 0.3030303 0.5248639 0.3952157), wk = 0.0027174 k( 251) = ( 0.2969697 0.5143666 0.3952157), wk = 0.0027174 k( 252) = ( 0.2909091 0.5038693 0.3952157), wk = 0.0027174 k( 253) = ( 0.2848485 0.4933720 0.3952157), wk = 0.0027174 k( 254) = ( 0.2787879 0.4828748 0.3952157), wk = 0.0027174 k( 255) = ( 0.2727273 0.4723775 0.3952157), wk = 0.0027174 k( 256) = ( 0.2666667 0.4618802 0.3952157), wk = 0.0027174 k( 257) = ( 0.2606061 0.4513829 0.3952157), wk = 0.0027174 k( 258) = ( 0.2545455 0.4408857 0.3952157), wk = 0.0027174 k( 259) = ( 0.2484849 0.4303884 0.3952157), wk = 0.0027174 k( 260) = ( 0.2424242 0.4198911 0.3952157), wk = 0.0027174 k( 261) = ( 0.2363636 0.4093938 0.3952157), wk = 0.0027174 k( 262) = ( 0.2303030 0.3988965 0.3952157), wk = 0.0027174 k( 263) = ( 0.2242424 0.3883993 0.3952157), wk = 0.0027174 k( 264) = ( 0.2181818 0.3779020 0.3952157), wk = 0.0027174 k( 265) = ( 0.2121212 0.3674047 0.3952157), wk = 0.0027174 k( 266) = ( 0.2060606 0.3569074 0.3952157), wk = 0.0027174 k( 267) = ( 0.2000000 0.3464102 0.3952157), wk = 0.0027174 k( 268) = ( 0.1939394 0.3359129 0.3952157), wk = 0.0027174 k( 269) = ( 0.1878788 0.3254156 0.3952157), wk = 0.0027174 k( 270) = ( 0.1818182 0.3149183 0.3952157), wk = 0.0027174 k( 271) = ( 0.1757576 0.3044211 0.3952157), wk = 0.0027174 k( 272) = ( 0.1696970 0.2939238 0.3952157), wk = 0.0027174 k( 273) = ( 0.1636364 0.2834265 0.3952157), wk = 0.0027174 k( 274) = ( 0.1575758 0.2729292 0.3952157), wk = 0.0027174 k( 275) = ( 0.1515151 0.2624319 0.3952157), wk = 0.0027174 k( 276) = ( 0.1454545 0.2519347 0.3952157), wk = 0.0027174 k( 277) = ( 0.1393939 0.2414374 0.3952157), wk = 0.0027174 k( 278) = ( 0.1333333 0.2309401 0.3952157), wk = 0.0027174 k( 279) = ( 0.1272727 0.2204428 0.3952157), wk = 0.0027174 k( 280) = ( 0.1212121 0.2099456 0.3952157), wk = 0.0027174 k( 281) = ( 0.1151515 0.1994483 0.3952157), wk = 0.0027174 k( 282) = ( 0.1090909 0.1889510 0.3952157), wk = 0.0027174 k( 283) = ( 0.1030303 0.1784537 0.3952157), wk = 0.0027174 k( 284) = ( 0.0969697 0.1679564 0.3952157), wk = 0.0027174 k( 285) = ( 0.0909091 0.1574592 0.3952157), wk = 0.0027174 k( 286) = ( 0.0848485 0.1469619 0.3952157), wk = 0.0027174 k( 287) = ( 0.0787879 0.1364646 0.3952157), wk = 0.0027174 k( 288) = ( 0.0727273 0.1259673 0.3952157), wk = 0.0027174 k( 289) = ( 0.0666667 0.1154701 0.3952157), wk = 0.0027174 k( 290) = ( 0.0606061 0.1049728 0.3952157), wk = 0.0027174 k( 291) = ( 0.0545455 0.0944755 0.3952157), wk = 0.0027174 k( 292) = ( 0.0484849 0.0839782 0.3952157), wk = 0.0027174 k( 293) = ( 0.0424242 0.0734809 0.3952157), wk = 0.0027174 k( 294) = ( 0.0363636 0.0629837 0.3952157), wk = 0.0027174 k( 295) = ( 0.0303030 0.0524864 0.3952157), wk = 0.0027174 k( 296) = ( 0.0242424 0.0419891 0.3952157), wk = 0.0027174 k( 297) = ( 0.0181818 0.0314918 0.3952157), wk = 0.0027174 k( 298) = ( 0.0121212 0.0209946 0.3952157), wk = 0.0027174 k( 299) = ( 0.0060606 0.0104973 0.3952157), wk = 0.0027174 k( 300) = ( 0.0000000 0.0000000 0.3952157), wk = 0.0027174 k( 301) = ( 0.5000000 0.2886751 0.3952157), wk = 0.0027174 k( 302) = ( 0.5000000 0.2886751 0.3832395), wk = 0.0027174 k( 303) = ( 0.5000000 0.2886751 0.3712632), wk = 0.0027174 k( 304) = ( 0.5000000 0.2886751 0.3592870), wk = 0.0027174 k( 305) = ( 0.5000000 0.2886751 0.3473108), wk = 0.0027174 k( 306) = ( 0.5000000 0.2886751 0.3353345), wk = 0.0027174 k( 307) = ( 0.5000000 0.2886751 0.3233583), wk = 0.0027174 k( 308) = ( 0.5000000 0.2886751 0.3113821), wk = 0.0027174 k( 309) = ( 0.5000000 0.2886751 0.2994058), wk = 0.0027174 k( 310) = ( 0.5000000 0.2886751 0.2874296), wk = 0.0027174 k( 311) = ( 0.5000000 0.2886751 0.2754534), wk = 0.0027174 k( 312) = ( 0.5000000 0.2886751 0.2634771), wk = 0.0027174 k( 313) = ( 0.5000000 0.2886751 0.2515009), wk = 0.0027174 k( 314) = ( 0.5000000 0.2886751 0.2395247), wk = 0.0027174 k( 315) = ( 0.5000000 0.2886751 0.2275484), wk = 0.0027174 k( 316) = ( 0.5000000 0.2886751 0.2155722), wk = 0.0027174 k( 317) = ( 0.5000000 0.2886751 0.2035960), wk = 0.0027174 k( 318) = ( 0.5000000 0.2886751 0.1916197), wk = 0.0027174 k( 319) = ( 0.5000000 0.2886751 0.1796435), wk = 0.0027174 k( 320) = ( 0.5000000 0.2886751 0.1676673), wk = 0.0027174 k( 321) = ( 0.5000000 0.2886751 0.1556910), wk = 0.0027174 k( 322) = ( 0.5000000 0.2886751 0.1437148), wk = 0.0027174 k( 323) = ( 0.5000000 0.2886751 0.1317386), wk = 0.0027174 k( 324) = ( 0.5000000 0.2886751 0.1197623), wk = 0.0027174 k( 325) = ( 0.5000000 0.2886751 0.1077861), wk = 0.0027174 k( 326) = ( 0.5000000 0.2886751 0.0958099), wk = 0.0027174 k( 327) = ( 0.5000000 0.2886751 0.0838336), wk = 0.0027174 k( 328) = ( 0.5000000 0.2886751 0.0718574), wk = 0.0027174 k( 329) = ( 0.5000000 0.2886751 0.0598812), wk = 0.0027174 k( 330) = ( 0.5000000 0.2886751 0.0479049), wk = 0.0027174 k( 331) = ( 0.5000000 0.2886751 0.0359287), wk = 0.0027174 k( 332) = ( 0.5000000 0.2886751 0.0239525), wk = 0.0027174 k( 333) = ( 0.5000000 0.2886751 0.0119762), wk = 0.0027174 k( 334) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0027174 k( 335) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0027174 k( 336) = ( 0.3333333 0.5773503 0.0119762), wk = 0.0027174 k( 337) = ( 0.3333333 0.5773503 0.0239525), wk = 0.0027174 k( 338) = ( 0.3333333 0.5773503 0.0359287), wk = 0.0027174 k( 339) = ( 0.3333333 0.5773503 0.0479049), wk = 0.0027174 k( 340) = ( 0.3333333 0.5773503 0.0598812), wk = 0.0027174 k( 341) = ( 0.3333333 0.5773503 0.0718574), wk = 0.0027174 k( 342) = ( 0.3333333 0.5773503 0.0838336), wk = 0.0027174 k( 343) = ( 0.3333333 0.5773503 0.0958099), wk = 0.0027174 k( 344) = ( 0.3333333 0.5773503 0.1077861), wk = 0.0027174 k( 345) = ( 0.3333333 0.5773503 0.1197623), wk = 0.0027174 k( 346) = ( 0.3333333 0.5773503 0.1317386), wk = 0.0027174 k( 347) = ( 0.3333333 0.5773503 0.1437148), wk = 0.0027174 k( 348) = ( 0.3333333 0.5773503 0.1556910), wk = 0.0027174 k( 349) = ( 0.3333333 0.5773503 0.1676673), wk = 0.0027174 k( 350) = ( 0.3333333 0.5773503 0.1796435), wk = 0.0027174 k( 351) = ( 0.3333333 0.5773503 0.1916197), wk = 0.0027174 k( 352) = ( 0.3333333 0.5773503 0.2035960), wk = 0.0027174 k( 353) = ( 0.3333333 0.5773503 0.2155722), wk = 0.0027174 k( 354) = ( 0.3333333 0.5773503 0.2275484), wk = 0.0027174 k( 355) = ( 0.3333333 0.5773503 0.2395247), wk = 0.0027174 k( 356) = ( 0.3333333 0.5773503 0.2515009), wk = 0.0027174 k( 357) = ( 0.3333333 0.5773503 0.2634771), wk = 0.0027174 k( 358) = ( 0.3333333 0.5773503 0.2754534), wk = 0.0027174 k( 359) = ( 0.3333333 0.5773503 0.2874296), wk = 0.0027174 k( 360) = ( 0.3333333 0.5773503 0.2994058), wk = 0.0027174 k( 361) = ( 0.3333333 0.5773503 0.3113821), wk = 0.0027174 k( 362) = ( 0.3333333 0.5773503 0.3233583), wk = 0.0027174 k( 363) = ( 0.3333333 0.5773503 0.3353345), wk = 0.0027174 k( 364) = ( 0.3333333 0.5773503 0.3473108), wk = 0.0027174 k( 365) = ( 0.3333333 0.5773503 0.3592870), wk = 0.0027174 k( 366) = ( 0.3333333 0.5773503 0.3712632), wk = 0.0027174 k( 367) = ( 0.3333333 0.5773503 0.3832395), wk = 0.0027174 k( 368) = ( 0.3333333 0.5773503 0.3952157), wk = 0.0027174 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 2) = ( 0.0106383 0.0000000 0.0000000), wk = 0.0027174 k( 3) = ( 0.0212766 0.0000000 0.0000000), wk = 0.0027174 k( 4) = ( 0.0319149 0.0000000 0.0000000), wk = 0.0027174 k( 5) = ( 0.0425532 0.0000000 0.0000000), wk = 0.0027174 k( 6) = ( 0.0531915 0.0000000 0.0000000), wk = 0.0027174 k( 7) = ( 0.0638298 -0.0000000 0.0000000), wk = 0.0027174 k( 8) = ( 0.0744681 0.0000000 0.0000000), wk = 0.0027174 k( 9) = ( 0.0851064 0.0000000 0.0000000), wk = 0.0027174 k( 10) = ( 0.0957447 0.0000000 0.0000000), wk = 0.0027174 k( 11) = ( 0.1063830 0.0000000 0.0000000), wk = 0.0027174 k( 12) = ( 0.1170213 0.0000000 -0.0000000), wk = 0.0027174 k( 13) = ( 0.1276596 0.0000000 0.0000000), wk = 0.0027174 k( 14) = ( 0.1382979 0.0000000 0.0000000), wk = 0.0027174 k( 15) = ( 0.1489362 0.0000000 0.0000000), wk = 0.0027174 k( 16) = ( 0.1595745 0.0000000 0.0000000), wk = 0.0027174 k( 17) = ( 0.1702128 0.0000000 0.0000000), wk = 0.0027174 k( 18) = ( 0.1808511 0.0000000 0.0000000), wk = 0.0027174 k( 19) = ( 0.1914894 0.0000000 0.0000000), wk = 0.0027174 k( 20) = ( 0.2021277 0.0000000 0.0000000), wk = 0.0027174 k( 21) = ( 0.2127660 0.0000000 0.0000000), wk = 0.0027174 k( 22) = ( 0.2234043 0.0000000 0.0000000), wk = 0.0027174 k( 23) = ( 0.2340425 0.0000000 -0.0000000), wk = 0.0027174 k( 24) = ( 0.2446809 0.0000000 0.0000000), wk = 0.0027174 k( 25) = ( 0.2553191 -0.0000000 0.0000000), wk = 0.0027174 k( 26) = ( 0.2659574 0.0000000 0.0000000), wk = 0.0027174 k( 27) = ( 0.2765957 0.0000000 0.0000000), wk = 0.0027174 k( 28) = ( 0.2872340 0.0000000 -0.0000000), wk = 0.0027174 k( 29) = ( 0.2978723 0.0000000 0.0000000), wk = 0.0027174 k( 30) = ( 0.3085106 0.0000000 0.0000000), wk = 0.0027174 k( 31) = ( 0.3191489 0.0000000 0.0000000), wk = 0.0027174 k( 32) = ( 0.3297872 0.0000000 0.0000000), wk = 0.0027174 k( 33) = ( 0.3404255 0.0000000 0.0000000), wk = 0.0027174 k( 34) = ( 0.3510638 0.0000000 -0.0000000), wk = 0.0027174 k( 35) = ( 0.3617021 0.0000000 0.0000000), wk = 0.0027174 k( 36) = ( 0.3723404 0.0000000 0.0000000), wk = 0.0027174 k( 37) = ( 0.3829787 0.0000000 0.0000000), wk = 0.0027174 k( 38) = ( 0.3936170 0.0000000 0.0000000), wk = 0.0027174 k( 39) = ( 0.4042553 0.0000000 0.0000000), wk = 0.0027174 k( 40) = ( 0.4148936 0.0000000 0.0000000), wk = 0.0027174 k( 41) = ( 0.4255319 0.0000000 0.0000000), wk = 0.0027174 k( 42) = ( 0.4361702 0.0000000 0.0000000), wk = 0.0027174 k( 43) = ( 0.4468085 0.0000000 0.0000000), wk = 0.0027174 k( 44) = ( 0.4574468 0.0000000 0.0000000), wk = 0.0027174 k( 45) = ( 0.4680851 0.0000000 -0.0000000), wk = 0.0027174 k( 46) = ( 0.4787234 0.0000000 0.0000000), wk = 0.0027174 k( 47) = ( 0.4893617 0.0000000 0.0000000), wk = 0.0027174 k( 48) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027174 k( 49) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027174 k( 50) = ( 0.4940476 0.0119048 0.0000000), wk = 0.0027174 k( 51) = ( 0.4880952 0.0238095 0.0000000), wk = 0.0027174 k( 52) = ( 0.4821429 0.0357143 0.0000000), wk = 0.0027174 k( 53) = ( 0.4761905 0.0476191 0.0000000), wk = 0.0027174 k( 54) = ( 0.4702381 0.0595238 0.0000000), wk = 0.0027174 k( 55) = ( 0.4642857 0.0714286 0.0000000), wk = 0.0027174 k( 56) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0027174 k( 57) = ( 0.4523810 0.0952381 0.0000000), wk = 0.0027174 k( 58) = ( 0.4464286 0.1071429 0.0000000), wk = 0.0027174 k( 59) = ( 0.4404762 0.1190476 0.0000000), wk = 0.0027174 k( 60) = ( 0.4345238 0.1309524 0.0000000), wk = 0.0027174 k( 61) = ( 0.4285714 0.1428571 0.0000000), wk = 0.0027174 k( 62) = ( 0.4226190 0.1547619 0.0000000), wk = 0.0027174 k( 63) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0027174 k( 64) = ( 0.4107143 0.1785714 0.0000000), wk = 0.0027174 k( 65) = ( 0.4047619 0.1904762 0.0000000), wk = 0.0027174 k( 66) = ( 0.3988095 0.2023810 0.0000000), wk = 0.0027174 k( 67) = ( 0.3928571 0.2142857 0.0000000), wk = 0.0027174 k( 68) = ( 0.3869048 0.2261905 0.0000000), wk = 0.0027174 k( 69) = ( 0.3809524 0.2380952 -0.0000000), wk = 0.0027174 k( 70) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0027174 k( 71) = ( 0.3690476 0.2619048 0.0000000), wk = 0.0027174 k( 72) = ( 0.3630952 0.2738095 0.0000000), wk = 0.0027174 k( 73) = ( 0.3571429 0.2857143 -0.0000000), wk = 0.0027174 k( 74) = ( 0.3511905 0.2976190 -0.0000000), wk = 0.0027174 k( 75) = ( 0.3452381 0.3095238 -0.0000000), wk = 0.0027174 k( 76) = ( 0.3392857 0.3214286 -0.0000000), wk = 0.0027174 k( 77) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027174 k( 78) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027174 k( 79) = ( 0.3272727 0.3272727 -0.0000000), wk = 0.0027174 k( 80) = ( 0.3212121 0.3212121 0.0000000), wk = 0.0027174 k( 81) = ( 0.3151515 0.3151515 -0.0000000), wk = 0.0027174 k( 82) = ( 0.3090909 0.3090909 0.0000000), wk = 0.0027174 k( 83) = ( 0.3030303 0.3030303 0.0000000), wk = 0.0027174 k( 84) = ( 0.2969697 0.2969697 0.0000000), wk = 0.0027174 k( 85) = ( 0.2909091 0.2909091 -0.0000000), wk = 0.0027174 k( 86) = ( 0.2848485 0.2848485 0.0000000), wk = 0.0027174 k( 87) = ( 0.2787879 0.2787879 0.0000000), wk = 0.0027174 k( 88) = ( 0.2727273 0.2727273 0.0000000), wk = 0.0027174 k( 89) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0027174 k( 90) = ( 0.2606061 0.2606061 -0.0000000), wk = 0.0027174 k( 91) = ( 0.2545455 0.2545454 -0.0000000), wk = 0.0027174 k( 92) = ( 0.2484849 0.2484849 0.0000000), wk = 0.0027174 k( 93) = ( 0.2424242 0.2424242 -0.0000000), wk = 0.0027174 k( 94) = ( 0.2363636 0.2363636 -0.0000000), wk = 0.0027174 k( 95) = ( 0.2303030 0.2303030 -0.0000000), wk = 0.0027174 k( 96) = ( 0.2242424 0.2242424 0.0000000), wk = 0.0027174 k( 97) = ( 0.2181818 0.2181818 -0.0000000), wk = 0.0027174 k( 98) = ( 0.2121212 0.2121212 0.0000000), wk = 0.0027174 k( 99) = ( 0.2060606 0.2060606 -0.0000000), wk = 0.0027174 k( 100) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0027174 k( 101) = ( 0.1939394 0.1939394 -0.0000000), wk = 0.0027174 k( 102) = ( 0.1878788 0.1878788 -0.0000000), wk = 0.0027174 k( 103) = ( 0.1818182 0.1818182 0.0000000), wk = 0.0027174 k( 104) = ( 0.1757576 0.1757576 -0.0000000), wk = 0.0027174 k( 105) = ( 0.1696970 0.1696970 0.0000000), wk = 0.0027174 k( 106) = ( 0.1636364 0.1636364 -0.0000000), wk = 0.0027174 k( 107) = ( 0.1575758 0.1575758 -0.0000000), wk = 0.0027174 k( 108) = ( 0.1515151 0.1515152 0.0000000), wk = 0.0027174 k( 109) = ( 0.1454545 0.1454545 -0.0000000), wk = 0.0027174 k( 110) = ( 0.1393939 0.1393939 0.0000000), wk = 0.0027174 k( 111) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0027174 k( 112) = ( 0.1272727 0.1272727 -0.0000000), wk = 0.0027174 k( 113) = ( 0.1212121 0.1212121 -0.0000000), wk = 0.0027174 k( 114) = ( 0.1151515 0.1151515 0.0000000), wk = 0.0027174 k( 115) = ( 0.1090909 0.1090909 -0.0000000), wk = 0.0027174 k( 116) = ( 0.1030303 0.1030303 0.0000000), wk = 0.0027174 k( 117) = ( 0.0969697 0.0969697 0.0000000), wk = 0.0027174 k( 118) = ( 0.0909091 0.0909091 0.0000000), wk = 0.0027174 k( 119) = ( 0.0848485 0.0848485 0.0000000), wk = 0.0027174 k( 120) = ( 0.0787879 0.0787879 -0.0000000), wk = 0.0027174 k( 121) = ( 0.0727273 0.0727273 -0.0000000), wk = 0.0027174 k( 122) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0027174 k( 123) = ( 0.0606061 0.0606061 -0.0000000), wk = 0.0027174 k( 124) = ( 0.0545455 0.0545455 -0.0000000), wk = 0.0027174 k( 125) = ( 0.0484849 0.0484849 0.0000000), wk = 0.0027174 k( 126) = ( 0.0424242 0.0424242 0.0000000), wk = 0.0027174 k( 127) = ( 0.0363636 0.0363636 0.0000000), wk = 0.0027174 k( 128) = ( 0.0303030 0.0303030 -0.0000000), wk = 0.0027174 k( 129) = ( 0.0242424 0.0242424 -0.0000000), wk = 0.0027174 k( 130) = ( 0.0181818 0.0181818 0.0000000), wk = 0.0027174 k( 131) = ( 0.0121212 0.0121212 -0.0000000), wk = 0.0027174 k( 132) = ( 0.0060606 0.0060606 -0.0000000), wk = 0.0027174 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 135) = ( 0.0000000 0.0000000 0.0151515), wk = 0.0027174 k( 136) = ( 0.0000000 0.0000000 0.0303030), wk = 0.0027174 k( 137) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0027174 k( 138) = ( 0.0000000 0.0000000 0.0606061), wk = 0.0027174 k( 139) = ( 0.0000000 0.0000000 0.0757576), wk = 0.0027174 k( 140) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0027174 k( 141) = ( 0.0000000 0.0000000 0.1060606), wk = 0.0027174 k( 142) = ( 0.0000000 0.0000000 0.1212121), wk = 0.0027174 k( 143) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0027174 k( 144) = ( 0.0000000 0.0000000 0.1515151), wk = 0.0027174 k( 145) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0027174 k( 146) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0027174 k( 147) = ( 0.0000000 0.0000000 0.1969697), wk = 0.0027174 k( 148) = ( 0.0000000 0.0000000 0.2121212), wk = 0.0027174 k( 149) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0027174 k( 150) = ( 0.0000000 0.0000000 0.2424242), wk = 0.0027174 k( 151) = ( 0.0000000 0.0000000 0.2575758), wk = 0.0027174 k( 152) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0027174 k( 153) = ( 0.0000000 0.0000000 0.2878788), wk = 0.0027174 k( 154) = ( 0.0000000 0.0000000 0.3030303), wk = 0.0027174 k( 155) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0027174 k( 156) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0027174 k( 157) = ( 0.0000000 0.0000000 0.3484849), wk = 0.0027174 k( 158) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0027174 k( 159) = ( 0.0000000 0.0000000 0.3787879), wk = 0.0027174 k( 160) = ( 0.0000000 0.0000000 0.3939394), wk = 0.0027174 k( 161) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0027174 k( 162) = ( 0.0000000 0.0000000 0.4242424), wk = 0.0027174 k( 163) = ( 0.0000000 0.0000000 0.4393939), wk = 0.0027174 k( 164) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0027174 k( 165) = ( 0.0000000 0.0000000 0.4696970), wk = 0.0027174 k( 166) = ( 0.0000000 0.0000000 0.4848485), wk = 0.0027174 k( 167) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027174 k( 168) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027174 k( 169) = ( 0.0106383 0.0000000 0.5000000), wk = 0.0027174 k( 170) = ( 0.0212766 0.0000000 0.5000000), wk = 0.0027174 k( 171) = ( 0.0319149 0.0000000 0.5000000), wk = 0.0027174 k( 172) = ( 0.0425532 0.0000000 0.5000000), wk = 0.0027174 k( 173) = ( 0.0531915 0.0000000 0.5000000), wk = 0.0027174 k( 174) = ( 0.0638298 -0.0000000 0.5000000), wk = 0.0027174 k( 175) = ( 0.0744681 0.0000000 0.5000000), wk = 0.0027174 k( 176) = ( 0.0851064 0.0000000 0.5000000), wk = 0.0027174 k( 177) = ( 0.0957447 0.0000000 0.5000000), wk = 0.0027174 k( 178) = ( 0.1063830 0.0000000 0.5000000), wk = 0.0027174 k( 179) = ( 0.1170213 0.0000000 0.5000000), wk = 0.0027174 k( 180) = ( 0.1276596 0.0000000 0.5000000), wk = 0.0027174 k( 181) = ( 0.1382979 0.0000000 0.5000000), wk = 0.0027174 k( 182) = ( 0.1489362 0.0000000 0.5000000), wk = 0.0027174 k( 183) = ( 0.1595745 0.0000000 0.5000000), wk = 0.0027174 k( 184) = ( 0.1702128 0.0000000 0.5000000), wk = 0.0027174 k( 185) = ( 0.1808511 0.0000000 0.5000000), wk = 0.0027174 k( 186) = ( 0.1914894 0.0000000 0.5000000), wk = 0.0027174 k( 187) = ( 0.2021277 0.0000000 0.5000000), wk = 0.0027174 k( 188) = ( 0.2127660 0.0000000 0.5000000), wk = 0.0027174 k( 189) = ( 0.2234043 0.0000000 0.5000000), wk = 0.0027174 k( 190) = ( 0.2340425 0.0000000 0.5000000), wk = 0.0027174 k( 191) = ( 0.2446809 0.0000000 0.5000000), wk = 0.0027174 k( 192) = ( 0.2553191 -0.0000000 0.5000000), wk = 0.0027174 k( 193) = ( 0.2659574 0.0000000 0.5000000), wk = 0.0027174 k( 194) = ( 0.2765957 0.0000000 0.5000000), wk = 0.0027174 k( 195) = ( 0.2872340 0.0000000 0.5000000), wk = 0.0027174 k( 196) = ( 0.2978723 0.0000000 0.5000000), wk = 0.0027174 k( 197) = ( 0.3085106 0.0000000 0.5000000), wk = 0.0027174 k( 198) = ( 0.3191489 0.0000000 0.5000000), wk = 0.0027174 k( 199) = ( 0.3297872 0.0000000 0.5000000), wk = 0.0027174 k( 200) = ( 0.3404255 0.0000000 0.5000000), wk = 0.0027174 k( 201) = ( 0.3510638 0.0000000 0.5000000), wk = 0.0027174 k( 202) = ( 0.3617021 0.0000000 0.5000000), wk = 0.0027174 k( 203) = ( 0.3723404 0.0000000 0.5000000), wk = 0.0027174 k( 204) = ( 0.3829787 0.0000000 0.5000000), wk = 0.0027174 k( 205) = ( 0.3936170 0.0000000 0.5000000), wk = 0.0027174 k( 206) = ( 0.4042553 0.0000000 0.5000000), wk = 0.0027174 k( 207) = ( 0.4148936 0.0000000 0.5000000), wk = 0.0027174 k( 208) = ( 0.4255319 0.0000000 0.5000000), wk = 0.0027174 k( 209) = ( 0.4361702 0.0000000 0.5000000), wk = 0.0027174 k( 210) = ( 0.4468085 0.0000000 0.5000000), wk = 0.0027174 k( 211) = ( 0.4574468 0.0000000 0.5000000), wk = 0.0027174 k( 212) = ( 0.4680851 0.0000000 0.5000000), wk = 0.0027174 k( 213) = ( 0.4787234 0.0000000 0.5000000), wk = 0.0027174 k( 214) = ( 0.4893617 0.0000000 0.5000000), wk = 0.0027174 k( 215) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027174 k( 216) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027174 k( 217) = ( 0.4940476 0.0119048 0.5000000), wk = 0.0027174 k( 218) = ( 0.4880952 0.0238095 0.5000000), wk = 0.0027174 k( 219) = ( 0.4821429 0.0357143 0.5000000), wk = 0.0027174 k( 220) = ( 0.4761905 0.0476191 0.5000000), wk = 0.0027174 k( 221) = ( 0.4702381 0.0595238 0.5000000), wk = 0.0027174 k( 222) = ( 0.4642857 0.0714286 0.5000000), wk = 0.0027174 k( 223) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0027174 k( 224) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0027174 k( 225) = ( 0.4464286 0.1071429 0.5000000), wk = 0.0027174 k( 226) = ( 0.4404762 0.1190476 0.5000000), wk = 0.0027174 k( 227) = ( 0.4345238 0.1309524 0.5000000), wk = 0.0027174 k( 228) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0027174 k( 229) = ( 0.4226190 0.1547619 0.5000000), wk = 0.0027174 k( 230) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0027174 k( 231) = ( 0.4107143 0.1785714 0.5000000), wk = 0.0027174 k( 232) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0027174 k( 233) = ( 0.3988095 0.2023810 0.5000000), wk = 0.0027174 k( 234) = ( 0.3928571 0.2142857 0.5000000), wk = 0.0027174 k( 235) = ( 0.3869048 0.2261905 0.5000000), wk = 0.0027174 k( 236) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0027174 k( 237) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0027174 k( 238) = ( 0.3690476 0.2619048 0.5000000), wk = 0.0027174 k( 239) = ( 0.3630952 0.2738095 0.5000000), wk = 0.0027174 k( 240) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0027174 k( 241) = ( 0.3511905 0.2976190 0.5000000), wk = 0.0027174 k( 242) = ( 0.3452381 0.3095238 0.5000000), wk = 0.0027174 k( 243) = ( 0.3392857 0.3214286 0.5000000), wk = 0.0027174 k( 244) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027174 k( 245) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027174 k( 246) = ( 0.3272727 0.3272727 0.5000000), wk = 0.0027174 k( 247) = ( 0.3212121 0.3212121 0.5000000), wk = 0.0027174 k( 248) = ( 0.3151515 0.3151515 0.5000000), wk = 0.0027174 k( 249) = ( 0.3090909 0.3090909 0.5000000), wk = 0.0027174 k( 250) = ( 0.3030303 0.3030303 0.5000000), wk = 0.0027174 k( 251) = ( 0.2969697 0.2969697 0.5000000), wk = 0.0027174 k( 252) = ( 0.2909091 0.2909091 0.5000000), wk = 0.0027174 k( 253) = ( 0.2848485 0.2848485 0.5000000), wk = 0.0027174 k( 254) = ( 0.2787879 0.2787879 0.5000000), wk = 0.0027174 k( 255) = ( 0.2727273 0.2727273 0.5000000), wk = 0.0027174 k( 256) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0027174 k( 257) = ( 0.2606061 0.2606061 0.5000000), wk = 0.0027174 k( 258) = ( 0.2545455 0.2545454 0.5000000), wk = 0.0027174 k( 259) = ( 0.2484849 0.2484849 0.5000000), wk = 0.0027174 k( 260) = ( 0.2424242 0.2424242 0.5000000), wk = 0.0027174 k( 261) = ( 0.2363636 0.2363636 0.5000000), wk = 0.0027174 k( 262) = ( 0.2303030 0.2303030 0.5000000), wk = 0.0027174 k( 263) = ( 0.2242424 0.2242424 0.5000000), wk = 0.0027174 k( 264) = ( 0.2181818 0.2181818 0.5000000), wk = 0.0027174 k( 265) = ( 0.2121212 0.2121212 0.5000000), wk = 0.0027174 k( 266) = ( 0.2060606 0.2060606 0.5000000), wk = 0.0027174 k( 267) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0027174 k( 268) = ( 0.1939394 0.1939394 0.5000000), wk = 0.0027174 k( 269) = ( 0.1878788 0.1878788 0.5000000), wk = 0.0027174 k( 270) = ( 0.1818182 0.1818182 0.5000000), wk = 0.0027174 k( 271) = ( 0.1757576 0.1757576 0.5000000), wk = 0.0027174 k( 272) = ( 0.1696970 0.1696970 0.5000000), wk = 0.0027174 k( 273) = ( 0.1636364 0.1636364 0.5000000), wk = 0.0027174 k( 274) = ( 0.1575758 0.1575758 0.5000000), wk = 0.0027174 k( 275) = ( 0.1515151 0.1515152 0.5000000), wk = 0.0027174 k( 276) = ( 0.1454545 0.1454545 0.5000000), wk = 0.0027174 k( 277) = ( 0.1393939 0.1393939 0.5000000), wk = 0.0027174 k( 278) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0027174 k( 279) = ( 0.1272727 0.1272727 0.5000000), wk = 0.0027174 k( 280) = ( 0.1212121 0.1212121 0.5000000), wk = 0.0027174 k( 281) = ( 0.1151515 0.1151515 0.5000000), wk = 0.0027174 k( 282) = ( 0.1090909 0.1090909 0.5000000), wk = 0.0027174 k( 283) = ( 0.1030303 0.1030303 0.5000000), wk = 0.0027174 k( 284) = ( 0.0969697 0.0969697 0.5000000), wk = 0.0027174 k( 285) = ( 0.0909091 0.0909091 0.5000000), wk = 0.0027174 k( 286) = ( 0.0848485 0.0848485 0.5000000), wk = 0.0027174 k( 287) = ( 0.0787879 0.0787879 0.5000000), wk = 0.0027174 k( 288) = ( 0.0727273 0.0727273 0.5000000), wk = 0.0027174 k( 289) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0027174 k( 290) = ( 0.0606061 0.0606061 0.5000000), wk = 0.0027174 k( 291) = ( 0.0545455 0.0545455 0.5000000), wk = 0.0027174 k( 292) = ( 0.0484849 0.0484849 0.5000000), wk = 0.0027174 k( 293) = ( 0.0424242 0.0424242 0.5000000), wk = 0.0027174 k( 294) = ( 0.0363636 0.0363636 0.5000000), wk = 0.0027174 k( 295) = ( 0.0303030 0.0303030 0.5000000), wk = 0.0027174 k( 296) = ( 0.0242424 0.0242424 0.5000000), wk = 0.0027174 k( 297) = ( 0.0181818 0.0181818 0.5000000), wk = 0.0027174 k( 298) = ( 0.0121212 0.0121212 0.5000000), wk = 0.0027174 k( 299) = ( 0.0060606 0.0060606 0.5000000), wk = 0.0027174 k( 300) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027174 k( 301) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0027174 k( 302) = ( 0.5000000 0.0000000 0.4848485), wk = 0.0027174 k( 303) = ( 0.5000000 0.0000000 0.4696970), wk = 0.0027174 k( 304) = ( 0.5000000 0.0000000 0.4545455), wk = 0.0027174 k( 305) = ( 0.5000000 0.0000000 0.4393939), wk = 0.0027174 k( 306) = ( 0.5000000 0.0000000 0.4242424), wk = 0.0027174 k( 307) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0027174 k( 308) = ( 0.5000000 0.0000000 0.3939394), wk = 0.0027174 k( 309) = ( 0.5000000 0.0000000 0.3787879), wk = 0.0027174 k( 310) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0027174 k( 311) = ( 0.5000000 0.0000000 0.3484849), wk = 0.0027174 k( 312) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0027174 k( 313) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0027174 k( 314) = ( 0.5000000 0.0000000 0.3030303), wk = 0.0027174 k( 315) = ( 0.5000000 0.0000000 0.2878788), wk = 0.0027174 k( 316) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0027174 k( 317) = ( 0.5000000 0.0000000 0.2575758), wk = 0.0027174 k( 318) = ( 0.5000000 0.0000000 0.2424242), wk = 0.0027174 k( 319) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0027174 k( 320) = ( 0.5000000 0.0000000 0.2121212), wk = 0.0027174 k( 321) = ( 0.5000000 0.0000000 0.1969697), wk = 0.0027174 k( 322) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0027174 k( 323) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0027174 k( 324) = ( 0.5000000 0.0000000 0.1515151), wk = 0.0027174 k( 325) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0027174 k( 326) = ( 0.5000000 0.0000000 0.1212121), wk = 0.0027174 k( 327) = ( 0.5000000 0.0000000 0.1060606), wk = 0.0027174 k( 328) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0027174 k( 329) = ( 0.5000000 0.0000000 0.0757576), wk = 0.0027174 k( 330) = ( 0.5000000 0.0000000 0.0606061), wk = 0.0027174 k( 331) = ( 0.5000000 0.0000000 0.0454546), wk = 0.0027174 k( 332) = ( 0.5000000 0.0000000 0.0303030), wk = 0.0027174 k( 333) = ( 0.5000000 0.0000000 0.0151515), wk = 0.0027174 k( 334) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027174 k( 335) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027174 k( 336) = ( 0.3333333 0.3333333 0.0151515), wk = 0.0027174 k( 337) = ( 0.3333333 0.3333333 0.0303030), wk = 0.0027174 k( 338) = ( 0.3333333 0.3333333 0.0454546), wk = 0.0027174 k( 339) = ( 0.3333333 0.3333333 0.0606061), wk = 0.0027174 k( 340) = ( 0.3333333 0.3333333 0.0757576), wk = 0.0027174 k( 341) = ( 0.3333333 0.3333333 0.0909091), wk = 0.0027174 k( 342) = ( 0.3333333 0.3333333 0.1060606), wk = 0.0027174 k( 343) = ( 0.3333333 0.3333333 0.1212121), wk = 0.0027174 k( 344) = ( 0.3333333 0.3333333 0.1363636), wk = 0.0027174 k( 345) = ( 0.3333333 0.3333333 0.1515151), wk = 0.0027174 k( 346) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0027174 k( 347) = ( 0.3333333 0.3333333 0.1818182), wk = 0.0027174 k( 348) = ( 0.3333333 0.3333333 0.1969697), wk = 0.0027174 k( 349) = ( 0.3333333 0.3333333 0.2121212), wk = 0.0027174 k( 350) = ( 0.3333333 0.3333333 0.2272727), wk = 0.0027174 k( 351) = ( 0.3333333 0.3333333 0.2424242), wk = 0.0027174 k( 352) = ( 0.3333333 0.3333333 0.2575758), wk = 0.0027174 k( 353) = ( 0.3333333 0.3333333 0.2727273), wk = 0.0027174 k( 354) = ( 0.3333333 0.3333333 0.2878788), wk = 0.0027174 k( 355) = ( 0.3333333 0.3333333 0.3030303), wk = 0.0027174 k( 356) = ( 0.3333333 0.3333333 0.3181818), wk = 0.0027174 k( 357) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0027174 k( 358) = ( 0.3333333 0.3333333 0.3484849), wk = 0.0027174 k( 359) = ( 0.3333333 0.3333333 0.3636364), wk = 0.0027174 k( 360) = ( 0.3333333 0.3333333 0.3787879), wk = 0.0027174 k( 361) = ( 0.3333333 0.3333333 0.3939394), wk = 0.0027174 k( 362) = ( 0.3333333 0.3333333 0.4090909), wk = 0.0027174 k( 363) = ( 0.3333333 0.3333333 0.4242424), wk = 0.0027174 k( 364) = ( 0.3333333 0.3333333 0.4393939), wk = 0.0027174 k( 365) = ( 0.3333333 0.3333333 0.4545455), wk = 0.0027174 k( 366) = ( 0.3333333 0.3333333 0.4696970), wk = 0.0027174 k( 367) = ( 0.3333333 0.3333333 0.4848485), wk = 0.0027174 k( 368) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027174 Dense grid: 40847 G-vectors FFT dimensions: ( 45, 45, 54) Smooth grid: 20405 G-vectors FFT dimensions: ( 36, 36, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 148, 58) NL pseudopotentials 0.14 Mb ( 74, 124) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1134) G-vector shells 0.00 Mb ( 532) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.52 Mb ( 148, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.22 Mb ( 124, 2, 58) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./SrF2.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.2 secs Computing kpt #: 2 total cpu time spent up to now is 2.5 secs Computing kpt #: 3 total cpu time spent up to now is 2.9 secs Computing kpt #: 4 total cpu time spent up to now is 3.3 secs Computing kpt #: 5 total cpu time spent up to now is 3.6 secs Computing kpt #: 6 total cpu time spent up to now is 4.0 secs Computing kpt #: 7 total cpu time spent up to now is 4.4 secs Computing kpt #: 8 total cpu time spent up to now is 4.7 secs Computing kpt #: 9 total cpu time spent up to now is 5.1 secs Computing kpt #: 10 total cpu time spent up to now is 5.5 secs Computing kpt #: 11 total cpu time spent up to now is 5.8 secs Computing kpt #: 12 total cpu time spent up to now is 6.2 secs Computing kpt #: 13 total cpu time spent up to now is 6.5 secs Computing kpt #: 14 total cpu time spent up to now is 6.9 secs Computing kpt #: 15 total cpu time spent up to now is 7.2 secs Computing kpt #: 16 total cpu time spent up to now is 7.6 secs Computing kpt #: 17 total cpu time spent up to now is 7.9 secs Computing kpt #: 18 total cpu time spent up to now is 8.3 secs Computing kpt #: 19 total cpu time spent up to now is 8.6 secs Computing kpt #: 20 total cpu time spent up to now is 9.0 secs Computing kpt #: 21 total cpu time spent up to now is 9.3 secs Computing kpt #: 22 total cpu time spent up to now is 9.7 secs Computing kpt #: 23 total cpu time spent up to now is 10.1 secs Computing kpt #: 24 total cpu time spent up to now is 10.5 secs Computing kpt #: 25 total cpu time spent up to now is 10.8 secs Computing kpt #: 26 total cpu time spent up to now is 11.2 secs Computing kpt #: 27 total cpu time spent up to now is 11.6 secs Computing kpt #: 28 total cpu time spent up to now is 11.9 secs Computing kpt #: 29 total cpu time spent up to now is 12.3 secs Computing kpt #: 30 total cpu time spent up to now is 12.6 secs Computing kpt #: 31 total cpu time spent up to now is 13.0 secs Computing kpt #: 32 total cpu time spent up to now is 13.3 secs Computing kpt #: 33 total cpu time spent up to now is 13.7 secs Computing kpt #: 34 total cpu time spent up to now is 14.0 secs Computing kpt #: 35 total cpu time spent up to now is 14.4 secs Computing kpt #: 36 total cpu time spent up to now is 14.7 secs Computing kpt #: 37 total cpu time spent up to now is 15.1 secs Computing kpt #: 38 total cpu time spent up to now is 15.4 secs Computing kpt #: 39 total cpu time spent up to now is 15.9 secs Computing kpt #: 40 total cpu time spent up to now is 16.2 secs Computing kpt #: 41 total cpu time spent up to now is 16.7 secs Computing kpt #: 42 total cpu time spent up to now is 17.1 secs Computing kpt #: 43 total cpu time spent up to now is 17.4 secs Computing kpt #: 44 total cpu time spent up to now is 17.8 secs Computing kpt #: 45 total cpu time spent up to now is 18.1 secs Computing kpt #: 46 total cpu time spent up to now is 18.5 secs Computing kpt #: 47 total cpu time spent up to now is 18.8 secs Computing kpt #: 48 total cpu time spent up to now is 19.1 secs Computing kpt #: 49 total cpu time spent up to now is 19.5 secs Computing kpt #: 50 total cpu time spent up to now is 19.8 secs Computing kpt #: 51 total cpu time spent up to now is 20.2 secs Computing kpt #: 52 total cpu time spent up to now is 20.5 secs Computing kpt #: 53 total cpu time spent up to now is 20.9 secs Computing kpt #: 54 total cpu time spent up to now is 21.2 secs Computing kpt #: 55 total cpu time spent up to now is 21.5 secs Computing kpt #: 56 total cpu time spent up to now is 21.9 secs Computing kpt #: 57 total cpu time spent up to now is 22.2 secs Computing kpt #: 58 total cpu time spent up to now is 22.5 secs Computing kpt #: 59 total cpu time spent up to now is 22.9 secs Computing kpt #: 60 total cpu time spent up to now is 23.2 secs Computing kpt #: 61 total cpu time spent up to now is 23.6 secs Computing kpt #: 62 total cpu time spent up to now is 23.9 secs Computing kpt #: 63 total cpu time spent up to now is 24.2 secs Computing kpt #: 64 total cpu time spent up to now is 24.6 secs Computing kpt #: 65 total cpu time spent up to now is 24.9 secs Computing kpt #: 66 total cpu time spent up to now is 25.2 secs Computing kpt #: 67 total cpu time spent up to now is 25.5 secs Computing kpt #: 68 total cpu time spent up to now is 25.8 secs Computing kpt #: 69 total cpu time spent up to now is 26.2 secs Computing kpt #: 70 total cpu time spent up to now is 26.5 secs Computing kpt #: 71 total cpu time spent up to now is 26.8 secs Computing kpt #: 72 total cpu time spent up to now is 27.2 secs Computing kpt #: 73 total cpu time spent up to now is 27.5 secs Computing kpt #: 74 total cpu time spent up to now is 27.8 secs Computing kpt #: 75 total cpu time spent up to now is 28.2 secs Computing kpt #: 76 total cpu time spent up to now is 28.5 secs Computing kpt #: 77 total cpu time spent up to now is 28.9 secs Computing kpt #: 78 total cpu time spent up to now is 29.3 secs Computing kpt #: 79 total cpu time spent up to now is 29.6 secs Computing kpt #: 80 total cpu time spent up to now is 30.0 secs Computing kpt #: 81 total cpu time spent up to now is 30.3 secs Computing kpt #: 82 total cpu time spent up to now is 30.6 secs Computing kpt #: 83 total cpu time spent up to now is 31.0 secs Computing kpt #: 84 total cpu time spent up to now is 31.3 secs Computing kpt #: 85 total cpu time spent up to now is 31.6 secs Computing kpt #: 86 total cpu time spent up to now is 32.0 secs Computing kpt #: 87 total cpu time spent up to now is 32.3 secs Computing kpt #: 88 total cpu time spent up to now is 32.6 secs Computing kpt #: 89 total cpu time spent up to now is 33.0 secs Computing kpt #: 90 total cpu time spent up to now is 33.3 secs Computing kpt #: 91 total cpu time spent up to now is 33.6 secs Computing kpt #: 92 total cpu time spent up to now is 34.0 secs Computing kpt #: 93 total cpu time spent up to now is 34.3 secs Computing kpt #: 94 total cpu time spent up to now is 34.7 secs Computing kpt #: 95 total cpu time spent up to now is 35.0 secs Computing kpt #: 96 total cpu time spent up to now is 35.3 secs Computing kpt #: 97 total cpu time spent up to now is 35.7 secs Computing kpt #: 98 total cpu time spent up to now is 36.0 secs Computing kpt #: 99 total cpu time spent up to now is 36.4 secs Computing kpt #: 100 total cpu time spent up to now is 36.7 secs Computing kpt #: 101 total cpu time spent up to now is 37.0 secs Computing kpt #: 102 total cpu time spent up to now is 37.4 secs Computing kpt #: 103 total cpu time spent up to now is 37.7 secs Computing kpt #: 104 total cpu time spent up to now is 38.1 secs Computing kpt #: 105 total cpu time spent up to now is 38.4 secs Computing kpt #: 106 total cpu time spent up to now is 38.8 secs Computing kpt #: 107 total cpu time spent up to now is 39.1 secs Computing kpt #: 108 total cpu time spent up to now is 39.5 secs Computing kpt #: 109 total cpu time spent up to now is 39.8 secs Computing kpt #: 110 total cpu time spent up to now is 40.2 secs Computing kpt #: 111 total cpu time spent up to now is 40.5 secs Computing kpt #: 112 total cpu time spent up to now is 40.9 secs Computing kpt #: 113 total cpu time spent up to now is 41.2 secs Computing kpt #: 114 total cpu time spent up to now is 41.6 secs Computing kpt #: 115 total cpu time spent up to now is 41.9 secs Computing kpt #: 116 total cpu time spent up to now is 42.3 secs Computing kpt #: 117 total cpu time spent up to now is 42.6 secs Computing kpt #: 118 total cpu time spent up to now is 43.0 secs Computing kpt #: 119 total cpu time spent up to now is 43.3 secs Computing kpt #: 120 total cpu time spent up to now is 43.7 secs Computing kpt #: 121 total cpu time spent up to now is 44.0 secs Computing kpt #: 122 total cpu time spent up to now is 44.4 secs Computing kpt #: 123 total cpu time spent up to now is 44.7 secs Computing kpt #: 124 total cpu time spent up to now is 45.1 secs Computing kpt #: 125 total cpu time spent up to now is 45.4 secs Computing kpt #: 126 total cpu time spent up to now is 45.8 secs Computing kpt #: 127 total cpu time spent up to now is 46.2 secs Computing kpt #: 128 total cpu time spent up to now is 46.5 secs Computing kpt #: 129 total cpu time spent up to now is 46.9 secs Computing kpt #: 130 total cpu time spent up to now is 47.3 secs Computing kpt #: 131 total cpu time spent up to now is 47.6 secs Computing kpt #: 132 total cpu time spent up to now is 48.0 secs Computing kpt #: 133 total cpu time spent up to now is 48.3 secs Computing kpt #: 134 total cpu time spent up to now is 48.7 secs Computing kpt #: 135 total cpu time spent up to now is 49.0 secs Computing kpt #: 136 total cpu time spent up to now is 49.4 secs Computing kpt #: 137 total cpu time spent up to now is 49.8 secs Computing kpt #: 138 total cpu time spent up to now is 50.1 secs Computing kpt #: 139 total cpu time spent up to now is 50.5 secs Computing kpt #: 140 total cpu time spent up to now is 50.9 secs Computing kpt #: 141 total cpu time spent up to now is 51.2 secs Computing kpt #: 142 total cpu time spent up to now is 51.6 secs Computing kpt #: 143 total cpu time spent up to now is 52.0 secs Computing kpt #: 144 total cpu time spent up to now is 52.3 secs Computing kpt #: 145 total cpu time spent up to now is 52.7 secs Computing kpt #: 146 total cpu time spent up to now is 53.1 secs Computing kpt #: 147 total cpu time spent up to now is 53.4 secs Computing kpt #: 148 total cpu time spent up to now is 53.8 secs Computing kpt #: 149 total cpu time spent up to now is 54.2 secs Computing kpt #: 150 total cpu time spent up to now is 54.5 secs Computing kpt #: 151 total cpu time spent up to now is 54.9 secs Computing kpt #: 152 total cpu time spent up to now is 55.3 secs Computing kpt #: 153 total cpu time spent up to now is 55.7 secs Computing kpt #: 154 total cpu time spent up to now is 56.1 secs Computing kpt #: 155 total cpu time spent up to now is 56.4 secs Computing kpt #: 156 total cpu time spent up to now is 56.8 secs Computing kpt #: 157 total cpu time spent up to now is 57.2 secs Computing kpt #: 158 total cpu time spent up to now is 57.6 secs Computing kpt #: 159 total cpu time spent up to now is 57.9 secs Computing kpt #: 160 total cpu time spent up to now is 58.3 secs Computing kpt #: 161 total cpu time spent up to now is 58.7 secs Computing kpt #: 162 total cpu time spent up to now is 59.0 secs Computing kpt #: 163 total cpu time spent up to now is 59.4 secs Computing kpt #: 164 total cpu time spent up to now is 59.8 secs Computing kpt #: 165 total cpu time spent up to now is 60.2 secs Computing kpt #: 166 total cpu time spent up to now is 60.6 secs Computing kpt #: 167 total cpu time spent up to now is 61.0 secs Computing kpt #: 168 total cpu time spent up to now is 61.3 secs Computing kpt #: 169 total cpu time spent up to now is 61.7 secs Computing kpt #: 170 total cpu time spent up to now is 62.1 secs Computing kpt #: 171 total cpu time spent up to now is 62.4 secs Computing kpt #: 172 total cpu time spent up to now is 62.8 secs Computing kpt #: 173 total cpu time spent up to now is 63.2 secs Computing kpt #: 174 total cpu time spent up to now is 63.6 secs Computing kpt #: 175 total cpu time spent up to now is 63.9 secs Computing kpt #: 176 total cpu time spent up to now is 64.3 secs Computing kpt #: 177 total cpu time spent up to now is 64.7 secs Computing kpt #: 178 total cpu time spent up to now is 65.0 secs Computing kpt #: 179 total cpu time spent up to now is 65.4 secs Computing kpt #: 180 total cpu time spent up to now is 65.8 secs Computing kpt #: 181 total cpu time spent up to now is 66.1 secs Computing kpt #: 182 total cpu time spent up to now is 66.5 secs Computing kpt #: 183 total cpu time spent up to now is 66.9 secs Computing kpt #: 184 total cpu time spent up to now is 67.3 secs Computing kpt #: 185 total cpu time spent up to now is 67.6 secs Computing kpt #: 186 total cpu time spent up to now is 68.0 secs Computing kpt #: 187 total cpu time spent up to now is 68.4 secs Computing kpt #: 188 total cpu time spent up to now is 68.8 secs Computing kpt #: 189 total cpu time spent up to now is 69.1 secs Computing kpt #: 190 total cpu time spent up to now is 69.5 secs Computing kpt #: 191 total cpu time spent up to now is 69.8 secs Computing kpt #: 192 total cpu time spent up to now is 70.2 secs Computing kpt #: 193 total cpu time spent up to now is 70.6 secs Computing kpt #: 194 total cpu time spent up to now is 70.9 secs Computing kpt #: 195 total cpu time spent up to now is 71.3 secs Computing kpt #: 196 total cpu time spent up to now is 71.6 secs Computing kpt #: 197 total cpu time spent up to now is 72.0 secs Computing kpt #: 198 total cpu time spent up to now is 72.3 secs Computing kpt #: 199 total cpu time spent up to now is 72.7 secs Computing kpt #: 200 total cpu time spent up to now is 73.0 secs Computing kpt #: 201 total cpu time spent up to now is 73.4 secs Computing kpt #: 202 total cpu time spent up to now is 73.7 secs Computing kpt #: 203 total cpu time spent up to now is 74.1 secs Computing kpt #: 204 total cpu time spent up to now is 74.5 secs Computing kpt #: 205 total cpu time spent up to now is 74.8 secs Computing kpt #: 206 total cpu time spent up to now is 75.2 secs Computing kpt #: 207 total cpu time spent up to now is 75.6 secs Computing kpt #: 208 total cpu time spent up to now is 76.0 secs Computing kpt #: 209 total cpu time spent up to now is 76.3 secs Computing kpt #: 210 total cpu time spent up to now is 76.7 secs Computing kpt #: 211 total cpu time spent up to now is 77.1 secs Computing kpt #: 212 total cpu time spent up to now is 77.4 secs Computing kpt #: 213 total cpu time spent up to now is 77.8 secs Computing kpt #: 214 total cpu time spent up to now is 78.2 secs Computing kpt #: 215 total cpu time spent up to now is 78.6 secs Computing kpt #: 216 total cpu time spent up to now is 78.9 secs Computing kpt #: 217 total cpu time spent up to now is 79.3 secs Computing kpt #: 218 total cpu time spent up to now is 79.7 secs Computing kpt #: 219 total cpu time spent up to now is 80.1 secs Computing kpt #: 220 total cpu time spent up to now is 80.5 secs Computing kpt #: 221 total cpu time spent up to now is 80.9 secs Computing kpt #: 222 total cpu time spent up to now is 81.3 secs Computing kpt #: 223 total cpu time spent up to now is 81.7 secs Computing kpt #: 224 total cpu time spent up to now is 82.1 secs Computing kpt #: 225 total cpu time spent up to now is 82.5 secs Computing kpt #: 226 total cpu time spent up to now is 82.9 secs Computing kpt #: 227 total cpu time spent up to now is 83.3 secs Computing kpt #: 228 total cpu time spent up to now is 83.7 secs Computing kpt #: 229 total cpu time spent up to now is 84.1 secs Computing kpt #: 230 total cpu time spent up to now is 84.4 secs Computing kpt #: 231 total cpu time spent up to now is 84.8 secs Computing kpt #: 232 total cpu time spent up to now is 85.2 secs Computing kpt #: 233 total cpu time spent up to now is 85.6 secs Computing kpt #: 234 total cpu time spent up to now is 86.0 secs Computing kpt #: 235 total cpu time spent up to now is 86.4 secs Computing kpt #: 236 total cpu time spent up to now is 86.7 secs Computing kpt #: 237 total cpu time spent up to now is 87.1 secs Computing kpt #: 238 total cpu time spent up to now is 87.5 secs Computing kpt #: 239 total cpu time spent up to now is 87.9 secs Computing kpt #: 240 total cpu time spent up to now is 88.2 secs Computing kpt #: 241 total cpu time spent up to now is 88.6 secs Computing kpt #: 242 total cpu time spent up to now is 89.0 secs Computing kpt #: 243 total cpu time spent up to now is 89.4 secs Computing kpt #: 244 total cpu time spent up to now is 89.8 secs Computing kpt #: 245 total cpu time spent up to now is 90.2 secs Computing kpt #: 246 total cpu time spent up to now is 90.5 secs Computing kpt #: 247 total cpu time spent up to now is 90.9 secs Computing kpt #: 248 total cpu time spent up to now is 91.3 secs Computing kpt #: 249 total cpu time spent up to now is 91.6 secs Computing kpt #: 250 total cpu time spent up to now is 92.0 secs Computing kpt #: 251 total cpu time spent up to now is 92.4 secs Computing kpt #: 252 total cpu time spent up to now is 92.8 secs Computing kpt #: 253 total cpu time spent up to now is 93.2 secs Computing kpt #: 254 total cpu time spent up to now is 93.6 secs Computing kpt #: 255 total cpu time spent up to now is 93.9 secs Computing kpt #: 256 total cpu time spent up to now is 94.3 secs Computing kpt #: 257 total cpu time spent up to now is 94.7 secs Computing kpt #: 258 total cpu time spent up to now is 95.1 secs Computing kpt #: 259 total cpu time spent up to now is 95.5 secs Computing kpt #: 260 total cpu time spent up to now is 95.9 secs Computing kpt #: 261 total cpu time spent up to now is 96.2 secs Computing kpt #: 262 total cpu time spent up to now is 96.6 secs Computing kpt #: 263 total cpu time spent up to now is 97.1 secs Computing kpt #: 264 total cpu time spent up to now is 97.4 secs Computing kpt #: 265 total cpu time spent up to now is 97.8 secs Computing kpt #: 266 total cpu time spent up to now is 98.2 secs Computing kpt #: 267 total cpu time spent up to now is 98.6 secs Computing kpt #: 268 total cpu time spent up to now is 99.0 secs Computing kpt #: 269 total cpu time spent up to now is 99.4 secs Computing kpt #: 270 total cpu time spent up to now is 99.8 secs Computing kpt #: 271 total cpu time spent up to now is 100.2 secs Computing kpt #: 272 total cpu time spent up to now is 100.6 secs Computing kpt #: 273 total cpu time spent up to now is 101.1 secs Computing kpt #: 274 total cpu time spent up to now is 101.5 secs Computing kpt #: 275 total cpu time spent up to now is 102.0 secs Computing kpt #: 276 total cpu time spent up to now is 102.4 secs Computing kpt #: 277 total cpu time spent up to now is 102.8 secs Computing kpt #: 278 total cpu time spent up to now is 103.2 secs Computing kpt #: 279 total cpu time spent up to now is 103.6 secs Computing kpt #: 280 total cpu time spent up to now is 104.1 secs Computing kpt #: 281 total cpu time spent up to now is 104.4 secs Computing kpt #: 282 total cpu time spent up to now is 104.9 secs Computing kpt #: 283 total cpu time spent up to now is 105.3 secs Computing kpt #: 284 total cpu time spent up to now is 105.8 secs Computing kpt #: 285 total cpu time spent up to now is 106.2 secs Computing kpt #: 286 total cpu time spent up to now is 106.6 secs Computing kpt #: 287 total cpu time spent up to now is 107.1 secs Computing kpt #: 288 total cpu time spent up to now is 107.5 secs Computing kpt #: 289 total cpu time spent up to now is 108.0 secs Computing kpt #: 290 total cpu time spent up to now is 108.4 secs Computing kpt #: 291 total cpu time spent up to now is 108.9 secs Computing kpt #: 292 total cpu time spent up to now is 109.4 secs Computing kpt #: 293 total cpu time spent up to now is 109.8 secs Computing kpt #: 294 total cpu time spent up to now is 110.3 secs Computing kpt #: 295 total cpu time spent up to now is 110.8 secs Computing kpt #: 296 total cpu time spent up to now is 111.2 secs Computing kpt #: 297 total cpu time spent up to now is 111.6 secs Computing kpt #: 298 total cpu time spent up to now is 111.9 secs Computing kpt #: 299 total cpu time spent up to now is 112.3 secs Computing kpt #: 300 total cpu time spent up to now is 112.7 secs Computing kpt #: 301 total cpu time spent up to now is 113.1 secs Computing kpt #: 302 total cpu time spent up to now is 113.5 secs Computing kpt #: 303 total cpu time spent up to now is 113.8 secs Computing kpt #: 304 total cpu time spent up to now is 114.2 secs Computing kpt #: 305 total cpu time spent up to now is 114.6 secs Computing kpt #: 306 total cpu time spent up to now is 115.0 secs Computing kpt #: 307 total cpu time spent up to now is 115.3 secs Computing kpt #: 308 total cpu time spent up to now is 115.7 secs Computing kpt #: 309 total cpu time spent up to now is 116.1 secs Computing kpt #: 310 total cpu time spent up to now is 116.5 secs Computing kpt #: 311 total cpu time spent up to now is 116.9 secs Computing kpt #: 312 total cpu time spent up to now is 117.2 secs Computing kpt #: 313 total cpu time spent up to now is 117.6 secs Computing kpt #: 314 total cpu time spent up to now is 118.0 secs Computing kpt #: 315 total cpu time spent up to now is 118.4 secs Computing kpt #: 316 total cpu time spent up to now is 118.7 secs Computing kpt #: 317 total cpu time spent up to now is 119.0 secs Computing kpt #: 318 total cpu time spent up to now is 119.4 secs Computing kpt #: 319 total cpu time spent up to now is 119.7 secs Computing kpt #: 320 total cpu time spent up to now is 120.1 secs Computing kpt #: 321 total cpu time spent up to now is 120.4 secs Computing kpt #: 322 total cpu time spent up to now is 120.7 secs Computing kpt #: 323 total cpu time spent up to now is 121.1 secs Computing kpt #: 324 total cpu time spent up to now is 121.4 secs Computing kpt #: 325 total cpu time spent up to now is 121.8 secs Computing kpt #: 326 total cpu time spent up to now is 122.1 secs Computing kpt #: 327 total cpu time spent up to now is 122.4 secs Computing kpt #: 328 total cpu time spent up to now is 122.8 secs Computing kpt #: 329 total cpu time spent up to now is 123.1 secs Computing kpt #: 330 total cpu time spent up to now is 123.5 secs Computing kpt #: 331 total cpu time spent up to now is 123.8 secs Computing kpt #: 332 total cpu time spent up to now is 124.1 secs Computing kpt #: 333 total cpu time spent up to now is 124.5 secs Computing kpt #: 334 total cpu time spent up to now is 124.8 secs Computing kpt #: 335 total cpu time spent up to now is 125.2 secs Computing kpt #: 336 total cpu time spent up to now is 125.5 secs Computing kpt #: 337 total cpu time spent up to now is 125.9 secs Computing kpt #: 338 total cpu time spent up to now is 126.3 secs Computing kpt #: 339 total cpu time spent up to now is 126.7 secs Computing kpt #: 340 total cpu time spent up to now is 127.0 secs Computing kpt #: 341 total cpu time spent up to now is 127.4 secs Computing kpt #: 342 total cpu time spent up to now is 127.8 secs Computing kpt #: 343 total cpu time spent up to now is 128.2 secs Computing kpt #: 344 total cpu time spent up to now is 128.6 secs Computing kpt #: 345 total cpu time spent up to now is 128.9 secs Computing kpt #: 346 total cpu time spent up to now is 129.3 secs Computing kpt #: 347 total cpu time spent up to now is 129.7 secs Computing kpt #: 348 total cpu time spent up to now is 130.1 secs Computing kpt #: 349 total cpu time spent up to now is 130.5 secs Computing kpt #: 350 total cpu time spent up to now is 130.8 secs Computing kpt #: 351 total cpu time spent up to now is 131.2 secs Computing kpt #: 352 total cpu time spent up to now is 131.6 secs Computing kpt #: 353 total cpu time spent up to now is 132.0 secs Computing kpt #: 354 total cpu time spent up to now is 132.4 secs Computing kpt #: 355 total cpu time spent up to now is 132.8 secs Computing kpt #: 356 total cpu time spent up to now is 133.2 secs Computing kpt #: 357 total cpu time spent up to now is 133.5 secs Computing kpt #: 358 total cpu time spent up to now is 133.9 secs Computing kpt #: 359 total cpu time spent up to now is 134.3 secs Computing kpt #: 360 total cpu time spent up to now is 134.6 secs Computing kpt #: 361 total cpu time spent up to now is 135.0 secs Computing kpt #: 362 total cpu time spent up to now is 135.3 secs Computing kpt #: 363 total cpu time spent up to now is 135.6 secs Computing kpt #: 364 total cpu time spent up to now is 136.0 secs Computing kpt #: 365 total cpu time spent up to now is 136.3 secs Computing kpt #: 366 total cpu time spent up to now is 136.7 secs Computing kpt #: 367 total cpu time spent up to now is 137.1 secs Computing kpt #: 368 total cpu time spent up to now is 137.4 secs ethr = 2.08E-08, avg # of iterations = 17.2 total cpu time spent up to now is 137.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2523 PWs) bands (ev): -21.2004 -21.2004 -20.6634 -20.6634 -11.8047 -11.8047 -11.6763 -11.6763 -10.3157 -10.3157 -10.2494 -10.2494 -4.1947 -4.1947 -3.4384 -3.4384 -3.2406 -3.2406 -2.9158 -2.9158 -2.3967 -2.3967 -2.1518 -2.1518 5.4213 5.4213 5.4485 5.4485 6.7592 6.7592 6.8202 6.8202 6.8650 6.8650 6.9480 6.9480 7.6034 7.6034 8.0027 8.0027 8.0394 8.0394 9.1515 9.1515 9.2591 9.2591 10.1321 10.1321 17.2751 17.2751 17.3018 17.3018 18.2525 18.2525 20.8119 20.8119 21.0526 21.0526 k = 0.0106 0.0061-0.0000 ( 2535 PWs) bands (ev): -21.2002 -21.2002 -20.6634 -20.6634 -11.8052 -11.8052 -11.6769 -11.6769 -10.3161 -10.3161 -10.2493 -10.2493 -4.1948 -4.1948 -3.4386 -3.4386 -3.2407 -3.2407 -2.9154 -2.9154 -2.3963 -2.3963 -2.1521 -2.1521 5.4232 5.4232 5.4503 5.4503 6.7333 6.7333 6.8151 6.8151 6.8974 6.8974 6.9479 6.9479 7.6025 7.6025 8.0030 8.0030 8.0397 8.0397 9.1500 9.1500 9.2576 9.2576 10.1319 10.1319 17.2771 17.2771 17.3038 17.3038 18.2543 18.2543 20.8146 20.8146 21.0462 21.0462 k = 0.0213 0.0123-0.0000 ( 2541 PWs) bands (ev): -21.1993 -21.1993 -20.6633 -20.6633 -11.8068 -11.8068 -11.6787 -11.6787 -10.3172 -10.3172 -10.2487 -10.2487 -4.1948 -4.1948 -3.4391 -3.4391 -3.2409 -3.2409 -2.9144 -2.9144 -2.3951 -2.3951 -2.1527 -2.1527 5.4286 5.4286 5.4557 5.4557 6.6822 6.6822 6.8149 6.8149 6.9476 6.9476 6.9537 6.9537 7.6000 7.6000 8.0036 8.0036 8.0406 8.0406 9.1454 9.1454 9.2530 9.2530 10.1313 10.1313 17.2827 17.2827 17.3102 17.3102 18.2595 18.2595 20.8229 20.8229 21.0274 21.0274 k = 0.0319 0.0184-0.0000 ( 2545 PWs) bands (ev): -21.1980 -21.1980 -20.6632 -20.6632 -11.8093 -11.8093 -11.6816 -11.6816 -10.3191 -10.3191 -10.2477 -10.2477 -4.1949 -4.1949 -3.4399 -3.4399 -3.2413 -3.2413 -2.9127 -2.9127 -2.3932 -2.3932 -2.1538 -2.1538 5.4375 5.4375 5.4649 5.4649 6.6260 6.6260 6.8181 6.8181 6.9474 6.9474 7.0144 7.0144 7.5958 7.5958 8.0043 8.0043 8.0424 8.0424 9.1373 9.1373 9.2458 9.2458 10.1304 10.1304 17.2910 17.2910 17.3218 17.3218 18.2681 18.2681 20.8367 20.8367 20.9980 20.9980 k = 0.0426 0.0246-0.0000 ( 2555 PWs) bands (ev): -21.1960 -21.1960 -20.6631 -20.6631 -11.8128 -11.8128 -11.6856 -11.6856 -10.3218 -10.3218 -10.2464 -10.2464 -4.1949 -4.1949 -3.4410 -3.4410 -3.2419 -3.2419 -2.9103 -2.9103 -2.3905 -2.3905 -2.1554 -2.1554 5.4495 5.4495 5.4782 5.4782 6.5693 6.5693 6.8234 6.8234 6.9469 6.9469 7.0768 7.0768 7.5901 7.5901 8.0045 8.0045 8.0458 8.0458 9.1252 9.1252 9.2368 9.2368 10.1290 10.1290 17.3011 17.3011 17.3392 17.3392 18.2801 18.2801 20.8558 20.8558 20.9600 20.9600 k = 0.0532 0.0307-0.0000 ( 2563 PWs) bands (ev): -21.1936 -21.1936 -20.6629 -20.6629 -11.8173 -11.8173 -11.6908 -11.6908 -10.3252 -10.3252 -10.2447 -10.2447 -4.1950 -4.1950 -3.4425 -3.4425 -3.2426 -3.2426 -2.9073 -2.9073 -2.3872 -2.3872 -2.1573 -2.1573 5.4642 5.4642 5.4958 5.4958 6.5133 6.5133 6.8304 6.8304 6.9462 6.9462 7.1397 7.1397 7.5829 7.5829 8.0037 8.0037 8.0511 8.0511 9.1085 9.1085 9.2265 9.2265 10.1273 10.1273 17.3127 17.3127 17.3627 17.3627 18.2954 18.2954 20.8792 20.8792 20.9163 20.9163 k = 0.0638 0.0369-0.0000 ( 2563 PWs) bands (ev): -21.1905 -21.1905 -20.6628 -20.6628 -11.8227 -11.8227 -11.6970 -11.6970 -10.3294 -10.3294 -10.2426 -10.2426 -4.1951 -4.1951 -3.4442 -3.4442 -3.2435 -3.2435 -2.9035 -2.9035 -2.3832 -2.3832 -2.1596 -2.1596 5.4813 5.4813 5.5178 5.5178 6.4587 6.4587 6.8390 6.8390 6.9454 6.9454 7.2025 7.2025 7.5745 7.5745 8.0018 8.0018 8.0584 8.0584 9.0867 9.0867 9.2158 9.2158 10.1253 10.1253 17.3259 17.3259 17.3920 17.3920 18.3138 18.3138 20.8630 20.8630 20.9126 20.9126 k = 0.0745 0.0430-0.0000 ( 2559 PWs) bands (ev): -21.1870 -21.1870 -20.6625 -20.6625 -11.8290 -11.8290 -11.7043 -11.7043 -10.3343 -10.3343 -10.2402 -10.2402 -4.1952 -4.1952 -3.4462 -3.4462 -3.2445 -3.2445 -2.8991 -2.8991 -2.3786 -2.3786 -2.1621 -2.1621 5.5009 5.5009 5.5443 5.5443 6.4058 6.4058 6.8491 6.8491 6.9444 6.9444 7.2649 7.2649 7.5650 7.5650 7.9987 7.9987 8.0678 8.0678 9.0596 9.0596 9.2049 9.2049 10.1228 10.1228 17.3409 17.3409 17.4267 17.4267 18.3353 18.3353 20.8106 20.8106 20.9468 20.9468 k = 0.0851 0.0491-0.0000 ( 2559 PWs) bands (ev): -21.1829 -21.1829 -20.6623 -20.6623 -11.8363 -11.8363 -11.7126 -11.7126 -10.3400 -10.3400 -10.2374 -10.2374 -4.1952 -4.1952 -3.4484 -3.4484 -3.2456 -3.2456 -2.8941 -2.8941 -2.3736 -2.3736 -2.1650 -2.1650 5.5228 5.5228 5.5749 5.5749 6.3548 6.3548 6.8606 6.8606 6.9432 6.9432 7.3264 7.3264 7.5546 7.5546 7.9946 7.9946 8.0790 8.0790 9.0274 9.0274 9.1940 9.1940 10.1201 10.1201 17.3577 17.3577 17.4663 17.4663 18.3597 18.3597 20.7551 20.7551 20.9865 20.9865 k = 0.0957 0.0553-0.0000 ( 2559 PWs) bands (ev): -21.1783 -21.1783 -20.6621 -20.6621 -11.8443 -11.8443 -11.7218 -11.7218 -10.3464 -10.3464 -10.2342 -10.2342 -4.1953 -4.1953 -3.4509 -3.4509 -3.2468 -3.2468 -2.8884 -2.8884 -2.3682 -2.3682 -2.1680 -2.1680 5.5471 5.5471 5.6096 5.6096 6.3058 6.3058 6.8734 6.8734 6.9419 6.9419 7.3865 7.3865 7.5438 7.5438 7.9896 7.9896 8.0920 8.0920 8.9904 8.9904 9.1830 9.1830 10.1170 10.1170 17.3763 17.3763 17.5105 17.5105 18.3868 18.3868 20.6980 20.6980 21.0309 21.0309 k = 0.1064 0.0614-0.0000 ( 2563 PWs) bands (ev): -21.1732 -21.1732 -20.6618 -20.6618 -11.8532 -11.8532 -11.7319 -11.7319 -10.3535 -10.3535 -10.2308 -10.2308 -4.1954 -4.1954 -3.4537 -3.4537 -3.2481 -3.2481 -2.8821 -2.8821 -2.3626 -2.3626 -2.1710 -2.1710 5.5738 5.5738 5.6480 5.6480 6.2592 6.2592 6.8874 6.8874 6.9404 6.9404 7.4437 7.4437 7.5338 7.5338 7.9838 7.9838 8.1065 8.1065 8.9489 8.9489 9.1718 9.1718 10.1135 10.1135 17.3967 17.3967 17.5588 17.5588 18.4165 18.4165 20.6400 20.6400 21.0796 21.0796 k = 0.1170 0.0676-0.0000 ( 2559 PWs) bands (ev): -21.1676 -21.1676 -20.6616 -20.6616 -11.8629 -11.8629 -11.7428 -11.7428 -10.3613 -10.3613 -10.2270 -10.2270 -4.1954 -4.1954 -3.4568 -3.4568 -3.2493 -3.2493 -2.8752 -2.8752 -2.3569 -2.3569 -2.1740 -2.1740 5.6028 5.6028 5.6899 5.6899 6.2149 6.2149 6.9023 6.9023 6.9390 6.9390 7.4887 7.4887 7.5338 7.5338 7.9774 7.9774 8.1225 8.1225 8.9037 8.9037 9.1603 9.1603 10.1098 10.1098 17.4189 17.4189 17.6109 17.6109 18.4486 18.4486 20.5819 20.5819 21.1321 21.1321 k = 0.1277 0.0737-0.0000 ( 2558 PWs) bands (ev): -21.1616 -21.1616 -20.6614 -20.6614 -11.8732 -11.8732 -11.7545 -11.7545 -10.3699 -10.3699 -10.2230 -10.2230 -4.1954 -4.1954 -3.4601 -3.4601 -3.2504 -3.2504 -2.8676 -2.8676 -2.3514 -2.3514 -2.1768 -2.1768 5.6342 5.6342 5.7349 5.7349 6.1733 6.1733 6.9171 6.9171 6.9387 6.9387 7.4937 7.4937 7.5714 7.5714 7.9703 7.9703 8.1399 8.1399 8.8551 8.8551 9.1482 9.1482 10.1057 10.1057 17.4427 17.4427 17.6661 17.6661 18.4829 18.4829 20.5239 20.5239 21.1878 21.1878 k = 0.1383 0.0798-0.0000 ( 2566 PWs) bands (ev): -21.1551 -21.1551 -20.6612 -20.6612 -11.8843 -11.8843 -11.7668 -11.7668 -10.3791 -10.3791 -10.2186 -10.2186 -4.1954 -4.1954 -3.4638 -3.4638 -3.2515 -3.2515 -2.8595 -2.8595 -2.3462 -2.3462 -2.1792 -2.1792 5.6679 5.6679 5.7828 5.7828 6.1344 6.1344 6.9263 6.9263 6.9448 6.9448 7.4827 7.4827 7.6225 7.6225 7.9627 7.9627 8.1586 8.1586 8.8036 8.8036 9.1355 9.1355 10.1014 10.1014 17.4681 17.4681 17.7242 17.7242 18.5192 18.5192 20.4666 20.4666 21.2458 21.2458 k = 0.1489 0.0860-0.0000 ( 2570 PWs) bands (ev): -21.1481 -21.1481 -20.6610 -20.6610 -11.8961 -11.8961 -11.7798 -11.7798 -10.3889 -10.3889 -10.2141 -10.2141 -4.1954 -4.1954 -3.4677 -3.4677 -3.2524 -3.2524 -2.8507 -2.8507 -2.3417 -2.3417 -2.1809 -2.1809 5.7039 5.7039 5.8330 5.8330 6.0986 6.0986 6.9267 6.9267 6.9604 6.9604 7.4691 7.4691 7.6733 7.6733 7.9547 7.9547 8.1787 8.1787 8.7499 8.7499 9.1222 9.1222 10.0968 10.0968 17.4950 17.4950 17.7844 17.7844 18.5575 18.5575 20.4101 20.4101 21.3051 21.3051 k = 0.1596 0.0921-0.0000 ( 2568 PWs) bands (ev): -21.1408 -21.1408 -20.6609 -20.6609 -11.9084 -11.9084 -11.7932 -11.7932 -10.3994 -10.3994 -10.2092 -10.2092 -4.1954 -4.1954 -3.4720 -3.4720 -3.2532 -3.2532 -2.8413 -2.8413 -2.3381 -2.3381 -2.1819 -2.1819 5.7419 5.7419 5.8845 5.8845 6.0669 6.0669 6.9245 6.9245 6.9793 6.9793 7.4547 7.4547 7.7220 7.7220 7.9463 7.9463 8.1999 8.1999 8.6945 8.6945 9.1081 9.1081 10.0919 10.0919 17.5233 17.5233 17.8462 17.8462 18.5974 18.5974 20.3546 20.3546 21.3640 21.3640 k = 0.1702 0.0983-0.0000 ( 2568 PWs) bands (ev): -21.1330 -21.1330 -20.6608 -20.6608 -11.9214 -11.9214 -11.8070 -11.8070 -10.4105 -10.4105 -10.2042 -10.2042 -4.1954 -4.1954 -3.4765 -3.4765 -3.2537 -3.2537 -2.8312 -2.8312 -2.3357 -2.3357 -2.1817 -2.1817 5.7820 5.7820 5.9338 5.9338 6.0422 6.0422 6.9215 6.9215 6.9995 6.9995 7.4398 7.4398 7.7678 7.7678 7.9376 7.9376 8.2224 8.2224 8.6379 8.6379 9.0932 9.0932 10.0869 10.0869 17.5529 17.5529 17.9090 17.9090 18.6388 18.6388 20.3004 20.3004 21.4203 21.4203 k = 0.1809 0.1044-0.0000 ( 2564 PWs) bands (ev): -21.1249 -21.1249 -20.6608 -20.6608 -11.9348 -11.9348 -11.8212 -11.8212 -10.4221 -10.4221 -10.1989 -10.1989 -4.1955 -4.1955 -3.4813 -3.4813 -3.2542 -3.2542 -2.8204 -2.8204 -2.3346 -2.3346 -2.1803 -2.1803 5.8241 5.8241 5.9648 5.9648 6.0405 6.0405 6.9182 6.9182 7.0207 7.0207 7.4246 7.4246 7.8102 7.8102 7.9288 7.9288 8.2461 8.2461 8.5808 8.5808 9.0774 9.0774 10.0815 10.0815 17.5836 17.5836 17.9720 17.9720 18.6816 18.6816 20.2475 20.2475 21.4707 21.4707 k = 0.1915 0.1106-0.0000 ( 2564 PWs) bands (ev): -21.1164 -21.1164 -20.6609 -20.6609 -11.9488 -11.9488 -11.8355 -11.8355 -10.4342 -10.4342 -10.1935 -10.1935 -4.1955 -4.1955 -3.4864 -3.4864 -3.2546 -3.2546 -2.8089 -2.8089 -2.3350 -2.3350 -2.1777 -2.1777 5.8679 5.8679 5.9589 5.9589 6.0802 6.0802 6.9146 6.9146 7.0426 7.0426 7.4093 7.4093 7.8482 7.8482 7.9203 7.9203 8.2708 8.2708 8.5241 8.5241 9.0609 9.0609 10.0760 10.0760 17.6153 17.6153 18.0344 18.0344 18.7256 18.7256 20.1960 20.1960 21.5105 21.5105 k = 0.2021 0.1167-0.0000 ( 2564 PWs) bands (ev): -21.1076 -21.1076 -20.6611 -20.6611 -11.9633 -11.9633 -11.8500 -11.8500 -10.4468 -10.4468 -10.1879 -10.1879 -4.1955 -4.1955 -3.4916 -3.4916 -3.2549 -3.2549 -2.7966 -2.7966 -2.3369 -2.3369 -2.1738 -2.1738 5.9125 5.9125 5.9418 5.9418 6.1358 6.1358 6.9108 6.9108 7.0650 7.0650 7.3940 7.3940 7.8792 7.8792 7.9142 7.9142 8.2965 8.2965 8.4687 8.4687 9.0434 9.0434 10.0704 10.0704 17.6479 17.6479 18.0954 18.0954 18.7706 18.7706 20.1458 20.1458 21.5344 21.5344 k = 0.2128 0.1228-0.0000 ( 2560 PWs) bands (ev): -21.0985 -21.0985 -20.6614 -20.6614 -11.9781 -11.9781 -11.8645 -11.8645 -10.4598 -10.4598 -10.1822 -10.1822 -4.1956 -4.1956 -3.4970 -3.4970 -3.2554 -3.2554 -2.7835 -2.7835 -2.3402 -2.3402 -2.1687 -2.1687 5.9204 5.9204 5.9625 5.9625 6.1954 6.1954 6.9071 6.9071 7.0878 7.0878 7.3786 7.3786 7.8906 7.8906 7.9221 7.9221 8.3231 8.3231 8.4158 8.4158 9.0251 9.0251 10.0645 10.0645 17.6813 17.6813 18.1543 18.1543 18.8165 18.8165 20.0969 20.0969 21.5374 21.5374 k = 0.2234 0.1290-0.0000 ( 2558 PWs) bands (ev): -21.0891 -21.0891 -20.6618 -20.6618 -11.9934 -11.9934 -11.8789 -11.8789 -10.4731 -10.4731 -10.1764 -10.1764 -4.1957 -4.1957 -3.5024 -3.5024 -3.2560 -3.2560 -2.7695 -2.7695 -2.3448 -2.3448 -2.1626 -2.1626 5.9039 5.9039 6.0108 6.0108 6.2565 6.2565 6.9033 6.9033 7.1108 7.1108 7.3633 7.3633 7.8846 7.8846 7.9410 7.9410 8.3504 8.3504 8.3671 8.3671 9.0059 9.0059 10.0586 10.0586 17.7152 17.7152 18.2100 18.2100 18.8631 18.8631 20.0492 20.0492 21.5185 21.5185 k = 0.2340 0.1351-0.0000 ( 2566 PWs) bands (ev): -21.0795 -21.0795 -20.6623 -20.6623 -12.0090 -12.0090 -11.8932 -11.8932 -10.4868 -10.4868 -10.1706 -10.1706 -4.1959 -4.1959 -3.5078 -3.5078 -3.2568 -3.2568 -2.7547 -2.7547 -2.3505 -2.3505 -2.1559 -2.1559 5.8888 5.8888 6.0610 6.0610 6.3179 6.3179 6.8996 6.8996 7.1338 7.1338 7.3482 7.3482 7.8756 7.8756 7.9551 7.9551 8.3237 8.3237 8.3790 8.3790 8.9858 8.9858 10.0525 10.0525 17.7496 17.7496 18.2617 18.2617 18.9102 18.9102 20.0023 20.0023 21.4818 21.4818 k = 0.2447 0.1413-0.0000 ( 2558 PWs) bands (ev): -21.0697 -21.0697 -20.6630 -20.6630 -12.0248 -12.0248 -11.9072 -11.9072 -10.5007 -10.5007 -10.1646 -10.1646 -4.1961 -4.1961 -3.5130 -3.5130 -3.2581 -3.2581 -2.7389 -2.7389 -2.3570 -2.3570 -2.1486 -2.1486 5.8758 5.8758 6.1125 6.1125 6.3789 6.3789 6.8961 6.8961 7.1567 7.1567 7.3333 7.3333 7.8659 7.8659 7.9603 7.9603 8.2890 8.2890 8.4078 8.4078 8.9649 8.9649 10.0464 10.0464 17.7844 17.7844 18.3086 18.3086 18.9577 18.9577 19.9562 19.9562 21.4344 21.4344 k = 0.2553 0.1474-0.0000 ( 2554 PWs) bands (ev): -21.0596 -21.0596 -20.6638 -20.6638 -12.0409 -12.0409 -11.9209 -11.9209 -10.5147 -10.5147 -10.1587 -10.1587 -4.1963 -4.1963 -3.5181 -3.5181 -3.2598 -3.2598 -2.7222 -2.7222 -2.3641 -2.3641 -2.1410 -2.1410 5.8649 5.8649 6.1652 6.1652 6.4388 6.4388 6.8928 6.8928 7.1790 7.1790 7.3190 7.3190 7.8559 7.8559 7.9551 7.9551 8.2641 8.2641 8.4373 8.4373 8.9431 8.9431 10.0402 10.0402 17.8192 17.8192 18.3499 18.3499 19.0055 19.0055 19.9105 19.9105 21.3819 21.3819 k = 0.2660 0.1536-0.0000 ( 2546 PWs) bands (ev): -21.0494 -21.0494 -20.6647 -20.6647 -12.0571 -12.0571 -11.9342 -11.9342 -10.5288 -10.5288 -10.1527 -10.1527 -4.1966 -4.1966 -3.5229 -3.5229 -3.2621 -3.2621 -2.7047 -2.7047 -2.3718 -2.3718 -2.1333 -2.1333 5.8559 5.8559 6.2189 6.2189 6.4971 6.4971 6.8899 6.8899 7.2003 7.2003 7.3055 7.3055 7.8459 7.8459 7.9401 7.9401 8.2491 8.2491 8.4671 8.4671 8.9205 8.9205 10.0340 10.0340 17.8541 17.8541 18.3848 18.3848 19.0533 19.0533 19.8649 19.8649 21.3272 21.3272 k = 0.2766 0.1597-0.0000 ( 2544 PWs) bands (ev): -21.0391 -21.0391 -20.6658 -20.6658 -12.0733 -12.0733 -11.9472 -11.9472 -10.5430 -10.5430 -10.1467 -10.1467 -4.1970 -4.1970 -3.5274 -3.5274 -3.2651 -3.2651 -2.6864 -2.6864 -2.3797 -2.3797 -2.1256 -2.1256 5.8488 5.8488 6.2734 6.2734 6.5529 6.5529 6.8873 6.8873 7.2192 7.2192 7.2942 7.2942 7.8358 7.8358 7.9178 7.9178 8.2422 8.2422 8.4973 8.4973 8.8972 8.8972 10.0277 10.0277 17.8889 17.8889 18.4130 18.4130 19.1010 19.1010 19.8192 19.8192 21.2721 21.2721 k = 0.2872 0.1658-0.0000 ( 2544 PWs) bands (ev): -21.0287 -21.0287 -20.6671 -20.6671 -12.0895 -12.0895 -11.9596 -11.9596 -10.5572 -10.5572 -10.1409 -10.1409 -4.1975 -4.1975 -3.5315 -3.5315 -3.2688 -3.2688 -2.6674 -2.6674 -2.3877 -2.3877 -2.1181 -2.1181 5.8433 5.8433 6.3286 6.3286 6.6057 6.6057 6.8853 6.8853 7.2324 7.2324 7.2882 7.2882 7.8258 7.8258 7.8916 7.8916 8.2406 8.2406 8.5275 8.5275 8.8731 8.8731 10.0215 10.0215 17.9233 17.9233 18.4340 18.4340 19.1484 19.1484 19.7730 19.7730 21.2185 21.2185 k = 0.2979 0.1720-0.0000 ( 2548 PWs) bands (ev): -21.0183 -21.0183 -20.6686 -20.6686 -12.1057 -12.1057 -11.9716 -11.9716 -10.5713 -10.5713 -10.1351 -10.1351 -4.1980 -4.1980 -3.5350 -3.5350 -3.2731 -3.2731 -2.6478 -2.6478 -2.3957 -2.3957 -2.1109 -2.1109 5.8392 5.8392 6.3844 6.3844 6.6547 6.6547 6.8839 6.8839 7.2344 7.2344 7.2928 7.2928 7.8158 7.8158 7.8647 7.8647 8.2420 8.2420 8.5578 8.5578 8.8483 8.8483 10.0154 10.0154 17.9572 17.9572 18.4478 18.4478 19.1953 19.1953 19.7261 19.7261 21.1677 21.1677 k = 0.3085 0.1781-0.0000 ( 2552 PWs) bands (ev): -21.0078 -21.0078 -20.6703 -20.6703 -12.1216 -12.1216 -11.9831 -11.9831 -10.5851 -10.5851 -10.1294 -10.1294 -4.1985 -4.1985 -3.5380 -3.5380 -3.2783 -3.2783 -2.6278 -2.6278 -2.4035 -2.4035 -2.1042 -2.1042 5.8363 5.8363 6.4405 6.4405 6.6992 6.6992 6.8833 6.8833 7.2269 7.2269 7.3062 7.3062 7.8055 7.8055 7.8396 7.8396 8.2448 8.2448 8.5878 8.5878 8.8230 8.8230 10.0094 10.0094 17.9906 17.9906 18.4546 18.4546 19.2415 19.2415 19.6784 19.6784 21.1211 21.1211 k = 0.3191 0.1843-0.0000 ( 2556 PWs) bands (ev): -20.9974 -20.9974 -20.6721 -20.6721 -12.1372 -12.1372 -11.9940 -11.9940 -10.5988 -10.5988 -10.1239 -10.1239 -4.1991 -4.1991 -3.5404 -3.5404 -3.2842 -3.2842 -2.6077 -2.6077 -2.4109 -2.4109 -2.0978 -2.0978 5.8343 5.8343 6.4969 6.4969 6.7388 6.7388 6.8836 6.8836 7.2155 7.2155 7.3228 7.3228 7.7948 7.7948 7.8183 7.8183 8.2482 8.2482 8.6176 8.6176 8.7971 8.7971 10.0035 10.0035 18.0232 18.0232 18.4548 18.4548 19.2868 19.2868 19.6299 19.6299 21.0794 21.0794 k = 0.3298 0.1904-0.0000 ( 2564 PWs) bands (ev): -20.9870 -20.9870 -20.6742 -20.6742 -12.1525 -12.1525 -12.0043 -12.0043 -10.6121 -10.6121 -10.1185 -10.1185 -4.1998 -4.1998 -3.5421 -3.5421 -3.2908 -3.2908 -2.5878 -2.5878 -2.4176 -2.4176 -2.0921 -2.0921 5.8329 5.8329 6.5531 6.5531 6.7730 6.7730 6.8851 6.8851 7.2027 7.2027 7.3396 7.3396 7.7832 7.7832 7.8020 7.8020 8.2516 8.2516 8.6468 8.6468 8.7708 8.7708 9.9977 9.9977 18.0549 18.0549 18.4490 18.4490 19.3306 19.3306 19.5809 19.5809 21.0431 21.0431 k = 0.3404 0.1965-0.0000 ( 2560 PWs) bands (ev): -20.9767 -20.9767 -20.6764 -20.6764 -12.1674 -12.1674 -12.0141 -12.0141 -10.6250 -10.6250 -10.1133 -10.1133 -4.2005 -4.2005 -3.5431 -3.5431 -3.2982 -3.2982 -2.5684 -2.5684 -2.4232 -2.4232 -2.0869 -2.0869 5.8321 5.8321 6.6092 6.6092 6.8013 6.8013 6.8880 6.8880 7.1896 7.1896 7.3558 7.3558 7.7716 7.7716 7.7901 7.7901 8.2551 8.2551 8.6754 8.6754 8.7443 8.7443 9.9921 9.9921 18.0855 18.0855 18.4380 18.4380 19.3722 19.3722 19.5324 19.5324 21.0123 21.0123 k = 0.3511 0.2027-0.0000 ( 2560 PWs) bands (ev): -20.9666 -20.9666 -20.6787 -20.6787 -12.1816 -12.1816 -12.0232 -12.0232 -10.6374 -10.6374 -10.1083 -10.1083 -4.2013 -4.2013 -3.5433 -3.5433 -3.3062 -3.3062 -2.5503 -2.5503 -2.4273 -2.4273 -2.0823 -2.0823 5.8313 5.8313 6.6647 6.6647 6.8238 6.8238 6.8927 6.8927 7.1764 7.1764 7.3708 7.3708 7.7615 7.7615 7.7810 7.7810 8.2587 8.2587 8.7031 8.7031 8.7177 8.7177 9.9867 9.9867 18.1149 18.1149 18.4226 18.4226 19.4075 19.4075 19.4884 19.4884 20.9870 20.9870 k = 0.3617 0.2088-0.0000 ( 2562 PWs) bands (ev): -20.9567 -20.9567 -20.6813 -20.6813 -12.1953 -12.1953 -12.0318 -12.0318 -10.6494 -10.6494 -10.1035 -10.1035 -4.2020 -4.2020 -3.5428 -3.5428 -3.3149 -3.3149 -2.5344 -2.5344 -2.4289 -2.4289 -2.0784 -2.0784 5.8306 5.8306 6.7195 6.7195 6.8409 6.8409 6.8993 6.8993 7.1636 7.1636 7.3842 7.3842 7.7535 7.7535 7.7735 7.7735 8.2627 8.2627 8.6909 8.6909 8.7300 8.7300 9.9816 9.9816 18.1429 18.1429 18.4038 18.4038 19.4085 19.4085 19.4773 19.4773 20.9670 20.9670 k = 0.3723 0.2150-0.0000 ( 2562 PWs) bands (ev): -20.9470 -20.9470 -20.6839 -20.6839 -12.2082 -12.2082 -12.0398 -12.0398 -10.6607 -10.6607 -10.0990 -10.0990 -4.2028 -4.2028 -3.5414 -3.5414 -3.3241 -3.3241 -2.5218 -2.5218 -2.4272 -2.4272 -2.0752 -2.0752 5.8296 5.8296 6.7729 6.7729 6.8536 6.8536 6.9075 6.9075 7.1513 7.1513 7.3959 7.3959 7.7471 7.7471 7.7673 7.7673 8.2674 8.2674 8.6645 8.6645 8.7556 8.7556 9.9767 9.9767 18.1695 18.1695 18.3824 18.3824 19.3682 19.3682 19.5063 19.5063 20.9519 20.9519 k = 0.3830 0.2211-0.0000 ( 2566 PWs) bands (ev): -20.9376 -20.9376 -20.6867 -20.6867 -12.2204 -12.2204 -12.0472 -12.0472 -10.6714 -10.6714 -10.0947 -10.0947 -4.2036 -4.2036 -3.5393 -3.5393 -3.3338 -3.3338 -2.5135 -2.5135 -2.4212 -2.4212 -2.0726 -2.0726 5.8283 5.8283 6.8235 6.8235 6.8643 6.8643 6.9167 6.9167 7.1397 7.1397 7.4055 7.4055 7.7415 7.7415 7.7622 7.7622 8.2730 8.2730 8.6385 8.6385 8.7799 8.7799 9.9721 9.9721 18.1945 18.1945 18.3594 18.3594 19.3216 19.3216 19.5408 19.5408 20.9411 20.9411 k = 0.3936 0.2273-0.0000 ( 2566 PWs) bands (ev): -20.9287 -20.9287 -20.6896 -20.6896 -12.2318 -12.2318 -12.0539 -12.0539 -10.6813 -10.6813 -10.0908 -10.0908 -4.2044 -4.2044 -3.5364 -3.5364 -3.3439 -3.3439 -2.5094 -2.5094 -2.4113 -2.4113 -2.0707 -2.0707 5.8266 5.8266 6.8605 6.8605 6.8842 6.8842 6.9266 6.9266 7.1294 7.1294 7.4129 7.4129 7.7363 7.7363 7.7578 7.7578 8.2797 8.2797 8.6132 8.6132 8.8027 8.8027 9.9678 9.9678 18.2177 18.2177 18.3356 18.3356 19.2754 19.2754 19.5745 19.5745 20.9341 20.9341 k = 0.4043 0.2334-0.0000 ( 2566 PWs) bands (ev): -20.9201 -20.9201 -20.6925 -20.6925 -12.2422 -12.2422 -12.0600 -12.0600 -10.6905 -10.6905 -10.0872 -10.0872 -4.2051 -4.2051 -3.5327 -3.5327 -3.3543 -3.3543 -2.5084 -2.5084 -2.3987 -2.3987 -2.0694 -2.0694 5.8245 5.8245 6.8718 6.8718 6.9212 6.9212 6.9412 6.9412 7.1210 7.1210 7.4179 7.4179 7.7311 7.7311 7.7536 7.7536 8.2875 8.2875 8.5889 8.5889 8.8239 8.8239 9.9638 9.9638 18.2391 18.2391 18.3119 18.3119 19.2311 19.2311 19.6062 19.6062 20.9302 20.9302 k = 0.4149 0.2395-0.0000 ( 2570 PWs) bands (ev): -20.9121 -20.9121 -20.6954 -20.6954 -12.2518 -12.2518 -12.0654 -12.0654 -10.6989 -10.6989 -10.0839 -10.0839 -4.2058 -4.2058 -3.5283 -3.5283 -3.3649 -3.3649 -2.5093 -2.5093 -2.3847 -2.3847 -2.0687 -2.0687 5.8220 5.8220 6.8782 6.8782 6.9389 6.9389 6.9745 6.9745 7.1164 7.1164 7.4202 7.4202 7.7260 7.7260 7.7493 7.7493 8.2961 8.2961 8.5658 8.5658 8.8432 8.8432 9.9602 9.9602 18.2584 18.2584 18.2888 18.2888 19.1895 19.1895 19.6355 19.6355 20.9288 20.9288 k = 0.4255 0.2457-0.0000 ( 2570 PWs) bands (ev): -20.9047 -20.9047 -20.6983 -20.6983 -12.2603 -12.2603 -12.0703 -12.0703 -10.7064 -10.7064 -10.0809 -10.0809 -4.2065 -4.2065 -3.5232 -3.5232 -3.3756 -3.3756 -2.5111 -2.5111 -2.3706 -2.3706 -2.0686 -2.0686 5.8193 5.8193 6.8837 6.8837 6.9487 6.9487 7.0075 7.0075 7.1192 7.1192 7.4197 7.4197 7.7209 7.7209 7.7447 7.7447 8.3054 8.3054 8.5444 8.5444 8.8606 8.8606 9.9570 9.9570 18.2666 18.2666 18.2763 18.2763 19.1514 19.1514 19.6621 19.6621 20.9293 20.9293 k = 0.4362 0.2518-0.0000 ( 2572 PWs) bands (ev): -20.8980 -20.8980 -20.7010 -20.7010 -12.2677 -12.2677 -12.0745 -12.0745 -10.7129 -10.7129 -10.0784 -10.0784 -4.2071 -4.2071 -3.5175 -3.5175 -3.3862 -3.3862 -2.5133 -2.5133 -2.3572 -2.3572 -2.0688 -2.0688 5.8164 5.8164 6.8887 6.8887 6.9574 6.9574 7.0278 7.0278 7.1345 7.1345 7.4160 7.4160 7.7159 7.7159 7.7399 7.7399 8.3148 8.3148 8.5248 8.5248 8.8760 8.8760 9.9542 9.9542 18.2469 18.2469 18.2913 18.2913 19.1172 19.1172 19.6856 19.6856 20.9311 20.9311 k = 0.4468 0.2580-0.0000 ( 2568 PWs) bands (ev): -20.8920 -20.8920 -20.7035 -20.7035 -12.2741 -12.2741 -12.0780 -12.0780 -10.7186 -10.7186 -10.0762 -10.0762 -4.2077 -4.2077 -3.5114 -3.5114 -3.3967 -3.3967 -2.5155 -2.5155 -2.3449 -2.3449 -2.0693 -2.0693 5.8136 5.8136 6.8933 6.8933 6.9654 6.9654 7.0349 7.0349 7.1620 7.1620 7.4091 7.4091 7.7110 7.7110 7.7352 7.7352 8.3239 8.3239 8.5076 8.5076 8.8892 8.8892 9.9517 9.9517 18.2293 18.2293 18.3043 18.3043 19.0875 19.0875 19.7060 19.7060 20.9336 20.9336 k = 0.4574 0.2641-0.0000 ( 2574 PWs) bands (ev): -20.8870 -20.8870 -20.7057 -20.7057 -12.2794 -12.2794 -12.0809 -12.0809 -10.7232 -10.7232 -10.0743 -10.0743 -4.2081 -4.2081 -3.5049 -3.5049 -3.4067 -3.4067 -2.5175 -2.5175 -2.3342 -2.3342 -2.0701 -2.0701 5.8110 5.8110 6.8973 6.8973 6.9725 6.9725 7.0350 7.0350 7.1952 7.1952 7.3989 7.3989 7.7063 7.7063 7.7309 7.7309 8.3321 8.3321 8.4930 8.4930 8.9002 8.9002 9.9497 9.9497 18.2144 18.2144 18.3150 18.3150 19.0626 19.0626 19.7229 19.7229 20.9364 20.9364 k = 0.4681 0.2702-0.0000 ( 2578 PWs) bands (ev): -20.8830 -20.8830 -20.7076 -20.7076 -12.2835 -12.2835 -12.0832 -12.0832 -10.7269 -10.7269 -10.0729 -10.0729 -4.2085 -4.2085 -3.4985 -3.4985 -3.4159 -3.4159 -2.5192 -2.5192 -2.3256 -2.3256 -2.0708 -2.0708 5.8087 5.8087 6.9007 6.9007 6.9786 6.9786 7.0326 7.0326 7.2293 7.2293 7.3852 7.3852 7.7020 7.7020 7.7275 7.7275 8.3390 8.3390 8.4812 8.4812 8.9088 8.9088 9.9482 9.9482 18.2025 18.2025 18.3235 18.3235 19.0429 19.0429 19.7363 19.7363 20.9390 20.9390 k = 0.4787 0.2764-0.0000 ( 2578 PWs) bands (ev): -20.8800 -20.8800 -20.7090 -20.7090 -12.2865 -12.2865 -12.0848 -12.0848 -10.7295 -10.7295 -10.0719 -10.0719 -4.2087 -4.2087 -3.4927 -3.4927 -3.4238 -3.4238 -2.5204 -2.5204 -2.3192 -2.3192 -2.0715 -2.0715 5.8071 5.8071 6.9034 6.9034 6.9832 6.9832 7.0300 7.0300 7.2620 7.2620 7.3680 7.3680 7.6985 7.6985 7.7250 7.7250 8.3442 8.3442 8.4726 8.4726 8.9150 8.9150 9.9470 9.9470 18.1938 18.1938 18.3295 18.3295 19.0287 19.0287 19.7459 19.7459 20.9411 20.9411 k = 0.4894 0.2825-0.0000 ( 2578 PWs) bands (ev): -20.8782 -20.8782 -20.7098 -20.7098 -12.2883 -12.2883 -12.0858 -12.0858 -10.7311 -10.7311 -10.0713 -10.0713 -4.2089 -4.2089 -3.4884 -3.4884 -3.4294 -3.4294 -2.5212 -2.5212 -2.3153 -2.3153 -2.0719 -2.0719 5.8060 5.8060 6.9051 6.9051 6.9861 6.9861 7.0281 7.0281 7.2918 7.2918 7.3479 7.3479 7.6962 7.6962 7.7235 7.7235 8.3475 8.3475 8.4674 8.4674 8.9187 8.9187 9.9463 9.9463 18.1885 18.1885 18.3332 18.3332 19.0200 19.0200 19.7517 19.7517 20.9425 20.9425 k = 0.5000 0.2887-0.0000 ( 2570 PWs) bands (ev): -20.8775 -20.8775 -20.7101 -20.7101 -12.2889 -12.2889 -12.0861 -12.0861 -10.7316 -10.7316 -10.0710 -10.0710 -4.2090 -4.2090 -3.4867 -3.4867 -3.4314 -3.4314 -2.5214 -2.5214 -2.3139 -2.3139 -2.0721 -2.0721 5.8056 5.8056 6.9057 6.9057 6.9871 6.9871 7.0275 7.0275 7.3112 7.3112 7.3317 7.3317 7.6954 7.6954 7.7230 7.7230 8.3486 8.3486 8.4656 8.4656 8.9199 8.9199 9.9461 9.9461 18.1867 18.1867 18.3344 18.3344 19.0171 19.0171 19.7537 19.7537 20.9429 20.9429 k = 0.5000 0.2887-0.0000 ( 2570 PWs) bands (ev): -20.8775 -20.8775 -20.7101 -20.7101 -12.2889 -12.2889 -12.0861 -12.0861 -10.7316 -10.7316 -10.0710 -10.0710 -4.2090 -4.2090 -3.4867 -3.4867 -3.4314 -3.4314 -2.5214 -2.5214 -2.3139 -2.3139 -2.0721 -2.0721 5.8056 5.8056 6.9057 6.9057 6.9871 6.9871 7.0275 7.0275 7.3112 7.3112 7.3317 7.3317 7.6954 7.6954 7.7230 7.7230 8.3486 8.3486 8.4656 8.4656 8.9199 8.9199 9.9461 9.9461 18.1867 18.1867 18.3344 18.3344 19.0171 19.0171 19.7537 19.7537 20.9429 20.9429 k = 0.4940 0.2990-0.0000 ( 2578 PWs) bands (ev): -20.8774 -20.8774 -20.7102 -20.7102 -12.2886 -12.2886 -12.0863 -12.0863 -10.7323 -10.7323 -10.0710 -10.0710 -4.2082 -4.2082 -3.4877 -3.4877 -3.4299 -3.4299 -2.5234 -2.5234 -2.3131 -2.3131 -2.0719 -2.0719 5.8061 5.8061 6.9049 6.9049 6.9813 6.9813 7.0257 7.0257 7.3081 7.3081 7.3390 7.3390 7.6979 7.6979 7.7255 7.7255 8.3487 8.3487 8.4662 8.4662 8.9194 8.9194 9.9460 9.9460 18.1357 18.1357 18.3866 18.3866 19.0180 19.0180 19.7536 19.7536 20.9361 20.9361 k = 0.4881 0.3093-0.0000 ( 2578 PWs) bands (ev): -20.8769 -20.8769 -20.7104 -20.7104 -12.2880 -12.2880 -12.0870 -12.0870 -10.7342 -10.7342 -10.0708 -10.0708 -4.2059 -4.2059 -3.4904 -3.4904 -3.4254 -3.4254 -2.5293 -2.5293 -2.3107 -2.3107 -2.0711 -2.0711 5.8075 5.8075 6.9024 6.9024 6.9653 6.9653 7.0207 7.0207 7.3012 7.3012 7.3573 7.3573 7.7051 7.7051 7.7329 7.7329 8.3491 8.3491 8.4680 8.4680 8.9179 8.9179 9.9456 9.9456 18.0472 18.0472 18.4787 18.4787 19.0206 19.0206 19.7533 19.7533 20.9161 20.9161 k = 0.4821 0.3196-0.0000 ( 2582 PWs) bands (ev): -20.8761 -20.8761 -20.7107 -20.7107 -12.2870 -12.2870 -12.0880 -12.0880 -10.7375 -10.7375 -10.0706 -10.0706 -4.2020 -4.2020 -3.4945 -3.4945 -3.4184 -3.4184 -2.5386 -2.5386 -2.3074 -2.3074 -2.0698 -2.0698 5.8099 5.8099 6.8960 6.8960 6.9436 6.9436 7.0132 7.0132 7.2916 7.2916 7.3830 7.3830 7.7163 7.7163 7.7451 7.7451 8.3498 8.3498 8.4709 8.4709 8.9153 8.9153 9.9450 9.9450 17.9535 17.9535 18.5783 18.5783 19.0249 19.0249 19.7529 19.7529 20.8843 20.8843 k = 0.4762 0.3299-0.0000 ( 2580 PWs) bands (ev): -20.8750 -20.8750 -20.7112 -20.7112 -12.2855 -12.2855 -12.0895 -12.0895 -10.7420 -10.7420 -10.0702 -10.0702 -4.1968 -4.1968 -3.4995 -3.4995 -3.4092 -3.4092 -2.5506 -2.5506 -2.3037 -2.3037 -2.0678 -2.0678 5.8133 5.8133 6.8797 6.8797 6.9252 6.9252 7.0034 7.0034 7.2796 7.2796 7.4136 7.4136 7.7307 7.7307 7.7622 7.7622 8.3509 8.3509 8.4749 8.4749 8.9116 8.9116 9.9442 9.9442 17.8595 17.8595 18.6805 18.6805 19.0309 19.0309 19.7523 19.7523 20.8423 20.8423 k = 0.4702 0.3402-0.0000 ( 2572 PWs) bands (ev): -20.8735 -20.8735 -20.7117 -20.7117 -12.2837 -12.2837 -12.0914 -12.0914 -10.7477 -10.7477 -10.0696 -10.0696 -4.1901 -4.1901 -3.5053 -3.5053 -3.3981 -3.3981 -2.5647 -2.5647 -2.3005 -2.3005 -2.0650 -2.0650 5.8177 5.8177 6.8500 6.8500 6.9155 6.9155 6.9920 6.9920 7.2656 7.2656 7.4472 7.4472 7.7471 7.7471 7.7838 7.7838 8.3524 8.3524 8.4800 8.4800 8.9070 8.9070 9.9431 9.9431 17.7668 17.7668 18.7839 18.7839 19.0385 19.0385 19.7515 19.7515 20.7920 20.7920 k = 0.4643 0.3505-0.0000 ( 2564 PWs) bands (ev): -20.8718 -20.8718 -20.7124 -20.7124 -12.2814 -12.2814 -12.0937 -12.0937 -10.7545 -10.7545 -10.0690 -10.0690 -4.1821 -4.1821 -3.5116 -3.5116 -3.3853 -3.3853 -2.5804 -2.5804 -2.2983 -2.2983 -2.0614 -2.0614 5.8231 5.8231 6.8130 6.8130 6.9101 6.9101 6.9792 6.9792 7.2501 7.2501 7.4822 7.4822 7.7649 7.7649 7.8094 7.8094 8.3545 8.3545 8.4861 8.4861 8.9013 8.9013 9.9418 9.9418 17.6758 17.6758 18.8878 18.8878 19.0478 19.0478 19.7505 19.7505 20.7352 20.7352 k = 0.4583 0.3608-0.0000 ( 2564 PWs) bands (ev): -20.8697 -20.8697 -20.7133 -20.7133 -12.2788 -12.2788 -12.0964 -12.0964 -10.7624 -10.7624 -10.0683 -10.0683 -4.1730 -4.1730 -3.5185 -3.5185 -3.3707 -3.3707 -2.5973 -2.5973 -2.2976 -2.2976 -2.0569 -2.0569 5.8297 5.8297 6.7728 6.7728 6.9060 6.9060 6.9656 6.9656 7.2333 7.2333 7.5178 7.5178 7.7834 7.7834 7.8386 7.8386 8.3573 8.3573 8.4931 8.4931 8.8947 8.8947 9.9403 9.9403 17.5869 17.5869 18.9918 18.9918 19.0586 19.0586 19.7493 19.7493 20.6736 20.6736 k = 0.4524 0.3712-0.0000 ( 2568 PWs) bands (ev): -20.8674 -20.8674 -20.7143 -20.7143 -12.2759 -12.2759 -12.0995 -12.0995 -10.7712 -10.7712 -10.0675 -10.0675 -4.1628 -4.1628 -3.5259 -3.5259 -3.3545 -3.3545 -2.6149 -2.6149 -2.2985 -2.2985 -2.0515 -2.0515 5.8374 5.8374 6.7310 6.7310 6.9021 6.9021 6.9515 6.9515 7.2157 7.2157 7.5533 7.5533 7.8023 7.8023 7.8706 7.8706 8.3609 8.3609 8.5010 8.5010 8.8870 8.8870 9.9387 9.9387 17.5006 17.5006 19.0704 19.0704 19.0961 19.0961 19.7478 19.7478 20.6082 20.6082 k = 0.4464 0.3815-0.0000 ( 2564 PWs) bands (ev): -20.8647 -20.8647 -20.7154 -20.7154 -12.2727 -12.2727 -12.1029 -12.1029 -10.7808 -10.7808 -10.0666 -10.0666 -4.1516 -4.1516 -3.5337 -3.5337 -3.3367 -3.3367 -2.6329 -2.6329 -2.3013 -2.3013 -2.0454 -2.0454 5.8462 5.8462 6.6887 6.6887 6.8979 6.8979 6.9374 6.9374 7.1975 7.1975 7.5883 7.5883 7.8211 7.8211 7.9050 7.9050 8.3654 8.3654 8.5096 8.5096 8.8784 8.8784 9.9369 9.9369 17.4169 17.4169 19.0843 19.0843 19.1992 19.1992 19.7461 19.7461 20.5405 20.5405 k = 0.4405 0.3918-0.0000 ( 2560 PWs) bands (ev): -20.8618 -20.8618 -20.7167 -20.7167 -12.2691 -12.2691 -12.1066 -12.1066 -10.7912 -10.7912 -10.0656 -10.0656 -4.1397 -4.1397 -3.5419 -3.5419 -3.3175 -3.3175 -2.6512 -2.6512 -2.3060 -2.3060 -2.0388 -2.0388 5.8562 5.8562 6.6462 6.6462 6.8932 6.8932 6.9237 6.9237 7.1789 7.1789 7.6224 7.6224 7.8394 7.8394 7.9413 7.9413 8.3710 8.3710 8.5189 8.5189 8.8688 8.8688 9.9349 9.9349 17.3360 17.3360 19.0993 19.0993 19.3018 19.3018 19.7442 19.7442 20.4712 20.4712 k = 0.4345 0.4021-0.0000 ( 2564 PWs) bands (ev): -20.8586 -20.8586 -20.7182 -20.7182 -12.2654 -12.2654 -12.1106 -12.1106 -10.8021 -10.8021 -10.0646 -10.0646 -4.1271 -4.1271 -3.5504 -3.5504 -3.2969 -3.2969 -2.6694 -2.6694 -2.3123 -2.3123 -2.0318 -2.0318 5.8675 5.8675 6.6040 6.6040 6.8876 6.8876 6.9111 6.9111 7.1601 7.1601 7.6554 7.6554 7.8569 7.8569 7.9789 7.9789 8.3776 8.3776 8.5286 8.5286 8.8584 8.8584 9.9328 9.9328 17.2584 17.2584 19.1153 19.1153 19.4034 19.4034 19.7419 19.7419 20.4012 20.4012 k = 0.4286 0.4124-0.0000 ( 2564 PWs) bands (ev): -20.8552 -20.8552 -20.7198 -20.7198 -12.2614 -12.2614 -12.1149 -12.1149 -10.8135 -10.8135 -10.0635 -10.0635 -4.1140 -4.1140 -3.5592 -3.5592 -3.2750 -3.2750 -2.6874 -2.6874 -2.3202 -2.3202 -2.0247 -2.0247 5.8800 5.8800 6.5625 6.5625 6.8805 6.8805 6.9003 6.9003 7.1412 7.1412 7.6870 7.6870 7.8733 7.8733 8.0177 8.0177 8.3856 8.3856 8.5387 8.5387 8.8470 8.8470 9.9307 9.9307 17.1840 17.1840 19.1325 19.1325 19.5036 19.5036 19.7395 19.7395 20.3313 20.3313 k = 0.4226 0.4227-0.0000 ( 2568 PWs) bands (ev): -20.8515 -20.8515 -20.7216 -20.7216 -12.2572 -12.2572 -12.1194 -12.1194 -10.8251 -10.8251 -10.0624 -10.0624 -4.1005 -4.1005 -3.5683 -3.5683 -3.2522 -3.2522 -2.7050 -2.7050 -2.3293 -2.3293 -2.0176 -2.0176 5.8936 5.8936 6.5218 6.5218 6.8716 6.8716 6.8917 6.8917 7.1223 7.1223 7.7172 7.7172 7.8885 7.8885 8.0571 8.0571 8.3948 8.3948 8.5489 8.5489 8.8347 8.8347 9.9284 9.9284 17.1131 17.1131 19.1504 19.1504 19.6021 19.6021 19.7370 19.7370 20.2620 20.2620 k = 0.4167 0.4330-0.0000 ( 2560 PWs) bands (ev): -20.8475 -20.8475 -20.7236 -20.7236 -12.2529 -12.2529 -12.1242 -12.1242 -10.8369 -10.8369 -10.0612 -10.0612 -4.0868 -4.0868 -3.5776 -3.5776 -3.2285 -3.2285 -2.7220 -2.7220 -2.3396 -2.3396 -2.0109 -2.0109 5.9085 5.9085 6.4822 6.4822 6.8616 6.8616 6.8847 6.8847 7.1035 7.1035 7.7457 7.7457 7.9022 7.9022 8.0970 8.0970 8.4052 8.4052 8.5592 8.5592 8.8217 8.8217 9.9261 9.9261 17.0459 17.0459 19.1692 19.1692 19.6969 19.6969 19.7363 19.7363 20.1942 20.1942 k = 0.4107 0.4433-0.0000 ( 2564 PWs) bands (ev): -20.8434 -20.8434 -20.7258 -20.7258 -12.2484 -12.2484 -12.1291 -12.1291 -10.8488 -10.8488 -10.0601 -10.0601 -4.0729 -4.0729 -3.5869 -3.5869 -3.2043 -3.2043 -2.7382 -2.7382 -2.3506 -2.3506 -2.0046 -2.0046 5.9244 5.9244 6.4439 6.4439 6.8514 6.8514 6.8786 6.8786 7.0849 7.0849 7.7725 7.7725 7.9145 7.9145 8.1369 8.1369 8.4168 8.4168 8.5693 8.5693 8.8078 8.8078 9.9238 9.9238 16.9825 16.9825 19.1884 19.1884 19.7278 19.7278 19.7970 19.7970 20.1282 20.1282 k = 0.4048 0.4536-0.0000 ( 2556 PWs) bands (ev): -20.8390 -20.8390 -20.7282 -20.7282 -12.2439 -12.2439 -12.1341 -12.1341 -10.8604 -10.8604 -10.0589 -10.0589 -4.0592 -4.0592 -3.5963 -3.5963 -3.1799 -3.1799 -2.7536 -2.7536 -2.3622 -2.3622 -1.9988 -1.9988 5.9414 5.9414 6.4071 6.4071 6.8416 6.8416 6.8729 6.8729 7.0666 7.0666 7.7975 7.7975 7.9252 7.9252 8.1767 8.1767 8.4294 8.4294 8.5790 8.5790 8.7931 8.7931 9.9216 9.9216 16.9232 16.9232 19.2079 19.2079 19.7252 19.7252 19.8887 19.8887 20.0649 20.0649 k = 0.3988 0.4639-0.0000 ( 2556 PWs) bands (ev): -20.8344 -20.8344 -20.7308 -20.7308 -12.2394 -12.2394 -12.1392 -12.1392 -10.8718 -10.8718 -10.0577 -10.0577 -4.0456 -4.0456 -3.6056 -3.6056 -3.1557 -3.1557 -2.7680 -2.7680 -2.3742 -2.3742 -1.9938 -1.9938 5.9593 5.9593 6.3719 6.3719 6.8326 6.8326 6.8673 6.8673 7.0487 7.0487 7.8207 7.8207 7.9345 7.9345 8.2161 8.2161 8.4429 8.4429 8.5882 8.5882 8.7776 8.7776 9.9193 9.9193 16.8681 16.8681 19.2274 19.2274 19.7216 19.7216 19.9761 19.9761 20.0071 20.0071 k = 0.3929 0.4743-0.0000 ( 2554 PWs) bands (ev): -20.8297 -20.8297 -20.7337 -20.7337 -12.2349 -12.2349 -12.1443 -12.1443 -10.8828 -10.8828 -10.0566 -10.0566 -4.0324 -4.0324 -3.6148 -3.6148 -3.1320 -3.1320 -2.7811 -2.7811 -2.3861 -2.3861 -1.9895 -1.9895 5.9778 5.9778 6.3387 6.3387 6.8244 6.8244 6.8617 6.8617 7.0314 7.0314 7.8419 7.8419 7.9425 7.9425 8.2550 8.2550 8.4570 8.4570 8.5965 8.5965 8.7615 8.7615 9.9171 9.9171 16.8172 16.8172 19.2465 19.2465 19.7176 19.7176 19.9460 19.9460 20.0678 20.0678 k = 0.3869 0.4846-0.0000 ( 2554 PWs) bands (ev): -20.8248 -20.8248 -20.7367 -20.7367 -12.2304 -12.2304 -12.1495 -12.1495 -10.8933 -10.8933 -10.0555 -10.0555 -4.0197 -4.0197 -3.6237 -3.6237 -3.1093 -3.1093 -2.7929 -2.7929 -2.3977 -2.3977 -1.9859 -1.9859 5.9969 5.9969 6.3075 6.3075 6.8170 6.8170 6.8562 6.8562 7.0148 7.0148 7.8612 7.8612 7.9493 7.9493 8.2929 8.2929 8.4716 8.4716 8.6038 8.6038 8.7447 8.7447 9.9150 9.9150 16.7709 16.7709 19.2649 19.2649 19.7135 19.7135 19.8935 19.8935 20.1522 20.1522 k = 0.3810 0.4949-0.0000 ( 2550 PWs) bands (ev): -20.8197 -20.8197 -20.7400 -20.7400 -12.2260 -12.2260 -12.1546 -12.1546 -10.9030 -10.9030 -10.0544 -10.0544 -4.0076 -4.0076 -3.6323 -3.6323 -3.0880 -3.0880 -2.8032 -2.8032 -2.4088 -2.4088 -1.9832 -1.9832 6.0162 6.0162 6.2785 6.2785 6.8106 6.8106 6.8508 6.8508 6.9990 6.9990 7.8785 7.8785 7.9549 7.9549 8.3298 8.3298 8.4864 8.4864 8.6099 8.6099 8.7272 8.7272 9.9131 9.9131 16.7291 16.7291 19.2821 19.2821 19.7092 19.7092 19.8455 19.8455 20.2337 20.2337 k = 0.3750 0.5052-0.0000 ( 2558 PWs) bands (ev): -20.8145 -20.8145 -20.7436 -20.7436 -12.2218 -12.2218 -12.1596 -12.1596 -10.9119 -10.9119 -10.0534 -10.0534 -3.9963 -3.9963 -3.6404 -3.6404 -3.0687 -3.0687 -2.8118 -2.8118 -2.4190 -2.4190 -1.9811 -1.9811 6.0353 6.0353 6.2518 6.2518 6.8051 6.8051 6.8456 6.8456 6.9843 6.9843 7.8938 7.8938 7.9596 7.9596 8.3654 8.3654 8.5012 8.5012 8.6146 8.6146 8.7092 8.7092 9.9113 9.9113 16.6920 16.6920 19.2977 19.2977 19.7050 19.7050 19.8027 19.8027 20.3118 20.3118 k = 0.3690 0.5155-0.0000 ( 2556 PWs) bands (ev): -20.8092 -20.8092 -20.7474 -20.7474 -12.2177 -12.2177 -12.1644 -12.1644 -10.9199 -10.9199 -10.0526 -10.0526 -3.9861 -3.9861 -3.6479 -3.6479 -3.0517 -3.0517 -2.8188 -2.8188 -2.4281 -2.4281 -1.9798 -1.9798 6.0539 6.0539 6.2278 6.2278 6.8003 6.8003 6.8408 6.8408 6.9709 6.9709 7.9070 7.9070 7.9635 7.9635 8.3995 8.3995 8.5159 8.5159 8.6177 8.6177 8.6906 8.6906 9.9096 9.9096 16.6598 16.6598 19.3111 19.3111 19.7007 19.7007 19.7661 19.7661 20.3864 20.3864 k = 0.3631 0.5258-0.0000 ( 2556 PWs) bands (ev): -20.8038 -20.8038 -20.7515 -20.7515 -12.2139 -12.2139 -12.1691 -12.1691 -10.9268 -10.9268 -10.0517 -10.0517 -3.9770 -3.9770 -3.6546 -3.6546 -3.0375 -3.0375 -2.8242 -2.8242 -2.4358 -2.4358 -1.9790 -1.9790 6.0714 6.0714 6.2067 6.2067 6.7964 6.7964 6.8364 6.8364 6.9589 6.9589 7.9181 7.9181 7.9667 7.9667 8.4320 8.4320 8.5302 8.5302 8.6190 8.6190 8.6715 8.6715 9.9082 9.9082 16.6324 16.6324 19.3218 19.3218 19.6965 19.6965 19.7360 19.7360 20.4573 20.4573 k = 0.3571 0.5361-0.0000 ( 2558 PWs) bands (ev): -20.7984 -20.7984 -20.7558 -20.7558 -12.2104 -12.2104 -12.1733 -12.1733 -10.9326 -10.9326 -10.0510 -10.0510 -3.9692 -3.9692 -3.6604 -3.6604 -3.0261 -3.0261 -2.8280 -2.8280 -2.4419 -2.4419 -1.9787 -1.9787 6.0872 6.0872 6.1887 6.1887 6.7931 6.7931 6.8327 6.8327 6.9486 6.9486 7.9272 7.9272 7.9693 7.9693 8.4627 8.4627 8.5440 8.5440 8.6183 8.6183 8.6521 8.6521 9.9069 9.9069 16.6099 16.6099 19.3295 19.3295 19.6922 19.6922 19.7132 19.7132 20.5241 20.5241 k = 0.3512 0.5464-0.0000 ( 2554 PWs) bands (ev): -20.7928 -20.7928 -20.7604 -20.7604 -12.2072 -12.2072 -12.1771 -12.1771 -10.9372 -10.9372 -10.0505 -10.0505 -3.9630 -3.9630 -3.6651 -3.6651 -3.0177 -3.0177 -2.8305 -2.8305 -2.4464 -2.4464 -1.9787 -1.9787 6.1004 6.1004 6.1743 6.1743 6.7906 6.7906 6.8298 6.8298 6.9403 6.9403 7.9341 7.9341 7.9713 7.9713 8.4913 8.4913 8.5573 8.5573 8.6155 8.6155 8.6324 8.6324 9.9060 9.9060 16.5924 16.5924 19.3342 19.3342 19.6874 19.6874 19.6982 19.6982 20.5868 20.5868 k = 0.3452 0.5567-0.0000 ( 2556 PWs) bands (ev): -20.7872 -20.7872 -20.7653 -20.7653 -12.2047 -12.2047 -12.1802 -12.1802 -10.9406 -10.9406 -10.0501 -10.0501 -3.9584 -3.9584 -3.6685 -3.6685 -3.0119 -3.0119 -2.8321 -2.8321 -2.4493 -2.4493 -1.9790 -1.9790 6.1100 6.1100 6.1643 6.1643 6.7888 6.7888 6.8277 6.8277 6.9341 6.9341 7.9390 7.9390 7.9727 7.9727 8.5175 8.5175 8.5698 8.5698 8.6094 8.6094 8.6137 8.6137 9.9052 9.9052 16.5800 16.5800 19.3363 19.3363 19.6818 19.6818 19.6907 19.6907 20.6451 20.6451 k = 0.3393 0.5670-0.0000 ( 2560 PWs) bands (ev): -20.7816 -20.7816 -20.7705 -20.7705 -12.2030 -12.2030 -12.1823 -12.1823 -10.9426 -10.9426 -10.0498 -10.0498 -3.9556 -3.9556 -3.6706 -3.6706 -3.0087 -3.0087 -2.8329 -2.8329 -2.4508 -2.4508 -1.9792 -1.9792 6.1151 6.1151 6.1592 6.1592 6.7877 6.7877 6.8264 6.8264 6.9303 6.9303 7.9419 7.9419 7.9736 7.9736 8.5401 8.5401 8.5814 8.5814 8.5935 8.5935 8.6038 8.6038 9.9048 9.9048 16.5725 16.5725 19.3368 19.3368 19.6782 19.6782 19.6874 19.6874 20.6985 20.6985 k = 0.3333 0.5774-0.0000 ( 2556 PWs) bands (ev): -20.7760 -20.7760 -20.7760 -20.7760 -12.2024 -12.2024 -12.1830 -12.1830 -10.9433 -10.9433 -10.0497 -10.0497 -3.9547 -3.9547 -3.6713 -3.6713 -3.0077 -3.0077 -2.8332 -2.8332 -2.4512 -2.4512 -1.9794 -1.9794 6.1163 6.1163 6.1580 6.1580 6.7874 6.7874 6.8260 6.8260 6.9290 6.9290 7.9429 7.9429 7.9739 7.9739 8.5525 8.5525 8.5812 8.5812 8.5926 8.5926 8.5953 8.5953 9.9046 9.9046 16.5701 16.5701 19.3367 19.3367 19.6773 19.6773 19.6862 19.6862 20.7375 20.7375 k = 0.3333 0.5774-0.0000 ( 2556 PWs) bands (ev): -20.7760 -20.7760 -20.7760 -20.7760 -12.2024 -12.2024 -12.1830 -12.1830 -10.9433 -10.9433 -10.0497 -10.0497 -3.9547 -3.9547 -3.6713 -3.6713 -3.0077 -3.0077 -2.8332 -2.8332 -2.4512 -2.4512 -1.9794 -1.9794 6.1163 6.1163 6.1580 6.1580 6.7874 6.7874 6.8260 6.8260 6.9290 6.9290 7.9429 7.9429 7.9739 7.9739 8.5525 8.5525 8.5812 8.5812 8.5926 8.5926 8.5953 8.5953 9.9046 9.9046 16.5701 16.5701 19.3367 19.3367 19.6773 19.6773 19.6862 19.6862 20.7375 20.7375 k = 0.3273 0.5669-0.0000 ( 2560 PWs) bands (ev): -20.7819 -20.7819 -20.7703 -20.7703 -12.2029 -12.2029 -12.1823 -12.1823 -10.9426 -10.9426 -10.0498 -10.0498 -3.9557 -3.9557 -3.6706 -3.6706 -3.0087 -3.0087 -2.8329 -2.8329 -2.4509 -2.4509 -1.9792 -1.9792 6.1159 6.1159 6.1583 6.1583 6.7877 6.7877 6.8265 6.8265 6.9304 6.9304 7.9419 7.9419 7.9736 7.9736 8.5406 8.5406 8.5802 8.5802 8.5931 8.5931 8.6048 8.6048 9.9048 9.9048 16.5726 16.5726 19.3372 19.3372 19.6775 19.6775 19.6877 19.6877 20.6997 20.6997 k = 0.3212 0.5564-0.0000 ( 2556 PWs) bands (ev): -20.7881 -20.7881 -20.7646 -20.7646 -12.2041 -12.2041 -12.1806 -12.1806 -10.9405 -10.9405 -10.0501 -10.0501 -3.9584 -3.9584 -3.6685 -3.6685 -3.0115 -3.0115 -2.8319 -2.8319 -2.4505 -2.4505 -1.9786 -1.9786 6.1160 6.1160 6.1580 6.1580 6.7883 6.7883 6.8280 6.8280 6.9343 6.9343 7.9388 7.9388 7.9728 7.9728 8.5204 8.5204 8.5654 8.5654 8.6088 8.6088 8.6153 8.6153 9.9053 9.9053 16.5802 16.5802 19.3394 19.3394 19.6777 19.6777 19.6919 19.6919 20.6514 20.6514 k = 0.3152 0.5459-0.0000 ( 2556 PWs) bands (ev): -20.7946 -20.7946 -20.7589 -20.7589 -12.2055 -12.2055 -12.1782 -12.1782 -10.9369 -10.9369 -10.0506 -10.0506 -3.9629 -3.9629 -3.6651 -3.6651 -3.0160 -3.0160 -2.8300 -2.8300 -2.4503 -2.4503 -1.9774 -1.9774 6.1170 6.1170 6.1567 6.1567 6.7890 6.7890 6.8308 6.8308 6.9406 6.9406 7.9336 7.9336 7.9717 7.9717 8.4987 8.4987 8.5477 8.5477 8.6230 8.6230 8.6260 8.6260 9.9061 9.9061 16.5926 16.5926 19.3442 19.3442 19.6780 19.6780 19.6978 19.6978 20.6021 20.6021 k = 0.3091 0.5354-0.0000 ( 2550 PWs) bands (ev): -20.8014 -20.8014 -20.7533 -20.7533 -12.2068 -12.2068 -12.1754 -12.1754 -10.9320 -10.9320 -10.0514 -10.0514 -3.9688 -3.9688 -3.6606 -3.6606 -3.0220 -3.0220 -2.8269 -2.8269 -2.4510 -2.4510 -1.9756 -1.9756 6.1175 6.1175 6.1559 6.1559 6.7894 6.7894 6.8351 6.8351 6.9488 6.9488 7.9260 7.9260 7.9706 7.9706 8.4764 8.4764 8.5273 8.5273 8.6340 8.6340 8.6377 8.6377 9.9073 9.9073 16.6098 16.6098 19.3523 19.3523 19.6788 19.6788 19.7041 19.7041 20.5519 20.5519 k = 0.3030 0.5249-0.0000 ( 2554 PWs) bands (ev): -20.8085 -20.8085 -20.7478 -20.7478 -12.2077 -12.2077 -12.1723 -12.1723 -10.9257 -10.9257 -10.0524 -10.0524 -3.9760 -3.9760 -3.6551 -3.6551 -3.0295 -3.0295 -2.8226 -2.8226 -2.4527 -2.4527 -1.9733 -1.9733 6.1148 6.1148 6.1588 6.1588 6.7894 6.7894 6.8409 6.8409 6.9584 6.9584 7.9160 7.9160 7.9695 7.9695 8.4539 8.4539 8.5045 8.5045 8.6436 8.6436 8.6481 8.6481 9.9088 9.9088 16.6316 16.6316 19.3641 19.3641 19.6802 19.6802 19.7102 19.7102 20.5008 20.5008 k = 0.2970 0.5144-0.0000 ( 2554 PWs) bands (ev): -20.8159 -20.8159 -20.7424 -20.7424 -12.2082 -12.2082 -12.1689 -12.1689 -10.9181 -10.9181 -10.0536 -10.0536 -3.9843 -3.9843 -3.6489 -3.6489 -3.0381 -3.0381 -2.8168 -2.8168 -2.4557 -2.4557 -1.9705 -1.9705 6.1070 6.1070 6.1675 6.1675 6.7890 6.7890 6.8480 6.8480 6.9685 6.9685 7.9034 7.9034 7.9688 7.9688 8.4311 8.4311 8.4794 8.4794 8.6530 8.6530 8.6565 8.6565 9.9107 9.9107 16.6578 16.6578 19.3798 19.3798 19.6822 19.6822 19.7155 19.7155 20.4487 20.4487 k = 0.2909 0.5039-0.0000 ( 2546 PWs) bands (ev): -20.8236 -20.8236 -20.7371 -20.7371 -12.2082 -12.2082 -12.1652 -12.1652 -10.9092 -10.9092 -10.0551 -10.0551 -3.9934 -3.9934 -3.6421 -3.6421 -3.0477 -3.0477 -2.8096 -2.8096 -2.4601 -2.4601 -1.9673 -1.9673 6.0950 6.0950 6.1814 6.1814 6.7883 6.7883 6.8562 6.8562 6.9786 6.9786 7.8882 7.8882 7.9687 7.9687 8.4084 8.4084 8.4521 8.4521 8.6615 8.6615 8.6634 8.6634 9.9129 9.9129 16.6881 16.6881 19.3994 19.3994 19.6849 19.6849 19.7199 19.7199 20.3954 20.3954 k = 0.2848 0.4934-0.0000 ( 2542 PWs) bands (ev): -20.8316 -20.8316 -20.7319 -20.7319 -12.2077 -12.2077 -12.1612 -12.1612 -10.8992 -10.8992 -10.0568 -10.0568 -4.0031 -4.0031 -3.6348 -3.6348 -3.0581 -3.0581 -2.8011 -2.8011 -2.4660 -2.4660 -1.9639 -1.9639 6.0802 6.0802 6.1997 6.1997 6.7876 6.7876 6.8652 6.8652 6.9878 6.9878 7.8703 7.8703 7.9694 7.9694 8.3856 8.3856 8.4229 8.4229 8.6657 8.6657 8.6725 8.6725 9.9155 9.9155 16.7222 16.7222 19.4226 19.4226 19.6883 19.6883 19.7234 19.7234 20.3408 20.3408 k = 0.2788 0.4829-0.0000 ( 2542 PWs) bands (ev): -20.8399 -20.8399 -20.7268 -20.7268 -12.2065 -12.2065 -12.1569 -12.1569 -10.8880 -10.8880 -10.0588 -10.0588 -4.0134 -4.0134 -3.6273 -3.6273 -3.0690 -3.0690 -2.7913 -2.7913 -2.4732 -2.4732 -1.9605 -1.9605 6.0634 6.0634 6.2216 6.2216 6.7869 6.7869 6.8744 6.8744 6.9957 6.9957 7.8495 7.8495 7.9712 7.9712 8.3628 8.3628 8.3922 8.3922 8.6671 8.6671 8.6823 8.6823 9.9185 9.9185 16.7599 16.7599 19.4489 19.4489 19.6924 19.6924 19.7263 19.7263 20.2848 20.2848 k = 0.2727 0.4724-0.0000 ( 2542 PWs) bands (ev): -20.8484 -20.8484 -20.7219 -20.7219 -12.2047 -12.2047 -12.1521 -12.1521 -10.8758 -10.8758 -10.0611 -10.0611 -4.0239 -4.0239 -3.6197 -3.6197 -3.0803 -3.0803 -2.7804 -2.7804 -2.4816 -2.4816 -1.9574 -1.9574 6.0453 6.0453 6.2468 6.2468 6.7864 6.7864 6.8834 6.8834 7.0017 7.0017 7.8259 7.8259 7.9742 7.9742 8.3402 8.3402 8.3601 8.3601 8.6664 8.6664 8.6925 8.6925 9.9217 9.9217 16.8008 16.8008 19.4772 19.4772 19.6970 19.6970 19.7295 19.7295 20.2273 20.2273 k = 0.2667 0.4619-0.0000 ( 2544 PWs) bands (ev): -20.8572 -20.8572 -20.7171 -20.7171 -12.2023 -12.2023 -12.1470 -12.1470 -10.8626 -10.8626 -10.0636 -10.0636 -4.0346 -4.0346 -3.6120 -3.6120 -3.0917 -3.0917 -2.7686 -2.7686 -2.4909 -2.4909 -1.9548 -1.9548 6.0263 6.0263 6.2750 6.2750 6.7861 6.7861 6.8915 6.8915 7.0058 7.0058 7.7993 7.7993 7.9787 7.9787 8.3178 8.3178 8.3271 8.3271 8.6635 8.6635 8.7032 8.7032 9.9253 9.9253 16.8446 16.8446 19.5056 19.5056 19.7023 19.7023 19.7348 19.7348 20.1680 20.1680 k = 0.2606 0.4514-0.0000 ( 2548 PWs) bands (ev): -20.8663 -20.8663 -20.7126 -20.7126 -12.1991 -12.1991 -12.1413 -12.1413 -10.8486 -10.8486 -10.0665 -10.0665 -4.0453 -4.0453 -3.6044 -3.6044 -3.1031 -3.1031 -2.7561 -2.7561 -2.5008 -2.5008 -1.9528 -1.9528 6.0069 6.0069 6.3058 6.3058 6.7861 6.7861 6.8976 6.8976 7.0085 7.0085 7.7698 7.7698 7.9847 7.9847 8.2937 8.2937 8.2956 8.2956 8.6587 8.6587 8.7143 8.7143 9.9292 9.9292 16.8908 16.8908 19.5307 19.5307 19.7082 19.7082 19.7452 19.7452 20.1070 20.1070 k = 0.2545 0.4409-0.0000 ( 2544 PWs) bands (ev): -20.8756 -20.8756 -20.7081 -20.7081 -12.1953 -12.1953 -12.1352 -12.1352 -10.8337 -10.8337 -10.0696 -10.0696 -4.0559 -4.0559 -3.5969 -3.5969 -3.1143 -3.1143 -2.7432 -2.7432 -2.5111 -2.5111 -1.9516 -1.9516 5.9872 5.9872 6.3390 6.3390 6.7865 6.7865 6.9003 6.9003 7.0109 7.0109 7.7372 7.7372 7.9922 7.9922 8.2603 8.2603 8.2737 8.2737 8.6520 8.6520 8.7260 8.7260 9.9334 9.9334 16.9390 16.9390 19.5484 19.5484 19.7147 19.7147 19.7647 19.7647 20.0441 20.0441 k = 0.2485 0.4304-0.0000 ( 2544 PWs) bands (ev): -20.8852 -20.8852 -20.7039 -20.7039 -12.1908 -12.1908 -12.1284 -12.1284 -10.8182 -10.8182 -10.0729 -10.0729 -4.0664 -4.0664 -3.5895 -3.5895 -3.1253 -3.1253 -2.7302 -2.7302 -2.5213 -2.5213 -1.9514 -1.9514 5.9677 5.9677 6.3742 6.3742 6.7872 6.7872 6.8978 6.8978 7.0145 7.0145 7.7015 7.7015 8.0011 8.0011 8.2273 8.2273 8.2521 8.2521 8.6436 8.6436 8.7382 8.7382 9.9379 9.9379 16.9887 16.9887 19.5556 19.5556 19.7217 19.7217 19.7962 19.7962 19.9792 19.9792 k = 0.2424 0.4199-0.0000 ( 2542 PWs) bands (ev): -20.8949 -20.8949 -20.6999 -20.6999 -12.1856 -12.1856 -12.1211 -12.1211 -10.8020 -10.8020 -10.0765 -10.0765 -4.0767 -4.0767 -3.5824 -3.5824 -3.1359 -3.1359 -2.7176 -2.7176 -2.5309 -2.5309 -1.9523 -1.9523 5.9486 5.9486 6.4108 6.4108 6.7880 6.7880 6.8891 6.8891 7.0205 7.0205 7.6630 7.6630 8.0112 8.0112 8.1952 8.1952 8.2309 8.2309 8.6335 8.6335 8.7509 8.7509 9.9427 9.9427 17.0396 17.0396 19.5523 19.5523 19.7291 19.7291 19.8392 19.8392 19.9129 19.9129 k = 0.2364 0.4094-0.0000 ( 2538 PWs) bands (ev): -20.9049 -20.9049 -20.6961 -20.6961 -12.1798 -12.1798 -12.1132 -12.1132 -10.7853 -10.7853 -10.0804 -10.0804 -4.0866 -4.0866 -3.5756 -3.5756 -3.1461 -3.1461 -2.7060 -2.7060 -2.5392 -2.5392 -1.9543 -1.9543 5.9301 5.9301 6.4485 6.4485 6.7886 6.7886 6.8740 6.8740 7.0293 7.0293 7.6217 7.6217 8.0222 8.0222 8.1645 8.1645 8.2103 8.2103 8.6219 8.6219 8.7641 8.7641 9.9478 9.9478 17.0910 17.0910 19.5405 19.5405 19.7371 19.7371 19.8412 19.8412 19.8953 19.8953 k = 0.2303 0.3989-0.0000 ( 2534 PWs) bands (ev): -20.9150 -20.9150 -20.6925 -20.6925 -12.1732 -12.1732 -12.1047 -12.1047 -10.7681 -10.7681 -10.0845 -10.0845 -4.0962 -4.0962 -3.5690 -3.5690 -3.1558 -3.1558 -2.6960 -2.6960 -2.5456 -2.5456 -1.9576 -1.9576 5.9124 5.9124 6.4863 6.4863 6.7880 6.7880 6.8544 6.8544 7.0405 7.0405 7.5781 7.5781 8.0335 8.0335 8.1356 8.1356 8.1902 8.1902 8.6090 8.6090 8.7777 8.7777 9.9531 9.9531 17.1424 17.1424 19.5221 19.5221 19.7457 19.7457 19.7711 19.7711 19.9553 19.9553 k = 0.2242 0.3884-0.0000 ( 2534 PWs) bands (ev): -20.9252 -20.9252 -20.6890 -20.6890 -12.1659 -12.1659 -12.0955 -12.0955 -10.7506 -10.7506 -10.0889 -10.0889 -4.1054 -4.1054 -3.5627 -3.5627 -3.1651 -3.1651 -2.6886 -2.6886 -2.5490 -2.5490 -1.9621 -1.9621 5.8957 5.8957 6.5236 6.5236 6.7826 6.7826 6.8344 6.8344 7.0535 7.0535 7.5326 7.5326 8.0448 8.0448 8.1092 8.1092 8.1707 8.1707 8.5948 8.5948 8.7918 8.7918 9.9586 9.9586 17.1933 17.1933 19.4987 19.4987 19.6980 19.6980 19.7550 19.7550 20.0222 20.0222 k = 0.2182 0.3779-0.0000 ( 2534 PWs) bands (ev): -20.9357 -20.9357 -20.6858 -20.6858 -12.1580 -12.1580 -12.0857 -12.0857 -10.7327 -10.7327 -10.0934 -10.0934 -4.1141 -4.1141 -3.5568 -3.5568 -3.1739 -3.1739 -2.6846 -2.6846 -2.5487 -2.5487 -1.9678 -1.9678 5.8801 5.8801 6.5593 6.5593 6.7651 6.7651 6.8225 6.8225 7.0678 7.0678 7.4859 7.4859 8.0550 8.0550 8.0861 8.0861 8.1520 8.1520 8.5794 8.5794 8.8062 8.8062 9.9643 9.9643 17.2431 17.2431 19.4712 19.4712 19.6228 19.6228 19.7651 19.7651 20.0940 20.0940 k = 0.2121 0.3674-0.0000 ( 2536 PWs) bands (ev): -20.9462 -20.9462 -20.6829 -20.6829 -12.1495 -12.1495 -12.0753 -12.0753 -10.7147 -10.7147 -10.0982 -10.0982 -4.1224 -4.1224 -3.5511 -3.5511 -3.1822 -3.1822 -2.6843 -2.6843 -2.5443 -2.5443 -1.9748 -1.9748 5.8659 5.8659 6.5920 6.5920 6.7347 6.7347 6.8202 6.8202 7.0829 7.0829 7.4389 7.4389 8.0581 8.0581 8.0723 8.0723 8.1343 8.1343 8.5631 8.5631 8.8209 8.8209 9.9702 9.9702 17.2912 17.2912 19.4401 19.4401 19.5458 19.5458 19.7760 19.7760 20.1698 20.1698 k = 0.2061 0.3569-0.0000 ( 2540 PWs) bands (ev): -20.9568 -20.9568 -20.6801 -20.6801 -12.1403 -12.1403 -12.0643 -12.0643 -10.6965 -10.6965 -10.1032 -10.1032 -4.1302 -4.1302 -3.5457 -3.5457 -3.1900 -3.1900 -2.6873 -2.6873 -2.5363 -2.5363 -1.9829 -1.9829 5.8531 5.8531 6.6195 6.6195 6.6979 6.6979 6.8224 6.8224 7.0984 7.0984 7.3928 7.3928 8.0451 8.0451 8.0763 8.0763 8.1182 8.1182 8.5459 8.5459 8.8359 8.8359 9.9763 9.9763 17.3372 17.3372 19.4055 19.4055 19.4676 19.4676 19.7879 19.7879 20.2491 20.2491 k = 0.2000 0.3464-0.0000 ( 2538 PWs) bands (ev): -20.9675 -20.9675 -20.6775 -20.6775 -12.1305 -12.1305 -12.0527 -12.0527 -10.6782 -10.6782 -10.1084 -10.1084 -4.1375 -4.1375 -3.5405 -3.5405 -3.1973 -3.1973 -2.6928 -2.6928 -2.5255 -2.5255 -1.9920 -1.9920 5.8419 5.8419 6.6328 6.6328 6.6651 6.6651 6.8265 6.8265 7.1138 7.1138 7.3492 7.3492 8.0331 8.0331 8.0793 8.0793 8.1056 8.1056 8.5279 8.5279 8.8511 8.8511 9.9825 9.9825 17.3805 17.3805 19.3640 19.3640 19.3920 19.3920 19.8010 19.8010 20.3310 20.3310 k = 0.1939 0.3359-0.0000 ( 2538 PWs) bands (ev): -20.9782 -20.9782 -20.6752 -20.6752 -12.1202 -12.1202 -12.0405 -12.0405 -10.6599 -10.6599 -10.1138 -10.1138 -4.1442 -4.1442 -3.5356 -3.5356 -3.2042 -3.2042 -2.6999 -2.6999 -2.5127 -2.5127 -2.0021 -2.0021 5.8325 5.8325 6.6019 6.6019 6.6656 6.6656 6.8314 6.8314 7.1287 7.1287 7.3100 7.3100 8.0256 8.0256 8.0739 8.0739 8.1008 8.1008 8.5093 8.5093 8.8666 8.8666 9.9888 9.9888 17.4205 17.4205 19.2963 19.2963 19.3387 19.3387 19.8153 19.8153 20.4152 20.4152 k = 0.1879 0.3254-0.0000 ( 2538 PWs) bands (ev): -20.9889 -20.9889 -20.6730 -20.6730 -12.1093 -12.1093 -12.0277 -12.0277 -10.6417 -10.6417 -10.1193 -10.1193 -4.1505 -4.1505 -3.5308 -3.5308 -3.2107 -3.2107 -2.7081 -2.7081 -2.4987 -2.4987 -2.0131 -2.0131 5.8248 5.8248 6.5560 6.5560 6.6695 6.6695 6.8367 6.8367 7.1421 7.1421 7.2776 7.2776 8.0234 8.0234 8.0621 8.0621 8.1011 8.1011 8.4901 8.4901 8.8821 8.8821 9.9952 9.9952 17.4568 17.4568 19.2142 19.2142 19.2966 19.2966 19.8312 19.8312 20.5010 20.5010 k = 0.1818 0.3149-0.0000 ( 2538 PWs) bands (ev): -20.9996 -20.9996 -20.6711 -20.6711 -12.0980 -12.0980 -12.0145 -12.0145 -10.6236 -10.6236 -10.1249 -10.1249 -4.1562 -4.1562 -3.5262 -3.5262 -3.2168 -3.2168 -2.7169 -2.7169 -2.4840 -2.4840 -2.0249 -2.0249 5.8190 5.8190 6.5071 6.5071 6.6635 6.6635 6.8419 6.8419 7.1521 7.1521 7.2547 7.2547 8.0273 8.0273 8.0492 8.0492 8.1011 8.1011 8.4704 8.4704 8.8977 8.8977 10.0017 10.0017 17.4891 17.4891 19.1292 19.1292 19.2545 19.2545 19.8487 19.8487 20.5879 20.5879 k = 0.1758 0.3044-0.0000 ( 2552 PWs) bands (ev): -21.0103 -21.0103 -20.6694 -20.6694 -12.0862 -12.0862 -12.0007 -12.0007 -10.6057 -10.6057 -10.1306 -10.1306 -4.1615 -4.1615 -3.5218 -3.5218 -3.2224 -3.2224 -2.7259 -2.7259 -2.4690 -2.4690 -2.0373 -2.0373 5.8151 5.8151 6.4568 6.4568 6.6459 6.6459 6.8472 6.8472 7.1566 7.1566 7.2439 7.2439 8.0365 8.0365 8.0376 8.0376 8.0991 8.0991 8.4504 8.4504 8.9134 8.9134 10.0082 10.0082 17.5170 17.5170 19.0428 19.0428 19.2114 19.2114 19.8680 19.8680 20.6751 20.6751 k = 0.1697 0.2939-0.0000 ( 2548 PWs) bands (ev): -21.0210 -21.0210 -20.6678 -20.6678 -12.0741 -12.0741 -11.9866 -11.9866 -10.5880 -10.5880 -10.1365 -10.1365 -4.1663 -4.1663 -3.5174 -3.5174 -3.2277 -3.2277 -2.7351 -2.7351 -2.4540 -2.4540 -2.0502 -2.0502 5.8133 5.8133 6.4056 6.4056 6.6170 6.6170 6.8527 6.8527 7.1546 7.1546 7.2452 7.2452 8.0247 8.0247 8.0537 8.0537 8.0954 8.0954 8.4302 8.4302 8.9291 8.9291 10.0148 10.0148 17.5404 17.5404 18.9554 18.9554 19.1674 19.1674 19.8893 19.8893 20.7620 20.7620 k = 0.1636 0.2834-0.0000 ( 2548 PWs) bands (ev): -21.0315 -21.0315 -20.6664 -20.6664 -12.0615 -12.0615 -11.9720 -11.9720 -10.5706 -10.5706 -10.1424 -10.1424 -4.1705 -4.1705 -3.5132 -3.5132 -3.2325 -3.2325 -2.7442 -2.7442 -2.4392 -2.4392 -2.0634 -2.0634 5.8134 5.8134 6.3542 6.3542 6.5781 6.5781 6.8584 6.8584 7.1484 7.1484 7.2546 7.2546 8.0138 8.0138 8.0704 8.0704 8.0951 8.0951 8.4098 8.4098 8.9448 8.9448 10.0213 10.0213 17.5590 17.5590 18.8673 18.8673 19.1227 19.1227 19.9126 19.9126 20.8477 20.8477 k = 0.1576 0.2729-0.0000 ( 2560 PWs) bands (ev): -21.0420 -21.0420 -20.6653 -20.6653 -12.0487 -12.0487 -11.9572 -11.9572 -10.5535 -10.5535 -10.1483 -10.1483 -4.1744 -4.1744 -3.5090 -3.5090 -3.2369 -3.2369 -2.7532 -2.7532 -2.4248 -2.4248 -2.0769 -2.0769 5.8154 5.8154 6.3030 6.3030 6.5311 6.5311 6.8644 6.8644 7.1402 7.1402 7.2682 7.2682 8.0038 8.0038 8.0682 8.0682 8.1170 8.1170 8.3893 8.3893 8.9604 8.9604 10.0279 10.0279 17.5730 17.5730 18.7789 18.7789 19.0773 19.0773 19.9382 19.9382 20.9313 20.9313 k = 0.1515 0.2624-0.0000 ( 2560 PWs) bands (ev): -21.0523 -21.0523 -20.6642 -20.6642 -12.0356 -12.0356 -11.9421 -11.9421 -10.5368 -10.5368 -10.1543 -10.1543 -4.1778 -4.1778 -3.5049 -3.5049 -3.2408 -3.2408 -2.7622 -2.7622 -2.4110 -2.4110 -2.0903 -2.0903 5.8194 5.8194 6.2524 6.2524 6.4783 6.4783 6.8706 6.8706 7.1305 7.1305 7.2838 7.2838 7.9948 7.9948 8.0552 8.0552 8.1529 8.1529 8.3688 8.3688 8.9759 8.9759 10.0344 10.0344 17.5822 17.5822 18.6904 18.6904 19.0314 19.0314 19.9660 19.9660 21.0117 21.0117 k = 0.1455 0.2519-0.0000 ( 2560 PWs) bands (ev): -21.0624 -21.0624 -20.6633 -20.6633 -12.0224 -12.0224 -11.9268 -11.9268 -10.5206 -10.5206 -10.1603 -10.1603 -4.1808 -4.1808 -3.5008 -3.5008 -3.2443 -3.2443 -2.7710 -2.7710 -2.3980 -2.3980 -2.1035 -2.1035 5.8249 5.8249 6.2031 6.2031 6.4212 6.4212 6.8769 6.8769 7.1193 7.1193 7.3005 7.3005 7.9866 7.9866 8.0379 8.0379 8.1954 8.1954 8.3483 8.3483 8.9913 8.9913 10.0409 10.0409 17.5871 17.5871 18.6021 18.6021 18.9854 18.9854 19.9963 19.9963 21.0874 21.0874 k = 0.1394 0.2414-0.0000 ( 2560 PWs) bands (ev): -21.0723 -21.0723 -20.6626 -20.6626 -12.0090 -12.0090 -11.9113 -11.9113 -10.5047 -10.5047 -10.1662 -10.1662 -4.1834 -4.1834 -3.4968 -3.4968 -3.2473 -3.2473 -2.7798 -2.7798 -2.3859 -2.3859 -2.1163 -2.1163 5.8315 5.8315 6.1559 6.1559 6.3615 6.3615 6.8831 6.8831 7.1065 7.1065 7.3177 7.3177 7.9787 7.9787 8.0176 8.0176 8.2430 8.2430 8.3280 8.3280 9.0065 9.0065 10.0472 10.0472 17.5876 17.5876 18.5143 18.5143 18.9393 18.9393 20.0290 20.0290 21.1570 21.1570 k = 0.1333 0.2309-0.0000 ( 2556 PWs) bands (ev): -21.0821 -21.0821 -20.6620 -20.6620 -11.9955 -11.9955 -11.8958 -11.8958 -10.4894 -10.4894 -10.1721 -10.1721 -4.1857 -4.1857 -3.4929 -3.4929 -3.2498 -3.2498 -2.7885 -2.7885 -2.3748 -2.3748 -2.1285 -2.1285 5.8383 5.8383 6.1119 6.1119 6.3001 6.3001 6.8893 6.8893 7.0922 7.0922 7.3352 7.3352 7.9688 7.9688 7.9968 7.9968 8.2945 8.2945 8.3080 8.3080 9.0215 9.0215 10.0535 10.0535 17.5843 17.5843 18.4274 18.4274 18.8933 18.8933 20.0642 20.0642 21.2187 21.2187 k = 0.1273 0.2204-0.0000 ( 2558 PWs) bands (ev): -21.0916 -21.0916 -20.6616 -20.6616 -11.9820 -11.9820 -11.8803 -11.8803 -10.4746 -10.4746 -10.1779 -10.1779 -4.1876 -4.1876 -3.4890 -3.4890 -3.2518 -3.2518 -2.7971 -2.7971 -2.3650 -2.3650 -2.1399 -2.1399 5.8435 5.8435 6.0730 6.0730 6.2379 6.2379 6.8952 6.8952 7.0765 7.0765 7.3527 7.3527 7.9502 7.9502 7.9823 7.9823 8.2879 8.2879 8.3493 8.3493 9.0363 9.0363 10.0596 10.0596 17.5775 17.5775 18.3416 18.3416 18.8476 18.8476 20.1019 20.1019 21.2703 21.2703 k = 0.1212 0.2099-0.0000 ( 2550 PWs) bands (ev): -21.1008 -21.1008 -20.6612 -20.6612 -11.9686 -11.9686 -11.8649 -11.8649 -10.4603 -10.4603 -10.1837 -10.1837 -4.1893 -4.1893 -3.4852 -3.4852 -3.2533 -3.2533 -2.8056 -2.8056 -2.3567 -2.3567 -2.1501 -2.1501 5.8442 5.8442 6.0427 6.0427 6.1758 6.1758 6.9010 6.9010 7.0597 7.0597 7.3702 7.3702 7.9215 7.9215 7.9757 7.9757 8.2683 8.2683 8.4063 8.4063 9.0507 9.0507 10.0656 10.0656 17.5675 17.5675 18.2573 18.2573 18.8023 18.8023 20.1421 20.1421 21.3100 21.3100 k = 0.1152 0.1994-0.0000 ( 2554 PWs) bands (ev): -21.1097 -21.1097 -20.6610 -20.6610 -11.9553 -11.9553 -11.8496 -11.8496 -10.4466 -10.4466 -10.1893 -10.1893 -4.1907 -4.1907 -3.4815 -3.4815 -3.2543 -3.2543 -2.8141 -2.8141 -2.3500 -2.3500 -2.1590 -2.1590 5.8363 5.8363 6.0248 6.0248 6.1142 6.1142 6.9064 6.9064 7.0421 7.0421 7.3875 7.3875 7.8870 7.8870 7.9725 7.9725 8.2490 8.2490 8.4646 8.4646 9.0649 9.0649 10.0715 10.0715 17.5548 17.5548 18.1747 18.1747 18.7577 18.7577 20.1846 20.1846 21.3360 21.3360 k = 0.1091 0.1890-0.0000 ( 2561 PWs) bands (ev): -21.1184 -21.1184 -20.6609 -20.6609 -11.9423 -11.9423 -11.8345 -11.8345 -10.4336 -10.4336 -10.1948 -10.1948 -4.1918 -4.1918 -3.4779 -3.4779 -3.2549 -3.2549 -2.8226 -2.8226 -2.3452 -2.3452 -2.1663 -2.1663 5.8178 5.8178 6.0209 6.0209 6.0546 6.0546 6.9115 6.9115 7.0240 7.0240 7.4046 7.4046 7.8487 7.8487 7.9711 7.9711 8.2302 8.2302 8.5237 8.5237 9.0787 9.0787 10.0771 10.0771 17.5398 17.5398 18.0942 18.0942 18.7139 18.7139 20.2295 20.2295 21.3471 21.3471 k = 0.1030 0.1785-0.0000 ( 2553 PWs) bands (ev): -21.1267 -21.1267 -20.6608 -20.6608 -11.9294 -11.9294 -11.8197 -11.8197 -10.4211 -10.4211 -10.2001 -10.2001 -4.1928 -4.1928 -3.4743 -3.4743 -3.2550 -3.2550 -2.8309 -2.8309 -2.3423 -2.3423 -2.1718 -2.1718 5.7907 5.7907 5.9922 5.9922 6.0341 6.0341 6.9161 6.9161 7.0056 7.0056 7.4214 7.4214 7.8071 7.8071 7.9710 7.9710 8.2118 8.2118 8.5830 8.5830 9.0921 9.0921 10.0826 10.0826 17.5231 17.5231 18.0160 18.0160 18.6710 18.6710 20.2765 20.2765 21.3430 21.3430 k = 0.0970 0.1680-0.0000 ( 2549 PWs) bands (ev): -21.1346 -21.1346 -20.6608 -20.6608 -11.9169 -11.9169 -11.8053 -11.8053 -10.4093 -10.4093 -10.2052 -10.2052 -4.1935 -4.1935 -3.4709 -3.4709 -3.2547 -3.2547 -2.8392 -2.8392 -2.3413 -2.3413 -2.1755 -2.1755 5.7590 5.7590 5.9355 5.9355 6.0527 6.0527 6.9203 6.9203 6.9873 6.9873 7.4379 7.4379 7.7625 7.7625 7.9719 7.9719 8.1938 8.1938 8.6417 8.6417 9.1051 9.1051 10.0879 10.0879 17.5049 17.5049 17.9404 17.9404 18.6293 18.6293 20.3257 20.3257 21.3246 21.3246 k = 0.0909 0.1575-0.0000 ( 2551 PWs) bands (ev): -21.1422 -21.1422 -20.6609 -20.6609 -11.9047 -11.9047 -11.7913 -11.7913 -10.3981 -10.3981 -10.2102 -10.2102 -4.1941 -4.1941 -3.4676 -3.4676 -3.2541 -3.2541 -2.8472 -2.8472 -2.3422 -2.3422 -2.1774 -2.1774 5.7253 5.7253 5.8801 5.8801 6.0784 6.0784 6.9240 6.9240 6.9694 6.9694 7.4538 7.4538 7.7153 7.7153 7.9736 7.9736 8.1764 8.1764 8.6993 8.6993 9.1177 9.1177 10.0929 10.0929 17.4857 17.4857 17.8678 17.8678 18.5889 18.5889 20.3767 20.3767 21.2941 21.2941 k = 0.0848 0.1470-0.0000 ( 2551 PWs) bands (ev): -21.1494 -21.1494 -20.6610 -20.6610 -11.8930 -11.8930 -11.7779 -11.7779 -10.3876 -10.3876 -10.2149 -10.2149 -4.1945 -4.1945 -3.4644 -3.4644 -3.2533 -3.2533 -2.8551 -2.8551 -2.3447 -2.3447 -2.1779 -2.1779 5.6915 5.6915 5.8270 5.8270 6.1090 6.1090 6.9266 6.9266 6.9524 6.9524 7.4689 7.4689 7.6659 7.6659 7.9761 7.9761 8.1596 8.1596 8.7553 8.7553 9.1298 9.1298 10.0977 10.0977 17.4660 17.4660 17.7984 17.7984 18.5499 18.5499 20.4293 20.4293 21.2546 21.2546 k = 0.0788 0.1365-0.0000 ( 2561 PWs) bands (ev): -21.1562 -21.1562 -20.6612 -20.6612 -11.8819 -11.8819 -11.7650 -11.7650 -10.3778 -10.3778 -10.2194 -10.2194 -4.1948 -4.1948 -3.4613 -3.4613 -3.2522 -3.2522 -2.8627 -2.8627 -2.3484 -2.3484 -2.1771 -2.1771 5.6586 5.6586 5.7765 5.7765 6.1435 6.1435 6.9253 6.9253 6.9395 6.9395 7.4830 7.4830 7.6147 7.6147 7.9791 7.9791 8.1435 8.1435 8.8092 8.8092 9.1416 9.1416 10.1022 10.1022 17.4460 17.4460 17.7325 17.7325 18.5126 18.5126 20.4834 20.4834 21.2094 21.2094 k = 0.0727 0.1260-0.0000 ( 2555 PWs) bands (ev): -21.1625 -21.1625 -20.6614 -20.6614 -11.8712 -11.8712 -11.7528 -11.7528 -10.3687 -10.3687 -10.2236 -10.2236 -4.1950 -4.1950 -3.4583 -3.4583 -3.2509 -3.2509 -2.8700 -2.8700 -2.3530 -2.3530 -2.1753 -2.1753 5.6270 5.6270 5.7289 5.7289 6.1814 6.1814 6.9139 6.9139 6.9371 6.9371 7.4937 7.4937 7.5642 7.5642 7.9825 7.9825 8.1281 8.1281 8.8605 8.8605 9.1529 9.1529 10.1064 10.1064 17.4261 17.4261 17.6704 17.6704 18.4772 18.4772 20.5387 20.5387 21.1614 21.1614 k = 0.0667 0.1155-0.0000 ( 2561 PWs) bands (ev): -21.1684 -21.1684 -20.6616 -20.6616 -11.8612 -11.8612 -11.7413 -11.7413 -10.3603 -10.3603 -10.2276 -10.2276 -4.1951 -4.1951 -3.4555 -3.4555 -3.2496 -3.2496 -2.8769 -2.8769 -2.3582 -2.3582 -2.1730 -2.1730 5.5972 5.5972 5.6844 5.6844 6.2223 6.2223 6.8992 6.8992 6.9385 6.9385 7.4844 7.4844 7.5314 7.5314 7.9862 7.9862 8.1136 8.1136 8.9087 8.9087 9.1639 9.1639 10.1104 10.1104 17.4067 17.4067 17.6122 17.6122 18.4437 18.4437 20.5947 20.5947 21.1129 21.1129 k = 0.0606 0.1050-0.0000 ( 2565 PWs) bands (ev): -21.1739 -21.1739 -20.6619 -20.6619 -11.8519 -11.8519 -11.7306 -11.7306 -10.3526 -10.3526 -10.2313 -10.2313 -4.1952 -4.1952 -3.4529 -3.4529 -3.2482 -3.2482 -2.8834 -2.8834 -2.3636 -2.3636 -2.1703 -2.1703 5.5693 5.5693 5.6432 5.6432 6.2659 6.2659 6.8848 6.8848 6.9402 6.9402 7.4367 7.4367 7.5344 7.5344 7.9900 7.9900 8.1000 8.1000 8.9535 8.9535 9.1746 9.1746 10.1140 10.1140 17.3879 17.3879 17.5583 17.5583 18.4124 18.4124 20.6512 20.6512 21.0655 21.0655 k = 0.0545 0.0945-0.0000 ( 2567 PWs) bands (ev): -21.1789 -21.1789 -20.6621 -20.6621 -11.8433 -11.8433 -11.7207 -11.7207 -10.3456 -10.3456 -10.2347 -10.2347 -4.1952 -4.1952 -3.4504 -3.4504 -3.2469 -3.2469 -2.8893 -2.8893 -2.3690 -2.3690 -2.1674 -2.1674 5.5436 5.5436 5.6055 5.6055 6.3120 6.3120 6.8713 6.8713 6.9418 6.9419 7.3797 7.3797 7.5448 7.5448 7.9937 7.9937 8.0873 8.0873 8.9943 8.9943 9.1851 9.1851 10.1174 10.1174 17.3701 17.3701 17.5090 17.5090 18.3834 18.3834 20.7075 20.7075 21.0205 21.0205 k = 0.0485 0.0840-0.0000 ( 2571 PWs) bands (ev): -21.1833 -21.1833 -20.6623 -20.6623 -11.8354 -11.8354 -11.7117 -11.7117 -10.3394 -10.3394 -10.2377 -10.2377 -4.1952 -4.1952 -3.4481 -3.4481 -3.2456 -3.2456 -2.8948 -2.8948 -2.3742 -2.3742 -2.1646 -2.1646 5.5201 5.5201 5.5716 5.5716 6.3603 6.3603 6.8590 6.8590 6.9433 6.9433 7.3201 7.3201 7.5556 7.5556 7.9972 7.9972 8.0759 8.0759 9.0306 9.0306 9.1956 9.1956 10.1204 10.1204 17.3534 17.3534 17.4643 17.4643 18.3570 18.3570 20.7632 20.7632 20.9787 20.9787 k = 0.0424 0.0735-0.0000 ( 2567 PWs) bands (ev): -21.1873 -21.1873 -20.6626 -20.6626 -11.8284 -11.8284 -11.7036 -11.7036 -10.3338 -10.3338 -10.2404 -10.2404 -4.1951 -4.1951 -3.4459 -3.4459 -3.2444 -3.2444 -2.8996 -2.8996 -2.3791 -2.3791 -2.1619 -2.1619 5.4988 5.4988 5.5417 5.5417 6.4108 6.4108 6.8479 6.8479 6.9445 6.9445 7.2593 7.2593 7.5658 7.5658 8.0002 8.0002 8.0658 8.0658 9.0622 9.0622 9.2061 9.2061 10.1231 10.1231 17.3381 17.3381 17.4247 17.4247 18.3332 18.3332 20.8175 20.8175 20.9409 20.9409 k = 0.0364 0.0630-0.0000 ( 2569 PWs) bands (ev): -21.1908 -21.1908 -20.6628 -20.6628 -11.8222 -11.8222 -11.6965 -11.6965 -10.3290 -10.3290 -10.2428 -10.2428 -4.1951 -4.1951 -3.4440 -3.4440 -3.2434 -3.2434 -2.9039 -2.9039 -2.3835 -2.3835 -2.1594 -2.1594 5.4798 5.4798 5.5159 5.5159 6.4631 6.4631 6.8382 6.8382 6.9454 6.9454 7.1976 7.1976 7.5752 7.5752 8.0026 8.0026 8.0572 8.0572 9.0885 9.0885 9.2167 9.2167 10.1254 10.1254 17.3241 17.3241 17.3902 17.3902 18.3122 18.3122 20.8696 20.8696 20.9074 20.9074 k = 0.0303 0.0525-0.0000 ( 2571 PWs) bands (ev): -21.1937 -21.1937 -20.6630 -20.6630 -11.8170 -11.8170 -11.6904 -11.6904 -10.3250 -10.3250 -10.2448 -10.2448 -4.1950 -4.1950 -3.4424 -3.4424 -3.2426 -3.2426 -2.9075 -2.9075 -2.3874 -2.3874 -2.1572 -2.1572 5.4631 5.4631 5.4945 5.4945 6.5170 6.5170 6.8298 6.8298 6.9462 6.9462 7.1355 7.1355 7.5834 7.5834 8.0041 8.0041 8.0504 8.0504 9.1097 9.1097 9.2273 9.2273 10.1274 10.1274 17.3116 17.3116 17.3613 17.3613 18.2943 18.2943 20.8786 20.8786 20.9182 20.9182 k = 0.0242 0.0420-0.0000 ( 2559 PWs) bands (ev): -21.1961 -21.1961 -20.6631 -20.6631 -11.8126 -11.8126 -11.6854 -11.6854 -10.3216 -10.3216 -10.2465 -10.2465 -4.1949 -4.1949 -3.4410 -3.4410 -3.2418 -3.2418 -2.9105 -2.9105 -2.3907 -2.3907 -2.1553 -2.1553 5.4487 5.4487 5.4774 5.4774 6.5723 6.5723 6.8231 6.8231 6.9469 6.9469 7.0734 7.0734 7.5904 7.5904 8.0046 8.0046 8.0455 8.0455 9.1259 9.1259 9.2373 9.2373 10.1291 10.1291 17.3004 17.3004 17.3382 17.3382 18.2794 18.2794 20.8548 20.8548 20.9620 20.9620 k = 0.0182 0.0315-0.0000 ( 2543 PWs) bands (ev): -21.1980 -21.1980 -20.6632 -20.6632 -11.8092 -11.8092 -11.6814 -11.6814 -10.3190 -10.3190 -10.2478 -10.2478 -4.1949 -4.1949 -3.4398 -3.4398 -3.2413 -3.2413 -2.9128 -2.9128 -2.3933 -2.3933 -2.1538 -2.1538 5.4371 5.4371 5.4645 5.4645 6.6282 6.6282 6.8179 6.8179 6.9474 6.9474 7.0119 7.0119 7.5960 7.5960 8.0043 8.0043 8.0423 8.0423 9.1377 9.1377 9.2462 9.2462 10.1304 10.1304 17.2906 17.2906 17.3212 17.3212 18.2677 18.2677 20.8361 20.8361 20.9993 20.9993 k = 0.0121 0.0210-0.0000 ( 2539 PWs) bands (ev): -21.1994 -21.1994 -20.6633 -20.6633 -11.8067 -11.8067 -11.6786 -11.6786 -10.3172 -10.3172 -10.2487 -10.2487 -4.1948 -4.1948 -3.4390 -3.4390 -3.2409 -3.2409 -2.9145 -2.9145 -2.3952 -2.3952 -2.1527 -2.1527 5.4285 5.4285 5.4555 5.4555 6.6836 6.6836 6.8148 6.8148 6.9475 6.9475 6.9522 6.9522 7.6001 7.6001 8.0036 8.0036 8.0405 8.0405 9.1455 9.1455 9.2531 9.2531 10.1313 10.1313 17.2825 17.2825 17.3100 17.3100 18.2593 18.2593 20.8227 20.8227 21.0281 21.0281 k = 0.0061 0.0105-0.0000 ( 2535 PWs) bands (ev): -21.2002 -21.2002 -20.6634 -20.6634 -11.8052 -11.8052 -11.6769 -11.6769 -10.3161 -10.3161 -10.2493 -10.2493 -4.1948 -4.1948 -3.4386 -3.4386 -3.2407 -3.2407 -2.9155 -2.9155 -2.3963 -2.3963 -2.1521 -2.1521 5.4231 5.4231 5.4502 5.4502 6.7339 6.7339 6.8152 6.8152 6.8967 6.8967 6.9479 6.9479 7.6025 7.6025 8.0030 8.0030 8.0397 8.0397 9.1501 9.1501 9.2576 9.2576 10.1319 10.1319 17.2770 17.2770 17.3038 17.3038 18.2542 18.2542 20.8146 20.8146 21.0463 21.0463 k = 0.0000 0.0000 0.0000 ( 2523 PWs) bands (ev): -21.2004 -21.2004 -20.6634 -20.6634 -11.8047 -11.8047 -11.6763 -11.6763 -10.3157 -10.3157 -10.2494 -10.2494 -4.1947 -4.1947 -3.4384 -3.4384 -3.2406 -3.2406 -2.9158 -2.9158 -2.3967 -2.3967 -2.1518 -2.1518 5.4213 5.4213 5.4485 5.4485 6.7592 6.7592 6.8202 6.8202 6.8650 6.8650 6.9480 6.9480 7.6034 7.6034 8.0027 8.0027 8.0394 8.0394 9.1515 9.1515 9.2591 9.2591 10.1321 10.1321 17.2751 17.2751 17.3018 17.3018 18.2525 18.2525 20.8119 20.8119 21.0526 21.0526 k = 0.0000 0.0000 0.0000 ( 2523 PWs) bands (ev): -21.2004 -21.2004 -20.6634 -20.6634 -11.8047 -11.8047 -11.6763 -11.6763 -10.3157 -10.3157 -10.2494 -10.2494 -4.1947 -4.1947 -3.4384 -3.4384 -3.2406 -3.2406 -2.9158 -2.9158 -2.3967 -2.3967 -2.1518 -2.1518 5.4213 5.4213 5.4485 5.4485 6.7592 6.7592 6.8202 6.8202 6.8650 6.8650 6.9480 6.9480 7.6034 7.6034 8.0027 8.0027 8.0394 8.0394 9.1515 9.1515 9.2591 9.2591 10.1321 10.1321 17.2751 17.2751 17.3018 17.3018 18.2525 18.2525 20.8119 20.8119 21.0526 21.0526 k = 0.0000 0.0000 0.0120 ( 2535 PWs) bands (ev): -21.2001 -21.2001 -20.6637 -20.6637 -11.8050 -11.8050 -11.6767 -11.6767 -10.3156 -10.3156 -10.2492 -10.2492 -4.1939 -4.1939 -3.4386 -3.4386 -3.2399 -3.2399 -2.9155 -2.9155 -2.3970 -2.3970 -2.1518 -2.1518 5.4216 5.4216 5.4487 5.4487 6.7570 6.7570 6.8216 6.8216 6.8625 6.8625 6.9459 6.9459 7.6014 7.6014 8.0047 8.0047 8.0416 8.0416 9.1513 9.1513 9.2589 9.2589 10.1298 10.1298 17.2777 17.2777 17.3045 17.3045 18.2578 18.2578 20.8136 20.8136 21.0546 21.0546 k = 0.0000 0.0000 0.0240 ( 2541 PWs) bands (ev): -21.1992 -21.1992 -20.6646 -20.6646 -11.8060 -11.8060 -11.6777 -11.6777 -10.3151 -10.3151 -10.2485 -10.2485 -4.1914 -4.1914 -3.4391 -3.4391 -3.2376 -3.2376 -2.9146 -2.9146 -2.3978 -2.3978 -2.1518 -2.1518 5.4224 5.4224 5.4496 5.4496 6.7507 6.7507 6.8256 6.8256 6.8554 6.8554 6.9395 6.9395 7.5956 7.5956 8.0105 8.0105 8.0481 8.0481 9.1505 9.1505 9.2580 9.2580 10.1230 10.1230 17.2856 17.2856 17.3125 17.3125 18.2736 18.2736 20.8188 20.8188 21.0606 21.0606 k = 0.0000 0.0000 0.0359 ( 2577 PWs) bands (ev): -21.1978 -21.1978 -20.6662 -20.6662 -11.8076 -11.8076 -11.6795 -11.6795 -10.3144 -10.3144 -10.2474 -10.2474 -4.1872 -4.1872 -3.4400 -3.4400 -3.2339 -3.2339 -2.9131 -2.9131 -2.3993 -2.3993 -2.1518 -2.1518 5.4237 5.4237 5.4509 5.4509 6.7403 6.7403 6.8323 6.8323 6.8438 6.8438 6.9290 6.9290 7.5861 7.5861 8.0201 8.0201 8.0588 8.0588 9.1491 9.1491 9.2566 9.2566 10.1116 10.1116 17.2987 17.2987 17.3257 17.3257 18.2998 18.2998 20.8273 20.8273 21.0706 21.0706 k = 0.0000 0.0000 0.0479 ( 2565 PWs) bands (ev): -21.1957 -21.1957 -20.6683 -20.6683 -11.8097 -11.8097 -11.6818 -11.6818 -10.3134 -10.3134 -10.2458 -10.2458 -4.1812 -4.1812 -3.4411 -3.4411 -3.2286 -3.2286 -2.9109 -2.9109 -2.4012 -2.4012 -2.1518 -2.1518 5.4256 5.4256 5.4528 5.4528 6.7262 6.7262 6.8280 6.8280 6.8416 6.8416 6.9147 6.9147 7.5730 7.5730 8.0332 8.0332 8.0733 8.0733 9.1472 9.1472 9.2547 9.2547 10.0959 10.0959 17.3171 17.3171 17.3443 17.3443 18.3364 18.3364 20.8393 20.8393 21.0844 21.0844 k = 0.0000 0.0000 0.0599 ( 2565 PWs) bands (ev): -21.1930 -21.1930 -20.6710 -20.6710 -11.8124 -11.8124 -11.6848 -11.6848 -10.3121 -10.3121 -10.2438 -10.2438 -4.1738 -4.1738 -3.4426 -3.4426 -3.2219 -3.2219 -2.9083 -2.9083 -2.4038 -2.4038 -2.1518 -2.1518 5.4280 5.4280 5.4553 5.4553 6.7085 6.7085 6.8083 6.8083 6.8535 6.8535 6.8966 6.8966 7.5565 7.5565 8.0495 8.0495 8.0914 8.0914 9.1448 9.1448 9.2523 9.2523 10.0758 10.0758 17.3406 17.3406 17.3682 17.3682 18.3829 18.3829 20.8546 20.8546 21.1019 21.1019 k = 0.0000 0.0000 0.0719 ( 2553 PWs) bands (ev): -21.1897 -21.1897 -20.6743 -20.6743 -11.8156 -11.8156 -11.6884 -11.6884 -10.3105 -10.3105 -10.2414 -10.2414 -4.1647 -4.1647 -3.4445 -3.4445 -3.2136 -3.2136 -2.9050 -2.9050 -2.4068 -2.4068 -2.1519 -2.1519 5.4310 5.4310 5.4584 5.4584 6.6875 6.6875 6.7851 6.7851 6.8677 6.8677 6.8750 6.8750 7.5370 7.5370 8.0687 8.0687 8.1126 8.1126 9.1418 9.1418 9.2493 9.2493 10.0515 10.0515 17.3694 17.3694 17.3973 17.3973 18.4393 18.4393 20.8731 20.8731 21.1229 21.1229 k = 0.0000 0.0000 0.0838 ( 2571 PWs) bands (ev): -21.1859 -21.1859 -20.6782 -20.6782 -11.8193 -11.8193 -11.6927 -11.6927 -10.3086 -10.3086 -10.2388 -10.2388 -4.1542 -4.1542 -3.4468 -3.4468 -3.2038 -3.2038 -2.9012 -2.9012 -2.4105 -2.4105 -2.1522 -2.1522 5.4345 5.4345 5.4620 5.4620 6.6637 6.6637 6.7588 6.7588 6.8502 6.8502 6.8839 6.8839 7.5148 7.5148 8.0904 8.0904 8.1365 8.1365 9.1382 9.1382 9.2456 9.2456 10.0229 10.0229 17.4032 17.4032 17.4315 17.4315 18.5052 18.5052 20.8946 20.8946 21.1471 21.1471 k = 0.0000 0.0000 0.0958 ( 2565 PWs) bands (ev): -21.1814 -21.1814 -20.6826 -20.6826 -11.8234 -11.8234 -11.6974 -11.6974 -10.3065 -10.3065 -10.2358 -10.2358 -4.1422 -4.1422 -3.4495 -3.4495 -3.1925 -3.1925 -2.8968 -2.8968 -2.4146 -2.4146 -2.1527 -2.1527 5.4387 5.4387 5.4663 5.4663 6.6373 6.6373 6.7299 6.7299 6.8226 6.8226 6.9019 6.9019 7.4904 7.4904 8.1144 8.1144 8.1628 8.1628 9.1341 9.1341 9.2415 9.2415 9.9903 9.9903 17.4421 17.4421 17.4708 17.4708 18.5802 18.5802 20.9191 20.9191 21.1744 21.1744 k = 0.0000 0.0000 0.1078 ( 2565 PWs) bands (ev): -21.1764 -21.1764 -20.6877 -20.6877 -11.8278 -11.8278 -11.7028 -11.7028 -10.3041 -10.3041 -10.2327 -10.2327 -4.1290 -4.1290 -3.4525 -3.4525 -3.1796 -3.1796 -2.8918 -2.8918 -2.4193 -2.4193 -2.1535 -2.1535 5.4435 5.4435 5.4712 5.4712 6.6088 6.6088 6.6987 6.6987 6.7925 6.7925 6.9210 6.9210 7.4645 7.4645 8.1403 8.1403 8.1909 8.1909 9.1295 9.1295 9.2367 9.2367 9.9538 9.9538 17.4859 17.4859 17.5152 17.5152 18.6639 18.6639 20.9463 20.9463 21.2043 21.2043 k = 0.0000 0.0000 0.1198 ( 2565 PWs) bands (ev): -21.1709 -21.1709 -20.6933 -20.6933 -11.8324 -11.8324 -11.7086 -11.7086 -10.3014 -10.3014 -10.2294 -10.2294 -4.1145 -4.1145 -3.4560 -3.4560 -3.1651 -3.1651 -2.8863 -2.8863 -2.4245 -2.4245 -2.1548 -2.1548 5.4489 5.4489 5.4768 5.4768 6.5784 6.5784 6.6657 6.6657 6.7604 6.7604 6.9406 6.9406 7.4381 7.4381 8.1676 8.1676 8.2207 8.2207 9.1243 9.1243 9.2314 9.2314 9.9135 9.9135 17.5347 17.5347 17.5646 17.5646 18.7559 18.7559 20.9762 20.9762 21.2367 21.2367 k = 0.0000 0.0000 0.1317 ( 2565 PWs) bands (ev): -21.1648 -21.1648 -20.6994 -20.6994 -11.8373 -11.8373 -11.7149 -11.7149 -10.2985 -10.2985 -10.2259 -10.2259 -4.0988 -4.0988 -3.4600 -3.4600 -3.1491 -3.1491 -2.8803 -2.8803 -2.4302 -2.4302 -2.1566 -2.1566 5.4550 5.4550 5.4831 5.4831 6.5464 6.5464 6.6310 6.6310 6.7266 6.7266 6.9594 6.9594 7.4125 7.4125 8.1963 8.1963 8.2517 8.2517 9.1184 9.1184 9.2255 9.2255 9.8697 9.8697 17.5883 17.5883 17.6188 17.6188 18.8557 18.8557 21.0084 21.0084 21.2711 21.2711 k = 0.0000 0.0000 0.1437 ( 2565 PWs) bands (ev): -21.1582 -21.1582 -20.7061 -20.7061 -11.8423 -11.8423 -11.7217 -11.7217 -10.2954 -10.2954 -10.2225 -10.2225 -4.0822 -4.0822 -3.4644 -3.4644 -3.1315 -3.1315 -2.8737 -2.8737 -2.4365 -2.4365 -2.1589 -2.1589 5.4618 5.4618 5.4901 5.4901 6.5132 6.5132 6.5951 6.5951 6.6917 6.6917 6.9758 6.9758 7.3898 7.3898 8.2260 8.2260 8.2838 8.2838 9.1120 9.1120 9.2190 9.2190 9.8224 9.8224 17.6467 17.6467 17.6779 17.6779 18.9629 18.9629 21.0428 21.0428 21.3070 21.3070 k = 0.0000 0.0000 0.1557 ( 2565 PWs) bands (ev): -21.1511 -21.1511 -20.7132 -20.7132 -11.8474 -11.8474 -11.7288 -11.7288 -10.2920 -10.2920 -10.2191 -10.2191 -4.0646 -4.0646 -3.4692 -3.4692 -3.1123 -3.1123 -2.8667 -2.8667 -2.4432 -2.4432 -2.1620 -2.1620 5.4693 5.4693 5.4978 5.4978 6.4789 6.4789 6.5582 6.5582 6.6560 6.6560 6.9875 6.9875 7.3724 7.3724 8.2564 8.2564 8.3165 8.3165 9.1050 9.1050 9.2118 9.2118 9.7719 9.7719 17.7097 17.7097 17.7416 17.7416 19.0770 19.0770 21.0792 21.0792 21.3442 21.3442 k = 0.0000 0.0000 0.1677 ( 2565 PWs) bands (ev): -21.1435 -21.1435 -20.7209 -20.7209 -11.8524 -11.8524 -11.7363 -11.7363 -10.2885 -10.2885 -10.2157 -10.2157 -4.0463 -4.0463 -3.4746 -3.4746 -3.0916 -3.0916 -2.8591 -2.8591 -2.4504 -2.4504 -2.1659 -2.1659 5.4775 5.4775 5.5063 5.5063 6.4438 6.4438 6.5206 6.5206 6.6201 6.6201 6.9915 6.9915 7.3634 7.3634 8.2874 8.2874 8.3497 8.3497 9.0973 9.0973 9.2041 9.2041 9.7183 9.7183 17.7772 17.7772 17.8099 17.8099 19.1974 19.1974 21.1174 21.1174 21.3821 21.3821 k = 0.0000 0.0000 0.1796 ( 2553 PWs) bands (ev): -21.1354 -21.1354 -20.7291 -20.7291 -11.8574 -11.8574 -11.7441 -11.7441 -10.2847 -10.2847 -10.2125 -10.2125 -4.0273 -4.0273 -3.4804 -3.4804 -3.0693 -3.0693 -2.8511 -2.8511 -2.4580 -2.4580 -2.1707 -2.1707 5.4866 5.4866 5.5157 5.5157 6.4081 6.4081 6.4824 6.4824 6.5844 6.5844 6.9858 6.9858 7.3653 7.3653 8.3187 8.3187 8.3832 8.3832 9.0890 9.0890 9.1956 9.1956 9.6619 9.6619 17.8492 17.8492 17.8827 17.8827 19.3238 19.3238 21.1569 21.1569 21.4198 21.4198 k = 0.0000 0.0000 0.1916 ( 2553 PWs) bands (ev): -21.1268 -21.1268 -20.7377 -20.7377 -11.8622 -11.8622 -11.7521 -11.7521 -10.2808 -10.2808 -10.2094 -10.2094 -4.0077 -4.0077 -3.4868 -3.4868 -3.0455 -3.0455 -2.8426 -2.8426 -2.4661 -2.4661 -2.1766 -2.1766 5.4964 5.4964 5.5258 5.5258 6.3720 6.3720 6.4438 6.4438 6.5492 6.5492 6.9696 6.9696 7.3789 7.3789 8.3502 8.3502 8.4169 8.4169 9.0801 9.0801 9.1866 9.1866 9.6028 9.6028 17.9255 17.9255 17.9598 17.9598 19.4555 19.4555 21.1977 21.1977 21.4537 21.4537 k = 0.0000 0.0000 0.2036 ( 2553 PWs) bands (ev): -21.1178 -21.1178 -20.7467 -20.7467 -11.8667 -11.8667 -11.7603 -11.7603 -10.2767 -10.2767 -10.2065 -10.2065 -3.9878 -3.9878 -3.4937 -3.4937 -3.0203 -3.0203 -2.8337 -2.8337 -2.4746 -2.4746 -2.1837 -2.1837 5.5070 5.5070 5.5368 5.5368 6.3356 6.3356 6.4051 6.4051 6.5152 6.5152 6.9441 6.9441 7.4034 7.4034 8.3818 8.3818 8.4505 8.4505 9.0704 9.0704 9.1768 9.1768 9.5413 9.5413 18.0060 18.0060 18.0411 18.0411 19.5922 19.5922 21.2394 21.2394 21.4374 21.4374 k = 0.0000 0.0000 0.2156 ( 2553 PWs) bands (ev): -21.1084 -21.1084 -20.7562 -20.7562 -11.8711 -11.8711 -11.7686 -11.7686 -10.2724 -10.2724 -10.2040 -10.2040 -3.9675 -3.9675 -3.5012 -3.5012 -2.9937 -2.9937 -2.8244 -2.8244 -2.4836 -2.4836 -2.1920 -2.1920 5.5185 5.5185 5.5487 5.5487 6.2992 6.2992 6.3664 6.3664 6.4825 6.4825 6.9114 6.9114 7.4369 7.4369 8.4133 8.4133 8.4839 8.4839 9.0600 9.0600 9.1663 9.1663 9.4775 9.4775 18.0906 18.0906 18.1265 18.1265 19.7332 19.7332 21.2818 21.2818 21.3680 21.3680 k = 0.0000 0.0000 0.2275 ( 2553 PWs) bands (ev): -21.0986 -21.0986 -20.7661 -20.7661 -11.8750 -11.8750 -11.7771 -11.7771 -10.2681 -10.2681 -10.2017 -10.2017 -3.9470 -3.9470 -3.5092 -3.5092 -2.9657 -2.9657 -2.8147 -2.8147 -2.4929 -2.4929 -2.2017 -2.2017 5.5309 5.5309 5.5616 5.5616 6.2628 6.2628 6.3278 6.3278 6.4517 6.4517 6.8738 6.8738 7.4773 7.4773 8.4446 8.4446 8.5171 8.5171 9.0488 9.0488 9.1552 9.1552 9.4118 9.4118 18.1790 18.1790 18.2159 18.2159 19.8782 19.8782 21.2882 21.2882 21.3053 21.3053 k = 0.0000 0.0000 0.2395 ( 2547 PWs) bands (ev): -21.0884 -21.0884 -20.7763 -20.7763 -11.8786 -11.8786 -11.7855 -11.7855 -10.2636 -10.2636 -10.1997 -10.1997 -3.9263 -3.9263 -3.5177 -3.5177 -2.9364 -2.9364 -2.8046 -2.8046 -2.5026 -2.5026 -2.2128 -2.2128 5.5442 5.5442 5.5754 5.5754 6.2266 6.2266 6.2894 6.2894 6.4232 6.4232 6.8330 6.8330 7.5234 7.5234 8.4756 8.4756 8.5500 8.5500 9.0367 9.0367 9.1433 9.1433 9.3444 9.3444 18.2712 18.2712 18.3089 18.3089 20.0267 20.0267 21.2014 21.2014 21.2230 21.2230 k = 0.0000 0.0000 0.2515 ( 2547 PWs) bands (ev): -21.0778 -21.0778 -20.7870 -20.7870 -11.8817 -11.8817 -11.7940 -11.7940 -10.2591 -10.2591 -10.1981 -10.1981 -3.9057 -3.9057 -3.5268 -3.5268 -2.9060 -2.9060 -2.7942 -2.7942 -2.5127 -2.5127 -2.2255 -2.2255 5.5585 5.5585 5.5901 5.5901 6.1906 6.1906 6.2514 6.2514 6.3971 6.3971 6.7902 6.7902 7.5739 7.5739 8.5063 8.5063 8.5823 8.5823 9.0237 9.0237 9.1306 9.1306 9.2756 9.2756 18.3670 18.3670 18.4056 18.4056 20.1782 20.1782 21.1084 21.1084 21.1343 21.1343 k = 0.0000 0.0000 0.2635 ( 2547 PWs) bands (ev): -21.0670 -21.0670 -20.7979 -20.7979 -11.8844 -11.8844 -11.8023 -11.8023 -10.2546 -10.2546 -10.1969 -10.1969 -3.8852 -3.8852 -3.5365 -3.5365 -2.8745 -2.8745 -2.7835 -2.7835 -2.5230 -2.5230 -2.2397 -2.2397 5.5737 5.5737 5.6059 5.6059 6.1550 6.1550 6.2138 6.2138 6.3740 6.3740 6.7465 6.7465 7.6282 7.6282 8.5365 8.5365 8.6142 8.6142 9.0094 9.0094 9.1173 9.1173 9.2058 9.2058 18.4662 18.4662 18.5057 18.5057 20.3322 20.3322 21.0098 21.0098 21.0397 21.0397 k = 0.0000 0.0000 0.2755 ( 2559 PWs) bands (ev): -21.0558 -21.0558 -20.8092 -20.8092 -11.8866 -11.8866 -11.8106 -11.8106 -10.2500 -10.2500 -10.1960 -10.1960 -3.8648 -3.8648 -3.5468 -3.5468 -2.8421 -2.8421 -2.7725 -2.7725 -2.5337 -2.5337 -2.2557 -2.2557 5.5898 5.5898 5.6226 5.6226 6.1198 6.1198 6.1767 6.1767 6.3539 6.3539 6.7025 6.7025 7.6856 7.6856 8.5661 8.5661 8.6454 8.6454 8.9933 8.9933 9.1031 9.1031 9.1357 9.1357 18.5686 18.5686 18.6090 18.6090 20.4885 20.4885 20.9064 20.9064 20.9396 20.9396 k = 0.0000 0.0000 0.2874 ( 2559 PWs) bands (ev): -21.0443 -21.0443 -20.8207 -20.8207 -11.8882 -11.8882 -11.8186 -11.8186 -10.2454 -10.2454 -10.1956 -10.1956 -3.8446 -3.8446 -3.5576 -3.5576 -2.8090 -2.8090 -2.7612 -2.7612 -2.5447 -2.5447 -2.2733 -2.2733 5.6070 5.6070 5.6405 5.6405 6.0852 6.0852 6.1402 6.1402 6.3372 6.3372 6.6591 6.6591 7.7458 7.7458 8.5952 8.5952 8.6760 8.6760 8.9732 8.9732 9.0679 9.0679 9.0882 9.0882 18.6741 18.6741 18.7154 18.7154 20.6464 20.6464 20.7986 20.7986 20.8348 20.8348 k = 0.0000 0.0000 0.2994 ( 2559 PWs) bands (ev): -21.0325 -21.0325 -20.8325 -20.8325 -11.8892 -11.8892 -11.8264 -11.8264 -10.2409 -10.2409 -10.1956 -10.1956 -3.8247 -3.8247 -3.5690 -3.5690 -2.7752 -2.7752 -2.7497 -2.7497 -2.5560 -2.5560 -2.2926 -2.2926 5.6252 5.6252 5.6593 5.6593 6.0512 6.0512 6.1044 6.1044 6.3241 6.3241 6.6167 6.6167 7.8084 7.8084 8.6237 8.6237 8.7059 8.7059 8.9416 8.9416 9.0098 9.0098 9.0724 9.0724 18.7825 18.7825 18.8246 18.8246 20.6871 20.6871 20.7258 20.7258 20.8058 20.8058 k = 0.0000 0.0000 0.3114 ( 2559 PWs) bands (ev): -21.0206 -21.0206 -20.8445 -20.8445 -11.8896 -11.8896 -11.8340 -11.8340 -10.2364 -10.2364 -10.1960 -10.1960 -3.8051 -3.8051 -3.5809 -3.5809 -2.7410 -2.7410 -2.7379 -2.7379 -2.5675 -2.5675 -2.3137 -2.3137 5.6443 5.6443 5.6793 5.6793 6.0179 6.0179 6.0694 6.0694 6.3147 6.3147 6.5758 6.5758 7.8731 7.8731 8.6515 8.6515 8.7351 8.7351 8.8871 8.8871 8.9732 8.9732 9.0559 9.0559 18.8935 18.8935 18.9363 18.9363 20.5725 20.5725 20.6132 20.6132 20.9661 20.9661 k = 0.0000 0.0000 0.3234 ( 2546 PWs) bands (ev): -21.0084 -21.0084 -20.8567 -20.8567 -11.8894 -11.8894 -11.8412 -11.8412 -10.2320 -10.2320 -10.1967 -10.1967 -3.7860 -3.7860 -3.5934 -3.5934 -2.7260 -2.7260 -2.7065 -2.7065 -2.5791 -2.5791 -2.3364 -2.3364 5.6646 5.6646 5.7003 5.7003 5.9852 5.9852 6.0352 6.0352 6.3092 6.3092 6.5366 6.5366 7.9399 7.9399 8.6787 8.6787 8.7635 8.7635 8.8185 8.8185 8.9494 8.9494 9.0385 9.0385 19.0069 19.0069 19.0505 19.0505 20.4553 20.4553 20.4977 20.4977 21.1270 21.1270 k = 0.0000 0.0000 0.3353 ( 2546 PWs) bands (ev): -20.9960 -20.9960 -20.8691 -20.8691 -11.8886 -11.8886 -11.8480 -11.8480 -10.2278 -10.2278 -10.1979 -10.1979 -3.7672 -3.7672 -3.6065 -3.6065 -2.7140 -2.7140 -2.6719 -2.6719 -2.5910 -2.5910 -2.3607 -2.3607 5.6858 5.6858 5.7224 5.7224 5.9534 5.9534 6.0018 6.0018 6.3075 6.3075 6.4997 6.4997 8.0083 8.0083 8.7051 8.7051 8.7453 8.7453 8.7911 8.7911 8.9290 8.9290 9.0203 9.0203 19.1225 19.1225 19.1668 19.1668 20.3359 20.3359 20.3796 20.3796 21.2878 21.2878 k = 0.0000 0.0000 0.3473 ( 2540 PWs) bands (ev): -20.9835 -20.9835 -20.8816 -20.8816 -11.8872 -11.8872 -11.8545 -11.8545 -10.2236 -10.2236 -10.1994 -10.1994 -3.7488 -3.7488 -3.6202 -3.6202 -2.7018 -2.7018 -2.6375 -2.6375 -2.6031 -2.6031 -2.3867 -2.3867 5.7081 5.7081 5.7456 5.7456 5.9224 5.9224 5.9693 5.9693 6.3099 6.3099 6.4654 6.4654 8.0783 8.0783 8.6706 8.6706 8.7307 8.7307 8.8179 8.8179 8.9091 8.9091 9.0013 9.0013 19.2401 19.2401 19.2849 19.2849 20.2150 20.2150 20.2597 20.2597 21.4475 21.4475 k = 0.0000 0.0000 0.3593 ( 2540 PWs) bands (ev): -20.9709 -20.9709 -20.8943 -20.8943 -11.8852 -11.8852 -11.8604 -11.8604 -10.2197 -10.2197 -10.2014 -10.2014 -3.7309 -3.7309 -3.6344 -3.6344 -2.6895 -2.6895 -2.6152 -2.6152 -2.6033 -2.6033 -2.4141 -2.4141 5.7314 5.7314 5.7698 5.7698 5.8923 5.8923 5.9378 5.9378 6.3162 6.3162 6.4339 6.4339 8.1496 8.1496 8.5953 8.5953 8.7556 8.7556 8.8439 8.8439 8.8891 8.8891 8.9814 8.9814 19.3593 19.3593 19.4047 19.4047 20.0930 20.0930 20.1383 20.1383 21.6017 21.6017 k = 0.0000 0.0000 0.3713 ( 2540 PWs) bands (ev): -20.9582 -20.9582 -20.9070 -20.9070 -11.8825 -11.8825 -11.8659 -11.8659 -10.2160 -10.2160 -10.2037 -10.2037 -3.7136 -3.7136 -3.6491 -3.6491 -2.6771 -2.6771 -2.6275 -2.6275 -2.5696 -2.5696 -2.4429 -2.4429 5.7557 5.7557 5.7952 5.7952 5.8631 5.8631 5.9072 5.9072 6.3265 6.3265 6.4054 6.4054 8.2220 8.2220 8.5199 8.5199 8.7797 8.7797 8.8686 8.8686 8.8689 8.8689 8.9606 8.9606 19.4799 19.4799 19.5257 19.5257 19.9702 19.9702 20.0160 20.0160 21.7148 21.7148 k = 0.0000 0.0000 0.3832 ( 2528 PWs) bands (ev): -20.9454 -20.9454 -20.9198 -20.9198 -11.8792 -11.8792 -11.8709 -11.8709 -10.2125 -10.2125 -10.2063 -10.2063 -3.6967 -3.6967 -3.6644 -3.6644 -2.6647 -2.6647 -2.6399 -2.6399 -2.5365 -2.5365 -2.4730 -2.4730 5.7811 5.7811 5.8216 5.8216 5.8348 5.8348 5.8776 5.8776 6.3407 6.3407 6.3803 6.3803 8.2955 8.2955 8.4446 8.4446 8.8031 8.8031 8.8475 8.8475 8.8932 8.8932 8.9390 8.9390 19.6017 19.6017 19.6477 19.6477 19.8472 19.8472 19.8932 19.8932 21.7521 21.7521 k = 0.0000 0.0000 0.3952 ( 2528 PWs) bands (ev): -20.9326 -20.9326 -20.9326 -20.9326 -11.8753 -11.8753 -11.8753 -11.8753 -10.2092 -10.2092 -10.2092 -10.2092 -3.6803 -3.6803 -3.6803 -3.6803 -2.6523 -2.6523 -2.6523 -2.6523 -2.5043 -2.5043 -2.5043 -2.5043 5.8074 5.8074 5.8074 5.8074 5.8491 5.8491 5.8491 5.8491 6.3587 6.3587 6.3587 6.3587 8.3697 8.3697 8.3697 8.3697 8.8256 8.8256 8.8256 8.8256 8.9165 8.9165 8.9165 8.9165 19.7242 19.7242 19.7242 19.7242 19.7703 19.7703 19.7703 19.7703 21.7708 21.7708 k = 0.0000 0.0000 0.3952 ( 2528 PWs) bands (ev): -20.9326 -20.9326 -20.9326 -20.9326 -11.8753 -11.8753 -11.8753 -11.8753 -10.2092 -10.2092 -10.2092 -10.2092 -3.6803 -3.6803 -3.6803 -3.6803 -2.6523 -2.6523 -2.6523 -2.6523 -2.5043 -2.5043 -2.5043 -2.5043 5.8074 5.8074 5.8074 5.8074 5.8491 5.8491 5.8491 5.8491 6.3587 6.3587 6.3587 6.3587 8.3697 8.3697 8.3697 8.3697 8.8256 8.8256 8.8256 8.8256 8.9165 8.9165 8.9165 8.9165 19.7242 19.7242 19.7242 19.7242 19.7703 19.7703 19.7703 19.7703 21.7708 21.7708 k = 0.0106 0.0061 0.3952 ( 2532 PWs) bands (ev): -20.9324 -20.9324 -20.9324 -20.9324 -11.8759 -11.8759 -11.8759 -11.8759 -10.2094 -10.2094 -10.2094 -10.2094 -3.6802 -3.6802 -3.6802 -3.6802 -2.6521 -2.6521 -2.6521 -2.6521 -2.5043 -2.5043 -2.5043 -2.5043 5.8086 5.8086 5.8086 5.8086 5.8502 5.8502 5.8502 5.8502 6.3588 6.3588 6.3588 6.3588 8.3677 8.3677 8.3677 8.3677 8.8260 8.8260 8.8260 8.8260 8.9168 8.9168 8.9168 8.9168 19.7238 19.7238 19.7238 19.7238 19.7699 19.7699 19.7699 19.7699 21.7714 21.7714 k = 0.0213 0.0123 0.3952 ( 2540 PWs) bands (ev): -20.9320 -20.9320 -20.9320 -20.9320 -11.8775 -11.8775 -11.8775 -11.8775 -10.2100 -10.2100 -10.2100 -10.2100 -3.6799 -3.6799 -3.6799 -3.6799 -2.6518 -2.6518 -2.6518 -2.6518 -2.5044 -2.5044 -2.5044 -2.5044 5.8121 5.8121 5.8121 5.8121 5.8535 5.8535 5.8535 5.8535 6.3592 6.3592 6.3592 6.3592 8.3618 8.3618 8.3618 8.3618 8.8271 8.8271 8.8271 8.8271 8.9177 8.9177 8.9177 8.9177 19.7225 19.7225 19.7225 19.7225 19.7688 19.7688 19.7688 19.7688 21.7729 21.7729 k = 0.0319 0.0184 0.3952 ( 2544 PWs) bands (ev): -20.9312 -20.9312 -20.9312 -20.9312 -11.8801 -11.8801 -11.8801 -11.8801 -10.2109 -10.2109 -10.2109 -10.2109 -3.6794 -3.6794 -3.6794 -3.6794 -2.6513 -2.6513 -2.6513 -2.6513 -2.5045 -2.5045 -2.5045 -2.5045 5.8179 5.8179 5.8179 5.8179 5.8590 5.8590 5.8590 5.8590 6.3598 6.3598 6.3598 6.3598 8.3522 8.3522 8.3522 8.3522 8.8285 8.8285 8.8285 8.8285 8.9194 8.9194 8.9194 8.9194 19.7202 19.7202 19.7202 19.7202 19.7672 19.7672 19.7672 19.7672 21.7755 21.7755 k = 0.0426 0.0246 0.3952 ( 2544 PWs) bands (ev): -20.9300 -20.9300 -20.9300 -20.9300 -11.8837 -11.8837 -11.8837 -11.8837 -10.2121 -10.2121 -10.2121 -10.2121 -3.6787 -3.6787 -3.6787 -3.6787 -2.6505 -2.6505 -2.6505 -2.6505 -2.5046 -2.5046 -2.5046 -2.5046 5.8259 5.8259 5.8259 5.8259 5.8666 5.8666 5.8666 5.8666 6.3607 6.3607 6.3607 6.3607 8.3393 8.3393 8.3393 8.3393 8.8298 8.8298 8.8298 8.8298 8.9218 8.9218 8.9218 8.9218 19.7165 19.7165 19.7165 19.7165 19.7655 19.7655 19.7655 19.7655 21.7792 21.7792 k = 0.0532 0.0307 0.3952 ( 2544 PWs) bands (ev): -20.9286 -20.9286 -20.9286 -20.9286 -11.8884 -11.8884 -11.8884 -11.8884 -10.2137 -10.2137 -10.2137 -10.2137 -3.6778 -3.6778 -3.6778 -3.6778 -2.6497 -2.6497 -2.6496 -2.6496 -2.5046 -2.5046 -2.5046 -2.5046 5.8361 5.8361 5.8361 5.8361 5.8763 5.8763 5.8763 5.8763 6.3620 6.3620 6.3620 6.3620 8.3236 8.3236 8.3236 8.3236 8.8306 8.8306 8.8306 8.8306 8.9252 8.9252 8.9252 8.9252 19.7111 19.7111 19.7111 19.7111 19.7642 19.7642 19.7642 19.7642 21.7838 21.7838 k = 0.0638 0.0369 0.3952 ( 2540 PWs) bands (ev): -20.9268 -20.9268 -20.9268 -20.9268 -11.8940 -11.8940 -11.8940 -11.8940 -10.2156 -10.2156 -10.2156 -10.2156 -3.6767 -3.6767 -3.6767 -3.6767 -2.6487 -2.6487 -2.6487 -2.6487 -2.5045 -2.5045 -2.5045 -2.5045 5.8482 5.8482 5.8482 5.8482 5.8880 5.8880 5.8880 5.8880 6.3637 6.3637 6.3637 6.3637 8.3056 8.3056 8.3056 8.3056 8.8305 8.8305 8.8305 8.8305 8.9296 8.9296 8.9296 8.9296 19.7039 19.7039 19.7039 19.7039 19.7636 19.7636 19.7636 19.7636 21.7894 21.7894 k = 0.0745 0.0430 0.3952 ( 2542 PWs) bands (ev): -20.9248 -20.9248 -20.9248 -20.9248 -11.9005 -11.9005 -11.9005 -11.9005 -10.2180 -10.2180 -10.2180 -10.2180 -3.6756 -3.6756 -3.6756 -3.6756 -2.6476 -2.6476 -2.6476 -2.6476 -2.5041 -2.5041 -2.5041 -2.5041 5.8620 5.8620 5.8620 5.8620 5.9018 5.9018 5.9018 5.9018 6.3657 6.3657 6.3657 6.3657 8.2859 8.2859 8.2859 8.2859 8.8292 8.8292 8.8292 8.8292 8.9347 8.9347 8.9347 8.9347 19.6949 19.6949 19.6950 19.6950 19.7637 19.7637 19.7637 19.7637 21.7959 21.7959 k = 0.0851 0.0491 0.3952 ( 2542 PWs) bands (ev): -20.9225 -20.9225 -20.9225 -20.9225 -11.9080 -11.9080 -11.9080 -11.9080 -10.2206 -10.2206 -10.2206 -10.2206 -3.6743 -3.6743 -3.6743 -3.6743 -2.6466 -2.6466 -2.6466 -2.6466 -2.5033 -2.5033 -2.5033 -2.5033 5.8772 5.8772 5.8772 5.8772 5.9175 5.9175 5.9175 5.9175 6.3682 6.3682 6.3682 6.3682 8.2649 8.2649 8.2649 8.2649 8.8266 8.8266 8.8266 8.8266 8.9404 8.9404 8.9404 8.9404 19.6844 19.6844 19.6844 19.6844 19.7645 19.7645 19.7645 19.7645 21.8030 21.8030 k = 0.0957 0.0553 0.3952 ( 2540 PWs) bands (ev): -20.9198 -20.9198 -20.9198 -20.9198 -11.9163 -11.9163 -11.9163 -11.9163 -10.2236 -10.2236 -10.2236 -10.2236 -3.6729 -3.6729 -3.6729 -3.6729 -2.6458 -2.6458 -2.6458 -2.6458 -2.5021 -2.5021 -2.5021 -2.5021 5.8934 5.8934 5.8934 5.8934 5.9354 5.9354 5.9354 5.9354 6.3713 6.3713 6.3713 6.3713 8.2431 8.2431 8.2431 8.2431 8.8227 8.8227 8.8227 8.8227 8.9463 8.9463 8.9463 8.9463 19.6724 19.6724 19.6724 19.6724 19.7660 19.7660 19.7660 19.7660 21.8107 21.8107 k = 0.1064 0.0614 0.3952 ( 2544 PWs) bands (ev): -20.9169 -20.9169 -20.9169 -20.9169 -11.9255 -11.9255 -11.9255 -11.9255 -10.2270 -10.2270 -10.2270 -10.2270 -3.6715 -3.6715 -3.6715 -3.6715 -2.6451 -2.6451 -2.6451 -2.6451 -2.5002 -2.5002 -2.5002 -2.5002 5.9102 5.9102 5.9102 5.9102 5.9554 5.9554 5.9554 5.9554 6.3749 6.3749 6.3749 6.3749 8.2211 8.2211 8.2211 8.2211 8.8176 8.8176 8.8176 8.8176 8.9522 8.9522 8.9522 8.9522 19.6595 19.6595 19.6595 19.6595 19.7681 19.7681 19.7681 19.7681 21.8186 21.8186 k = 0.1170 0.0676 0.3952 ( 2546 PWs) bands (ev): -20.9138 -20.9138 -20.9138 -20.9138 -11.9354 -11.9354 -11.9354 -11.9354 -10.2307 -10.2307 -10.2307 -10.2307 -3.6701 -3.6701 -3.6701 -3.6701 -2.6447 -2.6447 -2.6447 -2.6447 -2.4976 -2.4976 -2.4976 -2.4976 5.9271 5.9271 5.9271 5.9271 5.9777 5.9777 5.9777 5.9777 6.3792 6.3792 6.3792 6.3792 8.1993 8.1993 8.1993 8.1993 8.8114 8.8114 8.8114 8.8114 8.9579 8.9579 8.9579 8.9579 19.6457 19.6457 19.6457 19.6457 19.7707 19.7707 19.7707 19.7707 21.8262 21.8262 k = 0.1277 0.0737 0.3952 ( 2542 PWs) bands (ev): -20.9104 -20.9104 -20.9104 -20.9104 -11.9461 -11.9461 -11.9461 -11.9461 -10.2348 -10.2348 -10.2348 -10.2348 -3.6686 -3.6686 -3.6686 -3.6686 -2.6447 -2.6447 -2.6447 -2.6447 -2.4941 -2.4941 -2.4941 -2.4941 5.9436 5.9436 5.9436 5.9436 6.0022 6.0022 6.0022 6.0022 6.3841 6.3841 6.3841 6.3841 8.1782 8.1782 8.1782 8.1782 8.8041 8.8041 8.8041 8.8041 8.9629 8.9629 8.9629 8.9629 19.6314 19.6314 19.6314 19.6314 19.7736 19.7736 19.7736 19.7736 21.8331 21.8331 k = 0.1383 0.0798 0.3952 ( 2542 PWs) bands (ev): -20.9067 -20.9067 -20.9067 -20.9067 -11.9574 -11.9574 -11.9574 -11.9574 -10.2391 -10.2391 -10.2391 -10.2391 -3.6672 -3.6672 -3.6672 -3.6672 -2.6451 -2.6451 -2.6451 -2.6451 -2.4897 -2.4897 -2.4897 -2.4897 5.9594 5.9594 5.9594 5.9594 6.0290 6.0290 6.0290 6.0290 6.3896 6.3896 6.3896 6.3896 8.1582 8.1582 8.1582 8.1582 8.7958 8.7958 8.7958 8.7958 8.9672 8.9672 8.9672 8.9672 19.6169 19.6169 19.6169 19.6169 19.7769 19.7769 19.7769 19.7769 21.8386 21.8386 k = 0.1489 0.0860 0.3952 ( 2542 PWs) bands (ev): -20.9029 -20.9029 -20.9029 -20.9029 -11.9693 -11.9693 -11.9693 -11.9693 -10.2439 -10.2439 -10.2439 -10.2439 -3.6659 -3.6659 -3.6659 -3.6659 -2.6460 -2.6460 -2.6460 -2.6460 -2.4842 -2.4842 -2.4842 -2.4842 5.9741 5.9741 5.9741 5.9741 6.0579 6.0579 6.0579 6.0579 6.3957 6.3957 6.3957 6.3957 8.1399 8.1399 8.1399 8.1399 8.7866 8.7866 8.7866 8.7866 8.9705 8.9705 8.9705 8.9705 19.6022 19.6022 19.6022 19.6022 19.7805 19.7805 19.7805 19.7805 21.8416 21.8416 k = 0.1596 0.0921 0.3952 ( 2542 PWs) bands (ev): -20.8988 -20.8988 -20.8988 -20.8988 -11.9818 -11.9818 -11.9818 -11.9818 -10.2489 -10.2489 -10.2489 -10.2489 -3.6646 -3.6646 -3.6646 -3.6646 -2.6474 -2.6474 -2.6474 -2.6474 -2.4776 -2.4776 -2.4776 -2.4776 5.9876 5.9876 5.9876 5.9876 6.0888 6.0888 6.0888 6.0888 6.4023 6.4023 6.4023 6.4023 8.1236 8.1236 8.1236 8.1236 8.7765 8.7765 8.7765 8.7765 8.9727 8.9727 8.9727 8.9727 19.5877 19.5877 19.5877 19.5877 19.7844 19.7844 19.7844 19.7844 21.8411 21.8411 k = 0.1702 0.0983 0.3952 ( 2542 PWs) bands (ev): -20.8946 -20.8946 -20.8946 -20.8946 -11.9947 -11.9947 -11.9947 -11.9947 -10.2542 -10.2542 -10.2542 -10.2542 -3.6635 -3.6635 -3.6635 -3.6635 -2.6492 -2.6492 -2.6492 -2.6492 -2.4699 -2.4699 -2.4699 -2.4699 5.9996 5.9996 5.9996 5.9996 6.1215 6.1215 6.1215 6.1215 6.4094 6.4094 6.4094 6.4094 8.1098 8.1098 8.1098 8.1098 8.7655 8.7655 8.7655 8.7655 8.9738 8.9738 8.9738 8.9738 19.5734 19.5734 19.5734 19.5734 19.7885 19.7885 19.7885 19.7885 21.8361 21.8361 k = 0.1809 0.1044 0.3952 ( 2550 PWs) bands (ev): -20.8902 -20.8902 -20.8902 -20.8902 -12.0081 -12.0081 -12.0081 -12.0081 -10.2598 -10.2598 -10.2598 -10.2598 -3.6625 -3.6625 -3.6625 -3.6625 -2.6515 -2.6515 -2.6515 -2.6515 -2.4612 -2.4612 -2.4612 -2.4612 6.0100 6.0100 6.0100 6.0100 6.1558 6.1558 6.1558 6.1558 6.4167 6.4167 6.4167 6.4167 8.0988 8.0988 8.0988 8.0988 8.7538 8.7538 8.7538 8.7538 8.9735 8.9735 8.9735 8.9735 19.5596 19.5596 19.5596 19.5596 19.7927 19.7927 19.7927 19.7927 21.8254 21.8254 k = 0.1915 0.1106 0.3952 ( 2546 PWs) bands (ev): -20.8856 -20.8856 -20.8856 -20.8856 -12.0218 -12.0218 -12.0218 -12.0218 -10.2657 -10.2657 -10.2657 -10.2657 -3.6616 -3.6616 -3.6616 -3.6616 -2.6542 -2.6542 -2.6542 -2.6542 -2.4513 -2.4513 -2.4513 -2.4513 6.0187 6.0187 6.0187 6.0187 6.1917 6.1917 6.1917 6.1917 6.4241 6.4241 6.4241 6.4241 8.0911 8.0911 8.0911 8.0911 8.7413 8.7413 8.7413 8.7413 8.9720 8.9720 8.9720 8.9720 19.5464 19.5464 19.5464 19.5464 19.7972 19.7972 19.7972 19.7972 21.8085 21.8085 k = 0.2021 0.1167 0.3952 ( 2542 PWs) bands (ev): -20.8809 -20.8809 -20.8809 -20.8809 -12.0358 -12.0358 -12.0358 -12.0358 -10.2718 -10.2718 -10.2718 -10.2718 -3.6609 -3.6609 -3.6609 -3.6609 -2.6573 -2.6573 -2.6573 -2.6573 -2.4405 -2.4405 -2.4405 -2.4405 6.0254 6.0254 6.0254 6.0254 6.2289 6.2289 6.2289 6.2289 6.4314 6.4314 6.4314 6.4314 8.0869 8.0869 8.0869 8.0869 8.7280 8.7280 8.7280 8.7280 8.9691 8.9691 8.9691 8.9691 19.5338 19.5338 19.5338 19.5338 19.8018 19.8018 19.8018 19.8018 21.7852 21.7852 k = 0.2128 0.1228 0.3952 ( 2546 PWs) bands (ev): -20.8761 -20.8761 -20.8761 -20.8761 -12.0500 -12.0500 -12.0500 -12.0500 -10.2781 -10.2781 -10.2781 -10.2781 -3.6604 -3.6604 -3.6604 -3.6604 -2.6606 -2.6606 -2.6606 -2.6606 -2.4288 -2.4288 -2.4288 -2.4288 6.0303 6.0303 6.0303 6.0303 6.2672 6.2672 6.2672 6.2672 6.4384 6.4384 6.4384 6.4384 8.0865 8.0865 8.0865 8.0865 8.7141 8.7141 8.7141 8.7141 8.9648 8.9648 8.9648 8.9648 19.5221 19.5221 19.5221 19.5221 19.8065 19.8065 19.8065 19.8065 21.7558 21.7558 k = 0.2234 0.1290 0.3952 ( 2542 PWs) bands (ev): -20.8713 -20.8713 -20.8713 -20.8713 -12.0643 -12.0643 -12.0643 -12.0643 -10.2846 -10.2846 -10.2846 -10.2846 -3.6601 -3.6601 -3.6601 -3.6601 -2.6642 -2.6642 -2.6642 -2.6642 -2.4161 -2.4161 -2.4161 -2.4161 6.0332 6.0332 6.0332 6.0332 6.3066 6.3066 6.3066 6.3066 6.4451 6.4451 6.4451 6.4451 8.0899 8.0899 8.0899 8.0899 8.6994 8.6994 8.6994 8.6994 8.9592 8.9592 8.9592 8.9592 19.5114 19.5114 19.5114 19.5114 19.8112 19.8112 19.8112 19.8112 21.7208 21.7208 k = 0.2340 0.1351 0.3952 ( 2546 PWs) bands (ev): -20.8663 -20.8663 -20.8663 -20.8663 -12.0788 -12.0788 -12.0788 -12.0788 -10.2913 -10.2913 -10.2913 -10.2913 -3.6600 -3.6600 -3.6600 -3.6600 -2.6679 -2.6679 -2.6679 -2.6679 -2.4028 -2.4028 -2.4028 -2.4028 6.0342 6.0342 6.0342 6.0342 6.3466 6.3466 6.3466 6.3466 6.4515 6.4515 6.4515 6.4515 8.0974 8.0974 8.0974 8.0974 8.6841 8.6841 8.6841 8.6841 8.9522 8.9522 8.9522 8.9522 19.5016 19.5016 19.5016 19.5016 19.8161 19.8161 19.8161 19.8161 21.6809 21.6809 k = 0.2447 0.1413 0.3952 ( 2542 PWs) bands (ev): -20.8613 -20.8613 -20.8613 -20.8613 -12.0933 -12.0933 -12.0933 -12.0933 -10.2981 -10.2981 -10.2981 -10.2981 -3.6600 -3.6600 -3.6600 -3.6600 -2.6717 -2.6717 -2.6717 -2.6717 -2.3887 -2.3887 -2.3887 -2.3887 6.0332 6.0332 6.0332 6.0332 6.3867 6.3867 6.3867 6.3867 6.4580 6.4580 6.4580 6.4580 8.1088 8.1088 8.1088 8.1088 8.6681 8.6681 8.6681 8.6681 8.9440 8.9440 8.9440 8.9440 19.4929 19.4929 19.4929 19.4929 19.8209 19.8209 19.8209 19.8209 21.6371 21.6371 k = 0.2553 0.1474 0.3952 ( 2542 PWs) bands (ev): -20.8563 -20.8563 -20.8563 -20.8563 -12.1078 -12.1078 -12.1078 -12.1078 -10.3050 -10.3050 -10.3050 -10.3050 -3.6603 -3.6603 -3.6603 -3.6603 -2.6755 -2.6755 -2.6755 -2.6755 -2.3741 -2.3741 -2.3741 -2.3741 6.0303 6.0303 6.0303 6.0303 6.4250 6.4250 6.4250 6.4250 6.4665 6.4665 6.4665 6.4665 8.1239 8.1239 8.1239 8.1239 8.6516 8.6516 8.6516 8.6516 8.9346 8.9346 8.9346 8.9346 19.4853 19.4853 19.4853 19.4853 19.8258 19.8258 19.8258 19.8258 21.5899 21.5899 k = 0.2660 0.1536 0.3952 ( 2546 PWs) bands (ev): -20.8513 -20.8513 -20.8513 -20.8513 -12.1221 -12.1221 -12.1221 -12.1221 -10.3120 -10.3120 -10.3120 -10.3120 -3.6607 -3.6607 -3.6607 -3.6607 -2.6794 -2.6794 -2.6794 -2.6794 -2.3591 -2.3591 -2.3591 -2.3591 6.0255 6.0255 6.0255 6.0255 6.4515 6.4515 6.4515 6.4515 6.4868 6.4868 6.4868 6.4868 8.1427 8.1427 8.1427 8.1427 8.6345 8.6345 8.6345 8.6345 8.9240 8.9240 8.9240 8.9240 19.4788 19.4788 19.4788 19.4788 19.8306 19.8306 19.8306 19.8306 21.5401 21.5401 k = 0.2766 0.1597 0.3952 ( 2542 PWs) bands (ev): -20.8463 -20.8463 -20.8463 -20.8463 -12.1363 -12.1363 -12.1363 -12.1363 -10.3190 -10.3190 -10.3190 -10.3190 -3.6613 -3.6613 -3.6613 -3.6613 -2.6832 -2.6832 -2.6832 -2.6832 -2.3436 -2.3436 -2.3436 -2.3436 6.0189 6.0189 6.0189 6.0189 6.4615 6.4615 6.4615 6.4615 6.5235 6.5235 6.5235 6.5235 8.1648 8.1648 8.1648 8.1648 8.6169 8.6169 8.6169 8.6169 8.9123 8.9123 8.9123 8.9123 19.4735 19.4735 19.4735 19.4735 19.8354 19.8354 19.8354 19.8354 21.4881 21.4881 k = 0.2872 0.1658 0.3952 ( 2542 PWs) bands (ev): -20.8414 -20.8414 -20.8414 -20.8414 -12.1503 -12.1503 -12.1503 -12.1503 -10.3260 -10.3260 -10.3260 -10.3260 -3.6621 -3.6621 -3.6621 -3.6621 -2.6869 -2.6869 -2.6869 -2.6869 -2.3279 -2.3279 -2.3279 -2.3279 6.0105 6.0105 6.0105 6.0105 6.4667 6.4667 6.4667 6.4667 6.5650 6.5650 6.5651 6.5651 8.1897 8.1897 8.1897 8.1897 8.5988 8.5988 8.5988 8.5988 8.8998 8.8998 8.8998 8.8998 19.4694 19.4694 19.4694 19.4694 19.8401 19.8401 19.8401 19.8401 21.4346 21.4346 k = 0.2979 0.1720 0.3952 ( 2544 PWs) bands (ev): -20.8365 -20.8365 -20.8365 -20.8365 -12.1640 -12.1640 -12.1640 -12.1640 -10.3330 -10.3330 -10.3330 -10.3330 -3.6630 -3.6630 -3.6630 -3.6630 -2.6906 -2.6906 -2.6906 -2.6906 -2.3121 -2.3121 -2.3121 -2.3121 6.0005 6.0005 6.0005 6.0005 6.4707 6.4707 6.4707 6.4707 6.6077 6.6077 6.6077 6.6077 8.2172 8.2172 8.2172 8.2172 8.5802 8.5802 8.5802 8.5802 8.8864 8.8864 8.8864 8.8864 19.4665 19.4665 19.4665 19.4665 19.8448 19.8448 19.8448 19.8448 21.3801 21.3801 k = 0.3085 0.1781 0.3952 ( 2548 PWs) bands (ev): -20.8317 -20.8317 -20.8317 -20.8317 -12.1774 -12.1774 -12.1774 -12.1774 -10.3399 -10.3399 -10.3399 -10.3399 -3.6641 -3.6641 -3.6641 -3.6641 -2.6941 -2.6941 -2.6941 -2.6941 -2.2962 -2.2962 -2.2962 -2.2962 5.9890 5.9890 5.9890 5.9890 6.4744 6.4744 6.4744 6.4744 6.6506 6.6506 6.6506 6.6506 8.2466 8.2466 8.2466 8.2466 8.5613 8.5613 8.5613 8.5613 8.8724 8.8724 8.8724 8.8724 19.4647 19.4647 19.4647 19.4647 19.8493 19.8493 19.8493 19.8493 21.3248 21.3248 k = 0.3191 0.1843 0.3952 ( 2556 PWs) bands (ev): -20.8271 -20.8271 -20.8271 -20.8271 -12.1904 -12.1904 -12.1904 -12.1904 -10.3467 -10.3467 -10.3467 -10.3467 -3.6652 -3.6652 -3.6652 -3.6652 -2.6975 -2.6975 -2.6975 -2.6975 -2.2804 -2.2804 -2.2804 -2.2804 5.9762 5.9762 5.9762 5.9762 6.4781 6.4781 6.4781 6.4781 6.6935 6.6935 6.6935 6.6935 8.2776 8.2776 8.2776 8.2776 8.5421 8.5421 8.5421 8.5421 8.8579 8.8579 8.8579 8.8579 19.4640 19.4640 19.4640 19.4640 19.8537 19.8537 19.8537 19.8537 21.2694 21.2694 k = 0.3298 0.1904 0.3952 ( 2556 PWs) bands (ev): -20.8225 -20.8225 -20.8225 -20.8225 -12.2029 -12.2029 -12.2029 -12.2029 -10.3533 -10.3533 -10.3533 -10.3533 -3.6665 -3.6665 -3.6665 -3.6665 -2.7007 -2.7007 -2.7007 -2.7007 -2.2647 -2.2647 -2.2647 -2.2647 5.9624 5.9624 5.9624 5.9624 6.4818 6.4818 6.4818 6.4818 6.7360 6.7360 6.7360 6.7360 8.3095 8.3095 8.3095 8.3095 8.5227 8.5227 8.5227 8.5227 8.8431 8.8431 8.8431 8.8431 19.4644 19.4644 19.4644 19.4644 19.8579 19.8579 19.8579 19.8579 21.2142 21.2142 k = 0.3404 0.1965 0.3952 ( 2556 PWs) bands (ev): -20.8181 -20.8181 -20.8181 -20.8181 -12.2150 -12.2150 -12.2150 -12.2150 -10.3598 -10.3598 -10.3598 -10.3598 -3.6678 -3.6678 -3.6678 -3.6678 -2.7037 -2.7037 -2.7037 -2.7037 -2.2494 -2.2494 -2.2494 -2.2494 5.9477 5.9477 5.9477 5.9477 6.4858 6.4858 6.4858 6.4858 6.7779 6.7779 6.7779 6.7779 8.3419 8.3419 8.3419 8.3419 8.5032 8.5032 8.5032 8.5032 8.8282 8.8282 8.8282 8.8282 19.4658 19.4658 19.4658 19.4658 19.8619 19.8619 19.8619 19.8619 21.1595 21.1595 k = 0.3511 0.2027 0.3952 ( 2552 PWs) bands (ev): -20.8139 -20.8139 -20.8139 -20.8139 -12.2264 -12.2264 -12.2264 -12.2264 -10.3660 -10.3660 -10.3660 -10.3660 -3.6691 -3.6691 -3.6691 -3.6691 -2.7066 -2.7066 -2.7066 -2.7066 -2.2344 -2.2344 -2.2344 -2.2344 5.9324 5.9324 5.9324 5.9324 6.4900 6.4900 6.4900 6.4900 6.8190 6.8190 6.8190 6.8190 8.3740 8.3740 8.3740 8.3740 8.4839 8.4839 8.4839 8.4839 8.8134 8.8134 8.8134 8.8134 19.4681 19.4681 19.4681 19.4681 19.8658 19.8658 19.8658 19.8658 21.1059 21.1059 k = 0.3617 0.2088 0.3952 ( 2544 PWs) bands (ev): -20.8099 -20.8099 -20.8099 -20.8099 -12.2374 -12.2374 -12.2374 -12.2374 -10.3720 -10.3720 -10.3720 -10.3720 -3.6705 -3.6705 -3.6705 -3.6705 -2.7092 -2.7092 -2.7092 -2.7092 -2.2199 -2.2199 -2.2199 -2.2199 5.9169 5.9169 5.9169 5.9169 6.4945 6.4945 6.4945 6.4945 6.8591 6.8591 6.8591 6.8591 8.4049 8.4049 8.4049 8.4049 8.4653 8.4653 8.4653 8.4653 8.7991 8.7991 8.7991 8.7991 19.4712 19.4712 19.4712 19.4712 19.8694 19.8694 19.8694 19.8694 21.0536 21.0536 k = 0.3723 0.2150 0.3952 ( 2536 PWs) bands (ev): -20.8061 -20.8061 -20.8061 -20.8061 -12.2476 -12.2476 -12.2476 -12.2476 -10.3776 -10.3776 -10.3776 -10.3776 -3.6719 -3.6719 -3.6719 -3.6719 -2.7117 -2.7117 -2.7117 -2.7117 -2.2060 -2.2060 -2.2060 -2.2060 5.9013 5.9013 5.9013 5.9013 6.4991 6.4991 6.4991 6.4991 6.8980 6.8980 6.8980 6.8980 8.4287 8.4287 8.4287 8.4287 8.4527 8.4527 8.4527 8.4527 8.7854 8.7854 8.7854 8.7854 19.4751 19.4751 19.4751 19.4751 19.8729 19.8729 19.8729 19.8729 21.0031 21.0031 k = 0.3830 0.2211 0.3952 ( 2544 PWs) bands (ev): -20.8025 -20.8025 -20.8025 -20.8025 -12.2573 -12.2573 -12.2573 -12.2573 -10.3830 -10.3830 -10.3830 -10.3830 -3.6733 -3.6733 -3.6733 -3.6733 -2.7139 -2.7139 -2.7139 -2.7139 -2.1929 -2.1929 -2.1929 -2.1929 5.8858 5.8858 5.8859 5.8859 6.5038 6.5038 6.5038 6.5038 6.9353 6.9353 6.9353 6.9353 8.4213 8.4213 8.4213 8.4213 8.4701 8.4701 8.4701 8.4701 8.7728 8.7728 8.7728 8.7728 19.4796 19.4796 19.4796 19.4796 19.8760 19.8760 19.8760 19.8760 20.9547 20.9547 k = 0.3936 0.2273 0.3952 ( 2552 PWs) bands (ev): -20.7992 -20.7992 -20.7992 -20.7992 -12.2662 -12.2662 -12.2662 -12.2662 -10.3880 -10.3880 -10.3880 -10.3880 -3.6746 -3.6746 -3.6746 -3.6746 -2.7160 -2.7160 -2.7160 -2.7160 -2.1805 -2.1805 -2.1805 -2.1805 5.8709 5.8709 5.8709 5.8709 6.5086 6.5086 6.5086 6.5086 6.9708 6.9708 6.9708 6.9708 8.4040 8.4040 8.4040 8.4040 8.4955 8.4955 8.4955 8.4955 8.7615 8.7615 8.7615 8.7615 19.4845 19.4845 19.4845 19.4845 19.8790 19.8790 19.8790 19.8790 20.9087 20.9087 k = 0.4043 0.2334 0.3952 ( 2552 PWs) bands (ev): -20.7962 -20.7962 -20.7962 -20.7962 -12.2743 -12.2743 -12.2743 -12.2743 -10.3926 -10.3926 -10.3926 -10.3926 -3.6759 -3.6759 -3.6759 -3.6759 -2.7179 -2.7179 -2.7179 -2.7179 -2.1690 -2.1690 -2.1690 -2.1690 5.8566 5.8566 5.8566 5.8566 6.5134 6.5134 6.5134 6.5134 7.0043 7.0043 7.0043 7.0043 8.3865 8.3865 8.3865 8.3865 8.5191 8.5191 8.5191 8.5191 8.7521 8.7521 8.7521 8.7521 19.4898 19.4898 19.4898 19.4898 19.8816 19.8816 19.8816 19.8816 20.8657 20.8657 k = 0.4149 0.2395 0.3952 ( 2544 PWs) bands (ev): -20.7934 -20.7934 -20.7934 -20.7934 -12.2817 -12.2817 -12.2817 -12.2817 -10.3968 -10.3968 -10.3968 -10.3968 -3.6770 -3.6770 -3.6770 -3.6770 -2.7195 -2.7195 -2.7195 -2.7195 -2.1585 -2.1585 -2.1585 -2.1585 5.8433 5.8433 5.8433 5.8433 6.5180 6.5180 6.5180 6.5180 7.0355 7.0355 7.0355 7.0355 8.3697 8.3697 8.3697 8.3697 8.5394 8.5394 8.5394 8.5394 8.7449 8.7449 8.7449 8.7449 19.4953 19.4953 19.4953 19.4953 19.8841 19.8841 19.8841 19.8841 20.8258 20.8258 k = 0.4255 0.2457 0.3952 ( 2542 PWs) bands (ev): -20.7909 -20.7909 -20.7909 -20.7909 -12.2883 -12.2883 -12.2883 -12.2883 -10.4006 -10.4006 -10.4006 -10.4006 -3.6781 -3.6781 -3.6781 -3.6781 -2.7209 -2.7209 -2.7209 -2.7209 -2.1490 -2.1490 -2.1490 -2.1490 5.8311 5.8311 5.8311 5.8311 6.5224 6.5224 6.5224 6.5224 7.0641 7.0641 7.0641 7.0641 8.3539 8.3539 8.3539 8.3539 8.5560 8.5560 8.5560 8.5560 8.7403 8.7403 8.7403 8.7403 19.5008 19.5008 19.5008 19.5008 19.8862 19.8862 19.8862 19.8862 20.7896 20.7896 k = 0.4362 0.2518 0.3952 ( 2542 PWs) bands (ev): -20.7887 -20.7887 -20.7887 -20.7887 -12.2941 -12.2941 -12.2941 -12.2941 -10.4039 -10.4039 -10.4039 -10.4039 -3.6791 -3.6791 -3.6791 -3.6791 -2.7222 -2.7222 -2.7222 -2.7222 -2.1406 -2.1406 -2.1406 -2.1406 5.8201 5.8201 5.8201 5.8201 6.5264 6.5264 6.5264 6.5264 7.0897 7.0897 7.0897 7.0897 8.3395 8.3395 8.3395 8.3395 8.5685 8.5685 8.5685 8.5685 8.7383 8.7383 8.7383 8.7383 19.5060 19.5060 19.5060 19.5060 19.8881 19.8881 19.8881 19.8881 20.7573 20.7573 k = 0.4468 0.2580 0.3952 ( 2552 PWs) bands (ev): -20.7869 -20.7869 -20.7869 -20.7869 -12.2990 -12.2990 -12.2990 -12.2990 -10.4067 -10.4067 -10.4067 -10.4067 -3.6800 -3.6800 -3.6800 -3.6800 -2.7232 -2.7232 -2.7232 -2.7232 -2.1335 -2.1335 -2.1335 -2.1335 5.8106 5.8106 5.8106 5.8106 6.5299 6.5299 6.5299 6.5299 7.1120 7.1120 7.1120 7.1120 8.3267 8.3267 8.3267 8.3267 8.5771 8.5771 8.5771 8.5771 8.7388 8.7388 8.7388 8.7388 19.5109 19.5109 19.5109 19.5109 19.8897 19.8897 19.8897 19.8897 20.7293 20.7293 k = 0.4574 0.2641 0.3952 ( 2552 PWs) bands (ev): -20.7854 -20.7854 -20.7854 -20.7854 -12.3031 -12.3031 -12.3031 -12.3031 -10.4090 -10.4090 -10.4090 -10.4090 -3.6807 -3.6807 -3.6807 -3.6807 -2.7241 -2.7241 -2.7241 -2.7241 -2.1275 -2.1275 -2.1275 -2.1275 5.8026 5.8026 5.8026 5.8026 6.5330 6.5330 6.5330 6.5330 7.1308 7.1308 7.1308 7.1308 8.3158 8.3158 8.3158 8.3158 8.5825 8.5825 8.5825 8.5825 8.7409 8.7409 8.7409 8.7409 19.5152 19.5152 19.5152 19.5152 19.8910 19.8910 19.8910 19.8910 20.7059 20.7059 k = 0.4681 0.2702 0.3952 ( 2552 PWs) bands (ev): -20.7842 -20.7842 -20.7842 -20.7842 -12.3062 -12.3062 -12.3062 -12.3062 -10.4109 -10.4109 -10.4109 -10.4109 -3.6812 -3.6812 -3.6812 -3.6812 -2.7247 -2.7247 -2.7247 -2.7247 -2.1229 -2.1229 -2.1229 -2.1229 5.7963 5.7963 5.7963 5.7963 6.5355 6.5355 6.5355 6.5355 7.1457 7.1457 7.1457 7.1457 8.3070 8.3070 8.3070 8.3070 8.5855 8.5855 8.5855 8.5855 8.7438 8.7438 8.7438 8.7438 19.5187 19.5187 19.5187 19.5187 19.8920 19.8920 19.8920 19.8920 20.6874 20.6874 k = 0.4787 0.2764 0.3952 ( 2548 PWs) bands (ev): -20.7833 -20.7833 -20.7833 -20.7833 -12.3085 -12.3085 -12.3085 -12.3085 -10.4122 -10.4122 -10.4122 -10.4122 -3.6816 -3.6816 -3.6816 -3.6816 -2.7252 -2.7252 -2.7252 -2.7252 -2.1195 -2.1195 -2.1195 -2.1195 5.7917 5.7917 5.7917 5.7917 6.5373 6.5373 6.5373 6.5373 7.1566 7.1566 7.1566 7.1566 8.3005 8.3005 8.3005 8.3005 8.5870 8.5870 8.5870 8.5870 8.7465 8.7465 8.7465 8.7465 19.5214 19.5214 19.5214 19.5214 19.8927 19.8927 19.8927 19.8927 20.6740 20.6740 k = 0.4894 0.2825 0.3952 ( 2552 PWs) bands (ev): -20.7828 -20.7828 -20.7828 -20.7828 -12.3099 -12.3099 -12.3099 -12.3099 -10.4130 -10.4130 -10.4130 -10.4130 -3.6819 -3.6819 -3.6819 -3.6819 -2.7255 -2.7255 -2.7255 -2.7255 -2.1175 -2.1175 -2.1175 -2.1175 5.7890 5.7890 5.7890 5.7890 6.5384 6.5384 6.5384 6.5384 7.1632 7.1632 7.1632 7.1632 8.2966 8.2966 8.2966 8.2966 8.5876 8.5876 8.5876 8.5876 8.7485 8.7485 8.7485 8.7485 19.5230 19.5230 19.5230 19.5230 19.8931 19.8931 19.8931 19.8931 20.6659 20.6659 k = 0.5000 0.2887 0.3952 ( 2548 PWs) bands (ev): -20.7826 -20.7826 -20.7826 -20.7826 -12.3103 -12.3103 -12.3103 -12.3103 -10.4133 -10.4133 -10.4133 -10.4133 -3.6820 -3.6820 -3.6820 -3.6820 -2.7256 -2.7256 -2.7256 -2.7256 -2.1168 -2.1168 -2.1168 -2.1168 5.7880 5.7880 5.7880 5.7880 6.5387 6.5387 6.5387 6.5387 7.1654 7.1654 7.1654 7.1654 8.2952 8.2952 8.2952 8.2952 8.5878 8.5878 8.5878 8.5878 8.7492 8.7492 8.7492 8.7492 19.5236 19.5236 19.5236 19.5236 19.8933 19.8933 19.8933 19.8933 20.6632 20.6632 k = 0.5000 0.2887 0.3952 ( 2548 PWs) bands (ev): -20.7826 -20.7826 -20.7826 -20.7826 -12.3103 -12.3103 -12.3103 -12.3103 -10.4133 -10.4133 -10.4133 -10.4133 -3.6820 -3.6820 -3.6820 -3.6820 -2.7256 -2.7256 -2.7256 -2.7256 -2.1168 -2.1168 -2.1168 -2.1168 5.7880 5.7880 5.7880 5.7880 6.5387 6.5387 6.5387 6.5387 7.1654 7.1654 7.1654 7.1654 8.2952 8.2952 8.2952 8.2952 8.5878 8.5878 8.5878 8.5878 8.7492 8.7492 8.7492 8.7492 19.5236 19.5236 19.5236 19.5236 19.8933 19.8933 19.8933 19.8933 20.6632 20.6632 k = 0.4940 0.2990 0.3952 ( 2548 PWs) bands (ev): -20.7826 -20.7826 -20.7826 -20.7826 -12.3108 -12.3108 -12.3098 -12.3098 -10.4139 -10.4139 -10.4133 -10.4133 -3.6932 -3.6932 -3.6700 -3.6700 -2.7303 -2.7303 -2.7208 -2.7208 -2.1254 -2.1254 -2.1080 -2.1080 5.7866 5.7866 5.7868 5.7868 6.5354 6.5354 6.5379 6.5379 7.1642 7.1642 7.1731 7.1731 8.2946 8.2946 8.2966 8.2966 8.5868 8.5868 8.5886 8.5886 8.7489 8.7489 8.7500 8.7500 19.5213 19.5213 19.5227 19.5227 19.8943 19.8943 19.8959 19.8959 20.6631 20.6631 k = 0.4881 0.3093 0.3952 ( 2546 PWs) bands (ev): -20.7824 -20.7824 -20.7824 -20.7824 -12.3113 -12.3113 -12.3092 -12.3092 -10.4152 -10.4152 -10.4141 -10.4141 -3.7036 -3.7036 -3.6573 -3.6573 -2.7349 -2.7349 -2.7161 -2.7161 -2.1337 -2.1337 -2.0990 -2.0990 5.7825 5.7825 5.7830 5.7830 6.5283 6.5283 6.5331 6.5331 7.1693 7.1693 7.1868 7.1868 8.2946 8.2946 8.2985 8.2985 8.5856 8.5856 8.5892 8.5892 8.7491 8.7491 8.7513 8.7513 19.5160 19.5160 19.5189 19.5189 19.8989 19.8989 19.9019 19.9019 20.6639 20.6639 k = 0.4821 0.3196 0.3952 ( 2542 PWs) bands (ev): -20.7821 -20.7821 -20.7821 -20.7821 -12.3118 -12.3118 -12.3087 -12.3087 -10.4172 -10.4172 -10.4156 -10.4156 -3.7132 -3.7132 -3.6440 -3.6440 -2.7395 -2.7395 -2.7113 -2.7113 -2.1419 -2.1419 -2.0899 -2.0899 5.7759 5.7759 5.7767 5.7767 6.5181 6.5181 6.5245 6.5245 7.1804 7.1804 7.2060 7.2060 8.2954 8.2954 8.3011 8.3011 8.5842 8.5842 8.5894 8.5894 8.7499 8.7499 8.7533 8.7533 19.5082 19.5082 19.5122 19.5122 19.9069 19.9069 19.9112 19.9112 20.6656 20.6656 k = 0.4762 0.3299 0.3952 ( 2542 PWs) bands (ev): -20.7818 -20.7818 -20.7818 -20.7818 -12.3123 -12.3123 -12.3081 -12.3081 -10.4199 -10.4199 -10.4178 -10.4178 -3.7220 -3.7220 -3.6300 -3.6300 -2.7439 -2.7439 -2.7067 -2.7067 -2.1499 -2.1499 -2.0806 -2.0806 5.7667 5.7667 5.7678 5.7678 6.5057 6.5057 6.5130 6.5130 7.1967 7.1967 7.2296 7.2296 8.2969 8.2969 8.3043 8.3043 8.5825 8.5825 8.5892 8.5892 8.7513 8.7513 8.7559 8.7559 19.4980 19.4980 19.5030 19.5030 19.9178 19.9178 19.9233 19.9233 20.6681 20.6681 k = 0.4702 0.3402 0.3952 ( 2542 PWs) bands (ev): -20.7813 -20.7813 -20.7813 -20.7813 -12.3127 -12.3127 -12.3075 -12.3075 -10.4232 -10.4232 -10.4206 -10.4206 -3.7300 -3.7300 -3.6155 -3.6155 -2.7482 -2.7482 -2.7021 -2.7021 -2.1576 -2.1576 -2.0711 -2.0711 5.7550 5.7550 5.7564 5.7564 6.4919 6.4919 6.4993 6.4993 7.2171 7.2171 7.2567 7.2567 8.2993 8.2993 8.3081 8.3081 8.5806 8.5806 8.5884 8.5884 8.7534 8.7534 8.7592 8.7592 19.4861 19.4861 19.4919 19.4919 19.9313 19.9313 19.9377 19.9377 20.6715 20.6715 k = 0.4643 0.3505 0.3952 ( 2538 PWs) bands (ev): -20.7808 -20.7808 -20.7807 -20.7807 -12.3132 -12.3132 -12.3069 -12.3069 -10.4272 -10.4272 -10.4240 -10.4240 -3.7373 -3.7373 -3.6005 -3.6005 -2.7525 -2.7525 -2.6977 -2.6977 -2.1650 -2.1650 -2.0614 -2.0614 5.7410 5.7410 5.7427 5.7427 6.4774 6.4774 6.4845 6.4845 7.2409 7.2409 7.2864 7.2864 8.3025 8.3025 8.3124 8.3124 8.5782 8.5782 8.5870 8.5870 8.7562 8.7562 8.7633 8.7633 19.4728 19.4728 19.4792 19.4792 19.9470 19.9470 19.9541 19.9541 20.6757 20.6757 k = 0.4583 0.3608 0.3952 ( 2546 PWs) bands (ev): -20.7801 -20.7801 -20.7801 -20.7801 -12.3136 -12.3136 -12.3064 -12.3064 -10.4317 -10.4317 -10.4279 -10.4279 -3.7437 -3.7437 -3.5851 -3.5851 -2.7566 -2.7566 -2.6934 -2.6934 -2.1721 -2.1721 -2.0516 -2.0516 5.7247 5.7247 5.7267 5.7267 6.4630 6.4630 6.4691 6.4691 7.2669 7.2669 7.3179 7.3179 8.3066 8.3066 8.3173 8.3173 8.5753 8.5753 8.5848 8.5848 8.7598 8.7598 8.7683 8.7683 19.4585 19.4585 19.4652 19.4652 19.9645 19.9645 19.9721 19.9721 20.6807 20.6807 k = 0.4524 0.3712 0.3952 ( 2546 PWs) bands (ev): -20.7794 -20.7794 -20.7794 -20.7794 -12.3140 -12.3140 -12.3059 -12.3059 -10.4366 -10.4366 -10.4324 -10.4324 -3.7495 -3.7495 -3.5694 -3.5694 -2.7606 -2.7606 -2.6894 -2.6894 -2.1789 -2.1789 -2.0416 -2.0416 5.7065 5.7065 5.7088 5.7088 6.4492 6.4492 6.4539 6.4539 7.2944 7.2944 7.3505 7.3505 8.3116 8.3116 8.3228 8.3228 8.5719 8.5719 8.5818 8.5818 8.7643 8.7643 8.7741 8.7741 19.4436 19.4436 19.4505 19.4505 19.9835 19.9835 19.9915 19.9915 20.6864 20.6864 k = 0.4464 0.3815 0.3952 ( 2550 PWs) bands (ev): -20.7786 -20.7786 -20.7786 -20.7786 -12.3145 -12.3145 -12.3054 -12.3054 -10.4420 -10.4420 -10.4373 -10.4373 -3.7545 -3.7545 -3.5534 -3.5534 -2.7646 -2.7646 -2.6857 -2.6857 -2.1853 -2.1853 -2.0315 -2.0315 5.6865 5.6865 5.6891 5.6891 6.4362 6.4362 6.4393 6.4393 7.3227 7.3227 7.3835 7.3835 8.3175 8.3175 8.3288 8.3288 8.5679 8.5679 8.5780 8.5780 8.7696 8.7696 8.7807 8.7807 19.4283 19.4283 19.4353 19.4353 20.0036 20.0036 20.0120 20.0120 20.6927 20.6927 k = 0.4405 0.3918 0.3952 ( 2550 PWs) bands (ev): -20.7778 -20.7778 -20.7777 -20.7777 -12.3150 -12.3150 -12.3049 -12.3049 -10.4478 -10.4478 -10.4425 -10.4425 -3.7588 -3.7588 -3.5374 -3.5374 -2.7685 -2.7685 -2.6822 -2.6822 -2.1913 -2.1913 -2.0212 -2.0212 5.6651 5.6651 5.6678 5.6678 6.4245 6.4245 6.4257 6.4257 7.3513 7.3513 7.4163 7.4163 8.3242 8.3242 8.3354 8.3354 8.5633 8.5633 8.5735 8.5735 8.7758 8.7758 8.7880 8.7880 19.4128 19.4128 19.4198 19.4198 20.0247 20.0247 20.0333 20.0333 20.6996 20.6996 k = 0.4345 0.4021 0.3952 ( 2550 PWs) bands (ev): -20.7768 -20.7768 -20.7768 -20.7768 -12.3154 -12.3154 -12.3044 -12.3044 -10.4539 -10.4539 -10.4481 -10.4481 -3.7625 -3.7625 -3.5214 -3.5214 -2.7723 -2.7723 -2.6791 -2.6791 -2.1968 -2.1968 -2.0108 -2.0108 5.6425 5.6425 5.6454 5.6454 6.4133 6.4133 6.4140 6.4140 7.3795 7.3795 7.4486 7.4486 8.3317 8.3317 8.3426 8.3426 8.5580 8.5580 8.5683 8.5683 8.7827 8.7827 8.7961 8.7961 19.3974 19.3974 19.4044 19.4044 20.0466 20.0466 20.0553 20.0553 20.7071 20.7071 k = 0.4286 0.4124 0.3952 ( 2550 PWs) bands (ev): -20.7759 -20.7759 -20.7759 -20.7759 -12.3159 -12.3159 -12.3041 -12.3041 -10.4601 -10.4601 -10.4539 -10.4539 -3.7656 -3.7656 -3.5054 -3.5054 -2.7762 -2.7762 -2.6763 -2.6763 -2.2018 -2.2018 -2.0005 -2.0005 5.6191 5.6191 5.6221 5.6221 6.4023 6.4023 6.4049 6.4049 7.4070 7.4070 7.4799 7.4799 8.3400 8.3400 8.3503 8.3503 8.5522 8.5522 8.5625 8.5625 8.7904 8.7904 8.8047 8.8047 19.3823 19.3823 19.3891 19.3891 20.0691 20.0691 20.0779 20.0779 20.7149 20.7149 k = 0.4226 0.4227 0.3952 ( 2546 PWs) bands (ev): -20.7749 -20.7749 -20.7749 -20.7749 -12.3164 -12.3164 -12.3038 -12.3038 -10.4666 -10.4666 -10.4598 -10.4598 -3.7682 -3.7682 -3.4897 -3.4897 -2.7800 -2.7800 -2.6738 -2.6738 -2.2063 -2.2063 -1.9901 -1.9901 5.5952 5.5952 5.5982 5.5982 6.3925 6.3925 6.3971 6.3971 7.4334 7.4334 7.5100 7.5100 8.3488 8.3488 8.3584 8.3584 8.5459 8.5459 8.5563 8.5563 8.7987 8.7987 8.8137 8.8137 19.3675 19.3675 19.3741 19.3741 20.0921 20.0921 20.1010 20.1010 20.7230 20.7230 k = 0.4167 0.4330 0.3952 ( 2546 PWs) bands (ev): -20.7738 -20.7738 -20.7738 -20.7738 -12.3170 -12.3170 -12.3035 -12.3035 -10.4730 -10.4730 -10.4658 -10.4658 -3.7703 -3.7703 -3.4744 -3.4744 -2.7838 -2.7838 -2.6717 -2.6717 -2.2103 -2.2103 -1.9797 -1.9797 5.5712 5.5712 5.5741 5.5741 6.3841 6.3841 6.3905 6.3905 7.4586 7.4586 7.5385 7.5385 8.3582 8.3582 8.3669 8.3669 8.5392 8.5392 8.5496 8.5496 8.8075 8.8075 8.8231 8.8231 19.3533 19.3533 19.3596 19.3596 20.1154 20.1154 20.1244 20.1244 20.7312 20.7312 k = 0.4107 0.4433 0.3952 ( 2550 PWs) bands (ev): -20.7728 -20.7728 -20.7728 -20.7728 -12.3175 -12.3175 -12.3033 -12.3033 -10.4795 -10.4795 -10.4718 -10.4718 -3.7720 -3.7720 -3.4594 -3.4594 -2.7877 -2.7877 -2.6699 -2.6699 -2.2137 -2.2137 -1.9695 -1.9695 5.5474 5.5474 5.5502 5.5502 6.3770 6.3770 6.3852 6.3852 7.4822 7.4822 7.5652 7.5652 8.3679 8.3679 8.3757 8.3757 8.5322 8.5322 8.5427 8.5427 8.8166 8.8166 8.8326 8.8326 19.3397 19.3397 19.3457 19.3457 20.1390 20.1390 20.1480 20.1480 20.7393 20.7393 k = 0.4048 0.4536 0.3952 ( 2542 PWs) bands (ev): -20.7718 -20.7717 -20.7717 -20.7717 -12.3181 -12.3181 -12.3032 -12.3032 -10.4859 -10.4859 -10.4777 -10.4777 -3.7733 -3.7733 -3.4451 -3.4451 -2.7915 -2.7915 -2.6685 -2.6685 -2.2165 -2.2165 -1.9595 -1.9595 5.5241 5.5241 5.5267 5.5267 6.3711 6.3711 6.3810 6.3810 7.5043 7.5043 7.5901 7.5901 8.3778 8.3778 8.3848 8.3848 8.5250 8.5250 8.5357 8.5357 8.8258 8.8258 8.8422 8.8422 19.3268 19.3268 19.3325 19.3325 20.1627 20.1627 20.1718 20.1718 20.7473 20.7473 k = 0.3988 0.4639 0.3952 ( 2542 PWs) bands (ev): -20.7707 -20.7707 -20.7707 -20.7707 -12.3188 -12.3188 -12.3032 -12.3032 -10.4920 -10.4920 -10.4835 -10.4835 -3.7743 -3.7743 -3.4315 -3.4315 -2.7953 -2.7953 -2.6674 -2.6674 -2.2188 -2.2188 -1.9498 -1.9498 5.5016 5.5016 5.5039 5.5039 6.3663 6.3663 6.3777 6.3777 7.5245 7.5245 7.6131 7.6131 8.3876 8.3876 8.3938 8.3938 8.5178 8.5178 8.5288 8.5288 8.8352 8.8352 8.8518 8.8518 19.3148 19.3148 19.3201 19.3201 20.1864 20.1864 20.1956 20.1956 20.7547 20.7547 k = 0.3929 0.4743 0.3952 ( 2542 PWs) bands (ev): -20.7697 -20.7697 -20.7697 -20.7697 -12.3194 -12.3194 -12.3032 -12.3032 -10.4980 -10.4980 -10.4890 -10.4890 -3.7750 -3.7750 -3.4186 -3.4186 -2.7991 -2.7991 -2.6666 -2.6666 -2.2205 -2.2205 -1.9405 -1.9405 5.4802 5.4802 5.4823 5.4823 6.3625 6.3625 6.3753 6.3753 7.5431 7.5431 7.6340 7.6340 8.3972 8.3972 8.4028 8.4028 8.5107 8.5107 8.5221 8.5221 8.8444 8.8444 8.8611 8.8611 19.3036 19.3036 19.3086 19.3086 20.2100 20.2100 20.2194 20.2194 20.7613 20.7613 k = 0.3869 0.4846 0.3952 ( 2542 PWs) bands (ev): -20.7687 -20.7687 -20.7687 -20.7687 -12.3201 -12.3201 -12.3033 -12.3033 -10.5036 -10.5036 -10.4942 -10.4942 -3.7755 -3.7755 -3.4067 -3.4067 -2.8028 -2.8028 -2.6660 -2.6660 -2.2217 -2.2217 -1.9316 -1.9316 5.4601 5.4601 5.4619 5.4619 6.3595 6.3595 6.3737 6.3737 7.5597 7.5597 7.6528 7.6528 8.4063 8.4063 8.4115 8.4115 8.5037 8.5037 8.5157 8.5157 8.8533 8.8533 8.8702 8.8702 19.2934 19.2934 19.2980 19.2980 20.2332 20.2332 20.2430 20.2430 20.7668 20.7668 k = 0.3810 0.4949 0.3952 ( 2538 PWs) bands (ev): -20.7678 -20.7678 -20.7678 -20.7678 -12.3208 -12.3208 -12.3035 -12.3035 -10.5088 -10.5088 -10.4991 -10.4991 -3.7757 -3.7757 -3.3957 -3.3957 -2.8064 -2.8064 -2.6657 -2.6657 -2.2225 -2.2225 -1.9232 -1.9232 5.4415 5.4415 5.4430 5.4430 6.3573 6.3573 6.3726 6.3726 7.5746 7.5746 7.6695 7.6695 8.4146 8.4146 8.4198 8.4198 8.4970 8.4970 8.5099 8.5099 8.8619 8.8619 8.8787 8.8787 19.2843 19.2843 19.2885 19.2885 20.2560 20.2560 20.2662 20.2662 20.7708 20.7708 k = 0.3750 0.5052 0.3952 ( 2542 PWs) bands (ev): -20.7669 -20.7669 -20.7669 -20.7669 -12.3215 -12.3215 -12.3038 -12.3038 -10.5135 -10.5135 -10.5036 -10.5036 -3.7759 -3.7759 -3.3859 -3.3859 -2.8097 -2.8097 -2.6655 -2.6655 -2.2229 -2.2229 -1.9156 -1.9156 5.4247 5.4247 5.4259 5.4259 6.3558 6.3558 6.3721 6.3721 7.5877 7.5877 7.6842 7.6842 8.4221 8.4221 8.4275 8.4275 8.4908 8.4908 8.5047 8.5047 8.8699 8.8699 8.8867 8.8867 19.2761 19.2761 19.2800 19.2800 20.2781 20.2781 20.2888 20.2888 20.7732 20.7732 k = 0.3690 0.5155 0.3952 ( 2544 PWs) bands (ev): -20.7661 -20.7661 -20.7661 -20.7661 -12.3222 -12.3222 -12.3040 -12.3040 -10.5178 -10.5178 -10.5076 -10.5076 -3.7760 -3.7760 -3.3772 -3.3772 -2.8128 -2.8128 -2.6655 -2.6655 -2.2229 -2.2229 -1.9087 -1.9087 5.4097 5.4097 5.4106 5.4106 6.3548 6.3548 6.3719 6.3719 7.5990 7.5990 7.6969 7.6969 8.4283 8.4283 8.4346 8.4346 8.4850 8.4850 8.5004 8.5004 8.8772 8.8772 8.8941 8.8941 19.2690 19.2690 19.2727 19.2727 20.2991 20.2991 20.3105 20.3105 20.7735 20.7735 k = 0.3631 0.5258 0.3952 ( 2548 PWs) bands (ev): -20.7654 -20.7654 -20.7654 -20.7654 -12.3228 -12.3228 -12.3043 -12.3043 -10.5215 -10.5215 -10.5110 -10.5110 -3.7759 -3.7759 -3.3698 -3.3698 -2.8156 -2.8156 -2.6656 -2.6656 -2.2227 -2.2227 -1.9026 -1.9026 5.3968 5.3968 5.3975 5.3975 6.3542 6.3542 6.3721 6.3721 7.6085 7.6085 7.7076 7.7076 8.4333 8.4333 8.4407 8.4407 8.4799 8.4799 8.4970 8.4970 8.8837 8.8837 8.9005 8.9005 19.2631 19.2631 19.2664 19.2664 20.3188 20.3188 20.3310 20.3310 20.7718 20.7718 k = 0.3571 0.5361 0.3952 ( 2552 PWs) bands (ev): -20.7648 -20.7648 -20.7648 -20.7648 -12.3234 -12.3234 -12.3047 -12.3047 -10.5246 -10.5246 -10.5139 -10.5139 -3.7759 -3.7759 -3.3638 -3.3638 -2.8180 -2.8180 -2.6658 -2.6658 -2.2224 -2.2224 -1.8975 -1.8975 5.3861 5.3861 5.3866 5.3866 6.3539 6.3539 6.3724 6.3724 7.6163 7.6163 7.7163 7.7163 8.4370 8.4370 8.4460 8.4460 8.4754 8.4754 8.4946 8.4946 8.8893 8.8893 8.9061 8.9061 19.2582 19.2582 19.2613 19.2613 20.3366 20.3366 20.3497 20.3497 20.7681 20.7681 k = 0.3512 0.5464 0.3952 ( 2552 PWs) bands (ev): -20.7643 -20.7643 -20.7643 -20.7643 -12.3239 -12.3239 -12.3049 -12.3049 -10.5270 -10.5270 -10.5162 -10.5162 -3.7758 -3.7758 -3.3590 -3.3590 -2.8199 -2.8199 -2.6660 -2.6660 -2.2220 -2.2220 -1.8934 -1.8934 5.3776 5.3776 5.3780 5.3780 6.3538 6.3538 6.3728 6.3728 7.6224 7.6224 7.7231 7.7231 8.4394 8.4394 8.4502 8.4502 8.4717 8.4717 8.4931 8.4931 8.8938 8.8938 8.9106 8.9106 19.2545 19.2545 19.2574 19.2574 20.3518 20.3518 20.3660 20.3660 20.7630 20.7630 k = 0.3452 0.5567 0.3952 ( 2560 PWs) bands (ev): -20.7640 -20.7640 -20.7639 -20.7639 -12.3243 -12.3243 -12.3052 -12.3052 -10.5288 -10.5288 -10.5179 -10.5179 -3.7758 -3.7758 -3.3557 -3.3557 -2.8213 -2.8213 -2.6662 -2.6662 -2.2216 -2.2216 -1.8904 -1.8904 5.3715 5.3715 5.3717 5.3717 6.3539 6.3539 6.3731 6.3731 7.6267 7.6267 7.7280 7.7280 8.4408 8.4408 8.4535 8.4535 8.4687 8.4687 8.4922 8.4922 8.8971 8.8971 8.9139 8.9139 19.2518 19.2518 19.2546 19.2546 20.3637 20.3637 20.3790 20.3790 20.7575 20.7575 k = 0.3393 0.5670 0.3952 ( 2568 PWs) bands (ev): -20.7637 -20.7637 -20.7637 -20.7637 -12.3245 -12.3245 -12.3054 -12.3054 -10.5299 -10.5299 -10.5189 -10.5189 -3.7757 -3.7757 -3.3537 -3.3537 -2.8222 -2.8222 -2.6663 -2.6663 -2.2213 -2.2213 -1.8886 -1.8886 5.3678 5.3678 5.3679 5.3679 6.3539 6.3539 6.3734 6.3734 7.6294 7.6294 7.7309 7.7309 8.4415 8.4415 8.4556 8.4556 8.4667 8.4667 8.4918 8.4918 8.8992 8.8992 8.9159 8.9159 19.2503 19.2503 19.2530 19.2530 20.3715 20.3715 20.3875 20.3875 20.7530 20.7530 k = 0.3333 0.5774 0.3952 ( 2568 PWs) bands (ev): -20.7636 -20.7636 -20.7636 -20.7636 -12.3246 -12.3246 -12.3054 -12.3054 -10.5302 -10.5302 -10.5192 -10.5192 -3.7757 -3.7757 -3.3530 -3.3530 -2.8225 -2.8225 -2.6664 -2.6664 -2.2211 -2.2211 -1.8879 -1.8879 5.3666 5.3666 5.3667 5.3667 6.3540 6.3540 6.3735 6.3735 7.6303 7.6303 7.7319 7.7319 8.4417 8.4417 8.4564 8.4564 8.4659 8.4659 8.4917 8.4917 8.8999 8.8999 8.9166 8.9166 19.2497 19.2497 19.2524 19.2524 20.3742 20.3742 20.3906 20.3906 20.7512 20.7512 k = 0.3333 0.5774 0.3952 ( 2568 PWs) bands (ev): -20.7636 -20.7636 -20.7636 -20.7636 -12.3246 -12.3246 -12.3054 -12.3054 -10.5302 -10.5302 -10.5192 -10.5192 -3.7757 -3.7757 -3.3530 -3.3530 -2.8225 -2.8225 -2.6664 -2.6664 -2.2211 -2.2211 -1.8879 -1.8879 5.3666 5.3666 5.3667 5.3667 6.3540 6.3540 6.3735 6.3735 7.6303 7.6303 7.7319 7.7319 8.4417 8.4417 8.4564 8.4564 8.4659 8.4659 8.4917 8.4917 8.8999 8.8999 8.9166 8.9166 19.2497 19.2497 19.2524 19.2524 20.3742 20.3742 20.3906 20.3906 20.7512 20.7512 k = 0.3273 0.5669 0.3952 ( 2560 PWs) bands (ev): -20.7637 -20.7637 -20.7637 -20.7637 -12.3245 -12.3245 -12.3053 -12.3053 -10.5298 -10.5298 -10.5189 -10.5189 -3.7757 -3.7757 -3.3537 -3.3537 -2.8222 -2.8222 -2.6663 -2.6663 -2.2213 -2.2213 -1.8886 -1.8886 5.3679 5.3679 5.3680 5.3680 6.3539 6.3539 6.3734 6.3734 7.6293 7.6293 7.7308 7.7308 8.4415 8.4415 8.4556 8.4556 8.4668 8.4668 8.4919 8.4919 8.8991 8.8991 8.9159 8.9159 19.2503 19.2503 19.2530 19.2530 20.3712 20.3712 20.3872 20.3872 20.7536 20.7536 k = 0.3212 0.5564 0.3952 ( 2558 PWs) bands (ev): -20.7640 -20.7640 -20.7640 -20.7640 -12.3242 -12.3242 -12.3051 -12.3051 -10.5287 -10.5287 -10.5178 -10.5178 -3.7758 -3.7758 -3.3556 -3.3556 -2.8213 -2.8213 -2.6661 -2.6661 -2.2218 -2.2218 -1.8906 -1.8906 5.3717 5.3717 5.3719 5.3719 6.3537 6.3537 6.3729 6.3729 7.6265 7.6265 7.7276 7.7276 8.4409 8.4409 8.4533 8.4533 8.4692 8.4692 8.4924 8.4924 8.8968 8.8968 8.9136 8.9136 19.2518 19.2518 19.2546 19.2546 20.3621 20.3621 20.3771 20.3771 20.7612 20.7612 k = 0.3152 0.5459 0.3952 ( 2554 PWs) bands (ev): -20.7644 -20.7644 -20.7644 -20.7644 -12.3235 -12.3235 -12.3046 -12.3046 -10.5269 -10.5269 -10.5161 -10.5161 -3.7758 -3.7758 -3.3588 -3.3588 -2.8198 -2.8198 -2.6657 -2.6657 -2.2227 -2.2227 -1.8940 -1.8940 5.3782 5.3782 5.3785 5.3785 6.3532 6.3532 6.3721 6.3721 7.6216 7.6216 7.7222 7.7222 8.4396 8.4396 8.4499 8.4499 8.4729 8.4729 8.4937 8.4937 8.8930 8.8930 8.9097 8.9097 19.2542 19.2542 19.2572 19.2572 20.3471 20.3471 20.3607 20.3607 20.7744 20.7744 k = 0.3091 0.5354 0.3952 ( 2554 PWs) bands (ev): -20.7651 -20.7651 -20.7651 -20.7651 -12.3226 -12.3226 -12.3039 -12.3039 -10.5243 -10.5243 -10.5136 -10.5136 -3.7759 -3.7759 -3.3630 -3.3630 -2.8178 -2.8178 -2.6652 -2.6652 -2.2241 -2.2241 -1.8988 -1.8988 5.3871 5.3871 5.3875 5.3875 6.3523 6.3523 6.3709 6.3709 7.6146 7.6146 7.7144 7.7144 8.4376 8.4376 8.4456 8.4456 8.4779 8.4779 8.4961 8.4961 8.8875 8.8875 8.9043 8.9043 19.2575 19.2575 19.2607 19.2607 20.3271 20.3271 20.3392 20.3392 20.7927 20.7927 k = 0.3030 0.5249 0.3952 ( 2550 PWs) bands (ev): -20.7659 -20.7659 -20.7659 -20.7659 -12.3213 -12.3213 -12.3028 -12.3028 -10.5210 -10.5210 -10.5105 -10.5105 -3.7760 -3.7760 -3.3683 -3.3683 -2.8153 -2.8153 -2.6645 -2.6645 -2.2260 -2.2260 -1.9051 -1.9051 5.3985 5.3985 5.3991 5.3991 6.3512 6.3512 6.3692 6.3692 7.6055 7.6055 7.7042 7.7042 8.4345 8.4345 8.4405 8.4405 8.4842 8.4842 8.4999 8.4999 8.8805 8.8805 8.8972 8.8972 19.2616 19.2616 19.2650 19.2650 20.3030 20.3030 20.3137 20.3137 20.8156 20.8156 k = 0.2970 0.5144 0.3952 ( 2550 PWs) bands (ev): -20.7670 -20.7670 -20.7670 -20.7670 -12.3196 -12.3196 -12.3014 -12.3014 -10.5170 -10.5170 -10.5067 -10.5067 -3.7761 -3.7761 -3.3744 -3.3744 -2.8124 -2.8124 -2.6635 -2.6635 -2.2285 -2.2285 -1.9127 -1.9127 5.4123 5.4123 5.4130 5.4130 6.3497 6.3497 6.3671 6.3671 7.5940 7.5940 7.6914 7.6914 8.4302 8.4302 8.4347 8.4347 8.4919 8.4919 8.5053 8.5053 8.8720 8.8720 8.8887 8.8887 19.2664 19.2664 19.2702 19.2702 20.2760 20.2760 20.2855 20.2855 20.8424 20.8424 k = 0.2909 0.5039 0.3952 ( 2548 PWs) bands (ev): -20.7683 -20.7683 -20.7683 -20.7683 -12.3175 -12.3175 -12.2997 -12.2997 -10.5123 -10.5123 -10.5023 -10.5023 -3.7761 -3.7761 -3.3813 -3.3813 -2.8092 -2.8092 -2.6624 -2.6624 -2.2315 -2.2315 -1.9217 -1.9217 5.4283 5.4283 5.4293 5.4293 6.3478 6.3478 6.3645 6.3645 7.5801 7.5801 7.6759 7.6759 8.4248 8.4248 8.4281 8.4281 8.5009 8.5009 8.5124 8.5124 8.8621 8.8621 8.8787 8.8787 19.2718 19.2718 19.2759 19.2759 20.2470 20.2470 20.2555 20.2555 20.8725 20.8725 k = 0.2848 0.4934 0.3952 ( 2544 PWs) bands (ev): -20.7698 -20.7698 -20.7698 -20.7698 -12.3150 -12.3150 -12.2975 -12.2975 -10.5070 -10.5070 -10.4973 -10.4973 -3.7761 -3.7761 -3.3889 -3.3889 -2.8056 -2.8056 -2.6611 -2.6611 -2.2351 -2.2351 -1.9321 -1.9321 5.4466 5.4466 5.4478 5.4478 6.3455 6.3455 6.3614 6.3614 7.5638 7.5638 7.6576 7.6576 8.4183 8.4183 8.4209 8.4209 8.5113 8.5113 8.5212 8.5212 8.8510 8.8510 8.8674 8.8674 19.2777 19.2777 19.2823 19.2823 20.2169 20.2169 20.2247 20.2247 20.9056 20.9056 k = 0.2788 0.4829 0.3952 ( 2544 PWs) bands (ev): -20.7715 -20.7715 -20.7715 -20.7715 -12.3119 -12.3119 -12.2949 -12.2949 -10.5011 -10.5011 -10.4917 -10.4917 -3.7759 -3.7759 -3.3970 -3.3970 -2.8018 -2.8018 -2.6596 -2.6596 -2.2394 -2.2394 -1.9437 -1.9437 5.4670 5.4670 5.4684 5.4684 6.3428 6.3428 6.3579 6.3579 7.5449 7.5449 7.6365 7.6365 8.4109 8.4109 8.4130 8.4130 8.5231 8.5231 8.5315 8.5315 8.8387 8.8387 8.8550 8.8550 19.2841 19.2841 19.2892 19.2892 20.1862 20.1862 20.1937 20.1937 20.9412 20.9412 k = 0.2727 0.4724 0.3952 ( 2544 PWs) bands (ev): -20.7735 -20.7735 -20.7735 -20.7735 -12.3084 -12.3084 -12.2918 -12.2918 -10.4947 -10.4947 -10.4856 -10.4856 -3.7757 -3.7757 -3.4055 -3.4055 -2.7979 -2.7979 -2.6578 -2.6578 -2.2442 -2.2442 -1.9567 -1.9567 5.4893 5.4893 5.4908 5.4908 6.3397 6.3397 6.3539 6.3539 7.5234 7.5234 7.6126 7.6126 8.4025 8.4025 8.4045 8.4045 8.5362 8.5362 8.5433 8.5433 8.8256 8.8256 8.8416 8.8416 19.2909 19.2909 19.2965 19.2965 20.1556 20.1556 20.1628 20.1628 20.9792 20.9792 k = 0.2667 0.4619 0.3952 ( 2540 PWs) bands (ev): -20.7757 -20.7757 -20.7757 -20.7757 -12.3042 -12.3042 -12.2882 -12.2882 -10.4878 -10.4878 -10.4790 -10.4790 -3.7753 -3.7753 -3.4144 -3.4144 -2.7938 -2.7938 -2.6560 -2.6560 -2.2495 -2.2495 -1.9709 -1.9709 5.5135 5.5135 5.5151 5.5151 6.3362 6.3362 6.3494 6.3494 7.4993 7.4993 7.5857 7.5857 8.3932 8.3932 8.3953 8.3953 8.5505 8.5505 8.5565 8.5565 8.8118 8.8118 8.8276 8.8276 19.2980 19.2980 19.3041 19.3041 20.1254 20.1254 20.1326 20.1326 21.0194 21.0194 k = 0.2606 0.4514 0.3952 ( 2540 PWs) bands (ev): -20.7781 -20.7781 -20.7781 -20.7781 -12.2996 -12.2996 -12.2840 -12.2840 -10.4804 -10.4804 -10.4719 -10.4719 -3.7747 -3.7747 -3.4235 -3.4235 -2.7896 -2.7896 -2.6539 -2.6539 -2.2554 -2.2554 -1.9862 -1.9862 5.5393 5.5393 5.5410 5.5410 6.3324 6.3324 6.3446 6.3446 7.4726 7.4726 7.5559 7.5559 8.3829 8.3829 8.3853 8.3853 8.5660 8.5660 8.5708 8.5708 8.7977 8.7977 8.8132 8.8132 19.3054 19.3054 19.3120 19.3120 20.0959 20.0959 20.1032 20.1032 21.0617 21.0617 k = 0.2545 0.4409 0.3952 ( 2540 PWs) bands (ev): -20.7808 -20.7808 -20.7807 -20.7807 -12.2943 -12.2943 -12.2793 -12.2793 -10.4725 -10.4725 -10.4645 -10.4645 -3.7739 -3.7739 -3.4328 -3.4328 -2.7855 -2.7855 -2.6517 -2.6517 -2.2618 -2.2618 -2.0026 -2.0026 5.5665 5.5665 5.5682 5.5682 6.3282 6.3282 6.3394 6.3394 7.4433 7.4433 7.5234 7.5234 8.3717 8.3717 8.3743 8.3743 8.5824 8.5824 8.5862 8.5862 8.7836 8.7836 8.7988 8.7988 19.3129 19.3129 19.3202 19.3202 20.0675 20.0675 20.0748 20.0748 21.1058 21.1058 k = 0.2485 0.4304 0.3952 ( 2544 PWs) bands (ev): -20.7836 -20.7836 -20.7836 -20.7836 -12.2884 -12.2884 -12.2740 -12.2740 -10.4643 -10.4643 -10.4567 -10.4567 -3.7729 -3.7729 -3.4422 -3.4422 -2.7813 -2.7813 -2.6494 -2.6494 -2.2686 -2.2686 -2.0200 -2.0200 5.5951 5.5951 5.5967 5.5967 6.3238 6.3238 6.3339 6.3339 7.4116 7.4116 7.4882 7.4882 8.3593 8.3593 8.3623 8.3623 8.5998 8.5998 8.6024 8.6024 8.7698 8.7698 8.7848 8.7848 19.3206 19.3206 19.3284 19.3284 20.0402 20.0402 20.0478 20.0478 21.1517 21.1517 k = 0.2424 0.4199 0.3952 ( 2540 PWs) bands (ev): -20.7867 -20.7867 -20.7867 -20.7867 -12.2819 -12.2819 -12.2680 -12.2680 -10.4558 -10.4558 -10.4485 -10.4485 -3.7717 -3.7717 -3.4517 -3.4517 -2.7772 -2.7772 -2.6470 -2.6470 -2.2759 -2.2759 -2.0383 -2.0383 5.6247 5.6247 5.6262 5.6262 6.3190 6.3190 6.3280 6.3280 7.3775 7.3775 7.4504 7.4504 8.3457 8.3457 8.3492 8.3492 8.6177 8.6177 8.6192 8.6192 8.7570 8.7570 8.7717 8.7717 19.3284 19.3284 19.3368 19.3368 20.0143 20.0143 20.0221 20.0221 21.1993 21.1993 k = 0.2364 0.4094 0.3952 ( 2540 PWs) bands (ev): -20.7900 -20.7900 -20.7900 -20.7900 -12.2748 -12.2748 -12.2615 -12.2615 -10.4470 -10.4470 -10.4401 -10.4401 -3.7702 -3.7702 -3.4611 -3.4611 -2.7731 -2.7731 -2.6445 -2.6445 -2.2835 -2.2835 -2.0574 -2.0574 5.6552 5.6552 5.6565 5.6565 6.3140 6.3140 6.3220 6.3220 7.3412 7.3412 7.4103 7.4103 8.3309 8.3309 8.3347 8.3347 8.6361 8.6361 8.6363 8.6363 8.7453 8.7453 8.7599 8.7599 19.3363 19.3363 19.3453 19.3453 19.9897 19.9897 19.9978 19.9978 21.2483 21.2483 k = 0.2303 0.3989 0.3952 ( 2540 PWs) bands (ev): -20.7935 -20.7935 -20.7935 -20.7935 -12.2671 -12.2671 -12.2544 -12.2544 -10.4379 -10.4379 -10.4314 -10.4314 -3.7684 -3.7684 -3.4705 -3.4705 -2.7691 -2.7691 -2.6419 -2.6419 -2.2914 -2.2914 -2.0772 -2.0772 5.6863 5.6863 5.6873 5.6873 6.3088 6.3088 6.3157 6.3157 7.3028 7.3028 7.3679 7.3679 8.3146 8.3146 8.3189 8.3189 8.6531 8.6531 8.6542 8.6542 8.7357 8.7357 8.7501 8.7501 19.3443 19.3443 19.3538 19.3538 19.9666 19.9666 19.9750 19.9750 21.2986 21.2986 k = 0.2242 0.3884 0.3952 ( 2544 PWs) bands (ev): -20.7973 -20.7973 -20.7972 -20.7972 -12.2587 -12.2587 -12.2467 -12.2467 -10.4287 -10.4287 -10.4226 -10.4226 -3.7663 -3.7663 -3.4798 -3.4798 -2.7652 -2.7652 -2.6392 -2.6392 -2.2997 -2.2997 -2.0977 -2.0977 5.7179 5.7179 5.7184 5.7184 6.3034 6.3034 6.3092 6.3092 7.2626 7.2626 7.3235 7.3235 8.2971 8.2971 8.3017 8.3017 8.6685 8.6685 8.6710 8.6710 8.7292 8.7292 8.7436 8.7436 19.3524 19.3524 19.3624 19.3624 19.9450 19.9450 19.9537 19.9537 21.3499 21.3499 k = 0.2182 0.3779 0.3952 ( 2548 PWs) bands (ev): -20.8012 -20.8012 -20.8012 -20.8012 -12.2498 -12.2498 -12.2383 -12.2383 -10.4193 -10.4193 -10.4136 -10.4136 -3.7639 -3.7639 -3.4890 -3.4890 -2.7613 -2.7613 -2.6365 -2.6365 -2.3081 -2.3081 -2.1188 -2.1188 5.7496 5.7496 5.7496 5.7496 6.2977 6.2977 6.3026 6.3026 7.2207 7.2207 7.2773 7.2773 8.2782 8.2782 8.2832 8.2832 8.6807 8.6807 8.6840 8.6840 8.7284 8.7284 8.7422 8.7422 19.3605 19.3605 19.3711 19.3711 19.9250 19.9250 19.9340 19.9340 21.4020 21.4020 k = 0.2121 0.3674 0.3952 ( 2556 PWs) bands (ev): -20.8052 -20.8052 -20.8052 -20.8052 -12.2402 -12.2402 -12.2294 -12.2294 -10.4099 -10.4099 -10.4045 -10.4045 -3.7612 -3.7612 -3.4980 -3.4980 -2.7576 -2.7576 -2.6338 -2.6338 -2.3168 -2.3168 -2.1402 -2.1402 5.7805 5.7805 5.7812 5.7812 6.2918 6.2918 6.2959 6.2959 7.1774 7.1774 7.2295 7.2295 8.2582 8.2582 8.2635 8.2635 8.6878 8.6878 8.6897 8.6897 8.7366 8.7366 8.7477 8.7477 19.3687 19.3687 19.3797 19.3797 19.9065 19.9065 19.9158 19.9158 21.4546 21.4546 k = 0.2061 0.3569 0.3952 ( 2554 PWs) bands (ev): -20.8095 -20.8095 -20.8095 -20.8095 -12.2300 -12.2300 -12.2198 -12.2198 -10.4003 -10.4003 -10.3953 -10.3953 -3.7583 -3.7583 -3.5069 -3.5069 -2.7538 -2.7538 -2.6311 -2.6311 -2.3255 -2.3255 -2.1620 -2.1620 5.8110 5.8110 5.8124 5.8124 6.2858 6.2858 6.2891 6.2891 7.1328 7.1328 7.1803 7.1803 8.2373 8.2373 8.2430 8.2430 8.6903 8.6903 8.6903 8.6903 8.7517 8.7517 8.7596 8.7596 19.3771 19.3771 19.3885 19.3885 19.8896 19.8896 19.8992 19.8992 21.5072 21.5072 k = 0.2000 0.3464 0.3952 ( 2558 PWs) bands (ev): -20.8139 -20.8139 -20.8139 -20.8139 -12.2193 -12.2193 -12.2097 -12.2097 -10.3907 -10.3907 -10.3861 -10.3861 -3.7550 -3.7550 -3.5157 -3.5157 -2.7501 -2.7501 -2.6283 -2.6283 -2.3344 -2.3344 -2.1841 -2.1841 5.8407 5.8407 5.8429 5.8429 6.2795 6.2795 6.2822 6.2822 7.0873 7.0873 7.1301 7.1301 8.2159 8.2159 8.2219 8.2219 8.6895 8.6895 8.6906 8.6906 8.7695 8.7695 8.7752 8.7752 19.3855 19.3855 19.3974 19.3974 19.8741 19.8741 19.8841 19.8841 21.5596 21.5596 k = 0.1939 0.3359 0.3952 ( 2558 PWs) bands (ev): -20.8184 -20.8184 -20.8184 -20.8184 -12.2081 -12.2081 -12.1991 -12.1991 -10.3812 -10.3812 -10.3769 -10.3769 -3.7515 -3.7515 -3.5243 -3.5243 -2.7465 -2.7465 -2.6257 -2.6257 -2.3433 -2.3433 -2.2062 -2.2062 5.8694 5.8694 5.8724 5.8724 6.2730 6.2730 6.2753 6.2753 7.0410 7.0410 7.0790 7.0790 8.1942 8.1942 8.2006 8.2006 8.6891 8.6891 8.6907 8.6907 8.7882 8.7882 8.7923 8.7923 19.3941 19.3941 19.4063 19.4063 19.8602 19.8602 19.8704 19.8704 21.6111 21.6111 k = 0.1879 0.3254 0.3952 ( 2558 PWs) bands (ev): -20.8231 -20.8231 -20.8231 -20.8231 -12.1963 -12.1963 -12.1879 -12.1879 -10.3717 -10.3717 -10.3678 -10.3678 -3.7477 -3.7477 -3.5327 -3.5327 -2.7428 -2.7428 -2.6230 -2.6230 -2.3522 -2.3522 -2.2284 -2.2284 5.8968 5.8968 5.9006 5.9006 6.2662 6.2662 6.2683 6.2683 6.9943 6.9943 7.0273 7.0273 8.1727 8.1727 8.1795 8.1795 8.6896 8.6896 8.6913 8.6913 8.8070 8.8070 8.8100 8.8100 19.4029 19.4029 19.4155 19.4155 19.8476 19.8476 19.8581 19.8581 21.6611 21.6611 k = 0.1818 0.3149 0.3952 ( 2558 PWs) bands (ev): -20.8278 -20.8278 -20.8278 -20.8278 -12.1841 -12.1841 -12.1763 -12.1763 -10.3623 -10.3623 -10.3587 -10.3587 -3.7437 -3.7437 -3.5409 -3.5409 -2.7391 -2.7391 -2.6204 -2.6204 -2.3611 -2.3611 -2.2504 -2.2504 5.9226 5.9226 5.9272 5.9272 6.2590 6.2590 6.2614 6.2614 6.9474 6.9474 6.9753 6.9753 8.1519 8.1519 8.1589 8.1589 8.6912 8.6912 8.6928 8.6928 8.8253 8.8253 8.8276 8.8276 19.4119 19.4119 19.4248 19.4248 19.8364 19.8364 19.8471 19.8471 21.7091 21.7091 k = 0.1758 0.3044 0.3952 ( 2554 PWs) bands (ev): -20.8327 -20.8327 -20.8327 -20.8327 -12.1714 -12.1714 -12.1642 -12.1642 -10.3530 -10.3530 -10.3498 -10.3498 -3.7395 -3.7395 -3.5490 -3.5490 -2.7353 -2.7353 -2.6179 -2.6179 -2.3700 -2.3700 -2.2723 -2.2723 5.9465 5.9465 5.9518 5.9518 6.2514 6.2514 6.2545 6.2545 6.9006 6.9006 6.9233 6.9233 8.1321 8.1321 8.1394 8.1394 8.6938 8.6938 8.6953 8.6953 8.8431 8.8431 8.8447 8.8447 19.4212 19.4212 19.4343 19.4343 19.8265 19.8265 19.8374 19.8374 21.7541 21.7541 k = 0.1697 0.2939 0.3952 ( 2546 PWs) bands (ev): -20.8376 -20.8376 -20.8376 -20.8376 -12.1584 -12.1584 -12.1517 -12.1517 -10.3439 -10.3439 -10.3409 -10.3409 -3.7352 -3.7352 -3.5569 -3.5569 -2.7314 -2.7314 -2.6155 -2.6155 -2.3788 -2.3788 -2.2938 -2.2938 5.9682 5.9682 5.9741 5.9741 6.2433 6.2433 6.2475 6.2475 6.8542 6.8542 6.8716 6.8716 8.1138 8.1138 8.1214 8.1214 8.6973 8.6973 8.6987 8.6987 8.8601 8.8601 8.8613 8.8613 19.4308 19.4308 19.4440 19.4440 19.8177 19.8177 19.8288 19.8288 21.7946 21.7946 k = 0.1636 0.2834 0.3952 ( 2550 PWs) bands (ev): -20.8426 -20.8426 -20.8426 -20.8426 -12.1451 -12.1451 -12.1389 -12.1389 -10.3350 -10.3350 -10.3323 -10.3323 -3.7307 -3.7307 -3.5647 -3.5647 -2.7275 -2.7275 -2.6132 -2.6132 -2.3875 -2.3875 -2.3150 -2.3150 5.9877 5.9877 5.9938 5.9938 6.2346 6.2346 6.2406 6.2406 6.8085 6.8085 6.8205 6.8205 8.0974 8.0974 8.1051 8.1051 8.7018 8.7018 8.7030 8.7030 8.8762 8.8762 8.8770 8.8770 19.4407 19.4407 19.4540 19.4540 19.8101 19.8101 19.8214 19.8214 21.8257 21.8257 k = 0.1576 0.2729 0.3952 ( 2550 PWs) bands (ev): -20.8476 -20.8476 -20.8476 -20.8476 -12.1314 -12.1314 -12.1258 -12.1258 -10.3262 -10.3262 -10.3238 -10.3238 -3.7262 -3.7262 -3.5723 -3.5723 -2.7234 -2.7234 -2.6111 -2.6111 -2.3961 -2.3961 -2.3356 -2.3356 6.0046 6.0046 6.0105 6.0105 6.2251 6.2251 6.2336 6.2336 6.7637 6.7637 6.7703 6.7703 8.0832 8.0832 8.0910 8.0910 8.7070 8.7070 8.7081 8.7081 8.8912 8.8912 8.8917 8.8917 19.4509 19.4509 19.4644 19.4644 19.8034 19.8034 19.8148 19.8148 21.8527 21.8527 k = 0.1515 0.2624 0.3952 ( 2552 PWs) bands (ev): -20.8526 -20.8526 -20.8526 -20.8526 -12.1175 -12.1175 -12.1125 -12.1125 -10.3177 -10.3177 -10.3156 -10.3156 -3.7217 -3.7217 -3.5797 -3.5797 -2.7192 -2.7192 -2.6091 -2.6091 -2.4046 -2.4046 -2.3555 -2.3555 6.0187 6.0187 6.0240 6.0240 6.2147 6.2147 6.2265 6.2265 6.7203 6.7203 6.7214 6.7214 8.0716 8.0716 8.0793 8.0793 8.7129 8.7129 8.7138 8.7138 8.9051 8.9051 8.9053 8.9053 19.4615 19.4615 19.4750 19.4750 19.7977 19.7977 19.8092 19.8092 21.8755 21.8755 k = 0.1455 0.2519 0.3952 ( 2552 PWs) bands (ev): -20.8576 -20.8576 -20.8576 -20.8576 -12.1035 -12.1035 -12.0989 -12.0989 -10.3094 -10.3094 -10.3075 -10.3075 -3.7171 -3.7171 -3.5870 -3.5870 -2.7148 -2.7148 -2.6073 -2.6073 -2.4129 -2.4129 -2.3747 -2.3747 6.0300 6.0300 6.0341 6.0341 6.2033 6.2033 6.2191 6.2191 6.6744 6.6744 6.6786 6.6786 8.0627 8.0627 8.0704 8.0704 8.7193 8.7193 8.7202 8.7202 8.9177 8.9177 8.9177 8.9177 19.4725 19.4725 19.4860 19.4860 19.7927 19.7927 19.8043 19.8043 21.8941 21.8941 k = 0.1394 0.2414 0.3952 ( 2552 PWs) bands (ev): -20.8626 -20.8626 -20.8626 -20.8626 -12.0893 -12.0893 -12.0852 -12.0852 -10.3014 -10.3014 -10.2997 -10.2997 -3.7127 -3.7127 -3.5941 -3.5941 -2.7103 -2.7103 -2.6059 -2.6059 -2.4211 -2.4211 -2.3930 -2.3930 6.0382 6.0382 6.0406 6.0406 6.1907 6.1907 6.2110 6.2110 6.6295 6.6295 6.6388 6.6388 8.0569 8.0569 8.0643 8.0643 8.7263 8.7263 8.7270 8.7270 8.9288 8.9288 8.9290 8.9290 19.4839 19.4839 19.4973 19.4973 19.7885 19.7885 19.8001 19.8001 21.9085 21.9085 k = 0.1333 0.2309 0.3952 ( 2548 PWs) bands (ev): -20.8676 -20.8676 -20.8676 -20.8676 -12.0751 -12.0751 -12.0714 -12.0714 -10.2937 -10.2937 -10.2922 -10.2922 -3.7083 -3.7083 -3.6010 -3.6010 -2.7057 -2.7057 -2.6047 -2.6047 -2.4290 -2.4290 -2.4102 -2.4102 6.0434 6.0434 6.0436 6.0436 6.1768 6.1768 6.2020 6.2020 6.5876 6.5876 6.6014 6.6014 8.0542 8.0542 8.0613 8.0613 8.7336 8.7336 8.7343 8.7343 8.9386 8.9386 8.9389 8.9389 19.4957 19.4957 19.5091 19.5091 19.7849 19.7849 19.7965 19.7965 21.9185 21.9185 k = 0.1273 0.2204 0.3952 ( 2550 PWs) bands (ev): -20.8725 -20.8725 -20.8725 -20.8725 -12.0609 -12.0609 -12.0576 -12.0576 -10.2863 -10.2863 -10.2850 -10.2850 -3.7041 -3.7041 -3.6078 -3.6078 -2.7010 -2.7010 -2.6039 -2.6039 -2.4367 -2.4367 -2.4263 -2.4263 6.0432 6.0432 6.0455 6.0455 6.1616 6.1616 6.1914 6.1914 6.5490 6.5490 6.5667 6.5667 8.0547 8.0547 8.0614 8.0614 8.7412 8.7412 8.7419 8.7419 8.9470 8.9470 8.9474 8.9474 19.5080 19.5080 19.5212 19.5212 19.7817 19.7817 19.7933 19.7933 21.9240 21.9240 k = 0.1212 0.2099 0.3952 ( 2550 PWs) bands (ev): -20.8773 -20.8773 -20.8773 -20.8773 -12.0468 -12.0468 -12.0439 -12.0439 -10.2792 -10.2792 -10.2781 -10.2781 -3.7002 -3.7002 -3.6143 -3.6143 -2.6962 -2.6962 -2.6037 -2.6037 -2.4442 -2.4442 -2.4411 -2.4411 6.0397 6.0397 6.0445 6.0445 6.1451 6.1451 6.1786 6.1786 6.5144 6.5144 6.5350 6.5350 8.0584 8.0584 8.0645 8.0645 8.7491 8.7491 8.7497 8.7497 8.9540 8.9540 8.9544 8.9544 19.5207 19.5207 19.5336 19.5336 19.7790 19.7790 19.7905 19.7905 21.9251 21.9251 k = 0.1152 0.1994 0.3952 ( 2546 PWs) bands (ev): -20.8821 -20.8821 -20.8821 -20.8821 -12.0328 -12.0328 -12.0303 -12.0303 -10.2724 -10.2724 -10.2714 -10.2714 -3.6964 -3.6964 -3.6207 -3.6207 -2.6914 -2.6914 -2.6040 -2.6040 -2.4544 -2.4544 -2.4513 -2.4513 6.0334 6.0334 6.0405 6.0405 6.1272 6.1272 6.1633 6.1633 6.4842 6.4842 6.5064 6.5064 8.0651 8.0651 8.0707 8.0707 8.7570 8.7570 8.7576 8.7576 8.9595 8.9595 8.9600 8.9600 19.5337 19.5337 19.5464 19.5464 19.7766 19.7766 19.7879 19.7879 21.9222 21.9222 k = 0.1091 0.1890 0.3952 ( 2546 PWs) bands (ev): -20.8867 -20.8867 -20.8867 -20.8867 -12.0191 -12.0191 -12.0169 -12.0169 -10.2659 -10.2659 -10.2651 -10.2651 -3.6930 -3.6930 -3.6268 -3.6268 -2.6865 -2.6865 -2.6049 -2.6049 -2.4662 -2.4662 -2.4582 -2.4582 6.0247 6.0247 6.0335 6.0335 6.1082 6.1082 6.1451 6.1451 6.4586 6.4586 6.4812 6.4812 8.0747 8.0747 8.0797 8.0797 8.7650 8.7650 8.7656 8.7656 8.9636 8.9636 8.9641 8.9641 19.5472 19.5472 19.5595 19.5595 19.7744 19.7744 19.7855 19.7855 21.9157 21.9157 k = 0.1030 0.1785 0.3952 ( 2560 PWs) bands (ev): -20.8912 -20.8912 -20.8912 -20.8912 -12.0056 -12.0056 -12.0037 -12.0037 -10.2598 -10.2598 -10.2591 -10.2591 -3.6900 -3.6900 -3.6326 -3.6326 -2.6818 -2.6818 -2.6066 -2.6066 -2.4763 -2.4763 -2.4647 -2.4647 6.0140 6.0140 6.0237 6.0237 6.0882 6.0882 6.1242 6.1242 6.4376 6.4376 6.4592 6.4592 8.0869 8.0869 8.0914 8.0914 8.7730 8.7730 8.7735 8.7735 8.9662 8.9662 8.9667 8.9667 19.5609 19.5609 19.5728 19.5728 19.7724 19.7724 19.7833 19.7833 21.9063 21.9063 k = 0.0970 0.1680 0.3952 ( 2552 PWs) bands (ev): -20.8955 -20.8955 -20.8955 -20.8955 -11.9924 -11.9924 -11.9909 -11.9909 -10.2540 -10.2540 -10.2534 -10.2534 -3.6872 -3.6872 -3.6382 -3.6382 -2.6772 -2.6772 -2.6090 -2.6090 -2.4846 -2.4846 -2.4708 -2.4708 6.0017 6.0017 6.0115 6.0115 6.0677 6.0677 6.1009 6.1009 6.4207 6.4207 6.4403 6.4403 8.1016 8.1016 8.1055 8.1055 8.7808 8.7808 8.7814 8.7814 8.9674 8.9674 8.9679 8.9679 19.5749 19.5749 19.5864 19.5864 19.7706 19.7706 19.7811 19.7811 21.8950 21.8950 k = 0.0909 0.1575 0.3952 ( 2556 PWs) bands (ev): -20.8996 -20.8996 -20.8996 -20.8996 -11.9797 -11.9797 -11.9784 -11.9784 -10.2486 -10.2486 -10.2481 -10.2481 -3.6848 -3.6848 -3.6435 -3.6435 -2.6728 -2.6728 -2.6121 -2.6121 -2.4914 -2.4914 -2.4765 -2.4765 5.9879 5.9879 5.9971 5.9971 6.0468 6.0468 6.0761 6.0761 6.4074 6.4074 6.4244 6.4244 8.1184 8.1184 8.1218 8.1218 8.7885 8.7885 8.7890 8.7890 8.9672 8.9672 8.9678 8.9678 19.5891 19.5891 19.6001 19.6001 19.7688 19.7688 19.7790 19.7790 21.8826 21.8826 k = 0.0848 0.1470 0.3952 ( 2552 PWs) bands (ev): -20.9036 -20.9036 -20.9036 -20.9036 -11.9675 -11.9675 -11.9664 -11.9664 -10.2435 -10.2435 -10.2431 -10.2431 -3.6828 -3.6828 -3.6485 -3.6485 -2.6686 -2.6686 -2.6157 -2.6157 -2.4965 -2.4965 -2.4817 -2.4817 5.9731 5.9731 5.9809 5.9809 6.0259 6.0259 6.0505 6.0505 6.3969 6.3969 6.4112 6.4112 8.1371 8.1371 8.1399 8.1399 8.7958 8.7958 8.7963 8.7963 8.9658 8.9658 8.9664 8.9664 19.6035 19.6035 19.6139 19.6139 19.7672 19.7672 19.7769 19.7769 21.8697 21.8697 k = 0.0788 0.1365 0.3952 ( 2544 PWs) bands (ev): -20.9074 -20.9074 -20.9074 -20.9074 -11.9557 -11.9557 -11.9549 -11.9549 -10.2387 -10.2387 -10.2384 -10.2384 -3.6812 -3.6812 -3.6531 -3.6531 -2.6648 -2.6648 -2.6198 -2.6198 -2.5003 -2.5003 -2.4864 -2.4864 5.9576 5.9576 5.9635 5.9635 6.0054 6.0054 6.0249 6.0249 6.3887 6.3887 6.4003 6.4003 8.1571 8.1571 8.1595 8.1595 8.8027 8.8027 8.8032 8.8032 8.9633 8.9633 8.9638 8.9638 19.6178 19.6178 19.6276 19.6276 19.7656 19.7656 19.7748 19.7748 21.8569 21.8569 k = 0.0727 0.1260 0.3952 ( 2548 PWs) bands (ev): -20.9109 -20.9109 -20.9109 -20.9109 -11.9446 -11.9446 -11.9439 -11.9439 -10.2344 -10.2344 -10.2341 -10.2341 -3.6799 -3.6799 -3.6574 -3.6574 -2.6615 -2.6615 -2.6241 -2.6241 -2.5029 -2.5029 -2.4905 -2.4905 5.9414 5.9414 5.9453 5.9453 5.9854 5.9854 6.0000 6.0000 6.3822 6.3822 6.3913 6.3913 8.1783 8.1783 8.1802 8.1802 8.8091 8.8091 8.8096 8.8096 8.9597 8.9597 8.9602 8.9602 19.6319 19.6319 19.6410 19.6410 19.7642 19.7642 19.7728 19.7728 21.8445 21.8445 k = 0.0667 0.1155 0.3952 ( 2554 PWs) bands (ev): -20.9143 -20.9143 -20.9143 -20.9143 -11.9342 -11.9342 -11.9336 -11.9336 -10.2303 -10.2303 -10.2301 -10.2301 -3.6790 -3.6790 -3.6614 -3.6614 -2.6586 -2.6586 -2.6285 -2.6285 -2.5046 -2.5046 -2.4940 -2.4940 5.9249 5.9249 5.9269 5.9269 5.9662 5.9662 5.9763 5.9763 6.3771 6.3771 6.3840 6.3840 8.2003 8.2003 8.2018 8.2018 8.8149 8.8149 8.8154 8.8154 8.9553 8.9553 8.9557 8.9557 19.6458 19.6458 19.6541 19.6541 19.7629 19.7629 19.7708 19.7708 21.8328 21.8328 k = 0.0606 0.1050 0.3952 ( 2558 PWs) bands (ev): -20.9173 -20.9173 -20.9173 -20.9173 -11.9244 -11.9244 -11.9240 -11.9240 -10.2267 -10.2267 -10.2265 -10.2265 -3.6784 -3.6784 -3.6649 -3.6649 -2.6562 -2.6562 -2.6327 -2.6327 -2.5056 -2.5056 -2.4970 -2.4970 5.9083 5.9083 5.9087 5.9087 5.9478 5.9478 5.9543 5.9543 6.3729 6.3729 6.3780 6.3780 8.2226 8.2226 8.2237 8.2237 8.8200 8.8200 8.8204 8.8204 8.9502 8.9502 8.9506 8.9506 19.6591 19.6591 19.6666 19.6666 19.7618 19.7618 19.7690 19.7690 21.8220 21.8220 k = 0.0545 0.0945 0.3952 ( 2550 PWs) bands (ev): -20.9202 -20.9202 -20.9202 -20.9202 -11.9154 -11.9154 -11.9151 -11.9151 -10.2233 -10.2233 -10.2232 -10.2232 -3.6780 -3.6780 -3.6681 -3.6681 -2.6543 -2.6543 -2.6366 -2.6366 -2.5060 -2.5060 -2.4994 -2.4994 5.8913 5.8913 5.8919 5.8919 5.9305 5.9305 5.9343 5.9343 6.3696 6.3696 6.3733 6.3733 8.2448 8.2448 8.2456 8.2456 8.8242 8.8242 8.8246 8.8246 8.9447 8.9447 8.9451 8.9451 19.6718 19.6718 19.6784 19.6784 19.7610 19.7610 19.7674 19.7674 21.8122 21.8122 k = 0.0485 0.0840 0.3952 ( 2542 PWs) bands (ev): -20.9227 -20.9227 -20.9227 -20.9227 -11.9073 -11.9073 -11.9070 -11.9070 -10.2204 -10.2204 -10.2203 -10.2203 -3.6779 -3.6779 -3.6709 -3.6709 -2.6529 -2.6529 -2.6402 -2.6402 -2.5061 -2.5061 -2.5012 -2.5012 5.8750 5.8750 5.8761 5.8761 5.9145 5.9145 5.9164 5.9164 6.3670 6.3670 6.3695 6.3695 8.2666 8.2666 8.2672 8.2672 8.8274 8.8274 8.8277 8.8277 8.9392 8.9392 8.9395 8.9395 19.6835 19.6835 19.6891 19.6891 19.7607 19.7607 19.7661 19.7661 21.8035 21.8035 k = 0.0424 0.0735 0.3952 ( 2542 PWs) bands (ev): -20.9250 -20.9250 -20.9250 -20.9250 -11.9000 -11.9000 -11.8998 -11.8998 -10.2177 -10.2177 -10.2177 -10.2177 -3.6781 -3.6781 -3.6733 -3.6733 -2.6520 -2.6520 -2.6433 -2.6433 -2.5059 -2.5059 -2.5025 -2.5025 5.8600 5.8600 5.8612 5.8612 5.8999 5.8999 5.9007 5.9007 6.3648 6.3648 6.3664 6.3664 8.2874 8.2874 8.2879 8.2879 8.8296 8.8296 8.8298 8.8298 8.9338 8.9338 8.9341 8.9341 19.6941 19.6941 19.6986 19.6986 19.7609 19.7609 19.7652 19.7652 21.7958 21.7958 k = 0.0364 0.0630 0.3952 ( 2538 PWs) bands (ev): -20.9270 -20.9270 -20.9270 -20.9270 -11.8935 -11.8935 -11.8934 -11.8934 -10.2155 -10.2155 -10.2155 -10.2155 -3.6783 -3.6783 -3.6753 -3.6753 -2.6515 -2.6515 -2.6459 -2.6459 -2.5056 -2.5056 -2.5034 -2.5034 5.8466 5.8466 5.8476 5.8476 5.8869 5.8869 5.8871 5.8871 6.3630 6.3630 6.3641 6.3641 8.3070 8.3070 8.3072 8.3072 8.8306 8.8306 8.8308 8.8308 8.9290 8.9290 8.9292 8.9292 19.7032 19.7032 19.7065 19.7065 19.7617 19.7617 19.7649 19.7649 21.7891 21.7891 k = 0.0303 0.0525 0.3952 ( 2538 PWs) bands (ev): -20.9287 -20.9287 -20.9287 -20.9287 -11.8880 -11.8880 -11.8880 -11.8880 -10.2136 -10.2136 -10.2136 -10.2136 -3.6787 -3.6787 -3.6769 -3.6769 -2.6513 -2.6513 -2.6481 -2.6481 -2.5053 -2.5053 -2.5040 -2.5040 5.8350 5.8350 5.8357 5.8357 5.8756 5.8756 5.8756 5.8756 6.3616 6.3616 6.3622 6.3622 8.3247 8.3247 8.3248 8.3248 8.8306 8.8306 8.8307 8.8307 8.9249 8.9249 8.9250 8.9250 19.7106 19.7106 19.7128 19.7128 19.7631 19.7631 19.7653 19.7653 21.7835 21.7835 k = 0.0242 0.0420 0.3952 ( 2546 PWs) bands (ev): -20.9301 -20.9301 -20.9301 -20.9301 -11.8835 -11.8835 -11.8835 -11.8835 -10.2120 -10.2120 -10.2120 -10.2120 -3.6792 -3.6792 -3.6782 -3.6782 -2.6514 -2.6514 -2.6497 -2.6497 -2.5049 -2.5049 -2.5043 -2.5043 5.8252 5.8252 5.8257 5.8257 5.8661 5.8661 5.8662 5.8662 6.3605 6.3605 6.3608 6.3608 8.3400 8.3400 8.3401 8.3401 8.8297 8.8297 8.8298 8.8298 8.9216 8.9216 8.9217 8.9217 19.7162 19.7162 19.7174 19.7174 19.7650 19.7650 19.7662 19.7662 21.7789 21.7790 k = 0.0182 0.0315 0.3952 ( 2538 PWs) bands (ev): -20.9312 -20.9312 -20.9312 -20.9312 -11.8799 -11.8799 -11.8799 -11.8799 -10.2108 -10.2108 -10.2108 -10.2108 -3.6796 -3.6796 -3.6792 -3.6792 -2.6516 -2.6516 -2.6509 -2.6509 -2.5046 -2.5046 -2.5043 -2.5043 5.8176 5.8176 5.8177 5.8177 5.8587 5.8587 5.8587 5.8587 6.3597 6.3597 6.3598 6.3598 8.3526 8.3526 8.3527 8.3527 8.8284 8.8284 8.8284 8.8284 8.9193 8.9193 8.9193 8.9193 19.7201 19.7201 19.7206 19.7206 19.7670 19.7670 19.7675 19.7675 21.7754 21.7754 k = 0.0121 0.0210 0.3952 ( 2538 PWs) bands (ev): -20.9320 -20.9320 -20.9320 -20.9320 -11.8774 -11.8774 -11.8774 -11.8774 -10.2099 -10.2099 -10.2099 -10.2099 -3.6799 -3.6799 -3.6798 -3.6798 -2.6519 -2.6519 -2.6517 -2.6517 -2.5044 -2.5044 -2.5043 -2.5043 5.8120 5.8120 5.8120 5.8120 5.8534 5.8534 5.8534 5.8534 6.3591 6.3591 6.3592 6.3592 8.3620 8.3620 8.3620 8.3620 8.8270 8.8270 8.8270 8.8270 8.9177 8.9177 8.9177 8.9177 19.7225 19.7225 19.7227 19.7227 19.7687 19.7687 19.7689 19.7689 21.7729 21.7729 k = 0.0061 0.0105 0.3952 ( 2532 PWs) bands (ev): -20.9324 -20.9324 -20.9324 -20.9324 -11.8759 -11.8759 -11.8759 -11.8759 -10.2094 -10.2094 -10.2094 -10.2094 -3.6802 -3.6802 -3.6802 -3.6802 -2.6522 -2.6522 -2.6521 -2.6521 -2.5043 -2.5043 -2.5043 -2.5043 5.8086 5.8086 5.8086 5.8086 5.8502 5.8502 5.8502 5.8502 6.3588 6.3588 6.3588 6.3588 8.3678 8.3678 8.3678 8.3678 8.8260 8.8260 8.8260 8.8260 8.9168 8.9168 8.9168 8.9168 19.7238 19.7238 19.7238 19.7238 19.7699 19.7699 19.7699 19.7699 21.7713 21.7714 k = 0.0000 0.0000 0.3952 ( 2528 PWs) bands (ev): -20.9326 -20.9326 -20.9326 -20.9326 -11.8753 -11.8753 -11.8753 -11.8753 -10.2092 -10.2092 -10.2092 -10.2092 -3.6803 -3.6803 -3.6803 -3.6803 -2.6523 -2.6523 -2.6523 -2.6523 -2.5043 -2.5043 -2.5043 -2.5043 5.8074 5.8074 5.8074 5.8074 5.8491 5.8491 5.8491 5.8491 6.3587 6.3587 6.3587 6.3587 8.3697 8.3697 8.3697 8.3697 8.8256 8.8256 8.8256 8.8256 8.9165 8.9165 8.9165 8.9165 19.7242 19.7242 19.7242 19.7242 19.7703 19.7703 19.7703 19.7703 21.7708 21.7708 k = 0.5000 0.2887 0.3952 ( 2548 PWs) bands (ev): -20.7826 -20.7826 -20.7826 -20.7826 -12.3103 -12.3103 -12.3103 -12.3103 -10.4133 -10.4133 -10.4133 -10.4133 -3.6820 -3.6820 -3.6820 -3.6820 -2.7256 -2.7256 -2.7256 -2.7256 -2.1168 -2.1168 -2.1168 -2.1168 5.7880 5.7880 5.7880 5.7880 6.5387 6.5387 6.5387 6.5387 7.1654 7.1654 7.1654 7.1654 8.2952 8.2952 8.2952 8.2952 8.5878 8.5878 8.5878 8.5878 8.7492 8.7492 8.7492 8.7492 19.5236 19.5236 19.5236 19.5236 19.8933 19.8933 19.8933 19.8933 20.6632 20.6632 k = 0.5000 0.2887 0.3832 ( 2540 PWs) bands (ev): -20.7866 -20.7866 -20.7786 -20.7786 -12.3147 -12.3147 -12.3053 -12.3053 -10.4292 -10.4292 -10.3973 -10.3973 -3.7005 -3.7005 -3.6640 -3.6640 -2.7473 -2.7473 -2.7052 -2.7052 -2.1232 -2.1232 -2.1107 -2.1107 5.7807 5.7807 5.7996 5.7996 6.5157 6.5157 6.5617 6.5617 7.1614 7.1614 7.1698 7.1698 8.2812 8.2812 8.3086 8.3086 8.5428 8.5428 8.6312 8.6312 8.7340 8.7340 8.7669 8.7669 19.4592 19.4592 19.5877 19.5877 19.8083 19.8083 19.9793 19.9793 20.5987 20.5987 k = 0.5000 0.2887 0.3713 ( 2540 PWs) bands (ev): -20.7907 -20.7907 -20.7747 -20.7747 -12.3186 -12.3186 -12.2998 -12.2998 -10.4450 -10.4450 -10.3813 -10.3813 -3.7194 -3.7194 -3.6467 -3.6467 -2.7703 -2.7703 -2.6862 -2.6862 -2.1302 -2.1302 -2.1052 -2.1052 5.7777 5.7777 5.8155 5.8155 6.4928 6.4928 6.5845 6.5845 7.1580 7.1580 7.1747 7.1747 8.2664 8.2664 8.3211 8.3211 8.4977 8.4977 8.6707 8.6707 8.7204 8.7204 8.7891 8.7891 19.3947 19.3947 19.6511 19.6511 19.7249 19.7249 20.0662 20.0662 20.5334 20.5334 k = 0.5000 0.2887 0.3593 ( 2546 PWs) bands (ev): -20.7948 -20.7948 -20.7708 -20.7708 -12.3220 -12.3220 -12.2938 -12.2938 -10.4607 -10.4607 -10.3653 -10.3653 -3.7388 -3.7388 -3.6301 -3.6301 -2.7946 -2.7946 -2.6685 -2.6685 -2.1375 -2.1375 -2.1003 -2.1003 5.7790 5.7790 5.8354 5.8354 6.4699 6.4699 6.6070 6.6070 7.1550 7.1550 7.1799 7.1799 8.2508 8.2508 8.3329 8.3329 8.4532 8.4532 8.7001 8.7001 8.7109 8.7109 8.8187 8.8187 19.3303 19.3303 19.6416 19.6416 19.7152 19.7152 20.1536 20.1536 20.4674 20.4674 k = 0.5000 0.2887 0.3473 ( 2546 PWs) bands (ev): -20.7989 -20.7989 -20.7671 -20.7671 -12.3247 -12.3247 -12.2873 -12.2873 -10.4762 -10.4762 -10.3494 -10.3494 -3.7586 -3.7586 -3.6141 -3.6141 -2.8200 -2.8200 -2.6522 -2.6522 -2.1451 -2.1451 -2.0958 -2.0958 5.7844 5.7844 5.8594 5.8594 6.4475 6.4475 6.6292 6.6292 7.1526 7.1526 7.1855 7.1855 8.2345 8.2345 8.3438 8.3438 8.4099 8.4099 8.6926 8.6926 8.7307 8.7307 8.8567 8.8567 19.2661 19.2661 19.5613 19.5613 19.7773 19.7773 20.2408 20.2408 20.4016 20.4016 k = 0.5000 0.2887 0.3353 ( 2542 PWs) bands (ev): -20.8031 -20.8031 -20.7634 -20.7634 -12.3270 -12.3270 -12.2803 -12.2803 -10.4916 -10.4916 -10.3336 -10.3336 -3.7788 -3.7788 -3.5989 -3.5989 -2.8466 -2.8466 -2.6372 -2.6372 -2.1530 -2.1530 -2.0919 -2.0919 5.7937 5.7937 5.8871 5.8871 6.4256 6.4256 6.6511 6.6511 7.1508 7.1508 7.1914 7.1914 8.2174 8.2174 8.3514 8.3514 8.3704 8.3704 8.6800 8.6800 8.7494 8.7494 8.9015 8.9015 19.2024 19.2024 19.4824 19.4824 19.8387 19.8387 20.3148 20.3148 20.3491 20.3491 k = 0.5000 0.2887 0.3234 ( 2550 PWs) bands (ev): -20.8072 -20.8072 -20.7598 -20.7598 -12.3287 -12.3287 -12.2729 -12.2729 -10.5066 -10.5066 -10.3179 -10.3179 -3.7992 -3.7992 -3.5845 -3.5845 -2.8741 -2.8741 -2.6234 -2.6234 -2.1612 -2.1612 -2.0886 -2.0886 5.8065 5.8065 5.9184 5.9184 6.4045 6.4045 6.6727 6.6727 7.1497 7.1497 7.1976 7.1976 8.1996 8.1996 8.3241 8.3241 8.3666 8.3666 8.6671 8.6671 8.7642 8.7642 8.9507 8.9507 19.1393 19.1393 19.4055 19.4055 19.8988 19.8988 20.2640 20.2640 20.4213 20.4213 k = 0.5000 0.2887 0.3114 ( 2552 PWs) bands (ev): -20.8113 -20.8113 -20.7563 -20.7563 -12.3299 -12.3299 -12.2650 -12.2650 -10.5214 -10.5214 -10.3024 -10.3024 -3.8198 -3.8198 -3.5710 -3.5710 -2.9025 -2.9025 -2.6109 -2.6109 -2.1695 -2.1695 -2.0858 -2.0858 5.8226 5.8226 5.9530 5.9530 6.3847 6.3847 6.6938 6.6938 7.1492 7.1492 7.2040 7.2040 8.1810 8.1810 8.2855 8.2855 8.3751 8.3751 8.6540 8.6540 8.7767 8.7767 9.0023 9.0023 19.0769 19.0769 19.3306 19.3306 19.9570 19.9570 20.1991 20.1991 20.5084 20.5084 k = 0.5000 0.2887 0.2994 ( 2548 PWs) bands (ev): -20.8154 -20.8154 -20.7529 -20.7529 -12.3306 -12.3306 -12.2568 -12.2568 -10.5359 -10.5359 -10.2872 -10.2872 -3.8406 -3.8406 -3.5584 -3.5584 -2.9315 -2.9315 -2.5996 -2.5996 -2.1779 -2.1779 -2.0834 -2.0834 5.8413 5.8413 5.9906 5.9906 6.3666 6.3666 6.7145 6.7145 7.1493 7.1493 7.2106 7.2106 8.1617 8.1617 8.2480 8.2480 8.3836 8.3836 8.6408 8.6408 8.7877 8.7877 9.0554 9.0554 19.0155 19.0155 19.2579 19.2579 20.0105 20.0105 20.1373 20.1373 20.5956 20.5956 k = 0.5000 0.2887 0.2874 ( 2546 PWs) bands (ev): -20.8195 -20.8195 -20.7496 -20.7496 -12.3308 -12.3308 -12.2483 -12.2483 -10.5501 -10.5501 -10.2722 -10.2722 -3.8615 -3.8615 -3.5467 -3.5467 -2.9612 -2.9612 -2.5894 -2.5894 -2.1864 -2.1864 -2.0815 -2.0815 5.8617 5.8617 6.0308 6.0308 6.3510 6.3510 6.7347 6.7347 7.1502 7.1502 7.2173 7.2173 8.1415 8.1415 8.2121 8.2121 8.3916 8.3916 8.6274 8.6274 8.7978 8.7978 9.1092 9.1092 18.9553 18.9553 19.1875 19.1875 20.0324 20.0324 20.1060 20.1060 20.6821 20.6821 k = 0.5000 0.2887 0.2755 ( 2550 PWs) bands (ev): -20.8235 -20.8235 -20.7464 -20.7464 -12.3305 -12.3305 -12.2395 -12.2395 -10.5639 -10.5639 -10.2575 -10.2575 -3.8825 -3.8825 -3.5359 -3.5359 -2.9912 -2.9912 -2.5802 -2.5802 -2.1949 -2.1949 -2.0800 -2.0800 5.8829 5.8829 6.0733 6.0733 6.3388 6.3388 6.7544 6.7544 7.1518 7.1518 7.2241 7.2241 8.1205 8.1205 8.1781 8.1781 8.3990 8.3990 8.6138 8.6138 8.8070 8.8070 9.1632 9.1632 18.8963 18.8963 19.1195 19.1195 19.9841 19.9841 20.1438 20.1438 20.7675 20.7675 k = 0.5000 0.2887 0.2635 ( 2550 PWs) bands (ev): -20.8275 -20.8275 -20.7434 -20.7434 -12.3299 -12.3299 -12.2305 -12.2305 -10.5773 -10.5773 -10.2431 -10.2431 -3.9035 -3.9035 -3.5262 -3.5262 -3.0213 -3.0213 -2.5720 -2.5720 -2.2034 -2.2034 -2.0789 -2.0789 5.9035 5.9035 6.1177 6.1177 6.3313 6.3313 6.7735 6.7735 7.1541 7.1541 7.2310 7.2310 8.0986 8.0986 8.1460 8.1460 8.4059 8.4059 8.6000 8.6000 8.8158 8.8158 9.2173 9.2173 18.8389 18.8389 19.0539 19.0539 19.9214 19.9214 20.1953 20.1953 20.8515 20.8515 k = 0.5000 0.2887 0.2515 ( 2556 PWs) bands (ev): -20.8314 -20.8314 -20.7404 -20.7404 -12.3288 -12.3288 -12.2212 -12.2212 -10.5902 -10.5902 -10.2291 -10.2291 -3.9244 -3.9244 -3.5175 -3.5175 -3.0515 -3.0515 -2.5648 -2.5648 -2.2118 -2.2118 -2.0780 -2.0780 5.9221 5.9221 6.1635 6.1635 6.3298 6.3298 6.7921 6.7921 7.1572 7.1572 7.2379 7.2379 8.0758 8.0758 8.1158 8.1158 8.4123 8.4123 8.5860 8.5860 8.8240 8.8240 9.2709 9.2709 18.7831 18.7831 18.9910 18.9910 19.8573 19.8573 20.2477 20.2477 20.9332 20.9332 k = 0.5000 0.2887 0.2395 ( 2554 PWs) bands (ev): -20.8352 -20.8352 -20.7376 -20.7376 -12.3274 -12.3274 -12.2119 -12.2119 -10.6027 -10.6027 -10.2155 -10.2155 -3.9452 -3.9452 -3.5098 -3.5098 -3.0816 -3.0816 -2.5584 -2.5584 -2.2201 -2.2201 -2.0774 -2.0774 5.9369 5.9369 6.2102 6.2102 6.3359 6.3359 6.8101 6.8101 7.1610 7.1610 7.2449 7.2449 8.0522 8.0522 8.0875 8.0875 8.4182 8.4182 8.5717 8.5717 8.8319 8.8319 9.3240 9.3240 18.7291 18.7291 18.9307 18.9307 19.7934 19.7934 20.2992 20.2992 21.0080 21.0080 k = 0.5000 0.2887 0.2275 ( 2554 PWs) bands (ev): -20.8389 -20.8389 -20.7350 -20.7350 -12.3257 -12.3257 -12.2024 -12.2024 -10.6148 -10.6148 -10.2024 -10.2024 -3.9658 -3.9658 -3.5030 -3.5030 -3.1112 -3.1112 -2.5527 -2.5527 -2.2282 -2.2282 -2.0769 -2.0769 5.9467 5.9467 6.2572 6.2572 6.3509 6.3509 6.8275 6.8275 7.1655 7.1655 7.2517 7.2517 8.0279 8.0279 8.0609 8.0609 8.4237 8.4237 8.5573 8.5573 8.8394 8.8394 9.3762 9.3762 18.6771 18.6771 18.8731 18.8731 19.7302 19.7302 20.3496 20.3496 20.9926 20.9926 k = 0.5000 0.2887 0.2156 ( 2550 PWs) bands (ev): -20.8424 -20.8424 -20.7324 -20.7324 -12.3238 -12.3238 -12.1930 -12.1930 -10.6263 -10.6263 -10.1897 -10.1897 -3.9862 -3.9862 -3.4973 -3.4973 -3.1404 -3.1404 -2.5478 -2.5478 -2.2361 -2.2361 -2.0766 -2.0766 5.9510 5.9510 6.3039 6.3039 6.3752 6.3752 6.8443 6.8443 7.1708 7.1708 7.2585 7.2585 8.0035 8.0035 8.0356 8.0356 8.4286 8.4286 8.5428 8.5428 8.8466 8.8466 9.4273 9.4273 18.6273 18.6273 18.8184 18.8184 19.6683 19.6683 20.3986 20.3986 20.9215 20.9215 k = 0.5000 0.2887 0.2036 ( 2548 PWs) bands (ev): -20.8459 -20.8459 -20.7300 -20.7300 -12.3216 -12.3216 -12.1836 -12.1836 -10.6373 -10.6373 -10.1776 -10.1776 -4.0063 -4.0063 -3.4925 -3.4925 -3.1688 -3.1688 -2.5435 -2.5435 -2.2438 -2.2438 -2.0763 -2.0763 5.9501 5.9501 6.3503 6.3503 6.4079 6.4079 6.8603 6.8603 7.1768 7.1768 7.2652 7.2652 7.9791 7.9791 8.0111 8.0111 8.4332 8.4332 8.5281 8.5281 8.8535 8.8535 9.4771 9.4771 18.5797 18.5797 18.7664 18.7664 19.6077 19.6077 20.4462 20.4462 20.8381 20.8381 k = 0.5000 0.2887 0.1916 ( 2564 PWs) bands (ev): -20.8493 -20.8493 -20.7277 -20.7277 -12.3192 -12.3192 -12.1743 -12.1743 -10.6478 -10.6478 -10.1660 -10.1660 -4.0259 -4.0259 -3.4886 -3.4886 -3.1964 -3.1964 -2.5399 -2.5399 -2.2513 -2.2513 -2.0761 -2.0761 5.9448 5.9448 6.3966 6.3966 6.4471 6.4471 6.8756 6.8756 7.1835 7.1835 7.2717 7.2717 7.9551 7.9551 7.9874 7.9874 8.4373 8.4373 8.5134 8.5134 8.8601 8.8601 9.5253 9.5253 18.5345 18.5345 18.7172 18.7172 19.5487 19.5487 20.4921 20.4921 20.7478 20.7478 k = 0.5000 0.2887 0.1796 ( 2564 PWs) bands (ev): -20.8525 -20.8525 -20.7256 -20.7256 -12.3166 -12.3166 -12.1651 -12.1651 -10.6577 -10.6577 -10.1550 -10.1550 -4.0451 -4.0451 -3.4856 -3.4856 -3.2229 -3.2229 -2.5367 -2.5367 -2.2584 -2.2584 -2.0759 -2.0759 5.9363 5.9363 6.4435 6.4435 6.4903 6.4903 6.8902 6.8902 7.1909 7.1909 7.2781 7.2781 7.9316 7.9316 7.9641 7.9641 8.4410 8.4410 8.4987 8.4987 8.8664 8.8664 9.5718 9.5718 18.4918 18.4918 18.6710 18.6710 19.4916 19.4916 20.5363 20.5363 20.6539 20.6539 k = 0.5000 0.2887 0.1677 ( 2568 PWs) bands (ev): -20.8555 -20.8555 -20.7236 -20.7236 -12.3140 -12.3140 -12.1563 -12.1563 -10.6670 -10.6670 -10.1445 -10.1445 -4.0636 -4.0636 -3.4833 -3.4833 -3.2482 -3.2482 -2.5340 -2.5340 -2.2652 -2.2652 -2.0757 -2.0757 5.9256 5.9256 6.4913 6.4913 6.5355 6.5355 6.9039 6.9039 7.1990 7.1990 7.2842 7.2842 7.9087 7.9087 7.9413 7.9413 8.4443 8.4443 8.4841 8.4841 8.8725 8.8725 9.6163 9.6163 18.4518 18.4518 18.6277 18.6277 19.4366 19.4366 20.5546 20.5546 20.5832 20.5832 k = 0.5000 0.2887 0.1557 ( 2568 PWs) bands (ev): -20.8584 -20.8584 -20.7217 -20.7217 -12.3113 -12.3113 -12.1477 -12.1477 -10.6758 -10.6758 -10.1347 -10.1347 -4.0815 -4.0815 -3.4818 -3.4818 -3.2723 -3.2723 -2.5317 -2.5317 -2.2716 -2.2716 -2.0755 -2.0755 5.9135 5.9135 6.5397 6.5397 6.5816 6.5816 6.9168 6.9168 7.2076 7.2076 7.2901 7.2901 7.8864 7.8864 7.9189 7.9189 8.4470 8.4470 8.4699 8.4699 8.8783 8.8783 9.6587 9.6587 18.4145 18.4145 18.5874 18.5874 19.3840 19.3840 20.4625 20.4625 20.6219 20.6219 k = 0.5000 0.2887 0.1437 ( 2568 PWs) bands (ev): -20.8611 -20.8611 -20.7200 -20.7200 -12.3086 -12.3086 -12.1394 -12.1394 -10.6839 -10.6839 -10.1255 -10.1255 -4.0986 -4.0986 -3.4808 -3.4808 -3.2949 -3.2949 -2.5297 -2.5297 -2.2776 -2.2776 -2.0753 -2.0753 5.9008 5.9008 6.5879 6.5879 6.6277 6.6277 6.9288 6.9288 7.2168 7.2168 7.2958 7.2958 7.8647 7.8647 7.8969 7.8969 8.4476 8.4476 8.4577 8.4577 8.8839 8.8839 9.6988 9.6988 18.3799 18.3799 18.5500 18.5500 19.3339 19.3339 20.3703 20.3703 20.6615 20.6615 k = 0.5000 0.2887 0.1317 ( 2566 PWs) bands (ev): -20.8636 -20.8636 -20.7184 -20.7184 -12.3060 -12.3060 -12.1316 -12.1316 -10.6915 -10.6915 -10.1170 -10.1170 -4.1148 -4.1148 -3.4804 -3.4804 -3.3161 -3.3161 -2.5281 -2.5281 -2.2833 -2.2833 -2.0750 -2.0750 5.8880 5.8880 6.6347 6.6347 6.6738 6.6738 6.9398 6.9398 7.2265 7.2265 7.3011 7.3011 7.8437 7.8437 7.8754 7.8754 8.4388 8.4388 8.4549 8.4549 8.8891 8.8891 9.7364 9.7364 18.3483 18.3483 18.5155 18.5155 19.2867 19.2867 20.2815 20.2815 20.6994 20.6994 k = 0.5000 0.2887 0.1198 ( 2558 PWs) bands (ev): -20.8660 -20.8660 -20.7170 -20.7170 -12.3034 -12.3034 -12.1242 -12.1242 -10.6983 -10.6983 -10.1092 -10.1092 -4.1300 -4.1300 -3.4805 -3.4805 -3.3356 -3.3356 -2.5267 -2.5267 -2.2885 -2.2885 -2.0747 -2.0747 5.8753 5.8753 6.6790 6.6790 6.7200 6.7200 6.9499 6.9499 7.2364 7.2364 7.3062 7.3062 7.8232 7.8232 7.8546 7.8546 8.4259 8.4259 8.4563 8.4563 8.8940 8.8940 9.7714 9.7714 18.3195 18.3195 18.4841 18.4841 19.2425 19.2425 20.1971 20.1971 20.7356 20.7356 k = 0.5000 0.2887 0.1078 ( 2554 PWs) bands (ev): -20.8681 -20.8681 -20.7157 -20.7157 -12.3009 -12.3009 -12.1173 -12.1173 -10.7046 -10.7046 -10.1020 -10.1020 -4.1442 -4.1442 -3.4809 -3.4809 -3.3534 -3.3534 -2.5255 -2.5255 -2.2932 -2.2932 -2.0743 -2.0743 5.8632 5.8632 6.7198 6.7198 6.7659 6.7659 6.9589 6.9589 7.2466 7.2466 7.3108 7.3108 7.8035 7.8035 7.8344 7.8344 8.4131 8.4131 8.4581 8.4581 8.8986 8.8986 9.8036 9.8036 18.2936 18.2936 18.4557 18.4557 19.2017 19.2017 20.1182 20.1182 20.7698 20.7698 k = 0.5000 0.2887 0.0958 ( 2558 PWs) bands (ev): -20.8701 -20.8701 -20.7145 -20.7145 -12.2986 -12.2986 -12.1110 -12.1110 -10.7102 -10.7102 -10.0956 -10.0956 -4.1572 -4.1572 -3.4816 -3.4816 -3.3695 -3.3695 -2.5245 -2.5245 -2.2975 -2.2975 -2.0739 -2.0739 5.8519 5.8519 6.7568 6.7568 6.8108 6.8108 6.9668 6.9668 7.2569 7.2569 7.3151 7.3151 7.7846 7.7846 7.8150 7.8150 8.4009 8.4009 8.4597 8.4597 8.9028 8.9028 9.8327 9.8327 18.2707 18.2707 18.4302 18.4302 19.1644 19.1644 20.0456 20.0456 20.8020 20.8020 k = 0.5000 0.2887 0.0838 ( 2562 PWs) bands (ev): -20.8718 -20.8718 -20.7135 -20.7135 -12.2964 -12.2964 -12.1054 -12.1054 -10.7152 -10.7152 -10.0899 -10.0899 -4.1689 -4.1689 -3.4824 -3.4824 -3.3839 -3.3839 -2.5237 -2.5237 -2.3013 -2.3013 -2.0736 -2.0736 5.8416 5.8416 6.7900 6.7900 6.8540 6.8540 6.9736 6.9736 7.2670 7.2670 7.3189 7.3189 7.7668 7.7668 7.7965 7.7965 8.3896 8.3896 8.4611 8.4611 8.9066 8.9066 9.8588 9.8588 18.2506 18.2506 18.4077 18.4077 19.1308 19.1308 19.9798 19.9798 20.8318 20.8318 k = 0.5000 0.2887 0.0719 ( 2566 PWs) bands (ev): -20.8733 -20.8733 -20.7126 -20.7126 -12.2945 -12.2945 -12.1004 -12.1004 -10.7196 -10.7196 -10.0849 -10.0849 -4.1793 -4.1793 -3.4833 -3.4833 -3.3964 -3.3964 -2.5231 -2.5231 -2.3046 -2.3046 -2.0733 -2.0733 5.8324 5.8324 6.8192 6.8192 6.8942 6.8942 6.9794 6.9794 7.2768 7.2768 7.3223 7.3223 7.7501 7.7501 7.7793 7.7793 8.3793 8.3793 8.4623 8.4623 8.9101 8.9101 9.8816 9.8816 18.2334 18.2334 18.3883 18.3883 19.1013 19.1013 19.9215 19.9215 20.8589 20.8589 k = 0.5000 0.2887 0.0599 ( 2566 PWs) bands (ev): -20.8746 -20.8746 -20.7118 -20.7118 -12.2928 -12.2928 -12.0961 -12.0961 -10.7232 -10.7232 -10.0807 -10.0807 -4.1882 -4.1882 -3.4842 -3.4842 -3.4070 -3.4070 -2.5225 -2.5225 -2.3075 -2.3075 -2.0729 -2.0729 5.8244 5.8244 6.8446 6.8446 6.9302 6.9302 6.9843 6.9843 7.2860 7.2860 7.3252 7.3252 7.7350 7.7350 7.7636 7.7636 8.3703 8.3703 8.4634 8.4634 8.9130 8.9130 9.9011 9.9011 18.2189 18.2189 18.3718 18.3718 19.0760 19.0760 19.8712 19.8712 20.8830 20.8830 k = 0.5000 0.2887 0.0479 ( 2576 PWs) bands (ev): -20.8757 -20.8757 -20.7112 -20.7112 -12.2914 -12.2914 -12.0925 -12.0925 -10.7263 -10.7263 -10.0772 -10.0772 -4.1956 -4.1956 -3.4850 -3.4850 -3.4158 -3.4158 -2.5221 -2.5221 -2.3098 -2.3098 -2.0727 -2.0727 5.8177 5.8177 6.8658 6.8658 6.9601 6.9601 6.9892 6.9892 7.2943 7.2943 7.3276 7.3276 7.7218 7.7218 7.7499 7.7499 8.3627 8.3627 8.4642 8.4642 8.9155 8.9155 9.9172 9.9172 18.2072 18.2072 18.3583 18.3583 19.0550 19.0550 19.8294 19.8294 20.9037 20.9037 k = 0.5000 0.2887 0.0359 ( 2578 PWs) bands (ev): -20.8765 -20.8765 -20.7108 -20.7108 -12.2903 -12.2903 -12.0897 -12.0897 -10.7286 -10.7286 -10.0745 -10.0745 -4.2014 -4.2014 -3.4857 -3.4857 -3.4226 -3.4226 -2.5218 -2.5218 -2.3116 -2.3116 -2.0724 -2.0724 5.8125 5.8125 6.8828 6.8828 6.9792 6.9792 6.9983 6.9983 7.3013 7.3013 7.3294 7.3294 7.7108 7.7108 7.7385 7.7385 8.3566 8.3566 8.4648 8.4648 8.9174 8.9174 9.9298 9.9298 18.1982 18.1982 18.3478 18.3478 19.0385 19.0385 19.7965 19.7965 20.9204 20.9204 k = 0.5000 0.2887 0.0240 ( 2578 PWs) bands (ev): -20.8771 -20.8771 -20.7104 -20.7104 -12.2895 -12.2895 -12.0877 -12.0877 -10.7303 -10.7303 -10.0726 -10.0726 -4.2056 -4.2056 -3.4863 -3.4863 -3.4275 -3.4275 -2.5216 -2.5216 -2.3129 -2.3129 -2.0722 -2.0722 5.8087 5.8087 6.8953 6.8953 6.9851 6.9851 7.0128 7.0128 7.3066 7.3066 7.3307 7.3307 7.7024 7.7024 7.7300 7.7300 8.3522 8.3522 8.4653 8.4653 8.9188 8.9188 9.9389 9.9389 18.1918 18.1918 18.3404 18.3404 19.0267 19.0267 19.7728 19.7728 20.9328 20.9328 k = 0.5000 0.2887 0.0120 ( 2574 PWs) bands (ev): -20.8774 -20.8774 -20.7102 -20.7102 -12.2890 -12.2890 -12.0865 -12.0865 -10.7313 -10.7313 -10.0714 -10.0714 -4.2081 -4.2081 -3.4866 -3.4866 -3.4304 -3.4304 -2.5214 -2.5214 -2.3137 -2.3137 -2.0721 -2.0721 5.8064 5.8064 6.9030 6.9030 6.9867 6.9867 7.0237 7.0237 7.3101 7.3101 7.3315 7.3315 7.6972 7.6972 7.7248 7.7248 8.3495 8.3495 8.4655 8.4655 8.9197 8.9197 9.9443 9.9443 18.1880 18.1880 18.3359 18.3359 19.0195 19.0195 19.7584 19.7584 20.9404 20.9404 k = 0.5000 0.2887-0.0000 ( 2570 PWs) bands (ev): -20.8775 -20.8775 -20.7101 -20.7101 -12.2889 -12.2889 -12.0861 -12.0861 -10.7316 -10.7316 -10.0710 -10.0710 -4.2090 -4.2090 -3.4867 -3.4867 -3.4314 -3.4314 -2.5214 -2.5214 -2.3139 -2.3139 -2.0721 -2.0721 5.8056 5.8056 6.9057 6.9057 6.9871 6.9871 7.0275 7.0275 7.3112 7.3112 7.3317 7.3317 7.6954 7.6954 7.7230 7.7230 8.3486 8.3486 8.4656 8.4656 8.9199 8.9199 9.9461 9.9461 18.1867 18.1867 18.3344 18.3344 19.0171 19.0171 19.7537 19.7537 20.9429 20.9429 k = 0.3333 0.5774-0.0000 ( 2556 PWs) bands (ev): -20.7760 -20.7760 -20.7760 -20.7760 -12.2024 -12.2024 -12.1830 -12.1830 -10.9433 -10.9433 -10.0497 -10.0497 -3.9547 -3.9547 -3.6713 -3.6713 -3.0077 -3.0077 -2.8332 -2.8332 -2.4512 -2.4512 -1.9794 -1.9794 6.1163 6.1163 6.1580 6.1580 6.7874 6.7874 6.8260 6.8260 6.9290 6.9290 7.9429 7.9429 7.9739 7.9739 8.5525 8.5525 8.5812 8.5812 8.5926 8.5926 8.5953 8.5953 9.9046 9.9046 16.5701 16.5701 19.3367 19.3367 19.6773 19.6773 19.6862 19.6862 20.7375 20.7375 k = 0.3333 0.5774 0.0120 ( 2556 PWs) bands (ev): -20.7760 -20.7760 -20.7759 -20.7759 -12.2027 -12.2027 -12.1833 -12.1833 -10.9429 -10.9429 -10.0503 -10.0503 -3.9542 -3.9542 -3.6705 -3.6705 -3.0071 -3.0071 -2.8331 -2.8331 -2.4508 -2.4508 -1.9792 -1.9792 6.1150 6.1150 6.1566 6.1566 6.7866 6.7866 6.8245 6.8245 6.9296 6.9296 7.9427 7.9427 7.9740 7.9740 8.5473 8.5473 8.5699 8.5699 8.6009 8.6009 8.6043 8.6043 9.9027 9.9027 16.5728 16.5728 19.3383 19.3383 19.6796 19.6796 19.6885 19.6885 20.7390 20.7390 k = 0.3333 0.5774 0.0240 ( 2556 PWs) bands (ev): -20.7759 -20.7759 -20.7759 -20.7759 -12.2035 -12.2035 -12.1841 -12.1841 -10.9415 -10.9415 -10.0520 -10.0520 -3.9528 -3.9528 -3.6682 -3.6682 -3.0052 -3.0052 -2.8328 -2.8328 -2.4497 -2.4497 -1.9788 -1.9788 6.1112 6.1112 6.1524 6.1524 6.7842 6.7842 6.8200 6.8200 6.9312 6.9312 7.9420 7.9420 7.9743 7.9743 8.5362 8.5362 8.5549 8.5549 8.6133 8.6133 8.6206 8.6206 9.8967 9.8967 16.5811 16.5811 19.3432 19.3432 19.6863 19.6863 19.6952 19.6952 20.7436 20.7436 k = 0.3333 0.5774 0.0359 ( 2556 PWs) bands (ev): -20.7758 -20.7758 -20.7757 -20.7757 -12.2049 -12.2049 -12.1855 -12.1855 -10.9393 -10.9393 -10.0549 -10.0549 -3.9503 -3.9503 -3.6642 -3.6642 -3.0021 -3.0021 -2.8323 -2.8323 -2.4479 -2.4479 -1.9781 -1.9781 6.1049 6.1049 6.1453 6.1453 6.7800 6.7800 6.8125 6.8125 6.9343 6.9343 7.9408 7.9408 7.9747 7.9747 8.5236 8.5236 8.5402 8.5402 8.6282 8.6282 8.6373 8.6373 9.8869 9.8869 16.5949 16.5949 19.3513 19.3513 19.6975 19.6975 19.7063 19.7063 20.7514 20.7514 k = 0.3333 0.5774 0.0479 ( 2544 PWs) bands (ev): -20.7756 -20.7756 -20.7755 -20.7755 -12.2069 -12.2069 -12.1875 -12.1875 -10.9362 -10.9362 -10.0589 -10.0589 -3.9470 -3.9470 -3.6587 -3.6587 -2.9979 -2.9979 -2.8316 -2.8316 -2.4453 -2.4453 -1.9772 -1.9772 6.0961 6.0961 6.1354 6.1354 6.7738 6.7738 6.8023 6.8023 6.9391 6.9391 7.9392 7.9392 7.9754 7.9754 8.5109 8.5109 8.5263 8.5263 8.6439 8.6439 8.6542 8.6542 9.8732 9.8732 16.6143 16.6143 19.3626 19.3626 19.7128 19.7128 19.7215 19.7215 20.7622 20.7622 k = 0.3333 0.5774 0.0599 ( 2544 PWs) bands (ev): -20.7753 -20.7753 -20.7753 -20.7753 -12.2093 -12.2093 -12.1899 -12.1899 -10.9321 -10.9321 -10.0640 -10.0640 -3.9428 -3.9428 -3.6518 -3.6518 -2.9924 -2.9924 -2.8308 -2.8308 -2.4420 -2.4420 -1.9760 -1.9760 6.0848 6.0848 6.1228 6.1228 6.7653 6.7653 6.7894 6.7894 6.9459 6.9459 7.9371 7.9371 7.9764 7.9764 8.4988 8.4988 8.5133 8.5133 8.6599 8.6599 8.6709 8.6709 9.8556 9.8556 16.6391 16.6391 19.3771 19.3771 19.7320 19.7320 19.7405 19.7405 20.7760 20.7760 k = 0.3333 0.5774 0.0719 ( 2550 PWs) bands (ev): -20.7750 -20.7750 -20.7750 -20.7750 -12.2123 -12.2123 -12.1929 -12.1929 -10.9273 -10.9273 -10.0703 -10.0703 -3.9378 -3.9378 -3.6435 -3.6435 -2.9858 -2.9858 -2.8297 -2.8297 -2.4379 -2.4379 -1.9745 -1.9745 6.0709 6.0709 6.1073 6.1073 6.7544 6.7544 6.7741 6.7741 6.9551 6.9551 7.9346 7.9346 7.9776 7.9776 8.4876 8.4876 8.5013 8.5013 8.6759 8.6759 8.6874 8.6874 9.8344 9.8344 16.6693 16.6693 19.3946 19.3946 19.7548 19.7548 19.7631 19.7631 20.7929 20.7929 k = 0.3333 0.5774 0.0838 ( 2550 PWs) bands (ev): -20.7747 -20.7747 -20.7746 -20.7746 -12.2157 -12.2157 -12.1964 -12.1964 -10.9215 -10.9215 -10.0776 -10.0776 -3.9320 -3.9320 -3.6339 -3.6339 -2.9782 -2.9782 -2.8285 -2.8285 -2.4331 -2.4331 -1.9727 -1.9727 6.0545 6.0545 6.0891 6.0891 6.7412 6.7412 6.7566 6.7566 6.9667 6.9667 7.9316 7.9316 7.9791 7.9791 8.4774 8.4774 8.4904 8.4904 8.6917 8.6917 8.7037 8.7037 9.8095 9.8095 16.7049 16.7049 19.4152 19.4152 19.7807 19.7807 19.7887 19.7887 20.8128 20.8128 k = 0.3333 0.5774 0.0958 ( 2556 PWs) bands (ev): -20.7743 -20.7743 -20.7743 -20.7743 -12.2196 -12.2196 -12.2003 -12.2003 -10.9149 -10.9149 -10.0860 -10.0860 -3.9256 -3.9256 -3.6231 -3.6231 -2.9695 -2.9695 -2.8270 -2.8270 -2.4276 -2.4276 -1.9707 -1.9707 6.0357 6.0357 6.0683 6.0683 6.7258 6.7258 6.7373 6.7373 6.9808 6.9808 7.9281 7.9281 7.9810 7.9810 8.4683 8.4683 8.4806 8.4806 8.7071 8.7071 8.7195 8.7195 9.7811 9.7811 16.7458 16.7458 19.4387 19.4387 19.8094 19.8094 19.8169 19.8169 20.8355 20.8355 k = 0.3333 0.5774 0.1078 ( 2556 PWs) bands (ev): -20.7739 -20.7739 -20.7738 -20.7738 -12.2239 -12.2239 -12.2046 -12.2046 -10.9074 -10.9074 -10.0955 -10.0955 -3.9185 -3.9185 -3.6113 -3.6113 -2.9599 -2.9599 -2.8253 -2.8253 -2.4214 -2.4214 -1.9684 -1.9684 6.0143 6.0143 6.0448 6.0448 6.7087 6.7087 6.7163 6.7163 6.9972 6.9972 7.9242 7.9242 7.9833 7.9833 8.4604 8.4604 8.4720 8.4720 8.7222 8.7222 8.7349 8.7349 9.7493 9.7493 16.7921 16.7921 19.4651 19.4651 19.8403 19.8403 19.8473 19.8473 20.8611 20.8611 k = 0.3333 0.5774 0.1198 ( 2556 PWs) bands (ev): -20.7734 -20.7734 -20.7734 -20.7734 -12.2286 -12.2286 -12.2092 -12.2092 -10.8991 -10.8991 -10.1059 -10.1059 -3.9110 -3.9110 -3.5985 -3.5985 -2.9494 -2.9494 -2.8234 -2.8234 -2.4145 -2.4145 -1.9658 -1.9658 5.9906 5.9906 6.0188 6.0188 6.6900 6.6900 6.6942 6.6942 7.0160 7.0160 7.9199 7.9199 7.9861 7.9861 8.4538 8.4538 8.4646 8.4646 8.7367 8.7367 8.7498 8.7498 9.7143 9.7143 16.8436 16.8436 19.4943 19.4943 19.8730 19.8730 19.8793 19.8793 20.8892 20.8892 k = 0.3333 0.5774 0.1317 ( 2553 PWs) bands (ev): -20.7729 -20.7729 -20.7729 -20.7729 -12.2335 -12.2335 -12.2142 -12.2142 -10.8899 -10.8899 -10.1173 -10.1173 -3.9031 -3.9031 -3.5849 -3.5849 -2.9383 -2.9383 -2.8211 -2.8211 -2.4069 -2.4069 -1.9630 -1.9630 5.9645 5.9645 5.9904 5.9904 6.6701 6.6701 6.6711 6.6711 7.0370 7.0370 7.9151 7.9151 7.9895 7.9895 8.4482 8.4482 8.4583 8.4583 8.7507 8.7507 8.7641 8.7641 9.6762 9.6762 16.9002 16.9002 19.5261 19.5261 19.9069 19.9069 19.9125 19.9125 20.9197 20.9197 k = 0.3333 0.5774 0.1437 ( 2553 PWs) bands (ev): -20.7724 -20.7724 -20.7724 -20.7724 -12.2387 -12.2387 -12.2194 -12.2194 -10.8800 -10.8800 -10.1297 -10.1297 -3.8948 -3.8948 -3.5706 -3.5706 -2.9266 -2.9266 -2.8185 -2.8185 -2.3987 -2.3987 -1.9599 -1.9599 5.9362 5.9362 5.9597 5.9597 6.6475 6.6475 6.6495 6.6495 7.0600 7.0600 7.9099 7.9099 7.9935 7.9935 8.4439 8.4439 8.4531 8.4531 8.7641 8.7641 8.7778 8.7778 9.6352 9.6352 16.9620 16.9620 19.5604 19.5604 19.9416 19.9416 19.9463 19.9463 20.9522 20.9522 k = 0.3333 0.5774 0.1557 ( 2559 PWs) bands (ev): -20.7719 -20.7719 -20.7718 -20.7718 -12.2442 -12.2442 -12.2249 -12.2249 -10.8692 -10.8692 -10.1430 -10.1430 -3.8864 -3.8864 -3.5559 -3.5559 -2.9146 -2.9146 -2.8154 -2.8154 -2.3898 -2.3898 -1.9566 -1.9566 5.9058 5.9058 5.9270 5.9270 6.6237 6.6237 6.6283 6.6283 7.0849 7.0849 7.9044 7.9044 7.9981 7.9981 8.4406 8.4406 8.4489 8.4489 8.7769 8.7769 8.7909 8.7909 9.5914 9.5914 17.0287 17.0287 19.5971 19.5971 19.9767 19.9767 19.9803 19.9803 20.9853 20.9853 k = 0.3333 0.5774 0.1677 ( 2553 PWs) bands (ev): -20.7713 -20.7713 -20.7713 -20.7713 -12.2498 -12.2498 -12.2305 -12.2305 -10.8577 -10.8577 -10.1571 -10.1571 -3.8778 -3.8778 -3.5408 -3.5408 -2.9025 -2.9025 -2.8118 -2.8118 -2.3804 -2.3804 -1.9530 -1.9530 5.8735 5.8735 5.8924 5.8924 6.6000 6.6000 6.6071 6.6071 7.1117 7.1117 7.8984 7.8984 8.0036 8.0036 8.4383 8.4383 8.4458 8.4458 8.7890 8.7890 8.8034 8.8034 9.5451 9.5451 17.1004 17.1004 19.6361 19.6361 20.0117 20.0117 20.0141 20.0141 21.0161 21.0161 k = 0.3333 0.5774 0.1796 ( 2553 PWs) bands (ev): -20.7707 -20.7707 -20.7707 -20.7707 -12.2555 -12.2555 -12.2362 -12.2362 -10.8454 -10.8454 -10.1720 -10.1720 -3.8691 -3.8691 -3.5255 -3.5255 -2.8906 -2.8906 -2.8074 -2.8074 -2.3705 -2.3705 -1.9492 -1.9492 5.8396 5.8396 5.8563 5.8563 6.5767 6.5767 6.5859 6.5859 7.1400 7.1400 7.8920 7.8920 8.0100 8.0100 8.4369 8.4369 8.4435 8.4435 8.8005 8.8005 8.8152 8.8152 9.4965 9.4965 17.1769 17.1769 19.6771 19.6771 20.0463 20.0463 20.0474 20.0474 21.0474 21.0474 k = 0.3333 0.5774 0.1916 ( 2553 PWs) bands (ev): -20.7701 -20.7701 -20.7701 -20.7701 -12.2613 -12.2613 -12.2420 -12.2420 -10.8324 -10.8324 -10.1877 -10.1877 -3.8605 -3.8605 -3.5101 -3.5101 -2.8793 -2.8793 -2.8019 -2.8019 -2.3601 -2.3601 -1.9453 -1.9453 5.8044 5.8044 5.8190 5.8190 6.5540 6.5540 6.5650 6.5650 7.1698 7.1698 7.8853 7.8853 8.0174 8.0174 8.4363 8.4363 8.4420 8.4420 8.8113 8.8113 8.8263 8.8263 9.4456 9.4456 17.2581 17.2581 19.7200 19.7200 20.0798 20.0798 20.0801 20.0801 21.0787 21.0787 k = 0.3333 0.5774 0.2036 ( 2553 PWs) bands (ev): -20.7696 -20.7696 -20.7695 -20.7695 -12.2671 -12.2671 -12.2479 -12.2479 -10.8186 -10.8186 -10.2041 -10.2041 -3.8521 -3.8521 -3.4948 -3.4948 -2.8690 -2.8690 -2.7953 -2.7953 -2.3493 -2.3493 -1.9411 -1.9411 5.7681 5.7681 5.7808 5.7808 6.5321 6.5321 6.5448 6.5448 7.2009 7.2009 7.8782 7.8782 8.0260 8.0260 8.4364 8.4364 8.4412 8.4412 8.8215 8.8215 8.8368 8.8368 9.3929 9.3929 17.3440 17.3440 19.7647 19.7647 20.1111 20.1111 20.1129 20.1129 21.1096 21.1096 k = 0.3333 0.5774 0.2156 ( 2550 PWs) bands (ev): -20.7690 -20.7690 -20.7689 -20.7689 -12.2729 -12.2729 -12.2536 -12.2536 -10.8042 -10.8042 -10.2212 -10.2212 -3.8438 -3.8438 -3.4798 -3.4798 -2.8600 -2.8600 -2.7873 -2.7873 -2.3383 -2.3383 -1.9368 -1.9368 5.7312 5.7312 5.7421 5.7421 6.5111 6.5111 6.5253 6.5253 7.2330 7.2330 7.8707 7.8707 8.0359 8.0359 8.4372 8.4372 8.4411 8.4411 8.8310 8.8310 8.8466 8.8466 9.3384 9.3384 17.4344 17.4344 19.8107 19.8107 20.1411 20.1411 20.1444 20.1444 21.1396 21.1396 k = 0.3333 0.5774 0.2275 ( 2544 PWs) bands (ev): -20.7684 -20.7684 -20.7683 -20.7683 -12.2786 -12.2786 -12.2593 -12.2593 -10.7891 -10.7891 -10.2390 -10.2390 -3.8358 -3.8358 -3.4652 -3.4652 -2.8525 -2.8525 -2.7779 -2.7779 -2.3270 -2.3270 -1.9324 -1.9324 5.6940 5.6940 5.7033 5.7033 6.4913 6.4913 6.5066 6.5066 7.2659 7.2659 7.8629 7.8629 8.0473 8.0473 8.4384 8.4384 8.4414 8.4414 8.8398 8.8398 8.8557 8.8557 9.2824 9.2824 17.5293 17.5293 19.8579 19.8579 20.1697 20.1697 20.1745 20.1745 21.1684 21.1684 k = 0.3333 0.5774 0.2395 ( 2553 PWs) bands (ev): -20.7678 -20.7678 -20.7678 -20.7678 -12.2841 -12.2841 -12.2649 -12.2649 -10.7734 -10.7734 -10.2573 -10.2573 -3.8281 -3.8281 -3.4511 -3.4511 -2.8464 -2.8464 -2.7674 -2.7674 -2.3157 -2.3157 -1.9279 -1.9279 5.6570 5.6570 5.6648 5.6648 6.4726 6.4726 6.4889 6.4889 7.2994 7.2994 7.8546 7.8546 8.0603 8.0603 8.4400 8.4400 8.4421 8.4421 8.8479 8.8479 8.8642 8.8642 9.2251 9.2251 17.6285 17.6285 19.9056 19.9056 20.1967 20.1967 20.2030 20.2030 21.1957 21.1957 k = 0.3333 0.5774 0.2515 ( 2565 PWs) bands (ev): -20.7673 -20.7673 -20.7672 -20.7672 -12.2895 -12.2895 -12.2703 -12.2703 -10.7570 -10.7570 -10.2761 -10.2761 -3.8208 -3.8208 -3.4376 -3.4376 -2.8415 -2.8415 -2.7562 -2.7562 -2.3044 -2.3044 -1.9233 -1.9233 5.6206 5.6206 5.6270 5.6270 6.4552 6.4552 6.4723 6.4723 7.3332 7.3332 7.8460 7.8460 8.0753 8.0753 8.4418 8.4418 8.4432 8.4432 8.8554 8.8554 8.8720 8.8720 9.1667 9.1667 17.7319 17.7319 19.9534 19.9534 20.2220 20.2220 20.2298 20.2298 21.2204 21.2204 k = 0.3333 0.5774 0.2635 ( 2565 PWs) bands (ev): -20.7668 -20.7668 -20.7667 -20.7667 -12.2946 -12.2946 -12.2754 -12.2754 -10.7401 -10.7401 -10.2954 -10.2954 -3.8140 -3.8140 -3.4249 -3.4249 -2.8375 -2.8375 -2.7446 -2.7446 -2.2933 -2.2933 -1.9188 -1.9188 5.5852 5.5852 5.5904 5.5904 6.4392 6.4392 6.4569 6.4569 7.3670 7.3670 7.8370 7.8370 8.0923 8.0923 8.4439 8.4439 8.4445 8.4445 8.8621 8.8621 8.8792 8.8792 9.1076 9.1076 17.8395 17.8395 20.0000 20.0000 20.2456 20.2456 20.2547 20.2547 21.1099 21.1099 k = 0.3333 0.5774 0.2755 ( 2559 PWs) bands (ev): -20.7663 -20.7663 -20.7662 -20.7662 -12.2994 -12.2994 -12.2802 -12.2802 -10.7226 -10.7226 -10.3151 -10.3151 -3.8076 -3.8076 -3.4129 -3.4129 -2.8343 -2.8343 -2.7330 -2.7330 -2.2825 -2.2825 -1.9144 -1.9144 5.5512 5.5512 5.5555 5.5555 6.4244 6.4244 6.4427 6.4427 7.4004 7.4004 7.8276 7.8276 8.1117 8.1117 8.4459 8.4459 8.4461 8.4461 8.8681 8.8681 8.8857 8.8857 9.0481 9.0481 17.9510 17.9510 20.0436 20.0436 20.2673 20.2673 20.2777 20.2777 20.9550 20.9550 k = 0.3333 0.5774 0.2874 ( 2553 PWs) bands (ev): -20.7658 -20.7658 -20.7658 -20.7658 -12.3039 -12.3039 -12.2847 -12.2847 -10.7046 -10.7046 -10.3352 -10.3352 -3.8017 -3.8017 -3.4019 -3.4019 -2.8317 -2.8317 -2.7217 -2.7217 -2.2722 -2.2722 -1.9100 -1.9100 5.5191 5.5191 5.5225 5.5225 6.4111 6.4111 6.4297 6.4297 7.4333 7.4333 7.8178 7.8178 8.1337 8.1337 8.4475 8.4475 8.4484 8.4484 8.8731 8.8731 8.8916 8.8916 8.9886 8.9886 18.0663 18.0663 20.0804 20.0804 20.2872 20.2872 20.2985 20.2985 20.8094 20.8094 k = 0.3333 0.5774 0.2994 ( 2550 PWs) bands (ev): -20.7654 -20.7654 -20.7653 -20.7653 -12.3081 -12.3081 -12.2888 -12.2888 -10.6861 -10.6861 -10.3557 -10.3557 -3.7964 -3.7964 -3.3919 -3.3919 -2.8295 -2.8295 -2.7110 -2.7110 -2.2624 -2.2624 -1.9059 -1.9059 5.4892 5.4892 5.4918 5.4918 6.3991 6.3991 6.4181 6.4181 7.4651 7.4651 7.8076 7.8076 8.1585 8.1585 8.4491 8.4491 8.4506 8.4506 8.8757 8.8757 8.8969 8.8969 8.9307 8.9307 18.1854 18.1854 20.1025 20.1025 20.3052 20.3052 20.3171 20.3171 20.6812 20.6812 k = 0.3333 0.5774 0.3114 ( 2550 PWs) bands (ev): -20.7650 -20.7650 -20.7649 -20.7649 -12.3118 -12.3118 -12.2926 -12.2926 -10.6671 -10.6671 -10.3764 -10.3764 -3.7916 -3.7916 -3.3830 -3.3830 -2.8277 -2.8277 -2.7012 -2.7012 -2.2534 -2.2534 -1.9021 -1.9021 5.4620 5.4620 5.4639 5.4639 6.3886 6.3886 6.4077 6.4077 7.4955 7.4955 7.7970 7.7970 8.1862 8.1862 8.4506 8.4506 8.4527 8.4527 8.8578 8.8578 8.8930 8.8930 8.9016 8.9016 18.3081 18.3081 20.0947 20.0947 20.3211 20.3211 20.3333 20.3333 20.5859 20.5859 k = 0.3333 0.5774 0.3234 ( 2556 PWs) bands (ev): -20.7646 -20.7646 -20.7646 -20.7646 -12.3151 -12.3151 -12.2959 -12.2959 -10.6477 -10.6477 -10.3973 -10.3973 -3.7874 -3.7874 -3.3751 -3.3751 -2.8263 -2.8263 -2.6923 -2.6923 -2.2453 -2.2453 -1.8986 -1.8986 5.4376 5.4376 5.4390 5.4390 6.3794 6.3794 6.3987 6.3987 7.5243 7.5243 7.7860 7.7860 8.2170 8.2170 8.4520 8.4520 8.4546 8.4546 8.8037 8.8037 8.8912 8.8912 8.9056 8.9056 18.4341 18.4341 20.0400 20.0400 20.3351 20.3351 20.3475 20.3475 20.5399 20.5399 k = 0.3333 0.5774 0.3353 ( 2556 PWs) bands (ev): -20.7643 -20.7643 -20.7643 -20.7643 -12.3180 -12.3180 -12.2988 -12.2988 -10.6280 -10.6280 -10.4184 -10.4184 -3.7839 -3.7839 -3.3684 -3.3684 -2.8251 -2.8251 -2.6846 -2.6846 -2.2382 -2.2382 -1.8955 -1.8955 5.4165 5.4165 5.4174 5.4174 6.3716 6.3716 6.3910 6.3910 7.5510 7.5510 7.7747 7.7747 8.2509 8.2509 8.4533 8.4533 8.4563 8.4563 8.7458 8.7458 8.8933 8.8933 8.9089 8.9089 18.5635 18.5635 19.9411 19.9411 20.3470 20.3470 20.3602 20.3602 20.5402 20.5402 k = 0.3333 0.5774 0.3473 ( 2559 PWs) bands (ev): -20.7641 -20.7641 -20.7641 -20.7641 -12.3203 -12.3203 -12.3011 -12.3011 -10.6079 -10.6079 -10.4396 -10.4396 -3.7809 -3.7809 -3.3629 -3.3629 -2.8241 -2.8241 -2.6782 -2.6782 -2.2322 -2.2322 -1.8928 -1.8928 5.3989 5.3989 5.3994 5.3994 6.3653 6.3653 6.3847 6.3847 7.5753 7.5753 7.7634 7.7634 8.2880 8.2880 8.4544 8.4544 8.4578 8.4578 8.6883 8.6883 8.8956 8.8956 8.9117 8.9117 18.6959 18.6959 19.8162 19.8162 20.3567 20.3567 20.3710 20.3710 20.5688 20.5688 k = 0.3333 0.5774 0.3593 ( 2559 PWs) bands (ev): -20.7639 -20.7639 -20.7639 -20.7639 -12.3222 -12.3222 -12.3030 -12.3030 -10.5876 -10.5876 -10.4608 -10.4608 -3.7787 -3.7787 -3.3586 -3.3586 -2.8234 -2.8234 -2.6731 -2.6731 -2.2274 -2.2274 -1.8907 -1.8907 5.3849 5.3849 5.3852 5.3852 6.3604 6.3604 6.3798 6.3798 7.5966 7.5966 7.7523 7.7523 8.3280 8.3280 8.4552 8.4552 8.4590 8.4590 8.6319 8.6319 8.8974 8.8974 8.9139 8.9139 18.8311 18.8311 19.6794 19.6794 20.3644 20.3644 20.3796 20.3796 20.6120 20.6120 k = 0.3333 0.5774 0.3713 ( 2565 PWs) bands (ev): -20.7638 -20.7638 -20.7637 -20.7637 -12.3235 -12.3235 -12.3043 -12.3043 -10.5670 -10.5670 -10.4819 -10.4819 -3.7770 -3.7770 -3.3555 -3.3555 -2.8229 -2.8229 -2.6694 -2.6694 -2.2239 -2.2239 -1.8892 -1.8892 5.3748 5.3748 5.3749 5.3749 6.3568 6.3568 6.3763 6.3763 7.6140 7.6140 7.7422 7.7422 8.3706 8.3706 8.4559 8.4559 8.4600 8.4600 8.5774 8.5774 8.8988 8.8988 8.9154 8.9154 18.9690 18.9690 19.5376 19.5376 20.3698 20.3698 20.3857 20.3857 20.6625 20.6625 k = 0.3333 0.5774 0.3832 ( 2559 PWs) bands (ev): -20.7637 -20.7637 -20.7636 -20.7636 -12.3243 -12.3243 -12.3051 -12.3051 -10.5465 -10.5465 -10.5029 -10.5029 -3.7760 -3.7760 -3.3536 -3.3536 -2.8226 -2.8226 -2.6671 -2.6671 -2.2218 -2.2218 -1.8882 -1.8882 5.3687 5.3687 5.3687 5.3687 6.3547 6.3547 6.3742 6.3742 7.6259 7.6259 7.7348 7.7348 8.4140 8.4140 8.4563 8.4563 8.4613 8.4613 8.5262 8.5262 8.8996 8.8996 8.9163 8.9163 19.1091 19.1091 19.3943 19.3943 20.3731 20.3731 20.3894 20.3894 20.7154 20.7154 k = 0.3333 0.5774 0.3952 ( 2568 PWs) bands (ev): -20.7636 -20.7636 -20.7636 -20.7636 -12.3246 -12.3246 -12.3054 -12.3054 -10.5302 -10.5302 -10.5192 -10.5192 -3.7757 -3.7757 -3.3530 -3.3530 -2.8225 -2.8225 -2.6664 -2.6664 -2.2211 -2.2211 -1.8879 -1.8879 5.3666 5.3666 5.3667 5.3667 6.3540 6.3540 6.3735 6.3735 7.6303 7.6303 7.7319 7.7319 8.4417 8.4417 8.4564 8.4564 8.4659 8.4659 8.4917 8.4917 8.8999 8.8999 8.9166 8.9166 19.2497 19.2497 19.2524 19.2524 20.3742 20.3742 20.3906 20.3906 20.7512 20.7512 Writing output data file SrF2.save init_run : 0.18s CPU 0.37s WALL ( 1 calls) electrons : 132.99s CPU 135.70s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.08s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 132.99s CPU 135.68s 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 : 0.03s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 368 calls) cegterg : 123.22s CPU 125.02s WALL ( 391 calls) Called by sum_band: Called by *egterg: h_psi : 63.14s CPU 64.53s WALL ( 7081 calls) s_psi : 3.44s CPU 3.40s WALL ( 7081 calls) g_psi : 0.18s CPU 0.15s WALL ( 6322 calls) cdiaghg : 53.02s CPU 53.19s WALL ( 6690 calls) cegterg:over : 4.60s CPU 4.74s WALL ( 6322 calls) cegterg:upda : 2.80s CPU 3.14s WALL ( 6322 calls) cegterg:last : 2.18s CPU 2.21s WALL ( 1127 calls) cdiaghg:chol : 2.80s CPU 2.86s WALL ( 6690 calls) cdiaghg:inve : 2.02s CPU 2.06s WALL ( 6690 calls) cdiaghg:para : 3.14s CPU 3.28s WALL ( 13380 calls) Called by h_psi: h_psi:vloc : 54.78s CPU 56.08s WALL ( 7081 calls) h_psi:vnl : 8.22s CPU 8.30s WALL ( 7081 calls) add_vuspsi : 4.12s CPU 4.11s WALL ( 7081 calls) General routines calbec : 4.08s CPU 4.18s WALL ( 7081 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 51.49s CPU 52.53s WALL ( 845704 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.17s WALL ( 736 calls) Parallel routines fft_scatter : 18.79s CPU 19.30s WALL ( 845727 calls) PWSCF : 2m28.09s CPU 2m47.79s WALL This run was terminated on: 18: 1: 9 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=