Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:56: 8 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: ./BaCdGe.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D 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 96 22 6 9202 1054 162 Max 97 23 7 9215 1081 171 Sum 3463 823 241 331385 38331 6049 bravais-lattice index = 14 lattice parameter (alat) = 8.8836 a.u. unit-cell volume = 1214.3053 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 38.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.883602 celldm(2)= 1.000000 celldm(3)= 2.000000 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 2.000000 ) 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 0.500000 ) PseudoPot. # 1 for Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 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 Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 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 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 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 Ge 4.00 72.64000 Ge( 1.00) Ba 10.00 137.32700 Ba( 1.00) Cd 12.00 112.41100 Cd( 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 ) ( 1.0000000 ) 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 ) ( -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) 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 ) ( 1.0000000 ) 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 ) ( 1.0000000 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) 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 ) ( -1.0000000 ) 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 ) ( -1.0000000 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) 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 ) ( -1.0000000 ) 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 ) ( 1.0000000 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) 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 ) ( -1.0000000 ) 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 ) ( -1.0000000 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) 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 ) ( 1.0000000 ) 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 ) ( 1.0000000 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_6h(6/mmm) there are 18 classes and 6 irreducible representations the character table: E -E 2C6 -2C6 2C3 -2C3 C2 3C2' 3C2'' i -i 2S3 -C2 -3C2' -3C2' G_7+ 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 1.73 G_8+ 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 -1.73 G_9+ 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 2.00 -2.00 0.00 G_7- 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 -1.73 G_8- 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 1.73 G_9- 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 -2.00 2.00 0.00 -2S3 2S6 -2S6 s_h 3s_v 3s_d -s_h -3s_v -3s_d G_7+ -1.73 1.00 -1.00 0.00 0.00 0.00 G_8+ 1.73 1.00 -1.00 0.00 0.00 0.00 G_9+ 0.00 -2.00 2.00 0.00 0.00 0.00 G_7- 1.73 -1.00 1.00 0.00 0.00 0.00 G_8- -1.73 -1.00 1.00 0.00 0.00 0.00 G_9- 0.00 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C6 5 6 60 deg rotation - cryst. axis [0,0,1] -2C6 -5 -6 60 deg rotation - cryst. axis [0,0,1] E 2C3 7 8 120 deg rotation - cryst. axis [0,0,1] -2C3 -7 -8 120 deg rotation - cryst. axis [0,0,1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 3C2'-3C2' 4 -4 12 -11 11 -12 180 deg rotation - cart. axis [1,0,0] 3C2''-3C2' 3 -3 9 10 -10 -9 180 deg rotation - cart. axis [0,1,0] i 13 inversion -i -13 inversion E 2S3 17 18 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -17 -18 inv. 60 deg rotation - cryst. axis [0,0,1] E 2S6 19 20 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -19 -20 inv. 120 deg rotation - cryst. axis [0,0,1] E s_h -s_h 14 -14 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 16 -16 24 -23 23 -24 inv. 180 deg rotation - cart. axis [1,0,0] 3s_d-3s_d 15 -15 21 22 -22 -21 inv. 180 deg rotation - cart. axis [0,1,0] Cartesian axes number of k points= 274 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 2) = ( 0.0128205 0.0074019 -0.0000000), wk = 0.0036496 k( 3) = ( 0.0256410 0.0148039 -0.0000000), wk = 0.0036496 k( 4) = ( 0.0384615 0.0222058 -0.0000000), wk = 0.0036496 k( 5) = ( 0.0512821 0.0296077 -0.0000000), wk = 0.0036496 k( 6) = ( 0.0641026 0.0370096 -0.0000000), wk = 0.0036496 k( 7) = ( 0.0769231 0.0444116 -0.0000000), wk = 0.0036496 k( 8) = ( 0.0897436 0.0518135 -0.0000000), wk = 0.0036496 k( 9) = ( 0.1025641 0.0592154 -0.0000000), wk = 0.0036496 k( 10) = ( 0.1153846 0.0666173 -0.0000000), wk = 0.0036496 k( 11) = ( 0.1282051 0.0740193 -0.0000000), wk = 0.0036496 k( 12) = ( 0.1410256 0.0814212 -0.0000000), wk = 0.0036496 k( 13) = ( 0.1538461 0.0888231 -0.0000000), wk = 0.0036496 k( 14) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0036496 k( 15) = ( 0.1794872 0.1036270 -0.0000000), wk = 0.0036496 k( 16) = ( 0.1923077 0.1110289 -0.0000000), wk = 0.0036496 k( 17) = ( 0.2051282 0.1184308 -0.0000000), wk = 0.0036496 k( 18) = ( 0.2179487 0.1258328 -0.0000000), wk = 0.0036496 k( 19) = ( 0.2307692 0.1332347 -0.0000000), wk = 0.0036496 k( 20) = ( 0.2435897 0.1406366 -0.0000000), wk = 0.0036496 k( 21) = ( 0.2564103 0.1480385 -0.0000000), wk = 0.0036496 k( 22) = ( 0.2692308 0.1554405 -0.0000000), wk = 0.0036496 k( 23) = ( 0.2820513 0.1628424 -0.0000000), wk = 0.0036496 k( 24) = ( 0.2948718 0.1702443 -0.0000000), wk = 0.0036496 k( 25) = ( 0.3076923 0.1776462 -0.0000000), wk = 0.0036496 k( 26) = ( 0.3205128 0.1850482 -0.0000000), wk = 0.0036496 k( 27) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0036496 k( 28) = ( 0.3461538 0.1998520 -0.0000000), wk = 0.0036496 k( 29) = ( 0.3589744 0.2072539 -0.0000000), wk = 0.0036496 k( 30) = ( 0.3717949 0.2146559 -0.0000000), wk = 0.0036496 k( 31) = ( 0.3846154 0.2220578 -0.0000000), wk = 0.0036496 k( 32) = ( 0.3974359 0.2294597 -0.0000000), wk = 0.0036496 k( 33) = ( 0.4102564 0.2368616 -0.0000000), wk = 0.0036496 k( 34) = ( 0.4230769 0.2442636 -0.0000000), wk = 0.0036496 k( 35) = ( 0.4358974 0.2516655 -0.0000000), wk = 0.0036496 k( 36) = ( 0.4487179 0.2590674 -0.0000000), wk = 0.0036496 k( 37) = ( 0.4615385 0.2664694 -0.0000000), wk = 0.0036496 k( 38) = ( 0.4743590 0.2738713 -0.0000000), wk = 0.0036496 k( 39) = ( 0.4871795 0.2812732 -0.0000000), wk = 0.0036496 k( 40) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0036496 k( 41) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0036496 k( 42) = ( 0.4927536 0.3012262 -0.0000000), wk = 0.0036496 k( 43) = ( 0.4855073 0.3137773 -0.0000000), wk = 0.0036496 k( 44) = ( 0.4782609 0.3263284 -0.0000000), wk = 0.0036496 k( 45) = ( 0.4710145 0.3388795 -0.0000000), wk = 0.0036496 k( 46) = ( 0.4637681 0.3514306 -0.0000000), wk = 0.0036496 k( 47) = ( 0.4565217 0.3639817 -0.0000000), wk = 0.0036496 k( 48) = ( 0.4492754 0.3765328 -0.0000000), wk = 0.0036496 k( 49) = ( 0.4420290 0.3890839 -0.0000000), wk = 0.0036496 k( 50) = ( 0.4347826 0.4016350 -0.0000000), wk = 0.0036496 k( 51) = ( 0.4275362 0.4141861 -0.0000000), wk = 0.0036496 k( 52) = ( 0.4202899 0.4267372 -0.0000000), wk = 0.0036496 k( 53) = ( 0.4130435 0.4392882 -0.0000000), wk = 0.0036496 k( 54) = ( 0.4057971 0.4518393 -0.0000000), wk = 0.0036496 k( 55) = ( 0.3985507 0.4643904 -0.0000000), wk = 0.0036496 k( 56) = ( 0.3913044 0.4769415 -0.0000000), wk = 0.0036496 k( 57) = ( 0.3840580 0.4894926 -0.0000000), wk = 0.0036496 k( 58) = ( 0.3768116 0.5020437 -0.0000000), wk = 0.0036496 k( 59) = ( 0.3695652 0.5145948 -0.0000000), wk = 0.0036496 k( 60) = ( 0.3623188 0.5271459 -0.0000000), wk = 0.0036496 k( 61) = ( 0.3550725 0.5396970 -0.0000000), wk = 0.0036496 k( 62) = ( 0.3478261 0.5522481 -0.0000000), wk = 0.0036496 k( 63) = ( 0.3405797 0.5647992 -0.0000000), wk = 0.0036496 k( 64) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0036496 k( 65) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0036496 k( 66) = ( 0.3259259 0.5645203 -0.0000000), wk = 0.0036496 k( 67) = ( 0.3185185 0.5516903 -0.0000000), wk = 0.0036496 k( 68) = ( 0.3111111 0.5388602 -0.0000000), wk = 0.0036496 k( 69) = ( 0.3037037 0.5260302 -0.0000000), wk = 0.0036496 k( 70) = ( 0.2962963 0.5132002 -0.0000000), wk = 0.0036496 k( 71) = ( 0.2888889 0.5003702 -0.0000000), wk = 0.0036496 k( 72) = ( 0.2814815 0.4875402 -0.0000000), wk = 0.0036496 k( 73) = ( 0.2740741 0.4747102 -0.0000000), wk = 0.0036496 k( 74) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0036496 k( 75) = ( 0.2592593 0.4490502 -0.0000000), wk = 0.0036496 k( 76) = ( 0.2518518 0.4362202 -0.0000000), wk = 0.0036496 k( 77) = ( 0.2444444 0.4233902 -0.0000000), wk = 0.0036496 k( 78) = ( 0.2370370 0.4105602 -0.0000000), wk = 0.0036496 k( 79) = ( 0.2296296 0.3977302 -0.0000000), wk = 0.0036496 k( 80) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0036496 k( 81) = ( 0.2148148 0.3720702 -0.0000000), wk = 0.0036496 k( 82) = ( 0.2074074 0.3592402 -0.0000000), wk = 0.0036496 k( 83) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0036496 k( 84) = ( 0.1925926 0.3335802 -0.0000000), wk = 0.0036496 k( 85) = ( 0.1851852 0.3207502 -0.0000000), wk = 0.0036496 k( 86) = ( 0.1777778 0.3079201 -0.0000000), wk = 0.0036496 k( 87) = ( 0.1703704 0.2950901 -0.0000000), wk = 0.0036496 k( 88) = ( 0.1629630 0.2822601 -0.0000000), wk = 0.0036496 k( 89) = ( 0.1555556 0.2694301 -0.0000000), wk = 0.0036496 k( 90) = ( 0.1481482 0.2566001 -0.0000000), wk = 0.0036496 k( 91) = ( 0.1407407 0.2437701 -0.0000000), wk = 0.0036496 k( 92) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0036496 k( 93) = ( 0.1259259 0.2181101 -0.0000000), wk = 0.0036496 k( 94) = ( 0.1185185 0.2052801 -0.0000000), wk = 0.0036496 k( 95) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0036496 k( 96) = ( 0.1037037 0.1796201 -0.0000000), wk = 0.0036496 k( 97) = ( 0.0962963 0.1667901 -0.0000000), wk = 0.0036496 k( 98) = ( 0.0888889 0.1539601 -0.0000000), wk = 0.0036496 k( 99) = ( 0.0814815 0.1411301 -0.0000000), wk = 0.0036496 k( 100) = ( 0.0740741 0.1283001 -0.0000000), wk = 0.0036496 k( 101) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0036496 k( 102) = ( 0.0592593 0.1026400 -0.0000000), wk = 0.0036496 k( 103) = ( 0.0518518 0.0898100 -0.0000000), wk = 0.0036496 k( 104) = ( 0.0444444 0.0769800 -0.0000000), wk = 0.0036496 k( 105) = ( 0.0370370 0.0641500 -0.0000000), wk = 0.0036496 k( 106) = ( 0.0296296 0.0513200 -0.0000000), wk = 0.0036496 k( 107) = ( 0.0222222 0.0384900 -0.0000000), wk = 0.0036496 k( 108) = ( 0.0148148 0.0256600 -0.0000000), wk = 0.0036496 k( 109) = ( 0.0074074 0.0128300 -0.0000000), wk = 0.0036496 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 112) = ( 0.0000000 0.0000000 0.0147059), wk = 0.0036496 k( 113) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0036496 k( 114) = ( 0.0000000 0.0000000 0.0441176), wk = 0.0036496 k( 115) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0036496 k( 116) = ( 0.0000000 0.0000000 0.0735294), wk = 0.0036496 k( 117) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0036496 k( 118) = ( 0.0000000 0.0000000 0.1029412), wk = 0.0036496 k( 119) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0036496 k( 120) = ( 0.0000000 0.0000000 0.1323529), wk = 0.0036496 k( 121) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0036496 k( 122) = ( 0.0000000 0.0000000 0.1617647), wk = 0.0036496 k( 123) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0036496 k( 124) = ( 0.0000000 0.0000000 0.1911765), wk = 0.0036496 k( 125) = ( 0.0000000 0.0000000 0.2058824), wk = 0.0036496 k( 126) = ( 0.0000000 0.0000000 0.2205882), wk = 0.0036496 k( 127) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0036496 k( 128) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0036496 k( 129) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0036496 k( 130) = ( 0.0128205 0.0074019 0.2500000), wk = 0.0036496 k( 131) = ( 0.0256410 0.0148039 0.2500000), wk = 0.0036496 k( 132) = ( 0.0384615 0.0222058 0.2500000), wk = 0.0036496 k( 133) = ( 0.0512821 0.0296077 0.2500000), wk = 0.0036496 k( 134) = ( 0.0641026 0.0370096 0.2500000), wk = 0.0036496 k( 135) = ( 0.0769231 0.0444116 0.2500000), wk = 0.0036496 k( 136) = ( 0.0897436 0.0518135 0.2500000), wk = 0.0036496 k( 137) = ( 0.1025641 0.0592154 0.2500000), wk = 0.0036496 k( 138) = ( 0.1153846 0.0666173 0.2500000), wk = 0.0036496 k( 139) = ( 0.1282051 0.0740193 0.2500000), wk = 0.0036496 k( 140) = ( 0.1410256 0.0814212 0.2500000), wk = 0.0036496 k( 141) = ( 0.1538461 0.0888231 0.2500000), wk = 0.0036496 k( 142) = ( 0.1666667 0.0962250 0.2500000), wk = 0.0036496 k( 143) = ( 0.1794872 0.1036270 0.2500000), wk = 0.0036496 k( 144) = ( 0.1923077 0.1110289 0.2500000), wk = 0.0036496 k( 145) = ( 0.2051282 0.1184308 0.2500000), wk = 0.0036496 k( 146) = ( 0.2179487 0.1258328 0.2500000), wk = 0.0036496 k( 147) = ( 0.2307692 0.1332347 0.2500000), wk = 0.0036496 k( 148) = ( 0.2435897 0.1406366 0.2500000), wk = 0.0036496 k( 149) = ( 0.2564103 0.1480385 0.2500000), wk = 0.0036496 k( 150) = ( 0.2692308 0.1554405 0.2500000), wk = 0.0036496 k( 151) = ( 0.2820513 0.1628424 0.2500000), wk = 0.0036496 k( 152) = ( 0.2948718 0.1702443 0.2500000), wk = 0.0036496 k( 153) = ( 0.3076923 0.1776462 0.2500000), wk = 0.0036496 k( 154) = ( 0.3205128 0.1850482 0.2500000), wk = 0.0036496 k( 155) = ( 0.3333333 0.1924501 0.2500000), wk = 0.0036496 k( 156) = ( 0.3461538 0.1998520 0.2500000), wk = 0.0036496 k( 157) = ( 0.3589744 0.2072539 0.2500000), wk = 0.0036496 k( 158) = ( 0.3717949 0.2146559 0.2500000), wk = 0.0036496 k( 159) = ( 0.3846154 0.2220578 0.2500000), wk = 0.0036496 k( 160) = ( 0.3974359 0.2294597 0.2500000), wk = 0.0036496 k( 161) = ( 0.4102564 0.2368616 0.2500000), wk = 0.0036496 k( 162) = ( 0.4230769 0.2442636 0.2500000), wk = 0.0036496 k( 163) = ( 0.4358974 0.2516655 0.2500000), wk = 0.0036496 k( 164) = ( 0.4487179 0.2590674 0.2500000), wk = 0.0036496 k( 165) = ( 0.4615385 0.2664694 0.2500000), wk = 0.0036496 k( 166) = ( 0.4743590 0.2738713 0.2500000), wk = 0.0036496 k( 167) = ( 0.4871795 0.2812732 0.2500000), wk = 0.0036496 k( 168) = ( 0.5000000 0.2886751 0.2500000), wk = 0.0036496 k( 169) = ( 0.5000000 0.2886751 0.2500000), wk = 0.0036496 k( 170) = ( 0.4927536 0.3012262 0.2500000), wk = 0.0036496 k( 171) = ( 0.4855073 0.3137773 0.2500000), wk = 0.0036496 k( 172) = ( 0.4782609 0.3263284 0.2500000), wk = 0.0036496 k( 173) = ( 0.4710145 0.3388795 0.2500000), wk = 0.0036496 k( 174) = ( 0.4637681 0.3514306 0.2500000), wk = 0.0036496 k( 175) = ( 0.4565217 0.3639817 0.2500000), wk = 0.0036496 k( 176) = ( 0.4492754 0.3765328 0.2500000), wk = 0.0036496 k( 177) = ( 0.4420290 0.3890839 0.2500000), wk = 0.0036496 k( 178) = ( 0.4347826 0.4016350 0.2500000), wk = 0.0036496 k( 179) = ( 0.4275362 0.4141861 0.2500000), wk = 0.0036496 k( 180) = ( 0.4202899 0.4267372 0.2500000), wk = 0.0036496 k( 181) = ( 0.4130435 0.4392882 0.2500000), wk = 0.0036496 k( 182) = ( 0.4057971 0.4518393 0.2500000), wk = 0.0036496 k( 183) = ( 0.3985507 0.4643904 0.2500000), wk = 0.0036496 k( 184) = ( 0.3913044 0.4769415 0.2500000), wk = 0.0036496 k( 185) = ( 0.3840580 0.4894926 0.2500000), wk = 0.0036496 k( 186) = ( 0.3768116 0.5020437 0.2500000), wk = 0.0036496 k( 187) = ( 0.3695652 0.5145948 0.2500000), wk = 0.0036496 k( 188) = ( 0.3623188 0.5271459 0.2500000), wk = 0.0036496 k( 189) = ( 0.3550725 0.5396970 0.2500000), wk = 0.0036496 k( 190) = ( 0.3478261 0.5522481 0.2500000), wk = 0.0036496 k( 191) = ( 0.3405797 0.5647992 0.2500000), wk = 0.0036496 k( 192) = ( 0.3333333 0.5773503 0.2500000), wk = 0.0036496 k( 193) = ( 0.3333333 0.5773503 0.2500000), wk = 0.0036496 k( 194) = ( 0.3259259 0.5645203 0.2500000), wk = 0.0036496 k( 195) = ( 0.3185185 0.5516903 0.2500000), wk = 0.0036496 k( 196) = ( 0.3111111 0.5388602 0.2500000), wk = 0.0036496 k( 197) = ( 0.3037037 0.5260302 0.2500000), wk = 0.0036496 k( 198) = ( 0.2962963 0.5132002 0.2500000), wk = 0.0036496 k( 199) = ( 0.2888889 0.5003702 0.2500000), wk = 0.0036496 k( 200) = ( 0.2814815 0.4875402 0.2500000), wk = 0.0036496 k( 201) = ( 0.2740741 0.4747102 0.2500000), wk = 0.0036496 k( 202) = ( 0.2666667 0.4618802 0.2500000), wk = 0.0036496 k( 203) = ( 0.2592593 0.4490502 0.2500000), wk = 0.0036496 k( 204) = ( 0.2518518 0.4362202 0.2500000), wk = 0.0036496 k( 205) = ( 0.2444444 0.4233902 0.2500000), wk = 0.0036496 k( 206) = ( 0.2370370 0.4105602 0.2500000), wk = 0.0036496 k( 207) = ( 0.2296296 0.3977302 0.2500000), wk = 0.0036496 k( 208) = ( 0.2222222 0.3849002 0.2500000), wk = 0.0036496 k( 209) = ( 0.2148148 0.3720702 0.2500000), wk = 0.0036496 k( 210) = ( 0.2074074 0.3592402 0.2500000), wk = 0.0036496 k( 211) = ( 0.2000000 0.3464102 0.2500000), wk = 0.0036496 k( 212) = ( 0.1925926 0.3335802 0.2500000), wk = 0.0036496 k( 213) = ( 0.1851852 0.3207502 0.2500000), wk = 0.0036496 k( 214) = ( 0.1777778 0.3079201 0.2500000), wk = 0.0036496 k( 215) = ( 0.1703704 0.2950901 0.2500000), wk = 0.0036496 k( 216) = ( 0.1629630 0.2822601 0.2500000), wk = 0.0036496 k( 217) = ( 0.1555556 0.2694301 0.2500000), wk = 0.0036496 k( 218) = ( 0.1481482 0.2566001 0.2500000), wk = 0.0036496 k( 219) = ( 0.1407407 0.2437701 0.2500000), wk = 0.0036496 k( 220) = ( 0.1333333 0.2309401 0.2500000), wk = 0.0036496 k( 221) = ( 0.1259259 0.2181101 0.2500000), wk = 0.0036496 k( 222) = ( 0.1185185 0.2052801 0.2500000), wk = 0.0036496 k( 223) = ( 0.1111111 0.1924501 0.2500000), wk = 0.0036496 k( 224) = ( 0.1037037 0.1796201 0.2500000), wk = 0.0036496 k( 225) = ( 0.0962963 0.1667901 0.2500000), wk = 0.0036496 k( 226) = ( 0.0888889 0.1539601 0.2500000), wk = 0.0036496 k( 227) = ( 0.0814815 0.1411301 0.2500000), wk = 0.0036496 k( 228) = ( 0.0740741 0.1283001 0.2500000), wk = 0.0036496 k( 229) = ( 0.0666667 0.1154701 0.2500000), wk = 0.0036496 k( 230) = ( 0.0592593 0.1026400 0.2500000), wk = 0.0036496 k( 231) = ( 0.0518518 0.0898100 0.2500000), wk = 0.0036496 k( 232) = ( 0.0444444 0.0769800 0.2500000), wk = 0.0036496 k( 233) = ( 0.0370370 0.0641500 0.2500000), wk = 0.0036496 k( 234) = ( 0.0296296 0.0513200 0.2500000), wk = 0.0036496 k( 235) = ( 0.0222222 0.0384900 0.2500000), wk = 0.0036496 k( 236) = ( 0.0148148 0.0256600 0.2500000), wk = 0.0036496 k( 237) = ( 0.0074074 0.0128300 0.2500000), wk = 0.0036496 k( 238) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0036496 k( 239) = ( 0.5000000 0.2886751 0.2500000), wk = 0.0036496 k( 240) = ( 0.5000000 0.2886751 0.2352941), wk = 0.0036496 k( 241) = ( 0.5000000 0.2886751 0.2205882), wk = 0.0036496 k( 242) = ( 0.5000000 0.2886751 0.2058824), wk = 0.0036496 k( 243) = ( 0.5000000 0.2886751 0.1911765), wk = 0.0036496 k( 244) = ( 0.5000000 0.2886751 0.1764706), wk = 0.0036496 k( 245) = ( 0.5000000 0.2886751 0.1617647), wk = 0.0036496 k( 246) = ( 0.5000000 0.2886751 0.1470588), wk = 0.0036496 k( 247) = ( 0.5000000 0.2886751 0.1323529), wk = 0.0036496 k( 248) = ( 0.5000000 0.2886751 0.1176471), wk = 0.0036496 k( 249) = ( 0.5000000 0.2886751 0.1029412), wk = 0.0036496 k( 250) = ( 0.5000000 0.2886751 0.0882353), wk = 0.0036496 k( 251) = ( 0.5000000 0.2886751 0.0735294), wk = 0.0036496 k( 252) = ( 0.5000000 0.2886751 0.0588235), wk = 0.0036496 k( 253) = ( 0.5000000 0.2886751 0.0441176), wk = 0.0036496 k( 254) = ( 0.5000000 0.2886751 0.0294118), wk = 0.0036496 k( 255) = ( 0.5000000 0.2886751 0.0147059), wk = 0.0036496 k( 256) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0036496 k( 257) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0036496 k( 258) = ( 0.3333333 0.5773503 0.0147059), wk = 0.0036496 k( 259) = ( 0.3333333 0.5773503 0.0294118), wk = 0.0036496 k( 260) = ( 0.3333333 0.5773503 0.0441176), wk = 0.0036496 k( 261) = ( 0.3333333 0.5773503 0.0588235), wk = 0.0036496 k( 262) = ( 0.3333333 0.5773503 0.0735294), wk = 0.0036496 k( 263) = ( 0.3333333 0.5773503 0.0882353), wk = 0.0036496 k( 264) = ( 0.3333333 0.5773503 0.1029412), wk = 0.0036496 k( 265) = ( 0.3333333 0.5773503 0.1176471), wk = 0.0036496 k( 266) = ( 0.3333333 0.5773503 0.1323529), wk = 0.0036496 k( 267) = ( 0.3333333 0.5773503 0.1470588), wk = 0.0036496 k( 268) = ( 0.3333333 0.5773503 0.1617647), wk = 0.0036496 k( 269) = ( 0.3333333 0.5773503 0.1764706), wk = 0.0036496 k( 270) = ( 0.3333333 0.5773503 0.1911765), wk = 0.0036496 k( 271) = ( 0.3333333 0.5773503 0.2058824), wk = 0.0036496 k( 272) = ( 0.3333333 0.5773503 0.2205882), wk = 0.0036496 k( 273) = ( 0.3333333 0.5773503 0.2352941), wk = 0.0036496 k( 274) = ( 0.3333333 0.5773503 0.2500000), wk = 0.0036496 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 2) = ( 0.0128205 -0.0000000 -0.0000000), wk = 0.0036496 k( 3) = ( 0.0256410 -0.0000000 -0.0000000), wk = 0.0036496 k( 4) = ( 0.0384615 -0.0000000 -0.0000000), wk = 0.0036496 k( 5) = ( 0.0512821 -0.0000000 -0.0000000), wk = 0.0036496 k( 6) = ( 0.0641026 -0.0000000 -0.0000000), wk = 0.0036496 k( 7) = ( 0.0769231 -0.0000000 -0.0000000), wk = 0.0036496 k( 8) = ( 0.0897436 -0.0000000 -0.0000000), wk = 0.0036496 k( 9) = ( 0.1025641 -0.0000000 -0.0000000), wk = 0.0036496 k( 10) = ( 0.1153846 -0.0000000 -0.0000000), wk = 0.0036496 k( 11) = ( 0.1282051 -0.0000000 -0.0000000), wk = 0.0036496 k( 12) = ( 0.1410256 -0.0000000 -0.0000000), wk = 0.0036496 k( 13) = ( 0.1538461 -0.0000000 -0.0000000), wk = 0.0036496 k( 14) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0036496 k( 15) = ( 0.1794872 -0.0000000 -0.0000000), wk = 0.0036496 k( 16) = ( 0.1923077 -0.0000000 -0.0000000), wk = 0.0036496 k( 17) = ( 0.2051282 -0.0000000 0.0000000), wk = 0.0036496 k( 18) = ( 0.2179487 -0.0000000 0.0000000), wk = 0.0036496 k( 19) = ( 0.2307692 -0.0000000 0.0000000), wk = 0.0036496 k( 20) = ( 0.2435897 -0.0000000 0.0000000), wk = 0.0036496 k( 21) = ( 0.2564103 -0.0000000 -0.0000000), wk = 0.0036496 k( 22) = ( 0.2692308 -0.0000000 -0.0000000), wk = 0.0036496 k( 23) = ( 0.2820513 -0.0000000 -0.0000000), wk = 0.0036496 k( 24) = ( 0.2948718 -0.0000000 -0.0000000), wk = 0.0036496 k( 25) = ( 0.3076923 -0.0000000 -0.0000000), wk = 0.0036496 k( 26) = ( 0.3205128 -0.0000000 -0.0000000), wk = 0.0036496 k( 27) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0036496 k( 28) = ( 0.3461538 -0.0000000 -0.0000000), wk = 0.0036496 k( 29) = ( 0.3589744 -0.0000000 -0.0000000), wk = 0.0036496 k( 30) = ( 0.3717949 -0.0000000 -0.0000000), wk = 0.0036496 k( 31) = ( 0.3846154 -0.0000000 -0.0000000), wk = 0.0036496 k( 32) = ( 0.3974359 -0.0000000 -0.0000000), wk = 0.0036496 k( 33) = ( 0.4102564 -0.0000000 -0.0000000), wk = 0.0036496 k( 34) = ( 0.4230769 -0.0000000 -0.0000000), wk = 0.0036496 k( 35) = ( 0.4358974 -0.0000000 0.0000000), wk = 0.0036496 k( 36) = ( 0.4487179 -0.0000000 -0.0000000), wk = 0.0036496 k( 37) = ( 0.4615385 -0.0000000 0.0000000), wk = 0.0036496 k( 38) = ( 0.4743590 -0.0000000 0.0000000), wk = 0.0036496 k( 39) = ( 0.4871795 -0.0000000 0.0000000), wk = 0.0036496 k( 40) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0036496 k( 41) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0036496 k( 42) = ( 0.4927536 0.0144927 -0.0000000), wk = 0.0036496 k( 43) = ( 0.4855073 0.0289855 -0.0000000), wk = 0.0036496 k( 44) = ( 0.4782609 0.0434783 0.0000000), wk = 0.0036496 k( 45) = ( 0.4710145 0.0579710 -0.0000000), wk = 0.0036496 k( 46) = ( 0.4637681 0.0724638 0.0000000), wk = 0.0036496 k( 47) = ( 0.4565217 0.0869565 -0.0000000), wk = 0.0036496 k( 48) = ( 0.4492754 0.1014493 0.0000000), wk = 0.0036496 k( 49) = ( 0.4420290 0.1159420 -0.0000000), wk = 0.0036496 k( 50) = ( 0.4347826 0.1304348 -0.0000000), wk = 0.0036496 k( 51) = ( 0.4275362 0.1449275 0.0000000), wk = 0.0036496 k( 52) = ( 0.4202899 0.1594203 -0.0000000), wk = 0.0036496 k( 53) = ( 0.4130435 0.1739130 -0.0000000), wk = 0.0036496 k( 54) = ( 0.4057971 0.1884058 0.0000000), wk = 0.0036496 k( 55) = ( 0.3985507 0.2028985 -0.0000000), wk = 0.0036496 k( 56) = ( 0.3913044 0.2173913 -0.0000000), wk = 0.0036496 k( 57) = ( 0.3840580 0.2318841 -0.0000000), wk = 0.0036496 k( 58) = ( 0.3768116 0.2463768 -0.0000000), wk = 0.0036496 k( 59) = ( 0.3695652 0.2608696 -0.0000000), wk = 0.0036496 k( 60) = ( 0.3623188 0.2753623 -0.0000000), wk = 0.0036496 k( 61) = ( 0.3550725 0.2898551 -0.0000000), wk = 0.0036496 k( 62) = ( 0.3478261 0.3043478 -0.0000000), wk = 0.0036496 k( 63) = ( 0.3405797 0.3188406 -0.0000000), wk = 0.0036496 k( 64) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0036496 k( 65) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0036496 k( 66) = ( 0.3259259 0.3259259 -0.0000000), wk = 0.0036496 k( 67) = ( 0.3185185 0.3185185 0.0000000), wk = 0.0036496 k( 68) = ( 0.3111111 0.3111111 -0.0000000), wk = 0.0036496 k( 69) = ( 0.3037037 0.3037037 -0.0000000), wk = 0.0036496 k( 70) = ( 0.2962963 0.2962963 -0.0000000), wk = 0.0036496 k( 71) = ( 0.2888889 0.2888889 -0.0000000), wk = 0.0036496 k( 72) = ( 0.2814815 0.2814815 -0.0000000), wk = 0.0036496 k( 73) = ( 0.2740741 0.2740741 -0.0000000), wk = 0.0036496 k( 74) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0036496 k( 75) = ( 0.2592593 0.2592593 -0.0000000), wk = 0.0036496 k( 76) = ( 0.2518518 0.2518518 -0.0000000), wk = 0.0036496 k( 77) = ( 0.2444444 0.2444444 -0.0000000), wk = 0.0036496 k( 78) = ( 0.2370370 0.2370370 -0.0000000), wk = 0.0036496 k( 79) = ( 0.2296296 0.2296296 -0.0000000), wk = 0.0036496 k( 80) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0036496 k( 81) = ( 0.2148148 0.2148148 0.0000000), wk = 0.0036496 k( 82) = ( 0.2074074 0.2074074 0.0000000), wk = 0.0036496 k( 83) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0036496 k( 84) = ( 0.1925926 0.1925926 0.0000000), wk = 0.0036496 k( 85) = ( 0.1851852 0.1851852 -0.0000000), wk = 0.0036496 k( 86) = ( 0.1777778 0.1777778 -0.0000000), wk = 0.0036496 k( 87) = ( 0.1703704 0.1703704 0.0000000), wk = 0.0036496 k( 88) = ( 0.1629630 0.1629630 -0.0000000), wk = 0.0036496 k( 89) = ( 0.1555556 0.1555556 0.0000000), wk = 0.0036496 k( 90) = ( 0.1481482 0.1481481 -0.0000000), wk = 0.0036496 k( 91) = ( 0.1407407 0.1407407 -0.0000000), wk = 0.0036496 k( 92) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0036496 k( 93) = ( 0.1259259 0.1259259 -0.0000000), wk = 0.0036496 k( 94) = ( 0.1185185 0.1185185 -0.0000000), wk = 0.0036496 k( 95) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0036496 k( 96) = ( 0.1037037 0.1037037 0.0000000), wk = 0.0036496 k( 97) = ( 0.0962963 0.0962963 -0.0000000), wk = 0.0036496 k( 98) = ( 0.0888889 0.0888889 -0.0000000), wk = 0.0036496 k( 99) = ( 0.0814815 0.0814815 -0.0000000), wk = 0.0036496 k( 100) = ( 0.0740741 0.0740741 0.0000000), wk = 0.0036496 k( 101) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0036496 k( 102) = ( 0.0592593 0.0592593 -0.0000000), wk = 0.0036496 k( 103) = ( 0.0518518 0.0518518 0.0000000), wk = 0.0036496 k( 104) = ( 0.0444444 0.0444444 -0.0000000), wk = 0.0036496 k( 105) = ( 0.0370370 0.0370370 0.0000000), wk = 0.0036496 k( 106) = ( 0.0296296 0.0296296 -0.0000000), wk = 0.0036496 k( 107) = ( 0.0222222 0.0222222 -0.0000000), wk = 0.0036496 k( 108) = ( 0.0148148 0.0148148 -0.0000000), wk = 0.0036496 k( 109) = ( 0.0074074 0.0074074 -0.0000000), wk = 0.0036496 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036496 k( 112) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0036496 k( 113) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0036496 k( 114) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0036496 k( 115) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0036496 k( 116) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0036496 k( 117) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0036496 k( 118) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0036496 k( 119) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0036496 k( 120) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0036496 k( 121) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0036496 k( 122) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0036496 k( 123) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0036496 k( 124) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0036496 k( 125) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0036496 k( 126) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0036496 k( 127) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0036496 k( 128) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036496 k( 129) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036496 k( 130) = ( 0.0128205 -0.0000000 0.5000000), wk = 0.0036496 k( 131) = ( 0.0256410 -0.0000000 0.5000000), wk = 0.0036496 k( 132) = ( 0.0384615 -0.0000000 0.5000000), wk = 0.0036496 k( 133) = ( 0.0512821 -0.0000000 0.5000000), wk = 0.0036496 k( 134) = ( 0.0641026 -0.0000000 0.5000000), wk = 0.0036496 k( 135) = ( 0.0769231 -0.0000000 0.5000000), wk = 0.0036496 k( 136) = ( 0.0897436 -0.0000000 0.5000000), wk = 0.0036496 k( 137) = ( 0.1025641 -0.0000000 0.5000000), wk = 0.0036496 k( 138) = ( 0.1153846 -0.0000000 0.5000000), wk = 0.0036496 k( 139) = ( 0.1282051 -0.0000000 0.5000000), wk = 0.0036496 k( 140) = ( 0.1410256 -0.0000000 0.5000000), wk = 0.0036496 k( 141) = ( 0.1538461 -0.0000000 0.5000000), wk = 0.0036496 k( 142) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0036496 k( 143) = ( 0.1794872 -0.0000000 0.5000000), wk = 0.0036496 k( 144) = ( 0.1923077 -0.0000000 0.5000000), wk = 0.0036496 k( 145) = ( 0.2051282 -0.0000000 0.5000000), wk = 0.0036496 k( 146) = ( 0.2179487 -0.0000000 0.5000000), wk = 0.0036496 k( 147) = ( 0.2307692 -0.0000000 0.5000000), wk = 0.0036496 k( 148) = ( 0.2435897 -0.0000000 0.5000000), wk = 0.0036496 k( 149) = ( 0.2564103 -0.0000000 0.5000000), wk = 0.0036496 k( 150) = ( 0.2692308 -0.0000000 0.5000000), wk = 0.0036496 k( 151) = ( 0.2820513 -0.0000000 0.5000000), wk = 0.0036496 k( 152) = ( 0.2948718 -0.0000000 0.5000000), wk = 0.0036496 k( 153) = ( 0.3076923 -0.0000000 0.5000000), wk = 0.0036496 k( 154) = ( 0.3205128 -0.0000000 0.5000000), wk = 0.0036496 k( 155) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0036496 k( 156) = ( 0.3461538 -0.0000000 0.5000000), wk = 0.0036496 k( 157) = ( 0.3589744 -0.0000000 0.5000000), wk = 0.0036496 k( 158) = ( 0.3717949 -0.0000000 0.5000000), wk = 0.0036496 k( 159) = ( 0.3846154 -0.0000000 0.5000000), wk = 0.0036496 k( 160) = ( 0.3974359 -0.0000000 0.5000000), wk = 0.0036496 k( 161) = ( 0.4102564 -0.0000000 0.5000000), wk = 0.0036496 k( 162) = ( 0.4230769 -0.0000000 0.5000000), wk = 0.0036496 k( 163) = ( 0.4358974 -0.0000000 0.5000000), wk = 0.0036496 k( 164) = ( 0.4487179 -0.0000000 0.5000000), wk = 0.0036496 k( 165) = ( 0.4615385 -0.0000000 0.5000000), wk = 0.0036496 k( 166) = ( 0.4743590 -0.0000000 0.5000000), wk = 0.0036496 k( 167) = ( 0.4871795 -0.0000000 0.5000000), wk = 0.0036496 k( 168) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0036496 k( 169) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0036496 k( 170) = ( 0.4927536 0.0144927 0.5000000), wk = 0.0036496 k( 171) = ( 0.4855073 0.0289855 0.5000000), wk = 0.0036496 k( 172) = ( 0.4782609 0.0434783 0.5000000), wk = 0.0036496 k( 173) = ( 0.4710145 0.0579710 0.5000000), wk = 0.0036496 k( 174) = ( 0.4637681 0.0724638 0.5000000), wk = 0.0036496 k( 175) = ( 0.4565217 0.0869565 0.5000000), wk = 0.0036496 k( 176) = ( 0.4492754 0.1014493 0.5000000), wk = 0.0036496 k( 177) = ( 0.4420290 0.1159420 0.5000000), wk = 0.0036496 k( 178) = ( 0.4347826 0.1304348 0.5000000), wk = 0.0036496 k( 179) = ( 0.4275362 0.1449275 0.5000000), wk = 0.0036496 k( 180) = ( 0.4202899 0.1594203 0.5000000), wk = 0.0036496 k( 181) = ( 0.4130435 0.1739130 0.5000000), wk = 0.0036496 k( 182) = ( 0.4057971 0.1884058 0.5000000), wk = 0.0036496 k( 183) = ( 0.3985507 0.2028985 0.5000000), wk = 0.0036496 k( 184) = ( 0.3913044 0.2173913 0.5000000), wk = 0.0036496 k( 185) = ( 0.3840580 0.2318841 0.5000000), wk = 0.0036496 k( 186) = ( 0.3768116 0.2463768 0.5000000), wk = 0.0036496 k( 187) = ( 0.3695652 0.2608696 0.5000000), wk = 0.0036496 k( 188) = ( 0.3623188 0.2753623 0.5000000), wk = 0.0036496 k( 189) = ( 0.3550725 0.2898551 0.5000000), wk = 0.0036496 k( 190) = ( 0.3478261 0.3043478 0.5000000), wk = 0.0036496 k( 191) = ( 0.3405797 0.3188406 0.5000000), wk = 0.0036496 k( 192) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0036496 k( 193) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0036496 k( 194) = ( 0.3259259 0.3259259 0.5000000), wk = 0.0036496 k( 195) = ( 0.3185185 0.3185185 0.5000000), wk = 0.0036496 k( 196) = ( 0.3111111 0.3111111 0.5000000), wk = 0.0036496 k( 197) = ( 0.3037037 0.3037037 0.5000000), wk = 0.0036496 k( 198) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0036496 k( 199) = ( 0.2888889 0.2888889 0.5000000), wk = 0.0036496 k( 200) = ( 0.2814815 0.2814815 0.5000000), wk = 0.0036496 k( 201) = ( 0.2740741 0.2740741 0.5000000), wk = 0.0036496 k( 202) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0036496 k( 203) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0036496 k( 204) = ( 0.2518518 0.2518518 0.5000000), wk = 0.0036496 k( 205) = ( 0.2444444 0.2444444 0.5000000), wk = 0.0036496 k( 206) = ( 0.2370370 0.2370370 0.5000000), wk = 0.0036496 k( 207) = ( 0.2296296 0.2296296 0.5000000), wk = 0.0036496 k( 208) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0036496 k( 209) = ( 0.2148148 0.2148148 0.5000000), wk = 0.0036496 k( 210) = ( 0.2074074 0.2074074 0.5000000), wk = 0.0036496 k( 211) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0036496 k( 212) = ( 0.1925926 0.1925926 0.5000000), wk = 0.0036496 k( 213) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0036496 k( 214) = ( 0.1777778 0.1777778 0.5000000), wk = 0.0036496 k( 215) = ( 0.1703704 0.1703704 0.5000000), wk = 0.0036496 k( 216) = ( 0.1629630 0.1629630 0.5000000), wk = 0.0036496 k( 217) = ( 0.1555556 0.1555556 0.5000000), wk = 0.0036496 k( 218) = ( 0.1481482 0.1481481 0.5000000), wk = 0.0036496 k( 219) = ( 0.1407407 0.1407407 0.5000000), wk = 0.0036496 k( 220) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0036496 k( 221) = ( 0.1259259 0.1259259 0.5000000), wk = 0.0036496 k( 222) = ( 0.1185185 0.1185185 0.5000000), wk = 0.0036496 k( 223) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0036496 k( 224) = ( 0.1037037 0.1037037 0.5000000), wk = 0.0036496 k( 225) = ( 0.0962963 0.0962963 0.5000000), wk = 0.0036496 k( 226) = ( 0.0888889 0.0888889 0.5000000), wk = 0.0036496 k( 227) = ( 0.0814815 0.0814815 0.5000000), wk = 0.0036496 k( 228) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0036496 k( 229) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0036496 k( 230) = ( 0.0592593 0.0592593 0.5000000), wk = 0.0036496 k( 231) = ( 0.0518518 0.0518518 0.5000000), wk = 0.0036496 k( 232) = ( 0.0444444 0.0444444 0.5000000), wk = 0.0036496 k( 233) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0036496 k( 234) = ( 0.0296296 0.0296296 0.5000000), wk = 0.0036496 k( 235) = ( 0.0222222 0.0222222 0.5000000), wk = 0.0036496 k( 236) = ( 0.0148148 0.0148148 0.5000000), wk = 0.0036496 k( 237) = ( 0.0074074 0.0074074 0.5000000), wk = 0.0036496 k( 238) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036496 k( 239) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0036496 k( 240) = ( 0.5000000 -0.0000000 0.4705882), wk = 0.0036496 k( 241) = ( 0.5000000 -0.0000000 0.4411765), wk = 0.0036496 k( 242) = ( 0.5000000 -0.0000000 0.4117647), wk = 0.0036496 k( 243) = ( 0.5000000 -0.0000000 0.3823529), wk = 0.0036496 k( 244) = ( 0.5000000 -0.0000000 0.3529412), wk = 0.0036496 k( 245) = ( 0.5000000 -0.0000000 0.3235294), wk = 0.0036496 k( 246) = ( 0.5000000 -0.0000000 0.2941177), wk = 0.0036496 k( 247) = ( 0.5000000 -0.0000000 0.2647059), wk = 0.0036496 k( 248) = ( 0.5000000 -0.0000000 0.2352941), wk = 0.0036496 k( 249) = ( 0.5000000 -0.0000000 0.2058823), wk = 0.0036496 k( 250) = ( 0.5000000 -0.0000000 0.1764706), wk = 0.0036496 k( 251) = ( 0.5000000 -0.0000000 0.1470588), wk = 0.0036496 k( 252) = ( 0.5000000 -0.0000000 0.1176471), wk = 0.0036496 k( 253) = ( 0.5000000 -0.0000000 0.0882353), wk = 0.0036496 k( 254) = ( 0.5000000 -0.0000000 0.0588235), wk = 0.0036496 k( 255) = ( 0.5000000 -0.0000000 0.0294118), wk = 0.0036496 k( 256) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0036496 k( 257) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0036496 k( 258) = ( 0.3333333 0.3333333 0.0294118), wk = 0.0036496 k( 259) = ( 0.3333333 0.3333333 0.0588235), wk = 0.0036496 k( 260) = ( 0.3333333 0.3333333 0.0882353), wk = 0.0036496 k( 261) = ( 0.3333333 0.3333333 0.1176471), wk = 0.0036496 k( 262) = ( 0.3333333 0.3333333 0.1470588), wk = 0.0036496 k( 263) = ( 0.3333333 0.3333333 0.1764706), wk = 0.0036496 k( 264) = ( 0.3333333 0.3333333 0.2058823), wk = 0.0036496 k( 265) = ( 0.3333333 0.3333333 0.2352941), wk = 0.0036496 k( 266) = ( 0.3333333 0.3333333 0.2647059), wk = 0.0036496 k( 267) = ( 0.3333333 0.3333333 0.2941177), wk = 0.0036496 k( 268) = ( 0.3333333 0.3333333 0.3235294), wk = 0.0036496 k( 269) = ( 0.3333333 0.3333333 0.3529412), wk = 0.0036496 k( 270) = ( 0.3333333 0.3333333 0.3823529), wk = 0.0036496 k( 271) = ( 0.3333333 0.3333333 0.4117647), wk = 0.0036496 k( 272) = ( 0.3333333 0.3333333 0.4411765), wk = 0.0036496 k( 273) = ( 0.3333333 0.3333333 0.4705882), wk = 0.0036496 k( 274) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0036496 Dense grid: 331385 G-vectors FFT dimensions: ( 72, 72, 144) Smooth grid: 38331 G-vectors FFT dimensions: ( 36, 36, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.26 Mb ( 280, 62) NL pseudopotentials 0.35 Mb ( 140, 166) Each V/rho on FFT grid 0.32 Mb ( 20736) Each G-vector array 0.07 Mb ( 9215) G-vector shells 0.02 Mb ( 1972) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.06 Mb ( 280, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.31 Mb ( 166, 2, 62) The potential is recalculated from file : ./BaCdGe.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.9 secs Computing kpt #: 2 total cpu time spent up to now is 7.2 secs Computing kpt #: 3 total cpu time spent up to now is 8.0 secs Computing kpt #: 4 total cpu time spent up to now is 9.0 secs Computing kpt #: 5 total cpu time spent up to now is 9.9 secs Computing kpt #: 6 total cpu time spent up to now is 10.9 secs Computing kpt #: 7 total cpu time spent up to now is 12.0 secs Computing kpt #: 8 total cpu time spent up to now is 13.0 secs Computing kpt #: 9 total cpu time spent up to now is 14.2 secs Computing kpt #: 10 total cpu time spent up to now is 15.5 secs Computing kpt #: 11 total cpu time spent up to now is 17.2 secs Computing kpt #: 12 total cpu time spent up to now is 18.9 secs Computing kpt #: 13 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 20.8 secs Computing kpt #: 14 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 22.7 secs Computing kpt #: 15 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 24.6 secs Computing kpt #: 16 total cpu time spent up to now is 26.1 secs Computing kpt #: 17 total cpu time spent up to now is 27.5 secs Computing kpt #: 18 total cpu time spent up to now is 29.0 secs Computing kpt #: 19 total cpu time spent up to now is 30.4 secs Computing kpt #: 20 total cpu time spent up to now is 31.8 secs Computing kpt #: 21 total cpu time spent up to now is 33.2 secs Computing kpt #: 22 total cpu time spent up to now is 34.7 secs Computing kpt #: 23 total cpu time spent up to now is 36.1 secs Computing kpt #: 24 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 38.1 secs Computing kpt #: 25 total cpu time spent up to now is 39.0 secs Computing kpt #: 26 total cpu time spent up to now is 39.9 secs Computing kpt #: 27 total cpu time spent up to now is 40.7 secs Computing kpt #: 28 total cpu time spent up to now is 41.5 secs Computing kpt #: 29 total cpu time spent up to now is 42.3 secs Computing kpt #: 30 total cpu time spent up to now is 43.1 secs Computing kpt #: 31 total cpu time spent up to now is 43.9 secs Computing kpt #: 32 total cpu time spent up to now is 44.7 secs Computing kpt #: 33 total cpu time spent up to now is 45.6 secs Computing kpt #: 34 total cpu time spent up to now is 46.3 secs Computing kpt #: 35 total cpu time spent up to now is 47.2 secs Computing kpt #: 36 total cpu time spent up to now is 48.1 secs Computing kpt #: 37 total cpu time spent up to now is 48.7 secs Computing kpt #: 38 total cpu time spent up to now is 49.3 secs Computing kpt #: 39 total cpu time spent up to now is 49.9 secs Computing kpt #: 40 total cpu time spent up to now is 50.6 secs Computing kpt #: 41 total cpu time spent up to now is 51.2 secs Computing kpt #: 42 total cpu time spent up to now is 51.8 secs Computing kpt #: 43 total cpu time spent up to now is 52.5 secs Computing kpt #: 44 total cpu time spent up to now is 53.2 secs Computing kpt #: 45 total cpu time spent up to now is 53.9 secs Computing kpt #: 46 total cpu time spent up to now is 54.5 secs Computing kpt #: 47 total cpu time spent up to now is 55.1 secs Computing kpt #: 48 total cpu time spent up to now is 55.7 secs Computing kpt #: 49 total cpu time spent up to now is 56.4 secs Computing kpt #: 50 total cpu time spent up to now is 57.1 secs Computing kpt #: 51 total cpu time spent up to now is 58.0 secs Computing kpt #: 52 total cpu time spent up to now is 58.9 secs Computing kpt #: 53 total cpu time spent up to now is 59.9 secs Computing kpt #: 54 total cpu time spent up to now is 60.7 secs Computing kpt #: 55 total cpu time spent up to now is 61.6 secs Computing kpt #: 56 total cpu time spent up to now is 62.6 secs Computing kpt #: 57 total cpu time spent up to now is 63.4 secs Computing kpt #: 58 total cpu time spent up to now is 64.2 secs Computing kpt #: 59 total cpu time spent up to now is 64.9 secs Computing kpt #: 60 total cpu time spent up to now is 65.7 secs Computing kpt #: 61 total cpu time spent up to now is 66.5 secs Computing kpt #: 62 total cpu time spent up to now is 67.3 secs Computing kpt #: 63 total cpu time spent up to now is 68.0 secs Computing kpt #: 64 total cpu time spent up to now is 68.8 secs Computing kpt #: 65 total cpu time spent up to now is 69.5 secs Computing kpt #: 66 total cpu time spent up to now is 70.2 secs Computing kpt #: 67 total cpu time spent up to now is 71.0 secs Computing kpt #: 68 total cpu time spent up to now is 71.8 secs Computing kpt #: 69 total cpu time spent up to now is 72.5 secs Computing kpt #: 70 total cpu time spent up to now is 73.2 secs Computing kpt #: 71 total cpu time spent up to now is 73.8 secs Computing kpt #: 72 total cpu time spent up to now is 74.4 secs Computing kpt #: 73 total cpu time spent up to now is 74.9 secs Computing kpt #: 74 total cpu time spent up to now is 75.5 secs Computing kpt #: 75 total cpu time spent up to now is 76.1 secs Computing kpt #: 76 total cpu time spent up to now is 76.7 secs Computing kpt #: 77 total cpu time spent up to now is 77.3 secs Computing kpt #: 78 total cpu time spent up to now is 77.8 secs Computing kpt #: 79 total cpu time spent up to now is 78.4 secs Computing kpt #: 80 total cpu time spent up to now is 79.0 secs Computing kpt #: 81 total cpu time spent up to now is 79.6 secs Computing kpt #: 82 total cpu time spent up to now is 80.2 secs Computing kpt #: 83 total cpu time spent up to now is 80.7 secs Computing kpt #: 84 total cpu time spent up to now is 81.3 secs Computing kpt #: 85 total cpu time spent up to now is 82.0 secs Computing kpt #: 86 total cpu time spent up to now is 82.7 secs Computing kpt #: 87 total cpu time spent up to now is 83.4 secs Computing kpt #: 88 total cpu time spent up to now is 84.2 secs Computing kpt #: 89 total cpu time spent up to now is 85.2 secs Computing kpt #: 90 total cpu time spent up to now is 86.3 secs Computing kpt #: 91 total cpu time spent up to now is 87.8 secs Computing kpt #: 92 total cpu time spent up to now is 89.3 secs Computing kpt #: 93 total cpu time spent up to now is 90.6 secs Computing kpt #: 94 total cpu time spent up to now is 92.1 secs Computing kpt #: 95 total cpu time spent up to now is 93.4 secs Computing kpt #: 96 total cpu time spent up to now is 95.2 secs Computing kpt #: 97 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 97.1 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 99.0 secs Computing kpt #: 99 total cpu time spent up to now is 100.7 secs Computing kpt #: 100 total cpu time spent up to now is 102.0 secs Computing kpt #: 101 total cpu time spent up to now is 102.9 secs Computing kpt #: 102 total cpu time spent up to now is 104.0 secs Computing kpt #: 103 total cpu time spent up to now is 105.0 secs Computing kpt #: 104 total cpu time spent up to now is 106.0 secs Computing kpt #: 105 total cpu time spent up to now is 107.1 secs Computing kpt #: 106 total cpu time spent up to now is 108.1 secs Computing kpt #: 107 total cpu time spent up to now is 109.1 secs Computing kpt #: 108 total cpu time spent up to now is 110.0 secs Computing kpt #: 109 total cpu time spent up to now is 111.0 secs Computing kpt #: 110 total cpu time spent up to now is 111.8 secs Computing kpt #: 111 total cpu time spent up to now is 112.6 secs Computing kpt #: 112 total cpu time spent up to now is 113.4 secs Computing kpt #: 113 total cpu time spent up to now is 114.1 secs Computing kpt #: 114 total cpu time spent up to now is 114.7 secs Computing kpt #: 115 total cpu time spent up to now is 115.4 secs Computing kpt #: 116 total cpu time spent up to now is 116.1 secs Computing kpt #: 117 total cpu time spent up to now is 116.8 secs Computing kpt #: 118 total cpu time spent up to now is 117.5 secs Computing kpt #: 119 total cpu time spent up to now is 118.2 secs Computing kpt #: 120 total cpu time spent up to now is 118.9 secs Computing kpt #: 121 total cpu time spent up to now is 119.6 secs Computing kpt #: 122 total cpu time spent up to now is 120.5 secs Computing kpt #: 123 total cpu time spent up to now is 121.4 secs Computing kpt #: 124 total cpu time spent up to now is 122.3 secs Computing kpt #: 125 total cpu time spent up to now is 123.4 secs Computing kpt #: 126 total cpu time spent up to now is 124.4 secs Computing kpt #: 127 total cpu time spent up to now is 125.5 secs Computing kpt #: 128 total cpu time spent up to now is 126.7 secs Computing kpt #: 129 total cpu time spent up to now is 127.9 secs Computing kpt #: 130 total cpu time spent up to now is 129.0 secs Computing kpt #: 131 total cpu time spent up to now is 130.1 secs Computing kpt #: 132 total cpu time spent up to now is 131.1 secs Computing kpt #: 133 total cpu time spent up to now is 132.2 secs Computing kpt #: 134 total cpu time spent up to now is 133.2 secs Computing kpt #: 135 total cpu time spent up to now is 134.2 secs Computing kpt #: 136 total cpu time spent up to now is 135.1 secs Computing kpt #: 137 total cpu time spent up to now is 136.2 secs Computing kpt #: 138 total cpu time spent up to now is 137.3 secs Computing kpt #: 139 total cpu time spent up to now is 138.5 secs Computing kpt #: 140 total cpu time spent up to now is 139.6 secs Computing kpt #: 141 total cpu time spent up to now is 140.7 secs Computing kpt #: 142 total cpu time spent up to now is 141.8 secs Computing kpt #: 143 total cpu time spent up to now is 143.1 secs Computing kpt #: 144 total cpu time spent up to now is 144.7 secs Computing kpt #: 145 total cpu time spent up to now is 146.1 secs Computing kpt #: 146 total cpu time spent up to now is 147.3 secs Computing kpt #: 147 total cpu time spent up to now is 148.5 secs Computing kpt #: 148 total cpu time spent up to now is 149.5 secs Computing kpt #: 149 total cpu time spent up to now is 150.4 secs Computing kpt #: 150 total cpu time spent up to now is 151.3 secs Computing kpt #: 151 total cpu time spent up to now is 152.3 secs Computing kpt #: 152 total cpu time spent up to now is 153.2 secs Computing kpt #: 153 total cpu time spent up to now is 154.1 secs Computing kpt #: 154 total cpu time spent up to now is 155.0 secs Computing kpt #: 155 total cpu time spent up to now is 156.0 secs Computing kpt #: 156 total cpu time spent up to now is 156.9 secs Computing kpt #: 157 total cpu time spent up to now is 157.8 secs Computing kpt #: 158 total cpu time spent up to now is 158.8 secs Computing kpt #: 159 total cpu time spent up to now is 159.7 secs Computing kpt #: 160 total cpu time spent up to now is 160.6 secs Computing kpt #: 161 total cpu time spent up to now is 161.8 secs Computing kpt #: 162 total cpu time spent up to now is 162.9 secs Computing kpt #: 163 total cpu time spent up to now is 163.8 secs Computing kpt #: 164 total cpu time spent up to now is 164.8 secs Computing kpt #: 165 total cpu time spent up to now is 165.7 secs Computing kpt #: 166 total cpu time spent up to now is 166.9 secs Computing kpt #: 167 total cpu time spent up to now is 168.0 secs Computing kpt #: 168 total cpu time spent up to now is 169.2 secs Computing kpt #: 169 total cpu time spent up to now is 170.2 secs Computing kpt #: 170 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 172.1 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 174.0 secs Computing kpt #: 172 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 175.8 secs Computing kpt #: 173 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 177.6 secs Computing kpt #: 174 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 179.3 secs Computing kpt #: 175 total cpu time spent up to now is 180.3 secs Computing kpt #: 176 total cpu time spent up to now is 181.2 secs Computing kpt #: 177 total cpu time spent up to now is 182.1 secs Computing kpt #: 178 total cpu time spent up to now is 183.0 secs Computing kpt #: 179 total cpu time spent up to now is 183.8 secs Computing kpt #: 180 total cpu time spent up to now is 184.6 secs Computing kpt #: 181 total cpu time spent up to now is 185.4 secs Computing kpt #: 182 total cpu time spent up to now is 186.2 secs Computing kpt #: 183 total cpu time spent up to now is 187.0 secs Computing kpt #: 184 total cpu time spent up to now is 187.8 secs Computing kpt #: 185 total cpu time spent up to now is 188.6 secs Computing kpt #: 186 total cpu time spent up to now is 189.6 secs Computing kpt #: 187 total cpu time spent up to now is 191.1 secs Computing kpt #: 188 total cpu time spent up to now is 192.4 secs Computing kpt #: 189 total cpu time spent up to now is 193.8 secs Computing kpt #: 190 total cpu time spent up to now is 195.1 secs Computing kpt #: 191 total cpu time spent up to now is 196.8 secs Computing kpt #: 192 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 198.7 secs Computing kpt #: 193 total cpu time spent up to now is 200.0 secs Computing kpt #: 194 total cpu time spent up to now is 201.2 secs Computing kpt #: 195 total cpu time spent up to now is 202.5 secs Computing kpt #: 196 total cpu time spent up to now is 203.8 secs Computing kpt #: 197 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 205.7 secs Computing kpt #: 198 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 207.7 secs Computing kpt #: 199 total cpu time spent up to now is 209.2 secs Computing kpt #: 200 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 211.1 secs Computing kpt #: 201 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 212.9 secs Computing kpt #: 202 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 214.7 secs Computing kpt #: 203 total cpu time spent up to now is 215.9 secs Computing kpt #: 204 total cpu time spent up to now is 216.6 secs Computing kpt #: 205 total cpu time spent up to now is 217.3 secs Computing kpt #: 206 total cpu time spent up to now is 218.4 secs Computing kpt #: 207 total cpu time spent up to now is 219.1 secs Computing kpt #: 208 total cpu time spent up to now is 220.1 secs Computing kpt #: 209 total cpu time spent up to now is 221.1 secs Computing kpt #: 210 total cpu time spent up to now is 222.1 secs Computing kpt #: 211 total cpu time spent up to now is 223.1 secs Computing kpt #: 212 total cpu time spent up to now is 224.0 secs Computing kpt #: 213 total cpu time spent up to now is 225.0 secs Computing kpt #: 214 total cpu time spent up to now is 226.0 secs Computing kpt #: 215 total cpu time spent up to now is 226.9 secs Computing kpt #: 216 total cpu time spent up to now is 227.8 secs Computing kpt #: 217 total cpu time spent up to now is 228.8 secs Computing kpt #: 218 total cpu time spent up to now is 229.8 secs Computing kpt #: 219 total cpu time spent up to now is 230.8 secs Computing kpt #: 220 total cpu time spent up to now is 231.9 secs Computing kpt #: 221 total cpu time spent up to now is 232.8 secs Computing kpt #: 222 total cpu time spent up to now is 233.9 secs Computing kpt #: 223 total cpu time spent up to now is 234.9 secs Computing kpt #: 224 total cpu time spent up to now is 236.0 secs Computing kpt #: 225 total cpu time spent up to now is 237.1 secs Computing kpt #: 226 total cpu time spent up to now is 238.2 secs Computing kpt #: 227 total cpu time spent up to now is 239.2 secs Computing kpt #: 228 total cpu time spent up to now is 240.4 secs Computing kpt #: 229 total cpu time spent up to now is 241.4 secs Computing kpt #: 230 total cpu time spent up to now is 242.6 secs Computing kpt #: 231 total cpu time spent up to now is 243.6 secs Computing kpt #: 232 total cpu time spent up to now is 244.8 secs Computing kpt #: 233 total cpu time spent up to now is 245.9 secs Computing kpt #: 234 total cpu time spent up to now is 247.0 secs Computing kpt #: 235 total cpu time spent up to now is 248.0 secs Computing kpt #: 236 total cpu time spent up to now is 249.2 secs Computing kpt #: 237 total cpu time spent up to now is 250.3 secs Computing kpt #: 238 total cpu time spent up to now is 251.5 secs Computing kpt #: 239 total cpu time spent up to now is 252.7 secs Computing kpt #: 240 total cpu time spent up to now is 253.9 secs Computing kpt #: 241 total cpu time spent up to now is 254.8 secs Computing kpt #: 242 total cpu time spent up to now is 255.7 secs Computing kpt #: 243 total cpu time spent up to now is 256.6 secs Computing kpt #: 244 total cpu time spent up to now is 257.5 secs Computing kpt #: 245 total cpu time spent up to now is 258.4 secs Computing kpt #: 246 total cpu time spent up to now is 259.3 secs Computing kpt #: 247 total cpu time spent up to now is 260.2 secs Computing kpt #: 248 total cpu time spent up to now is 261.2 secs Computing kpt #: 249 total cpu time spent up to now is 262.2 secs Computing kpt #: 250 total cpu time spent up to now is 263.0 secs Computing kpt #: 251 total cpu time spent up to now is 264.0 secs Computing kpt #: 252 total cpu time spent up to now is 265.3 secs Computing kpt #: 253 total cpu time spent up to now is 266.5 secs Computing kpt #: 254 total cpu time spent up to now is 267.4 secs Computing kpt #: 255 total cpu time spent up to now is 268.0 secs Computing kpt #: 256 total cpu time spent up to now is 268.7 secs Computing kpt #: 257 total cpu time spent up to now is 269.4 secs Computing kpt #: 258 total cpu time spent up to now is 270.1 secs Computing kpt #: 259 total cpu time spent up to now is 270.9 secs Computing kpt #: 260 total cpu time spent up to now is 271.6 secs Computing kpt #: 261 total cpu time spent up to now is 272.4 secs Computing kpt #: 262 total cpu time spent up to now is 273.1 secs Computing kpt #: 263 total cpu time spent up to now is 273.9 secs Computing kpt #: 264 total cpu time spent up to now is 274.7 secs Computing kpt #: 265 total cpu time spent up to now is 275.4 secs Computing kpt #: 266 total cpu time spent up to now is 276.2 secs Computing kpt #: 267 total cpu time spent up to now is 277.1 secs Computing kpt #: 268 total cpu time spent up to now is 277.9 secs Computing kpt #: 269 total cpu time spent up to now is 278.8 secs Computing kpt #: 270 total cpu time spent up to now is 279.7 secs Computing kpt #: 271 total cpu time spent up to now is 280.6 secs Computing kpt #: 272 total cpu time spent up to now is 281.6 secs Computing kpt #: 273 total cpu time spent up to now is 282.9 secs Computing kpt #: 274 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 284.8 secs ethr = 1.92E-08, avg # of iterations = 48.1 total cpu time spent up to now is 284.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4769 PWs) bands (ev): -19.6696 -19.6696 -19.6602 -19.6602 -6.3559 -6.3559 -6.2783 -6.2783 -4.5309 -4.5309 -4.2788 -4.2788 -4.2262 -4.2262 -4.1979 -4.1979 -1.2689 -1.2689 -1.1117 -1.1117 -1.0207 -1.0207 -0.9784 -0.9784 -0.6470 -0.6470 -0.5026 -0.5026 -0.3797 -0.3797 -0.3435 -0.3435 -0.2805 -0.2805 -0.2319 -0.2319 0.1304 0.1304 0.7258 0.7258 5.3674 5.3674 7.7620 7.7620 7.8645 7.8645 8.1415 8.1415 8.3858 8.3858 8.5046 8.5046 8.5942 8.5942 8.7729 8.7729 8.9424 8.9424 9.8472 9.8472 9.9176 9.9176 k = 0.0128 0.0074-0.0000 ( 4781 PWs) bands (ev): -19.6696 -19.6696 -19.6602 -19.6602 -6.3559 -6.3559 -6.2785 -6.2785 -4.5308 -4.5308 -4.2789 -4.2789 -4.2266 -4.2266 -4.1982 -4.1982 -1.2684 -1.2684 -1.1122 -1.1122 -1.0203 -1.0203 -0.9784 -0.9784 -0.6465 -0.6465 -0.5030 -0.5030 -0.3792 -0.3792 -0.3434 -0.3434 -0.2804 -0.2804 -0.2320 -0.2320 0.1312 0.1312 0.7264 0.7264 5.3699 5.3699 7.7443 7.7443 7.8489 7.8489 8.1399 8.1399 8.3239 8.3239 8.5370 8.5370 8.6162 8.6162 8.7815 8.7815 8.9552 8.9552 9.8613 9.8613 9.9292 9.9292 k = 0.0256 0.0148-0.0000 ( 4789 PWs) bands (ev): -19.6695 -19.6695 -19.6601 -19.6601 -6.3561 -6.3561 -6.2789 -6.2789 -4.5305 -4.5305 -4.2792 -4.2792 -4.2279 -4.2279 -4.1992 -4.1992 -1.2669 -1.2669 -1.1138 -1.1138 -1.0188 -1.0188 -0.9785 -0.9785 -0.6452 -0.6452 -0.5043 -0.5043 -0.3778 -0.3778 -0.3432 -0.3432 -0.2801 -0.2801 -0.2323 -0.2323 0.1338 0.1338 0.7279 0.7279 5.3773 5.3773 7.6800 7.6800 7.8273 7.8273 8.1339 8.1339 8.1990 8.1990 8.6136 8.6136 8.6264 8.6264 8.8089 8.8089 8.9956 8.9956 9.9026 9.9026 9.9637 9.9637 k = 0.0385 0.0222-0.0000 ( 4787 PWs) bands (ev): -19.6694 -19.6694 -19.6600 -19.6600 -6.3563 -6.3563 -6.2796 -6.2796 -4.5301 -4.5301 -4.2798 -4.2798 -4.2299 -4.2299 -4.2008 -4.2008 -1.2643 -1.2643 -1.1162 -1.1162 -1.0166 -1.0166 -0.9785 -0.9785 -0.6430 -0.6430 -0.5062 -0.5062 -0.3756 -0.3756 -0.3428 -0.3428 -0.2796 -0.2796 -0.2329 -0.2329 0.1381 0.1381 0.7306 0.7306 5.3897 5.3897 7.5759 7.5759 7.8156 7.8156 8.0470 8.0470 8.1313 8.1313 8.5857 8.5857 8.7287 8.7287 8.8400 8.8400 9.0601 9.0601 9.9684 9.9684 10.0208 10.0208 k = 0.0513 0.0296-0.0000 ( 4787 PWs) bands (ev): -19.6692 -19.6692 -19.6598 -19.6598 -6.3566 -6.3566 -6.2806 -6.2806 -4.5296 -4.5296 -4.2807 -4.2807 -4.2327 -4.2327 -4.2030 -4.2030 -1.2608 -1.2608 -1.1195 -1.1195 -1.0136 -1.0136 -0.9786 -0.9786 -0.6399 -0.6399 -0.5088 -0.5088 -0.3727 -0.3727 -0.3422 -0.3422 -0.2790 -0.2790 -0.2336 -0.2336 0.1442 0.1442 0.7342 0.7342 5.4070 5.4070 7.4524 7.4524 7.8075 7.8075 7.8921 7.8921 8.1201 8.1201 8.5308 8.5308 8.8342 8.8342 8.8760 8.8760 9.1371 9.1371 10.0514 10.0514 10.1021 10.1021 k = 0.0641 0.0370-0.0000 ( 4787 PWs) bands (ev): -19.6690 -19.6690 -19.6596 -19.6596 -6.3570 -6.3570 -6.2818 -6.2818 -4.5289 -4.5289 -4.2819 -4.2819 -4.2361 -4.2361 -4.2058 -4.2058 -1.2564 -1.2564 -1.1233 -1.1233 -1.0101 -1.0101 -0.9786 -0.9786 -0.6361 -0.6361 -0.5119 -0.5119 -0.3692 -0.3692 -0.3414 -0.3414 -0.2782 -0.2782 -0.2346 -0.2346 0.1521 0.1521 0.7389 0.7389 5.4291 5.4291 7.3197 7.3197 7.7306 7.7306 7.8014 7.8014 8.1074 8.1074 8.4640 8.4640 8.8756 8.8756 8.9671 8.9671 9.2231 9.2231 10.1419 10.1419 10.2097 10.2097 k = 0.0769 0.0444-0.0000 ( 4791 PWs) bands (ev): -19.6687 -19.6687 -19.6593 -19.6593 -6.3575 -6.3575 -6.2833 -6.2833 -4.5280 -4.5280 -4.2836 -4.2836 -4.2400 -4.2400 -4.2092 -4.2092 -1.2513 -1.2513 -1.1275 -1.1275 -1.0063 -1.0063 -0.9786 -0.9786 -0.6315 -0.6315 -0.5152 -0.5152 -0.3653 -0.3653 -0.3405 -0.3405 -0.2772 -0.2772 -0.2356 -0.2356 0.1618 0.1618 0.7445 0.7445 5.4559 5.4559 7.1823 7.1823 7.5688 7.5688 7.7932 7.7932 8.0923 8.0923 8.3900 8.3900 8.8976 8.8976 9.0577 9.0577 9.3245 9.3245 10.2339 10.2339 10.3094 10.3094 k = 0.0897 0.0518-0.0000 ( 4803 PWs) bands (ev): -19.6684 -19.6684 -19.6590 -19.6590 -6.3580 -6.3580 -6.2850 -6.2850 -4.5270 -4.5270 -4.2858 -4.2858 -4.2442 -4.2442 -4.2131 -4.2131 -1.2454 -1.2454 -1.1321 -1.1321 -1.0023 -1.0023 -0.9786 -0.9786 -0.6262 -0.6262 -0.5188 -0.5188 -0.3609 -0.3609 -0.3394 -0.3394 -0.2760 -0.2760 -0.2369 -0.2369 0.1733 0.1733 0.7512 0.7512 5.4873 5.4873 7.0425 7.0425 7.4067 7.4067 7.7842 7.7842 8.0750 8.0750 8.3120 8.3120 8.9182 8.9182 9.1250 9.1250 9.4453 9.4453 10.2320 10.2320 10.3460 10.3460 k = 0.1026 0.0592-0.0000 ( 4811 PWs) bands (ev): -19.6680 -19.6680 -19.6587 -19.6587 -6.3587 -6.3587 -6.2870 -6.2870 -4.5259 -4.5259 -4.2887 -4.2887 -4.2485 -4.2485 -4.2176 -4.2176 -1.2390 -1.2390 -1.1368 -1.1368 -0.9981 -0.9981 -0.9785 -0.9785 -0.6204 -0.6204 -0.5224 -0.5224 -0.3564 -0.3564 -0.3381 -0.3381 -0.2748 -0.2748 -0.2382 -0.2382 0.1867 0.1867 0.7588 0.7588 5.5233 5.5233 6.9012 6.9012 7.2458 7.2458 7.7739 7.7739 8.0555 8.0555 8.2323 8.2323 8.9386 8.9386 9.1732 9.1732 9.5804 9.5804 10.1494 10.1494 10.4488 10.4488 k = 0.1154 0.0666-0.0000 ( 4811 PWs) bands (ev): -19.6676 -19.6676 -19.6583 -19.6583 -6.3594 -6.3594 -6.2892 -6.2892 -4.5246 -4.5246 -4.2925 -4.2925 -4.2526 -4.2526 -4.2225 -4.2225 -1.2322 -1.2322 -1.1416 -1.1416 -0.9939 -0.9939 -0.9784 -0.9784 -0.6139 -0.6139 -0.5259 -0.5259 -0.3517 -0.3517 -0.3365 -0.3365 -0.2734 -0.2734 -0.2396 -0.2396 0.2022 0.2022 0.7674 0.7674 5.5636 5.5636 6.7589 6.7589 7.0871 7.0871 7.7619 7.7619 8.0335 8.0335 8.1530 8.1530 8.9585 8.9585 9.2098 9.2098 9.7226 9.7226 10.0618 10.0618 10.5570 10.5570 k = 0.1282 0.0740-0.0000 ( 4811 PWs) bands (ev): -19.6671 -19.6671 -19.6579 -19.6579 -6.3603 -6.3603 -6.2917 -6.2917 -4.5233 -4.5233 -4.2974 -4.2974 -4.2564 -4.2564 -4.2277 -4.2277 -1.2250 -1.2250 -1.1464 -1.1464 -0.9898 -0.9898 -0.9781 -0.9781 -0.6071 -0.6071 -0.5293 -0.5293 -0.3469 -0.3469 -0.3348 -0.3348 -0.2720 -0.2720 -0.2411 -0.2411 0.2196 0.2196 0.7768 0.7768 5.6081 5.6081 6.6160 6.6160 6.9313 6.9313 7.7477 7.7477 8.0069 8.0069 8.0777 8.0777 8.9768 8.9768 9.2404 9.2404 9.8666 9.8666 9.9734 9.9734 10.6675 10.6675 k = 0.1410 0.0814-0.0000 ( 4815 PWs) bands (ev): -19.6666 -19.6666 -19.6574 -19.6574 -6.3612 -6.3612 -6.2943 -6.2943 -4.5218 -4.5218 -4.3034 -4.3034 -4.2597 -4.2597 -4.2334 -4.2334 -1.2177 -1.2177 -1.1511 -1.1511 -0.9858 -0.9858 -0.9778 -0.9778 -0.6000 -0.6000 -0.5324 -0.5324 -0.3422 -0.3422 -0.3327 -0.3327 -0.2705 -0.2705 -0.2425 -0.2425 0.2391 0.2391 0.7872 0.7872 5.6566 5.6566 6.4726 6.4726 6.7793 6.7793 7.7306 7.7306 7.9662 7.9662 8.0177 8.0177 8.9923 8.9923 9.2687 9.2687 9.8834 9.8834 10.0102 10.0102 10.7786 10.7786 k = 0.1538 0.0888-0.0000 ( 4813 PWs) bands (ev): -19.6661 -19.6661 -19.6569 -19.6569 -6.3622 -6.3622 -6.2971 -6.2971 -4.5203 -4.5203 -4.3104 -4.3104 -4.2624 -4.2624 -4.2394 -4.2394 -1.2104 -1.2104 -1.1557 -1.1557 -0.9820 -0.9820 -0.9772 -0.9772 -0.5926 -0.5926 -0.5352 -0.5352 -0.3376 -0.3376 -0.3304 -0.3304 -0.2691 -0.2691 -0.2439 -0.2439 0.2607 0.2607 0.7983 0.7983 5.7090 5.7090 6.3287 6.3287 6.6313 6.6313 7.7090 7.7090 7.9051 7.9051 7.9816 7.9816 9.0034 9.0034 9.2973 9.2973 9.7958 9.7958 10.1470 10.1470 10.8872 10.8873 k = 0.1667 0.0962-0.0000 ( 4819 PWs) bands (ev): -19.6655 -19.6655 -19.6564 -19.6564 -6.3633 -6.3633 -6.3001 -6.3001 -4.5187 -4.5187 -4.3183 -4.3183 -4.2648 -4.2648 -4.2455 -4.2455 -1.2032 -1.2032 -1.1601 -1.1601 -0.9787 -0.9787 -0.9761 -0.9761 -0.5852 -0.5852 -0.5376 -0.5376 -0.3332 -0.3332 -0.3276 -0.3276 -0.2676 -0.2676 -0.2452 -0.2452 0.2845 0.2845 0.8104 0.8104 5.7649 5.7649 6.1846 6.1846 6.4878 6.4878 7.6801 7.6801 7.8425 7.8425 7.9541 7.9541 9.0087 9.0087 9.3284 9.3284 9.7093 9.7093 10.2750 10.2750 10.9719 10.9719 k = 0.1795 0.1036-0.0000 ( 4815 PWs) bands (ev): -19.6649 -19.6649 -19.6559 -19.6559 -6.3644 -6.3644 -6.3033 -6.3033 -4.5171 -4.5171 -4.3269 -4.3269 -4.2668 -4.2668 -4.2519 -4.2519 -1.1962 -1.1962 -1.1641 -1.1641 -0.9765 -0.9765 -0.9740 -0.9740 -0.5779 -0.5779 -0.5394 -0.5394 -0.3293 -0.3293 -0.3243 -0.3243 -0.2663 -0.2663 -0.2462 -0.2462 0.3104 0.3104 0.8231 0.8231 5.8240 5.8240 6.0407 6.0407 6.3489 6.3489 7.6401 7.6401 7.7897 7.7897 7.9283 7.9283 9.0071 9.0071 9.3631 9.3631 9.6247 9.6247 10.3903 10.3903 11.0305 11.0306 k = 0.1923 0.1110-0.0000 ( 4813 PWs) bands (ev): -19.6643 -19.6643 -19.6553 -19.6553 -6.3657 -6.3657 -6.3066 -6.3066 -4.5154 -4.5154 -4.3361 -4.3361 -4.2688 -4.2688 -4.2582 -4.2582 -1.1899 -1.1899 -1.1676 -1.1676 -0.9751 -0.9751 -0.9712 -0.9712 -0.5709 -0.5709 -0.5407 -0.5407 -0.3256 -0.3256 -0.3206 -0.3206 -0.2651 -0.2651 -0.2470 -0.2470 0.3386 0.3386 0.8367 0.8367 5.8783 5.8783 5.9049 5.9049 6.2148 6.2148 7.5876 7.5876 7.7496 7.7496 7.9031 7.9031 8.9984 8.9984 9.4019 9.4019 9.5423 9.5423 10.4899 10.4899 11.0896 11.0896 k = 0.2051 0.1184-0.0000 ( 4817 PWs) bands (ev): -19.6637 -19.6637 -19.6547 -19.6547 -6.3670 -6.3670 -6.3099 -6.3099 -4.5138 -4.5138 -4.3457 -4.3457 -4.2710 -4.2710 -4.2640 -4.2640 -1.1848 -1.1848 -1.1699 -1.1699 -0.9736 -0.9736 -0.9684 -0.9684 -0.5643 -0.5643 -0.5413 -0.5413 -0.3222 -0.3222 -0.3166 -0.3166 -0.2641 -0.2641 -0.2475 -0.2475 0.3689 0.3689 0.8510 0.8510 5.7518 5.7518 5.9533 5.9533 6.0855 6.0855 7.5264 7.5264 7.7192 7.7192 7.8783 7.8783 8.9826 8.9826 9.4440 9.4440 9.4629 9.4629 10.5728 10.5728 11.1515 11.1515 k = 0.2179 0.1258-0.0000 ( 4817 PWs) bands (ev): -19.6631 -19.6631 -19.6541 -19.6541 -6.3683 -6.3683 -6.3134 -6.3134 -4.5122 -4.5122 -4.3556 -4.3556 -4.2749 -4.2749 -4.2681 -4.2681 -1.1824 -1.1824 -1.1697 -1.1697 -0.9720 -0.9720 -0.9659 -0.9659 -0.5586 -0.5586 -0.5408 -0.5408 -0.3187 -0.3187 -0.3126 -0.3126 -0.2635 -0.2635 -0.2475 -0.2475 0.4013 0.4013 0.8660 0.8660 5.6099 5.6099 5.9594 5.9594 6.0220 6.0220 7.4615 7.4615 7.6941 7.6941 7.8539 7.8539 8.9602 8.9602 9.3843 9.3843 9.4916 9.4916 10.6408 10.6408 11.2162 11.2162 k = 0.2308 0.1332-0.0000 ( 4813 PWs) bands (ev): -19.6624 -19.6624 -19.6535 -19.6535 -6.3698 -6.3698 -6.3170 -6.3170 -4.5106 -4.5106 -4.3656 -4.3656 -4.2805 -4.2805 -4.2703 -4.2703 -1.1832 -1.1832 -1.1665 -1.1665 -0.9701 -0.9701 -0.9637 -0.9637 -0.5542 -0.5542 -0.5390 -0.5390 -0.3152 -0.3152 -0.3087 -0.3087 -0.2631 -0.2631 -0.2471 -0.2471 0.4358 0.4358 0.8816 0.8816 5.4693 5.4693 5.8394 5.8394 6.0916 6.0916 7.3957 7.3957 7.6717 7.6717 7.8300 7.8300 8.9322 8.9322 9.3093 9.3093 9.5413 9.5413 10.6977 10.6977 11.2836 11.2836 k = 0.2436 0.1406-0.0000 ( 4799 PWs) bands (ev): -19.6617 -19.6617 -19.6529 -19.6529 -6.3712 -6.3712 -6.3206 -6.3206 -4.5091 -4.5091 -4.3757 -4.3757 -4.2867 -4.2867 -4.2716 -4.2716 -1.1853 -1.1853 -1.1622 -1.1622 -0.9680 -0.9680 -0.9618 -0.9618 -0.5513 -0.5513 -0.5357 -0.5357 -0.3116 -0.3116 -0.3049 -0.3049 -0.2630 -0.2630 -0.2463 -0.2463 0.4722 0.4722 0.8980 0.8980 5.3305 5.3305 5.7232 5.7232 6.1637 6.1637 7.3307 7.3307 7.6507 7.6507 7.8067 7.8067 8.8994 8.8994 9.2369 9.2369 9.5935 9.5935 10.7483 10.7483 11.3531 11.3531 k = 0.2564 0.1480-0.0000 ( 4799 PWs) bands (ev): -19.6611 -19.6611 -19.6523 -19.6523 -6.3727 -6.3727 -6.3242 -6.3242 -4.5077 -4.5077 -4.3858 -4.3858 -4.2930 -4.2930 -4.2727 -4.2727 -1.1876 -1.1876 -1.1579 -1.1579 -0.9656 -0.9656 -0.9602 -0.9602 -0.5494 -0.5494 -0.5314 -0.5314 -0.3078 -0.3078 -0.3014 -0.3014 -0.2630 -0.2630 -0.2451 -0.2451 0.5103 0.5103 0.9150 0.9150 5.1940 5.1940 5.6112 5.6112 6.2374 6.2374 7.2674 7.2674 7.6305 7.6305 7.7843 7.7843 8.8626 8.8626 9.1671 9.1671 9.6478 9.6478 10.7967 10.7967 11.4240 11.4240 k = 0.2692 0.1554-0.0000 ( 4803 PWs) bands (ev): -19.6604 -19.6604 -19.6517 -19.6517 -6.3743 -6.3743 -6.3278 -6.3278 -4.5064 -4.5064 -4.3957 -4.3957 -4.2991 -4.2991 -4.2736 -4.2736 -1.1899 -1.1899 -1.1539 -1.1539 -0.9630 -0.9630 -0.9589 -0.9589 -0.5480 -0.5480 -0.5269 -0.5269 -0.3040 -0.3040 -0.2981 -0.2981 -0.2631 -0.2631 -0.2437 -0.2437 0.5499 0.5499 0.9328 0.9328 5.0602 5.0602 5.5036 5.5036 6.3122 6.3122 7.2062 7.2062 7.6109 7.6109 7.7630 7.7630 8.8230 8.8230 9.0999 9.0999 9.7036 9.7036 10.8458 10.8458 11.4950 11.4950 k = 0.2821 0.1628-0.0000 ( 4815 PWs) bands (ev): -19.6598 -19.6598 -19.6511 -19.6511 -6.3758 -6.3758 -6.3314 -6.3314 -4.5053 -4.5053 -4.4054 -4.4054 -4.3051 -4.3051 -4.2744 -4.2744 -1.1920 -1.1920 -1.1503 -1.1503 -0.9603 -0.9603 -0.9578 -0.9578 -0.5466 -0.5466 -0.5224 -0.5224 -0.3001 -0.3001 -0.2951 -0.2951 -0.2631 -0.2631 -0.2421 -0.2421 0.5907 0.5907 0.9513 0.9513 4.9294 4.9294 5.4002 5.4002 6.3877 6.3877 7.1476 7.1476 7.5918 7.5918 7.7429 7.7429 8.7814 8.7814 9.0351 9.0351 9.7603 9.7603 10.8974 10.8974 11.5637 11.5637 k = 0.2949 0.1702-0.0000 ( 4819 PWs) bands (ev): -19.6591 -19.6591 -19.6505 -19.6505 -6.3774 -6.3774 -6.3350 -6.3350 -4.5043 -4.5043 -4.4150 -4.4150 -4.3107 -4.3107 -4.2752 -4.2752 -1.1938 -1.1938 -1.1472 -1.1472 -0.9581 -0.9581 -0.9565 -0.9565 -0.5453 -0.5453 -0.5182 -0.5182 -0.2962 -0.2962 -0.2924 -0.2924 -0.2630 -0.2630 -0.2404 -0.2404 0.6324 0.6324 0.9708 0.9708 4.8019 4.8019 5.3012 5.3012 6.4633 6.4633 7.0916 7.0916 7.5733 7.5733 7.7243 7.7243 8.7387 8.7387 8.9726 8.9726 9.8176 9.8176 10.9525 10.9525 11.6103 11.6104 k = 0.3077 0.1776-0.0000 ( 4819 PWs) bands (ev): -19.6585 -19.6585 -19.6499 -19.6499 -6.3789 -6.3789 -6.3384 -6.3384 -4.5035 -4.5035 -4.4241 -4.4241 -4.3161 -4.3161 -4.2759 -4.2759 -1.1955 -1.1955 -1.1444 -1.1444 -0.9572 -0.9572 -0.9538 -0.9538 -0.5439 -0.5439 -0.5142 -0.5142 -0.2925 -0.2925 -0.2900 -0.2900 -0.2627 -0.2627 -0.2387 -0.2387 0.6744 0.6744 0.9912 0.9912 4.6781 4.6781 5.2068 5.2068 6.5384 6.5384 7.0387 7.0387 7.5552 7.5552 7.7076 7.7076 8.6956 8.6956 8.9123 8.9123 9.8750 9.8750 11.0112 11.0112 11.5600 11.5600 k = 0.3205 0.1850-0.0000 ( 4825 PWs) bands (ev): -19.6579 -19.6579 -19.6493 -19.6493 -6.3804 -6.3804 -6.3418 -6.3418 -4.5028 -4.5028 -4.4330 -4.4330 -4.3210 -4.3210 -4.2765 -4.2765 -1.1970 -1.1970 -1.1420 -1.1420 -0.9569 -0.9569 -0.9507 -0.9507 -0.5425 -0.5425 -0.5105 -0.5105 -0.2894 -0.2894 -0.2872 -0.2872 -0.2622 -0.2622 -0.2369 -0.2369 0.7162 0.7162 1.0128 1.0128 4.5582 4.5582 5.1170 5.1170 6.6123 6.6123 6.9889 6.9889 7.5378 7.5378 7.6931 7.6931 8.6528 8.6528 8.8541 8.8541 9.9321 9.9321 11.0732 11.0732 11.5097 11.5097 k = 0.3333 0.1925-0.0000 ( 4839 PWs) bands (ev): -19.6573 -19.6573 -19.6488 -19.6488 -6.3819 -6.3819 -6.3451 -6.3451 -4.5024 -4.5024 -4.4414 -4.4414 -4.3256 -4.3256 -4.2771 -4.2771 -1.1982 -1.1982 -1.1399 -1.1399 -0.9569 -0.9569 -0.9476 -0.9476 -0.5412 -0.5412 -0.5070 -0.5070 -0.2875 -0.2875 -0.2838 -0.2838 -0.2615 -0.2615 -0.2351 -0.2351 0.7571 0.7571 1.0358 1.0358 4.4427 4.4427 5.0320 5.0320 6.6840 6.6840 6.9428 6.9428 7.5211 7.5211 7.6813 7.6813 8.6109 8.6109 8.7978 8.7978 9.9884 9.9884 11.1373 11.1373 11.4625 11.4625 k = 0.3462 0.1999-0.0000 ( 4831 PWs) bands (ev): -19.6567 -19.6567 -19.6483 -19.6483 -6.3834 -6.3834 -6.3482 -6.3482 -4.5021 -4.5021 -4.4493 -4.4493 -4.3297 -4.3297 -4.2776 -4.2776 -1.1993 -1.1993 -1.1380 -1.1380 -0.9570 -0.9570 -0.9444 -0.9444 -0.5399 -0.5399 -0.5038 -0.5038 -0.2862 -0.2862 -0.2802 -0.2802 -0.2607 -0.2607 -0.2334 -0.2334 0.7964 0.7964 1.0605 1.0605 4.3319 4.3319 4.9520 4.9520 6.7516 6.7516 6.9015 6.9015 7.5052 7.5052 7.6726 7.6726 8.5705 8.5705 8.7432 8.7432 10.0437 10.0437 11.2016 11.2016 11.4190 11.4190 k = 0.3590 0.2073-0.0000 ( 4827 PWs) bands (ev): -19.6562 -19.6562 -19.6478 -19.6478 -6.3848 -6.3848 -6.3512 -6.3512 -4.5021 -4.5021 -4.4568 -4.4568 -4.3334 -4.3334 -4.2781 -4.2781 -1.2003 -1.2003 -1.1364 -1.1364 -0.9573 -0.9573 -0.9413 -0.9413 -0.5388 -0.5388 -0.5008 -0.5008 -0.2853 -0.2853 -0.2767 -0.2767 -0.2598 -0.2598 -0.2316 -0.2316 0.8332 0.8332 1.0871 1.0871 4.2263 4.2263 4.8772 4.8772 6.8063 6.8063 6.8730 6.8730 7.4900 7.4900 7.6678 7.6678 8.5319 8.5319 8.6902 8.6902 10.0976 10.0976 11.2630 11.2630 11.3800 11.3800 k = 0.3718 0.2147-0.0000 ( 4819 PWs) bands (ev): -19.6557 -19.6557 -19.6473 -19.6473 -6.3861 -6.3861 -6.3539 -6.3539 -4.5021 -4.5021 -4.4637 -4.4637 -4.3367 -4.3367 -4.2785 -4.2785 -1.2011 -1.2011 -1.1351 -1.1351 -0.9577 -0.9577 -0.9383 -0.9383 -0.5378 -0.5378 -0.4979 -0.4979 -0.2847 -0.2847 -0.2733 -0.2733 -0.2587 -0.2587 -0.2299 -0.2299 0.8670 0.8670 1.1156 1.1156 4.1262 4.1262 4.8079 4.8079 6.8060 6.8060 6.8984 6.8984 7.4758 7.4758 7.6673 7.6673 8.4955 8.4955 8.6386 8.6386 10.1496 10.1496 11.3133 11.3133 11.3501 11.3501 k = 0.3846 0.2221-0.0000 ( 4827 PWs) bands (ev): -19.6552 -19.6552 -19.6469 -19.6469 -6.3873 -6.3873 -6.3565 -6.3565 -4.5023 -4.5023 -4.4701 -4.4701 -4.3396 -4.3396 -4.2789 -4.2789 -1.2017 -1.2017 -1.1338 -1.1338 -0.9582 -0.9582 -0.9354 -0.9354 -0.5370 -0.5370 -0.4952 -0.4952 -0.2843 -0.2843 -0.2702 -0.2702 -0.2577 -0.2577 -0.2283 -0.2283 0.8971 0.8971 1.1459 1.1459 4.0324 4.0324 4.7443 4.7443 6.7776 6.7776 6.9501 6.9501 7.4626 7.4626 7.6719 7.6719 8.4616 8.4616 8.5884 8.5884 10.1993 10.1993 11.3073 11.3073 11.3708 11.3708 k = 0.3974 0.2295-0.0000 ( 4827 PWs) bands (ev): -19.6548 -19.6548 -19.6465 -19.6465 -6.3885 -6.3885 -6.3589 -6.3589 -4.5027 -4.5027 -4.4758 -4.4758 -4.3420 -4.3420 -4.2792 -4.2792 -1.2023 -1.2023 -1.1328 -1.1328 -0.9588 -0.9588 -0.9328 -0.9328 -0.5363 -0.5363 -0.4928 -0.4928 -0.2841 -0.2841 -0.2673 -0.2673 -0.2567 -0.2567 -0.2269 -0.2269 0.9233 0.9233 1.1775 1.1775 3.9452 3.9452 4.6866 4.6866 6.7487 6.7487 6.9994 6.9994 7.4504 7.4504 7.6820 7.6820 8.4302 8.4302 8.5397 8.5397 10.2463 10.2463 11.2823 11.2823 11.4018 11.4018 k = 0.4103 0.2369-0.0000 ( 4827 PWs) bands (ev): -19.6544 -19.6544 -19.6461 -19.6461 -6.3895 -6.3895 -6.3610 -6.3610 -4.5030 -4.5030 -4.4810 -4.4810 -4.3441 -4.3441 -4.2795 -4.2795 -1.2028 -1.2028 -1.1318 -1.1318 -0.9594 -0.9594 -0.9303 -0.9303 -0.5358 -0.5358 -0.4905 -0.4905 -0.2840 -0.2840 -0.2647 -0.2647 -0.2557 -0.2557 -0.2255 -0.2255 0.9457 0.9457 1.2094 1.2094 3.8656 3.8656 4.6350 4.6350 6.7224 6.7224 7.0426 7.0426 7.4394 7.4394 7.6978 7.6978 8.4015 8.4015 8.4927 8.4927 10.2902 10.2902 11.2602 11.2602 11.4207 11.4207 k = 0.4231 0.2443-0.0000 ( 4829 PWs) bands (ev): -19.6541 -19.6541 -19.6458 -19.6458 -6.3905 -6.3905 -6.3629 -6.3629 -4.5035 -4.5035 -4.4855 -4.4855 -4.3459 -4.3459 -4.2798 -4.2798 -1.2032 -1.2032 -1.1310 -1.1310 -0.9599 -0.9599 -0.9282 -0.9282 -0.5354 -0.5354 -0.4884 -0.4884 -0.2839 -0.2839 -0.2623 -0.2623 -0.2549 -0.2549 -0.2243 -0.2243 0.9644 0.9644 1.2406 1.2406 3.7941 3.7941 4.5898 4.5898 6.6993 6.6993 7.0788 7.0788 7.4297 7.4297 7.7191 7.7191 8.3750 8.3750 8.4483 8.4483 10.3303 10.3303 11.2419 11.2419 11.4287 11.4288 k = 0.4359 0.2517-0.0000 ( 4823 PWs) bands (ev): -19.6538 -19.6538 -19.6456 -19.6456 -6.3913 -6.3913 -6.3645 -6.3645 -4.5039 -4.5039 -4.4893 -4.4893 -4.3473 -4.3473 -4.2800 -4.2800 -1.2035 -1.2035 -1.1303 -1.1303 -0.9605 -0.9605 -0.9263 -0.9263 -0.5352 -0.5352 -0.4866 -0.4866 -0.2839 -0.2839 -0.2603 -0.2603 -0.2541 -0.2541 -0.2232 -0.2232 0.9798 0.9798 1.2697 1.2697 3.7316 3.7316 4.5511 4.5511 6.6795 6.6795 7.1078 7.1078 7.4213 7.4213 7.7447 7.7447 8.3497 8.3497 8.4081 8.4081 10.3659 10.3659 11.2273 11.2273 11.4291 11.4291 k = 0.4487 0.2591-0.0000 ( 4811 PWs) bands (ev): -19.6536 -19.6536 -19.6454 -19.6454 -6.3919 -6.3919 -6.3658 -6.3658 -4.5043 -4.5043 -4.4924 -4.4924 -4.3484 -4.3484 -4.2802 -4.2802 -1.2038 -1.2038 -1.1297 -1.1297 -0.9610 -0.9610 -0.9247 -0.9247 -0.5350 -0.5350 -0.4851 -0.4851 -0.2840 -0.2840 -0.2586 -0.2586 -0.2535 -0.2535 -0.2223 -0.2223 0.9920 0.9920 1.2957 1.2957 3.6789 3.6789 4.5192 4.5192 6.6633 6.6633 7.1301 7.1301 7.4142 7.4142 7.7731 7.7731 8.3237 8.3237 8.3751 8.3751 10.3965 10.3965 11.2161 11.2161 11.4251 11.4251 k = 0.4615 0.2665-0.0000 ( 4804 PWs) bands (ev): -19.6534 -19.6534 -19.6452 -19.6452 -6.3925 -6.3925 -6.3668 -6.3668 -4.5046 -4.5046 -4.4949 -4.4949 -4.3493 -4.3493 -4.2803 -4.2803 -1.2040 -1.2040 -1.1293 -1.1293 -0.9613 -0.9613 -0.9234 -0.9234 -0.5349 -0.5349 -0.4838 -0.4838 -0.2840 -0.2840 -0.2573 -0.2573 -0.2530 -0.2530 -0.2216 -0.2216 1.0014 1.0014 1.3172 1.3172 3.6369 3.6369 4.4942 4.4942 6.6506 6.6506 7.1463 7.1463 7.4087 7.4087 7.8015 7.8015 8.2960 8.2960 8.3518 8.3518 10.4213 10.4213 11.2079 11.2079 11.4193 11.4193 k = 0.4744 0.2739-0.0000 ( 4808 PWs) bands (ev): -19.6532 -19.6532 -19.6450 -19.6450 -6.3928 -6.3928 -6.3676 -6.3676 -4.5049 -4.5049 -4.4967 -4.4967 -4.3499 -4.3499 -4.2804 -4.2804 -1.2041 -1.2041 -1.1290 -1.1290 -0.9616 -0.9616 -0.9225 -0.9225 -0.5348 -0.5348 -0.4829 -0.4829 -0.2841 -0.2841 -0.2563 -0.2563 -0.2527 -0.2527 -0.2210 -0.2210 1.0079 1.0079 1.3334 1.3334 3.6063 3.6063 4.4762 4.4762 6.6415 6.6415 7.1572 7.1572 7.4047 7.4047 7.8266 7.8266 8.2702 8.2702 8.3373 8.3373 10.4395 10.4395 11.2024 11.2024 11.4138 11.4138 k = 0.4872 0.2813-0.0000 ( 4796 PWs) bands (ev): -19.6532 -19.6532 -19.6450 -19.6450 -6.3931 -6.3931 -6.3680 -6.3680 -4.5051 -4.5051 -4.4977 -4.4977 -4.3502 -4.3502 -4.2805 -4.2805 -1.2042 -1.2042 -1.1288 -1.1288 -0.9618 -0.9618 -0.9220 -0.9220 -0.5348 -0.5348 -0.4824 -0.4824 -0.2841 -0.2841 -0.2557 -0.2557 -0.2525 -0.2525 -0.2207 -0.2207 1.0118 1.0118 1.3435 1.3435 3.5877 3.5877 4.4654 4.4654 6.6361 6.6361 7.1635 7.1635 7.4023 7.4023 7.8443 7.8443 8.2516 8.2516 8.3294 8.3294 10.4508 10.4508 11.1992 11.1992 11.4099 11.4099 k = 0.5000 0.2887-0.0000 ( 4788 PWs) bands (ev): -19.6531 -19.6531 -19.6450 -19.6450 -6.3931 -6.3931 -6.3682 -6.3682 -4.5051 -4.5051 -4.4981 -4.4981 -4.3503 -4.3503 -4.2805 -4.2805 -1.2042 -1.2042 -1.1287 -1.1287 -0.9619 -0.9619 -0.9218 -0.9218 -0.5347 -0.5347 -0.4822 -0.4822 -0.2841 -0.2841 -0.2555 -0.2555 -0.2525 -0.2525 -0.2206 -0.2206 1.0131 1.0131 1.3469 1.3469 3.5814 3.5814 4.4618 4.4618 6.6343 6.6343 7.1655 7.1655 7.4014 7.4014 7.8507 7.8507 8.2449 8.2449 8.3268 8.3268 10.4546 10.4546 11.1981 11.1981 11.4085 11.4085 k = 0.5000 0.2887-0.0000 ( 4788 PWs) bands (ev): -19.6531 -19.6531 -19.6450 -19.6450 -6.3931 -6.3931 -6.3682 -6.3682 -4.5051 -4.5051 -4.4981 -4.4981 -4.3503 -4.3503 -4.2805 -4.2805 -1.2042 -1.2042 -1.1287 -1.1287 -0.9619 -0.9619 -0.9218 -0.9218 -0.5347 -0.5347 -0.4822 -0.4822 -0.2841 -0.2841 -0.2555 -0.2555 -0.2525 -0.2525 -0.2206 -0.2206 1.0131 1.0131 1.3469 1.3469 3.5814 3.5814 4.4618 4.4618 6.6343 6.6343 7.1655 7.1655 7.4014 7.4014 7.8507 7.8507 8.2449 8.2449 8.3268 8.3268 10.4546 10.4546 11.1981 11.1981 11.4085 11.4085 k = 0.4928 0.3012-0.0000 ( 4792 PWs) bands (ev): -19.6531 -19.6531 -19.6449 -19.6449 -6.3932 -6.3932 -6.3682 -6.3682 -4.5050 -4.5050 -4.4980 -4.4980 -4.3506 -4.3506 -4.2808 -4.2808 -1.2048 -1.2048 -1.1276 -1.1276 -0.9618 -0.9618 -0.9219 -0.9219 -0.5379 -0.5379 -0.4793 -0.4793 -0.2841 -0.2841 -0.2555 -0.2555 -0.2525 -0.2525 -0.2207 -0.2207 1.0140 1.0140 1.3471 1.3471 3.5828 3.5828 4.4594 4.4594 6.6347 6.6347 7.1671 7.1671 7.3787 7.3787 7.8501 7.8501 8.2491 8.2491 8.3471 8.3471 10.4580 10.4580 11.1658 11.1658 11.4138 11.4138 k = 0.4855 0.3138-0.0000 ( 4796 PWs) bands (ev): -19.6531 -19.6531 -19.6449 -19.6449 -6.3932 -6.3932 -6.3683 -6.3683 -4.5046 -4.5046 -4.4978 -4.4978 -4.3513 -4.3513 -4.2816 -4.2816 -1.2063 -1.2063 -1.1245 -1.1245 -0.9616 -0.9616 -0.9221 -0.9221 -0.5458 -0.5458 -0.4721 -0.4721 -0.2841 -0.2841 -0.2555 -0.2555 -0.2526 -0.2526 -0.2209 -0.2209 1.0165 1.0165 1.3477 1.3477 3.5870 3.5870 4.4521 4.4521 6.6359 6.6359 7.1718 7.1718 7.3163 7.3163 7.8481 7.8481 8.2582 8.2582 8.4055 8.4055 10.4681 10.4681 11.0861 11.0861 11.4296 11.4296 k = 0.4783 0.3263-0.0000 ( 4802 PWs) bands (ev): -19.6530 -19.6530 -19.6449 -19.6449 -6.3933 -6.3933 -6.3684 -6.3684 -4.5039 -4.5039 -4.4974 -4.4974 -4.3524 -4.3524 -4.2828 -4.2828 -1.2087 -1.2087 -1.1196 -1.1196 -0.9613 -0.9613 -0.9224 -0.9224 -0.5563 -0.5563 -0.4627 -0.4627 -0.2841 -0.2841 -0.2555 -0.2555 -0.2527 -0.2527 -0.2213 -0.2213 1.0208 1.0208 1.3486 1.3486 3.5940 3.5940 4.4403 4.4403 6.6379 6.6379 7.1794 7.1794 7.2265 7.2265 7.8449 7.8449 8.2699 8.2699 8.4923 8.4923 10.4849 10.4849 10.9838 10.9838 11.4558 11.4558 k = 0.4710 0.3389-0.0000 ( 4810 PWs) bands (ev): -19.6530 -19.6530 -19.6448 -19.6448 -6.3934 -6.3934 -6.3686 -6.3686 -4.5030 -4.5030 -4.4969 -4.4969 -4.3541 -4.3541 -4.2846 -4.2846 -1.2115 -1.2115 -1.1132 -1.1132 -0.9609 -0.9609 -0.9228 -0.9228 -0.5682 -0.5682 -0.4524 -0.4524 -0.2840 -0.2840 -0.2556 -0.2556 -0.2529 -0.2529 -0.2218 -0.2218 1.0267 1.0267 1.3500 1.3500 3.6037 3.6037 4.4241 4.4241 6.6405 6.6405 7.1192 7.1192 7.1907 7.1907 7.8404 7.8404 8.2845 8.2845 8.5966 8.5966 10.5077 10.5077 10.8725 10.8725 11.4919 11.4919 k = 0.4638 0.3514-0.0000 ( 4802 PWs) bands (ev): -19.6529 -19.6529 -19.6448 -19.6448 -6.3935 -6.3935 -6.3688 -6.3688 -4.5019 -4.5019 -4.4962 -4.4962 -4.3561 -4.3561 -4.2868 -4.2868 -1.2147 -1.2147 -1.1056 -1.1056 -0.9604 -0.9604 -0.9233 -0.9233 -0.5807 -0.5807 -0.4418 -0.4418 -0.2840 -0.2840 -0.2558 -0.2558 -0.2530 -0.2530 -0.2224 -0.2224 1.0342 1.0342 1.3516 1.3516 3.6159 3.6159 4.4039 4.4039 6.6435 6.6435 7.0028 7.0028 7.2043 7.2043 7.8349 7.8349 8.3025 8.3025 8.7108 8.7108 10.5359 10.5359 10.7584 10.7584 11.5374 11.5374 k = 0.4565 0.3640-0.0000 ( 4802 PWs) bands (ev): -19.6528 -19.6528 -19.6447 -19.6447 -6.3937 -6.3937 -6.3691 -6.3691 -4.5005 -4.5005 -4.4954 -4.4954 -4.3586 -4.3586 -4.2895 -4.2895 -1.2178 -1.2178 -1.0970 -1.0970 -0.9597 -0.9597 -0.9240 -0.9240 -0.5938 -0.5938 -0.4311 -0.4311 -0.2839 -0.2839 -0.2560 -0.2560 -0.2532 -0.2532 -0.2231 -0.2231 1.0432 1.0432 1.3536 1.3536 3.6307 3.6307 4.3801 4.3801 6.6465 6.6465 6.8812 6.8812 7.2209 7.2209 7.8282 7.8282 8.3241 8.3241 8.8305 8.8305 10.5664 10.5664 10.6466 10.6466 11.5918 11.5918 k = 0.4493 0.3765-0.0000 ( 4802 PWs) bands (ev): -19.6527 -19.6527 -19.6446 -19.6446 -6.3939 -6.3939 -6.3694 -6.3694 -4.4989 -4.4989 -4.4945 -4.4945 -4.3614 -4.3614 -4.2925 -4.2925 -1.2210 -1.2210 -1.0876 -1.0876 -0.9590 -0.9590 -0.9247 -0.9247 -0.6071 -0.6071 -0.4206 -0.4206 -0.2839 -0.2839 -0.2564 -0.2564 -0.2533 -0.2533 -0.2239 -0.2239 1.0536 1.0536 1.3559 1.3559 3.6478 3.6478 4.3534 4.3534 6.6489 6.6489 6.7579 6.7579 7.2401 7.2401 7.8206 7.8206 8.3492 8.3492 8.9530 8.9530 10.5221 10.5221 10.6149 10.6149 11.6538 11.6538 k = 0.4420 0.3891-0.0000 ( 4806 PWs) bands (ev): -19.6526 -19.6526 -19.6445 -19.6445 -6.3941 -6.3941 -6.3697 -6.3697 -4.4971 -4.4971 -4.4934 -4.4934 -4.3646 -4.3646 -4.2958 -4.2958 -1.2240 -1.2240 -1.0775 -1.0775 -0.9582 -0.9582 -0.9255 -0.9255 -0.6205 -0.6205 -0.4103 -0.4103 -0.2839 -0.2839 -0.2569 -0.2569 -0.2534 -0.2534 -0.2248 -0.2248 1.0652 1.0652 1.3583 1.3583 3.6671 3.6671 4.3241 4.3241 6.6251 6.6251 6.6604 6.6604 7.2618 7.2618 7.8120 7.8120 8.3778 8.3778 9.0767 9.0767 10.4125 10.4125 10.6536 10.6536 11.7220 11.7220 k = 0.4348 0.4016-0.0000 ( 4806 PWs) bands (ev): -19.6525 -19.6525 -19.6444 -19.6444 -6.3943 -6.3943 -6.3701 -6.3701 -4.4952 -4.4952 -4.4923 -4.4923 -4.3680 -4.3680 -4.2994 -4.2994 -1.2268 -1.2268 -1.0669 -1.0669 -0.9573 -0.9573 -0.9264 -0.9264 -0.6341 -0.6341 -0.4002 -0.4002 -0.2840 -0.2840 -0.2575 -0.2575 -0.2534 -0.2534 -0.2258 -0.2258 1.0781 1.0781 1.3610 1.3610 3.6883 3.6883 4.2929 4.2929 6.5069 6.5069 6.6581 6.6581 7.2857 7.2857 7.8027 7.8027 8.4099 8.4099 9.2005 9.2005 10.3030 10.3030 10.6963 10.6963 11.7938 11.7938 k = 0.4275 0.4142-0.0000 ( 4804 PWs) bands (ev): -19.6524 -19.6524 -19.6442 -19.6442 -6.3946 -6.3946 -6.3705 -6.3705 -4.4932 -4.4932 -4.4909 -4.4909 -4.3717 -4.3717 -4.3032 -4.3032 -1.2294 -1.2294 -1.0558 -1.0558 -0.9563 -0.9563 -0.9273 -0.9273 -0.6477 -0.6477 -0.3905 -0.3905 -0.2840 -0.2840 -0.2582 -0.2582 -0.2535 -0.2535 -0.2267 -0.2267 1.0919 1.0919 1.3639 1.3639 3.7111 3.7111 4.2604 4.2604 6.3864 6.3864 6.6600 6.6600 7.3116 7.3116 7.7928 7.7928 8.4453 8.4453 9.3237 9.3237 10.1960 10.1960 10.7394 10.7394 11.8649 11.8649 k = 0.4203 0.4267-0.0000 ( 4804 PWs) bands (ev): -19.6522 -19.6522 -19.6441 -19.6441 -6.3948 -6.3948 -6.3709 -6.3709 -4.4913 -4.4913 -4.4893 -4.4893 -4.3757 -4.3757 -4.3071 -4.3071 -1.2317 -1.2317 -1.0444 -1.0444 -0.9553 -0.9553 -0.9282 -0.9282 -0.6612 -0.6612 -0.3811 -0.3811 -0.2841 -0.2841 -0.2590 -0.2590 -0.2536 -0.2536 -0.2277 -0.2277 1.1066 1.1066 1.3668 1.3668 3.7353 3.7353 4.2272 4.2272 6.2687 6.2687 6.6618 6.6618 7.3392 7.3392 7.7823 7.7823 8.4838 8.4838 9.4459 9.4459 10.0921 10.0921 10.7805 10.7805 11.8590 11.8590 k = 0.4130 0.4393-0.0000 ( 4792 PWs) bands (ev): -19.6521 -19.6521 -19.6440 -19.6440 -6.3951 -6.3951 -6.3714 -6.3714 -4.4897 -4.4897 -4.4872 -4.4872 -4.3798 -4.3798 -4.3110 -4.3110 -1.2338 -1.2338 -1.0328 -1.0328 -0.9543 -0.9543 -0.9291 -0.9291 -0.6746 -0.6746 -0.3721 -0.3721 -0.2842 -0.2842 -0.2599 -0.2599 -0.2537 -0.2537 -0.2287 -0.2287 1.1219 1.1219 1.3699 1.3699 3.7604 3.7604 4.1937 4.1937 6.1552 6.1552 6.6630 6.6630 7.3680 7.3680 7.7714 7.7714 8.5253 8.5253 9.5661 9.5661 9.9925 9.9925 10.8172 10.8172 11.8244 11.8244 k = 0.4058 0.4518-0.0000 ( 4792 PWs) bands (ev): -19.6520 -19.6520 -19.6439 -19.6439 -6.3954 -6.3954 -6.3718 -6.3718 -4.4884 -4.4884 -4.4847 -4.4847 -4.3840 -4.3840 -4.3149 -4.3149 -1.2357 -1.2357 -1.0211 -1.0211 -0.9533 -0.9533 -0.9299 -0.9299 -0.6878 -0.6878 -0.3636 -0.3636 -0.2842 -0.2842 -0.2608 -0.2608 -0.2539 -0.2539 -0.2296 -0.2296 1.1375 1.1375 1.3729 1.3729 3.7861 3.7861 4.1607 4.1607 6.0468 6.0468 6.6637 6.6637 7.3978 7.3978 7.7602 7.7602 8.5695 8.5695 9.6811 9.6811 9.9004 9.9004 10.8469 10.8469 11.8030 11.8030 k = 0.3986 0.4644-0.0000 ( 4782 PWs) bands (ev): -19.6518 -19.6518 -19.6437 -19.6437 -6.3957 -6.3957 -6.3723 -6.3723 -4.4873 -4.4873 -4.4821 -4.4821 -4.3882 -4.3882 -4.3187 -4.3187 -1.2373 -1.2373 -1.0095 -1.0095 -0.9522 -0.9522 -0.9306 -0.9306 -0.7007 -0.7007 -0.3555 -0.3555 -0.2843 -0.2843 -0.2618 -0.2618 -0.2542 -0.2542 -0.2305 -0.2305 1.1532 1.1532 1.3760 1.3760 3.8117 3.8117 4.1286 4.1286 5.9446 5.9446 6.6638 6.6638 7.4281 7.4281 7.7490 7.7490 8.6161 8.6161 9.7506 9.7506 9.8562 9.8562 10.8673 10.8673 11.7963 11.7963 k = 0.3913 0.4769-0.0000 ( 4782 PWs) bands (ev): -19.6517 -19.6517 -19.6436 -19.6436 -6.3960 -6.3960 -6.3728 -6.3728 -4.4862 -4.4862 -4.4794 -4.4794 -4.3924 -4.3924 -4.3223 -4.3223 -1.2387 -1.2387 -0.9982 -0.9982 -0.9512 -0.9512 -0.9312 -0.9312 -0.7133 -0.7133 -0.3481 -0.3481 -0.2842 -0.2842 -0.2629 -0.2629 -0.2546 -0.2546 -0.2313 -0.2313 1.1687 1.1687 1.3791 1.3791 3.8368 3.8368 4.0979 4.0979 5.8494 5.8494 6.6634 6.6634 7.4582 7.4582 7.7379 7.7379 8.6650 8.6650 9.6897 9.6897 9.9448 9.9448 10.8771 10.8771 11.8033 11.8033 k = 0.3841 0.4895-0.0000 ( 4792 PWs) bands (ev): -19.6516 -19.6516 -19.6435 -19.6435 -6.3962 -6.3962 -6.3732 -6.3732 -4.4853 -4.4853 -4.4767 -4.4767 -4.3966 -4.3966 -4.3256 -4.3256 -1.2398 -1.2398 -0.9874 -0.9874 -0.9501 -0.9501 -0.9315 -0.9315 -0.7253 -0.7253 -0.3412 -0.3412 -0.2841 -0.2841 -0.2640 -0.2640 -0.2550 -0.2550 -0.2320 -0.2320 1.1836 1.1836 1.3822 1.3822 3.8606 3.8606 4.0693 4.0693 5.7623 5.7623 6.6625 6.6625 7.4878 7.4878 7.7272 7.7272 8.7157 8.7157 9.6065 9.6065 10.0580 10.0580 10.8764 10.8764 11.7782 11.7782 k = 0.3768 0.5020-0.0000 ( 4798 PWs) bands (ev): -19.6514 -19.6514 -19.6434 -19.6434 -6.3965 -6.3965 -6.3736 -6.3736 -4.4846 -4.4846 -4.4740 -4.4740 -4.4005 -4.4005 -4.3286 -4.3286 -1.2408 -1.2408 -0.9775 -0.9775 -0.9491 -0.9491 -0.9313 -0.9313 -0.7367 -0.7367 -0.3351 -0.3351 -0.2839 -0.2839 -0.2651 -0.2651 -0.2555 -0.2555 -0.2326 -0.2326 1.1976 1.1976 1.3852 1.3852 3.8826 3.8826 4.0431 4.0431 5.6844 5.6844 6.6612 6.6612 7.5161 7.5161 7.7170 7.7170 8.7680 8.7680 9.5240 9.5240 10.1724 10.1724 10.8663 10.8663 11.7038 11.7038 k = 0.3696 0.5146-0.0000 ( 4796 PWs) bands (ev): -19.6513 -19.6513 -19.6433 -19.6433 -6.3967 -6.3967 -6.3740 -6.3740 -4.4839 -4.4839 -4.4715 -4.4715 -4.4041 -4.4041 -4.3312 -4.3312 -1.2416 -1.2416 -0.9689 -0.9689 -0.9481 -0.9481 -0.9304 -0.9304 -0.7472 -0.7472 -0.3298 -0.3298 -0.2834 -0.2834 -0.2662 -0.2662 -0.2561 -0.2561 -0.2332 -0.2332 1.2103 1.2103 1.3882 1.3882 3.9019 3.9019 4.0199 4.0199 5.6167 5.6167 6.6597 6.6597 7.5422 7.5422 7.7077 7.7077 8.8216 8.8216 9.4444 9.4444 10.2849 10.2849 10.8490 10.8490 11.6271 11.6271 k = 0.3623 0.5271-0.0000 ( 4792 PWs) bands (ev): -19.6512 -19.6512 -19.6432 -19.6432 -6.3969 -6.3969 -6.3744 -6.3744 -4.4835 -4.4835 -4.4692 -4.4692 -4.4074 -4.4074 -4.3334 -4.3334 -1.2422 -1.2422 -0.9623 -0.9623 -0.9473 -0.9473 -0.9286 -0.9286 -0.7566 -0.7566 -0.3254 -0.3254 -0.2827 -0.2827 -0.2673 -0.2673 -0.2567 -0.2567 -0.2336 -0.2336 1.2212 1.2212 1.3911 1.3911 3.9178 3.9178 4.0002 4.0002 5.5602 5.5602 6.6581 6.6581 7.5653 7.5653 7.6998 7.6998 8.8762 8.8762 9.3685 9.3685 10.3933 10.3933 10.8266 10.8266 11.5526 11.5526 k = 0.3551 0.5397-0.0000 ( 4789 PWs) bands (ev): -19.6512 -19.6512 -19.6431 -19.6431 -6.3971 -6.3971 -6.3747 -6.3747 -4.4832 -4.4832 -4.4673 -4.4673 -4.4101 -4.4101 -4.3351 -4.3351 -1.2427 -1.2427 -0.9578 -0.9578 -0.9466 -0.9466 -0.9260 -0.9260 -0.7644 -0.7644 -0.3220 -0.3220 -0.2818 -0.2818 -0.2683 -0.2683 -0.2573 -0.2573 -0.2340 -0.2340 1.2300 1.2300 1.3939 1.3939 3.9296 3.9296 3.9848 3.9848 5.5157 5.5157 6.6566 6.6566 7.5841 7.5841 7.6938 7.6938 8.9315 8.9315 9.2965 9.2965 10.4944 10.4944 10.8015 10.8015 11.4839 11.4839 k = 0.3478 0.5522-0.0000 ( 4791 PWs) bands (ev): -19.6511 -19.6511 -19.6431 -19.6431 -6.3972 -6.3972 -6.3749 -6.3749 -4.4830 -4.4830 -4.4658 -4.4658 -4.4122 -4.4122 -4.3363 -4.3363 -1.2430 -1.2430 -0.9551 -0.9551 -0.9461 -0.9461 -0.9230 -0.9230 -0.7705 -0.7705 -0.3197 -0.3197 -0.2810 -0.2810 -0.2690 -0.2690 -0.2578 -0.2578 -0.2342 -0.2342 1.2365 1.2365 1.3963 1.3963 3.9365 3.9365 3.9745 3.9745 5.4838 5.4838 6.6553 6.6553 7.5976 7.5976 7.6902 7.6902 8.9871 8.9871 9.2288 9.2288 10.5825 10.5825 10.7765 10.7765 11.4258 11.4258 k = 0.3406 0.5648-0.0000 ( 4779 PWs) bands (ev): -19.6511 -19.6511 -19.6431 -19.6431 -6.3973 -6.3973 -6.3750 -6.3750 -4.4829 -4.4829 -4.4648 -4.4648 -4.4135 -4.4135 -4.3371 -4.3371 -1.2432 -1.2432 -0.9538 -0.9538 -0.9458 -0.9458 -0.9207 -0.9207 -0.7742 -0.7742 -0.3184 -0.3184 -0.2803 -0.2803 -0.2695 -0.2695 -0.2582 -0.2582 -0.2344 -0.2344 1.2404 1.2404 1.3980 1.3980 3.9386 3.9386 3.9698 3.9698 5.4648 5.4648 6.6544 6.6544 7.6051 7.6051 7.6891 7.6891 9.0422 9.0422 9.1664 9.1664 10.6463 10.6463 10.7566 10.7566 11.3851 11.3851 k = 0.3333 0.5774-0.0000 ( 4755 PWs) bands (ev): -19.6510 -19.6510 -19.6430 -19.6430 -6.3974 -6.3974 -6.3751 -6.3751 -4.4828 -4.4828 -4.4645 -4.4645 -4.4139 -4.4139 -4.3373 -4.3373 -1.2432 -1.2432 -0.9534 -0.9534 -0.9457 -0.9457 -0.9199 -0.9199 -0.7755 -0.7755 -0.3180 -0.3180 -0.2801 -0.2801 -0.2696 -0.2696 -0.2584 -0.2584 -0.2344 -0.2344 1.2417 1.2417 1.3987 1.3987 3.9386 3.9386 3.9687 3.9687 5.4585 5.4585 6.6541 6.6541 7.6073 7.6073 7.6892 7.6892 9.0827 9.0827 9.1234 9.1234 10.6685 10.6685 10.7508 10.7508 11.3701 11.3701 k = 0.3333 0.5774-0.0000 ( 4755 PWs) bands (ev): -19.6510 -19.6510 -19.6430 -19.6430 -6.3974 -6.3974 -6.3751 -6.3751 -4.4828 -4.4828 -4.4645 -4.4645 -4.4139 -4.4139 -4.3373 -4.3373 -1.2432 -1.2432 -0.9534 -0.9534 -0.9457 -0.9457 -0.9199 -0.9199 -0.7755 -0.7755 -0.3180 -0.3180 -0.2801 -0.2801 -0.2696 -0.2696 -0.2584 -0.2584 -0.2344 -0.2344 1.2417 1.2417 1.3987 1.3987 3.9386 3.9386 3.9687 3.9687 5.4585 5.4585 6.6541 6.6541 7.6073 7.6073 7.6892 7.6892 9.0827 9.0827 9.1234 9.1234 10.6685 10.6685 10.7508 10.7508 11.3701 11.3701 k = 0.3259 0.5645-0.0000 ( 4781 PWs) bands (ev): -19.6511 -19.6511 -19.6431 -19.6431 -6.3973 -6.3973 -6.3750 -6.3750 -4.4829 -4.4829 -4.4648 -4.4648 -4.4135 -4.4135 -4.3371 -4.3371 -1.2432 -1.2432 -0.9538 -0.9538 -0.9458 -0.9458 -0.9208 -0.9208 -0.7742 -0.7742 -0.3184 -0.3184 -0.2803 -0.2803 -0.2696 -0.2696 -0.2582 -0.2582 -0.2344 -0.2344 1.2404 1.2404 1.3978 1.3978 3.9394 3.9394 3.9694 3.9694 5.4649 5.4649 6.6545 6.6545 7.6055 7.6055 7.6884 7.6884 9.0428 9.0428 9.1659 9.1659 10.6555 10.6555 10.7460 10.7460 11.3855 11.3855 k = 0.3185 0.5517-0.0000 ( 4787 PWs) bands (ev): -19.6511 -19.6511 -19.6431 -19.6431 -6.3972 -6.3972 -6.3748 -6.3748 -4.4828 -4.4828 -4.4657 -4.4657 -4.4122 -4.4122 -4.3364 -4.3364 -1.2430 -1.2430 -0.9549 -0.9549 -0.9460 -0.9460 -0.9233 -0.9233 -0.7705 -0.7705 -0.3195 -0.3195 -0.2809 -0.2809 -0.2697 -0.2697 -0.2576 -0.2576 -0.2342 -0.2342 1.2365 1.2365 1.3947 1.3947 3.9426 3.9426 3.9720 3.9720 5.4832 5.4832 6.6559 6.6559 7.6012 7.6012 7.6846 7.6846 8.9924 8.9924 9.2247 9.2247 10.6306 10.6306 10.7213 10.7213 11.4246 11.4246 k = 0.3111 0.5389-0.0000 ( 4791 PWs) bands (ev): -19.6512 -19.6512 -19.6432 -19.6432 -6.3970 -6.3970 -6.3745 -6.3745 -4.4827 -4.4827 -4.4671 -4.4671 -4.4102 -4.4102 -4.3353 -4.3353 -1.2427 -1.2427 -0.9568 -0.9568 -0.9464 -0.9464 -0.9270 -0.9270 -0.7649 -0.7649 -0.3213 -0.3213 -0.2816 -0.2816 -0.2700 -0.2700 -0.2568 -0.2568 -0.2339 -0.2339 1.2301 1.2301 1.3889 1.3889 3.9480 3.9480 3.9781 3.9781 5.5125 5.5125 6.6584 6.6584 7.5950 7.5950 7.6769 7.6769 8.9456 8.9456 9.2859 9.2859 10.6006 10.6006 10.6802 10.6802 11.4684 11.4684 k = 0.3037 0.5260-0.0000 ( 4793 PWs) bands (ev): -19.6513 -19.6513 -19.6433 -19.6433 -6.3968 -6.3968 -6.3741 -6.3741 -4.4825 -4.4825 -4.4687 -4.4687 -4.4075 -4.4075 -4.3338 -4.3338 -1.2424 -1.2424 -0.9599 -0.9599 -0.9469 -0.9469 -0.9309 -0.9309 -0.7577 -0.7577 -0.3238 -0.3238 -0.2825 -0.2825 -0.2706 -0.2706 -0.2559 -0.2559 -0.2335 -0.2335 1.2215 1.2215 1.3800 1.3800 3.9555 3.9555 3.9895 3.9895 5.5516 5.5516 6.6623 6.6623 7.5866 7.5866 7.6652 7.6652 8.9034 8.9034 9.3490 9.3490 10.5622 10.5622 10.6355 10.6355 11.4944 11.4944 k = 0.2963 0.5132-0.0000 ( 4789 PWs) bands (ev): -19.6514 -19.6514 -19.6434 -19.6434 -6.3964 -6.3964 -6.3734 -6.3734 -4.4820 -4.4820 -4.4706 -4.4706 -4.4044 -4.4044 -4.3319 -4.3319 -1.2419 -1.2419 -0.9645 -0.9645 -0.9474 -0.9474 -0.9345 -0.9345 -0.7496 -0.7496 -0.3268 -0.3268 -0.2834 -0.2834 -0.2714 -0.2714 -0.2550 -0.2550 -0.2331 -0.2331 1.2108 1.2108 1.3676 1.3676 3.9654 3.9654 4.0071 4.0071 5.5994 5.5994 6.6677 6.6677 7.5743 7.5743 7.6510 7.6510 8.8660 8.8660 9.4143 9.4143 10.5091 10.5091 10.6000 10.6000 11.4872 11.4872 k = 0.2889 0.5004-0.0000 ( 4787 PWs) bands (ev): -19.6516 -19.6516 -19.6435 -19.6435 -6.3960 -6.3960 -6.3726 -6.3726 -4.4814 -4.4814 -4.4724 -4.4724 -4.4009 -4.4009 -4.3298 -4.3298 -1.2414 -1.2414 -0.9707 -0.9707 -0.9479 -0.9479 -0.9375 -0.9375 -0.7408 -0.7408 -0.3303 -0.3303 -0.2843 -0.2843 -0.2723 -0.2723 -0.2544 -0.2544 -0.2326 -0.2326 1.1980 1.1980 1.3515 1.3515 3.9793 3.9793 4.0307 4.0307 5.6547 5.6547 6.6748 6.6748 7.5553 7.5553 7.6373 7.6373 8.8336 8.8336 9.4819 9.4819 10.4441 10.4441 10.5748 10.5748 11.4478 11.4478 k = 0.2815 0.4875-0.0000 ( 4797 PWs) bands (ev): -19.6518 -19.6518 -19.6437 -19.6437 -6.3954 -6.3954 -6.3717 -6.3717 -4.4805 -4.4805 -4.4742 -4.4742 -4.3972 -4.3972 -4.3275 -4.3275 -1.2407 -1.2407 -0.9780 -0.9780 -0.9484 -0.9484 -0.9398 -0.9398 -0.7317 -0.7317 -0.3344 -0.3344 -0.2853 -0.2853 -0.2732 -0.2732 -0.2539 -0.2539 -0.2321 -0.2321 1.1832 1.1832 1.3318 1.3318 3.9983 3.9983 4.0601 4.0601 5.7166 5.7166 6.6837 6.6837 7.5268 7.5268 7.6270 7.6270 8.8062 8.8062 9.5521 9.5521 10.3736 10.3736 10.5559 10.5559 11.3869 11.3869 k = 0.2741 0.4747-0.0000 ( 4793 PWs) bands (ev): -19.6521 -19.6521 -19.6440 -19.6440 -6.3948 -6.3948 -6.3705 -6.3705 -4.4798 -4.4798 -4.4754 -4.4754 -4.3931 -4.3931 -4.3250 -4.3250 -1.2400 -1.2400 -0.9862 -0.9862 -0.9488 -0.9488 -0.9418 -0.9418 -0.7224 -0.7224 -0.3389 -0.3389 -0.2863 -0.2863 -0.2741 -0.2741 -0.2537 -0.2537 -0.2317 -0.2317 1.1663 1.1663 1.3087 1.3087 4.0235 4.0235 4.0950 4.0950 5.7841 5.7841 6.6947 6.6947 7.4886 7.4886 7.6207 7.6207 8.7839 8.7839 9.6249 9.6249 10.3009 10.3009 10.5412 10.5412 11.3137 11.3137 k = 0.2667 0.4619-0.0000 ( 4789 PWs) bands (ev): -19.6523 -19.6523 -19.6442 -19.6442 -6.3941 -6.3941 -6.3691 -6.3691 -4.4802 -4.4802 -4.4751 -4.4751 -4.3888 -4.3888 -4.3223 -4.3223 -1.2391 -1.2391 -0.9949 -0.9949 -0.9492 -0.9492 -0.9435 -0.9435 -0.7131 -0.7131 -0.3439 -0.3439 -0.2875 -0.2875 -0.2748 -0.2748 -0.2536 -0.2536 -0.2315 -0.2315 1.1471 1.1471 1.2827 1.2827 4.0554 4.0554 4.1351 4.1351 5.8565 5.8565 6.7078 6.7078 7.4420 7.4420 7.6177 7.6177 8.7669 8.7669 9.7005 9.7005 10.2279 10.2279 10.5300 10.5300 11.2339 11.2339 k = 0.2593 0.4491-0.0000 ( 4791 PWs) bands (ev): -19.6527 -19.6527 -19.6445 -19.6445 -6.3932 -6.3932 -6.3676 -6.3676 -4.4815 -4.4815 -4.4733 -4.4733 -4.3844 -4.3844 -4.3196 -4.3196 -1.2382 -1.2382 -1.0038 -1.0038 -0.9495 -0.9495 -0.9450 -0.9450 -0.7039 -0.7039 -0.3493 -0.3493 -0.2888 -0.2888 -0.2755 -0.2755 -0.2537 -0.2537 -0.2315 -0.2315 1.1254 1.1254 1.2545 1.2545 4.0945 4.0945 4.1803 4.1803 5.9331 5.9331 6.7233 6.7233 7.3883 7.3883 7.6170 7.6170 8.7551 8.7551 9.7784 9.7784 10.1560 10.1560 10.5219 10.5219 11.1505 11.1505 k = 0.2519 0.4362-0.0000 ( 4799 PWs) bands (ev): -19.6530 -19.6530 -19.6449 -19.6449 -6.3923 -6.3923 -6.3658 -6.3658 -4.4831 -4.4831 -4.4707 -4.4707 -4.3797 -4.3797 -4.3167 -4.3167 -1.2372 -1.2372 -1.0128 -1.0128 -0.9499 -0.9499 -0.9465 -0.9465 -0.6950 -0.6950 -0.3552 -0.3552 -0.2903 -0.2903 -0.2761 -0.2761 -0.2539 -0.2539 -0.2316 -0.2316 1.1006 1.1006 1.2252 1.2252 4.1409 4.1409 4.2306 4.2306 6.0132 6.0132 6.7411 6.7411 7.3288 7.3288 7.6182 7.6182 8.7485 8.7485 9.8573 9.8573 10.0868 10.0868 10.5167 10.5167 11.0654 11.0654 k = 0.2444 0.4234-0.0000 ( 4799 PWs) bands (ev): -19.6534 -19.6534 -19.6452 -19.6452 -6.3913 -6.3913 -6.3639 -6.3639 -4.4847 -4.4847 -4.4675 -4.4675 -4.3749 -4.3749 -4.3138 -4.3138 -1.2360 -1.2360 -1.0218 -1.0218 -0.9505 -0.9505 -0.9479 -0.9479 -0.6863 -0.6863 -0.3615 -0.3615 -0.2920 -0.2920 -0.2766 -0.2766 -0.2542 -0.2542 -0.2321 -0.2321 1.0721 1.0721 1.1958 1.1958 4.1945 4.1945 4.2858 4.2858 6.0962 6.0962 6.7616 6.7616 7.2643 7.2643 7.6210 7.6210 8.7472 8.7472 9.9279 9.9279 10.0301 10.0301 10.5143 10.5143 10.9798 10.9798 k = 0.2370 0.4106-0.0000 ( 4789 PWs) bands (ev): -19.6538 -19.6538 -19.6456 -19.6456 -6.3902 -6.3902 -6.3617 -6.3617 -4.4864 -4.4864 -4.4637 -4.4637 -4.3699 -4.3699 -4.3109 -4.3109 -1.2347 -1.2347 -1.0306 -1.0306 -0.9515 -0.9515 -0.9489 -0.9489 -0.6779 -0.6779 -0.3682 -0.3682 -0.2938 -0.2938 -0.2770 -0.2770 -0.2546 -0.2546 -0.2327 -0.2327 1.0396 1.0396 1.1673 1.1673 4.2554 4.2554 4.3457 4.3457 6.1817 6.1817 6.7846 6.7846 7.1957 7.1957 7.6252 7.6252 8.7512 8.7512 9.9227 9.9227 10.0533 10.0533 10.5145 10.5145 10.8942 10.8942 k = 0.2296 0.3977-0.0000 ( 4773 PWs) bands (ev): -19.6543 -19.6543 -19.6461 -19.6461 -6.3890 -6.3890 -6.3594 -6.3594 -4.4880 -4.4880 -4.4594 -4.4594 -4.3647 -4.3647 -4.3080 -4.3080 -1.2333 -1.2333 -1.0394 -1.0394 -0.9529 -0.9529 -0.9495 -0.9495 -0.6698 -0.6698 -0.3753 -0.3753 -0.2957 -0.2957 -0.2775 -0.2775 -0.2549 -0.2549 -0.2337 -0.2337 1.0030 1.0030 1.1404 1.1404 4.3232 4.3232 4.4103 4.4103 6.2692 6.2692 6.8103 6.8103 7.1236 7.1236 7.6309 7.6309 8.7604 8.7604 9.8638 9.8638 10.1344 10.1344 10.5171 10.5171 10.8094 10.8094 k = 0.2222 0.3849-0.0000 ( 4775 PWs) bands (ev): -19.6548 -19.6548 -19.6465 -19.6465 -6.3877 -6.3877 -6.3568 -6.3568 -4.4895 -4.4895 -4.4545 -4.4545 -4.3593 -4.3593 -4.3051 -4.3051 -1.2318 -1.2318 -1.0479 -1.0479 -0.9545 -0.9545 -0.9499 -0.9499 -0.6620 -0.6620 -0.3828 -0.3828 -0.2977 -0.2977 -0.2781 -0.2781 -0.2553 -0.2553 -0.2348 -0.2348 0.9628 0.9628 1.1152 1.1152 4.3978 4.3978 4.4794 4.4794 6.3581 6.3581 6.8387 6.8387 7.0489 7.0489 7.6379 7.6379 8.7749 8.7749 9.8007 9.8007 10.2234 10.2234 10.5222 10.5222 10.7256 10.7256 k = 0.2148 0.3721-0.0000 ( 4781 PWs) bands (ev): -19.6553 -19.6553 -19.6470 -19.6470 -6.3864 -6.3864 -6.3541 -6.3541 -4.4911 -4.4911 -4.4491 -4.4491 -4.3537 -4.3537 -4.3023 -4.3023 -1.2301 -1.2301 -1.0563 -1.0563 -0.9563 -0.9563 -0.9502 -0.9502 -0.6546 -0.6546 -0.3907 -0.3907 -0.2999 -0.2999 -0.2787 -0.2787 -0.2556 -0.2556 -0.2362 -0.2362 0.9197 0.9197 1.0915 1.0915 4.4788 4.4788 4.5529 4.5529 6.4481 6.4481 6.8688 6.8688 6.9731 6.9731 7.6463 7.6463 8.7944 8.7944 9.7383 9.7383 10.3143 10.3143 10.5300 10.5300 10.6435 10.6435 k = 0.2074 0.3592-0.0000 ( 4789 PWs) bands (ev): -19.6559 -19.6559 -19.6475 -19.6475 -6.3850 -6.3850 -6.3513 -6.3513 -4.4927 -4.4927 -4.4432 -4.4432 -4.3479 -4.3479 -4.2995 -4.2995 -1.2283 -1.2283 -1.0645 -1.0645 -0.9582 -0.9582 -0.9506 -0.9506 -0.6476 -0.6476 -0.3990 -0.3990 -0.3021 -0.3021 -0.2795 -0.2795 -0.2559 -0.2559 -0.2378 -0.2378 0.8747 0.8747 1.0691 1.0691 4.5660 4.5660 4.6308 4.6308 6.5386 6.5386 6.8788 6.8788 6.9188 6.9188 7.6561 7.6561 8.8190 8.8190 9.6778 9.6778 10.4023 10.4023 10.5411 10.5411 10.5659 10.5659 k = 0.2000 0.3464-0.0000 ( 4791 PWs) bands (ev): -19.6565 -19.6565 -19.6480 -19.6480 -6.3835 -6.3835 -6.3482 -6.3482 -4.4942 -4.4942 -4.4368 -4.4368 -4.3420 -4.3420 -4.2968 -4.2968 -1.2263 -1.2263 -1.0726 -1.0726 -0.9601 -0.9601 -0.9511 -0.9511 -0.6409 -0.6409 -0.4077 -0.4077 -0.3043 -0.3043 -0.2805 -0.2805 -0.2560 -0.2560 -0.2396 -0.2396 0.8284 0.8284 1.0476 1.0476 4.6590 4.6590 4.7129 4.7129 6.6291 6.6291 6.8077 6.8077 6.9474 6.9474 7.6673 7.6673 8.8486 8.8486 9.6193 9.6193 10.4537 10.4537 10.5083 10.5083 10.5726 10.5726 k = 0.1926 0.3336-0.0000 ( 4791 PWs) bands (ev): -19.6571 -19.6571 -19.6486 -19.6486 -6.3820 -6.3820 -6.3451 -6.3451 -4.4958 -4.4958 -4.4299 -4.4299 -4.3358 -4.3358 -4.2942 -4.2942 -1.2241 -1.2241 -1.0805 -1.0805 -0.9620 -0.9620 -0.9516 -0.9516 -0.6346 -0.6346 -0.4167 -0.4167 -0.3066 -0.3066 -0.2817 -0.2817 -0.2561 -0.2561 -0.2415 -0.2415 0.7815 0.7815 1.0268 1.0268 4.7575 4.7575 4.7992 4.7992 6.7174 6.7174 6.7294 6.7294 6.9874 6.9874 7.6798 7.6798 8.8830 8.8830 9.5633 9.5633 10.3940 10.3940 10.5279 10.5279 10.6411 10.6411 k = 0.1852 0.3208-0.0000 ( 4799 PWs) bands (ev): -19.6577 -19.6577 -19.6492 -19.6492 -6.3805 -6.3805 -6.3418 -6.3418 -4.4975 -4.4975 -4.4225 -4.4225 -4.3295 -4.3295 -4.2916 -4.2916 -1.2218 -1.2218 -1.0883 -1.0883 -0.9639 -0.9639 -0.9523 -0.9523 -0.6286 -0.6286 -0.4260 -0.4260 -0.3090 -0.3090 -0.2832 -0.2832 -0.2561 -0.2561 -0.2435 -0.2435 0.7347 0.7347 1.0068 1.0068 4.8612 4.8612 4.8896 4.8896 6.6461 6.6461 6.8088 6.8088 7.0313 7.0313 7.6938 7.6938 8.9221 8.9221 9.5097 9.5097 10.3190 10.3190 10.5410 10.5410 10.7330 10.7330 k = 0.1778 0.3079-0.0000 ( 4795 PWs) bands (ev): -19.6583 -19.6583 -19.6498 -19.6498 -6.3790 -6.3790 -6.3384 -6.3384 -4.4991 -4.4991 -4.4147 -4.4147 -4.3230 -4.3230 -4.2892 -4.2892 -1.2193 -1.2193 -1.0960 -1.0960 -0.9657 -0.9657 -0.9531 -0.9531 -0.6229 -0.6229 -0.4356 -0.4356 -0.3113 -0.3113 -0.2851 -0.2851 -0.2560 -0.2560 -0.2456 -0.2456 0.6883 0.6883 0.9873 0.9873 4.9689 4.9689 4.9849 4.9849 6.5648 6.5648 6.8966 6.8966 7.0788 7.0788 7.7091 7.7091 8.9659 8.9659 9.4587 9.4587 10.2441 10.2441 10.5481 10.5481 10.8308 10.8308 k = 0.1704 0.2951-0.0000 ( 4809 PWs) bands (ev): -19.6590 -19.6590 -19.6504 -19.6504 -6.3774 -6.3774 -6.3349 -6.3349 -4.5008 -4.5008 -4.4065 -4.4065 -4.3163 -4.3163 -4.2868 -4.2868 -1.2166 -1.2166 -1.1037 -1.1037 -0.9675 -0.9675 -0.9541 -0.9541 -0.6176 -0.6176 -0.4454 -0.4454 -0.3137 -0.3137 -0.2872 -0.2872 -0.2558 -0.2558 -0.2477 -0.2477 0.6428 0.6428 0.9683 0.9683 5.0759 5.0759 5.0896 5.0896 6.4838 6.4838 6.9823 6.9823 7.1295 7.1295 7.7259 7.7259 9.0141 9.0141 9.4103 9.4103 10.1707 10.1707 10.5507 10.5507 10.9303 10.9303 k = 0.1630 0.2823-0.0000 ( 4809 PWs) bands (ev): -19.6597 -19.6597 -19.6510 -19.6510 -6.3758 -6.3758 -6.3314 -6.3314 -4.5025 -4.5025 -4.3979 -4.3979 -4.3096 -4.3096 -4.2844 -4.2844 -1.2138 -1.2138 -1.1112 -1.1112 -0.9692 -0.9692 -0.9552 -0.9552 -0.6126 -0.6126 -0.4555 -0.4555 -0.3161 -0.3161 -0.2898 -0.2898 -0.2554 -0.2554 -0.2498 -0.2498 0.5985 0.5985 0.9499 0.9499 5.1794 5.1794 5.2059 5.2059 6.4036 6.4036 7.0654 7.0654 7.1837 7.1837 7.7439 7.7439 9.0665 9.0665 9.3647 9.3647 10.0989 10.0989 10.5477 10.5477 11.0295 11.0295 k = 0.1556 0.2694-0.0000 ( 4811 PWs) bands (ev): -19.6603 -19.6603 -19.6516 -19.6516 -6.3743 -6.3743 -6.3278 -6.3278 -4.5043 -4.5043 -4.3891 -4.3891 -4.3027 -4.3027 -4.2822 -4.2822 -1.2109 -1.2109 -1.1187 -1.1187 -0.9708 -0.9708 -0.9566 -0.9566 -0.6079 -0.6079 -0.4656 -0.4656 -0.3184 -0.3184 -0.2927 -0.2927 -0.2549 -0.2549 -0.2518 -0.2518 0.5557 0.5557 0.9320 0.9320 5.2847 5.2847 5.3284 5.3284 6.3245 6.3245 7.1453 7.1453 7.2412 7.2412 7.7632 7.7632 9.1229 9.1229 9.3220 9.3220 10.0291 10.0291 10.5378 10.5378 11.1267 11.1267 k = 0.1481 0.2566-0.0000 ( 4809 PWs) bands (ev): -19.6610 -19.6610 -19.6523 -19.6523 -6.3727 -6.3727 -6.3242 -6.3242 -4.5061 -4.5061 -4.3800 -4.3800 -4.2958 -4.2958 -4.2799 -4.2799 -1.2080 -1.2080 -1.1261 -1.1261 -0.9723 -0.9723 -0.9582 -0.9582 -0.6036 -0.6036 -0.4758 -0.4758 -0.3208 -0.3208 -0.2959 -0.2959 -0.2546 -0.2546 -0.2534 -0.2534 0.5145 0.5145 0.9146 0.9146 5.3930 5.3930 5.4554 5.4554 6.2468 6.2468 7.2216 7.2216 7.3018 7.3018 7.7838 7.7838 9.1825 9.1825 9.2828 9.2828 9.9614 9.9614 10.5190 10.5190 11.2179 11.2179 k = 0.1407 0.2438-0.0000 ( 4805 PWs) bands (ev): -19.6617 -19.6617 -19.6529 -19.6529 -6.3712 -6.3712 -6.3206 -6.3206 -4.5079 -4.5079 -4.3708 -4.3708 -4.2890 -4.2890 -4.2775 -4.2775 -1.2051 -1.2051 -1.1333 -1.1333 -0.9737 -0.9737 -0.9600 -0.9600 -0.5996 -0.5996 -0.4858 -0.4858 -0.3231 -0.3231 -0.2995 -0.2995 -0.2560 -0.2560 -0.2532 -0.2532 0.4753 0.4753 0.8979 0.8979 5.5045 5.5045 5.5865 5.5865 6.1710 6.1710 7.2940 7.2940 7.3652 7.3652 7.8053 7.8053 9.2295 9.2295 9.2626 9.2626 9.8959 9.8959 10.4896 10.4896 11.2822 11.2822 k = 0.1333 0.2309-0.0000 ( 4809 PWs) bands (ev): -19.6624 -19.6624 -19.6535 -19.6535 -6.3698 -6.3698 -6.3170 -6.3170 -4.5097 -4.5097 -4.3615 -4.3615 -4.2826 -4.2826 -4.2748 -4.2748 -1.2025 -1.2025 -1.1401 -1.1401 -0.9749 -0.9749 -0.9621 -0.9621 -0.5962 -0.5962 -0.4955 -0.4955 -0.3254 -0.3254 -0.3033 -0.3033 -0.2579 -0.2579 -0.2523 -0.2523 0.4380 0.4380 0.8816 0.8816 5.6191 5.6191 5.7215 5.7215 6.0973 6.0973 7.3625 7.3625 7.4309 7.4309 7.8279 7.8279 9.2042 9.2042 9.3208 9.3208 9.8329 9.8329 10.4479 10.4479 11.2645 11.2645 k = 0.1259 0.2181-0.0000 ( 4815 PWs) bands (ev): -19.6630 -19.6630 -19.6541 -19.6541 -6.3684 -6.3684 -6.3134 -6.3134 -4.5115 -4.5115 -4.3521 -4.3521 -4.2774 -4.2774 -4.2709 -4.2709 -1.2003 -1.2003 -1.1463 -1.1463 -0.9761 -0.9761 -0.9644 -0.9644 -0.5934 -0.5934 -0.5047 -0.5047 -0.3277 -0.3277 -0.3074 -0.3074 -0.2598 -0.2598 -0.2512 -0.2512 0.4029 0.4029 0.8661 0.8661 5.7365 5.7365 5.8599 5.8599 6.0262 6.0262 7.4267 7.4267 7.4987 7.4987 7.8512 7.8512 9.1719 9.1719 9.3917 9.3917 9.7725 9.7725 10.3931 10.3931 11.2079 11.2079 k = 0.1185 0.2053-0.0000 ( 4819 PWs) bands (ev): -19.6637 -19.6637 -19.6547 -19.6547 -6.3670 -6.3670 -6.3100 -6.3100 -4.5133 -4.5133 -4.3429 -4.3429 -4.2739 -4.2739 -4.2653 -4.2653 -1.1992 -1.1992 -1.1514 -1.1514 -0.9771 -0.9771 -0.9669 -0.9669 -0.5914 -0.5914 -0.5130 -0.5130 -0.3300 -0.3300 -0.3117 -0.3117 -0.2616 -0.2616 -0.2500 -0.2500 0.3700 0.3700 0.8511 0.8511 5.8558 5.8558 5.9558 5.9558 6.0048 6.0048 7.4860 7.4860 7.5689 7.5689 7.8751 7.8751 9.1410 9.1410 9.4666 9.4666 9.7149 9.7149 10.3249 10.3249 11.1469 11.1469 k = 0.1111 0.1925-0.0000 ( 4819 PWs) bands (ev): -19.6643 -19.6643 -19.6553 -19.6553 -6.3657 -6.3657 -6.3066 -6.3066 -4.5151 -4.5151 -4.3338 -4.3338 -4.2713 -4.2713 -4.2589 -4.2589 -1.1996 -1.1996 -1.1549 -1.1549 -0.9782 -0.9782 -0.9696 -0.9696 -0.5906 -0.5906 -0.5200 -0.5200 -0.3323 -0.3323 -0.3160 -0.3160 -0.2635 -0.2635 -0.2487 -0.2487 0.3394 0.3394 0.8368 0.8368 5.8871 5.8871 5.9834 5.9834 6.1486 6.1486 7.5398 7.5398 7.6415 7.6415 7.8995 7.8995 9.1116 9.1116 9.5446 9.5446 9.6604 9.6604 10.2438 10.2438 11.0869 11.0869 k = 0.1037 0.1796-0.0000 ( 4827 PWs) bands (ev): -19.6649 -19.6649 -19.6559 -19.6559 -6.3645 -6.3645 -6.3033 -6.3033 -4.5169 -4.5169 -4.3252 -4.3252 -4.2689 -4.2689 -4.2523 -4.2523 -1.2020 -1.2020 -1.1562 -1.1562 -0.9793 -0.9793 -0.9723 -0.9723 -0.5912 -0.5912 -0.5253 -0.5253 -0.3347 -0.3347 -0.3203 -0.3203 -0.2652 -0.2652 -0.2473 -0.2473 0.3110 0.3110 0.8233 0.8233 5.8256 5.8256 6.1080 6.1080 6.2971 6.2971 7.5877 7.5877 7.7168 7.7168 7.9241 7.9241 9.0838 9.0838 9.6053 9.6053 9.6292 9.6292 10.1508 10.1508 11.0294 11.0294 k = 0.0963 0.1668-0.0000 ( 4821 PWs) bands (ev): -19.6655 -19.6655 -19.6564 -19.6564 -6.3633 -6.3633 -6.3002 -6.3002 -4.5186 -4.5186 -4.3170 -4.3170 -4.2664 -4.2664 -4.2459 -4.2459 -1.2063 -1.2063 -1.1554 -1.1554 -0.9808 -0.9808 -0.9748 -0.9748 -0.5936 -0.5936 -0.5286 -0.5286 -0.3374 -0.3374 -0.3245 -0.3245 -0.2670 -0.2670 -0.2458 -0.2458 0.2849 0.2849 0.8105 0.8105 5.7660 5.7660 6.2363 6.2363 6.4486 6.4486 7.6298 7.6298 7.7944 7.7944 7.9488 7.9488 9.0571 9.0571 9.5587 9.5587 9.7104 9.7104 10.0474 10.0474 10.9742 10.9743 k = 0.0889 0.1540-0.0000 ( 4827 PWs) bands (ev): -19.6661 -19.6661 -19.6569 -19.6569 -6.3622 -6.3622 -6.2972 -6.2972 -4.5202 -4.5202 -4.3094 -4.3094 -4.2636 -4.2636 -4.2396 -4.2396 -1.2120 -1.2120 -1.1531 -1.1531 -0.9832 -0.9832 -0.9765 -0.9765 -0.5975 -0.5975 -0.5299 -0.5299 -0.3404 -0.3404 -0.3283 -0.3283 -0.2687 -0.2687 -0.2443 -0.2443 0.2610 0.2610 0.7985 0.7985 5.7098 5.7098 6.3670 6.3670 6.6028 6.6028 7.6662 7.6662 7.8736 7.8736 7.9737 7.9737 9.0316 9.0316 9.5126 9.5126 9.7958 9.7958 9.9351 9.9351 10.9173 10.9174 k = 0.0815 0.1411-0.0000 ( 4819 PWs) bands (ev): -19.6666 -19.6666 -19.6574 -19.6574 -6.3612 -6.3612 -6.2943 -6.2943 -4.5218 -4.5218 -4.3028 -4.3028 -4.2604 -4.2604 -4.2335 -4.2335 -1.2185 -1.2185 -1.1497 -1.1497 -0.9863 -0.9863 -0.9775 -0.9775 -0.6026 -0.6026 -0.5295 -0.5295 -0.3439 -0.3439 -0.3315 -0.3315 -0.2703 -0.2703 -0.2427 -0.2427 0.2393 0.2393 0.7873 0.7873 5.6573 5.6573 6.4999 6.4999 6.7595 6.7595 7.6973 7.6973 7.9520 7.9520 8.0008 8.0008 9.0071 9.0071 9.4687 9.4687 9.8128 9.8128 9.8852 9.8852 10.8211 10.8211 k = 0.0741 0.1283-0.0000 ( 4819 PWs) bands (ev): -19.6671 -19.6671 -19.6579 -19.6579 -6.3603 -6.3603 -6.2917 -6.2917 -4.5232 -4.5232 -4.2970 -4.2970 -4.2569 -4.2569 -4.2278 -4.2278 -1.2254 -1.2254 -1.1457 -1.1457 -0.9900 -0.9900 -0.9781 -0.9781 -0.6085 -0.6085 -0.5277 -0.5277 -0.3478 -0.3478 -0.3341 -0.3341 -0.2719 -0.2719 -0.2412 -0.2412 0.2198 0.2198 0.7769 0.7769 5.6086 5.6086 6.6347 6.6347 6.9184 6.9184 7.7236 7.7236 8.0085 8.0085 8.0503 8.0503 8.9835 8.9835 9.4262 9.4262 9.6870 9.6870 9.9728 9.9728 10.7046 10.7046 k = 0.0667 0.1155-0.0000 ( 4807 PWs) bands (ev): -19.6676 -19.6676 -19.6583 -19.6583 -6.3594 -6.3594 -6.2893 -6.2893 -4.5246 -4.5246 -4.2923 -4.2923 -4.2529 -4.2529 -4.2225 -4.2225 -1.2323 -1.2323 -1.1413 -1.1413 -0.9940 -0.9940 -0.9784 -0.9784 -0.6146 -0.6146 -0.5252 -0.5252 -0.3521 -0.3521 -0.3362 -0.3362 -0.2734 -0.2734 -0.2397 -0.2397 0.2023 0.2023 0.7674 0.7674 5.5639 5.5639 6.7710 6.7710 7.0792 7.0792 7.7454 7.7454 8.0351 8.0351 8.1294 8.1294 8.9608 8.9608 9.3844 9.3844 9.5554 9.5554 10.0614 10.0614 10.5881 10.5881 k = 0.0593 0.1026-0.0000 ( 4803 PWs) bands (ev): -19.6680 -19.6680 -19.6587 -19.6587 -6.3587 -6.3587 -6.2870 -6.2870 -4.5259 -4.5259 -4.2886 -4.2886 -4.2486 -4.2486 -4.2176 -4.2176 -1.2391 -1.2391 -1.1366 -1.1366 -0.9981 -0.9981 -0.9785 -0.9785 -0.6206 -0.6206 -0.5220 -0.5220 -0.3566 -0.3566 -0.3379 -0.3379 -0.2748 -0.2748 -0.2383 -0.2383 0.1868 0.1868 0.7589 0.7589 5.5235 5.5235 6.9085 6.9085 7.2414 7.2414 7.7633 7.7633 8.0565 8.0565 8.2125 8.2125 8.9392 8.9392 9.3418 9.3418 9.4199 9.4199 10.1490 10.1490 10.4744 10.4744 k = 0.0519 0.0898-0.0000 ( 4791 PWs) bands (ev): -19.6684 -19.6684 -19.6590 -19.6590 -6.3580 -6.3580 -6.2851 -6.2851 -4.5270 -4.5270 -4.2857 -4.2857 -4.2442 -4.2442 -4.2132 -4.2132 -1.2454 -1.2454 -1.1320 -1.1320 -1.0023 -1.0023 -0.9786 -0.9786 -0.6263 -0.6263 -0.5187 -0.5187 -0.3610 -0.3610 -0.3393 -0.3393 -0.2760 -0.2760 -0.2369 -0.2369 0.1734 0.1734 0.7512 0.7512 5.4875 5.4875 7.0465 7.0465 7.4046 7.4046 7.7779 7.7779 8.0756 8.0756 8.2953 8.2953 8.9186 8.9186 9.2815 9.2815 9.2971 9.2971 10.2319 10.2319 10.3663 10.3663 k = 0.0444 0.0770-0.0000 ( 4795 PWs) bands (ev): -19.6687 -19.6687 -19.6593 -19.6593 -6.3575 -6.3575 -6.2833 -6.2833 -4.5280 -4.5280 -4.2835 -4.2835 -4.2400 -4.2400 -4.2092 -4.2092 -1.2513 -1.2513 -1.1275 -1.1275 -1.0063 -1.0063 -0.9786 -0.9786 -0.6315 -0.6315 -0.5152 -0.5152 -0.3653 -0.3653 -0.3405 -0.3405 -0.2772 -0.2772 -0.2357 -0.2357 0.1618 0.1618 0.7446 0.7446 5.4560 5.4560 7.1843 7.1843 7.5680 7.5680 7.7898 7.7898 8.0926 8.0926 8.3761 8.3761 8.8989 8.8989 9.1426 9.1426 9.2472 9.2472 10.2476 10.2476 10.3086 10.3086 k = 0.0370 0.0642-0.0000 ( 4787 PWs) bands (ev): -19.6690 -19.6690 -19.6596 -19.6596 -6.3570 -6.3570 -6.2818 -6.2818 -4.5289 -4.5289 -4.2819 -4.2819 -4.2361 -4.2361 -4.2058 -4.2058 -1.2564 -1.2564 -1.1233 -1.1233 -1.0101 -1.0101 -0.9786 -0.9786 -0.6361 -0.6361 -0.5119 -0.5119 -0.3692 -0.3692 -0.3414 -0.3414 -0.2782 -0.2782 -0.2346 -0.2346 0.1521 0.1521 0.7389 0.7389 5.4291 5.4291 7.3204 7.3204 7.7302 7.7302 7.7999 7.7999 8.1075 8.1075 8.4527 8.4527 8.8797 8.8797 9.0041 9.0041 9.1907 9.1907 10.1527 10.1527 10.2028 10.2028 k = 0.0296 0.0513-0.0000 ( 4781 PWs) bands (ev): -19.6692 -19.6692 -19.6598 -19.6598 -6.3566 -6.3566 -6.2806 -6.2806 -4.5296 -4.5296 -4.2807 -4.2807 -4.2327 -4.2327 -4.2030 -4.2030 -1.2608 -1.2608 -1.1195 -1.1195 -1.0136 -1.0136 -0.9786 -0.9786 -0.6399 -0.6399 -0.5088 -0.5088 -0.3727 -0.3727 -0.3422 -0.3422 -0.2790 -0.2790 -0.2336 -0.2336 0.1442 0.1442 0.7342 0.7342 5.4070 5.4070 7.4525 7.4525 7.8066 7.8066 7.8923 7.8923 8.1202 8.1202 8.5220 8.5220 8.8587 8.8587 8.8700 8.8700 9.1265 9.1265 10.0565 10.0565 10.0987 10.0987 k = 0.0222 0.0385-0.0000 ( 4781 PWs) bands (ev): -19.6694 -19.6694 -19.6600 -19.6600 -6.3563 -6.3563 -6.2796 -6.2796 -4.5301 -4.5301 -4.2798 -4.2798 -4.2299 -4.2299 -4.2008 -4.2008 -1.2643 -1.2643 -1.1162 -1.1162 -1.0165 -1.0165 -0.9785 -0.9785 -0.6430 -0.6430 -0.5062 -0.5062 -0.3756 -0.3756 -0.3428 -0.3428 -0.2796 -0.2796 -0.2329 -0.2329 0.1382 0.1382 0.7306 0.7306 5.3897 5.3897 7.5758 7.5758 7.8153 7.8153 8.0470 8.0470 8.1314 8.1314 8.5785 8.5785 8.7405 8.7405 8.8374 8.8374 9.0578 9.0578 9.9696 9.9696 10.0202 10.0202 k = 0.0148 0.0257-0.0000 ( 4785 PWs) bands (ev): -19.6695 -19.6695 -19.6601 -19.6601 -6.3561 -6.3561 -6.2789 -6.2789 -4.5305 -4.5305 -4.2792 -4.2792 -4.2279 -4.2279 -4.1992 -4.1992 -1.2668 -1.2668 -1.1138 -1.1138 -1.0188 -1.0188 -0.9785 -0.9785 -0.6452 -0.6452 -0.5043 -0.5043 -0.3778 -0.3778 -0.3432 -0.3432 -0.2801 -0.2801 -0.2323 -0.2323 0.1338 0.1338 0.7279 0.7279 5.3773 5.3773 7.6799 7.6799 7.8272 7.8272 8.1339 8.1339 8.1990 8.1990 8.6042 8.6042 8.6365 8.6365 8.8084 8.8084 8.9954 8.9954 9.9028 9.9028 9.9637 9.9637 k = 0.0074 0.0128-0.0000 ( 4777 PWs) bands (ev): -19.6696 -19.6696 -19.6602 -19.6602 -6.3559 -6.3559 -6.2785 -6.2785 -4.5308 -4.5308 -4.2789 -4.2789 -4.2266 -4.2266 -4.1982 -4.1982 -1.2684 -1.2684 -1.1122 -1.1122 -1.0203 -1.0203 -0.9784 -0.9784 -0.6465 -0.6465 -0.5030 -0.5030 -0.3792 -0.3792 -0.3434 -0.3434 -0.2804 -0.2804 -0.2320 -0.2320 0.1312 0.1312 0.7264 0.7264 5.3699 5.3699 7.7443 7.7443 7.8489 7.8489 8.1399 8.1399 8.3238 8.3238 8.5370 8.5370 8.6163 8.6163 8.7815 8.7815 8.9552 8.9552 9.8613 9.8613 9.9292 9.9292 k = 0.0000 0.0000 0.0000 ( 4769 PWs) bands (ev): -19.6696 -19.6696 -19.6602 -19.6602 -6.3559 -6.3559 -6.2783 -6.2783 -4.5309 -4.5309 -4.2788 -4.2788 -4.2262 -4.2262 -4.1979 -4.1979 -1.2689 -1.2689 -1.1117 -1.1117 -1.0207 -1.0207 -0.9784 -0.9784 -0.6470 -0.6470 -0.5026 -0.5026 -0.3797 -0.3797 -0.3435 -0.3435 -0.2805 -0.2805 -0.2319 -0.2319 0.1304 0.1304 0.7258 0.7258 5.3674 5.3674 7.7620 7.7620 7.8645 7.8645 8.1415 8.1415 8.3858 8.3858 8.5046 8.5046 8.5942 8.5942 8.7729 8.7729 8.9424 8.9424 9.8472 9.8472 9.9176 9.9176 k = 0.0000 0.0000 0.0000 ( 4769 PWs) bands (ev): -19.6696 -19.6696 -19.6602 -19.6602 -6.3559 -6.3559 -6.2783 -6.2783 -4.5309 -4.5309 -4.2788 -4.2788 -4.2262 -4.2262 -4.1979 -4.1979 -1.2689 -1.2689 -1.1117 -1.1117 -1.0207 -1.0207 -0.9784 -0.9784 -0.6470 -0.6470 -0.5026 -0.5026 -0.3797 -0.3797 -0.3435 -0.3435 -0.2805 -0.2805 -0.2319 -0.2319 0.1304 0.1304 0.7258 0.7258 5.3674 5.3674 7.7620 7.7620 7.8645 7.8645 8.1415 8.1415 8.3858 8.3858 8.5046 8.5046 8.5942 8.5942 8.7729 8.7729 8.9424 8.9424 9.8472 9.8472 9.9176 9.9176 k = 0.0000 0.0000 0.0147 ( 4775 PWs) bands (ev): -19.6696 -19.6696 -19.6602 -19.6602 -6.3557 -6.3557 -6.2785 -6.2785 -4.5304 -4.5304 -4.2794 -4.2794 -4.2262 -4.2262 -4.1980 -4.1980 -1.2684 -1.2684 -1.1119 -1.1119 -1.0207 -1.0207 -0.9785 -0.9785 -0.6466 -0.6466 -0.5028 -0.5028 -0.3796 -0.3796 -0.3436 -0.3436 -0.2804 -0.2804 -0.2320 -0.2320 0.1313 0.1313 0.7241 0.7241 5.3712 5.3712 7.7632 7.7632 7.8658 7.8658 8.1028 8.1028 8.4150 8.4150 8.5051 8.5051 8.5913 8.5913 8.7693 8.7693 8.9516 8.9516 9.8494 9.8494 9.9198 9.9198 k = 0.0000 0.0000 0.0294 ( 4775 PWs) bands (ev): -19.6696 -19.6696 -19.6603 -19.6603 -6.3552 -6.3552 -6.2790 -6.2790 -4.5291 -4.5291 -4.2814 -4.2814 -4.2260 -4.2260 -4.1982 -4.1982 -1.2668 -1.2668 -1.1125 -1.1125 -1.0204 -1.0204 -0.9788 -0.9788 -0.6454 -0.6454 -0.5035 -0.5035 -0.3793 -0.3793 -0.3438 -0.3438 -0.2801 -0.2801 -0.2323 -0.2323 0.1339 0.1339 0.7190 0.7190 5.3828 5.3828 7.7669 7.7669 7.8696 7.8696 8.0174 8.0174 8.4709 8.4709 8.5067 8.5067 8.5828 8.5828 8.7587 8.7587 8.9797 8.9797 9.8557 9.8557 9.9264 9.9264 k = 0.0000 0.0000 0.0441 ( 4781 PWs) bands (ev): -19.6695 -19.6695 -19.6604 -19.6604 -6.3543 -6.3543 -6.2797 -6.2797 -4.5268 -4.5268 -4.2846 -4.2846 -4.2257 -4.2257 -4.1985 -4.1985 -1.2642 -1.2642 -1.1135 -1.1135 -1.0199 -1.0199 -0.9792 -0.9792 -0.6435 -0.6435 -0.5046 -0.5046 -0.3789 -0.3789 -0.3442 -0.3442 -0.2796 -0.2796 -0.2328 -0.2328 0.1383 0.1383 0.7106 0.7106 5.4019 5.4019 7.7729 7.7729 7.8759 7.8759 7.9147 7.9147 8.5093 8.5093 8.5222 8.5222 8.5704 8.5704 8.7415 8.7415 9.0277 9.0277 9.8663 9.8663 9.9374 9.9374 k = 0.0000 0.0000 0.0588 ( 4781 PWs) bands (ev): -19.6693 -19.6693 -19.6605 -19.6605 -6.3531 -6.3531 -6.2808 -6.2808 -4.5237 -4.5237 -4.2890 -4.2890 -4.2253 -4.2253 -4.1989 -4.1989 -1.2607 -1.2607 -1.1150 -1.1150 -1.0193 -1.0193 -0.9799 -0.9799 -0.6409 -0.6409 -0.5062 -0.5062 -0.3784 -0.3784 -0.3447 -0.3447 -0.2788 -0.2788 -0.2335 -0.2335 0.1445 0.1445 0.6991 0.6991 5.4286 5.4286 7.7812 7.7812 7.8044 7.8044 7.8847 7.8847 8.5129 8.5129 8.5407 8.5407 8.5738 8.5738 8.7184 8.7184 9.0944 9.0944 9.8812 9.8812 9.9529 9.9529 k = 0.0000 0.0000 0.0735 ( 4781 PWs) bands (ev): -19.6692 -19.6692 -19.6607 -19.6607 -6.3515 -6.3515 -6.2821 -6.2821 -4.5198 -4.5198 -4.2945 -4.2945 -4.2247 -4.2247 -4.1994 -4.1994 -1.2562 -1.2562 -1.1168 -1.1168 -1.0186 -1.0186 -0.9807 -0.9807 -0.6376 -0.6376 -0.5082 -0.5082 -0.3777 -0.3777 -0.3454 -0.3454 -0.2779 -0.2779 -0.2344 -0.2344 0.1525 0.1525 0.6845 0.6845 5.4625 5.4625 7.6903 7.6903 7.7920 7.7920 7.8959 7.8959 8.5174 8.5174 8.5202 8.5202 8.5994 8.5994 8.6901 8.6901 9.1765 9.1765 9.9002 9.9002 9.9727 9.9727 k = 0.0000 0.0000 0.0882 ( 4781 PWs) bands (ev): -19.6690 -19.6690 -19.6609 -19.6609 -6.3497 -6.3497 -6.2837 -6.2837 -4.5150 -4.5150 -4.3012 -4.3012 -4.2241 -4.2241 -4.2001 -4.2001 -1.2510 -1.2510 -1.1191 -1.1191 -1.0176 -1.0176 -0.9816 -0.9816 -0.6336 -0.6336 -0.5107 -0.5107 -0.3769 -0.3769 -0.3462 -0.3462 -0.2768 -0.2768 -0.2355 -0.2355 0.1623 0.1623 0.6672 0.6672 5.5035 5.5035 7.5740 7.5740 7.8051 7.8051 7.9097 7.9097 8.4928 8.4928 8.5228 8.5228 8.6186 8.6186 8.6575 8.6575 9.2699 9.2699 9.9235 9.9235 9.9969 9.9969 k = 0.0000 0.0000 0.1029 ( 4787 PWs) bands (ev): -19.6687 -19.6687 -19.6612 -19.6612 -6.3475 -6.3475 -6.2856 -6.2856 -4.5093 -4.5093 -4.3088 -4.3088 -4.2234 -4.2234 -4.2008 -4.2008 -1.2451 -1.2451 -1.1218 -1.1218 -1.0165 -1.0165 -0.9828 -0.9828 -0.6290 -0.6290 -0.5136 -0.5136 -0.3759 -0.3759 -0.3471 -0.3471 -0.2755 -0.2755 -0.2368 -0.2368 0.1738 0.1738 0.6474 0.6474 5.5514 5.5514 7.4568 7.4568 7.8205 7.8205 7.9259 7.9259 8.4615 8.4615 8.5291 8.5291 8.6215 8.6215 8.6314 8.6314 9.3706 9.3706 9.9509 9.9509 10.0254 10.0254 k = 0.0000 0.0000 0.1176 ( 4805 PWs) bands (ev): -19.6684 -19.6684 -19.6614 -19.6614 -6.3451 -6.3451 -6.2878 -6.2878 -4.5029 -4.5029 -4.3174 -4.3174 -4.2226 -4.2226 -4.2016 -4.2016 -1.2386 -1.2386 -1.1250 -1.1250 -1.0153 -1.0153 -0.9840 -0.9840 -0.6238 -0.6238 -0.5170 -0.5170 -0.3749 -0.3749 -0.3482 -0.3482 -0.2741 -0.2741 -0.2382 -0.2382 0.1872 0.1872 0.6254 0.6254 5.6058 5.6058 7.3392 7.3392 7.8381 7.8381 7.9444 7.9444 8.4276 8.4276 8.5361 8.5361 8.5828 8.5828 8.6393 8.6393 9.4762 9.4762 9.9825 9.9825 10.0582 10.0582 k = 0.0000 0.0000 0.1324 ( 4805 PWs) bands (ev): -19.6681 -19.6681 -19.6618 -19.6618 -6.3424 -6.3424 -6.2902 -6.2902 -4.4957 -4.4957 -4.3267 -4.3267 -4.2216 -4.2216 -4.2026 -4.2026 -1.2316 -1.2316 -1.1285 -1.1285 -1.0139 -1.0139 -0.9854 -0.9854 -0.6182 -0.6182 -0.5208 -0.5208 -0.3737 -0.3737 -0.3494 -0.3494 -0.2725 -0.2725 -0.2398 -0.2398 0.2023 0.2023 0.6015 0.6015 5.6664 5.6664 7.2219 7.2219 7.8580 7.8580 7.9654 7.9654 8.3916 8.3916 8.5422 8.5422 8.5438 8.5438 8.6439 8.6439 9.5848 9.5848 10.0183 10.0183 10.0954 10.0954 k = 0.0000 0.0000 0.1471 ( 4799 PWs) bands (ev): -19.6678 -19.6678 -19.6621 -19.6621 -6.3395 -6.3395 -6.2928 -6.2928 -4.4878 -4.4878 -4.3368 -4.3368 -4.2206 -4.2206 -4.2036 -4.2036 -1.2243 -1.2243 -1.1325 -1.1325 -1.0124 -1.0124 -0.9869 -0.9869 -0.6122 -0.6122 -0.5250 -0.5250 -0.3724 -0.3724 -0.3507 -0.3507 -0.2708 -0.2708 -0.2415 -0.2415 0.2192 0.2192 0.5760 0.5760 5.7330 5.7330 7.1053 7.1053 7.8800 7.8800 7.9886 7.9886 8.3541 8.3541 8.5003 8.5003 8.5520 8.5520 8.6457 8.6457 9.6953 9.6953 10.0581 10.0581 10.1368 10.1368 k = 0.0000 0.0000 0.1618 ( 4775 PWs) bands (ev): -19.6674 -19.6674 -19.6624 -19.6624 -6.3364 -6.3364 -6.2956 -6.2956 -4.4792 -4.4792 -4.3474 -4.3474 -4.2196 -4.2196 -4.2047 -4.2047 -1.2168 -1.2168 -1.1369 -1.1369 -1.0108 -1.0108 -0.9886 -0.9886 -0.6058 -0.6058 -0.5296 -0.5296 -0.3710 -0.3710 -0.3520 -0.3520 -0.2689 -0.2689 -0.2433 -0.2433 0.2378 0.2378 0.5492 0.5492 5.8052 5.8052 6.9897 6.9897 7.9042 7.9042 8.0142 8.0142 8.3157 8.3157 8.4577 8.4577 8.5607 8.5607 8.6454 8.6454 9.8069 9.8069 10.1019 10.1019 10.1824 10.1824 k = 0.0000 0.0000 0.1765 ( 4763 PWs) bands (ev): -19.6670 -19.6670 -19.6628 -19.6628 -6.3332 -6.3332 -6.2986 -6.2986 -4.4700 -4.4700 -4.3584 -4.3584 -4.2184 -4.2184 -4.2058 -4.2058 -1.2091 -1.2091 -1.1417 -1.1417 -1.0091 -1.0091 -0.9903 -0.9903 -0.5991 -0.5991 -0.5347 -0.5347 -0.3695 -0.3695 -0.3535 -0.3535 -0.2669 -0.2669 -0.2453 -0.2453 0.2580 0.2580 0.5216 0.5216 5.8827 5.8827 6.8756 6.8756 7.9303 7.9303 8.0419 8.0419 8.2769 8.2769 8.4149 8.4149 8.5697 8.5697 8.6434 8.6434 9.9193 9.9193 10.1497 10.1497 10.2322 10.2322 k = 0.0000 0.0000 0.1912 ( 4781 PWs) bands (ev): -19.6666 -19.6666 -19.6632 -19.6632 -6.3298 -6.3298 -6.3018 -6.3018 -4.4602 -4.4602 -4.3698 -4.3698 -4.2173 -4.2173 -4.2070 -4.2070 -1.2014 -1.2014 -1.1470 -1.1470 -1.0074 -1.0074 -0.9921 -0.9921 -0.5923 -0.5923 -0.5401 -0.5401 -0.3680 -0.3680 -0.3550 -0.3550 -0.2649 -0.2649 -0.2473 -0.2473 0.2799 0.2799 0.4933 0.4933 5.9651 5.9651 6.7632 6.7632 7.9585 7.9585 8.0717 8.0717 8.2380 8.2380 8.3723 8.3723 8.5788 8.5788 8.6398 8.6398 10.0319 10.0319 10.2012 10.2012 10.2862 10.2862 k = 0.0000 0.0000 0.2059 ( 4781 PWs) bands (ev): -19.6662 -19.6662 -19.6636 -19.6636 -6.3263 -6.3263 -6.3051 -6.3051 -4.4498 -4.4498 -4.3814 -4.3814 -4.2160 -4.2160 -4.2083 -4.2083 -1.1937 -1.1937 -1.1526 -1.1526 -1.0055 -1.0055 -0.9939 -0.9939 -0.5854 -0.5854 -0.5458 -0.5458 -0.3664 -0.3664 -0.3566 -0.3566 -0.2627 -0.2627 -0.2494 -0.2494 0.3032 0.3032 0.4648 0.4648 6.0521 6.0521 6.6529 6.6529 7.9884 7.9884 8.1035 8.1035 8.1994 8.1994 8.3302 8.3302 8.5880 8.5880 8.6349 8.6349 10.1442 10.1442 10.2562 10.2562 10.3442 10.3442 k = 0.0000 0.0000 0.2206 ( 4774 PWs) bands (ev): -19.6658 -19.6658 -19.6641 -19.6641 -6.3228 -6.3228 -6.3085 -6.3085 -4.4391 -4.4391 -4.3931 -4.3931 -4.2147 -4.2147 -4.2095 -4.2095 -1.1862 -1.1862 -1.1587 -1.1587 -1.0036 -1.0036 -0.9959 -0.9959 -0.5785 -0.5785 -0.5519 -0.5519 -0.3648 -0.3648 -0.3582 -0.3582 -0.2606 -0.2606 -0.2516 -0.2516 0.3278 0.3278 0.4363 0.4363 6.1435 6.1435 6.5450 6.5450 8.0201 8.0201 8.1373 8.1373 8.1614 8.1614 8.2890 8.2890 8.5971 8.5971 8.6289 8.6289 10.2549 10.2549 10.3138 10.3138 10.4061 10.4061 k = 0.0000 0.0000 0.2353 ( 4774 PWs) bands (ev): -19.6654 -19.6654 -19.6645 -19.6645 -6.3192 -6.3192 -6.3120 -6.3120 -4.4279 -4.4279 -4.4049 -4.4049 -4.2135 -4.2135 -4.2108 -4.2108 -1.1789 -1.1789 -1.1651 -1.1651 -1.0017 -1.0017 -0.9978 -0.9978 -0.5716 -0.5716 -0.5582 -0.5582 -0.3631 -0.3631 -0.3598 -0.3598 -0.2583 -0.2583 -0.2538 -0.2538 0.3536 0.3536 0.4081 0.4081 6.2387 6.2387 6.4398 6.4398 8.0534 8.0534 8.1243 8.1243 8.1729 8.1729 8.2489 8.2489 8.6059 8.6059 8.6220 8.6220 10.3577 10.3577 10.3710 10.3710 10.4720 10.4720 k = 0.0000 0.0000 0.2500 ( 4786 PWs) bands (ev): -19.6649 -19.6649 -19.6649 -19.6649 -6.3156 -6.3156 -6.3156 -6.3156 -4.4165 -4.4165 -4.4165 -4.4165 -4.2122 -4.2122 -4.2122 -4.2122 -1.1718 -1.1718 -1.1718 -1.1718 -0.9997 -0.9997 -0.9997 -0.9997 -0.5648 -0.5648 -0.5648 -0.5648 -0.3615 -0.3615 -0.3615 -0.3615 -0.2561 -0.2561 -0.2561 -0.2561 0.3805 0.3805 0.3805 0.3805 6.3376 6.3376 6.3376 6.3376 8.0882 8.0882 8.0882 8.0882 8.2102 8.2102 8.2102 8.2102 8.6143 8.6143 8.6143 8.6143 10.4093 10.4093 10.4093 10.4093 10.5415 10.5415 k = 0.0000 0.0000 0.2500 ( 4786 PWs) bands (ev): -19.6649 -19.6649 -19.6649 -19.6649 -6.3156 -6.3156 -6.3156 -6.3156 -4.4165 -4.4165 -4.4165 -4.4165 -4.2122 -4.2122 -4.2122 -4.2122 -1.1718 -1.1718 -1.1718 -1.1718 -0.9997 -0.9997 -0.9997 -0.9997 -0.5648 -0.5648 -0.5648 -0.5648 -0.3615 -0.3615 -0.3615 -0.3615 -0.2561 -0.2561 -0.2561 -0.2561 0.3805 0.3805 0.3805 0.3805 6.3376 6.3376 6.3376 6.3376 8.0882 8.0882 8.0882 8.0882 8.2102 8.2102 8.2102 8.2102 8.6143 8.6143 8.6143 8.6143 10.4093 10.4093 10.4093 10.4093 10.5415 10.5415 k = 0.0128 0.0074 0.2500 ( 4788 PWs) bands (ev): -19.6649 -19.6649 -19.6649 -19.6649 -6.3157 -6.3157 -6.3157 -6.3157 -4.4165 -4.4165 -4.4165 -4.4165 -4.2125 -4.2125 -4.2125 -4.2125 -1.1718 -1.1718 -1.1718 -1.1718 -0.9996 -0.9996 -0.9996 -0.9996 -0.5647 -0.5647 -0.5647 -0.5647 -0.3613 -0.3613 -0.3613 -0.3613 -0.2561 -0.2561 -0.2561 -0.2561 0.3814 0.3814 0.3814 0.3814 6.3383 6.3383 6.3383 6.3383 8.0641 8.0641 8.0641 8.0641 8.1873 8.1873 8.1873 8.1873 8.6574 8.6574 8.6574 8.6574 10.3920 10.3920 10.3920 10.3920 10.5199 10.5199 k = 0.0256 0.0148 0.2500 ( 4782 PWs) bands (ev): -19.6648 -19.6648 -19.6648 -19.6648 -6.3160 -6.3160 -6.3160 -6.3160 -4.4165 -4.4165 -4.4165 -4.4165 -4.2135 -4.2135 -4.2135 -4.2135 -1.1719 -1.1719 -1.1719 -1.1719 -0.9992 -0.9992 -0.9992 -0.9992 -0.5646 -0.5646 -0.5646 -0.5646 -0.3606 -0.3606 -0.3606 -0.3606 -0.2562 -0.2562 -0.2562 -0.2562 0.3840 0.3840 0.3840 0.3840 6.3405 6.3405 6.3405 6.3405 7.9846 7.9846 7.9846 7.9846 8.1564 8.1564 8.1564 8.1564 8.7562 8.7562 8.7562 8.7562 10.3516 10.3516 10.3516 10.3516 10.5133 10.5133 k = 0.0385 0.0222 0.2500 ( 4786 PWs) bands (ev): -19.6647 -19.6647 -19.6647 -19.6647 -6.3164 -6.3164 -6.3164 -6.3164 -4.4166 -4.4166 -4.4166 -4.4166 -4.2153 -4.2153 -4.2153 -4.2153 -1.1719 -1.1719 -1.1719 -1.1719 -0.9985 -0.9985 -0.9985 -0.9985 -0.5642 -0.5642 -0.5642 -0.5642 -0.3596 -0.3596 -0.3596 -0.3596 -0.2563 -0.2563 -0.2563 -0.2563 0.3885 0.3885 0.3885 0.3885 6.3439 6.3439 6.3439 6.3439 7.8682 7.8682 7.8682 7.8682 8.1342 8.1342 8.1342 8.1342 8.8753 8.8753 8.8753 8.8753 10.3035 10.3035 10.3035 10.3035 10.5156 10.5156 k = 0.0513 0.0296 0.2500 ( 4794 PWs) bands (ev): -19.6645 -19.6645 -19.6645 -19.6645 -6.3171 -6.3171 -6.3171 -6.3171 -4.4166 -4.4166 -4.4166 -4.4166 -4.2177 -4.2177 -4.2177 -4.2177 -1.1720 -1.1720 -1.1720 -1.1720 -0.9975 -0.9975 -0.9975 -0.9975 -0.5638 -0.5638 -0.5638 -0.5638 -0.3581 -0.3581 -0.3581 -0.3581 -0.2564 -0.2564 -0.2564 -0.2564 0.3948 0.3948 0.3948 0.3948 6.3481 6.3481 6.3481 6.3481 7.7378 7.7378 7.7378 7.7378 8.1125 8.1125 8.1125 8.1125 8.9997 8.9997 8.9997 8.9997 10.2553 10.2553 10.2553 10.2553 10.5227 10.5227 k = 0.0641 0.0370 0.2500 ( 4794 PWs) bands (ev): -19.6643 -19.6643 -19.6643 -19.6643 -6.3179 -6.3179 -6.3179 -6.3179 -4.4168 -4.4168 -4.4168 -4.4168 -4.2207 -4.2207 -4.2207 -4.2207 -1.1722 -1.1722 -1.1722 -1.1722 -0.9962 -0.9962 -0.9962 -0.9962 -0.5632 -0.5632 -0.5632 -0.5632 -0.3562 -0.3562 -0.3562 -0.3562 -0.2566 -0.2566 -0.2566 -0.2566 0.4028 0.4028 0.4028 0.4028 6.3526 6.3526 6.3526 6.3526 7.6031 7.6031 7.6031 7.6031 8.0882 8.0882 8.0882 8.0882 9.1221 9.1221 9.1221 9.1221 10.2107 10.2107 10.2107 10.2107 10.5337 10.5337 k = 0.0769 0.0444 0.2500 ( 4802 PWs) bands (ev): -19.6640 -19.6640 -19.6640 -19.6640 -6.3189 -6.3189 -6.3189 -6.3189 -4.4169 -4.4169 -4.4169 -4.4169 -4.2243 -4.2243 -4.2243 -4.2243 -1.1723 -1.1723 -1.1723 -1.1723 -0.9948 -0.9948 -0.9948 -0.9948 -0.5624 -0.5624 -0.5624 -0.5624 -0.3540 -0.3540 -0.3540 -0.3540 -0.2568 -0.2568 -0.2568 -0.2568 0.4126 0.4126 0.4126 0.4126 6.3564 6.3564 6.3564 6.3564 7.4687 7.4687 7.4687 7.4687 8.0604 8.0604 8.0604 8.0604 9.2377 9.2377 9.2377 9.2377 10.1724 10.1724 10.1724 10.1724 10.5482 10.5482 k = 0.0897 0.0518 0.2500 ( 4790 PWs) bands (ev): -19.6637 -19.6637 -19.6637 -19.6637 -6.3201 -6.3201 -6.3201 -6.3201 -4.4171 -4.4171 -4.4171 -4.4171 -4.2285 -4.2285 -4.2285 -4.2285 -1.1724 -1.1724 -1.1724 -1.1724 -0.9931 -0.9931 -0.9931 -0.9931 -0.5615 -0.5615 -0.5615 -0.5615 -0.3515 -0.3515 -0.3515 -0.3515 -0.2570 -0.2570 -0.2570 -0.2570 0.4241 0.4241 0.4241 0.4241 6.3579 6.3579 6.3579 6.3579 7.3379 7.3379 7.3379 7.3379 8.0290 8.0290 8.0290 8.0290 9.3414 9.3414 9.3414 9.3414 10.1438 10.1438 10.1438 10.1438 10.5663 10.5663 k = 0.1026 0.0592 0.2500 ( 4790 PWs) bands (ev): -19.6634 -19.6634 -19.6634 -19.6634 -6.3214 -6.3214 -6.3214 -6.3214 -4.4174 -4.4174 -4.4174 -4.4174 -4.2332 -4.2332 -4.2332 -4.2332 -1.1725 -1.1725 -1.1725 -1.1725 -0.9912 -0.9912 -0.9912 -0.9912 -0.5605 -0.5605 -0.5605 -0.5605 -0.3487 -0.3487 -0.3487 -0.3487 -0.2573 -0.2573 -0.2573 -0.2573 0.4373 0.4373 0.4373 0.4373 6.3548 6.3548 6.3548 6.3548 7.2139 7.2139 7.2139 7.2139 7.9943 7.9943 7.9943 7.9943 9.4268 9.4268 9.4268 9.4268 10.1292 10.1292 10.1292 10.1292 10.5880 10.5880 k = 0.1154 0.0666 0.2500 ( 4782 PWs) bands (ev): -19.6629 -19.6629 -19.6629 -19.6629 -6.3229 -6.3229 -6.3229 -6.3229 -4.4177 -4.4177 -4.4177 -4.4177 -4.2383 -4.2383 -4.2383 -4.2383 -1.1726 -1.1726 -1.1726 -1.1726 -0.9892 -0.9892 -0.9892 -0.9892 -0.5593 -0.5593 -0.5593 -0.5593 -0.3456 -0.3456 -0.3456 -0.3456 -0.2575 -0.2575 -0.2575 -0.2575 0.4522 0.4522 0.4522 0.4522 6.3434 6.3434 6.3434 6.3434 7.1012 7.1012 7.1012 7.1012 7.9567 7.9567 7.9567 7.9567 9.4872 9.4872 9.4872 9.4872 10.1325 10.1325 10.1325 10.1325 10.6131 10.6131 k = 0.1282 0.0740 0.2500 ( 4778 PWs) bands (ev): -19.6625 -19.6625 -19.6625 -19.6625 -6.3246 -6.3246 -6.3246 -6.3246 -4.4181 -4.4181 -4.4181 -4.4181 -4.2438 -4.2438 -4.2438 -4.2438 -1.1727 -1.1727 -1.1727 -1.1727 -0.9871 -0.9871 -0.9871 -0.9871 -0.5580 -0.5580 -0.5580 -0.5580 -0.3422 -0.3422 -0.3422 -0.3422 -0.2577 -0.2577 -0.2577 -0.2577 0.4688 0.4688 0.4688 0.4688 6.3185 6.3185 6.3185 6.3185 7.0052 7.0052 7.0052 7.0052 7.9165 7.9165 7.9165 7.9165 9.5186 9.5186 9.5186 9.5186 10.1542 10.1542 10.1542 10.1542 10.6412 10.6412 k = 0.1410 0.0814 0.2500 ( 4786 PWs) bands (ev): -19.6620 -19.6620 -19.6620 -19.6620 -6.3264 -6.3264 -6.3264 -6.3264 -4.4187 -4.4187 -4.4187 -4.4187 -4.2496 -4.2496 -4.2496 -4.2496 -1.1727 -1.1727 -1.1727 -1.1727 -0.9848 -0.9848 -0.9848 -0.9848 -0.5566 -0.5566 -0.5566 -0.5566 -0.3387 -0.3387 -0.3387 -0.3387 -0.2579 -0.2579 -0.2579 -0.2579 0.4870 0.4870 0.4870 0.4870 6.2749 6.2749 6.2749 6.2749 6.9317 6.9317 6.9317 6.9317 7.8741 7.8741 7.8741 7.8741 9.5226 9.5226 9.5226 9.5226 10.1873 10.1873 10.1873 10.1873 10.6687 10.6687 k = 0.1538 0.0888 0.2500 ( 4786 PWs) bands (ev): -19.6615 -19.6615 -19.6615 -19.6615 -6.3283 -6.3283 -6.3283 -6.3283 -4.4194 -4.4194 -4.4194 -4.4194 -4.2556 -4.2556 -4.2556 -4.2556 -1.1727 -1.1727 -1.1727 -1.1727 -0.9825 -0.9825 -0.9825 -0.9825 -0.5550 -0.5550 -0.5550 -0.5550 -0.3350 -0.3350 -0.3350 -0.3350 -0.2580 -0.2580 -0.2580 -0.2580 0.5068 0.5068 0.5068 0.5068 6.2093 6.2093 6.2093 6.2093 6.8839 6.8839 6.8839 6.8839 7.8300 7.8300 7.8300 7.8300 9.5050 9.5050 9.5050 9.5050 10.2191 10.2191 10.2191 10.2191 10.6929 10.6929 k = 0.1667 0.0962 0.2500 ( 4788 PWs) bands (ev): -19.6610 -19.6610 -19.6610 -19.6610 -6.3303 -6.3303 -6.3303 -6.3303 -4.4203 -4.4203 -4.4203 -4.4203 -4.2618 -4.2618 -4.2618 -4.2618 -1.1727 -1.1727 -1.1727 -1.1727 -0.9801 -0.9801 -0.9801 -0.9801 -0.5533 -0.5533 -0.5533 -0.5533 -0.3312 -0.3312 -0.3312 -0.3312 -0.2581 -0.2581 -0.2581 -0.2581 0.5282 0.5282 0.5282 0.5282 6.1233 6.1233 6.1233 6.1233 6.8605 6.8605 6.8605 6.8605 7.7846 7.7846 7.7846 7.7846 9.4726 9.4726 9.4726 9.4726 10.2382 10.2382 10.2382 10.2382 10.7297 10.7297 k = 0.1795 0.1036 0.2500 ( 4788 PWs) bands (ev): -19.6604 -19.6604 -19.6604 -19.6604 -6.3325 -6.3325 -6.3325 -6.3325 -4.4213 -4.4213 -4.4213 -4.4213 -4.2680 -4.2680 -4.2680 -4.2680 -1.1726 -1.1726 -1.1726 -1.1726 -0.9777 -0.9777 -0.9777 -0.9777 -0.5515 -0.5515 -0.5515 -0.5515 -0.3273 -0.3273 -0.3273 -0.3273 -0.2581 -0.2581 -0.2581 -0.2581 0.5510 0.5510 0.5510 0.5510 6.0221 6.0221 6.0221 6.0221 6.8565 6.8565 6.8565 6.8565 7.7382 7.7382 7.7382 7.7382 9.4303 9.4303 9.4303 9.4303 10.2414 10.2414 10.2414 10.2414 10.7830 10.7830 k = 0.1923 0.1110 0.2500 ( 4792 PWs) bands (ev): -19.6598 -19.6598 -19.6598 -19.6598 -6.3348 -6.3348 -6.3348 -6.3348 -4.4226 -4.4226 -4.4226 -4.4226 -4.2743 -4.2743 -4.2743 -4.2743 -1.1725 -1.1725 -1.1725 -1.1725 -0.9753 -0.9753 -0.9753 -0.9753 -0.5495 -0.5495 -0.5495 -0.5495 -0.3233 -0.3233 -0.3233 -0.3233 -0.2581 -0.2581 -0.2581 -0.2581 0.5752 0.5752 0.5752 0.5752 5.9110 5.9110 5.9110 5.9110 6.8666 6.8666 6.8666 6.8666 7.6913 7.6913 7.6913 7.6913 9.3816 9.3816 9.3816 9.3816 10.2322 10.2322 10.2322 10.2322 10.8413 10.8413 k = 0.2051 0.1184 0.2500 ( 4792 PWs) bands (ev): -19.6592 -19.6592 -19.6592 -19.6592 -6.3372 -6.3372 -6.3372 -6.3372 -4.4242 -4.4242 -4.4242 -4.4242 -4.2804 -4.2804 -4.2804 -4.2804 -1.1723 -1.1723 -1.1723 -1.1723 -0.9729 -0.9729 -0.9729 -0.9729 -0.5475 -0.5475 -0.5475 -0.5475 -0.3193 -0.3193 -0.3193 -0.3193 -0.2580 -0.2580 -0.2580 -0.2580 0.6008 0.6008 0.6008 0.6008 5.7942 5.7942 5.7942 5.7942 6.8866 6.8866 6.8866 6.8866 7.6442 7.6442 7.6442 7.6442 9.3286 9.3286 9.3286 9.3286 10.2157 10.2157 10.2157 10.2157 10.8990 10.8990 k = 0.2179 0.1258 0.2500 ( 4800 PWs) bands (ev): -19.6586 -19.6586 -19.6586 -19.6586 -6.3396 -6.3396 -6.3396 -6.3396 -4.4260 -4.4260 -4.4260 -4.4260 -4.2863 -4.2863 -4.2863 -4.2863 -1.1721 -1.1721 -1.1721 -1.1721 -0.9705 -0.9705 -0.9705 -0.9705 -0.5453 -0.5453 -0.5453 -0.5453 -0.3153 -0.3153 -0.3153 -0.3153 -0.2577 -0.2577 -0.2577 -0.2577 0.6277 0.6277 0.6277 0.6277 5.6747 5.6747 5.6747 5.6747 6.9137 6.9137 6.9137 6.9137 7.5971 7.5971 7.5971 7.5971 9.2732 9.2732 9.2732 9.2732 10.1956 10.1956 10.1956 10.1956 10.9580 10.9580 k = 0.2308 0.1332 0.2500 ( 4814 PWs) bands (ev): -19.6580 -19.6580 -19.6580 -19.6580 -6.3421 -6.3421 -6.3421 -6.3421 -4.4282 -4.4282 -4.4282 -4.4282 -4.2919 -4.2919 -4.2919 -4.2919 -1.1719 -1.1719 -1.1719 -1.1719 -0.9682 -0.9682 -0.9682 -0.9682 -0.5431 -0.5431 -0.5431 -0.5431 -0.3114 -0.3114 -0.3114 -0.3114 -0.2574 -0.2574 -0.2574 -0.2574 0.6558 0.6558 0.6558 0.6558 5.5543 5.5543 5.5543 5.5543 6.9460 6.9460 6.9460 6.9460 7.5505 7.5505 7.5505 7.5505 9.2164 9.2164 9.2164 9.2164 10.1737 10.1737 10.1737 10.1737 11.0196 11.0196 k = 0.2436 0.1406 0.2500 ( 4822 PWs) bands (ev): -19.6573 -19.6573 -19.6573 -19.6573 -6.3447 -6.3447 -6.3447 -6.3447 -4.4306 -4.4306 -4.4306 -4.4306 -4.2973 -4.2973 -4.2973 -4.2973 -1.1716 -1.1716 -1.1716 -1.1716 -0.9659 -0.9659 -0.9659 -0.9659 -0.5408 -0.5408 -0.5408 -0.5408 -0.3075 -0.3075 -0.3075 -0.3075 -0.2570 -0.2570 -0.2570 -0.2570 0.6849 0.6849 0.6849 0.6849 5.4344 5.4344 5.4344 5.4344 6.9821 6.9821 6.9821 6.9821 7.5047 7.5047 7.5047 7.5047 9.1593 9.1593 9.1593 9.1593 10.1512 10.1512 10.1512 10.1512 11.0842 11.0842 k = 0.2564 0.1480 0.2500 ( 4822 PWs) bands (ev): -19.6567 -19.6567 -19.6567 -19.6567 -6.3472 -6.3472 -6.3472 -6.3472 -4.4334 -4.4334 -4.4334 -4.4334 -4.3022 -4.3022 -4.3022 -4.3022 -1.1713 -1.1713 -1.1713 -1.1713 -0.9637 -0.9637 -0.9637 -0.9637 -0.5385 -0.5385 -0.5385 -0.5385 -0.3038 -0.3038 -0.3038 -0.3038 -0.2565 -0.2565 -0.2565 -0.2565 0.7151 0.7151 0.7151 0.7151 5.3159 5.3159 5.3159 5.3159 7.0210 7.0210 7.0210 7.0210 7.4599 7.4599 7.4599 7.4599 9.1026 9.1026 9.1026 9.1026 10.1283 10.1283 10.1283 10.1283 11.1517 11.1517 k = 0.2692 0.1554 0.2500 ( 4812 PWs) bands (ev): -19.6561 -19.6561 -19.6561 -19.6561 -6.3498 -6.3498 -6.3498 -6.3498 -4.4365 -4.4365 -4.4365 -4.4365 -4.3067 -4.3067 -4.3067 -4.3067 -1.1709 -1.1709 -1.1709 -1.1709 -0.9616 -0.9616 -0.9616 -0.9616 -0.5361 -0.5361 -0.5361 -0.5361 -0.3002 -0.3002 -0.3002 -0.3002 -0.2559 -0.2559 -0.2559 -0.2559 0.7460 0.7460 0.7460 0.7460 5.1996 5.1996 5.1996 5.1996 7.0619 7.0619 7.0619 7.0619 7.4165 7.4165 7.4165 7.4165 9.0469 9.0469 9.0469 9.0469 10.1050 10.1050 10.1050 10.1050 11.2222 11.2222 k = 0.2821 0.1628 0.2500 ( 4800 PWs) bands (ev): -19.6554 -19.6554 -19.6554 -19.6554 -6.3524 -6.3524 -6.3524 -6.3524 -4.4400 -4.4400 -4.4400 -4.4400 -4.3107 -4.3107 -4.3107 -4.3107 -1.1705 -1.1705 -1.1705 -1.1705 -0.9596 -0.9596 -0.9596 -0.9596 -0.5338 -0.5338 -0.5338 -0.5338 -0.2967 -0.2967 -0.2967 -0.2967 -0.2551 -0.2551 -0.2551 -0.2551 0.7777 0.7777 0.7777 0.7777 5.0859 5.0859 5.0859 5.0859 7.1041 7.1041 7.1041 7.1041 7.3749 7.3749 7.3749 7.3749 8.9929 8.9929 8.9929 8.9929 10.0812 10.0812 10.0812 10.0812 11.2954 11.2954 k = 0.2949 0.1702 0.2500 ( 4798 PWs) bands (ev): -19.6548 -19.6548 -19.6548 -19.6548 -6.3550 -6.3550 -6.3550 -6.3550 -4.4436 -4.4436 -4.4436 -4.4436 -4.3143 -4.3143 -4.3143 -4.3143 -1.1701 -1.1701 -1.1701 -1.1701 -0.9577 -0.9577 -0.9577 -0.9577 -0.5314 -0.5314 -0.5314 -0.5314 -0.2934 -0.2934 -0.2934 -0.2934 -0.2543 -0.2543 -0.2543 -0.2543 0.8099 0.8099 0.8099 0.8099 4.9754 4.9754 4.9754 4.9754 7.1463 7.1463 7.1463 7.1463 7.3359 7.3359 7.3359 7.3359 8.9410 8.9410 8.9410 8.9410 10.0566 10.0566 10.0566 10.0566 11.3712 11.3712 k = 0.3077 0.1776 0.2500 ( 4802 PWs) bands (ev): -19.6542 -19.6542 -19.6542 -19.6542 -6.3575 -6.3575 -6.3575 -6.3575 -4.4475 -4.4475 -4.4475 -4.4475 -4.3174 -4.3174 -4.3174 -4.3174 -1.1697 -1.1697 -1.1697 -1.1697 -0.9559 -0.9559 -0.9559 -0.9559 -0.5291 -0.5291 -0.5291 -0.5291 -0.2903 -0.2903 -0.2903 -0.2903 -0.2534 -0.2534 -0.2534 -0.2534 0.8424 0.8424 0.8424 0.8424 4.8685 4.8685 4.8685 4.8685 7.1859 7.1859 7.1859 7.1859 7.3020 7.3020 7.3020 7.3020 8.8915 8.8915 8.8915 8.8915 10.0310 10.0310 10.0310 10.0310 11.4494 11.4494 k = 0.3205 0.1850 0.2500 ( 4794 PWs) bands (ev): -19.6536 -19.6536 -19.6536 -19.6536 -6.3600 -6.3600 -6.3600 -6.3600 -4.4516 -4.4516 -4.4516 -4.4516 -4.3201 -4.3201 -4.3201 -4.3201 -1.1693 -1.1693 -1.1693 -1.1693 -0.9541 -0.9541 -0.9541 -0.9541 -0.5268 -0.5268 -0.5268 -0.5268 -0.2874 -0.2874 -0.2874 -0.2874 -0.2523 -0.2523 -0.2523 -0.2523 0.8751 0.8751 0.8751 0.8751 4.7656 4.7656 4.7656 4.7656 7.2109 7.2109 7.2109 7.2109 7.2847 7.2847 7.2847 7.2847 8.8449 8.8449 8.8449 8.8449 10.0043 10.0043 10.0043 10.0043 11.5298 11.5298 k = 0.3333 0.1925 0.2500 ( 4802 PWs) bands (ev): -19.6530 -19.6530 -19.6530 -19.6530 -6.3624 -6.3624 -6.3624 -6.3624 -4.4557 -4.4557 -4.4557 -4.4557 -4.3224 -4.3224 -4.3224 -4.3224 -1.1689 -1.1689 -1.1689 -1.1689 -0.9525 -0.9525 -0.9525 -0.9525 -0.5246 -0.5246 -0.5246 -0.5246 -0.2847 -0.2847 -0.2847 -0.2847 -0.2512 -0.2512 -0.2512 -0.2512 0.9078 0.9078 0.9078 0.9078 4.6671 4.6671 4.6671 4.6671 7.2004 7.2004 7.2004 7.2004 7.3048 7.3048 7.3048 7.3048 8.8015 8.8015 8.8015 8.8015 9.9762 9.9762 9.9762 9.9762 11.6120 11.6120 k = 0.3462 0.1999 0.2500 ( 4798 PWs) bands (ev): -19.6525 -19.6525 -19.6525 -19.6525 -6.3647 -6.3647 -6.3647 -6.3647 -4.4598 -4.4598 -4.4598 -4.4598 -4.3243 -4.3243 -4.3243 -4.3243 -1.1684 -1.1684 -1.1684 -1.1684 -0.9511 -0.9511 -0.9511 -0.9511 -0.5224 -0.5224 -0.5224 -0.5224 -0.2823 -0.2823 -0.2823 -0.2823 -0.2500 -0.2500 -0.2500 -0.2500 0.9401 0.9401 0.9401 0.9401 4.5734 4.5734 4.5734 4.5734 7.1735 7.1735 7.1735 7.1735 7.3426 7.3426 7.3426 7.3426 8.7614 8.7614 8.7614 8.7614 9.9470 9.9470 9.9470 9.9470 11.6958 11.6958 k = 0.3590 0.2073 0.2500 ( 4794 PWs) bands (ev): -19.6520 -19.6520 -19.6520 -19.6520 -6.3669 -6.3669 -6.3669 -6.3669 -4.4639 -4.4639 -4.4639 -4.4639 -4.3258 -4.3258 -4.3258 -4.3258 -1.1680 -1.1680 -1.1680 -1.1680 -0.9497 -0.9497 -0.9497 -0.9497 -0.5204 -0.5204 -0.5204 -0.5204 -0.2801 -0.2801 -0.2801 -0.2801 -0.2487 -0.2487 -0.2487 -0.2487 0.9717 0.9717 0.9717 0.9717 4.4848 4.4848 4.4848 4.4848 7.1448 7.1448 7.1448 7.1448 7.3834 7.3834 7.3834 7.3834 8.7249 8.7249 8.7249 8.7249 9.9168 9.9168 9.9168 9.9168 11.7809 11.7809 k = 0.3718 0.2147 0.2500 ( 4786 PWs) bands (ev): -19.6515 -19.6515 -19.6515 -19.6515 -6.3689 -6.3689 -6.3689 -6.3689 -4.4679 -4.4679 -4.4679 -4.4679 -4.3271 -4.3271 -4.3271 -4.3271 -1.1676 -1.1676 -1.1676 -1.1676 -0.9485 -0.9485 -0.9485 -0.9485 -0.5185 -0.5185 -0.5185 -0.5185 -0.2781 -0.2781 -0.2781 -0.2781 -0.2475 -0.2475 -0.2475 -0.2475 1.0025 1.0025 1.0025 1.0025 4.4018 4.4018 4.4018 4.4018 7.1173 7.1173 7.1173 7.1173 7.4237 7.4237 7.4237 7.4237 8.6922 8.6922 8.6922 8.6922 9.8859 9.8859 9.8859 9.8859 11.8669 11.8669 k = 0.3846 0.2221 0.2500 ( 4790 PWs) bands (ev): -19.6510 -19.6510 -19.6510 -19.6510 -6.3708 -6.3708 -6.3708 -6.3708 -4.4717 -4.4717 -4.4717 -4.4717 -4.3282 -4.3282 -4.3282 -4.3282 -1.1673 -1.1673 -1.1673 -1.1673 -0.9473 -0.9473 -0.9473 -0.9473 -0.5167 -0.5167 -0.5167 -0.5167 -0.2763 -0.2763 -0.2763 -0.2763 -0.2462 -0.2462 -0.2462 -0.2462 1.0319 1.0319 1.0319 1.0319 4.3249 4.3249 4.3249 4.3249 7.0916 7.0916 7.0916 7.0916 7.4624 7.4624 7.4624 7.4624 8.6633 8.6633 8.6633 8.6633 9.8547 9.8547 9.8547 9.8547 11.9535 11.9535 k = 0.3974 0.2295 0.2500 ( 4804 PWs) bands (ev): -19.6506 -19.6506 -19.6506 -19.6506 -6.3726 -6.3726 -6.3726 -6.3726 -4.4752 -4.4752 -4.4752 -4.4752 -4.3290 -4.3290 -4.3290 -4.3290 -1.1669 -1.1669 -1.1669 -1.1669 -0.9463 -0.9463 -0.9463 -0.9463 -0.5151 -0.5151 -0.5151 -0.5151 -0.2748 -0.2748 -0.2748 -0.2748 -0.2450 -0.2450 -0.2450 -0.2450 1.0598 1.0598 1.0598 1.0598 4.2543 4.2543 4.2543 4.2543 7.0683 7.0683 7.0683 7.0683 7.4988 7.4988 7.4988 7.4988 8.6383 8.6383 8.6383 8.6383 9.8239 9.8239 9.8239 9.8239 12.0403 12.0403 k = 0.4103 0.2369 0.2500 ( 4806 PWs) bands (ev): -19.6503 -19.6503 -19.6503 -19.6503 -6.3742 -6.3742 -6.3742 -6.3742 -4.4785 -4.4785 -4.4785 -4.4785 -4.3297 -4.3297 -4.3297 -4.3297 -1.1666 -1.1666 -1.1666 -1.1666 -0.9454 -0.9454 -0.9454 -0.9454 -0.5136 -0.5136 -0.5136 -0.5136 -0.2735 -0.2735 -0.2735 -0.2735 -0.2439 -0.2439 -0.2439 -0.2439 1.0856 1.0856 1.0856 1.0856 4.1907 4.1907 4.1907 4.1907 7.0474 7.0474 7.0474 7.0474 7.5321 7.5321 7.5321 7.5321 8.6172 8.6172 8.6172 8.6172 9.7940 9.7940 9.7940 9.7940 12.1267 12.1267 k = 0.4231 0.2443 0.2500 ( 4810 PWs) bands (ev): -19.6500 -19.6500 -19.6500 -19.6500 -6.3756 -6.3756 -6.3756 -6.3756 -4.4814 -4.4814 -4.4814 -4.4814 -4.3302 -4.3302 -4.3302 -4.3302 -1.1663 -1.1663 -1.1663 -1.1663 -0.9447 -0.9447 -0.9447 -0.9447 -0.5123 -0.5123 -0.5123 -0.5123 -0.2723 -0.2723 -0.2723 -0.2723 -0.2428 -0.2428 -0.2428 -0.2428 1.1090 1.1090 1.1090 1.1090 4.1344 4.1344 4.1344 4.1344 7.0291 7.0291 7.0291 7.0291 7.5619 7.5619 7.5619 7.5619 8.5998 8.5998 8.5998 8.5998 9.7658 9.7658 9.7658 9.7658 12.2124 12.2124 k = 0.4359 0.2517 0.2500 ( 4808 PWs) bands (ev): -19.6497 -19.6497 -19.6497 -19.6497 -6.3768 -6.3768 -6.3768 -6.3768 -4.4839 -4.4839 -4.4839 -4.4839 -4.3306 -4.3306 -4.3306 -4.3306 -1.1661 -1.1661 -1.1661 -1.1661 -0.9440 -0.9440 -0.9440 -0.9440 -0.5112 -0.5112 -0.5112 -0.5112 -0.2714 -0.2714 -0.2714 -0.2714 -0.2419 -0.2419 -0.2419 -0.2419 1.1297 1.1297 1.1297 1.1297 4.0858 4.0858 4.0858 4.0858 7.0136 7.0136 7.0136 7.0136 7.5879 7.5879 7.5879 7.5879 8.5860 8.5860 8.5860 8.5860 9.7401 9.7401 9.7401 9.7401 12.2965 12.2965 k = 0.4487 0.2591 0.2500 ( 4816 PWs) bands (ev): -19.6495 -19.6495 -19.6495 -19.6495 -6.3778 -6.3778 -6.3778 -6.3778 -4.4860 -4.4860 -4.4860 -4.4860 -4.3309 -4.3309 -4.3309 -4.3309 -1.1659 -1.1659 -1.1659 -1.1659 -0.9435 -0.9435 -0.9435 -0.9435 -0.5103 -0.5103 -0.5103 -0.5103 -0.2706 -0.2706 -0.2706 -0.2706 -0.2411 -0.2411 -0.2411 -0.2411 1.1472 1.1472 1.1472 1.1472 4.0454 4.0454 4.0454 4.0454 7.0007 7.0007 7.0007 7.0007 7.6095 7.6095 7.6095 7.6095 8.5754 8.5754 8.5754 8.5754 9.7177 9.7177 9.7177 9.7177 12.3785 12.3785 k = 0.4615 0.2665 0.2500 ( 4812 PWs) bands (ev): -19.6493 -19.6493 -19.6493 -19.6493 -6.3786 -6.3786 -6.3786 -6.3786 -4.4876 -4.4876 -4.4876 -4.4876 -4.3311 -4.3311 -4.3311 -4.3311 -1.1657 -1.1657 -1.1657 -1.1657 -0.9431 -0.9431 -0.9431 -0.9431 -0.5096 -0.5096 -0.5096 -0.5096 -0.2700 -0.2700 -0.2700 -0.2700 -0.2405 -0.2405 -0.2405 -0.2405 1.1612 1.1612 1.1612 1.1612 4.0136 4.0136 4.0136 4.0136 6.9907 6.9907 6.9907 6.9907 7.6265 7.6265 7.6265 7.6265 8.5676 8.5676 8.5676 8.5676 9.6993 9.6993 9.6993 9.6993 12.4570 12.4570 k = 0.4744 0.2739 0.2500 ( 4802 PWs) bands (ev): -19.6491 -19.6491 -19.6491 -19.6491 -6.3791 -6.3791 -6.3791 -6.3791 -4.4888 -4.4888 -4.4888 -4.4888 -4.3313 -4.3313 -4.3313 -4.3313 -1.1656 -1.1656 -1.1656 -1.1656 -0.9428 -0.9428 -0.9428 -0.9428 -0.5090 -0.5090 -0.5090 -0.5090 -0.2696 -0.2696 -0.2696 -0.2696 -0.2400 -0.2400 -0.2400 -0.2400 1.1715 1.1715 1.1715 1.1715 3.9906 3.9906 3.9906 3.9906 6.9835 6.9835 6.9835 6.9835 7.6388 7.6388 7.6388 7.6388 8.5624 8.5624 8.5624 8.5624 9.6856 9.6856 9.6856 9.6856 12.5297 12.5297 k = 0.4872 0.2813 0.2500 ( 4804 PWs) bands (ev): -19.6491 -19.6491 -19.6491 -19.6491 -6.3795 -6.3795 -6.3795 -6.3795 -4.4896 -4.4896 -4.4896 -4.4896 -4.3314 -4.3314 -4.3314 -4.3314 -1.1655 -1.1655 -1.1655 -1.1655 -0.9426 -0.9426 -0.9426 -0.9426 -0.5087 -0.5087 -0.5087 -0.5087 -0.2693 -0.2693 -0.2693 -0.2693 -0.2397 -0.2397 -0.2397 -0.2397 1.1777 1.1777 1.1777 1.1777 3.9767 3.9767 3.9767 3.9767 6.9792 6.9792 6.9792 6.9792 7.6463 7.6463 7.6463 7.6463 8.5595 8.5595 8.5595 8.5595 9.6772 9.6772 9.6772 9.6772 12.5901 12.5901 k = 0.5000 0.2887 0.2500 ( 4804 PWs) bands (ev): -19.6490 -19.6490 -19.6490 -19.6490 -6.3796 -6.3796 -6.3796 -6.3796 -4.4898 -4.4898 -4.4898 -4.4898 -4.3314 -4.3314 -4.3314 -4.3314 -1.1655 -1.1655 -1.1655 -1.1655 -0.9425 -0.9425 -0.9425 -0.9425 -0.5086 -0.5086 -0.5086 -0.5086 -0.2692 -0.2692 -0.2692 -0.2692 -0.2396 -0.2396 -0.2396 -0.2396 1.1798 1.1798 1.1798 1.1798 3.9721 3.9721 3.9721 3.9721 6.9777 6.9777 6.9777 6.9777 7.6488 7.6488 7.6488 7.6488 8.5585 8.5585 8.5585 8.5585 9.6744 9.6744 9.6744 9.6744 12.6179 12.6179 k = 0.5000 0.2887 0.2500 ( 4804 PWs) bands (ev): -19.6490 -19.6490 -19.6490 -19.6490 -6.3796 -6.3796 -6.3796 -6.3796 -4.4898 -4.4898 -4.4898 -4.4898 -4.3314 -4.3314 -4.3314 -4.3314 -1.1655 -1.1655 -1.1655 -1.1655 -0.9425 -0.9425 -0.9425 -0.9425 -0.5086 -0.5086 -0.5086 -0.5086 -0.2692 -0.2692 -0.2692 -0.2692 -0.2396 -0.2396 -0.2396 -0.2396 1.1798 1.1798 1.1798 1.1798 3.9721 3.9721 3.9721 3.9721 6.9777 6.9777 6.9777 6.9777 7.6488 7.6488 7.6488 7.6488 8.5585 8.5585 8.5585 8.5585 9.6744 9.6744 9.6744 9.6744 12.6179 12.6179 k = 0.4928 0.3012 0.2500 ( 4804 PWs) bands (ev): -19.6490 -19.6490 -19.6490 -19.6490 -6.3797 -6.3797 -6.3795 -6.3795 -4.4897 -4.4897 -4.4897 -4.4897 -4.3317 -4.3317 -4.3316 -4.3316 -1.1737 -1.1737 -1.1567 -1.1567 -0.9432 -0.9432 -0.9419 -0.9419 -0.5219 -0.5219 -0.4955 -0.4955 -0.2694 -0.2694 -0.2691 -0.2691 -0.2409 -0.2409 -0.2384 -0.2384 1.1746 1.1746 1.1861 1.1861 3.9714 3.9714 3.9733 3.9733 6.9680 6.9680 6.9731 6.9731 7.6468 7.6468 7.6513 7.6513 8.5594 8.5594 8.5611 8.5611 9.6827 9.6827 9.6853 9.6853 12.5836 12.5893 k = 0.4855 0.3138 0.2500 ( 4804 PWs) bands (ev): -19.6490 -19.6490 -19.6490 -19.6490 -6.3798 -6.3798 -6.3795 -6.3795 -4.4893 -4.4893 -4.4892 -4.4892 -4.3325 -4.3325 -4.3324 -4.3324 -1.1814 -1.1814 -1.1475 -1.1475 -0.9438 -0.9438 -0.9413 -0.9413 -0.5354 -0.5354 -0.4827 -0.4827 -0.2697 -0.2697 -0.2690 -0.2690 -0.2423 -0.2423 -0.2372 -0.2372 1.1705 1.1705 1.1934 1.1934 3.9712 3.9712 3.9749 3.9749 6.9444 6.9444 6.9542 6.9542 7.6455 7.6455 7.6544 7.6544 8.5636 8.5636 8.5671 8.5671 9.7100 9.7100 9.7151 9.7151 12.5161 12.5184 k = 0.4783 0.3263 0.2500 ( 4806 PWs) bands (ev): -19.6490 -19.6490 -19.6490 -19.6490 -6.3800 -6.3800 -6.3796 -6.3796 -4.4887 -4.4887 -4.4886 -4.4886 -4.3339 -4.3339 -4.3337 -4.3337 -1.1886 -1.1886 -1.1377 -1.1377 -0.9445 -0.9445 -0.9407 -0.9407 -0.5490 -0.5490 -0.4701 -0.4701 -0.2700 -0.2700 -0.2690 -0.2690 -0.2436 -0.2436 -0.2361 -0.2361 1.1675 1.1675 1.2017 1.2017 3.9715 3.9715 3.9771 3.9771 6.9084 6.9084 6.9224 6.9224 7.6449 7.6449 7.6578 7.6578 8.5703 8.5703 8.5762 8.5762 9.7555 9.7555 9.7629 9.7629 12.4434 12.4490 k = 0.4710 0.3389 0.2500 ( 4806 PWs) bands (ev): -19.6489 -19.6489 -19.6489 -19.6489 -6.3802 -6.3802 -6.3797 -6.3797 -4.4878 -4.4878 -4.4877 -4.4877 -4.3358 -4.3358 -4.3356 -4.3356 -1.1952 -1.1952 -1.1275 -1.1275 -0.9451 -0.9451 -0.9401 -0.9401 -0.5627 -0.5627 -0.4577 -0.4577 -0.2704 -0.2704 -0.2691 -0.2691 -0.2450 -0.2450 -0.2350 -0.2350 1.1657 1.1657 1.2109 1.2109 3.9723 3.9723 3.9796 3.9796 6.8618 6.8618 6.8794 6.8794 7.6449 7.6449 7.6616 7.6616 8.5790 8.5790 8.5878 8.5878 9.8181 9.8181 9.8275 9.8275 12.3718 12.3734 k = 0.4638 0.3514 0.2500 ( 4798 PWs) bands (ev): -19.6488 -19.6488 -19.6488 -19.6488 -6.3804 -6.3804 -6.3798 -6.3798 -4.4867 -4.4867 -4.4865 -4.4865 -4.3381 -4.3381 -4.3379 -4.3379 -1.2013 -1.2013 -1.1168 -1.1168 -0.9458 -0.9458 -0.9396 -0.9396 -0.5765 -0.5765 -0.4457 -0.4457 -0.2708 -0.2708 -0.2692 -0.2692 -0.2464 -0.2464 -0.2341 -0.2341 1.1650 1.1650 1.2210 1.2210 3.9733 3.9733 3.9825 3.9825 6.8069 6.8069 6.8274 6.8274 7.6455 7.6455 7.6654 7.6654 8.5890 8.5890 8.6013 8.6013 9.8960 9.8960 9.9074 9.9074 12.2985 12.3001 k = 0.4565 0.3640 0.2500 ( 4802 PWs) bands (ev): -19.6488 -19.6488 -19.6488 -19.6488 -6.3807 -6.3807 -6.3800 -6.3800 -4.4853 -4.4853 -4.4851 -4.4851 -4.3410 -4.3410 -4.3407 -4.3407 -1.2069 -1.2069 -1.1057 -1.1057 -0.9465 -0.9465 -0.9390 -0.9390 -0.5904 -0.5904 -0.4340 -0.4340 -0.2712 -0.2712 -0.2693 -0.2693 -0.2477 -0.2477 -0.2333 -0.2333 1.1653 1.1653 1.2319 1.2319 3.9746 3.9746 3.9854 3.9854 6.7457 6.7457 6.7684 6.7684 7.6465 7.6465 7.6695 7.6695 8.5998 8.5998 8.6161 8.6161 9.9875 9.9875 10.0007 10.0007 12.2278 12.2300 k = 0.4493 0.3765 0.2500 ( 4802 PWs) bands (ev): -19.6487 -19.6487 -19.6487 -19.6487 -6.3810 -6.3810 -6.3802 -6.3802 -4.4837 -4.4837 -4.4835 -4.4835 -4.3442 -4.3442 -4.3439 -4.3439 -1.2120 -1.2120 -1.0942 -1.0942 -0.9471 -0.9471 -0.9385 -0.9385 -0.6043 -0.6043 -0.4227 -0.4227 -0.2718 -0.2718 -0.2695 -0.2695 -0.2489 -0.2489 -0.2326 -0.2326 1.1668 1.1668 1.2435 1.2435 3.9759 3.9759 3.9885 3.9885 6.6803 6.6803 6.7048 6.7048 7.6478 7.6478 7.6736 7.6736 8.6109 8.6109 8.6315 8.6315 10.0906 10.0906 10.1057 10.1057 12.1622 12.1638 k = 0.4420 0.3891 0.2500 ( 4802 PWs) bands (ev): -19.6486 -19.6486 -19.6486 -19.6486 -6.3813 -6.3813 -6.3804 -6.3804 -4.4818 -4.4818 -4.4816 -4.4816 -4.3478 -4.3478 -4.3475 -4.3475 -1.2166 -1.2166 -1.0824 -1.0824 -0.9478 -0.9478 -0.9380 -0.9380 -0.6182 -0.6182 -0.4118 -0.4118 -0.2723 -0.2723 -0.2698 -0.2698 -0.2501 -0.2501 -0.2320 -0.2320 1.1693 1.1693 1.2557 1.2557 3.9771 3.9771 3.9913 3.9913 6.6125 6.6125 6.6383 6.6383 7.6494 7.6494 7.6778 7.6778 8.6222 8.6222 8.6474 8.6474 10.2033 10.2033 10.2204 10.2204 12.1018 12.1027 k = 0.4348 0.4016 0.2500 ( 4806 PWs) bands (ev): -19.6484 -19.6484 -19.6484 -19.6484 -6.3817 -6.3817 -6.3807 -6.3807 -4.4797 -4.4797 -4.4796 -4.4796 -4.3518 -4.3518 -4.3515 -4.3515 -1.2208 -1.2208 -1.0703 -1.0703 -0.9485 -0.9485 -0.9375 -0.9375 -0.6320 -0.6320 -0.4013 -0.4013 -0.2729 -0.2729 -0.2701 -0.2701 -0.2512 -0.2512 -0.2316 -0.2316 1.1727 1.1727 1.2684 1.2684 3.9781 3.9781 3.9939 3.9939 6.5440 6.5440 6.5708 6.5708 7.6513 7.6513 7.6821 7.6821 8.6333 8.6333 8.6633 8.6633 10.3237 10.3237 10.3430 10.3430 12.0470 12.0476 k = 0.4275 0.4142 0.2500 ( 4810 PWs) bands (ev): -19.6483 -19.6483 -19.6483 -19.6483 -6.3821 -6.3821 -6.3809 -6.3809 -4.4775 -4.4775 -4.4774 -4.4774 -4.3560 -4.3560 -4.3557 -4.3557 -1.2245 -1.2245 -1.0580 -1.0580 -0.9491 -0.9491 -0.9370 -0.9370 -0.6458 -0.6458 -0.3912 -0.3912 -0.2736 -0.2736 -0.2705 -0.2705 -0.2523 -0.2523 -0.2312 -0.2312 1.1769 1.1769 1.2814 1.2814 3.9787 3.9787 3.9960 3.9960 6.4761 6.4761 6.5036 6.5036 7.6533 7.6533 7.6864 7.6864 8.6443 8.6443 8.6789 8.6789 10.4499 10.4499 10.4718 10.4718 11.9971 11.9981 k = 0.4203 0.4267 0.2500 ( 4814 PWs) bands (ev): -19.6482 -19.6482 -19.6482 -19.6482 -6.3825 -6.3825 -6.3813 -6.3813 -4.4751 -4.4751 -4.4750 -4.4750 -4.3605 -4.3605 -4.3602 -4.3602 -1.2278 -1.2278 -1.0455 -1.0455 -0.9497 -0.9497 -0.9364 -0.9364 -0.6595 -0.6595 -0.3816 -0.3816 -0.2743 -0.2743 -0.2709 -0.2709 -0.2532 -0.2532 -0.2310 -0.2310 1.1820 1.1820 1.2947 1.2947 3.9788 3.9788 3.9974 3.9974 6.4101 6.4101 6.4381 6.4381 7.6554 7.6554 7.6907 7.6907 8.6548 8.6548 8.6941 8.6941 10.5799 10.5799 10.6048 10.6048 11.9544 11.9545 k = 0.4130 0.4393 0.2500 ( 4816 PWs) bands (ev): -19.6481 -19.6481 -19.6481 -19.6481 -6.3829 -6.3829 -6.3816 -6.3816 -4.4725 -4.4725 -4.4725 -4.4725 -4.3651 -4.3651 -4.3649 -4.3649 -1.2307 -1.2307 -1.0330 -1.0330 -0.9503 -0.9503 -0.9359 -0.9359 -0.6730 -0.6730 -0.3725 -0.3725 -0.2750 -0.2750 -0.2713 -0.2713 -0.2541 -0.2541 -0.2309 -0.2309 1.1877 1.1877 1.3081 1.3081 3.9781 3.9781 3.9981 3.9981 6.3469 6.3469 6.3753 6.3753 7.6576 7.6576 7.6950 7.6950 8.6648 8.6648 8.7086 8.7086 10.7119 10.7119 10.7402 10.7402 11.9186 11.9188 k = 0.4058 0.4518 0.2500 ( 4820 PWs) bands (ev): -19.6479 -19.6479 -19.6479 -19.6479 -6.3833 -6.3833 -6.3819 -6.3819 -4.4698 -4.4698 -4.4697 -4.4697 -4.3699 -4.3699 -4.3698 -4.3698 -1.2332 -1.2332 -1.0206 -1.0206 -0.9509 -0.9509 -0.9352 -0.9352 -0.6863 -0.6863 -0.3640 -0.3640 -0.2758 -0.2758 -0.2716 -0.2716 -0.2549 -0.2549 -0.2308 -0.2308 1.1940 1.1940 1.3213 1.3213 3.9767 3.9767 3.9979 3.9979 6.2875 6.2875 6.3161 6.3161 7.6599 7.6599 7.6992 7.6992 8.6741 8.6741 8.7222 8.7222 10.8437 10.8437 10.8759 10.8759 11.8900 11.8900 k = 0.3986 0.4644 0.2500 ( 4806 PWs) bands (ev): -19.6478 -19.6478 -19.6478 -19.6478 -6.3838 -6.3838 -6.3823 -6.3823 -4.4671 -4.4671 -4.4669 -4.4669 -4.3746 -4.3746 -4.3746 -4.3746 -1.2354 -1.2354 -1.0084 -1.0084 -0.9515 -0.9515 -0.9345 -0.9345 -0.6992 -0.6992 -0.3561 -0.3561 -0.2766 -0.2766 -0.2720 -0.2720 -0.2556 -0.2556 -0.2308 -0.2308 1.2006 1.2006 1.3344 1.3344 3.9744 3.9744 3.9967 3.9967 6.2327 6.2327 6.2613 6.2613 7.6622 7.6622 7.7032 7.7032 8.6826 8.6826 8.7347 8.7347 10.9731 10.9731 11.0097 11.0097 11.8691 11.8693 k = 0.3913 0.4769 0.2500 ( 4802 PWs) bands (ev): -19.6477 -19.6477 -19.6477 -19.6477 -6.3842 -6.3842 -6.3826 -6.3826 -4.4644 -4.4644 -4.4640 -4.4640 -4.3795 -4.3795 -4.3794 -4.3794 -1.2372 -1.2372 -0.9966 -0.9966 -0.9520 -0.9520 -0.9335 -0.9335 -0.7118 -0.7118 -0.3488 -0.3488 -0.2774 -0.2774 -0.2724 -0.2724 -0.2562 -0.2562 -0.2309 -0.2309 1.2074 1.2074 1.3470 1.3470 3.9713 3.9713 3.9945 3.9945 6.1829 6.1829 6.2115 6.2115 7.6644 7.6644 7.7071 7.7071 8.6901 8.6901 8.7460 8.7460 11.0978 11.0978 11.1393 11.1393 11.8560 11.8560 k = 0.3841 0.4895 0.2500 ( 4802 PWs) bands (ev): -19.6475 -19.6475 -19.6475 -19.6475 -6.3846 -6.3846 -6.3830 -6.3830 -4.4617 -4.4617 -4.4611 -4.4611 -4.3843 -4.3843 -4.3839 -4.3839 -1.2387 -1.2387 -0.9856 -0.9856 -0.9524 -0.9524 -0.9322 -0.9322 -0.7239 -0.7239 -0.3422 -0.3422 -0.2782 -0.2782 -0.2727 -0.2727 -0.2568 -0.2568 -0.2310 -0.2310 1.2143 1.2143 1.3590 1.3590 3.9673 3.9673 3.9915 3.9915 6.1386 6.1386 6.1671 6.1671 7.6665 7.6665 7.7108 7.7108 8.6966 8.6966 8.7559 8.7559 11.2155 11.2155 11.2620 11.2620 11.8508 11.8508 k = 0.3768 0.5020 0.2500 ( 4794 PWs) bands (ev): -19.6474 -19.6474 -19.6474 -19.6474 -6.3849 -6.3849 -6.3833 -6.3833 -4.4590 -4.4590 -4.4583 -4.4583 -4.3888 -4.3888 -4.3883 -4.3883 -1.2400 -1.2400 -0.9757 -0.9757 -0.9528 -0.9528 -0.9304 -0.9304 -0.7354 -0.7354 -0.3363 -0.3363 -0.2789 -0.2789 -0.2729 -0.2729 -0.2572 -0.2572 -0.2311 -0.2311 1.2209 1.2209 1.3701 1.3701 3.9627 3.9627 3.9876 3.9876 6.1002 6.1002 6.1286 6.1286 7.6686 7.6686 7.7142 7.7142 8.7019 8.7019 8.7642 8.7642 11.3238 11.3238 11.3756 11.3756 11.8530 11.8531 k = 0.3696 0.5146 0.2500 ( 4786 PWs) bands (ev): -19.6473 -19.6473 -19.6473 -19.6473 -6.3853 -6.3853 -6.3836 -6.3836 -4.4566 -4.4566 -4.4555 -4.4555 -4.3931 -4.3931 -4.3923 -4.3923 -1.2410 -1.2410 -0.9674 -0.9674 -0.9532 -0.9532 -0.9277 -0.9277 -0.7460 -0.7460 -0.3312 -0.3312 -0.2796 -0.2796 -0.2731 -0.2731 -0.2577 -0.2577 -0.2312 -0.2312 1.2272 1.2272 1.3802 1.3802 3.9576 3.9576 3.9832 3.9832 6.0679 6.0679 6.0961 6.0961 7.6704 7.6704 7.7173 7.7173 8.7062 8.7062 8.7711 8.7711 11.4214 11.4214 11.4781 11.4781 11.8600 11.8622 k = 0.3623 0.5271 0.2500 ( 4786 PWs) bands (ev): -19.6472 -19.6472 -19.6472 -19.6472 -6.3856 -6.3856 -6.3839 -6.3839 -4.4543 -4.4543 -4.4530 -4.4530 -4.3969 -4.3969 -4.3959 -4.3959 -1.2418 -1.2418 -0.9610 -0.9610 -0.9535 -0.9535 -0.9242 -0.9242 -0.7554 -0.7554 -0.3270 -0.3270 -0.2802 -0.2802 -0.2732 -0.2732 -0.2580 -0.2580 -0.2314 -0.2314 1.2329 1.2329 1.3890 1.3890 3.9525 3.9525 3.9786 3.9786 6.0417 6.0417 6.0698 6.0698 7.6721 7.6721 7.7200 7.7200 8.7093 8.7093 8.7764 8.7764 11.5075 11.5075 11.5691 11.5691 11.8716 11.8716 k = 0.3551 0.5397 0.2500 ( 4784 PWs) bands (ev): -19.6472 -19.6472 -19.6471 -19.6471 -6.3858 -6.3858 -6.3841 -6.3841 -4.4524 -4.4524 -4.4508 -4.4508 -4.4002 -4.4002 -4.3988 -4.3988 -1.2424 -1.2424 -0.9567 -0.9567 -0.9537 -0.9537 -0.9202 -0.9202 -0.7634 -0.7634 -0.3238 -0.3238 -0.2806 -0.2806 -0.2733 -0.2733 -0.2583 -0.2583 -0.2315 -0.2315 1.2377 1.2377 1.3962 1.3962 3.9476 3.9476 3.9741 3.9741 6.0217 6.0217 6.0496 6.0496 7.6735 7.6735 7.7223 7.7223 8.7115 8.7115 8.7802 8.7802 11.5821 11.5821 11.6491 11.6491 11.8858 11.8858 k = 0.3478 0.5522 0.2500 ( 4792 PWs) bands (ev): -19.6471 -19.6471 -19.6471 -19.6471 -6.3860 -6.3860 -6.3842 -6.3842 -4.4510 -4.4510 -4.4491 -4.4491 -4.4027 -4.4027 -4.4010 -4.4010 -1.2428 -1.2428 -0.9541 -0.9541 -0.9539 -0.9539 -0.9163 -0.9163 -0.7696 -0.7696 -0.3214 -0.3214 -0.2809 -0.2809 -0.2734 -0.2734 -0.2585 -0.2585 -0.2315 -0.2315 1.2414 1.2414 1.4017 1.4017 3.9434 3.9434 3.9703 3.9703 6.0076 6.0076 6.0354 6.0354 7.6745 7.6745 7.7240 7.7240 8.7127 8.7127 8.7827 8.7827 11.6453 11.6453 11.7196 11.7196 11.8975 11.8975 k = 0.3406 0.5648 0.2500 ( 4788 PWs) bands (ev): -19.6471 -19.6471 -19.6471 -19.6471 -6.3862 -6.3862 -6.3844 -6.3844 -4.4501 -4.4501 -4.4481 -4.4481 -4.4042 -4.4042 -4.4024 -4.4024 -1.2431 -1.2431 -0.9540 -0.9540 -0.9528 -0.9528 -0.9136 -0.9136 -0.7735 -0.7735 -0.3201 -0.3201 -0.2811 -0.2811 -0.2734 -0.2734 -0.2586 -0.2586 -0.2316 -0.2316 1.2438 1.2438 1.4051 1.4051 3.9405 3.9405 3.9676 3.9676 5.9994 5.9994 6.0271 6.0271 7.6752 7.6752 7.7251 7.7251 8.7133 8.7133 8.7840 8.7840 11.6938 11.6938 11.7804 11.7804 11.8991 11.8992 k = 0.3333 0.5774 0.2500 ( 4788 PWs) bands (ev): -19.6471 -19.6471 -19.6470 -19.6470 -6.3862 -6.3862 -6.3844 -6.3844 -4.4498 -4.4498 -4.4477 -4.4477 -4.4047 -4.4047 -4.4028 -4.4028 -1.2431 -1.2431 -0.9540 -0.9540 -0.9524 -0.9524 -0.9126 -0.9126 -0.7748 -0.7748 -0.3196 -0.3196 -0.2811 -0.2811 -0.2734 -0.2734 -0.2587 -0.2587 -0.2316 -0.2316 1.2447 1.2447 1.4063 1.4063 3.9395 3.9395 3.9665 3.9665 5.9967 5.9967 6.0244 6.0244 7.6755 7.6755 7.7254 7.7254 8.7134 8.7134 8.7844 8.7844 11.7148 11.7148 11.8147 11.8147 11.8933 11.8936 k = 0.3333 0.5774 0.2500 ( 4788 PWs) bands (ev): -19.6471 -19.6471 -19.6470 -19.6470 -6.3862 -6.3862 -6.3844 -6.3844 -4.4498 -4.4498 -4.4477 -4.4477 -4.4047 -4.4047 -4.4028 -4.4028 -1.2431 -1.2431 -0.9540 -0.9540 -0.9524 -0.9524 -0.9126 -0.9126 -0.7748 -0.7748 -0.3196 -0.3196 -0.2811 -0.2811 -0.2734 -0.2734 -0.2587 -0.2587 -0.2316 -0.2316 1.2447 1.2447 1.4063 1.4063 3.9395 3.9395 3.9665 3.9665 5.9967 5.9967 6.0244 6.0244 7.6755 7.6755 7.7254 7.7254 8.7134 8.7134 8.7844 8.7844 11.7148 11.7148 11.8147 11.8147 11.8933 11.8933 k = 0.3259 0.5645 0.2500 ( 4788 PWs) bands (ev): -19.6471 -19.6471 -19.6471 -19.6471 -6.3862 -6.3862 -6.3844 -6.3844 -4.4501 -4.4501 -4.4480 -4.4480 -4.4042 -4.4042 -4.4024 -4.4024 -1.2431 -1.2431 -0.9540 -0.9540 -0.9528 -0.9528 -0.9136 -0.9136 -0.7734 -0.7734 -0.3201 -0.3201 -0.2811 -0.2811 -0.2734 -0.2734 -0.2586 -0.2586 -0.2316 -0.2316 1.2437 1.2437 1.4050 1.4050 3.9408 3.9408 3.9678 3.9678 5.9994 5.9994 6.0271 6.0271 7.6752 7.6752 7.7250 7.7250 8.7134 8.7134 8.7841 8.7841 11.6907 11.6907 11.7734 11.7734 11.9077 11.9077 k = 0.3185 0.5517 0.2500 ( 4784 PWs) bands (ev): -19.6471 -19.6471 -19.6471 -19.6471 -6.3860 -6.3860 -6.3842 -6.3842 -4.4508 -4.4508 -4.4490 -4.4490 -4.4028 -4.4028 -4.4011 -4.4011 -1.2429 -1.2429 -0.9539 -0.9539 -0.9538 -0.9538 -0.9166 -0.9166 -0.7696 -0.7696 -0.3213 -0.3213 -0.2811 -0.2811 -0.2734 -0.2734 -0.2585 -0.2585 -0.2316 -0.2316 1.2407 1.2407 1.4009 1.4009 3.9452 3.9452 3.9720 3.9720 6.0072 6.0072 6.0350 6.0350 7.6743 7.6743 7.7236 7.7236 8.7135 8.7135 8.7835 8.7835 11.6336 11.6336 11.6993 11.6993 11.9424 11.9424 k = 0.3111 0.5389 0.2500 ( 4786 PWs) bands (ev): -19.6472 -19.6472 -19.6472 -19.6472 -6.3857 -6.3857 -6.3840 -6.3840 -4.4518 -4.4518 -4.4502 -4.4502 -4.4005 -4.4005 -4.3992 -4.3992 -1.2425 -1.2425 -0.9557 -0.9557 -0.9537 -0.9537 -0.9210 -0.9210 -0.7639 -0.7639 -0.3232 -0.3232 -0.2812 -0.2812 -0.2735 -0.2735 -0.2583 -0.2583 -0.2316 -0.2316 1.2355 1.2355 1.3940 1.3940 3.9532 3.9532 3.9798 3.9798 6.0198 6.0198 6.0478 6.0478 7.6726 7.6726 7.7211 7.7211 8.7143 8.7143 8.7829 8.7829 11.5634 11.5634 11.6190 11.6190 11.9790 11.9790 k = 0.3037 0.5260 0.2500 ( 4786 PWs) bands (ev): -19.6473 -19.6473 -19.6473 -19.6473 -6.3854 -6.3854 -6.3836 -6.3836 -4.4529 -4.4529 -4.4517 -4.4517 -4.3978 -4.3978 -4.3968 -4.3968 -1.2420 -1.2420 -0.9587 -0.9587 -0.9535 -0.9535 -0.9260 -0.9260 -0.7566 -0.7566 -0.3258 -0.3258 -0.2814 -0.2814 -0.2735 -0.2735 -0.2580 -0.2580 -0.2318 -0.2318 1.2279 1.2279 1.3841 1.3841 3.9654 3.9654 3.9915 3.9915 6.0367 6.0367 6.0650 6.0650 7.6700 7.6700 7.7174 7.7174 8.7159 8.7159 8.7828 8.7828 11.4883 11.4883 11.5373 11.5373 11.9994 11.9995 k = 0.2963 0.5132 0.2500 ( 4790 PWs) bands (ev): -19.6474 -19.6474 -19.6474 -19.6474 -6.3848 -6.3848 -6.3831 -6.3831 -4.4540 -4.4540 -4.4531 -4.4531 -4.3946 -4.3946 -4.3940 -4.3940 -1.2414 -1.2414 -0.9629 -0.9629 -0.9533 -0.9533 -0.9310 -0.9310 -0.7484 -0.7484 -0.3289 -0.3289 -0.2818 -0.2818 -0.2736 -0.2736 -0.2576 -0.2576 -0.2320 -0.2320 1.2180 1.2180 1.3711 1.3711 3.9821 3.9821 4.0078 4.0078 6.0576 6.0576 6.0863 6.0863 7.6665 7.6665 7.7124 7.7124 8.7190 8.7190 8.7836 8.7836 11.4114 11.4114 11.4557 11.4557 11.9951 11.9953 k = 0.2889 0.5004 0.2500 ( 4798 PWs) bands (ev): -19.6476 -19.6476 -19.6476 -19.6476 -6.3842 -6.3842 -6.3825 -6.3825 -4.4549 -4.4549 -4.4544 -4.4544 -4.3911 -4.3911 -4.3909 -4.3909 -1.2407 -1.2407 -0.9686 -0.9686 -0.9530 -0.9530 -0.9353 -0.9353 -0.7395 -0.7395 -0.3325 -0.3325 -0.2824 -0.2824 -0.2738 -0.2738 -0.2572 -0.2572 -0.2324 -0.2324 1.2055 1.2055 1.3552 1.3552 4.0038 4.0038 4.0289 4.0289 6.0822 6.0822 6.1113 6.1113 7.6619 7.6619 7.7059 7.7059 8.7237 8.7237 8.7857 8.7857 11.3342 11.3342 11.3747 11.3747 11.9715 11.9715 k = 0.2815 0.4875 0.2500 ( 4790 PWs) bands (ev): -19.6478 -19.6478 -19.6478 -19.6478 -6.3834 -6.3834 -6.3818 -6.3818 -4.4556 -4.4556 -4.4555 -4.4555 -4.3877 -4.3877 -4.3875 -4.3875 -1.2399 -1.2399 -0.9758 -0.9758 -0.9527 -0.9527 -0.9388 -0.9388 -0.7304 -0.7304 -0.3365 -0.3365 -0.2832 -0.2832 -0.2740 -0.2740 -0.2567 -0.2567 -0.2330 -0.2330 1.1906 1.1906 1.3363 1.3363 4.0307 4.0307 4.0552 4.0552 6.1101 6.1101 6.1397 6.1397 7.6561 7.6561 7.6979 7.6979 8.7306 8.7306 8.7894 8.7894 11.2574 11.2574 11.2948 11.2948 11.9322 11.9366 k = 0.2741 0.4747 0.2500 ( 4796 PWs) bands (ev): -19.6480 -19.6480 -19.6480 -19.6480 -6.3825 -6.3825 -6.3809 -6.3809 -4.4563 -4.4563 -4.4560 -4.4560 -4.3843 -4.3843 -4.3837 -4.3837 -1.2389 -1.2389 -0.9840 -0.9840 -0.9524 -0.9524 -0.9415 -0.9415 -0.7211 -0.7211 -0.3410 -0.3410 -0.2841 -0.2841 -0.2742 -0.2742 -0.2563 -0.2563 -0.2337 -0.2337 1.1734 1.1734 1.3145 1.3145 4.0630 4.0630 4.0869 4.0869 6.1409 6.1409 6.1712 6.1712 7.6490 7.6490 7.6883 7.6883 8.7400 8.7400 8.7954 8.7954 11.1815 11.1815 11.2162 11.2162 11.8888 11.8910 k = 0.2667 0.4619 0.2500 ( 4802 PWs) bands (ev): -19.6483 -19.6483 -19.6483 -19.6483 -6.3814 -6.3814 -6.3799 -6.3799 -4.4568 -4.4568 -4.4561 -4.4561 -4.3808 -4.3808 -4.3798 -4.3798 -1.2379 -1.2379 -0.9930 -0.9930 -0.9522 -0.9522 -0.9438 -0.9438 -0.7119 -0.7119 -0.3460 -0.3460 -0.2852 -0.2852 -0.2745 -0.2745 -0.2558 -0.2558 -0.2346 -0.2346 1.1539 1.1539 1.2901 1.2901 4.1008 4.1008 4.1241 4.1241 6.1743 6.1743 6.2053 6.2053 7.6405 7.6405 7.6770 7.6770 8.7522 8.7522 8.8038 8.8038 11.1067 11.1067 11.1390 11.1390 11.8245 11.8249 k = 0.2593 0.4491 0.2500 ( 4814 PWs) bands (ev): -19.6486 -19.6486 -19.6486 -19.6486 -6.3802 -6.3802 -6.3787 -6.3787 -4.4570 -4.4570 -4.4559 -4.4559 -4.3772 -4.3772 -4.3759 -4.3759 -1.2366 -1.2366 -1.0024 -1.0024 -0.9519 -0.9519 -0.9457 -0.9457 -0.7028 -0.7028 -0.3514 -0.3514 -0.2864 -0.2864 -0.2749 -0.2749 -0.2554 -0.2554 -0.2356 -0.2356 1.1322 1.1322 1.2632 1.2632 4.1442 4.1442 4.1670 4.1670 6.2101 6.2101 6.2417 6.2417 7.6306 7.6306 7.6641 7.6641 8.7674 8.7674 8.8151 8.8151 11.0334 11.0334 11.0635 11.0635 11.7507 11.7510 k = 0.2519 0.4362 0.2500 ( 4818 PWs) bands (ev): -19.6490 -19.6490 -19.6490 -19.6490 -6.3788 -6.3788 -6.3774 -6.3774 -4.4568 -4.4568 -4.4554 -4.4554 -4.3735 -4.3735 -4.3718 -4.3718 -1.2353 -1.2353 -1.0121 -1.0121 -0.9517 -0.9517 -0.9474 -0.9474 -0.6939 -0.6939 -0.3572 -0.3572 -0.2878 -0.2878 -0.2753 -0.2753 -0.2551 -0.2551 -0.2369 -0.2369 1.1086 1.1086 1.2341 1.2341 4.1932 4.1932 4.2155 4.2155 6.2479 6.2479 6.2803 6.2803 7.6192 7.6192 7.6495 7.6495 8.7860 8.7860 8.8295 8.8295 10.9617 10.9617 10.9897 10.9897 11.6718 11.6718 k = 0.2444 0.4234 0.2500 ( 4810 PWs) bands (ev): -19.6493 -19.6493 -19.6493 -19.6493 -6.3772 -6.3772 -6.3759 -6.3759 -4.4563 -4.4563 -4.4545 -4.4545 -4.3698 -4.3698 -4.3678 -4.3678 -1.2338 -1.2338 -1.0218 -1.0218 -0.9516 -0.9516 -0.9490 -0.9490 -0.6852 -0.6852 -0.3634 -0.3634 -0.2894 -0.2894 -0.2758 -0.2758 -0.2548 -0.2548 -0.2382 -0.2382 1.0833 1.0833 1.2031 1.2031 4.2477 4.2477 4.2695 4.2695 6.2874 6.2874 6.3206 6.3206 7.6065 7.6065 7.6335 7.6335 8.8081 8.8081 8.8474 8.8474 10.8917 10.8917 10.9177 10.9177 11.5892 11.5892 k = 0.2370 0.4106 0.2500 ( 4800 PWs) bands (ev): -19.6498 -19.6498 -19.6497 -19.6497 -6.3756 -6.3756 -6.3743 -6.3743 -4.4555 -4.4555 -4.4534 -4.4534 -4.3661 -4.3661 -4.3637 -4.3637 -1.2322 -1.2322 -1.0315 -1.0315 -0.9515 -0.9515 -0.9506 -0.9506 -0.6769 -0.6769 -0.3700 -0.3700 -0.2910 -0.2910 -0.2763 -0.2763 -0.2546 -0.2546 -0.2397 -0.2397 1.0565 1.0565 1.1703 1.1703 4.3076 4.3076 4.3291 4.3291 6.3283 6.3283 6.3622 6.3622 7.5925 7.5925 7.6162 7.6162 8.8338 8.8338 8.8689 8.8689 10.8235 10.8235 10.8477 10.8477 11.5047 11.5047 k = 0.2296 0.3977 0.2500 ( 4800 PWs) bands (ev): -19.6502 -19.6502 -19.6502 -19.6502 -6.3737 -6.3737 -6.3726 -6.3726 -4.4543 -4.4543 -4.4519 -4.4519 -4.3622 -4.3622 -4.3595 -4.3595 -1.2305 -1.2305 -1.0410 -1.0410 -0.9521 -0.9521 -0.9515 -0.9515 -0.6689 -0.6689 -0.3770 -0.3770 -0.2928 -0.2928 -0.2770 -0.2770 -0.2545 -0.2545 -0.2413 -0.2413 1.0284 1.0284 1.1361 1.1361 4.3728 4.3728 4.3940 4.3940 6.3703 6.3703 6.4049 6.4049 7.5775 7.5775 7.5978 7.5978 8.8632 8.8632 8.8943 8.8943 10.7574 10.7574 10.7797 10.7797 11.4195 11.4195 k = 0.2222 0.3849 0.2500 ( 4804 PWs) bands (ev): -19.6507 -19.6507 -19.6507 -19.6507 -6.3718 -6.3718 -6.3707 -6.3707 -4.4529 -4.4529 -4.4502 -4.4502 -4.3583 -4.3583 -4.3553 -4.3553 -1.2286 -1.2286 -1.0504 -1.0504 -0.9536 -0.9536 -0.9517 -0.9517 -0.6612 -0.6612 -0.3844 -0.3844 -0.2947 -0.2947 -0.2778 -0.2778 -0.2545 -0.2545 -0.2429 -0.2429 0.9993 0.9993 1.1008 1.1008 4.4431 4.4431 4.4642 4.4642 6.4130 6.4130 6.4483 6.4483 7.5617 7.5617 7.5787 7.5787 8.8964 8.8964 8.9235 8.9235 10.6933 10.6933 10.7139 10.7139 11.3344 11.3344 k = 0.2148 0.3721 0.2500 ( 4804 PWs) bands (ev): -19.6512 -19.6512 -19.6512 -19.6512 -6.3697 -6.3697 -6.3687 -6.3687 -4.4512 -4.4512 -4.4482 -4.4482 -4.3542 -4.3542 -4.3510 -4.3510 -1.2266 -1.2266 -1.0596 -1.0596 -0.9551 -0.9551 -0.9519 -0.9519 -0.6539 -0.6539 -0.3922 -0.3922 -0.2967 -0.2967 -0.2788 -0.2788 -0.2545 -0.2545 -0.2446 -0.2446 0.9694 0.9694 1.0646 1.0646 4.5184 4.5184 4.5394 4.5394 6.4559 6.4559 6.4918 6.4918 7.5456 7.5456 7.5594 7.5594 8.9334 8.9334 8.9567 8.9567 10.6315 10.6315 10.6503 10.6503 11.2500 11.2500 k = 0.2074 0.3592 0.2500 ( 4806 PWs) bands (ev): -19.6517 -19.6517 -19.6517 -19.6517 -6.3675 -6.3675 -6.3666 -6.3666 -4.4493 -4.4493 -4.4461 -4.4461 -4.3500 -4.3500 -4.3466 -4.3466 -1.2245 -1.2245 -1.0685 -1.0685 -0.9566 -0.9566 -0.9523 -0.9523 -0.6468 -0.6468 -0.4003 -0.4003 -0.2987 -0.2987 -0.2799 -0.2799 -0.2547 -0.2547 -0.2462 -0.2462 0.9388 0.9388 1.0278 1.0278 4.5984 4.5984 4.6195 4.6195 6.4985 6.4985 6.5350 6.5350 7.5296 7.5296 7.5403 7.5403 8.9742 8.9742 8.9939 8.9939 10.5719 10.5719 10.5890 10.5890 11.1669 11.1669 k = 0.2000 0.3464 0.2500 ( 4818 PWs) bands (ev): -19.6523 -19.6523 -19.6523 -19.6523 -6.3652 -6.3652 -6.3644 -6.3644 -4.4472 -4.4472 -4.4439 -4.4439 -4.3456 -4.3456 -4.3421 -4.3421 -1.2222 -1.2222 -1.0772 -1.0772 -0.9581 -0.9581 -0.9529 -0.9529 -0.6401 -0.6401 -0.4087 -0.4087 -0.3009 -0.3009 -0.2811 -0.2811 -0.2549 -0.2549 -0.2479 -0.2479 0.9079 0.9079 0.9906 0.9906 4.6830 4.6830 4.7042 4.7042 6.5404 6.5404 6.5772 6.5772 7.5145 7.5145 7.5222 7.5222 9.0186 9.0186 9.0350 9.0350 10.5147 10.5147 10.5302 10.5302 11.0854 11.0854 k = 0.1926 0.3336 0.2500 ( 4812 PWs) bands (ev): -19.6529 -19.6529 -19.6529 -19.6529 -6.3629 -6.3629 -6.3621 -6.3621 -4.4450 -4.4450 -4.4415 -4.4415 -4.3411 -4.3411 -4.3374 -4.3374 -1.2199 -1.2199 -1.0855 -1.0855 -0.9597 -0.9597 -0.9535 -0.9535 -0.6338 -0.6338 -0.4175 -0.4175 -0.3032 -0.3032 -0.2827 -0.2827 -0.2552 -0.2552 -0.2494 -0.2494 0.8768 0.8768 0.9533 0.9533 4.7720 4.7720 4.7934 4.7934 6.5807 6.5807 6.6178 6.6178 7.5011 7.5011 7.5057 7.5057 9.0666 9.0666 9.0800 9.0800 10.4600 10.4600 10.4739 10.4739 11.0058 11.0058 k = 0.1852 0.3208 0.2500 ( 4804 PWs) bands (ev): -19.6535 -19.6535 -19.6535 -19.6535 -6.3604 -6.3604 -6.3597 -6.3597 -4.4426 -4.4426 -4.4391 -4.4391 -4.3363 -4.3363 -4.3326 -4.3326 -1.2174 -1.2174 -1.0935 -1.0935 -0.9613 -0.9613 -0.9544 -0.9544 -0.6277 -0.6277 -0.4264 -0.4264 -0.3056 -0.3056 -0.2844 -0.2844 -0.2555 -0.2555 -0.2509 -0.2509 0.8458 0.8458 0.9161 0.9161 4.8651 4.8651 4.8868 4.8868 6.6188 6.6188 6.6558 6.6558 7.4902 7.4902 7.4919 7.4919 9.1181 9.1181 9.1287 9.1287 10.4080 10.4080 10.4202 10.4202 10.9283 10.9283 k = 0.1778 0.3079 0.2500 ( 4804 PWs) bands (ev): -19.6541 -19.6541 -19.6541 -19.6541 -6.3579 -6.3579 -6.3572 -6.3572 -4.4402 -4.4402 -4.4368 -4.4368 -4.3313 -4.3313 -4.3276 -4.3276 -1.2148 -1.2148 -1.1011 -1.1011 -0.9629 -0.9629 -0.9555 -0.9555 -0.6219 -0.6219 -0.4356 -0.4356 -0.3080 -0.3080 -0.2864 -0.2864 -0.2559 -0.2559 -0.2523 -0.2523 0.8148 0.8148 0.8791 0.8791 4.9620 4.9620 4.9842 4.9842 6.6536 6.6536 6.6904 6.6904 7.4818 7.4818 7.4831 7.4831 9.1729 9.1729 9.1810 9.1810 10.3587 10.3587 10.3693 10.3693 10.8529 10.8529 k = 0.1704 0.2951 0.2500 ( 4804 PWs) bands (ev): -19.6547 -19.6547 -19.6547 -19.6547 -6.3553 -6.3553 -6.3547 -6.3547 -4.4379 -4.4379 -4.4344 -4.4344 -4.3261 -4.3261 -4.3224 -4.3224 -1.2122 -1.2122 -1.1084 -1.1084 -0.9646 -0.9646 -0.9567 -0.9567 -0.6164 -0.6164 -0.4448 -0.4448 -0.3105 -0.3105 -0.2887 -0.2887 -0.2562 -0.2562 -0.2535 -0.2535 0.7843 0.7843 0.8426 0.8426 5.0627 5.0627 5.0853 5.0853 6.6844 6.6844 6.7205 6.7205 7.4765 7.4765 7.4808 7.4808 9.2307 9.2307 9.2366 9.2366 10.3123 10.3123 10.3212 10.3212 10.7799 10.7799 k = 0.1630 0.2823 0.2500 ( 4796 PWs) bands (ev): -19.6553 -19.6553 -19.6553 -19.6553 -6.3527 -6.3527 -6.3522 -6.3522 -4.4355 -4.4355 -4.4322 -4.4322 -4.3206 -4.3206 -4.3170 -4.3170 -1.2094 -1.2094 -1.1153 -1.1153 -0.9663 -0.9663 -0.9581 -0.9581 -0.6112 -0.6112 -0.4542 -0.4542 -0.3130 -0.3130 -0.2914 -0.2914 -0.2565 -0.2565 -0.2546 -0.2546 0.7542 0.7542 0.8068 0.8068 5.1666 5.1666 5.1898 5.1898 6.7101 6.7101 6.7453 6.7453 7.4770 7.4770 7.4844 7.4844 9.2913 9.2913 9.2952 9.2952 10.2690 10.2690 10.2763 10.2763 10.7093 10.7093 k = 0.1556 0.2694 0.2500 ( 4800 PWs) bands (ev): -19.6560 -19.6560 -19.6560 -19.6560 -6.3501 -6.3501 -6.3496 -6.3496 -4.4333 -4.4333 -4.4301 -4.4301 -4.3148 -4.3148 -4.3114 -4.3114 -1.2067 -1.2067 -1.1218 -1.1218 -0.9680 -0.9680 -0.9597 -0.9597 -0.6063 -0.6063 -0.4635 -0.4635 -0.3157 -0.3157 -0.2943 -0.2943 -0.2568 -0.2568 -0.2556 -0.2556 0.7246 0.7246 0.7718 0.7718 5.2736 5.2736 5.2973 5.2973 6.7302 6.7302 6.7641 6.7641 7.4842 7.4842 7.4947 7.4947 9.3542 9.3542 9.3564 9.3564 10.2290 10.2290 10.2345 10.2345 10.6412 10.6412 k = 0.1481 0.2566 0.2500 ( 4800 PWs) bands (ev): -19.6566 -19.6566 -19.6566 -19.6566 -6.3474 -6.3474 -6.3470 -6.3470 -4.4311 -4.4311 -4.4282 -4.4282 -4.3088 -4.3088 -4.3057 -4.3057 -1.2039 -1.2039 -1.1279 -1.1279 -0.9698 -0.9698 -0.9614 -0.9614 -0.6016 -0.6016 -0.4727 -0.4727 -0.3183 -0.3183 -0.2975 -0.2975 -0.2571 -0.2571 -0.2565 -0.2565 0.6959 0.6959 0.7377 0.7377 5.3833 5.3833 5.4075 5.4075 6.7444 6.7444 6.7770 6.7770 7.4987 7.4987 7.5121 7.5121 9.4189 9.4189 9.4196 9.4196 10.1925 10.1925 10.1962 10.1962 10.5757 10.5757 k = 0.1407 0.2438 0.2500 ( 4808 PWs) bands (ev): -19.6573 -19.6573 -19.6573 -19.6573 -6.3448 -6.3448 -6.3445 -6.3445 -4.4291 -4.4291 -4.4264 -4.4264 -4.3026 -4.3026 -4.2997 -4.2997 -1.2010 -1.2010 -1.1335 -1.1335 -0.9716 -0.9716 -0.9634 -0.9634 -0.5972 -0.5972 -0.4818 -0.4818 -0.3211 -0.3211 -0.3010 -0.3010 -0.2573 -0.2573 -0.2572 -0.2572 0.6679 0.6679 0.7047 0.7047 5.4950 5.4950 5.5198 5.5198 6.7533 6.7533 6.7844 6.7844 7.5203 7.5203 7.5366 7.5366 9.4840 9.4840 9.4846 9.4846 10.1599 10.1599 10.1614 10.1614 10.5130 10.5130 k = 0.1333 0.2309 0.2500 ( 4806 PWs) bands (ev): -19.6579 -19.6579 -19.6579 -19.6579 -6.3423 -6.3423 -6.3420 -6.3420 -4.4273 -4.4273 -4.4248 -4.4248 -4.2962 -4.2962 -4.2935 -4.2935 -1.1982 -1.1982 -1.1388 -1.1388 -0.9735 -0.9735 -0.9655 -0.9655 -0.5930 -0.5930 -0.4907 -0.4907 -0.3238 -0.3238 -0.3047 -0.3047 -0.2577 -0.2577 -0.2575 -0.2575 0.6408 0.6408 0.6729 0.6729 5.6082 5.6082 5.6336 5.6336 6.7577 6.7577 6.7873 6.7873 7.5487 7.5487 7.5675 7.5675 9.5486 9.5486 9.5502 9.5502 10.1304 10.1304 10.1315 10.1315 10.4537 10.4537 k = 0.1259 0.2181 0.2500 ( 4810 PWs) bands (ev): -19.6586 -19.6586 -19.6586 -19.6586 -6.3397 -6.3397 -6.3395 -6.3395 -4.4256 -4.4256 -4.4234 -4.4234 -4.2896 -4.2896 -4.2872 -4.2872 -1.1955 -1.1955 -1.1436 -1.1436 -0.9754 -0.9754 -0.9677 -0.9677 -0.5892 -0.5892 -0.4993 -0.4993 -0.3266 -0.3266 -0.3087 -0.3087 -0.2581 -0.2581 -0.2576 -0.2576 0.6147 0.6147 0.6424 0.6424 5.7219 5.7219 5.7479 5.7479 6.7593 6.7593 6.7876 6.7876 7.5830 7.5830 7.6038 7.6038 9.6115 9.6115 9.6137 9.6137 10.1034 10.1034 10.1080 10.1080 10.3987 10.3987 k = 0.1185 0.2053 0.2500 ( 4794 PWs) bands (ev): -19.6592 -19.6592 -19.6592 -19.6592 -6.3373 -6.3373 -6.3371 -6.3371 -4.4241 -4.4241 -4.4221 -4.4221 -4.2830 -4.2830 -4.2809 -4.2809 -1.1927 -1.1927 -1.1481 -1.1481 -0.9773 -0.9773 -0.9701 -0.9701 -0.5855 -0.5855 -0.5075 -0.5075 -0.3294 -0.3294 -0.3128 -0.3128 -0.2584 -0.2584 -0.2577 -0.2577 0.5897 0.5897 0.6132 0.6132 5.8347 5.8347 5.8612 5.8612 6.7604 6.7604 6.7875 6.7875 7.6220 7.6220 7.6445 7.6445 9.6698 9.6698 9.6722 9.6722 10.0808 10.0808 10.0902 10.0902 10.3497 10.3497 k = 0.1111 0.1925 0.2500 ( 4794 PWs) bands (ev): -19.6598 -19.6598 -19.6598 -19.6598 -6.3349 -6.3349 -6.3347 -6.3347 -4.4227 -4.4227 -4.4211 -4.4211 -4.2762 -4.2762 -4.2744 -4.2744 -1.1901 -1.1901 -1.1521 -1.1521 -0.9792 -0.9792 -0.9726 -0.9726 -0.5822 -0.5822 -0.5153 -0.5153 -0.3322 -0.3322 -0.3172 -0.3172 -0.2585 -0.2585 -0.2578 -0.2578 0.5659 0.5659 0.5856 0.5856 5.9448 5.9448 5.9715 5.9715 6.7641 6.7641 6.7898 6.7898 7.6646 7.6646 7.6883 7.6883 9.7189 9.7189 9.7211 9.7211 10.0628 10.0628 10.0793 10.0793 10.3099 10.3099 k = 0.1037 0.1796 0.2500 ( 4798 PWs) bands (ev): -19.6604 -19.6604 -19.6604 -19.6604 -6.3326 -6.3326 -6.3325 -6.3325 -4.4215 -4.4215 -4.4201 -4.4201 -4.2696 -4.2696 -4.2680 -4.2680 -1.1876 -1.1876 -1.1556 -1.1556 -0.9811 -0.9811 -0.9752 -0.9752 -0.5791 -0.5791 -0.5226 -0.5226 -0.3350 -0.3350 -0.3216 -0.3216 -0.2586 -0.2586 -0.2578 -0.2578 0.5432 0.5432 0.5596 0.5596 6.0491 6.0491 6.0754 6.0754 6.7744 6.7744 6.7984 6.7984 7.7097 7.7097 7.7342 7.7342 9.7520 9.7520 9.7537 9.7537 10.0503 10.0503 10.0759 10.0759 10.2840 10.2842 k = 0.0963 0.1668 0.2500 ( 4790 PWs) bands (ev): -19.6610 -19.6610 -19.6610 -19.6610 -6.3304 -6.3304 -6.3303 -6.3303 -4.4205 -4.4205 -4.4194 -4.4194 -4.2629 -4.2629 -4.2617 -4.2617 -1.1852 -1.1852 -1.1588 -1.1588 -0.9831 -0.9831 -0.9778 -0.9778 -0.5763 -0.5763 -0.5294 -0.5294 -0.3378 -0.3378 -0.3260 -0.3260 -0.2585 -0.2585 -0.2577 -0.2577 0.5218 0.5218 0.5351 0.5351 6.1433 6.1433 6.1682 6.1682 6.7967 6.7967 6.8182 6.8182 7.7563 7.7563 7.7810 7.7810 9.7610 9.7610 9.7632 9.7632 10.0441 10.0441 10.0776 10.0776 10.2697 10.2697 k = 0.0889 0.1540 0.2500 ( 4790 PWs) bands (ev): -19.6615 -19.6615 -19.6615 -19.6615 -6.3283 -6.3283 -6.3282 -6.3282 -4.4197 -4.4197 -4.4187 -4.4187 -4.2565 -4.2565 -4.2554 -4.2554 -1.1830 -1.1830 -1.1616 -1.1616 -0.9850 -0.9850 -0.9804 -0.9804 -0.5738 -0.5738 -0.5356 -0.5356 -0.3405 -0.3405 -0.3305 -0.3305 -0.2584 -0.2584 -0.2577 -0.2577 0.5018 0.5018 0.5124 0.5124 6.2223 6.2223 6.2443 6.2443 6.8374 6.8374 6.8549 6.8549 7.8032 7.8032 7.8278 7.8278 9.7419 9.7419 9.7465 9.7465 10.0443 10.0443 10.0800 10.0800 10.2802 10.2802 k = 0.0815 0.1411 0.2500 ( 4794 PWs) bands (ev): -19.6620 -19.6620 -19.6620 -19.6620 -6.3264 -6.3264 -6.3263 -6.3263 -4.4190 -4.4190 -4.4182 -4.4182 -4.2502 -4.2502 -4.2494 -4.2494 -1.1809 -1.1809 -1.1640 -1.1640 -0.9869 -0.9869 -0.9830 -0.9830 -0.5716 -0.5716 -0.5411 -0.5411 -0.3432 -0.3432 -0.3348 -0.3348 -0.2582 -0.2582 -0.2575 -0.2575 0.4831 0.4831 0.4913 0.4913 6.2818 6.2818 6.2995 6.2995 6.9008 6.9008 6.9133 6.9133 7.8497 7.8497 7.8739 7.8739 9.6970 9.6970 9.7050 9.7050 10.0502 10.0502 10.0824 10.0824 10.3123 10.3123 k = 0.0741 0.1283 0.2500 ( 4794 PWs) bands (ev): -19.6625 -19.6625 -19.6625 -19.6625 -6.3246 -6.3246 -6.3245 -6.3245 -4.4184 -4.4184 -4.4178 -4.4178 -4.2443 -4.2443 -4.2436 -4.2436 -1.1791 -1.1791 -1.1660 -1.1660 -0.9887 -0.9887 -0.9856 -0.9856 -0.5697 -0.5697 -0.5461 -0.5461 -0.3458 -0.3458 -0.3390 -0.3390 -0.2580 -0.2580 -0.2574 -0.2574 0.4658 0.4658 0.4721 0.4721 6.3212 6.3212 6.3341 6.3341 6.9872 6.9872 6.9942 6.9942 7.8949 7.8949 7.9182 7.9182 9.6317 9.6317 9.6424 9.6424 10.0617 10.0617 10.0885 10.0885 10.3559 10.3559 k = 0.0667 0.1155 0.2500 ( 4802 PWs) bands (ev): -19.6629 -19.6629 -19.6629 -19.6629 -6.3229 -6.3229 -6.3229 -6.3229 -4.4179 -4.4179 -4.4175 -4.4175 -4.2386 -4.2386 -4.2382 -4.2382 -1.1774 -1.1774 -1.1676 -1.1676 -0.9905 -0.9905 -0.9880 -0.9880 -0.5681 -0.5681 -0.5504 -0.5504 -0.3483 -0.3483 -0.3430 -0.3430 -0.2577 -0.2577 -0.2573 -0.2573 0.4500 0.4500 0.4546 0.4546 6.3436 6.3436 6.3524 6.3524 7.0922 7.0922 7.0946 7.0946 7.9381 7.9381 7.9602 7.9602 9.5506 9.5506 9.5627 9.5627 10.0789 10.0789 10.1007 10.1007 10.4018 10.4018 k = 0.0593 0.1026 0.2500 ( 4808 PWs) bands (ev): -19.6634 -19.6634 -19.6634 -19.6634 -6.3214 -6.3214 -6.3214 -6.3214 -4.4175 -4.4175 -4.4172 -4.4172 -4.2334 -4.2334 -4.2331 -4.2331 -1.1760 -1.1760 -1.1689 -1.1689 -0.9922 -0.9922 -0.9903 -0.9903 -0.5668 -0.5668 -0.5541 -0.5541 -0.3507 -0.3507 -0.3468 -0.3468 -0.2575 -0.2575 -0.2571 -0.2571 0.4358 0.4358 0.4390 0.4390 6.3541 6.3541 6.3598 6.3598 7.2095 7.2095 7.2105 7.2105 7.9788 7.9788 7.9993 7.9993 9.4569 9.4569 9.4691 9.4691 10.1021 10.1021 10.1197 10.1197 10.4430 10.4430 k = 0.0519 0.0898 0.2500 ( 4796 PWs) bands (ev): -19.6637 -19.6637 -19.6637 -19.6637 -6.3201 -6.3201 -6.3201 -6.3201 -4.4172 -4.4172 -4.4170 -4.4170 -4.2287 -4.2287 -4.2284 -4.2284 -1.1748 -1.1748 -1.1700 -1.1700 -0.9938 -0.9938 -0.9924 -0.9924 -0.5659 -0.5659 -0.5571 -0.5571 -0.3529 -0.3529 -0.3501 -0.3501 -0.2572 -0.2572 -0.2569 -0.2569 0.4230 0.4230 0.4252 0.4252 6.3571 6.3571 6.3606 6.3606 7.3343 7.3343 7.3377 7.3377 8.0162 8.0162 8.0348 8.0348 9.3528 9.3528 9.3640 9.3640 10.1315 10.1315 10.1456 10.1456 10.4750 10.4750 k = 0.0444 0.0770 0.2500 ( 4800 PWs) bands (ev): -19.6640 -19.6640 -19.6640 -19.6640 -6.3189 -6.3189 -6.3189 -6.3189 -4.4170 -4.4170 -4.4168 -4.4168 -4.2244 -4.2244 -4.2243 -4.2243 -1.1738 -1.1738 -1.1707 -1.1707 -0.9952 -0.9952 -0.9943 -0.9943 -0.5652 -0.5652 -0.5596 -0.5596 -0.3550 -0.3550 -0.3531 -0.3531 -0.2569 -0.2569 -0.2567 -0.2567 0.4119 0.4119 0.4133 0.4133 6.3557 6.3557 6.3578 6.3578 7.4655 7.4655 7.4702 7.4702 8.0500 8.0500 8.0665 8.0665 9.2402 9.2402 9.2499 9.2499 10.1668 10.1668 10.1779 10.1779 10.4957 10.4957 k = 0.0370 0.0642 0.2500 ( 4800 PWs) bands (ev): -19.6643 -19.6643 -19.6643 -19.6643 -6.3179 -6.3179 -6.3179 -6.3179 -4.4168 -4.4168 -4.4167 -4.4167 -4.2208 -4.2208 -4.2207 -4.2207 -1.1731 -1.1731 -1.1712 -1.1712 -0.9965 -0.9965 -0.9960 -0.9960 -0.5648 -0.5648 -0.5615 -0.5615 -0.3568 -0.3568 -0.3557 -0.3557 -0.2567 -0.2567 -0.2566 -0.2566 0.4024 0.4024 0.4032 0.4032 6.3522 6.3522 6.3533 6.3533 7.6000 7.6000 7.6054 7.6054 8.0800 8.0800 8.0941 8.0941 9.1212 9.1212 9.1288 9.1288 10.2075 10.2075 10.2162 10.2162 10.5060 10.5060 k = 0.0296 0.0513 0.2500 ( 4796 PWs) bands (ev): -19.6645 -19.6645 -19.6645 -19.6645 -6.3171 -6.3171 -6.3171 -6.3171 -4.4167 -4.4167 -4.4166 -4.4166 -4.2177 -4.2177 -4.2177 -4.2177 -1.1725 -1.1725 -1.1716 -1.1716 -0.9976 -0.9976 -0.9973 -0.9973 -0.5646 -0.5646 -0.5629 -0.5629 -0.3584 -0.3584 -0.3578 -0.3578 -0.2565 -0.2565 -0.2564 -0.2564 0.3946 0.3946 0.3950 0.3950 6.3479 6.3479 6.3484 6.3484 7.7348 7.7348 7.7403 7.7403 8.1063 8.1063 8.1177 8.1177 8.9980 8.9980 9.0035 9.0035 10.2530 10.2530 10.2593 10.2593 10.5091 10.5091 k = 0.0222 0.0385 0.2500 ( 4788 PWs) bands (ev): -19.6647 -19.6647 -19.6647 -19.6647 -6.3164 -6.3164 -6.3164 -6.3164 -4.4166 -4.4166 -4.4166 -4.4166 -4.2153 -4.2153 -4.2153 -4.2153 -1.1722 -1.1722 -1.1717 -1.1717 -0.9985 -0.9985 -0.9984 -0.9984 -0.5646 -0.5646 -0.5639 -0.5639 -0.3597 -0.3597 -0.3594 -0.3594 -0.2563 -0.2563 -0.2563 -0.2563 0.3884 0.3884 0.3886 0.3886 6.3438 6.3438 6.3440 6.3440 7.8656 7.8656 7.8704 7.8704 8.1298 8.1298 8.1381 8.1381 8.8741 8.8741 8.8775 8.8775 10.3017 10.3017 10.3059 10.3059 10.5092 10.5092 k = 0.0148 0.0257 0.2500 ( 4784 PWs) bands (ev): -19.6648 -19.6648 -19.6648 -19.6648 -6.3160 -6.3160 -6.3160 -6.3160 -4.4165 -4.4165 -4.4165 -4.4165 -4.2136 -4.2136 -4.2135 -4.2135 -1.1719 -1.1719 -1.1718 -1.1718 -0.9992 -0.9992 -0.9991 -0.9991 -0.5647 -0.5647 -0.5644 -0.5644 -0.3607 -0.3607 -0.3606 -0.3606 -0.2562 -0.2562 -0.2562 -0.2562 0.3840 0.3840 0.3841 0.3841 6.3405 6.3405 6.3406 6.3406 7.9828 7.9828 7.9861 7.9861 8.1539 8.1539 8.1588 8.1588 8.7556 8.7556 8.7571 8.7571 10.3505 10.3505 10.3527 10.3527 10.5106 10.5106 k = 0.0074 0.0128 0.2500 ( 4780 PWs) bands (ev): -19.6649 -19.6649 -19.6649 -19.6649 -6.3157 -6.3157 -6.3157 -6.3157 -4.4165 -4.4165 -4.4165 -4.4165 -4.2125 -4.2125 -4.2125 -4.2125 -1.1718 -1.1718 -1.1718 -1.1718 -0.9996 -0.9996 -0.9996 -0.9996 -0.5648 -0.5648 -0.5647 -0.5647 -0.3613 -0.3613 -0.3613 -0.3613 -0.2561 -0.2561 -0.2561 -0.2561 0.3814 0.3814 0.3814 0.3814 6.3383 6.3383 6.3384 6.3384 8.0636 8.0636 8.0644 8.0644 8.1868 8.1868 8.1879 8.1879 8.6573 8.6573 8.6576 8.6576 10.3918 10.3918 10.3923 10.3923 10.5192 10.5192 k = 0.0000 0.0000 0.2500 ( 4786 PWs) bands (ev): -19.6649 -19.6649 -19.6649 -19.6649 -6.3156 -6.3156 -6.3156 -6.3156 -4.4165 -4.4165 -4.4165 -4.4165 -4.2122 -4.2122 -4.2122 -4.2122 -1.1718 -1.1718 -1.1718 -1.1718 -0.9997 -0.9997 -0.9997 -0.9997 -0.5648 -0.5648 -0.5648 -0.5648 -0.3615 -0.3615 -0.3615 -0.3615 -0.2561 -0.2561 -0.2561 -0.2561 0.3805 0.3805 0.3805 0.3805 6.3376 6.3376 6.3376 6.3376 8.0882 8.0882 8.0882 8.0882 8.2102 8.2102 8.2102 8.2102 8.6143 8.6143 8.6143 8.6143 10.4093 10.4093 10.4093 10.4093 10.5415 10.5415 k = 0.5000 0.2887 0.2500 ( 4804 PWs) bands (ev): -19.6490 -19.6490 -19.6490 -19.6490 -6.3796 -6.3796 -6.3796 -6.3796 -4.4898 -4.4898 -4.4898 -4.4898 -4.3314 -4.3314 -4.3314 -4.3314 -1.1655 -1.1655 -1.1655 -1.1655 -0.9425 -0.9425 -0.9425 -0.9425 -0.5086 -0.5086 -0.5086 -0.5086 -0.2692 -0.2692 -0.2692 -0.2692 -0.2396 -0.2396 -0.2396 -0.2396 1.1798 1.1798 1.1798 1.1798 3.9721 3.9721 3.9721 3.9721 6.9777 6.9777 6.9777 6.9777 7.6488 7.6488 7.6488 7.6488 8.5585 8.5585 8.5585 8.5585 9.6744 9.6744 9.6744 9.6744 12.6179 12.6179 k = 0.5000 0.2887 0.2353 ( 4804 PWs) bands (ev): -19.6494 -19.6494 -19.6487 -19.6487 -6.3807 -6.3807 -6.3784 -6.3784 -4.4901 -4.4901 -4.4898 -4.4898 -4.3347 -4.3347 -4.3279 -4.3279 -1.1690 -1.1690 -1.1620 -1.1620 -0.9444 -0.9444 -0.9407 -0.9407 -0.5110 -0.5110 -0.5062 -0.5062 -0.2706 -0.2706 -0.2679 -0.2679 -0.2411 -0.2411 -0.2381 -0.2381 1.1645 1.1645 1.1951 1.1951 3.9331 3.9331 4.0118 4.0118 6.9434 6.9434 7.0127 7.0127 7.6199 7.6199 7.6752 7.6752 8.5411 8.5411 8.5684 8.5684 9.6792 9.6792 9.6862 9.6862 12.5341 12.5341 k = 0.5000 0.2887 0.2206 ( 4812 PWs) bands (ev): -19.6498 -19.6498 -19.6483 -19.6483 -6.3819 -6.3819 -6.3773 -6.3773 -4.4905 -4.4905 -4.4899 -4.4899 -4.3376 -4.3376 -4.3241 -4.3241 -1.1724 -1.1724 -1.1586 -1.1586 -0.9462 -0.9462 -0.9389 -0.9389 -0.5134 -0.5134 -0.5038 -0.5038 -0.2720 -0.2720 -0.2665 -0.2665 -0.2426 -0.2426 -0.2365 -0.2365 1.1493 1.1493 1.2103 1.2103 3.8951 3.8951 4.0521 4.0521 6.9100 6.9100 7.0480 7.0480 7.5886 7.5886 7.6993 7.6993 8.5179 8.5179 8.5701 8.5701 9.7013 9.7013 9.7132 9.7132 12.4500 12.4500 k = 0.5000 0.2887 0.2059 ( 4812 PWs) bands (ev): -19.6502 -19.6502 -19.6479 -19.6479 -6.3831 -6.3831 -6.3763 -6.3763 -4.4912 -4.4912 -4.4903 -4.4903 -4.3402 -4.3402 -4.3201 -4.3201 -1.1759 -1.1759 -1.1553 -1.1553 -0.9479 -0.9479 -0.9370 -0.9370 -0.5158 -0.5158 -0.5014 -0.5014 -0.2733 -0.2733 -0.2651 -0.2651 -0.2440 -0.2440 -0.2349 -0.2349 1.1343 1.1343 1.2253 1.2253 3.8585 3.8585 4.0925 4.0925 6.8777 6.8777 7.0834 7.0834 7.5551 7.5551 7.7210 7.7210 8.4908 8.4908 8.5637 8.5637 9.7398 9.7398 9.7539 9.7539 12.3680 12.3680 k = 0.5000 0.2887 0.1912 ( 4816 PWs) bands (ev): -19.6505 -19.6505 -19.6476 -19.6476 -6.3842 -6.3842 -6.3752 -6.3752 -4.4921 -4.4921 -4.4907 -4.4907 -4.3424 -4.3424 -4.3160 -4.3160 -1.1792 -1.1792 -1.1520 -1.1520 -0.9496 -0.9496 -0.9353 -0.9353 -0.5181 -0.5181 -0.4991 -0.4991 -0.2746 -0.2746 -0.2638 -0.2638 -0.2453 -0.2453 -0.2334 -0.2334 1.1198 1.1198 1.2399 1.2399 3.8233 3.8233 4.1327 4.1327 6.8468 6.8468 7.1185 7.1185 7.5196 7.5196 7.7406 7.7406 8.4617 8.4617 8.5502 8.5502 9.7913 9.7913 9.8079 9.8079 12.2890 12.2890 k = 0.5000 0.2887 0.1765 ( 4818 PWs) bands (ev): -19.6509 -19.6509 -19.6472 -19.6472 -6.3854 -6.3854 -6.3742 -6.3742 -4.4932 -4.4932 -4.4914 -4.4914 -4.3443 -4.3443 -4.3119 -4.3119 -1.1825 -1.1825 -1.1489 -1.1489 -0.9513 -0.9513 -0.9335 -0.9335 -0.5203 -0.5203 -0.4969 -0.4969 -0.2759 -0.2759 -0.2625 -0.2625 -0.2465 -0.2465 -0.2318 -0.2318 1.1057 1.1057 1.2540 1.2540 3.7899 3.7899 4.1725 4.1725 6.8174 6.8174 7.1531 7.1531 7.4827 7.4827 7.7582 7.7582 8.4323 8.4323 8.5312 8.5312 9.8505 9.8505 9.8764 9.8764 12.2135 12.2135 k = 0.5000 0.2887 0.1618 ( 4818 PWs) bands (ev): -19.6512 -19.6512 -19.6469 -19.6469 -6.3864 -6.3864 -6.3733 -6.3733 -4.4944 -4.4944 -4.4921 -4.4921 -4.3459 -4.3459 -4.3078 -4.3078 -1.1856 -1.1856 -1.1459 -1.1459 -0.9528 -0.9528 -0.9319 -0.9319 -0.5224 -0.5224 -0.4948 -0.4948 -0.2771 -0.2771 -0.2612 -0.2612 -0.2477 -0.2477 -0.2303 -0.2303 1.0923 1.0923 1.2674 1.2674 3.7585 3.7585 4.2113 4.2113 6.7897 6.7897 7.1868 7.1868 7.4447 7.4447 7.7739 7.7739 8.4036 8.4036 8.5086 8.5086 9.9143 9.9143 9.9585 9.9585 12.1421 12.1421 k = 0.5000 0.2887 0.1471 ( 4816 PWs) bands (ev): -19.6515 -19.6515 -19.6466 -19.6466 -6.3875 -6.3875 -6.3725 -6.3725 -4.4957 -4.4957 -4.4928 -4.4928 -4.3471 -4.3471 -4.3037 -4.3037 -1.1885 -1.1885 -1.1431 -1.1431 -0.9543 -0.9543 -0.9303 -0.9303 -0.5244 -0.5244 -0.4928 -0.4928 -0.2782 -0.2782 -0.2601 -0.2601 -0.2488 -0.2488 -0.2288 -0.2288 1.0796 1.0796 1.2802 1.2802 3.7292 3.7292 4.2489 4.2489 6.7639 6.7639 7.2192 7.2192 7.4065 7.4065 7.7879 7.7879 8.3766 8.3766 8.4839 8.4839 9.9812 9.9812 10.0517 10.0517 12.0751 12.0751 k = 0.5000 0.2887 0.1324 ( 4810 PWs) bands (ev): -19.6518 -19.6518 -19.6463 -19.6463 -6.3885 -6.3885 -6.3717 -6.3717 -4.4971 -4.4971 -4.4936 -4.4936 -4.3481 -4.3481 -4.2998 -4.2998 -1.1913 -1.1913 -1.1405 -1.1405 -0.9556 -0.9556 -0.9288 -0.9288 -0.5262 -0.5262 -0.4909 -0.4909 -0.2793 -0.2793 -0.2590 -0.2590 -0.2497 -0.2497 -0.2274 -0.2274 1.0677 1.0677 1.2920 1.2920 3.7021 3.7021 4.2847 4.2847 6.7401 6.7401 7.2498 7.2498 7.3689 7.3689 7.8002 7.8002 8.3518 8.3518 8.4586 8.4586 10.0497 10.0497 10.1541 10.1541 12.0130 12.0130 k = 0.5000 0.2887 0.1176 ( 4810 PWs) bands (ev): -19.6521 -19.6521 -19.6460 -19.6460 -6.3894 -6.3894 -6.3710 -6.3710 -4.4985 -4.4985 -4.4944 -4.4944 -4.3488 -4.3488 -4.2961 -4.2961 -1.1939 -1.1939 -1.1382 -1.1382 -0.9569 -0.9569 -0.9274 -0.9274 -0.5279 -0.5279 -0.4892 -0.4892 -0.2802 -0.2802 -0.2580 -0.2580 -0.2506 -0.2506 -0.2261 -0.2261 1.0568 1.0568 1.3030 1.3030 3.6775 3.6775 4.3185 4.3185 6.7185 6.7185 7.2778 7.2778 7.3331 7.3331 7.8111 7.8111 8.3295 8.3295 8.4338 8.4338 10.1181 10.1181 10.2641 10.2641 11.9560 11.9560 k = 0.5000 0.2887 0.1029 ( 4818 PWs) bands (ev): -19.6523 -19.6523 -19.6458 -19.6458 -6.3902 -6.3902 -6.3703 -6.3703 -4.4998 -4.4998 -4.4952 -4.4952 -4.3494 -4.3494 -4.2927 -4.2927 -1.1962 -1.1962 -1.1360 -1.1360 -0.9580 -0.9580 -0.9262 -0.9262 -0.5295 -0.5295 -0.4876 -0.4876 -0.2811 -0.2811 -0.2572 -0.2572 -0.2513 -0.2513 -0.2249 -0.2249 1.0470 1.0470 1.3129 1.3129 3.6555 3.6555 4.3496 4.3496 6.6992 6.6992 7.2904 7.2904 7.3123 7.3123 7.8205 7.8205 8.3098 8.3098 8.4104 8.4104 10.1848 10.1848 10.3802 10.3802 11.9047 11.9047 k = 0.5000 0.2887 0.0882 ( 4814 PWs) bands (ev): -19.6525 -19.6525 -19.6456 -19.6456 -6.3910 -6.3910 -6.3698 -6.3698 -4.5011 -4.5011 -4.4959 -4.4959 -4.3498 -4.3498 -4.2896 -4.2896 -1.1983 -1.1983 -1.1341 -1.1341 -0.9590 -0.9590 -0.9250 -0.9250 -0.5308 -0.5308 -0.4862 -0.4862 -0.2819 -0.2819 -0.2565 -0.2565 -0.2519 -0.2519 -0.2238 -0.2238 1.0382 1.0382 1.3217 1.3217 3.6361 3.6361 4.3777 4.3777 6.6822 6.6822 7.2630 7.2630 7.3316 7.3316 7.8286 7.8286 8.2927 8.2927 8.3892 8.3892 10.2479 10.2479 10.5013 10.5013 11.8592 11.8592 k = 0.5000 0.2887 0.0735 ( 4818 PWs) bands (ev): -19.6527 -19.6527 -19.6454 -19.6454 -6.3916 -6.3916 -6.3693 -6.3693 -4.5022 -4.5022 -4.4965 -4.4965 -4.3500 -4.3500 -4.2869 -4.2869 -1.2001 -1.2001 -1.1325 -1.1325 -0.9599 -0.9599 -0.9241 -0.9241 -0.5320 -0.5320 -0.4850 -0.4850 -0.2826 -0.2826 -0.2559 -0.2559 -0.2523 -0.2523 -0.2229 -0.2229 1.0307 1.0307 1.3292 1.3292 3.6196 3.6196 4.4024 4.4024 6.6677 6.6677 7.2351 7.2351 7.3519 7.3519 7.8354 7.8354 8.2781 8.2781 8.3706 8.3706 10.3056 10.3056 10.6264 10.6264 11.8199 11.8199 k = 0.5000 0.2887 0.0588 ( 4812 PWs) bands (ev): -19.6529 -19.6529 -19.6452 -19.6452 -6.3922 -6.3922 -6.3689 -6.3689 -4.5032 -4.5032 -4.4971 -4.4971 -4.3502 -4.3502 -4.2847 -4.2847 -1.2015 -1.2015 -1.1311 -1.1311 -0.9606 -0.9606 -0.9233 -0.9233 -0.5330 -0.5330 -0.4840 -0.4840 -0.2831 -0.2831 -0.2556 -0.2556 -0.2525 -0.2525 -0.2221 -0.2221 1.0244 1.0244 1.3355 1.3355 3.6060 3.6060 4.4232 4.4232 6.6558 6.6558 7.2110 7.2110 7.3693 7.3693 7.8409 7.8409 8.2662 8.2662 8.3550 8.3550 10.3562 10.3562 10.7543 10.7543 11.7859 11.7859 k = 0.5000 0.2887 0.0441 ( 4808 PWs) bands (ev): -19.6530 -19.6530 -19.6451 -19.6451 -6.3926 -6.3926 -6.3686 -6.3686 -4.5040 -4.5040 -4.4975 -4.4975 -4.3503 -4.3503 -4.2829 -4.2829 -1.2027 -1.2027 -1.1301 -1.1301 -0.9611 -0.9611 -0.9226 -0.9226 -0.5337 -0.5337 -0.4832 -0.4832 -0.2835 -0.2835 -0.2555 -0.2555 -0.2526 -0.2526 -0.2215 -0.2215 1.0195 1.0195 1.3405 1.3405 3.5953 3.5953 4.4399 4.4399 6.6464 6.6464 7.1915 7.1915 7.3832 7.3832 7.8452 7.8452 8.2569 8.2569 8.3428 8.3428 10.3978 10.3978 10.8836 10.8836 11.7151 11.7151 k = 0.5000 0.2887 0.0294 ( 4800 PWs) bands (ev): -19.6531 -19.6531 -19.6450 -19.6450 -6.3929 -6.3929 -6.3684 -6.3684 -4.5046 -4.5046 -4.4978 -4.4978 -4.3503 -4.3503 -4.2816 -4.2816 -1.2035 -1.2035 -1.1293 -1.1293 -0.9615 -0.9615 -0.9222 -0.9222 -0.5343 -0.5343 -0.4827 -0.4827 -0.2839 -0.2839 -0.2554 -0.2554 -0.2525 -0.2525 -0.2210 -0.2210 1.0160 1.0160 1.3440 1.3440 3.5876 3.5876 4.4520 4.4520 6.6397 6.6397 7.1772 7.1772 7.3933 7.3933 7.8483 7.8483 8.2502 8.2502 8.3339 8.3339 10.4289 10.4289 11.0119 11.0119 11.5921 11.5921 k = 0.5000 0.2887 0.0147 ( 4794 PWs) bands (ev): -19.6531 -19.6531 -19.6450 -19.6450 -6.3931 -6.3931 -6.3682 -6.3682 -4.5050 -4.5050 -4.4980 -4.4980 -4.3503 -4.3503 -4.2808 -4.2808 -1.2041 -1.2041 -1.1289 -1.1289 -0.9618 -0.9618 -0.9219 -0.9219 -0.5346 -0.5346 -0.4823 -0.4823 -0.2840 -0.2840 -0.2555 -0.2555 -0.2525 -0.2525 -0.2207 -0.2207 1.0138 1.0138 1.3462 1.3462 3.5829 3.5829 4.4593 4.4593 6.6356 6.6356 7.1685 7.1685 7.3994 7.3994 7.8501 7.8501 8.2462 8.2462 8.3286 8.3286 10.4481 10.4481 11.1313 11.1313 11.4747 11.4747 k = 0.5000 0.2887-0.0000 ( 4788 PWs) bands (ev): -19.6531 -19.6531 -19.6450 -19.6450 -6.3931 -6.3931 -6.3682 -6.3682 -4.5051 -4.5051 -4.4981 -4.4981 -4.3503 -4.3503 -4.2805 -4.2805 -1.2042 -1.2042 -1.1287 -1.1287 -0.9619 -0.9619 -0.9218 -0.9218 -0.5347 -0.5347 -0.4822 -0.4822 -0.2841 -0.2841 -0.2555 -0.2555 -0.2525 -0.2525 -0.2206 -0.2206 1.0131 1.0131 1.3469 1.3469 3.5814 3.5814 4.4618 4.4618 6.6343 6.6343 7.1655 7.1655 7.4014 7.4014 7.8507 7.8507 8.2449 8.2449 8.3268 8.3268 10.4546 10.4546 11.1981 11.1981 11.4085 11.4085 k = 0.3333 0.5774-0.0000 ( 4755 PWs) bands (ev): -19.6510 -19.6510 -19.6430 -19.6430 -6.3974 -6.3974 -6.3751 -6.3751 -4.4828 -4.4828 -4.4645 -4.4645 -4.4139 -4.4139 -4.3373 -4.3373 -1.2432 -1.2432 -0.9534 -0.9534 -0.9457 -0.9457 -0.9199 -0.9199 -0.7755 -0.7755 -0.3180 -0.3180 -0.2801 -0.2801 -0.2696 -0.2696 -0.2584 -0.2584 -0.2344 -0.2344 1.2417 1.2417 1.3987 1.3987 3.9386 3.9386 3.9687 3.9687 5.4585 5.4585 6.6541 6.6541 7.6073 7.6073 7.6892 7.6892 9.0827 9.0827 9.1234 9.1234 10.6685 10.6685 10.7508 10.7508 11.3701 11.3701 k = 0.3333 0.5774 0.0147 ( 4779 PWs) bands (ev): -19.6510 -19.6510 -19.6431 -19.6431 -6.3973 -6.3973 -6.3751 -6.3751 -4.4827 -4.4827 -4.4643 -4.4643 -4.4141 -4.4141 -4.3376 -4.3376 -1.2432 -1.2432 -0.9534 -0.9534 -0.9458 -0.9458 -0.9198 -0.9198 -0.7755 -0.7755 -0.3180 -0.3180 -0.2801 -0.2801 -0.2696 -0.2696 -0.2584 -0.2584 -0.2344 -0.2344 1.2417 1.2417 1.3988 1.3988 3.9386 3.9386 3.9687 3.9687 5.4608 5.4608 6.6510 6.6510 7.6077 7.6077 7.6895 7.6895 9.0789 9.0789 9.1197 9.1197 10.6751 10.6751 10.7572 10.7572 11.3720 11.3720 k = 0.3333 0.5774 0.0294 ( 4785 PWs) bands (ev): -19.6510 -19.6510 -19.6431 -19.6431 -6.3971 -6.3971 -6.3752 -6.3752 -4.4823 -4.4823 -4.4635 -4.4635 -4.4145 -4.4145 -4.3385 -4.3385 -1.2432 -1.2432 -0.9535 -0.9535 -0.9460 -0.9460 -0.9196 -0.9196 -0.7755 -0.7755 -0.3180 -0.3180 -0.2801 -0.2801 -0.2697 -0.2697 -0.2584 -0.2584 -0.2343 -0.2343 1.2418 1.2418 1.3989 1.3989 3.9386 3.9386 3.9686 3.9686 5.4674 5.4674 6.6420 6.6420 7.6092 7.6092 7.6903 7.6903 9.0676 9.0676 9.1090 9.1090 10.6945 10.6945 10.7762 10.7762 11.3779 11.3779 k = 0.3333 0.5774 0.0441 ( 4791 PWs) bands (ev): -19.6509 -19.6509 -19.6432 -19.6432 -6.3969 -6.3969 -6.3754 -6.3754 -4.4816 -4.4816 -4.4623 -4.4623 -4.4153 -4.4153 -4.3400 -4.3400 -1.2432 -1.2432 -0.9535 -0.9535 -0.9464 -0.9464 -0.9192 -0.9192 -0.7755 -0.7755 -0.3181 -0.3181 -0.2801 -0.2801 -0.2699 -0.2699 -0.2584 -0.2584 -0.2342 -0.2342 1.2419 1.2419 1.3993 1.3993 3.9386 3.9386 3.9685 3.9685 5.4785 5.4785 6.6270 6.6270 7.6116 7.6116 7.6916 7.6916 9.0497 9.0497 9.0919 9.0919 10.7260 10.7260 10.8072 10.8072 11.3877 11.3877 k = 0.3333 0.5774 0.0588 ( 4788 PWs) bands (ev): -19.6508 -19.6508 -19.6433 -19.6433 -6.3965 -6.3965 -6.3757 -6.3757 -4.4806 -4.4806 -4.4606 -4.4606 -4.4163 -4.4163 -4.3420 -4.3420 -1.2432 -1.2432 -0.9535 -0.9535 -0.9468 -0.9468 -0.9187 -0.9187 -0.7754 -0.7754 -0.3182 -0.3182 -0.2802 -0.2802 -0.2702 -0.2702 -0.2584 -0.2584 -0.2340 -0.2340 1.2421 1.2421 1.3997 1.3997 3.9387 3.9387 3.9684 3.9684 5.4938 5.4938 6.6064 6.6064 7.6148 7.6148 7.6933 7.6933 9.0261 9.0261 9.0695 9.0695 10.7686 10.7686 10.8490 10.8490 11.4014 11.4014 k = 0.3333 0.5774 0.0735 ( 4782 PWs) bands (ev): -19.6506 -19.6506 -19.6435 -19.6435 -6.3960 -6.3960 -6.3761 -6.3761 -4.4793 -4.4793 -4.4584 -4.4584 -4.4176 -4.4176 -4.3446 -4.3446 -1.2432 -1.2432 -0.9535 -0.9535 -0.9473 -0.9473 -0.9182 -0.9182 -0.7754 -0.7754 -0.3183 -0.3183 -0.2803 -0.2803 -0.2704 -0.2704 -0.2584 -0.2584 -0.2338 -0.2338 1.2423 1.2423 1.4002 1.4002 3.9387 3.9387 3.9683 3.9683 5.5134 5.5134 6.5804 6.5804 7.6189 7.6189 7.6956 7.6956 8.9981 8.9981 9.0431 9.0431 10.8210 10.8210 10.9005 10.9005 11.4190 11.4190 k = 0.3333 0.5774 0.0882 ( 4797 PWs) bands (ev): -19.6505 -19.6505 -19.6436 -19.6436 -6.3954 -6.3954 -6.3765 -6.3765 -4.4778 -4.4778 -4.4558 -4.4558 -4.4192 -4.4192 -4.3476 -4.3476 -1.2432 -1.2432 -0.9536 -0.9536 -0.9479 -0.9479 -0.9175 -0.9175 -0.7753 -0.7753 -0.3184 -0.3184 -0.2803 -0.2803 -0.2708 -0.2708 -0.2584 -0.2584 -0.2336 -0.2336 1.2425 1.2425 1.4008 1.4008 3.9388 3.9388 3.9681 3.9681 5.5371 5.5371 6.5494 6.5494 7.6237 7.6237 7.6982 7.6982 8.9668 8.9668 9.0138 9.0138 10.8818 10.8818 10.9604 10.9604 11.4405 11.4405 k = 0.3333 0.5774 0.1029 ( 4791 PWs) bands (ev): -19.6503 -19.6503 -19.6438 -19.6438 -6.3948 -6.3948 -6.3770 -6.3770 -4.4760 -4.4760 -4.4527 -4.4527 -4.4210 -4.4210 -4.3512 -4.3512 -1.2432 -1.2432 -0.9536 -0.9536 -0.9485 -0.9485 -0.9169 -0.9169 -0.7753 -0.7753 -0.3186 -0.3186 -0.2804 -0.2804 -0.2711 -0.2711 -0.2585 -0.2585 -0.2333 -0.2333 1.2428 1.2428 1.4014 1.4014 3.9389 3.9389 3.9679 3.9679 5.5648 5.5648 6.5138 6.5138 7.6292 7.6292 7.7011 7.7011 8.9337 8.9337 8.9830 8.9830 10.9499 10.9499 11.0274 11.0274 11.4658 11.4658 k = 0.3333 0.5774 0.1176 ( 4782 PWs) bands (ev): -19.6500 -19.6500 -19.6441 -19.6441 -6.3940 -6.3940 -6.3776 -6.3776 -4.4740 -4.4740 -4.4492 -4.4492 -4.4231 -4.4231 -4.3552 -4.3552 -1.2432 -1.2432 -0.9537 -0.9537 -0.9491 -0.9491 -0.9162 -0.9162 -0.7752 -0.7752 -0.3187 -0.3187 -0.2805 -0.2805 -0.2714 -0.2714 -0.2585 -0.2585 -0.2331 -0.2331 1.2430 1.2430 1.4021 1.4021 3.9389 3.9389 3.9677 3.9677 5.5963 5.5963 6.4739 6.4739 7.6351 7.6351 7.7043 7.7043 8.9000 8.9000 8.9519 8.9519 11.0239 11.0239 11.1004 11.1004 11.4948 11.4948 k = 0.3333 0.5774 0.1324 ( 4794 PWs) bands (ev): -19.6498 -19.6498 -19.6443 -19.6443 -6.3932 -6.3932 -6.3782 -6.3782 -4.4718 -4.4718 -4.4453 -4.4453 -4.4254 -4.4254 -4.3597 -4.3597 -1.2432 -1.2432 -0.9537 -0.9537 -0.9497 -0.9497 -0.9155 -0.9155 -0.7751 -0.7751 -0.3189 -0.3189 -0.2806 -0.2806 -0.2718 -0.2718 -0.2585 -0.2585 -0.2328 -0.2328 1.2433 1.2433 1.4028 1.4028 3.9390 3.9390 3.9675 3.9675 5.6313 5.6313 6.4304 6.4304 7.6413 7.6413 7.7076 7.7076 8.8667 8.8667 8.9214 8.9214 11.1029 11.1029 11.1783 11.1783 11.5277 11.5277 k = 0.3333 0.5774 0.1471 ( 4803 PWs) bands (ev): -19.6495 -19.6495 -19.6446 -19.6446 -6.3924 -6.3924 -6.3789 -6.3789 -4.4694 -4.4694 -4.4411 -4.4411 -4.4279 -4.4279 -4.3644 -4.3644 -1.2432 -1.2432 -0.9538 -0.9538 -0.9503 -0.9503 -0.9149 -0.9149 -0.7751 -0.7751 -0.3190 -0.3190 -0.2807 -0.2807 -0.2721 -0.2721 -0.2585 -0.2585 -0.2325 -0.2325 1.2436 1.2436 1.4035 1.4035 3.9391 3.9391 3.9673 3.9673 5.6698 5.6698 6.3837 6.3837 7.6476 7.6476 7.7109 7.7109 8.8348 8.8348 8.8924 8.8924 11.1858 11.1858 11.2600 11.2600 11.5642 11.5642 k = 0.3333 0.5774 0.1618 ( 4803 PWs) bands (ev): -19.6492 -19.6492 -19.6449 -19.6449 -6.3915 -6.3915 -6.3797 -6.3797 -4.4668 -4.4668 -4.4365 -4.4365 -4.4305 -4.4305 -4.3695 -4.3695 -1.2432 -1.2432 -0.9538 -0.9538 -0.9508 -0.9508 -0.9143 -0.9143 -0.7750 -0.7750 -0.3192 -0.3192 -0.2808 -0.2808 -0.2725 -0.2725 -0.2586 -0.2586 -0.2323 -0.2323 1.2438 1.2438 1.4042 1.4042 3.9392 3.9392 3.9671 3.9671 5.7114 5.7114 6.3344 6.3344 7.6539 7.6539 7.7142 7.7142 8.8052 8.8052 8.8657 8.8657 11.2716 11.2716 11.3448 11.3448 11.6043 11.6043 k = 0.3333 0.5774 0.1765 ( 4803 PWs) bands (ev): -19.6488 -19.6488 -19.6453 -19.6453 -6.3905 -6.3905 -6.3805 -6.3805 -4.4641 -4.4641 -4.4333 -4.4333 -4.4316 -4.4316 -4.3749 -4.3749 -1.2432 -1.2432 -0.9539 -0.9539 -0.9513 -0.9513 -0.9138 -0.9138 -0.7749 -0.7749 -0.3193 -0.3193 -0.2809 -0.2809 -0.2727 -0.2727 -0.2586 -0.2586 -0.2321 -0.2321 1.2441 1.2441 1.4048 1.4048 3.9393 3.9393 3.9670 3.9670 5.7558 5.7558 6.2829 6.2829 7.6597 7.6597 7.7173 7.7173 8.7787 8.7787 8.8421 8.8421 11.3594 11.3594 11.4317 11.4317 11.6480 11.6480 k = 0.3333 0.5774 0.1912 ( 4800 PWs) bands (ev): -19.6485 -19.6485 -19.6456 -19.6456 -6.3895 -6.3895 -6.3813 -6.3813 -4.4612 -4.4612 -4.4362 -4.4362 -4.4264 -4.4264 -4.3804 -4.3804 -1.2432 -1.2432 -0.9539 -0.9539 -0.9517 -0.9517 -0.9134 -0.9134 -0.7749 -0.7749 -0.3194 -0.3194 -0.2810 -0.2810 -0.2730 -0.2730 -0.2586 -0.2586 -0.2319 -0.2319 1.2443 1.2443 1.4053 1.4053 3.9393 3.9393 3.9668 3.9668 5.8028 5.8028 6.2299 6.2299 7.6650 7.6650 7.7200 7.7200 8.7560 8.7560 8.8219 8.8219 11.4479 11.4479 11.5197 11.5197 11.6951 11.6951 k = 0.3333 0.5774 0.2059 ( 4803 PWs) bands (ev): -19.6481 -19.6481 -19.6460 -19.6460 -6.3885 -6.3885 -6.3822 -6.3822 -4.4582 -4.4582 -4.4393 -4.4393 -4.4210 -4.4210 -4.3862 -4.3862 -1.2431 -1.2431 -0.9539 -0.9539 -0.9520 -0.9520 -0.9130 -0.9130 -0.7748 -0.7748 -0.3195 -0.3195 -0.2810 -0.2810 -0.2732 -0.2732 -0.2586 -0.2586 -0.2318 -0.2318 1.2444 1.2444 1.4057 1.4057 3.9394 3.9394 3.9667 3.9667 5.8520 5.8520 6.1758 6.1758 7.6694 7.6694 7.7223 7.7223 8.7378 8.7378 8.8058 8.8058 11.5352 11.5352 11.6077 11.6077 11.7454 11.7454 k = 0.3333 0.5774 0.2206 ( 4788 PWs) bands (ev): -19.6478 -19.6478 -19.6463 -19.6463 -6.3876 -6.3876 -6.3831 -6.3831 -4.4552 -4.4552 -4.4423 -4.4423 -4.4154 -4.4154 -4.3920 -4.3920 -1.2431 -1.2431 -0.9540 -0.9540 -0.9522 -0.9522 -0.9128 -0.9128 -0.7748 -0.7748 -0.3196 -0.3196 -0.2811 -0.2811 -0.2733 -0.2733 -0.2586 -0.2586 -0.2317 -0.2317 1.2446 1.2446 1.4060 1.4060 3.9394 3.9394 3.9666 3.9666 5.9029 5.9029 6.1212 6.1212 7.6727 7.6727 7.7240 7.7240 8.7244 8.7244 8.7940 8.7940 11.6176 11.6176 11.6933 11.6933 11.7987 11.7987 k = 0.3333 0.5774 0.2353 ( 4794 PWs) bands (ev): -19.6474 -19.6474 -19.6467 -19.6467 -6.3867 -6.3867 -6.3839 -6.3839 -4.4521 -4.4521 -4.4454 -4.4454 -4.4097 -4.4097 -4.3978 -4.3978 -1.2431 -1.2431 -0.9540 -0.9540 -0.9523 -0.9523 -0.9126 -0.9126 -0.7748 -0.7748 -0.3196 -0.3196 -0.2811 -0.2811 -0.2734 -0.2734 -0.2587 -0.2587 -0.2316 -0.2316 1.2446 1.2446 1.4062 1.4062 3.9394 3.9394 3.9665 3.9665 5.9549 5.9549 6.0670 6.0670 7.6748 7.6748 7.7251 7.7251 8.7162 8.7162 8.7868 8.7868 11.6853 11.6853 11.7712 11.7712 11.8526 11.8526 k = 0.3333 0.5774 0.2500 ( 4788 PWs) bands (ev): -19.6471 -19.6471 -19.6470 -19.6470 -6.3862 -6.3862 -6.3844 -6.3844 -4.4498 -4.4498 -4.4477 -4.4477 -4.4047 -4.4047 -4.4028 -4.4028 -1.2431 -1.2431 -0.9540 -0.9540 -0.9524 -0.9524 -0.9126 -0.9126 -0.7748 -0.7748 -0.3196 -0.3196 -0.2811 -0.2811 -0.2734 -0.2734 -0.2587 -0.2587 -0.2316 -0.2316 1.2447 1.2447 1.4063 1.4063 3.9395 3.9395 3.9665 3.9665 5.9967 5.9967 6.0244 6.0244 7.6755 7.6755 7.7254 7.7254 8.7134 8.7134 8.7844 8.7844 11.7148 11.7148 11.8147 11.8147 11.8933 11.8949 Writing output data file BaCdGe.save init_run : 0.78s CPU 1.12s WALL ( 1 calls) electrons : 277.79s CPU 281.64s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.14s WALL ( 1 calls) Called by electrons: c_bands : 277.78s CPU 281.63s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.24s CPU 0.42s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.07s WALL ( 274 calls) cegterg : 263.49s CPU 266.91s WALL ( 808 calls) Called by sum_band: Called by *egterg: h_psi : 116.46s CPU 118.39s WALL ( 14274 calls) s_psi : 9.91s CPU 9.92s WALL ( 14274 calls) g_psi : 0.42s CPU 0.39s WALL ( 13192 calls) cdiaghg : 112.41s CPU 113.99s WALL ( 13466 calls) cegterg:over : 11.84s CPU 11.81s WALL ( 13192 calls) cegterg:upda : 12.38s CPU 12.52s WALL ( 13192 calls) cegterg:last : 4.73s CPU 4.71s WALL ( 1628 calls) cdiaghg:chol : 6.27s CPU 6.54s WALL ( 13466 calls) cdiaghg:inve : 4.34s CPU 4.45s WALL ( 13466 calls) cdiaghg:para : 7.30s CPU 7.26s WALL ( 26932 calls) Called by h_psi: h_psi:vloc : 94.73s CPU 96.35s WALL ( 14274 calls) h_psi:vnl : 21.31s CPU 21.58s WALL ( 14274 calls) add_vuspsi : 11.44s CPU 11.44s WALL ( 14274 calls) General routines calbec : 9.83s CPU 10.11s WALL ( 14274 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 79.88s CPU 81.08s WALL ( 1138416 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.22s WALL ( 548 calls) Parallel routines fft_scatter : 33.31s CPU 33.63s WALL ( 1138439 calls) PWSCF : 4m55.96s CPU 5m 9.68s WALL This run was terminated on: 14: 1:17 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=