Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 20:33: 6 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: ./CaAsAu.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 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 55 23 7 3617 1026 161 Max 56 24 8 3620 1044 168 Sum 1993 859 253 130239 37223 5891 bravais-lattice index = 14 lattice parameter (alat) = 8.2638 a.u. unit-cell volume = 884.5798 (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 = 46.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.263772 celldm(2)= 1.000000 celldm(3)= 1.809970 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.809970 ) 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 0.552495 ) PseudoPot. # 1 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 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 Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef 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 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 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 As 5.00 74.92160 As( 1.00) Ca 10.00 40.07800 Ca( 1.00) Au 11.00 196.96660 Au( 1.00) 24 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9049851 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9049851 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9049851 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9049851 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9049851 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9049851 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9049851 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9049851 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9049851 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9049851 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9049851 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9049851 ) 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= 297 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 2) = ( 0.0119048 0.0068732 -0.0000000), wk = 0.0033670 k( 3) = ( 0.0238095 0.0137464 -0.0000000), wk = 0.0033670 k( 4) = ( 0.0357143 0.0206197 -0.0000000), wk = 0.0033670 k( 5) = ( 0.0476191 0.0274929 -0.0000000), wk = 0.0033670 k( 6) = ( 0.0595238 0.0343661 -0.0000000), wk = 0.0033670 k( 7) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0033670 k( 8) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0033670 k( 9) = ( 0.0952381 0.0549857 -0.0000000), wk = 0.0033670 k( 10) = ( 0.1071429 0.0618590 -0.0000000), wk = 0.0033670 k( 11) = ( 0.1190476 0.0687322 -0.0000000), wk = 0.0033670 k( 12) = ( 0.1309524 0.0756054 -0.0000000), wk = 0.0033670 k( 13) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0033670 k( 14) = ( 0.1547619 0.0893518 -0.0000000), wk = 0.0033670 k( 15) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0033670 k( 16) = ( 0.1785714 0.1030983 -0.0000000), wk = 0.0033670 k( 17) = ( 0.1904762 0.1099715 -0.0000000), wk = 0.0033670 k( 18) = ( 0.2023810 0.1168447 -0.0000000), wk = 0.0033670 k( 19) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0033670 k( 20) = ( 0.2261905 0.1305911 -0.0000000), wk = 0.0033670 k( 21) = ( 0.2380952 0.1374644 -0.0000000), wk = 0.0033670 k( 22) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0033670 k( 23) = ( 0.2619048 0.1512108 -0.0000000), wk = 0.0033670 k( 24) = ( 0.2738095 0.1580840 -0.0000000), wk = 0.0033670 k( 25) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0033670 k( 26) = ( 0.2976190 0.1718304 -0.0000000), wk = 0.0033670 k( 27) = ( 0.3095238 0.1787037 -0.0000000), wk = 0.0033670 k( 28) = ( 0.3214286 0.1855769 -0.0000000), wk = 0.0033670 k( 29) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0033670 k( 30) = ( 0.3452381 0.1993233 -0.0000000), wk = 0.0033670 k( 31) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0033670 k( 32) = ( 0.3690476 0.2130697 -0.0000000), wk = 0.0033670 k( 33) = ( 0.3809524 0.2199430 -0.0000000), wk = 0.0033670 k( 34) = ( 0.3928571 0.2268162 -0.0000000), wk = 0.0033670 k( 35) = ( 0.4047619 0.2336894 -0.0000000), wk = 0.0033670 k( 36) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0033670 k( 37) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0033670 k( 38) = ( 0.4404762 0.2543090 -0.0000000), wk = 0.0033670 k( 39) = ( 0.4523810 0.2611823 -0.0000000), wk = 0.0033670 k( 40) = ( 0.4642857 0.2680555 -0.0000000), wk = 0.0033670 k( 41) = ( 0.4761905 0.2749287 -0.0000000), wk = 0.0033670 k( 42) = ( 0.4880952 0.2818019 -0.0000000), wk = 0.0033670 k( 43) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033670 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033670 k( 45) = ( 0.4930556 0.3007033 -0.0000000), wk = 0.0033670 k( 46) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0033670 k( 47) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0033670 k( 48) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0033670 k( 49) = ( 0.4652778 0.3488158 -0.0000000), wk = 0.0033670 k( 50) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0033670 k( 51) = ( 0.4513889 0.3728720 -0.0000000), wk = 0.0033670 k( 52) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0033670 k( 53) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0033670 k( 54) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0033670 k( 55) = ( 0.4236111 0.4209846 -0.0000000), wk = 0.0033670 k( 56) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0033670 k( 57) = ( 0.4097222 0.4450408 -0.0000000), wk = 0.0033670 k( 58) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0033670 k( 59) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0033670 k( 60) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0033670 k( 61) = ( 0.3819444 0.4931534 -0.0000000), wk = 0.0033670 k( 62) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0033670 k( 63) = ( 0.3680556 0.5172096 -0.0000000), wk = 0.0033670 k( 64) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0033670 k( 65) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0033670 k( 66) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0033670 k( 67) = ( 0.3402778 0.5653221 -0.0000000), wk = 0.0033670 k( 68) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033670 k( 69) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033670 k( 70) = ( 0.3263889 0.5653221 -0.0000000), wk = 0.0033670 k( 71) = ( 0.3194444 0.5532940 -0.0000000), wk = 0.0033670 k( 72) = ( 0.3125000 0.5412659 -0.0000000), wk = 0.0033670 k( 73) = ( 0.3055556 0.5292378 -0.0000000), wk = 0.0033670 k( 74) = ( 0.2986111 0.5172096 -0.0000000), wk = 0.0033670 k( 75) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0033670 k( 76) = ( 0.2847222 0.4931534 -0.0000000), wk = 0.0033670 k( 77) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0033670 k( 78) = ( 0.2708333 0.4690971 -0.0000000), wk = 0.0033670 k( 79) = ( 0.2638889 0.4570690 -0.0000000), wk = 0.0033670 k( 80) = ( 0.2569444 0.4450408 -0.0000000), wk = 0.0033670 k( 81) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0033670 k( 82) = ( 0.2430556 0.4209846 -0.0000000), wk = 0.0033670 k( 83) = ( 0.2361111 0.4089564 -0.0000000), wk = 0.0033670 k( 84) = ( 0.2291667 0.3969283 -0.0000000), wk = 0.0033670 k( 85) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0033670 k( 86) = ( 0.2152778 0.3728721 -0.0000000), wk = 0.0033670 k( 87) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0033670 k( 88) = ( 0.2013889 0.3488158 -0.0000000), wk = 0.0033670 k( 89) = ( 0.1944444 0.3367876 -0.0000000), wk = 0.0033670 k( 90) = ( 0.1875000 0.3247595 -0.0000000), wk = 0.0033670 k( 91) = ( 0.1805556 0.3127314 -0.0000000), wk = 0.0033670 k( 92) = ( 0.1736111 0.3007033 -0.0000000), wk = 0.0033670 k( 93) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0033670 k( 94) = ( 0.1597222 0.2766470 -0.0000000), wk = 0.0033670 k( 95) = ( 0.1527778 0.2646189 -0.0000000), wk = 0.0033670 k( 96) = ( 0.1458333 0.2525907 -0.0000000), wk = 0.0033670 k( 97) = ( 0.1388889 0.2405626 -0.0000000), wk = 0.0033670 k( 98) = ( 0.1319444 0.2285345 -0.0000000), wk = 0.0033670 k( 99) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0033670 k( 100) = ( 0.1180556 0.2044782 -0.0000000), wk = 0.0033670 k( 101) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0033670 k( 102) = ( 0.1041667 0.1804220 -0.0000000), wk = 0.0033670 k( 103) = ( 0.0972222 0.1683938 -0.0000000), wk = 0.0033670 k( 104) = ( 0.0902778 0.1563657 -0.0000000), wk = 0.0033670 k( 105) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0033670 k( 106) = ( 0.0763889 0.1323094 -0.0000000), wk = 0.0033670 k( 107) = ( 0.0694444 0.1202813 -0.0000000), wk = 0.0033670 k( 108) = ( 0.0625000 0.1082532 -0.0000000), wk = 0.0033670 k( 109) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0033670 k( 110) = ( 0.0486111 0.0841969 -0.0000000), wk = 0.0033670 k( 111) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0033670 k( 112) = ( 0.0347222 0.0601406 -0.0000000), wk = 0.0033670 k( 113) = ( 0.0277778 0.0481125 -0.0000000), wk = 0.0033670 k( 114) = ( 0.0208333 0.0360844 -0.0000000), wk = 0.0033670 k( 115) = ( 0.0138889 0.0240563 -0.0000000), wk = 0.0033670 k( 116) = ( 0.0069444 0.0120281 -0.0000000), wk = 0.0033670 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 119) = ( 0.0000000 0.0000000 0.0138124), wk = 0.0033670 k( 120) = ( 0.0000000 0.0000000 0.0276248), wk = 0.0033670 k( 121) = ( 0.0000000 0.0000000 0.0414371), wk = 0.0033670 k( 122) = ( 0.0000000 0.0000000 0.0552495), wk = 0.0033670 k( 123) = ( 0.0000000 0.0000000 0.0690619), wk = 0.0033670 k( 124) = ( 0.0000000 0.0000000 0.0828743), wk = 0.0033670 k( 125) = ( 0.0000000 0.0000000 0.0966867), wk = 0.0033670 k( 126) = ( 0.0000000 0.0000000 0.1104991), wk = 0.0033670 k( 127) = ( 0.0000000 0.0000000 0.1243114), wk = 0.0033670 k( 128) = ( 0.0000000 0.0000000 0.1381238), wk = 0.0033670 k( 129) = ( 0.0000000 0.0000000 0.1519362), wk = 0.0033670 k( 130) = ( 0.0000000 0.0000000 0.1657486), wk = 0.0033670 k( 131) = ( 0.0000000 0.0000000 0.1795610), wk = 0.0033670 k( 132) = ( 0.0000000 0.0000000 0.1933733), wk = 0.0033670 k( 133) = ( 0.0000000 0.0000000 0.2071857), wk = 0.0033670 k( 134) = ( 0.0000000 0.0000000 0.2209981), wk = 0.0033670 k( 135) = ( 0.0000000 0.0000000 0.2348105), wk = 0.0033670 k( 136) = ( 0.0000000 0.0000000 0.2486229), wk = 0.0033670 k( 137) = ( 0.0000000 0.0000000 0.2624352), wk = 0.0033670 k( 138) = ( 0.0000000 0.0000000 0.2762476), wk = 0.0033670 k( 139) = ( 0.0000000 0.0000000 0.2762476), wk = 0.0033670 k( 140) = ( 0.0119048 0.0068732 0.2762476), wk = 0.0033670 k( 141) = ( 0.0238095 0.0137464 0.2762476), wk = 0.0033670 k( 142) = ( 0.0357143 0.0206197 0.2762476), wk = 0.0033670 k( 143) = ( 0.0476191 0.0274929 0.2762476), wk = 0.0033670 k( 144) = ( 0.0595238 0.0343661 0.2762476), wk = 0.0033670 k( 145) = ( 0.0714286 0.0412393 0.2762476), wk = 0.0033670 k( 146) = ( 0.0833333 0.0481125 0.2762476), wk = 0.0033670 k( 147) = ( 0.0952381 0.0549857 0.2762476), wk = 0.0033670 k( 148) = ( 0.1071429 0.0618590 0.2762476), wk = 0.0033670 k( 149) = ( 0.1190476 0.0687322 0.2762476), wk = 0.0033670 k( 150) = ( 0.1309524 0.0756054 0.2762476), wk = 0.0033670 k( 151) = ( 0.1428571 0.0824786 0.2762476), wk = 0.0033670 k( 152) = ( 0.1547619 0.0893518 0.2762476), wk = 0.0033670 k( 153) = ( 0.1666667 0.0962250 0.2762476), wk = 0.0033670 k( 154) = ( 0.1785714 0.1030983 0.2762476), wk = 0.0033670 k( 155) = ( 0.1904762 0.1099715 0.2762476), wk = 0.0033670 k( 156) = ( 0.2023810 0.1168447 0.2762476), wk = 0.0033670 k( 157) = ( 0.2142857 0.1237179 0.2762476), wk = 0.0033670 k( 158) = ( 0.2261905 0.1305911 0.2762476), wk = 0.0033670 k( 159) = ( 0.2380952 0.1374644 0.2762476), wk = 0.0033670 k( 160) = ( 0.2500000 0.1443376 0.2762476), wk = 0.0033670 k( 161) = ( 0.2619048 0.1512108 0.2762476), wk = 0.0033670 k( 162) = ( 0.2738095 0.1580840 0.2762476), wk = 0.0033670 k( 163) = ( 0.2857143 0.1649572 0.2762476), wk = 0.0033670 k( 164) = ( 0.2976190 0.1718304 0.2762476), wk = 0.0033670 k( 165) = ( 0.3095238 0.1787037 0.2762476), wk = 0.0033670 k( 166) = ( 0.3214286 0.1855769 0.2762476), wk = 0.0033670 k( 167) = ( 0.3333333 0.1924501 0.2762476), wk = 0.0033670 k( 168) = ( 0.3452381 0.1993233 0.2762476), wk = 0.0033670 k( 169) = ( 0.3571429 0.2061965 0.2762476), wk = 0.0033670 k( 170) = ( 0.3690476 0.2130697 0.2762476), wk = 0.0033670 k( 171) = ( 0.3809524 0.2199430 0.2762476), wk = 0.0033670 k( 172) = ( 0.3928571 0.2268162 0.2762476), wk = 0.0033670 k( 173) = ( 0.4047619 0.2336894 0.2762476), wk = 0.0033670 k( 174) = ( 0.4166667 0.2405626 0.2762476), wk = 0.0033670 k( 175) = ( 0.4285714 0.2474358 0.2762476), wk = 0.0033670 k( 176) = ( 0.4404762 0.2543090 0.2762476), wk = 0.0033670 k( 177) = ( 0.4523810 0.2611823 0.2762476), wk = 0.0033670 k( 178) = ( 0.4642857 0.2680555 0.2762476), wk = 0.0033670 k( 179) = ( 0.4761905 0.2749287 0.2762476), wk = 0.0033670 k( 180) = ( 0.4880952 0.2818019 0.2762476), wk = 0.0033670 k( 181) = ( 0.5000000 0.2886751 0.2762476), wk = 0.0033670 k( 182) = ( 0.5000000 0.2886751 0.2762476), wk = 0.0033670 k( 183) = ( 0.4930556 0.3007033 0.2762476), wk = 0.0033670 k( 184) = ( 0.4861111 0.3127314 0.2762476), wk = 0.0033670 k( 185) = ( 0.4791667 0.3247595 0.2762476), wk = 0.0033670 k( 186) = ( 0.4722222 0.3367877 0.2762476), wk = 0.0033670 k( 187) = ( 0.4652778 0.3488158 0.2762476), wk = 0.0033670 k( 188) = ( 0.4583333 0.3608439 0.2762476), wk = 0.0033670 k( 189) = ( 0.4513889 0.3728720 0.2762476), wk = 0.0033670 k( 190) = ( 0.4444444 0.3849002 0.2762476), wk = 0.0033670 k( 191) = ( 0.4375000 0.3969283 0.2762476), wk = 0.0033670 k( 192) = ( 0.4305556 0.4089564 0.2762476), wk = 0.0033670 k( 193) = ( 0.4236111 0.4209846 0.2762476), wk = 0.0033670 k( 194) = ( 0.4166667 0.4330127 0.2762476), wk = 0.0033670 k( 195) = ( 0.4097222 0.4450408 0.2762476), wk = 0.0033670 k( 196) = ( 0.4027778 0.4570690 0.2762476), wk = 0.0033670 k( 197) = ( 0.3958333 0.4690971 0.2762476), wk = 0.0033670 k( 198) = ( 0.3888889 0.4811252 0.2762476), wk = 0.0033670 k( 199) = ( 0.3819444 0.4931534 0.2762476), wk = 0.0033670 k( 200) = ( 0.3750000 0.5051815 0.2762476), wk = 0.0033670 k( 201) = ( 0.3680556 0.5172096 0.2762476), wk = 0.0033670 k( 202) = ( 0.3611111 0.5292377 0.2762476), wk = 0.0033670 k( 203) = ( 0.3541667 0.5412659 0.2762476), wk = 0.0033670 k( 204) = ( 0.3472222 0.5532940 0.2762476), wk = 0.0033670 k( 205) = ( 0.3402778 0.5653221 0.2762476), wk = 0.0033670 k( 206) = ( 0.3333333 0.5773503 0.2762476), wk = 0.0033670 k( 207) = ( 0.3333333 0.5773503 0.2762476), wk = 0.0033670 k( 208) = ( 0.3263889 0.5653221 0.2762476), wk = 0.0033670 k( 209) = ( 0.3194444 0.5532940 0.2762476), wk = 0.0033670 k( 210) = ( 0.3125000 0.5412659 0.2762476), wk = 0.0033670 k( 211) = ( 0.3055556 0.5292378 0.2762476), wk = 0.0033670 k( 212) = ( 0.2986111 0.5172096 0.2762476), wk = 0.0033670 k( 213) = ( 0.2916667 0.5051815 0.2762476), wk = 0.0033670 k( 214) = ( 0.2847222 0.4931534 0.2762476), wk = 0.0033670 k( 215) = ( 0.2777778 0.4811252 0.2762476), wk = 0.0033670 k( 216) = ( 0.2708333 0.4690971 0.2762476), wk = 0.0033670 k( 217) = ( 0.2638889 0.4570690 0.2762476), wk = 0.0033670 k( 218) = ( 0.2569444 0.4450408 0.2762476), wk = 0.0033670 k( 219) = ( 0.2500000 0.4330127 0.2762476), wk = 0.0033670 k( 220) = ( 0.2430556 0.4209846 0.2762476), wk = 0.0033670 k( 221) = ( 0.2361111 0.4089564 0.2762476), wk = 0.0033670 k( 222) = ( 0.2291667 0.3969283 0.2762476), wk = 0.0033670 k( 223) = ( 0.2222222 0.3849002 0.2762476), wk = 0.0033670 k( 224) = ( 0.2152778 0.3728721 0.2762476), wk = 0.0033670 k( 225) = ( 0.2083333 0.3608439 0.2762476), wk = 0.0033670 k( 226) = ( 0.2013889 0.3488158 0.2762476), wk = 0.0033670 k( 227) = ( 0.1944444 0.3367876 0.2762476), wk = 0.0033670 k( 228) = ( 0.1875000 0.3247595 0.2762476), wk = 0.0033670 k( 229) = ( 0.1805556 0.3127314 0.2762476), wk = 0.0033670 k( 230) = ( 0.1736111 0.3007033 0.2762476), wk = 0.0033670 k( 231) = ( 0.1666667 0.2886751 0.2762476), wk = 0.0033670 k( 232) = ( 0.1597222 0.2766470 0.2762476), wk = 0.0033670 k( 233) = ( 0.1527778 0.2646189 0.2762476), wk = 0.0033670 k( 234) = ( 0.1458333 0.2525907 0.2762476), wk = 0.0033670 k( 235) = ( 0.1388889 0.2405626 0.2762476), wk = 0.0033670 k( 236) = ( 0.1319444 0.2285345 0.2762476), wk = 0.0033670 k( 237) = ( 0.1250000 0.2165064 0.2762476), wk = 0.0033670 k( 238) = ( 0.1180556 0.2044782 0.2762476), wk = 0.0033670 k( 239) = ( 0.1111111 0.1924501 0.2762476), wk = 0.0033670 k( 240) = ( 0.1041667 0.1804220 0.2762476), wk = 0.0033670 k( 241) = ( 0.0972222 0.1683938 0.2762476), wk = 0.0033670 k( 242) = ( 0.0902778 0.1563657 0.2762476), wk = 0.0033670 k( 243) = ( 0.0833333 0.1443376 0.2762476), wk = 0.0033670 k( 244) = ( 0.0763889 0.1323094 0.2762476), wk = 0.0033670 k( 245) = ( 0.0694444 0.1202813 0.2762476), wk = 0.0033670 k( 246) = ( 0.0625000 0.1082532 0.2762476), wk = 0.0033670 k( 247) = ( 0.0555556 0.0962251 0.2762476), wk = 0.0033670 k( 248) = ( 0.0486111 0.0841969 0.2762476), wk = 0.0033670 k( 249) = ( 0.0416667 0.0721688 0.2762476), wk = 0.0033670 k( 250) = ( 0.0347222 0.0601406 0.2762476), wk = 0.0033670 k( 251) = ( 0.0277778 0.0481125 0.2762476), wk = 0.0033670 k( 252) = ( 0.0208333 0.0360844 0.2762476), wk = 0.0033670 k( 253) = ( 0.0138889 0.0240563 0.2762476), wk = 0.0033670 k( 254) = ( 0.0069444 0.0120281 0.2762476), wk = 0.0033670 k( 255) = ( 0.0000000 0.0000000 0.2762476), wk = 0.0033670 k( 256) = ( 0.5000000 0.2886751 0.2762476), wk = 0.0033670 k( 257) = ( 0.5000000 0.2886751 0.2624352), wk = 0.0033670 k( 258) = ( 0.5000000 0.2886751 0.2486229), wk = 0.0033670 k( 259) = ( 0.5000000 0.2886751 0.2348105), wk = 0.0033670 k( 260) = ( 0.5000000 0.2886751 0.2209981), wk = 0.0033670 k( 261) = ( 0.5000000 0.2886751 0.2071857), wk = 0.0033670 k( 262) = ( 0.5000000 0.2886751 0.1933733), wk = 0.0033670 k( 263) = ( 0.5000000 0.2886751 0.1795610), wk = 0.0033670 k( 264) = ( 0.5000000 0.2886751 0.1657486), wk = 0.0033670 k( 265) = ( 0.5000000 0.2886751 0.1519362), wk = 0.0033670 k( 266) = ( 0.5000000 0.2886751 0.1381238), wk = 0.0033670 k( 267) = ( 0.5000000 0.2886751 0.1243114), wk = 0.0033670 k( 268) = ( 0.5000000 0.2886751 0.1104991), wk = 0.0033670 k( 269) = ( 0.5000000 0.2886751 0.0966867), wk = 0.0033670 k( 270) = ( 0.5000000 0.2886751 0.0828743), wk = 0.0033670 k( 271) = ( 0.5000000 0.2886751 0.0690619), wk = 0.0033670 k( 272) = ( 0.5000000 0.2886751 0.0552495), wk = 0.0033670 k( 273) = ( 0.5000000 0.2886751 0.0414371), wk = 0.0033670 k( 274) = ( 0.5000000 0.2886751 0.0276248), wk = 0.0033670 k( 275) = ( 0.5000000 0.2886751 0.0138124), wk = 0.0033670 k( 276) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033670 k( 277) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033670 k( 278) = ( 0.3333333 0.5773503 0.0138124), wk = 0.0033670 k( 279) = ( 0.3333333 0.5773503 0.0276248), wk = 0.0033670 k( 280) = ( 0.3333333 0.5773503 0.0414371), wk = 0.0033670 k( 281) = ( 0.3333333 0.5773503 0.0552495), wk = 0.0033670 k( 282) = ( 0.3333333 0.5773503 0.0690619), wk = 0.0033670 k( 283) = ( 0.3333333 0.5773503 0.0828743), wk = 0.0033670 k( 284) = ( 0.3333333 0.5773503 0.0966867), wk = 0.0033670 k( 285) = ( 0.3333333 0.5773503 0.1104991), wk = 0.0033670 k( 286) = ( 0.3333333 0.5773503 0.1243114), wk = 0.0033670 k( 287) = ( 0.3333333 0.5773503 0.1381238), wk = 0.0033670 k( 288) = ( 0.3333333 0.5773503 0.1519362), wk = 0.0033670 k( 289) = ( 0.3333333 0.5773503 0.1657486), wk = 0.0033670 k( 290) = ( 0.3333333 0.5773503 0.1795610), wk = 0.0033670 k( 291) = ( 0.3333333 0.5773503 0.1933733), wk = 0.0033670 k( 292) = ( 0.3333333 0.5773503 0.2071857), wk = 0.0033670 k( 293) = ( 0.3333333 0.5773503 0.2209981), wk = 0.0033670 k( 294) = ( 0.3333333 0.5773503 0.2348105), wk = 0.0033670 k( 295) = ( 0.3333333 0.5773503 0.2486229), wk = 0.0033670 k( 296) = ( 0.3333333 0.5773503 0.2624352), wk = 0.0033670 k( 297) = ( 0.3333333 0.5773503 0.2762476), wk = 0.0033670 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 2) = ( 0.0119048 -0.0000000 -0.0000000), wk = 0.0033670 k( 3) = ( 0.0238095 -0.0000000 -0.0000000), wk = 0.0033670 k( 4) = ( 0.0357143 -0.0000000 -0.0000000), wk = 0.0033670 k( 5) = ( 0.0476191 -0.0000000 -0.0000000), wk = 0.0033670 k( 6) = ( 0.0595238 -0.0000000 -0.0000000), wk = 0.0033670 k( 7) = ( 0.0714286 -0.0000000 -0.0000000), wk = 0.0033670 k( 8) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0033670 k( 9) = ( 0.0952381 -0.0000000 -0.0000000), wk = 0.0033670 k( 10) = ( 0.1071429 -0.0000000 0.0000000), wk = 0.0033670 k( 11) = ( 0.1190476 -0.0000000 -0.0000000), wk = 0.0033670 k( 12) = ( 0.1309524 -0.0000000 0.0000000), wk = 0.0033670 k( 13) = ( 0.1428571 -0.0000000 -0.0000000), wk = 0.0033670 k( 14) = ( 0.1547619 -0.0000000 -0.0000000), wk = 0.0033670 k( 15) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0033670 k( 16) = ( 0.1785714 -0.0000000 0.0000000), wk = 0.0033670 k( 17) = ( 0.1904762 -0.0000000 -0.0000000), wk = 0.0033670 k( 18) = ( 0.2023810 -0.0000000 -0.0000000), wk = 0.0033670 k( 19) = ( 0.2142857 -0.0000000 -0.0000000), wk = 0.0033670 k( 20) = ( 0.2261905 -0.0000000 -0.0000000), wk = 0.0033670 k( 21) = ( 0.2380952 -0.0000000 -0.0000000), wk = 0.0033670 k( 22) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0033670 k( 23) = ( 0.2619048 -0.0000000 0.0000000), wk = 0.0033670 k( 24) = ( 0.2738095 -0.0000000 -0.0000000), wk = 0.0033670 k( 25) = ( 0.2857143 -0.0000000 0.0000000), wk = 0.0033670 k( 26) = ( 0.2976190 -0.0000000 -0.0000000), wk = 0.0033670 k( 27) = ( 0.3095238 -0.0000000 -0.0000000), wk = 0.0033670 k( 28) = ( 0.3214286 -0.0000000 -0.0000000), wk = 0.0033670 k( 29) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0033670 k( 30) = ( 0.3452381 -0.0000000 -0.0000000), wk = 0.0033670 k( 31) = ( 0.3571429 -0.0000000 0.0000000), wk = 0.0033670 k( 32) = ( 0.3690476 -0.0000000 -0.0000000), wk = 0.0033670 k( 33) = ( 0.3809524 -0.0000000 -0.0000000), wk = 0.0033670 k( 34) = ( 0.3928571 -0.0000000 -0.0000000), wk = 0.0033670 k( 35) = ( 0.4047619 -0.0000000 -0.0000000), wk = 0.0033670 k( 36) = ( 0.4166667 -0.0000000 0.0000000), wk = 0.0033670 k( 37) = ( 0.4285714 -0.0000000 -0.0000000), wk = 0.0033670 k( 38) = ( 0.4404762 -0.0000000 -0.0000000), wk = 0.0033670 k( 39) = ( 0.4523810 -0.0000000 -0.0000000), wk = 0.0033670 k( 40) = ( 0.4642857 -0.0000000 -0.0000000), wk = 0.0033670 k( 41) = ( 0.4761905 -0.0000000 -0.0000000), wk = 0.0033670 k( 42) = ( 0.4880952 -0.0000000 -0.0000000), wk = 0.0033670 k( 43) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0033670 k( 44) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0033670 k( 45) = ( 0.4930556 0.0138889 -0.0000000), wk = 0.0033670 k( 46) = ( 0.4861111 0.0277778 0.0000000), wk = 0.0033670 k( 47) = ( 0.4791667 0.0416667 -0.0000000), wk = 0.0033670 k( 48) = ( 0.4722222 0.0555556 -0.0000000), wk = 0.0033670 k( 49) = ( 0.4652778 0.0694444 -0.0000000), wk = 0.0033670 k( 50) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0033670 k( 51) = ( 0.4513889 0.0972222 -0.0000000), wk = 0.0033670 k( 52) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0033670 k( 53) = ( 0.4375000 0.1250000 -0.0000000), wk = 0.0033670 k( 54) = ( 0.4305556 0.1388889 -0.0000000), wk = 0.0033670 k( 55) = ( 0.4236111 0.1527778 0.0000000), wk = 0.0033670 k( 56) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0033670 k( 57) = ( 0.4097222 0.1805556 -0.0000000), wk = 0.0033670 k( 58) = ( 0.4027778 0.1944444 0.0000000), wk = 0.0033670 k( 59) = ( 0.3958333 0.2083333 -0.0000000), wk = 0.0033670 k( 60) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0033670 k( 61) = ( 0.3819444 0.2361111 -0.0000000), wk = 0.0033670 k( 62) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0033670 k( 63) = ( 0.3680556 0.2638889 0.0000000), wk = 0.0033670 k( 64) = ( 0.3611111 0.2777778 -0.0000000), wk = 0.0033670 k( 65) = ( 0.3541667 0.2916667 0.0000000), wk = 0.0033670 k( 66) = ( 0.3472222 0.3055556 -0.0000000), wk = 0.0033670 k( 67) = ( 0.3402778 0.3194444 0.0000000), wk = 0.0033670 k( 68) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033670 k( 69) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033670 k( 70) = ( 0.3263889 0.3263889 -0.0000000), wk = 0.0033670 k( 71) = ( 0.3194444 0.3194444 0.0000000), wk = 0.0033670 k( 72) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0033670 k( 73) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0033670 k( 74) = ( 0.2986111 0.2986111 -0.0000000), wk = 0.0033670 k( 75) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0033670 k( 76) = ( 0.2847222 0.2847222 -0.0000000), wk = 0.0033670 k( 77) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0033670 k( 78) = ( 0.2708333 0.2708333 0.0000000), wk = 0.0033670 k( 79) = ( 0.2638889 0.2638889 -0.0000000), wk = 0.0033670 k( 80) = ( 0.2569444 0.2569444 -0.0000000), wk = 0.0033670 k( 81) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0033670 k( 82) = ( 0.2430556 0.2430556 -0.0000000), wk = 0.0033670 k( 83) = ( 0.2361111 0.2361111 0.0000000), wk = 0.0033670 k( 84) = ( 0.2291667 0.2291667 0.0000000), wk = 0.0033670 k( 85) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0033670 k( 86) = ( 0.2152778 0.2152778 -0.0000000), wk = 0.0033670 k( 87) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0033670 k( 88) = ( 0.2013889 0.2013889 -0.0000000), wk = 0.0033670 k( 89) = ( 0.1944444 0.1944444 0.0000000), wk = 0.0033670 k( 90) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0033670 k( 91) = ( 0.1805556 0.1805556 -0.0000000), wk = 0.0033670 k( 92) = ( 0.1736111 0.1736111 -0.0000000), wk = 0.0033670 k( 93) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0033670 k( 94) = ( 0.1597222 0.1597222 0.0000000), wk = 0.0033670 k( 95) = ( 0.1527778 0.1527778 -0.0000000), wk = 0.0033670 k( 96) = ( 0.1458333 0.1458333 0.0000000), wk = 0.0033670 k( 97) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0033670 k( 98) = ( 0.1319444 0.1319444 0.0000000), wk = 0.0033670 k( 99) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0033670 k( 100) = ( 0.1180556 0.1180556 -0.0000000), wk = 0.0033670 k( 101) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0033670 k( 102) = ( 0.1041667 0.1041667 0.0000000), wk = 0.0033670 k( 103) = ( 0.0972222 0.0972222 0.0000000), wk = 0.0033670 k( 104) = ( 0.0902778 0.0902778 -0.0000000), wk = 0.0033670 k( 105) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0033670 k( 106) = ( 0.0763889 0.0763889 -0.0000000), wk = 0.0033670 k( 107) = ( 0.0694444 0.0694444 0.0000000), wk = 0.0033670 k( 108) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0033670 k( 109) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0033670 k( 110) = ( 0.0486111 0.0486111 0.0000000), wk = 0.0033670 k( 111) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0033670 k( 112) = ( 0.0347222 0.0347222 0.0000000), wk = 0.0033670 k( 113) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0033670 k( 114) = ( 0.0208333 0.0208333 0.0000000), wk = 0.0033670 k( 115) = ( 0.0138889 0.0138889 0.0000000), wk = 0.0033670 k( 116) = ( 0.0069444 0.0069444 -0.0000000), wk = 0.0033670 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 119) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0033670 k( 120) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0033670 k( 121) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0033670 k( 122) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0033670 k( 123) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0033670 k( 124) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0033670 k( 125) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0033670 k( 126) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0033670 k( 127) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0033670 k( 128) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033670 k( 129) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0033670 k( 130) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0033670 k( 131) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0033670 k( 132) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0033670 k( 133) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0033670 k( 134) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0033670 k( 135) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0033670 k( 136) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0033670 k( 137) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0033670 k( 138) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033670 k( 139) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033670 k( 140) = ( 0.0119048 -0.0000000 0.5000000), wk = 0.0033670 k( 141) = ( 0.0238095 -0.0000000 0.5000000), wk = 0.0033670 k( 142) = ( 0.0357143 -0.0000000 0.5000000), wk = 0.0033670 k( 143) = ( 0.0476191 -0.0000000 0.5000000), wk = 0.0033670 k( 144) = ( 0.0595238 -0.0000000 0.5000000), wk = 0.0033670 k( 145) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0033670 k( 146) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0033670 k( 147) = ( 0.0952381 -0.0000000 0.5000000), wk = 0.0033670 k( 148) = ( 0.1071429 -0.0000000 0.5000000), wk = 0.0033670 k( 149) = ( 0.1190476 -0.0000000 0.5000000), wk = 0.0033670 k( 150) = ( 0.1309524 -0.0000000 0.5000000), wk = 0.0033670 k( 151) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0033670 k( 152) = ( 0.1547619 -0.0000000 0.5000000), wk = 0.0033670 k( 153) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0033670 k( 154) = ( 0.1785714 -0.0000000 0.5000000), wk = 0.0033670 k( 155) = ( 0.1904762 -0.0000000 0.5000000), wk = 0.0033670 k( 156) = ( 0.2023810 -0.0000000 0.5000000), wk = 0.0033670 k( 157) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0033670 k( 158) = ( 0.2261905 -0.0000000 0.5000000), wk = 0.0033670 k( 159) = ( 0.2380952 -0.0000000 0.5000000), wk = 0.0033670 k( 160) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0033670 k( 161) = ( 0.2619048 -0.0000000 0.5000000), wk = 0.0033670 k( 162) = ( 0.2738095 -0.0000000 0.5000000), wk = 0.0033670 k( 163) = ( 0.2857143 -0.0000000 0.5000000), wk = 0.0033670 k( 164) = ( 0.2976190 -0.0000000 0.5000000), wk = 0.0033670 k( 165) = ( 0.3095238 -0.0000000 0.5000000), wk = 0.0033670 k( 166) = ( 0.3214286 -0.0000000 0.5000000), wk = 0.0033670 k( 167) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0033670 k( 168) = ( 0.3452381 -0.0000000 0.5000000), wk = 0.0033670 k( 169) = ( 0.3571429 -0.0000000 0.5000000), wk = 0.0033670 k( 170) = ( 0.3690476 -0.0000000 0.5000000), wk = 0.0033670 k( 171) = ( 0.3809524 -0.0000000 0.5000000), wk = 0.0033670 k( 172) = ( 0.3928571 -0.0000000 0.5000000), wk = 0.0033670 k( 173) = ( 0.4047619 -0.0000000 0.5000000), wk = 0.0033670 k( 174) = ( 0.4166667 -0.0000000 0.5000000), wk = 0.0033670 k( 175) = ( 0.4285714 -0.0000000 0.5000000), wk = 0.0033670 k( 176) = ( 0.4404762 -0.0000000 0.5000000), wk = 0.0033670 k( 177) = ( 0.4523810 -0.0000000 0.5000000), wk = 0.0033670 k( 178) = ( 0.4642857 -0.0000000 0.5000000), wk = 0.0033670 k( 179) = ( 0.4761905 -0.0000000 0.5000000), wk = 0.0033670 k( 180) = ( 0.4880952 -0.0000000 0.5000000), wk = 0.0033670 k( 181) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0033670 k( 182) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0033670 k( 183) = ( 0.4930556 0.0138889 0.5000000), wk = 0.0033670 k( 184) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0033670 k( 185) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0033670 k( 186) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0033670 k( 187) = ( 0.4652778 0.0694444 0.5000000), wk = 0.0033670 k( 188) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0033670 k( 189) = ( 0.4513889 0.0972222 0.5000000), wk = 0.0033670 k( 190) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0033670 k( 191) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0033670 k( 192) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0033670 k( 193) = ( 0.4236111 0.1527778 0.5000000), wk = 0.0033670 k( 194) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0033670 k( 195) = ( 0.4097222 0.1805556 0.5000000), wk = 0.0033670 k( 196) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0033670 k( 197) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0033670 k( 198) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0033670 k( 199) = ( 0.3819444 0.2361111 0.5000000), wk = 0.0033670 k( 200) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0033670 k( 201) = ( 0.3680556 0.2638889 0.5000000), wk = 0.0033670 k( 202) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0033670 k( 203) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0033670 k( 204) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0033670 k( 205) = ( 0.3402778 0.3194444 0.5000000), wk = 0.0033670 k( 206) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033670 k( 207) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033670 k( 208) = ( 0.3263889 0.3263889 0.5000000), wk = 0.0033670 k( 209) = ( 0.3194444 0.3194444 0.5000000), wk = 0.0033670 k( 210) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0033670 k( 211) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0033670 k( 212) = ( 0.2986111 0.2986111 0.5000000), wk = 0.0033670 k( 213) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0033670 k( 214) = ( 0.2847222 0.2847222 0.5000000), wk = 0.0033670 k( 215) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0033670 k( 216) = ( 0.2708333 0.2708333 0.5000000), wk = 0.0033670 k( 217) = ( 0.2638889 0.2638889 0.5000000), wk = 0.0033670 k( 218) = ( 0.2569444 0.2569444 0.5000000), wk = 0.0033670 k( 219) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0033670 k( 220) = ( 0.2430556 0.2430556 0.5000000), wk = 0.0033670 k( 221) = ( 0.2361111 0.2361111 0.5000000), wk = 0.0033670 k( 222) = ( 0.2291667 0.2291667 0.5000000), wk = 0.0033670 k( 223) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0033670 k( 224) = ( 0.2152778 0.2152778 0.5000000), wk = 0.0033670 k( 225) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0033670 k( 226) = ( 0.2013889 0.2013889 0.5000000), wk = 0.0033670 k( 227) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0033670 k( 228) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0033670 k( 229) = ( 0.1805556 0.1805556 0.5000000), wk = 0.0033670 k( 230) = ( 0.1736111 0.1736111 0.5000000), wk = 0.0033670 k( 231) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0033670 k( 232) = ( 0.1597222 0.1597222 0.5000000), wk = 0.0033670 k( 233) = ( 0.1527778 0.1527778 0.5000000), wk = 0.0033670 k( 234) = ( 0.1458333 0.1458333 0.5000000), wk = 0.0033670 k( 235) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0033670 k( 236) = ( 0.1319444 0.1319444 0.5000000), wk = 0.0033670 k( 237) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0033670 k( 238) = ( 0.1180556 0.1180556 0.5000000), wk = 0.0033670 k( 239) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0033670 k( 240) = ( 0.1041667 0.1041667 0.5000000), wk = 0.0033670 k( 241) = ( 0.0972222 0.0972222 0.5000000), wk = 0.0033670 k( 242) = ( 0.0902778 0.0902778 0.5000000), wk = 0.0033670 k( 243) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0033670 k( 244) = ( 0.0763889 0.0763889 0.5000000), wk = 0.0033670 k( 245) = ( 0.0694444 0.0694444 0.5000000), wk = 0.0033670 k( 246) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0033670 k( 247) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0033670 k( 248) = ( 0.0486111 0.0486111 0.5000000), wk = 0.0033670 k( 249) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0033670 k( 250) = ( 0.0347222 0.0347222 0.5000000), wk = 0.0033670 k( 251) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0033670 k( 252) = ( 0.0208333 0.0208333 0.5000000), wk = 0.0033670 k( 253) = ( 0.0138889 0.0138889 0.5000000), wk = 0.0033670 k( 254) = ( 0.0069444 0.0069444 0.5000000), wk = 0.0033670 k( 255) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033670 k( 256) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0033670 k( 257) = ( 0.5000000 -0.0000000 0.4750000), wk = 0.0033670 k( 258) = ( 0.5000000 -0.0000000 0.4500000), wk = 0.0033670 k( 259) = ( 0.5000000 -0.0000000 0.4250000), wk = 0.0033670 k( 260) = ( 0.5000000 -0.0000000 0.4000000), wk = 0.0033670 k( 261) = ( 0.5000000 -0.0000000 0.3750000), wk = 0.0033670 k( 262) = ( 0.5000000 -0.0000000 0.3500000), wk = 0.0033670 k( 263) = ( 0.5000000 -0.0000000 0.3250000), wk = 0.0033670 k( 264) = ( 0.5000000 -0.0000000 0.3000000), wk = 0.0033670 k( 265) = ( 0.5000000 -0.0000000 0.2750000), wk = 0.0033670 k( 266) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0033670 k( 267) = ( 0.5000000 -0.0000000 0.2250000), wk = 0.0033670 k( 268) = ( 0.5000000 -0.0000000 0.2000000), wk = 0.0033670 k( 269) = ( 0.5000000 -0.0000000 0.1750000), wk = 0.0033670 k( 270) = ( 0.5000000 -0.0000000 0.1500000), wk = 0.0033670 k( 271) = ( 0.5000000 -0.0000000 0.1250000), wk = 0.0033670 k( 272) = ( 0.5000000 -0.0000000 0.1000000), wk = 0.0033670 k( 273) = ( 0.5000000 -0.0000000 0.0750000), wk = 0.0033670 k( 274) = ( 0.5000000 -0.0000000 0.0500000), wk = 0.0033670 k( 275) = ( 0.5000000 -0.0000000 0.0250000), wk = 0.0033670 k( 276) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0033670 k( 277) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033670 k( 278) = ( 0.3333333 0.3333333 0.0250000), wk = 0.0033670 k( 279) = ( 0.3333333 0.3333333 0.0500000), wk = 0.0033670 k( 280) = ( 0.3333333 0.3333333 0.0750000), wk = 0.0033670 k( 281) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0033670 k( 282) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0033670 k( 283) = ( 0.3333333 0.3333333 0.1500000), wk = 0.0033670 k( 284) = ( 0.3333333 0.3333333 0.1750000), wk = 0.0033670 k( 285) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0033670 k( 286) = ( 0.3333333 0.3333333 0.2250000), wk = 0.0033670 k( 287) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0033670 k( 288) = ( 0.3333333 0.3333333 0.2750000), wk = 0.0033670 k( 289) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0033670 k( 290) = ( 0.3333333 0.3333333 0.3250000), wk = 0.0033670 k( 291) = ( 0.3333333 0.3333333 0.3500000), wk = 0.0033670 k( 292) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0033670 k( 293) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0033670 k( 294) = ( 0.3333333 0.3333333 0.4250000), wk = 0.0033670 k( 295) = ( 0.3333333 0.3333333 0.4500000), wk = 0.0033670 k( 296) = ( 0.3333333 0.3333333 0.4750000), wk = 0.0033670 k( 297) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033670 Dense grid: 130239 G-vectors FFT dimensions: ( 60, 60, 100) Smooth grid: 37223 G-vectors FFT dimensions: ( 36, 36, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.26 Mb ( 276, 62) NL pseudopotentials 0.35 Mb ( 138, 164) Each V/rho on FFT grid 0.16 Mb ( 10800) Each G-vector array 0.03 Mb ( 3617) G-vector shells 0.01 Mb ( 1765) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.04 Mb ( 276, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.31 Mb ( 164, 2, 62) The potential is recalculated from file : ./CaAsAu.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.5 secs Computing kpt #: 2 total cpu time spent up to now is 4.6 secs Computing kpt #: 3 total cpu time spent up to now is 5.7 secs Computing kpt #: 4 total cpu time spent up to now is 6.8 secs Computing kpt #: 5 total cpu time spent up to now is 7.8 secs Computing kpt #: 6 total cpu time spent up to now is 8.9 secs Computing kpt #: 7 total cpu time spent up to now is 10.1 secs Computing kpt #: 8 total cpu time spent up to now is 11.3 secs Computing kpt #: 9 total cpu time spent up to now is 12.5 secs Computing kpt #: 10 total cpu time spent up to now is 14.2 secs Computing kpt #: 11 total cpu time spent up to now is 15.5 secs Computing kpt #: 12 total cpu time spent up to now is 16.9 secs Computing kpt #: 13 total cpu time spent up to now is 18.6 secs Computing kpt #: 14 total cpu time spent up to now is 19.9 secs Computing kpt #: 15 total cpu time spent up to now is 21.3 secs Computing kpt #: 16 total cpu time spent up to now is 22.6 secs Computing kpt #: 17 total cpu time spent up to now is 23.9 secs Computing kpt #: 18 total cpu time spent up to now is 25.2 secs Computing kpt #: 19 total cpu time spent up to now is 26.6 secs Computing kpt #: 20 total cpu time spent up to now is 28.0 secs Computing kpt #: 21 total cpu time spent up to now is 29.5 secs Computing kpt #: 22 total cpu time spent up to now is 31.0 secs Computing kpt #: 23 total cpu time spent up to now is 34.4 secs Computing kpt #: 24 total cpu time spent up to now is 35.9 secs Computing kpt #: 25 total cpu time spent up to now is 37.5 secs Computing kpt #: 26 total cpu time spent up to now is 39.0 secs Computing kpt #: 27 total cpu time spent up to now is 40.6 secs Computing kpt #: 28 total cpu time spent up to now is 42.2 secs Computing kpt #: 29 total cpu time spent up to now is 44.1 secs Computing kpt #: 30 total cpu time spent up to now is 45.9 secs Computing kpt #: 31 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 47.9 secs Computing kpt #: 32 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 49.8 secs Computing kpt #: 33 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 51.8 secs Computing kpt #: 34 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 53.8 secs Computing kpt #: 35 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 55.8 secs Computing kpt #: 36 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 57.7 secs Computing kpt #: 37 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 59.7 secs Computing kpt #: 38 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 61.7 secs Computing kpt #: 39 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 63.7 secs Computing kpt #: 40 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 65.6 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 67.6 secs Computing kpt #: 42 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 69.6 secs Computing kpt #: 43 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 71.6 secs Computing kpt #: 44 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 73.5 secs Computing kpt #: 45 total cpu time spent up to now is 75.1 secs Computing kpt #: 46 total cpu time spent up to now is 76.3 secs Computing kpt #: 47 total cpu time spent up to now is 77.4 secs Computing kpt #: 48 total cpu time spent up to now is 78.5 secs Computing kpt #: 49 total cpu time spent up to now is 80.9 secs Computing kpt #: 50 total cpu time spent up to now is 82.0 secs Computing kpt #: 51 total cpu time spent up to now is 83.1 secs Computing kpt #: 52 total cpu time spent up to now is 84.3 secs Computing kpt #: 53 total cpu time spent up to now is 85.7 secs Computing kpt #: 54 total cpu time spent up to now is 87.0 secs Computing kpt #: 55 total cpu time spent up to now is 88.4 secs Computing kpt #: 56 total cpu time spent up to now is 89.6 secs Computing kpt #: 57 total cpu time spent up to now is 90.7 secs Computing kpt #: 58 total cpu time spent up to now is 91.9 secs Computing kpt #: 59 total cpu time spent up to now is 93.0 secs Computing kpt #: 60 total cpu time spent up to now is 94.1 secs Computing kpt #: 61 total cpu time spent up to now is 95.2 secs Computing kpt #: 62 total cpu time spent up to now is 96.2 secs Computing kpt #: 63 total cpu time spent up to now is 97.3 secs Computing kpt #: 64 total cpu time spent up to now is 98.4 secs Computing kpt #: 65 total cpu time spent up to now is 99.5 secs Computing kpt #: 66 total cpu time spent up to now is 100.5 secs Computing kpt #: 67 total cpu time spent up to now is 101.6 secs Computing kpt #: 68 total cpu time spent up to now is 102.7 secs Computing kpt #: 69 total cpu time spent up to now is 103.7 secs Computing kpt #: 70 total cpu time spent up to now is 104.8 secs Computing kpt #: 71 total cpu time spent up to now is 105.9 secs Computing kpt #: 72 total cpu time spent up to now is 107.0 secs Computing kpt #: 73 total cpu time spent up to now is 108.0 secs Computing kpt #: 74 total cpu time spent up to now is 109.1 secs Computing kpt #: 75 total cpu time spent up to now is 110.0 secs Computing kpt #: 76 total cpu time spent up to now is 111.1 secs Computing kpt #: 77 total cpu time spent up to now is 112.0 secs Computing kpt #: 78 total cpu time spent up to now is 112.9 secs Computing kpt #: 79 total cpu time spent up to now is 113.9 secs Computing kpt #: 80 total cpu time spent up to now is 114.8 secs Computing kpt #: 81 total cpu time spent up to now is 115.7 secs Computing kpt #: 82 total cpu time spent up to now is 116.5 secs Computing kpt #: 83 total cpu time spent up to now is 117.4 secs Computing kpt #: 84 total cpu time spent up to now is 118.2 secs Computing kpt #: 85 total cpu time spent up to now is 119.1 secs Computing kpt #: 86 total cpu time spent up to now is 120.0 secs Computing kpt #: 87 total cpu time spent up to now is 120.9 secs Computing kpt #: 88 total cpu time spent up to now is 121.9 secs Computing kpt #: 89 total cpu time spent up to now is 122.9 secs Computing kpt #: 90 total cpu time spent up to now is 123.9 secs Computing kpt #: 91 total cpu time spent up to now is 125.0 secs Computing kpt #: 92 total cpu time spent up to now is 127.1 secs Computing kpt #: 93 total cpu time spent up to now is 128.3 secs Computing kpt #: 94 total cpu time spent up to now is 129.6 secs Computing kpt #: 95 total cpu time spent up to now is 130.6 secs Computing kpt #: 96 total cpu time spent up to now is 131.9 secs Computing kpt #: 97 total cpu time spent up to now is 133.2 secs Computing kpt #: 98 total cpu time spent up to now is 134.5 secs Computing kpt #: 99 total cpu time spent up to now is 135.8 secs Computing kpt #: 100 total cpu time spent up to now is 137.1 secs Computing kpt #: 101 total cpu time spent up to now is 138.4 secs Computing kpt #: 102 total cpu time spent up to now is 139.6 secs Computing kpt #: 103 total cpu time spent up to now is 141.1 secs Computing kpt #: 104 total cpu time spent up to now is 142.8 secs Computing kpt #: 105 total cpu time spent up to now is 144.2 secs Computing kpt #: 106 total cpu time spent up to now is 145.5 secs Computing kpt #: 107 total cpu time spent up to now is 146.9 secs Computing kpt #: 108 total cpu time spent up to now is 148.0 secs Computing kpt #: 109 total cpu time spent up to now is 149.3 secs Computing kpt #: 110 total cpu time spent up to now is 150.5 secs Computing kpt #: 111 total cpu time spent up to now is 151.7 secs Computing kpt #: 112 total cpu time spent up to now is 152.8 secs Computing kpt #: 113 total cpu time spent up to now is 153.9 secs Computing kpt #: 114 total cpu time spent up to now is 155.0 secs Computing kpt #: 115 total cpu time spent up to now is 156.1 secs Computing kpt #: 116 total cpu time spent up to now is 157.1 secs Computing kpt #: 117 total cpu time spent up to now is 158.2 secs Computing kpt #: 118 total cpu time spent up to now is 159.3 secs Computing kpt #: 119 total cpu time spent up to now is 160.3 secs Computing kpt #: 120 total cpu time spent up to now is 161.4 secs Computing kpt #: 121 total cpu time spent up to now is 162.5 secs Computing kpt #: 122 total cpu time spent up to now is 163.6 secs Computing kpt #: 123 total cpu time spent up to now is 164.6 secs Computing kpt #: 124 total cpu time spent up to now is 165.7 secs Computing kpt #: 125 total cpu time spent up to now is 166.8 secs Computing kpt #: 126 total cpu time spent up to now is 167.9 secs Computing kpt #: 127 total cpu time spent up to now is 168.9 secs Computing kpt #: 128 total cpu time spent up to now is 170.0 secs Computing kpt #: 129 total cpu time spent up to now is 171.1 secs Computing kpt #: 130 total cpu time spent up to now is 172.2 secs Computing kpt #: 131 total cpu time spent up to now is 173.3 secs Computing kpt #: 132 total cpu time spent up to now is 174.5 secs Computing kpt #: 133 total cpu time spent up to now is 175.7 secs Computing kpt #: 134 total cpu time spent up to now is 176.9 secs Computing kpt #: 135 total cpu time spent up to now is 178.2 secs Computing kpt #: 136 total cpu time spent up to now is 180.0 secs Computing kpt #: 137 total cpu time spent up to now is 181.2 secs Computing kpt #: 138 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 183.2 secs Computing kpt #: 139 total cpu time spent up to now is 184.5 secs Computing kpt #: 140 total cpu time spent up to now is 185.7 secs Computing kpt #: 141 total cpu time spent up to now is 186.9 secs Computing kpt #: 142 total cpu time spent up to now is 188.1 secs Computing kpt #: 143 total cpu time spent up to now is 189.2 secs Computing kpt #: 144 total cpu time spent up to now is 190.4 secs Computing kpt #: 145 total cpu time spent up to now is 191.6 secs Computing kpt #: 146 total cpu time spent up to now is 192.7 secs Computing kpt #: 147 total cpu time spent up to now is 193.9 secs Computing kpt #: 148 total cpu time spent up to now is 195.1 secs Computing kpt #: 149 total cpu time spent up to now is 196.3 secs Computing kpt #: 150 total cpu time spent up to now is 197.5 secs Computing kpt #: 151 total cpu time spent up to now is 198.7 secs Computing kpt #: 152 total cpu time spent up to now is 199.9 secs Computing kpt #: 153 total cpu time spent up to now is 201.1 secs Computing kpt #: 154 total cpu time spent up to now is 202.4 secs Computing kpt #: 155 total cpu time spent up to now is 204.1 secs Computing kpt #: 156 total cpu time spent up to now is 205.3 secs Computing kpt #: 157 total cpu time spent up to now is 207.0 secs Computing kpt #: 158 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 208.9 secs Computing kpt #: 159 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 210.9 secs Computing kpt #: 160 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 212.8 secs Computing kpt #: 161 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 214.7 secs Computing kpt #: 162 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 216.7 secs Computing kpt #: 163 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 218.6 secs Computing kpt #: 164 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 220.5 secs Computing kpt #: 165 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 222.4 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 224.4 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 226.3 secs Computing kpt #: 168 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 228.3 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 230.2 secs Computing kpt #: 170 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 232.1 secs Computing kpt #: 171 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 234.0 secs Computing kpt #: 172 total cpu time spent up to now is 235.9 secs Computing kpt #: 173 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 237.8 secs Computing kpt #: 174 total cpu time spent up to now is 239.7 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 241.6 secs Computing kpt #: 176 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 243.5 secs Computing kpt #: 177 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 245.4 secs Computing kpt #: 178 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 247.3 secs Computing kpt #: 179 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 249.2 secs Computing kpt #: 180 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 251.3 secs Computing kpt #: 181 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 253.4 secs Computing kpt #: 182 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 255.3 secs Computing kpt #: 183 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 257.2 secs Computing kpt #: 184 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 259.2 secs Computing kpt #: 185 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 261.1 secs Computing kpt #: 186 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 263.0 secs Computing kpt #: 187 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 264.9 secs Computing kpt #: 188 total cpu time spent up to now is 266.6 secs Computing kpt #: 189 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 269.8 secs Computing kpt #: 190 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 271.7 secs Computing kpt #: 191 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 273.6 secs Computing kpt #: 192 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 275.6 secs Computing kpt #: 193 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 277.4 secs Computing kpt #: 194 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 279.3 secs Computing kpt #: 195 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 281.3 secs Computing kpt #: 196 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 283.3 secs Computing kpt #: 197 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 285.3 secs Computing kpt #: 198 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 287.3 secs Computing kpt #: 199 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 289.2 secs Computing kpt #: 200 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 291.2 secs Computing kpt #: 201 total cpu time spent up to now is 292.5 secs Computing kpt #: 202 total cpu time spent up to now is 294.2 secs Computing kpt #: 203 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 296.1 secs Computing kpt #: 204 total cpu time spent up to now is 297.6 secs Computing kpt #: 205 total cpu time spent up to now is 299.1 secs Computing kpt #: 206 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 301.0 secs Computing kpt #: 207 total cpu time spent up to now is 302.2 secs Computing kpt #: 208 total cpu time spent up to now is 303.6 secs Computing kpt #: 209 total cpu time spent up to now is 304.9 secs Computing kpt #: 210 total cpu time spent up to now is 306.3 secs Computing kpt #: 211 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 308.2 secs Computing kpt #: 212 total cpu time spent up to now is 309.8 secs Computing kpt #: 213 total cpu time spent up to now is 311.3 secs Computing kpt #: 214 total cpu time spent up to now is 312.8 secs Computing kpt #: 215 total cpu time spent up to now is 314.3 secs Computing kpt #: 216 total cpu time spent up to now is 315.8 secs Computing kpt #: 217 total cpu time spent up to now is 317.2 secs Computing kpt #: 218 total cpu time spent up to now is 318.3 secs Computing kpt #: 219 total cpu time spent up to now is 319.4 secs Computing kpt #: 220 total cpu time spent up to now is 320.6 secs Computing kpt #: 221 total cpu time spent up to now is 321.7 secs Computing kpt #: 222 total cpu time spent up to now is 322.8 secs Computing kpt #: 223 total cpu time spent up to now is 323.9 secs Computing kpt #: 224 total cpu time spent up to now is 325.0 secs Computing kpt #: 225 total cpu time spent up to now is 326.1 secs Computing kpt #: 226 total cpu time spent up to now is 327.2 secs Computing kpt #: 227 total cpu time spent up to now is 328.3 secs Computing kpt #: 228 total cpu time spent up to now is 329.4 secs Computing kpt #: 229 total cpu time spent up to now is 330.5 secs Computing kpt #: 230 total cpu time spent up to now is 331.5 secs Computing kpt #: 231 total cpu time spent up to now is 332.6 secs Computing kpt #: 232 total cpu time spent up to now is 333.7 secs Computing kpt #: 233 total cpu time spent up to now is 334.8 secs Computing kpt #: 234 total cpu time spent up to now is 336.0 secs Computing kpt #: 235 total cpu time spent up to now is 337.1 secs Computing kpt #: 236 total cpu time spent up to now is 338.1 secs Computing kpt #: 237 total cpu time spent up to now is 339.1 secs Computing kpt #: 238 total cpu time spent up to now is 340.2 secs Computing kpt #: 239 total cpu time spent up to now is 341.4 secs Computing kpt #: 240 total cpu time spent up to now is 342.5 secs Computing kpt #: 241 total cpu time spent up to now is 343.5 secs Computing kpt #: 242 total cpu time spent up to now is 344.6 secs Computing kpt #: 243 total cpu time spent up to now is 345.8 secs Computing kpt #: 244 total cpu time spent up to now is 346.9 secs Computing kpt #: 245 total cpu time spent up to now is 348.1 secs Computing kpt #: 246 total cpu time spent up to now is 349.3 secs Computing kpt #: 247 total cpu time spent up to now is 350.6 secs Computing kpt #: 248 total cpu time spent up to now is 351.9 secs Computing kpt #: 249 total cpu time spent up to now is 353.1 secs Computing kpt #: 250 total cpu time spent up to now is 354.3 secs Computing kpt #: 251 total cpu time spent up to now is 355.5 secs Computing kpt #: 252 total cpu time spent up to now is 356.7 secs Computing kpt #: 253 total cpu time spent up to now is 357.9 secs Computing kpt #: 254 total cpu time spent up to now is 359.2 secs Computing kpt #: 255 total cpu time spent up to now is 360.5 secs Computing kpt #: 256 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 362.4 secs Computing kpt #: 257 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 364.3 secs Computing kpt #: 258 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 366.2 secs Computing kpt #: 259 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 368.1 secs Computing kpt #: 260 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 370.1 secs Computing kpt #: 261 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 372.0 secs Computing kpt #: 262 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 373.9 secs Computing kpt #: 263 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 375.8 secs Computing kpt #: 264 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 377.8 secs Computing kpt #: 265 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 379.7 secs Computing kpt #: 266 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 381.6 secs Computing kpt #: 267 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 383.6 secs Computing kpt #: 268 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 385.5 secs Computing kpt #: 269 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 387.4 secs Computing kpt #: 270 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 389.3 secs Computing kpt #: 271 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 391.2 secs Computing kpt #: 272 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 393.2 secs Computing kpt #: 273 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 395.1 secs Computing kpt #: 274 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 397.1 secs Computing kpt #: 275 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 399.1 secs Computing kpt #: 276 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 401.1 secs Computing kpt #: 277 total cpu time spent up to now is 402.2 secs Computing kpt #: 278 total cpu time spent up to now is 403.2 secs Computing kpt #: 279 total cpu time spent up to now is 404.3 secs Computing kpt #: 280 total cpu time spent up to now is 405.4 secs Computing kpt #: 281 total cpu time spent up to now is 406.5 secs Computing kpt #: 282 total cpu time spent up to now is 407.5 secs Computing kpt #: 283 total cpu time spent up to now is 408.6 secs Computing kpt #: 284 total cpu time spent up to now is 409.7 secs Computing kpt #: 285 total cpu time spent up to now is 410.8 secs Computing kpt #: 286 total cpu time spent up to now is 411.9 secs Computing kpt #: 287 total cpu time spent up to now is 413.0 secs Computing kpt #: 288 total cpu time spent up to now is 414.1 secs Computing kpt #: 289 total cpu time spent up to now is 415.3 secs Computing kpt #: 290 total cpu time spent up to now is 416.5 secs Computing kpt #: 291 total cpu time spent up to now is 417.6 secs Computing kpt #: 292 total cpu time spent up to now is 418.9 secs Computing kpt #: 293 total cpu time spent up to now is 420.1 secs Computing kpt #: 294 total cpu time spent up to now is 421.4 secs Computing kpt #: 295 total cpu time spent up to now is 422.9 secs Computing kpt #: 296 total cpu time spent up to now is 424.2 secs Computing kpt #: 297 total cpu time spent up to now is 425.7 secs ethr = 1.92E-08, avg # of iterations = 71.5 total cpu time spent up to now is 425.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4623 PWs) bands (ev): -31.0487 -31.0487 -31.0440 -31.0440 -12.3378 -12.3378 -12.3047 -12.3047 -11.9847 -11.9847 -11.9313 -11.9313 -11.9213 -11.9213 -11.9127 -11.9127 -1.9763 -1.9763 -1.5111 -1.5111 3.3736 3.3736 3.4906 3.4906 4.2243 4.2243 4.3904 4.3904 4.4739 4.4739 4.8253 4.8253 5.6954 5.6954 5.7076 5.7076 5.8019 5.8019 5.9825 5.9825 6.4866 6.4866 8.9450 8.9450 9.8099 9.8099 9.8750 9.8750 9.9962 9.9962 10.0289 10.0289 11.0045 11.0045 11.1813 11.1813 12.1733 12.1733 12.4687 12.4687 12.5721 12.5721 k = 0.0119 0.0069-0.0000 ( 4635 PWs) bands (ev): -31.0487 -31.0487 -31.0440 -31.0440 -12.3378 -12.3378 -12.3047 -12.3047 -11.9848 -11.9848 -11.9313 -11.9313 -11.9213 -11.9213 -11.9127 -11.9127 -1.9752 -1.9752 -1.5105 -1.5105 3.3740 3.3740 3.4907 3.4907 4.2246 4.2246 4.3900 4.3900 4.4743 4.4743 4.8244 4.8244 5.6951 5.6951 5.7054 5.7054 5.8021 5.8021 5.9867 5.9867 6.4868 6.4868 8.9455 8.9455 9.8004 9.8004 9.8091 9.8091 9.9551 9.9551 10.1331 10.1331 10.9971 10.9971 11.1765 11.1765 12.1743 12.1743 12.4797 12.4797 12.5820 12.5820 k = 0.0238 0.0137-0.0000 ( 4643 PWs) bands (ev): -31.0487 -31.0487 -31.0440 -31.0440 -12.3379 -12.3379 -12.3048 -12.3048 -11.9848 -11.9848 -11.9314 -11.9314 -11.9215 -11.9215 -11.9128 -11.9128 -1.9719 -1.9719 -1.5086 -1.5086 3.3755 3.3755 3.4910 3.4910 4.2255 4.2255 4.3888 4.3888 4.4753 4.4753 4.8217 4.8217 5.6942 5.6942 5.6993 5.6993 5.8026 5.8026 5.9986 5.9986 6.4876 6.4876 8.9473 8.9473 9.6806 9.6806 9.7750 9.7750 9.9395 9.9395 10.2658 10.2658 10.9749 10.9749 11.1640 11.1640 12.1766 12.1766 12.5123 12.5123 12.6115 12.6115 k = 0.0357 0.0206-0.0000 ( 4645 PWs) bands (ev): -31.0486 -31.0486 -31.0440 -31.0440 -12.3379 -12.3379 -12.3050 -12.3050 -11.9848 -11.9848 -11.9315 -11.9315 -11.9217 -11.9217 -11.9130 -11.9130 -1.9664 -1.9664 -1.5055 -1.5055 3.3779 3.3779 3.4915 3.4915 4.2270 4.2270 4.3869 4.3869 4.4770 4.4770 4.8172 4.8172 5.6903 5.6903 5.6928 5.6928 5.8034 5.8034 6.0173 6.0173 6.4889 6.4889 8.9503 8.9503 9.5428 9.5428 9.7312 9.7312 9.9256 9.9256 10.4001 10.4001 10.9379 10.9379 11.1480 11.1480 12.1794 12.1794 12.5645 12.5645 12.6586 12.6586 k = 0.0476 0.0275-0.0000 ( 4647 PWs) bands (ev): -31.0486 -31.0486 -31.0440 -31.0440 -12.3379 -12.3379 -12.3051 -12.3051 -11.9848 -11.9848 -11.9316 -11.9316 -11.9220 -11.9220 -11.9132 -11.9132 -1.9588 -1.9588 -1.5011 -1.5011 3.3812 3.3812 3.4922 3.4922 4.2291 4.2291 4.3845 4.3845 4.4792 4.4792 4.8112 4.8112 5.6793 5.6793 5.6908 5.6908 5.8046 5.8046 6.0413 6.0413 6.4910 6.4910 8.9544 8.9544 9.4022 9.4022 9.6710 9.6710 9.9090 9.9090 10.5308 10.5308 10.8890 10.8890 11.1326 11.1326 12.1818 12.1818 12.6334 12.6334 12.7210 12.7210 k = 0.0595 0.0344-0.0000 ( 4655 PWs) bands (ev): -31.0486 -31.0486 -31.0439 -31.0439 -12.3380 -12.3380 -12.3054 -12.3054 -11.9848 -11.9848 -11.9317 -11.9317 -11.9224 -11.9224 -11.9136 -11.9136 -1.9491 -1.9491 -1.4955 -1.4955 3.3855 3.3855 3.4930 3.4930 4.2317 4.2317 4.3816 4.3816 4.4818 4.4818 4.8036 4.8036 5.6674 5.6674 5.6882 5.6882 5.8063 5.8063 6.0694 6.0694 6.4942 6.4942 8.9597 8.9597 9.2603 9.2603 9.5959 9.5959 9.8889 9.8889 10.6442 10.6442 10.8431 10.8431 11.1204 11.1204 12.1835 12.1835 12.7151 12.7151 12.7965 12.7965 k = 0.0714 0.0412-0.0000 ( 4649 PWs) bands (ev): -31.0486 -31.0486 -31.0439 -31.0439 -12.3380 -12.3380 -12.3056 -12.3056 -11.9849 -11.9849 -11.9318 -11.9318 -11.9229 -11.9229 -11.9139 -11.9139 -1.9372 -1.9372 -1.4887 -1.4887 3.3907 3.3907 3.4939 3.4939 4.2350 4.2350 4.3785 4.3785 4.4849 4.4849 4.7947 4.7947 5.6551 5.6551 5.6850 5.6850 5.8083 5.8083 6.1004 6.1004 6.4987 6.4987 8.9661 8.9661 9.1179 9.1179 9.5077 9.5077 9.8651 9.8651 10.6731 10.6731 10.8692 10.8692 11.1125 11.1125 12.1846 12.1846 12.8055 12.8055 12.8832 12.8832 k = 0.0833 0.0481-0.0000 ( 4653 PWs) bands (ev): -31.0485 -31.0485 -31.0439 -31.0439 -12.3380 -12.3380 -12.3059 -12.3059 -11.9849 -11.9849 -11.9320 -11.9320 -11.9234 -11.9234 -11.9144 -11.9144 -1.9233 -1.9233 -1.4807 -1.4807 3.3968 3.3968 3.4950 3.4950 4.2389 4.2389 4.3753 4.3753 4.4883 4.4883 4.7847 4.7847 5.6429 5.6429 5.6812 5.6812 5.8108 5.8108 6.1331 6.1331 6.5051 6.5051 8.9735 8.9735 8.9754 8.9754 9.4084 9.4084 9.8374 9.8374 10.6098 10.6098 10.9751 10.9751 11.1112 11.1112 12.1853 12.1853 12.9003 12.9003 12.9798 12.9798 k = 0.0952 0.0550-0.0000 ( 4651 PWs) bands (ev): -31.0485 -31.0485 -31.0438 -31.0438 -12.3381 -12.3381 -12.3062 -12.3062 -11.9850 -11.9850 -11.9323 -11.9323 -11.9240 -11.9240 -11.9149 -11.9149 -1.9073 -1.9073 -1.4716 -1.4716 3.4037 3.4037 3.4961 3.4961 4.2434 4.2434 4.3722 4.3722 4.4919 4.4919 4.7737 4.7737 5.6310 5.6310 5.6768 5.6768 5.8137 5.8137 6.1663 6.1663 6.5142 6.5142 8.8327 8.8327 8.9823 8.9823 9.3000 9.3000 9.8057 9.8057 10.5225 10.5225 11.0706 11.0706 11.1401 11.1401 12.1860 12.1860 12.9553 12.9553 12.9992 12.9992 k = 0.1071 0.0619-0.0000 ( 4649 PWs) bands (ev): -31.0484 -31.0484 -31.0438 -31.0438 -12.3381 -12.3381 -12.3066 -12.3066 -11.9850 -11.9850 -11.9326 -11.9326 -11.9246 -11.9246 -11.9154 -11.9154 -1.8895 -1.8895 -1.4613 -1.4613 3.4114 3.4114 3.4972 3.4972 4.2485 4.2485 4.3692 4.3692 4.4959 4.4959 4.7620 4.7620 5.6197 5.6197 5.6718 5.6718 5.8170 5.8170 6.1986 6.1986 6.5269 6.5269 8.6903 8.6903 8.9918 8.9918 9.1842 9.1842 9.7700 9.7700 10.4268 10.4268 11.0919 11.0919 11.2477 11.2477 12.1874 12.1874 12.9122 12.9122 13.0932 13.0932 k = 0.1190 0.0687-0.0000 ( 4653 PWs) bands (ev): -31.0484 -31.0484 -31.0437 -31.0437 -12.3382 -12.3382 -12.3070 -12.3070 -11.9851 -11.9851 -11.9329 -11.9329 -11.9252 -11.9252 -11.9160 -11.9160 -1.8697 -1.8697 -1.4500 -1.4500 3.4199 3.4199 3.4983 3.4983 4.2541 4.2541 4.3666 4.3666 4.5000 4.5000 4.7499 4.7499 5.6090 5.6090 5.6664 5.6664 5.8208 5.8208 6.2287 6.2287 6.5444 6.5444 8.5484 8.5484 9.0010 9.0010 9.0637 9.0637 9.7302 9.7302 10.3265 10.3265 11.0981 11.0981 11.3710 11.3710 12.1904 12.1904 12.8615 12.8615 13.1786 13.1786 k = 0.1310 0.0756-0.0000 ( 4657 PWs) bands (ev): -31.0483 -31.0483 -31.0437 -31.0437 -12.3383 -12.3383 -12.3075 -12.3075 -11.9851 -11.9851 -11.9333 -11.9333 -11.9258 -11.9258 -11.9167 -11.9167 -1.8480 -1.8480 -1.4377 -1.4377 3.4292 3.4292 3.4994 3.4994 4.2603 4.2603 4.3645 4.3645 4.5045 4.5045 4.7374 4.7374 5.5989 5.5989 5.6604 5.6604 5.8250 5.8250 6.2551 6.2551 6.5679 6.5679 8.4071 8.4071 8.9325 8.9325 9.0170 9.0170 9.6867 9.6867 10.2234 10.2234 11.1039 11.1039 11.4924 11.4924 12.1964 12.1964 12.8049 12.8049 13.2089 13.2089 k = 0.1429 0.0825-0.0000 ( 4651 PWs) bands (ev): -31.0482 -31.0482 -31.0436 -31.0436 -12.3384 -12.3384 -12.3080 -12.3080 -11.9852 -11.9852 -11.9338 -11.9338 -11.9264 -11.9264 -11.9174 -11.9174 -1.8247 -1.8247 -1.4243 -1.4243 3.4391 3.4391 3.5005 3.5005 4.2671 4.2671 4.3628 4.3628 4.5092 4.5092 4.7249 4.7249 5.5894 5.5894 5.6540 5.6540 5.8296 5.8296 6.2768 6.2768 6.5981 6.5981 8.2668 8.2668 8.8028 8.8028 9.0287 9.0287 9.6393 9.6393 10.1186 10.1186 11.1102 11.1102 11.6078 11.6078 12.2078 12.2078 12.7434 12.7434 13.2306 13.2306 k = 0.1548 0.0894-0.0000 ( 4657 PWs) bands (ev): -31.0482 -31.0482 -31.0436 -31.0436 -12.3385 -12.3385 -12.3085 -12.3085 -11.9853 -11.9853 -11.9344 -11.9344 -11.9270 -11.9270 -11.9181 -11.9181 -1.7997 -1.7997 -1.4101 -1.4101 3.4497 3.4497 3.5015 3.5015 4.2742 4.2742 4.3618 4.3618 4.5142 4.5142 4.7124 4.7124 5.5806 5.5806 5.6472 5.6472 5.8346 5.8346 6.2935 6.2935 6.6354 6.6354 8.1277 8.1277 8.6693 8.6693 9.0420 9.0420 9.5885 9.5885 10.0128 10.0128 11.1169 11.1169 11.7132 11.7132 12.2277 12.2277 12.6777 12.6777 13.2531 13.2531 k = 0.1667 0.0962-0.0000 ( 4661 PWs) bands (ev): -31.0481 -31.0481 -31.0435 -31.0435 -12.3386 -12.3386 -12.3090 -12.3090 -11.9854 -11.9854 -11.9351 -11.9351 -11.9275 -11.9275 -11.9189 -11.9189 -1.7731 -1.7731 -1.3950 -1.3950 3.4609 3.4609 3.5027 3.5027 4.2816 4.2816 4.3615 4.3615 4.5195 4.5195 4.7003 4.7003 5.5723 5.5723 5.6400 5.6400 5.8399 5.8399 6.3054 6.3054 6.6791 6.6791 7.9900 7.9900 8.5337 8.5337 9.0561 9.0561 9.5342 9.5342 9.9067 9.9067 11.1235 11.1235 11.8041 11.8041 12.2607 12.2607 12.6089 12.6089 13.2769 13.2769 k = 0.1786 0.1031-0.0000 ( 4659 PWs) bands (ev): -31.0480 -31.0480 -31.0434 -31.0434 -12.3387 -12.3387 -12.3096 -12.3096 -11.9854 -11.9854 -11.9359 -11.9359 -11.9281 -11.9281 -11.9196 -11.9196 -1.7450 -1.7450 -1.3791 -1.3791 3.4725 3.4725 3.5041 3.5041 4.2892 4.2892 4.3618 4.3618 4.5253 4.5253 4.6888 4.6888 5.5646 5.5646 5.6326 5.6326 5.8456 5.8456 6.3133 6.3133 6.7284 6.7284 7.8541 7.8541 8.3966 8.3966 9.0710 9.0710 9.4768 9.4768 9.8007 9.8007 11.1295 11.1295 11.8762 11.8762 12.3105 12.3105 12.5377 12.5377 13.3020 13.3020 k = 0.1905 0.1100-0.0000 ( 4659 PWs) bands (ev): -31.0479 -31.0479 -31.0434 -31.0434 -12.3388 -12.3388 -12.3102 -12.3102 -11.9855 -11.9855 -11.9368 -11.9368 -11.9285 -11.9285 -11.9205 -11.9205 -1.7156 -1.7156 -1.3625 -1.3625 3.4841 3.4841 3.5060 3.5060 4.2967 4.2967 4.3628 4.3628 4.5315 4.5315 4.6779 4.6779 5.5574 5.5574 5.6250 5.6250 5.8515 5.8515 6.3180 6.3180 6.7824 6.7824 7.7203 7.7203 8.2587 8.2587 9.0862 9.0862 9.4166 9.4166 9.6953 9.6953 11.1345 11.1345 11.9290 11.9290 12.3764 12.3764 12.4664 12.4664 13.3284 13.3284 k = 0.2024 0.1168-0.0000 ( 4651 PWs) bands (ev): -31.0478 -31.0478 -31.0433 -31.0433 -12.3389 -12.3389 -12.3108 -12.3108 -11.9856 -11.9856 -11.9377 -11.9377 -11.9289 -11.9289 -11.9213 -11.9213 -1.6849 -1.6849 -1.3452 -1.3452 3.4943 3.4943 3.5100 3.5100 4.3041 4.3041 4.3645 4.3645 4.5383 4.5383 4.6679 4.6679 5.5507 5.5507 5.6172 5.6172 5.8576 5.8576 6.3201 6.3201 6.8401 6.8401 7.5890 7.5890 8.1206 8.1206 9.1018 9.1018 9.3536 9.3536 9.5910 9.5910 11.1380 11.1380 11.9663 11.9663 12.3851 12.3851 12.4644 12.4644 13.3560 13.3560 k = 0.2143 0.1237-0.0000 ( 4655 PWs) bands (ev): -31.0478 -31.0478 -31.0432 -31.0432 -12.3391 -12.3391 -12.3114 -12.3114 -11.9857 -11.9857 -11.9388 -11.9388 -11.9292 -11.9292 -11.9222 -11.9222 -1.6532 -1.6532 -1.3274 -1.3274 3.5006 3.5006 3.5188 3.5188 4.3110 4.3110 4.3668 4.3668 4.5456 4.5456 4.6591 4.6591 5.5446 5.5446 5.6094 5.6094 5.8640 5.8640 6.3203 6.3203 6.9007 6.9007 7.4607 7.4607 7.9829 7.9829 9.1174 9.1174 9.2880 9.2880 9.4882 9.4882 11.1395 11.1395 11.9941 11.9941 12.3125 12.3125 12.5504 12.5504 13.3846 13.3846 k = 0.2262 0.1306-0.0000 ( 4649 PWs) bands (ev): -31.0477 -31.0477 -31.0431 -31.0431 -12.3392 -12.3392 -12.3120 -12.3120 -11.9858 -11.9858 -11.9398 -11.9398 -11.9295 -11.9295 -11.9230 -11.9230 -1.6205 -1.6205 -1.3091 -1.3091 3.5038 3.5038 3.5315 3.5315 4.3172 4.3172 4.3696 4.3696 4.5535 4.5535 4.6516 4.6516 5.5389 5.5389 5.6015 5.6015 5.8704 5.8704 6.3188 6.3188 6.9629 6.9629 7.3363 7.3363 7.8460 7.8460 9.1327 9.1327 9.2201 9.2201 9.3875 9.3875 11.1390 11.1390 12.0169 12.0169 12.2379 12.2379 12.6406 12.6406 13.4142 13.4142 k = 0.2381 0.1375-0.0000 ( 4641 PWs) bands (ev): -31.0476 -31.0476 -31.0431 -31.0431 -12.3393 -12.3393 -12.3127 -12.3127 -11.9858 -11.9858 -11.9410 -11.9410 -11.9298 -11.9298 -11.9239 -11.9239 -1.5870 -1.5870 -1.2904 -1.2904 3.5062 3.5062 3.5459 3.5459 4.3226 4.3226 4.3727 4.3727 4.5620 4.5620 4.6456 4.6456 5.5337 5.5337 5.5938 5.5938 5.8769 5.8769 6.3162 6.3162 7.0236 7.0236 7.2188 7.2188 7.7105 7.7105 9.1412 9.1412 9.1557 9.1557 9.2900 9.2900 11.1362 11.1362 12.0373 12.0373 12.1641 12.1641 12.7298 12.7298 13.4445 13.4445 k = 0.2500 0.1443-0.0000 ( 4641 PWs) bands (ev): -31.0475 -31.0475 -31.0430 -31.0430 -12.3395 -12.3395 -12.3133 -12.3133 -11.9860 -11.9860 -11.9421 -11.9421 -11.9300 -11.9300 -11.9248 -11.9248 -1.5528 -1.5528 -1.2715 -1.2715 3.5085 3.5085 3.5614 3.5614 4.3270 4.3270 4.3759 4.3759 4.5709 4.5709 4.6415 4.6415 5.5290 5.5290 5.5862 5.5862 5.8834 5.8834 6.3125 6.3125 7.0496 7.0496 7.1410 7.1410 7.5774 7.5774 9.0738 9.0738 9.1618 9.1618 9.1981 9.1981 11.1311 11.1311 12.0505 12.0505 12.0980 12.0980 12.8158 12.8158 13.4754 13.4754 k = 0.2619 0.1512-0.0000 ( 4653 PWs) bands (ev): -31.0474 -31.0474 -31.0429 -31.0429 -12.3397 -12.3397 -12.3140 -12.3140 -11.9861 -11.9861 -11.9433 -11.9433 -11.9302 -11.9302 -11.9256 -11.9256 -1.5182 -1.5182 -1.2523 -1.2523 3.5112 3.5112 3.5778 3.5778 4.3302 4.3302 4.3789 4.3789 4.5799 4.5799 4.6394 4.6394 5.5248 5.5248 5.5788 5.5788 5.8897 5.8897 6.3079 6.3079 6.9634 6.9634 7.1793 7.1793 7.4483 7.4483 8.9964 8.9964 9.1052 9.1052 9.1796 9.1796 11.1239 11.1239 12.0055 12.0055 12.0921 12.0921 12.8971 12.8971 13.5067 13.5067 k = 0.2738 0.1581-0.0000 ( 4645 PWs) bands (ev): -31.0473 -31.0473 -31.0428 -31.0428 -12.3398 -12.3398 -12.3147 -12.3147 -11.9862 -11.9862 -11.9445 -11.9445 -11.9305 -11.9305 -11.9265 -11.9265 -1.4833 -1.4833 -1.2331 -1.2331 3.5144 3.5144 3.5950 3.5950 4.3323 4.3323 4.3815 4.3815 4.5885 4.5885 4.6400 4.6400 5.5211 5.5211 5.5717 5.5717 5.8958 5.8958 6.3025 6.3025 6.8572 6.8572 7.2296 7.2296 7.3356 7.3356 8.9152 8.9152 9.0225 9.0225 9.1918 9.1918 11.1147 11.1147 11.9350 11.9350 12.1147 12.1147 12.9733 12.9733 13.5383 13.5383 k = 0.2857 0.1650-0.0000 ( 4636 PWs) bands (ev): -31.0472 -31.0472 -31.0428 -31.0428 -12.3400 -12.3400 -12.3153 -12.3153 -11.9863 -11.9863 -11.9456 -11.9456 -11.9306 -11.9306 -11.9273 -11.9273 -1.4482 -1.4482 -1.2140 -1.2140 3.5182 3.5182 3.6131 3.6131 4.3332 4.3332 4.3833 4.3833 4.5961 4.5961 4.6435 4.6435 5.5179 5.5179 5.5650 5.5650 5.9015 5.9015 6.2964 6.2964 6.7531 6.7531 7.1713 7.1713 7.3385 7.3385 8.8311 8.8311 8.9446 8.9446 9.2033 9.2033 11.1039 11.1039 11.8635 11.8635 12.1414 12.1414 13.0442 13.0442 13.5700 13.5700 k = 0.2976 0.1718-0.0000 ( 4642 PWs) bands (ev): -31.0471 -31.0471 -31.0427 -31.0427 -12.3402 -12.3402 -12.3159 -12.3159 -11.9864 -11.9864 -11.9468 -11.9468 -11.9308 -11.9308 -11.9281 -11.9281 -1.4132 -1.4132 -1.1950 -1.1950 3.5227 3.5227 3.6320 3.6320 4.3331 4.3331 4.3842 4.3842 4.6022 4.6022 4.6502 4.6502 5.5153 5.5153 5.5587 5.5587 5.9067 5.9067 6.2895 6.2895 6.6537 6.6537 7.0555 7.0555 7.4043 7.4043 8.7458 8.7458 8.8712 8.8712 9.2134 9.2134 11.0917 11.0917 11.7929 11.7929 12.1705 12.1705 13.1099 13.1099 13.6015 13.6015 k = 0.3095 0.1787-0.0000 ( 4646 PWs) bands (ev): -31.0471 -31.0471 -31.0426 -31.0426 -12.3404 -12.3404 -12.3166 -12.3166 -11.9865 -11.9865 -11.9480 -11.9480 -11.9311 -11.9311 -11.9288 -11.9288 -1.3786 -1.3786 -1.1763 -1.1763 3.5280 3.5280 3.6519 3.6519 4.3320 4.3320 4.3840 4.3840 4.6068 4.6068 4.6596 4.6596 5.5131 5.5131 5.5529 5.5529 5.9109 5.9109 6.2815 6.2815 6.5601 6.5601 6.9390 6.9390 7.4761 7.4761 8.6607 8.6607 8.8013 8.8013 9.2216 9.2216 11.0785 11.0785 11.7238 11.7238 12.2016 12.2016 13.1707 13.1707 13.6325 13.6325 k = 0.3214 0.1856-0.0000 ( 4658 PWs) bands (ev): -31.0470 -31.0470 -31.0426 -31.0426 -12.3405 -12.3405 -12.3172 -12.3172 -11.9867 -11.9867 -11.9491 -11.9491 -11.9313 -11.9313 -11.9295 -11.9295 -1.3443 -1.3443 -1.1580 -1.1580 3.5341 3.5341 3.6728 3.6728 4.3301 4.3301 4.3824 4.3824 4.6101 4.6101 4.6708 4.6708 5.5116 5.5116 5.5478 5.5478 5.9141 5.9141 6.2720 6.2720 6.4735 6.4735 6.8264 6.8264 7.5495 7.5495 8.5770 8.5770 8.7345 8.7345 9.2278 9.2278 11.0645 11.0645 11.6564 11.6564 12.2343 12.2343 13.2270 13.2270 13.6629 13.6629 k = 0.3333 0.1925-0.0000 ( 4658 PWs) bands (ev): -31.0469 -31.0469 -31.0425 -31.0425 -12.3407 -12.3407 -12.3178 -12.3178 -11.9868 -11.9868 -11.9502 -11.9502 -11.9316 -11.9316 -11.9300 -11.9300 -1.3108 -1.3108 -1.1402 -1.1402 3.5409 3.5409 3.6948 3.6948 4.3274 4.3274 4.3794 4.3794 4.6126 4.6126 4.6830 4.6830 5.5106 5.5106 5.5433 5.5433 5.9156 5.9156 6.2592 6.2592 6.3959 6.3959 6.7194 6.7194 7.6233 7.6233 8.4955 8.4955 8.6708 8.6708 9.2317 9.2317 11.0500 11.0500 11.5911 11.5911 12.2682 12.2682 13.2789 13.2789 13.6926 13.6926 k = 0.3452 0.1993-0.0000 ( 4658 PWs) bands (ev): -31.0468 -31.0468 -31.0424 -31.0424 -12.3409 -12.3409 -12.3184 -12.3184 -11.9869 -11.9869 -11.9512 -11.9512 -11.9320 -11.9320 -11.9305 -11.9305 -1.2782 -1.2782 -1.1231 -1.1231 3.5486 3.5486 3.7179 3.7179 4.3240 4.3240 4.3748 4.3748 4.6143 4.6143 4.6954 4.6954 5.5101 5.5101 5.5396 5.5396 5.9149 5.9149 6.2385 6.2385 6.3323 6.3323 6.6192 6.6192 7.6970 7.6970 8.4169 8.4169 8.6101 8.6101 9.2330 9.2330 11.0353 11.0353 11.5282 11.5282 12.3029 12.3029 13.3267 13.3267 13.7211 13.7211 k = 0.3571 0.2062-0.0000 ( 4660 PWs) bands (ev): -31.0467 -31.0467 -31.0424 -31.0424 -12.3411 -12.3411 -12.3189 -12.3189 -11.9871 -11.9871 -11.9522 -11.9522 -11.9324 -11.9324 -11.9308 -11.9308 -1.2468 -1.2468 -1.1067 -1.1067 3.5570 3.5570 3.7421 3.7421 4.3201 4.3201 4.3685 4.3685 4.6152 4.6152 4.7075 4.7075 5.5103 5.5103 5.5367 5.5367 5.9111 5.9111 6.2018 6.2018 6.2909 6.2909 6.5275 6.5275 7.7700 7.7700 8.3417 8.3417 8.5530 8.5530 9.2315 9.2315 11.0205 11.0205 11.4681 11.4681 12.3381 12.3381 13.3705 13.3705 13.7483 13.7484 k = 0.3690 0.2131-0.0000 ( 4672 PWs) bands (ev): -31.0467 -31.0467 -31.0423 -31.0423 -12.3412 -12.3412 -12.3195 -12.3195 -11.9872 -11.9872 -11.9531 -11.9531 -11.9329 -11.9329 -11.9310 -11.9310 -1.2167 -1.2167 -1.0913 -1.0913 3.5660 3.5660 3.7675 3.7675 4.3158 4.3158 4.3604 4.3604 4.6152 4.6152 4.7189 4.7189 5.5109 5.5109 5.5347 5.5347 5.9031 5.9031 6.1528 6.1528 6.2676 6.2676 6.4463 6.4463 7.8415 7.8415 8.2704 8.2704 8.4998 8.4998 9.2272 9.2272 11.0057 11.0057 11.4112 11.4112 12.3733 12.3733 13.4101 13.4101 13.7740 13.7741 k = 0.3810 0.2199-0.0000 ( 4672 PWs) bands (ev): -31.0466 -31.0466 -31.0423 -31.0423 -12.3414 -12.3414 -12.3200 -12.3200 -11.9873 -11.9873 -11.9540 -11.9540 -11.9334 -11.9334 -11.9312 -11.9312 -1.1881 -1.1881 -1.0769 -1.0769 3.5756 3.5756 3.7941 3.7941 4.3112 4.3112 4.3504 4.3504 4.6144 4.6144 4.7292 4.7292 5.5120 5.5120 5.5337 5.5337 5.8898 5.8898 6.1031 6.1031 6.2501 6.2501 6.3785 6.3785 7.9106 7.9106 8.2034 8.2034 8.4513 8.4513 9.2198 9.2198 10.9912 10.9912 11.3579 11.3579 12.4081 12.4081 13.4454 13.4454 13.7981 13.7982 k = 0.3929 0.2268-0.0000 ( 4656 PWs) bands (ev): -31.0466 -31.0466 -31.0422 -31.0422 -12.3415 -12.3415 -12.3204 -12.3204 -11.9873 -11.9873 -11.9548 -11.9548 -11.9338 -11.9338 -11.9313 -11.9313 -1.1613 -1.1613 -1.0637 -1.0637 3.5856 3.5856 3.8216 3.8216 4.3062 4.3062 4.3385 4.3385 4.6129 4.6129 4.7382 4.7382 5.5135 5.5135 5.5336 5.5336 5.8702 5.8702 6.0574 6.0574 6.2317 6.2317 6.3270 6.3270 7.9759 7.9759 8.1412 8.1412 8.4087 8.4087 9.2095 9.2095 10.9770 10.9770 11.3087 11.3087 12.4419 12.4419 13.4762 13.4762 13.8203 13.8204 k = 0.4048 0.2337-0.0000 ( 4656 PWs) bands (ev): -31.0465 -31.0465 -31.0422 -31.0422 -12.3416 -12.3416 -12.3208 -12.3208 -11.9874 -11.9874 -11.9555 -11.9555 -11.9343 -11.9343 -11.9314 -11.9314 -1.1365 -1.1365 -1.0517 -1.0517 3.5958 3.5958 3.8502 3.8502 4.3010 4.3010 4.3247 4.3247 4.6107 4.6107 4.7458 4.7458 5.5153 5.5153 5.5343 5.5343 5.8446 5.8446 6.0167 6.0167 6.2106 6.2106 6.2931 6.2931 8.0343 8.0343 8.0850 8.0850 8.3739 8.3739 9.1964 9.1964 10.9631 10.9631 11.2639 11.2639 12.4744 12.4744 13.5024 13.5024 13.8404 13.8407 k = 0.4167 0.2406-0.0000 ( 4660 PWs) bands (ev): -31.0465 -31.0465 -31.0421 -31.0421 -12.3417 -12.3417 -12.3212 -12.3212 -11.9874 -11.9874 -11.9562 -11.9562 -11.9347 -11.9347 -11.9315 -11.9315 -1.1138 -1.1138 -1.0412 -1.0412 3.6059 3.6059 3.8795 3.8795 4.2949 4.2949 4.3098 4.3098 4.6080 4.6080 4.7517 4.7517 5.5173 5.5173 5.5359 5.5359 5.8143 5.8143 5.9809 5.9809 6.1898 6.1898 6.2727 6.2727 8.0302 8.0302 8.0870 8.0870 8.3504 8.3504 9.1806 9.1806 10.9498 10.9498 11.2241 11.2241 12.5049 12.5049 13.5239 13.5239 13.8584 13.8587 k = 0.4286 0.2474-0.0000 ( 4660 PWs) bands (ev): -31.0464 -31.0464 -31.0421 -31.0421 -12.3418 -12.3418 -12.3215 -12.3215 -11.9875 -11.9875 -11.9567 -11.9567 -11.9350 -11.9350 -11.9316 -11.9316 -1.0934 -1.0934 -1.0321 -1.0321 3.6157 3.6157 3.9092 3.9092 4.2847 4.2847 4.2973 4.2973 4.6051 4.6051 4.7560 4.7560 5.5192 5.5192 5.5382 5.5382 5.7819 5.7819 5.9499 5.9499 6.1732 6.1732 6.2596 6.2596 7.9852 7.9852 8.1202 8.1202 8.3434 8.3434 9.1628 9.1628 10.9371 10.9371 11.1897 11.1897 12.5330 12.5330 13.5408 13.5408 13.8741 13.8743 k = 0.4405 0.2543-0.0000 ( 4648 PWs) bands (ev): -31.0464 -31.0464 -31.0421 -31.0421 -12.3419 -12.3419 -12.3218 -12.3218 -11.9876 -11.9876 -11.9572 -11.9572 -11.9353 -11.9353 -11.9316 -11.9316 -1.0755 -1.0755 -1.0247 -1.0247 3.6248 3.6248 3.9390 3.9390 4.2676 4.2676 4.2904 4.2904 4.6022 4.6022 4.7589 4.7589 5.5210 5.5210 5.5410 5.5410 5.7500 5.7500 5.9240 5.9240 6.1616 6.1616 6.2505 6.2505 7.9457 7.9457 8.1349 8.1349 8.3556 8.3556 9.1436 9.1436 10.9253 10.9253 11.1607 11.1607 12.5581 12.5581 13.5534 13.5534 13.8874 13.8878 k = 0.4524 0.2612-0.0000 ( 4648 PWs) bands (ev): -31.0464 -31.0464 -31.0420 -31.0420 -12.3419 -12.3419 -12.3220 -12.3220 -11.9876 -11.9876 -11.9576 -11.9576 -11.9355 -11.9355 -11.9317 -11.9317 -1.0601 -1.0601 -1.0190 -1.0190 3.6330 3.6330 3.9682 3.9682 4.2476 4.2476 4.2857 4.2857 4.5996 4.5996 4.7606 4.7606 5.5226 5.5226 5.5440 5.5440 5.7209 5.7209 5.9030 5.9030 6.1541 6.1541 6.2436 6.2436 7.9129 7.9129 8.1350 8.1350 8.3814 8.3814 9.1242 9.1242 10.9147 10.9147 11.1373 11.1373 12.5796 12.5796 13.5622 13.5622 13.8984 13.8985 k = 0.4643 0.2681-0.0000 ( 4648 PWs) bands (ev): -31.0463 -31.0463 -31.0420 -31.0420 -12.3420 -12.3420 -12.3222 -12.3222 -11.9877 -11.9877 -11.9579 -11.9579 -11.9357 -11.9357 -11.9317 -11.9317 -1.0475 -1.0475 -1.0150 -1.0150 3.6397 3.6397 3.9959 3.9959 4.2271 4.2271 4.2820 4.2820 4.5973 4.5973 4.7614 4.7614 5.5238 5.5238 5.5469 5.5469 5.6965 5.6965 5.8870 5.8870 6.1496 6.1496 6.2385 6.2385 7.8869 7.8869 8.1287 8.1287 8.4109 8.4109 9.1060 9.1060 10.9058 10.9058 11.1194 11.1194 12.5970 12.5970 13.5679 13.5679 13.9069 13.9083 k = 0.4762 0.2749-0.0000 ( 4646 PWs) bands (ev): -31.0463 -31.0463 -31.0420 -31.0420 -12.3420 -12.3420 -12.3223 -12.3223 -11.9877 -11.9877 -11.9581 -11.9581 -11.9358 -11.9358 -11.9317 -11.9317 -1.0378 -1.0378 -1.0127 -1.0127 3.6449 3.6449 4.0202 4.0202 4.2078 4.2078 4.2793 4.2793 4.5956 4.5956 4.7617 4.7617 5.5246 5.5246 5.5495 5.5495 5.6781 5.6781 5.8757 5.8757 6.1471 6.1471 6.2349 6.2349 7.8682 7.8682 8.1216 8.1216 8.4368 8.4368 9.0909 9.0909 10.8990 10.8990 11.1068 11.1068 12.6098 12.6098 13.5714 13.5714 13.9129 13.9130 k = 0.4881 0.2818-0.0000 ( 4648 PWs) bands (ev): -31.0463 -31.0463 -31.0420 -31.0420 -12.3421 -12.3421 -12.3224 -12.3224 -11.9877 -11.9877 -11.9582 -11.9582 -11.9359 -11.9359 -11.9317 -11.9317 -1.0315 -1.0315 -1.0118 -1.0118 3.6480 3.6480 4.0382 4.0382 4.1929 4.1929 4.2777 4.2777 4.5945 4.5945 4.7617 4.7617 5.5251 5.5251 5.5513 5.5513 5.6667 5.6667 5.8690 5.8690 6.1458 6.1458 6.2327 6.2327 7.8568 7.8568 8.1165 8.1165 8.4542 8.4542 9.0808 9.0808 10.8947 10.8947 11.0994 11.0994 12.6177 12.6177 13.5732 13.5732 13.9166 13.9166 k = 0.5000 0.2887-0.0000 ( 4652 PWs) bands (ev): -31.0463 -31.0463 -31.0420 -31.0420 -12.3421 -12.3421 -12.3224 -12.3224 -11.9877 -11.9877 -11.9583 -11.9583 -11.9360 -11.9360 -11.9318 -11.9318 -1.0292 -1.0292 -1.0117 -1.0117 3.6491 3.6491 4.0451 4.0451 4.1871 4.1871 4.2771 4.2771 4.5941 4.5941 4.7617 4.7617 5.5252 5.5252 5.5520 5.5520 5.6628 5.6628 5.8668 5.8668 6.1455 6.1455 6.2320 6.2320 7.8530 7.8530 8.1147 8.1147 8.4603 8.4603 9.0772 9.0772 10.8933 10.8933 11.0969 11.0969 12.6203 12.6203 13.5737 13.5737 13.9178 13.9180 k = 0.5000 0.2887-0.0000 ( 4652 PWs) bands (ev): -31.0463 -31.0463 -31.0420 -31.0420 -12.3421 -12.3421 -12.3224 -12.3224 -11.9877 -11.9877 -11.9583 -11.9583 -11.9360 -11.9360 -11.9318 -11.9318 -1.0292 -1.0292 -1.0117 -1.0117 3.6491 3.6491 4.0451 4.0451 4.1871 4.1871 4.2771 4.2771 4.5941 4.5941 4.7617 4.7617 5.5252 5.5252 5.5520 5.5520 5.6628 5.6628 5.8668 5.8668 6.1455 6.1455 6.2320 6.2320 7.8530 7.8530 8.1147 8.1147 8.4603 8.4603 9.0772 9.0772 10.8933 10.8933 11.0969 11.0969 12.6203 12.6203 13.5737 13.5737 13.9178 13.9178 k = 0.4931 0.3007-0.0000 ( 4650 PWs) bands (ev): -31.0463 -31.0463 -31.0420 -31.0420 -12.3421 -12.3421 -12.3224 -12.3224 -11.9877 -11.9877 -11.9583 -11.9583 -11.9360 -11.9360 -11.9318 -11.9318 -1.0288 -1.0288 -1.0113 -1.0113 3.6495 3.6495 4.0434 4.0434 4.1864 4.1864 4.2804 4.2804 4.5938 4.5938 4.7626 4.7626 5.5218 5.5218 5.5549 5.5549 5.6626 5.6626 5.8676 5.8676 6.1451 6.1451 6.2321 6.2321 7.8473 7.8473 8.1085 8.1085 8.4591 8.4591 9.0774 9.0774 10.9011 10.9011 11.1020 11.1020 12.6227 12.6227 13.5753 13.5753 13.8922 13.8922 k = 0.4861 0.3127-0.0000 ( 4646 PWs) bands (ev): -31.0463 -31.0463 -31.0420 -31.0420 -12.3421 -12.3421 -12.3224 -12.3224 -11.9877 -11.9877 -11.9582 -11.9582 -11.9360 -11.9360 -11.9319 -11.9319 -1.0277 -1.0277 -1.0102 -1.0102 3.6507 3.6507 4.0385 4.0385 4.1849 4.1849 4.2898 4.2898 4.5929 4.5929 4.7654 4.7654 5.5142 5.5142 5.5613 5.5613 5.6620 5.6620 5.8701 5.8701 6.1439 6.1439 6.2323 6.2323 7.8299 7.8299 8.0901 8.0901 8.4561 8.4561 9.0777 9.0777 10.9231 10.9231 11.1180 11.1180 12.6299 12.6299 13.5802 13.5802 13.8308 13.8308 k = 0.4792 0.3248-0.0000 ( 4638 PWs) bands (ev): -31.0463 -31.0463 -31.0420 -31.0420 -12.3421 -12.3421 -12.3224 -12.3224 -11.9876 -11.9876 -11.9582 -11.9582 -11.9361 -11.9361 -11.9320 -11.9320 -1.0258 -1.0258 -1.0083 -1.0083 3.6528 3.6528 4.0309 4.0309 4.1833 4.1833 4.3041 4.3041 4.5916 4.5916 4.7699 4.7699 5.5049 5.5049 5.5683 5.5683 5.6612 5.6612 5.8744 5.8744 6.1421 6.1421 6.2326 6.2326 7.8009 7.8009 8.0598 8.0598 8.4529 8.4529 9.0782 9.0782 10.9553 10.9553 11.1476 11.1476 12.6415 12.6415 13.5880 13.5880 13.7530 13.7530 k = 0.4722 0.3368-0.0000 ( 4644 PWs) bands (ev): -31.0463 -31.0463 -31.0420 -31.0420 -12.3421 -12.3421 -12.3225 -12.3225 -11.9876 -11.9876 -11.9581 -11.9581 -11.9363 -11.9363 -11.9322 -11.9322 -1.0231 -1.0231 -1.0058 -1.0058 3.6556 3.6556 4.0212 4.0212 4.1821 4.1821 4.3219 4.3219 4.5901 4.5901 4.7758 4.7758 5.4949 5.4949 5.5751 5.5751 5.6602 5.6602 5.8803 5.8803 6.1395 6.1395 6.2330 6.2330 7.7598 7.7598 8.0186 8.0186 8.4512 8.4512 9.0789 9.0789 10.9920 10.9920 11.1938 11.1938 12.6572 12.6572 13.5976 13.5976 13.6685 13.6685 k = 0.4653 0.3488-0.0000 ( 4648 PWs) bands (ev): -31.0463 -31.0463 -31.0420 -31.0420 -12.3421 -12.3421 -12.3225 -12.3225 -11.9875 -11.9875 -11.9580 -11.9580 -11.9365 -11.9365 -11.9326 -11.9326 -1.0198 -1.0198 -1.0025 -1.0025 3.6594 3.6594 4.0099 4.0099 4.1814 4.1814 4.3423 4.3423 4.5886 4.5886 4.7829 4.7829 5.4847 5.4847 5.5810 5.5810 5.6594 5.6594 5.8880 5.8880 6.1364 6.1364 6.2335 6.2335 7.7065 7.7065 7.9687 7.9687 8.4518 8.4518 9.0795 9.0795 11.0287 11.0287 11.2585 11.2585 12.6763 12.6763 13.5722 13.5722 13.6176 13.6176 k = 0.4583 0.3608-0.0000 ( 4653 PWs) bands (ev): -31.0463 -31.0463 -31.0420 -31.0420 -12.3421 -12.3421 -12.3226 -12.3226 -11.9874 -11.9874 -11.9579 -11.9579 -11.9367 -11.9367 -11.9329 -11.9329 -1.0159 -1.0159 -0.9986 -0.9986 3.6640 3.6640 3.9977 3.9977 4.1812 4.1812 4.3646 4.3646 4.5874 4.5874 4.7909 4.7909 5.4743 5.4743 5.5857 5.5857 5.6591 5.6591 5.8974 5.8974 6.1327 6.1327 6.2340 6.2340 7.6414 7.6414 7.9126 7.9126 8.4554 8.4554 9.0801 9.0801 11.0641 11.0641 11.3401 11.3401 12.6981 12.6981 13.4838 13.4838 13.6297 13.6297 k = 0.4514 0.3729-0.0000 ( 4651 PWs) bands (ev): -31.0463 -31.0463 -31.0419 -31.0419 -12.3421 -12.3421 -12.3226 -12.3226 -11.9873 -11.9873 -11.9578 -11.9578 -11.9370 -11.9370 -11.9333 -11.9333 -1.0114 -1.0114 -0.9940 -0.9940 3.6696 3.6696 3.9850 3.9850 4.1814 4.1814 4.3882 4.3882 4.5868 4.5868 4.7996 4.7996 5.4639 5.4639 5.5886 5.5886 5.6598 5.6598 5.9085 5.9085 6.1286 6.1286 6.2346 6.2346 7.5652 7.5652 7.8524 7.8524 8.4617 8.4617 9.0805 9.0805 11.0993 11.0993 11.4347 11.4347 12.7219 12.7219 13.3923 13.3923 13.6449 13.6449 k = 0.4444 0.3849-0.0000 ( 4651 PWs) bands (ev): -31.0462 -31.0462 -31.0419 -31.0419 -12.3422 -12.3422 -12.3227 -12.3227 -11.9872 -11.9872 -11.9576 -11.9576 -11.9373 -11.9373 -11.9337 -11.9337 -1.0063 -1.0063 -0.9889 -0.9889 3.6762 3.6762 3.9723 3.9723 4.1816 4.1816 4.4123 4.4123 4.5874 4.5874 4.8086 4.8086 5.4537 5.4537 5.5896 5.5896 5.6619 5.6619 5.9214 5.9214 6.1242 6.1242 6.2351 6.2351 7.4796 7.4796 7.7896 7.7896 8.4706 8.4706 9.0806 9.0806 11.1354 11.1354 11.5385 11.5385 12.7468 12.7468 13.3007 13.3007 13.6593 13.6593 k = 0.4375 0.3969-0.0000 ( 4651 PWs) bands (ev): -31.0462 -31.0462 -31.0419 -31.0419 -12.3422 -12.3422 -12.3228 -12.3228 -11.9871 -11.9871 -11.9575 -11.9575 -11.9375 -11.9375 -11.9341 -11.9341 -1.0008 -1.0008 -0.9833 -0.9833 3.6838 3.6838 3.9597 3.9597 4.1816 4.1816 4.4361 4.4361 4.5897 4.5897 4.8178 4.8178 5.4436 5.4436 5.5883 5.5883 5.6655 5.6655 5.9360 5.9360 6.1196 6.1196 6.2357 6.2357 7.3868 7.3868 7.7248 7.7248 8.4819 8.4819 9.0802 9.0802 11.1735 11.1735 11.6481 11.6481 12.7718 12.7718 13.2097 13.2097 13.6705 13.6705 k = 0.4306 0.4090-0.0000 ( 4653 PWs) bands (ev): -31.0462 -31.0462 -31.0419 -31.0419 -12.3422 -12.3422 -12.3229 -12.3229 -11.9870 -11.9870 -11.9573 -11.9573 -11.9378 -11.9378 -11.9346 -11.9346 -0.9950 -0.9950 -0.9773 -0.9773 3.6924 3.6924 3.9476 3.9476 4.1813 4.1813 4.4587 4.4587 4.5944 4.5944 4.8272 4.8272 5.4338 5.4338 5.5851 5.5851 5.6708 5.6708 5.9521 5.9521 6.1149 6.1149 6.2362 6.2362 7.2892 7.2892 7.6584 7.6584 8.4953 8.4953 9.0791 9.0791 11.2140 11.2140 11.7611 11.7611 12.7957 12.7957 13.1202 13.1202 13.6757 13.6757 k = 0.4236 0.4210-0.0000 ( 4663 PWs) bands (ev): -31.0462 -31.0462 -31.0419 -31.0419 -12.3422 -12.3422 -12.3230 -12.3230 -11.9869 -11.9869 -11.9572 -11.9572 -11.9382 -11.9382 -11.9351 -11.9351 -0.9888 -0.9888 -0.9709 -0.9709 3.7020 3.7020 3.9362 3.9362 4.1805 4.1805 4.4786 4.4786 4.6026 4.6026 4.8367 4.8367 5.4244 5.4244 5.5801 5.5801 5.6774 5.6774 5.9696 5.9696 6.1105 6.1105 6.2367 6.2367 7.1889 7.1889 7.5904 7.5904 8.5106 8.5106 9.0772 9.0772 11.2572 11.2572 11.8753 11.8753 12.8168 12.8168 13.0333 13.0333 13.6725 13.6725 k = 0.4167 0.4330-0.0000 ( 4657 PWs) bands (ev): -31.0462 -31.0462 -31.0419 -31.0419 -12.3423 -12.3423 -12.3231 -12.3231 -11.9868 -11.9868 -11.9570 -11.9570 -11.9386 -11.9386 -11.9357 -11.9357 -0.9825 -0.9825 -0.9642 -0.9642 3.7126 3.7126 3.9255 3.9255 4.1789 4.1789 4.4947 4.4947 4.6150 4.6150 4.8464 4.8464 5.4152 5.4152 5.5737 5.5737 5.6852 5.6852 5.9879 5.9879 6.1067 6.1067 6.2373 6.2373 7.0881 7.0881 7.5212 7.5212 8.5278 8.5278 9.0742 9.0742 11.3030 11.3030 11.9888 11.9888 12.8302 12.8302 12.9537 12.9537 13.6599 13.6599 k = 0.4097 0.4450-0.0000 ( 4661 PWs) bands (ev): -31.0462 -31.0462 -31.0419 -31.0419 -12.3423 -12.3423 -12.3231 -12.3231 -11.9867 -11.9867 -11.9568 -11.9568 -11.9389 -11.9389 -11.9362 -11.9362 -0.9761 -0.9761 -0.9573 -0.9573 3.7242 3.7242 3.9157 3.9157 4.1764 4.1764 4.5067 4.5067 4.6314 4.6314 4.8566 4.8566 5.4065 5.4065 5.5661 5.5661 5.6939 5.6939 6.0062 6.0062 6.1039 6.1039 6.2381 6.2381 6.9888 6.9888 7.4509 7.4509 8.5467 8.5467 9.0701 9.0701 11.3515 11.3515 12.1004 12.1004 12.8126 12.8126 12.9045 12.9045 13.6383 13.6383 k = 0.4028 0.4571-0.0000 ( 4665 PWs) bands (ev): -31.0461 -31.0461 -31.0418 -31.0418 -12.3424 -12.3424 -12.3232 -12.3232 -11.9866 -11.9866 -11.9566 -11.9566 -11.9393 -11.9393 -11.9367 -11.9367 -0.9697 -0.9697 -0.9504 -0.9504 3.7366 3.7366 3.9069 3.9069 4.1730 4.1730 4.5150 4.5150 4.6505 4.6505 4.8676 4.8676 5.3983 5.3983 5.5578 5.5578 5.7034 5.7034 6.0231 6.0231 6.1030 6.1030 6.2394 6.2394 6.8928 6.8928 7.3799 7.3799 8.5671 8.5671 9.0646 9.0646 11.4026 11.4026 12.2086 12.2086 12.7474 12.7474 12.9019 12.9019 13.6095 13.6095 k = 0.3958 0.4691-0.0000 ( 4661 PWs) bands (ev): -31.0461 -31.0461 -31.0418 -31.0418 -12.3424 -12.3424 -12.3233 -12.3233 -11.9864 -11.9864 -11.9564 -11.9564 -11.9396 -11.9396 -11.9372 -11.9372 -0.9634 -0.9634 -0.9435 -0.9435 3.7498 3.7498 3.8993 3.8993 4.1685 4.1685 4.5208 4.5208 4.6706 4.6706 4.8798 4.8798 5.3905 5.3905 5.5488 5.5488 5.7136 5.7136 6.0365 6.0365 6.1047 6.1047 6.2418 6.2418 6.8023 6.8023 7.3085 7.3085 8.5891 8.5891 9.0576 9.0576 11.4560 11.4560 12.3122 12.3122 12.6695 12.6695 12.9114 12.9114 13.5753 13.5753 k = 0.3889 0.4811-0.0000 ( 4665 PWs) bands (ev): -31.0461 -31.0461 -31.0418 -31.0418 -12.3424 -12.3424 -12.3234 -12.3234 -11.9863 -11.9863 -11.9563 -11.9563 -11.9399 -11.9399 -11.9377 -11.9377 -0.9573 -0.9573 -0.9368 -0.9368 3.7636 3.7636 3.8928 3.8928 4.1629 4.1629 4.5249 4.5249 4.6898 4.6898 4.8934 4.8934 5.3831 5.3831 5.5395 5.5395 5.7243 5.7243 6.0447 6.0447 6.1088 6.1088 6.2462 6.2462 6.7197 6.7197 7.2371 7.2371 8.6125 8.6125 9.0489 9.0489 11.5115 11.5115 12.4086 12.4086 12.5925 12.5925 12.9212 12.9212 13.5373 13.5373 k = 0.3819 0.4932-0.0000 ( 4679 PWs) bands (ev): -31.0461 -31.0461 -31.0418 -31.0418 -12.3425 -12.3425 -12.3235 -12.3235 -11.9862 -11.9862 -11.9562 -11.9562 -11.9402 -11.9402 -11.9382 -11.9382 -0.9516 -0.9516 -0.9305 -0.9305 3.7776 3.7776 3.8877 3.8877 4.1561 4.1561 4.5281 4.5281 4.7070 4.7070 4.9087 4.9087 5.3763 5.3763 5.5299 5.5299 5.7357 5.7357 6.0482 6.0482 6.1122 6.1122 6.2536 6.2536 6.6479 6.6479 7.1663 7.1663 8.6370 8.6370 9.0383 9.0383 11.5688 11.5688 12.4719 12.4719 12.5437 12.5437 12.9293 12.9293 13.4968 13.4968 k = 0.3750 0.5052-0.0000 ( 4683 PWs) bands (ev): -31.0461 -31.0461 -31.0418 -31.0418 -12.3425 -12.3425 -12.3236 -12.3236 -11.9862 -11.9862 -11.9561 -11.9561 -11.9405 -11.9405 -11.9386 -11.9386 -0.9462 -0.9462 -0.9245 -0.9245 3.7913 3.7913 3.8843 3.8843 4.1484 4.1484 4.5306 4.5306 4.7212 4.7212 4.9254 4.9254 5.3701 5.3701 5.5205 5.5205 5.7475 5.7475 6.0486 6.0486 6.1106 6.1106 6.2639 6.2639 6.5904 6.5904 7.0966 7.0966 8.6626 8.6626 9.0258 9.0258 11.6278 11.6278 12.4199 12.4199 12.6055 12.6055 12.9352 12.9352 13.4552 13.4552 k = 0.3681 0.5172-0.0000 ( 4679 PWs) bands (ev): -31.0461 -31.0461 -31.0418 -31.0418 -12.3425 -12.3425 -12.3237 -12.3237 -11.9861 -11.9861 -11.9560 -11.9560 -11.9407 -11.9407 -11.9390 -11.9390 -0.9414 -0.9414 -0.9191 -0.9191 3.8041 3.8041 3.8828 3.8828 4.1398 4.1398 4.5328 4.5328 4.7324 4.7324 4.9425 4.9425 5.3645 5.3645 5.5114 5.5114 5.7599 5.7599 6.0476 6.0476 6.1015 6.1015 6.2752 6.2752 6.5513 6.5513 7.0288 7.0288 8.6888 8.6888 9.0115 9.0115 11.6880 11.6880 12.3468 12.3468 12.6830 12.6830 12.9390 12.9390 13.4136 13.4136 k = 0.3611 0.5292-0.0000 ( 4673 PWs) bands (ev): -31.0461 -31.0461 -31.0418 -31.0418 -12.3425 -12.3425 -12.3238 -12.3238 -11.9860 -11.9860 -11.9559 -11.9559 -11.9408 -11.9408 -11.9393 -11.9393 -0.9372 -0.9372 -0.9144 -0.9144 3.8149 3.8149 3.8836 3.8836 4.1308 4.1308 4.5347 4.5347 4.7408 4.7408 4.9589 4.9589 5.3596 5.3596 5.5031 5.5031 5.7725 5.7725 6.0459 6.0459 6.0855 6.0855 6.2841 6.2841 6.5332 6.5332 6.9638 6.9638 8.7153 8.7153 8.9954 8.9954 11.7492 11.7492 12.2737 12.2737 12.7541 12.7541 12.9413 12.9413 13.3736 13.3736 k = 0.3542 0.5413-0.0000 ( 4679 PWs) bands (ev): -31.0461 -31.0461 -31.0418 -31.0418 -12.3425 -12.3425 -12.3239 -12.3239 -11.9859 -11.9859 -11.9558 -11.9558 -11.9409 -11.9409 -11.9396 -11.9396 -0.9337 -0.9337 -0.9106 -0.9106 3.8230 3.8230 3.8868 3.8868 4.1219 4.1219 4.5363 4.5363 4.7466 4.7466 4.9733 4.9733 5.3556 5.3556 5.4958 5.4958 5.7848 5.7848 6.0439 6.0439 6.0657 6.0657 6.2887 6.2887 6.5352 6.5352 6.9033 6.9033 8.7410 8.7410 8.9782 8.9782 11.8109 11.8109 12.2024 12.2024 12.8146 12.8146 12.9429 12.9429 13.3371 13.3371 k = 0.3472 0.5533-0.0000 ( 4665 PWs) bands (ev): -31.0460 -31.0460 -31.0417 -31.0417 -12.3425 -12.3425 -12.3239 -12.3239 -11.9859 -11.9859 -11.9558 -11.9558 -11.9410 -11.9410 -11.9398 -11.9398 -0.9310 -0.9310 -0.9077 -0.9077 3.8281 3.8281 3.8916 3.8916 4.1140 4.1140 4.5376 4.5376 4.7505 4.7505 4.9844 4.9844 5.3524 5.3524 5.4902 5.4902 5.7957 5.7957 6.0409 6.0409 6.0477 6.0477 6.2897 6.2897 6.5510 6.5510 6.8502 6.8502 8.7646 8.7646 8.9611 8.9611 11.8728 11.8728 12.1337 12.1337 12.8602 12.8602 12.9457 12.9457 13.3069 13.3069 k = 0.3403 0.5653-0.0000 ( 4665 PWs) bands (ev): -31.0460 -31.0460 -31.0417 -31.0417 -12.3425 -12.3425 -12.3239 -12.3239 -11.9858 -11.9858 -11.9558 -11.9558 -11.9411 -11.9411 -11.9399 -11.9399 -0.9294 -0.9294 -0.9059 -0.9059 3.8306 3.8306 3.8962 3.8962 4.1083 4.1083 4.5385 4.5385 4.7526 4.7526 4.9913 4.9913 5.3505 5.3505 5.4865 5.4865 5.8034 5.8034 6.0308 6.0308 6.0425 6.0425 6.2894 6.2894 6.5703 6.5703 6.8106 6.8106 8.7828 8.7828 8.9470 8.9470 11.9335 11.9335 12.0689 12.0689 12.8854 12.8854 12.9515 12.9515 13.2867 13.2867 k = 0.3333 0.5774-0.0000 ( 4665 PWs) bands (ev): -31.0460 -31.0460 -31.0417 -31.0417 -12.3425 -12.3425 -12.3239 -12.3239 -11.9858 -11.9858 -11.9558 -11.9558 -11.9411 -11.9411 -11.9400 -11.9400 -0.9288 -0.9288 -0.9053 -0.9053 3.8313 3.8313 3.8982 3.8982 4.1061 4.1061 4.5388 4.5388 4.7533 4.7533 4.9936 4.9936 5.3498 5.3498 5.4852 5.4852 5.8062 5.8062 6.0260 6.0260 6.0417 6.0417 6.2891 6.2891 6.5795 6.5795 6.7949 6.7949 8.7902 8.7902 8.9411 8.9411 11.9770 11.9770 12.0241 12.0241 12.8920 12.8920 12.9555 12.9555 13.2797 13.2797 k = 0.3333 0.5774-0.0000 ( 4665 PWs) bands (ev): -31.0460 -31.0460 -31.0417 -31.0417 -12.3425 -12.3425 -12.3239 -12.3239 -11.9858 -11.9858 -11.9558 -11.9558 -11.9411 -11.9411 -11.9400 -11.9400 -0.9288 -0.9288 -0.9053 -0.9053 3.8313 3.8313 3.8982 3.8982 4.1061 4.1061 4.5388 4.5388 4.7533 4.7533 4.9936 4.9936 5.3498 5.3498 5.4852 5.4852 5.8062 5.8062 6.0260 6.0260 6.0417 6.0417 6.2891 6.2891 6.5795 6.5795 6.7949 6.7949 8.7902 8.7902 8.9411 8.9411 11.9770 11.9770 12.0241 12.0241 12.8920 12.8920 12.9555 12.9555 13.2797 13.2797 k = 0.3264 0.5653-0.0000 ( 4665 PWs) bands (ev): -31.0460 -31.0460 -31.0417 -31.0417 -12.3425 -12.3425 -12.3239 -12.3239 -11.9858 -11.9858 -11.9558 -11.9558 -11.9411 -11.9411 -11.9399 -11.9399 -0.9294 -0.9294 -0.9060 -0.9060 3.8307 3.8307 3.8957 3.8957 4.1086 4.1086 4.5384 4.5384 4.7526 4.7526 4.9914 4.9914 5.3505 5.3505 5.4866 5.4866 5.8036 5.8036 6.0297 6.0297 6.0434 6.0434 6.2895 6.2895 6.5700 6.5700 6.8108 6.8108 8.7820 8.7820 8.9477 8.9477 11.9350 11.9350 12.0674 12.0674 12.8877 12.8877 12.9501 12.9501 13.2858 13.2858 k = 0.3194 0.5533-0.0000 ( 4671 PWs) bands (ev): -31.0460 -31.0460 -31.0417 -31.0417 -12.3425 -12.3425 -12.3239 -12.3239 -11.9859 -11.9859 -11.9558 -11.9558 -11.9410 -11.9410 -11.9398 -11.9398 -0.9314 -0.9314 -0.9079 -0.9079 3.8290 3.8290 3.8882 3.8882 4.1161 4.1161 4.5372 4.5372 4.7508 4.7508 4.9854 4.9854 5.3525 5.3525 5.4909 5.4909 5.7967 5.7967 6.0339 6.0339 6.0539 6.0539 6.2903 6.2903 6.5492 6.5492 6.8515 6.8515 8.7593 8.7593 8.9657 8.9657 11.8791 11.8791 12.1275 12.1275 12.8762 12.8762 12.9354 12.9354 13.3005 13.3005 k = 0.3125 0.5413-0.0000 ( 4667 PWs) bands (ev): -31.0461 -31.0461 -31.0417 -31.0417 -12.3425 -12.3425 -12.3238 -12.3238 -11.9859 -11.9859 -11.9558 -11.9558 -11.9409 -11.9409 -11.9397 -11.9397 -0.9349 -0.9349 -0.9111 -0.9111 3.8261 3.8261 3.8759 3.8759 4.1281 4.1281 4.5350 4.5350 4.7479 4.7479 4.9765 4.9765 5.3557 5.3557 5.4984 5.4984 5.7879 5.7879 6.0347 6.0347 6.0732 6.0732 6.2907 6.2907 6.5296 6.5296 6.9069 6.9069 8.7266 8.7266 8.9903 8.9903 11.8253 11.8253 12.1886 12.1886 12.8575 12.8575 12.9175 12.9175 13.3176 13.3176 k = 0.3056 0.5292-0.0000 ( 4681 PWs) bands (ev): -31.0461 -31.0461 -31.0418 -31.0418 -12.3425 -12.3425 -12.3238 -12.3238 -11.9860 -11.9860 -11.9558 -11.9558 -11.9408 -11.9408 -11.9394 -11.9394 -0.9402 -0.9402 -0.9156 -0.9156 3.8214 3.8214 3.8604 3.8604 4.1435 4.1435 4.5318 4.5318 4.7439 4.7439 4.9656 4.9656 5.3598 5.3598 5.5091 5.5091 5.7789 5.7789 6.0347 6.0347 6.0947 6.0947 6.2889 6.2889 6.5209 6.5209 6.9708 6.9708 8.6869 8.6869 9.0181 9.0181 11.7748 11.7748 12.2495 12.2495 12.8309 12.8309 12.9012 12.9012 13.3318 13.3318 k = 0.2986 0.5172-0.0000 ( 4677 PWs) bands (ev): -31.0461 -31.0461 -31.0418 -31.0418 -12.3425 -12.3425 -12.3236 -12.3236 -11.9861 -11.9861 -11.9557 -11.9557 -11.9406 -11.9406 -11.9391 -11.9391 -0.9474 -0.9474 -0.9212 -0.9212 3.8136 3.8136 3.8442 3.8442 4.1613 4.1613 4.5275 4.5275 4.7391 4.7391 4.9537 4.9537 5.3646 5.3646 5.5228 5.5228 5.7711 5.7711 6.0345 6.0345 6.1144 6.1144 6.2836 6.2836 6.5290 6.5290 7.0407 7.0407 8.6421 8.6421 9.0472 9.0472 11.7282 11.7282 12.3101 12.3101 12.7984 12.7984 12.8875 12.8875 13.3394 13.3394 k = 0.2917 0.5052-0.0000 ( 4675 PWs) bands (ev): -31.0461 -31.0461 -31.0418 -31.0418 -12.3424 -12.3424 -12.3235 -12.3235 -11.9861 -11.9861 -11.9556 -11.9556 -11.9403 -11.9403 -11.9388 -11.9388 -0.9566 -0.9566 -0.9280 -0.9280 3.7998 3.7998 3.8308 3.8308 4.1804 4.1804 4.5222 4.5222 4.7336 4.7336 4.9412 4.9412 5.3696 5.3696 5.5391 5.5391 5.7656 5.7656 6.0348 6.0348 6.1301 6.1301 6.2756 6.2756 6.5559 6.5559 7.1151 7.1151 8.5929 8.5929 9.0765 9.0765 11.6857 11.6857 12.3703 12.3703 12.7627 12.7627 12.8755 12.8755 13.3378 13.3378 k = 0.2847 0.4932-0.0000 ( 4683 PWs) bands (ev): -31.0461 -31.0461 -31.0418 -31.0418 -12.3424 -12.3424 -12.3233 -12.3233 -11.9862 -11.9862 -11.9555 -11.9555 -11.9401 -11.9401 -11.9385 -11.9385 -0.9680 -0.9680 -0.9358 -0.9358 3.7801 3.7801 3.8210 3.8210 4.2000 4.2000 4.5160 4.5160 4.7274 4.7274 4.9287 4.9287 5.3747 5.3747 5.5570 5.5570 5.7633 5.7633 6.0358 6.0358 6.1413 6.1413 6.2673 6.2673 6.5996 6.5996 7.1932 7.1932 8.5400 8.5400 9.1052 9.1052 11.6476 11.6476 12.4300 12.4300 12.7256 12.7256 12.8645 12.8645 13.3254 13.3254 k = 0.2778 0.4811-0.0000 ( 4677 PWs) bands (ev): -31.0461 -31.0461 -31.0419 -31.0419 -12.3423 -12.3423 -12.3231 -12.3231 -11.9862 -11.9862 -11.9553 -11.9553 -11.9397 -11.9397 -11.9381 -11.9381 -0.9816 -0.9816 -0.9447 -0.9447 3.7573 3.7573 3.8127 3.8127 4.2195 4.2195 4.5091 4.5091 4.7207 4.7207 4.9163 4.9163 5.3795 5.3795 5.5751 5.5751 5.7654 5.7654 6.0387 6.0387 6.1489 6.1489 6.2612 6.2612 6.6567 6.6567 7.2746 7.2746 8.4836 8.4836 9.1329 9.1329 11.6143 11.6143 12.4892 12.4892 12.6884 12.6884 12.8542 12.8542 13.3016 13.3016 k = 0.2708 0.4691-0.0000 ( 4681 PWs) bands (ev): -31.0462 -31.0462 -31.0419 -31.0419 -12.3423 -12.3423 -12.3229 -12.3229 -11.9863 -11.9863 -11.9551 -11.9551 -11.9393 -11.9393 -11.9377 -11.9377 -0.9975 -0.9975 -0.9546 -0.9546 3.7334 3.7334 3.8043 3.8043 4.2384 4.2384 4.5018 4.5018 4.7134 4.7134 4.9042 4.9042 5.3838 5.3838 5.5914 5.5914 5.7729 5.7729 6.0446 6.0446 6.1547 6.1547 6.2587 6.2587 6.7244 6.7244 7.3588 7.3588 8.4243 8.4243 9.1590 9.1590 11.5861 11.5861 12.5471 12.5471 12.6521 12.6521 12.8447 12.8447 13.2669 13.2669 k = 0.2639 0.4571-0.0000 ( 4675 PWs) bands (ev): -31.0462 -31.0462 -31.0419 -31.0419 -12.3422 -12.3422 -12.3226 -12.3226 -11.9863 -11.9863 -11.9548 -11.9548 -11.9388 -11.9388 -11.9373 -11.9373 -1.0156 -1.0156 -0.9655 -0.9655 3.7094 3.7094 3.7953 3.7953 4.2564 4.2564 4.4942 4.4942 4.7055 4.7055 4.8923 4.8923 5.3874 5.3874 5.6042 5.6042 5.7862 5.7862 6.0551 6.0551 6.1606 6.1606 6.2598 6.2598 6.8002 6.8002 7.4458 7.4458 8.3622 8.3622 9.1832 9.1832 11.5633 11.5633 12.5961 12.5961 12.6240 12.6240 12.8364 12.8364 13.2224 13.2224 k = 0.2569 0.4450-0.0000 ( 4679 PWs) bands (ev): -31.0463 -31.0463 -31.0420 -31.0420 -12.3421 -12.3421 -12.3223 -12.3223 -11.9864 -11.9864 -11.9545 -11.9545 -11.9384 -11.9384 -11.9368 -11.9368 -1.0358 -1.0358 -0.9775 -0.9775 3.6858 3.6858 3.7855 3.7855 4.2732 4.2732 4.4866 4.4866 4.6967 4.6967 4.8804 4.8804 5.3904 5.3904 5.6129 5.6129 5.8040 5.8040 6.0719 6.0719 6.1686 6.1686 6.2648 6.2648 6.8825 6.8825 7.5352 7.5352 8.2976 8.2976 9.2050 9.2050 11.5462 11.5462 12.5765 12.5765 12.6627 12.6627 12.8303 12.8303 13.1697 13.1697 k = 0.2500 0.4330-0.0000 ( 4683 PWs) bands (ev): -31.0463 -31.0463 -31.0420 -31.0420 -12.3420 -12.3420 -12.3219 -12.3219 -11.9864 -11.9864 -11.9541 -11.9541 -11.9379 -11.9379 -11.9364 -11.9364 -1.0581 -1.0581 -0.9905 -0.9905 3.6632 3.6632 3.7750 3.7750 4.2886 4.2886 4.4793 4.4793 4.6871 4.6871 4.8684 4.8684 5.3929 5.3929 5.6180 5.6180 5.8241 5.8241 6.0958 6.0958 6.1798 6.1798 6.2744 6.2744 6.9702 6.9702 7.6270 7.6270 8.2307 8.2307 9.2242 9.2242 11.5349 11.5349 12.5434 12.5434 12.7088 12.7088 12.8296 12.8296 13.1115 13.1115 k = 0.2431 0.4210-0.0000 ( 4671 PWs) bands (ev): -31.0464 -31.0464 -31.0421 -31.0421 -12.3418 -12.3418 -12.3215 -12.3215 -11.9864 -11.9864 -11.9536 -11.9536 -11.9373 -11.9373 -11.9359 -11.9359 -1.0823 -1.0823 -1.0045 -1.0045 3.6417 3.6417 3.7636 3.7636 4.3025 4.3025 4.4722 4.4722 4.6766 4.6766 4.8561 4.8561 5.3952 5.3952 5.6204 5.6204 5.8438 5.8438 6.1266 6.1266 6.1945 6.1945 6.2909 6.2909 7.0623 7.0623 7.7209 7.7209 8.1620 8.1620 9.2405 9.2405 11.5297 11.5297 12.5109 12.5109 12.7390 12.7390 12.8402 12.8402 13.0524 13.0524 k = 0.2361 0.4090-0.0000 ( 4665 PWs) bands (ev): -31.0464 -31.0464 -31.0421 -31.0421 -12.3417 -12.3417 -12.3211 -12.3211 -11.9865 -11.9865 -11.9531 -11.9531 -11.9368 -11.9368 -11.9354 -11.9354 -1.1084 -1.1084 -1.0195 -1.0195 3.6216 3.6216 3.7514 3.7514 4.3149 4.3149 4.4655 4.4655 4.6654 4.6654 4.8432 4.8432 5.3976 5.3976 5.6211 5.6211 5.8612 5.8612 6.1623 6.1623 6.2111 6.2111 6.3187 6.3187 7.1582 7.1582 7.8169 7.8169 8.0916 8.0916 9.2538 9.2538 11.5306 11.5306 12.4795 12.4795 12.7472 12.7472 12.8546 12.8546 13.0062 13.0062 k = 0.2292 0.3969-0.0000 ( 4661 PWs) bands (ev): -31.0465 -31.0465 -31.0421 -31.0421 -12.3415 -12.3415 -12.3207 -12.3207 -11.9864 -11.9864 -11.9525 -11.9525 -11.9362 -11.9362 -11.9348 -11.9348 -1.1362 -1.1362 -1.0353 -1.0353 3.6031 3.6031 3.7386 3.7386 4.3259 4.3259 4.4590 4.4590 4.6536 4.6536 4.8295 4.8295 5.4004 5.4004 5.6207 5.6207 5.8756 5.8756 6.2004 6.2004 6.2283 6.2283 6.3619 6.3619 7.2574 7.2574 7.9145 7.9145 8.0201 8.0201 9.2639 9.2639 11.5379 11.5379 12.4495 12.4495 12.7402 12.7402 12.8351 12.8351 13.0044 13.0044 k = 0.2222 0.3849-0.0000 ( 4665 PWs) bands (ev): -31.0465 -31.0465 -31.0422 -31.0422 -12.3414 -12.3414 -12.3202 -12.3202 -11.9865 -11.9865 -11.9519 -11.9519 -11.9357 -11.9357 -11.9342 -11.9342 -1.1656 -1.1656 -1.0520 -1.0520 3.5862 3.5862 3.7252 3.7252 4.3354 4.3354 4.4528 4.4528 4.6415 4.6415 4.8149 4.8149 5.4039 5.4039 5.6196 5.6196 5.8868 5.8868 6.2300 6.2300 6.2555 6.2555 6.4211 6.4211 7.3595 7.3595 7.9453 7.9453 8.0163 8.0163 9.2707 9.2707 11.5513 11.5513 12.4208 12.4208 12.7179 12.7179 12.7865 12.7865 13.0426 13.0426 k = 0.2153 0.3729-0.0000 ( 4671 PWs) bands (ev): -31.0466 -31.0466 -31.0423 -31.0423 -12.3413 -12.3413 -12.3197 -12.3197 -11.9865 -11.9865 -11.9512 -11.9512 -11.9352 -11.9352 -11.9336 -11.9336 -1.1964 -1.1964 -1.0694 -1.0694 3.5711 3.5711 3.7112 3.7112 4.3436 4.3436 4.4466 4.4466 4.6295 4.6295 4.7993 4.7993 5.4084 5.4084 5.6181 5.6181 5.8949 5.8949 6.2435 6.2435 6.3021 6.3021 6.4937 6.4937 7.4639 7.4639 7.8721 7.8721 8.1172 8.1172 9.2743 9.2743 11.5708 11.5708 12.3932 12.3932 12.6657 12.6657 12.7505 12.7505 13.0938 13.0938 k = 0.2083 0.3608-0.0000 ( 4675 PWs) bands (ev): -31.0467 -31.0467 -31.0423 -31.0423 -12.3411 -12.3411 -12.3192 -12.3192 -11.9865 -11.9865 -11.9504 -11.9504 -11.9347 -11.9347 -11.9329 -11.9329 -1.2285 -1.2285 -1.0875 -1.0875 3.5577 3.5577 3.6969 3.6969 4.3505 4.3505 4.4403 4.4403 4.6179 4.6179 4.7829 4.7829 5.4140 5.4140 5.6164 5.6164 5.9002 5.9002 6.2530 6.2530 6.3578 6.3578 6.5766 6.5766 7.5703 7.5703 7.7980 7.7980 8.2205 8.2205 9.2748 9.2748 11.5963 11.5963 12.3665 12.3665 12.5913 12.5913 12.7293 12.7293 13.1479 13.1479 k = 0.2014 0.3488-0.0000 ( 4667 PWs) bands (ev): -31.0468 -31.0468 -31.0424 -31.0424 -12.3409 -12.3409 -12.3186 -12.3186 -11.9864 -11.9864 -11.9496 -11.9496 -11.9342 -11.9342 -11.9321 -11.9321 -1.2616 -1.2616 -1.1062 -1.1062 3.5460 3.5460 3.6822 3.6822 4.3563 4.3563 4.4337 4.4337 4.6071 4.6071 4.7658 4.7658 5.4207 5.4207 5.6147 5.6147 5.9031 5.9031 6.2612 6.2612 6.4209 6.4209 6.6677 6.6677 7.6751 7.6751 7.7270 7.7270 8.3254 8.3254 9.2724 9.2724 11.6274 11.6274 12.3398 12.3398 12.5107 12.5107 12.7107 12.7107 13.2013 13.2013 k = 0.1944 0.3368-0.0000 ( 4663 PWs) bands (ev): -31.0469 -31.0469 -31.0425 -31.0425 -12.3408 -12.3408 -12.3180 -12.3180 -11.9864 -11.9864 -11.9487 -11.9487 -11.9338 -11.9338 -11.9314 -11.9314 -1.2957 -1.2957 -1.1254 -1.1254 3.5360 3.5360 3.6672 3.6672 4.3609 4.3609 4.4267 4.4267 4.5973 4.5973 4.7485 4.7485 5.4284 5.4284 5.6131 5.6131 5.9041 5.9041 6.2687 6.2687 6.4911 6.4911 6.7654 6.7654 7.6452 7.6452 7.7922 7.7922 8.4316 8.4316 9.2672 9.2672 11.6636 11.6636 12.3106 12.3106 12.4314 12.4314 12.6912 12.6912 13.2517 13.2517 k = 0.1875 0.3248-0.0000 ( 4661 PWs) bands (ev): -31.0469 -31.0469 -31.0425 -31.0425 -12.3406 -12.3406 -12.3174 -12.3174 -11.9864 -11.9864 -11.9478 -11.9478 -11.9334 -11.9334 -11.9305 -11.9305 -1.3305 -1.3305 -1.1449 -1.1449 3.5275 3.5275 3.6521 3.6521 4.3643 4.3643 4.4193 4.4193 4.5887 4.5887 4.7314 4.7314 5.4369 5.4369 5.6117 5.6117 5.9034 5.9034 6.2758 6.2758 6.5680 6.5680 6.8684 6.8684 7.5713 7.5713 7.9031 7.9031 8.5392 8.5392 9.2596 9.2596 11.7043 11.7043 12.2711 12.2711 12.3631 12.3631 12.6694 12.6694 13.2971 13.2971 k = 0.1806 0.3127-0.0000 ( 4659 PWs) bands (ev): -31.0470 -31.0470 -31.0426 -31.0426 -12.3404 -12.3404 -12.3167 -12.3167 -11.9863 -11.9863 -11.9468 -11.9468 -11.9329 -11.9329 -11.9297 -11.9297 -1.3659 -1.3659 -1.1648 -1.1648 3.5204 3.5204 3.6369 3.6369 4.3665 4.3665 4.4114 4.4114 4.5816 4.5816 4.7148 4.7148 5.4462 5.4462 5.6106 5.6106 5.9014 5.9014 6.2825 6.2825 6.6512 6.6512 6.9758 6.9758 7.4977 7.4977 8.0158 8.0158 8.6478 8.6478 9.2497 9.2497 11.7486 11.7486 12.2105 12.2105 12.3184 12.3184 12.6443 12.6443 13.3356 13.3356 k = 0.1736 0.3007-0.0000 ( 4667 PWs) bands (ev): -31.0471 -31.0471 -31.0427 -31.0427 -12.3403 -12.3403 -12.3161 -12.3161 -11.9863 -11.9863 -11.9458 -11.9458 -11.9325 -11.9325 -11.9289 -11.9289 -1.4016 -1.4016 -1.1849 -1.1849 3.5147 3.5147 3.6216 3.6216 4.3673 4.3673 4.4032 4.4032 4.5756 4.5756 4.6994 4.6994 5.4560 5.4560 5.6099 5.6099 5.8984 5.8984 6.2888 6.2888 6.7402 6.7402 7.0855 7.0855 7.4264 7.4264 8.1295 8.1295 8.7574 8.7574 9.2380 9.2380 11.7944 11.7944 12.1367 12.1367 12.2913 12.2913 12.6152 12.6152 13.3658 13.3658 k = 0.1667 0.2887-0.0000 ( 4663 PWs) bands (ev): -31.0472 -31.0472 -31.0428 -31.0428 -12.3401 -12.3401 -12.3154 -12.3154 -11.9862 -11.9862 -11.9447 -11.9447 -11.9321 -11.9321 -11.9280 -11.9280 -1.4375 -1.4375 -1.2051 -1.2051 3.5100 3.5100 3.6064 3.6064 4.3665 4.3665 4.3951 4.3951 4.5708 4.5708 4.6857 4.6857 5.4662 5.4662 5.6098 5.6098 5.8945 5.8945 6.2948 6.2948 6.8345 6.8345 7.1908 7.1908 7.3642 7.3642 8.2439 8.2439 8.8676 8.8676 9.2248 9.2248 11.8360 11.8360 12.0657 12.0657 12.2716 12.2716 12.5816 12.5816 13.3867 13.3867 k = 0.1597 0.2766-0.0000 ( 4663 PWs) bands (ev): -31.0473 -31.0473 -31.0428 -31.0428 -12.3400 -12.3400 -12.3148 -12.3148 -11.9861 -11.9861 -11.9437 -11.9437 -11.9318 -11.9318 -11.9271 -11.9271 -1.4734 -1.4734 -1.2253 -1.2253 3.5064 3.5064 3.5914 3.5914 4.3636 4.3636 4.3878 4.3878 4.5666 4.5666 4.6743 4.6743 5.4767 5.4767 5.6102 5.6102 5.8900 5.8900 6.3005 6.3005 6.9335 6.9335 7.2348 7.2348 7.3679 7.3679 8.3587 8.3587 8.9782 8.9782 9.2104 9.2104 11.8539 11.8539 12.0206 12.0206 12.2555 12.2555 12.5428 12.5428 13.3981 13.3981 k = 0.1528 0.2646-0.0000 ( 4667 PWs) bands (ev): -31.0474 -31.0474 -31.0429 -31.0429 -12.3398 -12.3398 -12.3141 -12.3141 -11.9860 -11.9860 -11.9426 -11.9426 -11.9314 -11.9314 -11.9262 -11.9262 -1.5091 -1.5091 -1.2455 -1.2455 3.5036 3.5036 3.5765 3.5765 4.3581 4.3581 4.3820 4.3820 4.5626 4.5626 4.6657 4.6657 5.4873 5.4873 5.6112 5.6112 5.8851 5.8851 6.3056 6.3056 7.0356 7.0356 7.1861 7.1861 7.4701 7.4701 8.4735 8.4735 9.0881 9.0881 9.1961 9.1961 11.8188 11.8188 12.0314 12.0314 12.2418 12.2418 12.4989 12.4989 13.4007 13.4007 k = 0.1458 0.2526-0.0000 ( 4655 PWs) bands (ev): -31.0475 -31.0475 -31.0430 -31.0430 -12.3396 -12.3396 -12.3135 -12.3135 -11.9859 -11.9859 -11.9415 -11.9415 -11.9310 -11.9310 -11.9252 -11.9252 -1.5445 -1.5445 -1.2654 -1.2654 3.5013 3.5013 3.5620 3.5620 4.3505 4.3505 4.3775 4.3775 4.5584 4.5584 4.6604 4.6604 5.4978 5.4978 5.6129 5.6129 5.8797 5.8797 6.3101 6.3101 7.1017 7.1017 7.1624 7.1624 7.5917 7.5917 8.5879 8.5879 9.1687 9.1687 9.2104 9.2104 11.7522 11.7522 12.0758 12.0758 12.2297 12.2297 12.4506 12.4506 13.3959 13.3959 k = 0.1389 0.2406-0.0000 ( 4661 PWs) bands (ev): -31.0476 -31.0476 -31.0431 -31.0431 -12.3394 -12.3394 -12.3128 -12.3128 -11.9858 -11.9858 -11.9405 -11.9405 -11.9306 -11.9306 -11.9243 -11.9243 -1.5794 -1.5794 -1.2851 -1.2851 3.4994 3.4994 3.5479 3.5479 4.3415 4.3415 4.3740 4.3740 4.5536 4.5536 4.6584 4.6584 5.5082 5.5082 5.6153 5.6153 5.8741 5.8741 6.3139 6.3139 7.0447 7.0447 7.2645 7.2645 7.7186 7.7186 8.7016 8.7016 9.1582 9.1582 9.3152 9.3152 11.6779 11.6779 12.1273 12.1273 12.2183 12.2183 12.4014 12.4014 13.3853 13.3853 k = 0.1319 0.2285-0.0000 ( 4657 PWs) bands (ev): -31.0477 -31.0477 -31.0431 -31.0431 -12.3393 -12.3393 -12.3122 -12.3122 -11.9858 -11.9858 -11.9395 -11.9395 -11.9302 -11.9302 -11.9234 -11.9234 -1.6135 -1.6135 -1.3044 -1.3044 3.4974 3.4974 3.5346 3.5346 4.3318 4.3318 4.3709 4.3709 4.5482 4.5482 4.6598 4.6598 5.5185 5.5185 5.6185 5.6185 5.8684 5.8684 6.3168 6.3168 6.9793 6.9793 7.3796 7.3796 7.8484 7.8484 8.8141 8.8141 9.1417 9.1417 9.4253 9.4253 11.6031 11.6031 12.1704 12.1704 12.2031 12.2031 12.3637 12.3637 13.3704 13.3704 k = 0.1250 0.2165-0.0000 ( 4653 PWs) bands (ev): -31.0477 -31.0477 -31.0432 -31.0432 -12.3391 -12.3391 -12.3115 -12.3115 -11.9857 -11.9857 -11.9385 -11.9385 -11.9298 -11.9298 -11.9224 -11.9224 -1.6469 -1.6469 -1.3232 -1.3232 3.4948 3.4948 3.5226 3.5226 4.3220 4.3220 4.3681 4.3681 4.5425 4.5425 4.6640 4.6640 5.5285 5.5285 5.6223 5.6223 5.8625 5.8625 6.3186 6.3186 6.9148 6.9148 7.4989 7.4989 7.9804 7.9804 8.9249 8.9249 9.1248 9.1248 9.5352 9.5352 11.5300 11.5300 12.1684 12.1684 12.1905 12.1905 12.3653 12.3653 13.3526 13.3526 k = 0.1181 0.2045-0.0000 ( 4655 PWs) bands (ev): -31.0478 -31.0478 -31.0433 -31.0433 -12.3390 -12.3390 -12.3109 -12.3109 -11.9856 -11.9856 -11.9375 -11.9375 -11.9293 -11.9293 -11.9215 -11.9215 -1.6792 -1.6792 -1.3416 -1.3416 3.4902 3.4902 3.5132 3.5132 4.3122 4.3122 4.3658 4.3658 4.5366 4.5366 4.6705 4.6705 5.5383 5.5383 5.6268 5.6268 5.8567 5.8567 6.3188 6.3188 6.8525 6.8525 7.6217 7.6217 8.1139 8.1139 9.0335 9.0335 9.1078 9.1078 9.6445 9.6445 11.4600 11.4600 12.1053 12.1053 12.1930 12.1930 12.4086 12.4086 13.3328 13.3328 k = 0.1111 0.1925-0.0000 ( 4665 PWs) bands (ev): -31.0479 -31.0479 -31.0434 -31.0434 -12.3389 -12.3389 -12.3103 -12.3103 -11.9855 -11.9855 -11.9367 -11.9367 -11.9289 -11.9289 -11.9207 -11.9207 -1.7104 -1.7104 -1.3593 -1.3593 3.4824 3.4824 3.5074 3.5074 4.3027 4.3027 4.3639 4.3639 4.5308 4.5308 4.6789 4.6789 5.5479 5.5479 5.6318 5.6318 5.8509 5.8509 6.3172 6.3172 6.7932 6.7932 7.7473 7.7473 8.2484 8.2484 9.0911 9.0911 9.1391 9.1391 9.7527 9.7527 11.3938 11.3938 12.0240 12.0240 12.1912 12.1912 12.4695 12.4695 13.3118 13.3118 k = 0.1042 0.1804-0.0000 ( 4659 PWs) bands (ev): -31.0480 -31.0480 -31.0434 -31.0434 -12.3387 -12.3387 -12.3097 -12.3097 -11.9854 -11.9854 -11.9358 -11.9358 -11.9283 -11.9283 -11.9198 -11.9198 -1.7404 -1.7404 -1.3763 -1.3763 3.4723 3.4723 3.5045 3.5045 4.2935 4.2935 4.3627 4.3627 4.5251 4.5251 4.6888 4.6888 5.5575 5.5575 5.6373 5.6373 5.8453 5.8453 6.3131 6.3131 6.7377 6.7377 7.8757 7.8757 8.3833 8.3833 9.0749 9.0749 9.2410 9.2410 9.8596 9.8596 11.3320 11.3320 11.9320 11.9320 12.1889 12.1889 12.5364 12.5364 13.2904 13.2904 k = 0.0972 0.1684-0.0000 ( 4663 PWs) bands (ev): -31.0481 -31.0481 -31.0435 -31.0435 -12.3386 -12.3386 -12.3091 -12.3091 -11.9854 -11.9854 -11.9351 -11.9351 -11.9278 -11.9278 -11.9190 -11.9190 -1.7690 -1.7690 -1.3926 -1.3926 3.4614 3.4614 3.5028 3.5028 4.2847 4.2847 4.3621 4.3621 4.5196 4.5196 4.6997 4.6997 5.5670 5.5670 5.6430 5.6430 5.8399 5.8399 6.3059 6.3059 6.6869 6.6869 8.0065 8.0065 8.5182 8.5182 9.0593 9.0593 9.3383 9.3383 9.9652 9.9652 11.2751 11.2751 11.8323 11.8323 12.1870 12.1870 12.6046 12.6046 13.2688 13.2688 k = 0.0903 0.1564-0.0000 ( 4663 PWs) bands (ev): -31.0482 -31.0482 -31.0436 -31.0436 -12.3385 -12.3385 -12.3086 -12.3086 -11.9853 -11.9853 -11.9344 -11.9344 -11.9272 -11.9272 -11.9182 -11.9182 -1.7961 -1.7961 -1.4080 -1.4080 3.4505 3.4505 3.5015 3.5015 4.2764 4.2764 4.3622 4.3622 4.5144 4.5144 4.7115 4.7115 5.5766 5.5766 5.6490 5.6490 5.8347 5.8347 6.2946 6.2946 6.6416 6.6416 8.1395 8.1395 8.6524 8.6524 9.0445 9.0445 9.4302 9.4302 10.0694 10.0694 11.2234 11.2234 11.7267 11.7267 12.1858 12.1858 12.6722 12.6722 13.2476 13.2476 k = 0.0833 0.1443-0.0000 ( 4653 PWs) bands (ev): -31.0482 -31.0482 -31.0436 -31.0436 -12.3384 -12.3384 -12.3080 -12.3080 -11.9852 -11.9852 -11.9338 -11.9338 -11.9265 -11.9265 -11.9175 -11.9175 -1.8216 -1.8216 -1.4225 -1.4225 3.4401 3.4401 3.5004 3.5004 4.2687 4.2687 4.3630 4.3630 4.5095 4.5095 4.7237 4.7237 5.5864 5.5864 5.6550 5.6550 5.8298 5.8298 6.2786 6.2786 6.6029 6.6029 8.2744 8.2744 8.7851 8.7851 9.0306 9.0306 9.5156 9.5156 10.1720 10.1720 11.1770 11.1770 11.6167 11.6167 12.1851 12.1851 12.7377 12.7377 13.2269 13.2269 k = 0.0764 0.1323-0.0000 ( 4661 PWs) bands (ev): -31.0483 -31.0483 -31.0437 -31.0437 -12.3383 -12.3383 -12.3076 -12.3076 -11.9851 -11.9851 -11.9334 -11.9334 -11.9259 -11.9259 -11.9168 -11.9168 -1.8455 -1.8455 -1.4361 -1.4361 3.4301 3.4301 3.4994 3.4994 4.2615 4.2615 4.3645 4.3645 4.5048 4.5048 4.7362 4.7362 5.5966 5.5966 5.6608 5.6608 5.8253 5.8253 6.2575 6.2575 6.5713 6.5713 8.4111 8.4111 8.9151 8.9151 9.0181 9.0181 9.5936 9.5936 10.2729 10.2729 11.1355 11.1355 11.5039 11.5039 12.1848 12.1848 12.7996 12.7996 13.2062 13.2062 k = 0.0694 0.1203-0.0000 ( 4661 PWs) bands (ev): -31.0484 -31.0484 -31.0437 -31.0437 -12.3382 -12.3382 -12.3071 -12.3071 -11.9851 -11.9851 -11.9330 -11.9330 -11.9253 -11.9253 -11.9161 -11.9161 -1.8675 -1.8675 -1.4487 -1.4487 3.4207 3.4207 3.4983 3.4983 4.2550 4.2550 4.3665 4.3665 4.5004 4.5004 4.7487 4.7487 5.6072 5.6072 5.6665 5.6665 5.8211 5.8211 6.2314 6.2314 6.5467 6.5467 8.5493 8.5493 9.0019 9.0019 9.0468 9.0468 9.6636 9.6636 10.3719 10.3719 11.0972 11.0972 11.3911 11.3911 12.1848 12.1848 12.8569 12.8569 13.1773 13.1773 k = 0.0625 0.1083-0.0000 ( 4665 PWs) bands (ev): -31.0484 -31.0484 -31.0438 -31.0438 -12.3382 -12.3382 -12.3067 -12.3067 -11.9850 -11.9850 -11.9326 -11.9326 -11.9247 -11.9247 -11.9155 -11.9155 -1.8877 -1.8877 -1.4603 -1.4603 3.4121 3.4121 3.4972 3.4972 4.2491 4.2491 4.3691 4.3691 4.4962 4.4962 4.7610 4.7610 5.6183 5.6183 5.6718 5.6718 5.8173 5.8173 6.2014 6.2014 6.5284 6.5284 8.6887 8.6887 8.9929 8.9929 9.1680 9.1680 9.7249 9.7249 10.4687 10.4687 11.0567 11.0567 11.2844 11.2844 12.1850 12.1850 12.9084 12.9084 13.0968 13.0968 k = 0.0556 0.0962-0.0000 ( 4657 PWs) bands (ev): -31.0485 -31.0485 -31.0438 -31.0438 -12.3381 -12.3381 -12.3063 -12.3063 -11.9849 -11.9849 -11.9323 -11.9323 -11.9240 -11.9240 -11.9149 -11.9149 -1.9059 -1.9059 -1.4707 -1.4707 3.4043 3.4043 3.4961 3.4961 4.2438 4.2438 4.3720 4.3720 4.4922 4.4922 4.7728 4.7728 5.6298 5.6298 5.6766 5.6766 5.8139 5.8139 6.1689 6.1689 6.5151 6.5151 8.8293 8.8293 8.9831 8.9831 9.2856 9.2856 9.7774 9.7774 10.5626 10.5626 11.0002 11.0002 11.1983 11.1983 12.1852 12.1852 12.9528 12.9528 13.0024 13.0024 k = 0.0486 0.0842-0.0000 ( 4659 PWs) bands (ev): -31.0485 -31.0485 -31.0439 -31.0439 -12.3380 -12.3380 -12.3060 -12.3060 -11.9849 -11.9849 -11.9321 -11.9321 -11.9235 -11.9235 -11.9144 -11.9144 -1.9222 -1.9222 -1.4801 -1.4801 3.3972 3.3972 3.4950 3.4950 4.2392 4.2392 4.3751 4.3751 4.4885 4.4885 4.7839 4.7839 5.6419 5.6419 5.6810 5.6810 5.8110 5.8110 6.1355 6.1355 6.5057 6.5057 8.9700 8.9700 8.9750 8.9750 9.3962 9.3962 9.8212 9.8212 10.6524 10.6524 10.9124 10.9124 11.1485 11.1485 12.1851 12.1851 12.9042 12.9042 12.9887 12.9887 k = 0.0417 0.0722-0.0000 ( 4659 PWs) bands (ev): -31.0486 -31.0486 -31.0439 -31.0439 -12.3380 -12.3380 -12.3057 -12.3057 -11.9849 -11.9849 -11.9319 -11.9319 -11.9230 -11.9230 -11.9139 -11.9139 -1.9364 -1.9364 -1.4882 -1.4882 3.3910 3.3910 3.4940 3.4940 4.2352 4.2352 4.3783 4.3783 4.4851 4.4851 4.7941 4.7941 5.6542 5.6542 5.6848 5.6848 5.8084 5.8084 6.1024 6.1024 6.4990 6.4990 8.9665 8.9665 9.1128 9.1128 9.4980 9.4980 9.8569 9.8569 10.7350 10.7350 10.8009 10.8009 11.1289 11.1289 12.1847 12.1847 12.8094 12.8094 12.8904 12.8904 k = 0.0347 0.0601-0.0000 ( 4655 PWs) bands (ev): -31.0486 -31.0486 -31.0439 -31.0439 -12.3379 -12.3379 -12.3054 -12.3054 -11.9848 -11.9848 -11.9317 -11.9317 -11.9225 -11.9225 -11.9136 -11.9136 -1.9485 -1.9485 -1.4952 -1.4952 3.3858 3.3858 3.4930 3.4930 4.2319 4.2319 4.3815 4.3815 4.4820 4.4820 4.8031 4.8031 5.6667 5.6667 5.6880 5.6880 5.8064 5.8064 6.0709 6.0709 6.4944 6.4944 8.9600 8.9600 9.2552 9.2552 9.5888 9.5888 9.8853 9.8853 10.6709 10.6709 10.8161 10.8161 11.1264 11.1264 12.1837 12.1837 12.7186 12.7187 12.8014 12.8014 k = 0.0278 0.0481-0.0000 ( 4651 PWs) bands (ev): -31.0486 -31.0486 -31.0440 -31.0440 -12.3379 -12.3379 -12.3052 -12.3052 -11.9848 -11.9848 -11.9316 -11.9316 -11.9221 -11.9221 -11.9133 -11.9133 -1.9584 -1.9584 -1.5009 -1.5009 3.3814 3.3814 3.4922 3.4922 4.2291 4.2291 4.3844 4.3844 4.4793 4.4793 4.8109 4.8109 5.6788 5.6788 5.6907 5.6907 5.8047 5.8047 6.0424 6.0424 6.4911 6.4911 8.9546 8.9546 9.3975 9.3975 9.6665 9.6665 9.9077 9.9077 10.5397 10.5397 10.8822 10.8822 11.1341 11.1341 12.1820 12.1820 12.6362 12.6362 12.7241 12.7241 k = 0.0208 0.0361-0.0000 ( 4643 PWs) bands (ev): -31.0486 -31.0486 -31.0440 -31.0440 -12.3379 -12.3379 -12.3050 -12.3050 -11.9848 -11.9848 -11.9315 -11.9315 -11.9217 -11.9217 -11.9130 -11.9130 -1.9662 -1.9662 -1.5053 -1.5053 3.3780 3.3780 3.4915 3.4915 4.2270 4.2270 4.3869 4.3869 4.4770 4.4770 4.8171 4.8171 5.6900 5.6900 5.6928 5.6928 5.8034 5.8034 6.0179 6.0179 6.4890 6.4890 8.9504 8.9504 9.5390 9.5390 9.7288 9.7288 9.9251 9.9251 10.4048 10.4048 10.9358 10.9358 11.1479 11.1479 12.1795 12.1795 12.5664 12.5664 12.6603 12.6603 k = 0.0139 0.0241-0.0000 ( 4639 PWs) bands (ev): -31.0487 -31.0487 -31.0440 -31.0440 -12.3379 -12.3379 -12.3048 -12.3048 -11.9848 -11.9848 -11.9314 -11.9314 -11.9215 -11.9215 -11.9128 -11.9128 -1.9718 -1.9718 -1.5085 -1.5085 3.3755 3.3755 3.4910 3.4910 4.2255 4.2255 4.3888 4.3888 4.4753 4.4753 4.8216 4.8216 5.6942 5.6942 5.6992 5.6992 5.8026 5.8026 5.9989 5.9989 6.4876 6.4876 8.9474 8.9474 9.6780 9.6780 9.7740 9.7740 9.9392 9.9392 10.2687 10.2687 10.9742 10.9742 11.1638 11.1638 12.1767 12.1767 12.5132 12.5132 12.6123 12.6123 k = 0.0069 0.0120-0.0000 ( 4635 PWs) bands (ev): -31.0487 -31.0487 -31.0440 -31.0440 -12.3378 -12.3378 -12.3047 -12.3047 -11.9848 -11.9848 -11.9313 -11.9313 -11.9213 -11.9213 -11.9127 -11.9127 -1.9751 -1.9751 -1.5105 -1.5105 3.3741 3.3741 3.4907 3.4907 4.2246 4.2246 4.3900 4.3900 4.4743 4.4743 4.8244 4.8244 5.6951 5.6951 5.7054 5.7054 5.8021 5.8021 5.9867 5.9867 6.4868 6.4868 8.9456 8.9456 9.8002 9.8002 9.8080 9.8080 9.9548 9.9548 10.1345 10.1345 10.9970 10.9970 11.1764 11.1764 12.1743 12.1743 12.4799 12.4799 12.5822 12.5822 k = 0.0000 0.0000 0.0000 ( 4623 PWs) bands (ev): -31.0487 -31.0487 -31.0440 -31.0440 -12.3378 -12.3378 -12.3047 -12.3047 -11.9847 -11.9847 -11.9313 -11.9313 -11.9213 -11.9213 -11.9127 -11.9127 -1.9763 -1.9763 -1.5111 -1.5111 3.3736 3.3736 3.4906 3.4906 4.2243 4.2243 4.3904 4.3904 4.4739 4.4739 4.8253 4.8253 5.6954 5.6954 5.7076 5.7076 5.8019 5.8019 5.9825 5.9825 6.4866 6.4866 8.9450 8.9450 9.8099 9.8099 9.8750 9.8750 9.9962 9.9962 10.0289 10.0289 11.0045 11.0045 11.1813 11.1813 12.1733 12.1733 12.4687 12.4687 12.5721 12.5721 k = 0.0000 0.0000 0.0000 ( 4623 PWs) bands (ev): -31.0487 -31.0487 -31.0440 -31.0440 -12.3378 -12.3378 -12.3047 -12.3047 -11.9847 -11.9847 -11.9313 -11.9313 -11.9213 -11.9213 -11.9127 -11.9127 -1.9763 -1.9763 -1.5111 -1.5111 3.3736 3.3736 3.4906 3.4906 4.2243 4.2243 4.3904 4.3904 4.4739 4.4739 4.8253 4.8253 5.6954 5.6954 5.7076 5.7076 5.8019 5.8019 5.9825 5.9825 6.4866 6.4866 8.9450 8.9450 9.8099 9.8099 9.8750 9.8750 9.9962 9.9962 10.0289 10.0289 11.0045 11.0045 11.1813 11.1813 12.1733 12.1733 12.4687 12.4687 12.5721 12.5721 k = 0.0000 0.0000 0.0138 ( 4629 PWs) bands (ev): -31.0486 -31.0486 -31.0440 -31.0440 -12.3378 -12.3378 -12.3047 -12.3047 -11.9847 -11.9847 -11.9314 -11.9314 -11.9213 -11.9213 -11.9127 -11.9127 -1.9756 -1.9756 -1.5119 -1.5119 3.3737 3.3737 3.4904 3.4904 4.2246 4.2246 4.3901 4.3901 4.4742 4.4742 4.8239 4.8239 5.6958 5.6958 5.7081 5.7081 5.8017 5.8017 5.9820 5.9820 6.4902 6.4902 8.9376 8.9376 9.8148 9.8148 9.8764 9.8764 9.9965 9.9965 10.0303 10.0303 11.0018 11.0018 11.1785 11.1785 12.1763 12.1763 12.4701 12.4701 12.5730 12.5730 k = 0.0000 0.0000 0.0276 ( 4641 PWs) bands (ev): -31.0486 -31.0486 -31.0440 -31.0440 -12.3376 -12.3376 -12.3049 -12.3049 -11.9845 -11.9845 -11.9317 -11.9317 -11.9213 -11.9213 -11.9127 -11.9127 -1.9736 -1.9736 -1.5142 -1.5142 3.3743 3.3743 3.4898 3.4898 4.2253 4.2253 4.3891 4.3891 4.4751 4.4751 4.8195 4.8195 5.6970 5.6970 5.7095 5.7095 5.8012 5.8012 5.9805 5.9805 6.5011 6.5011 8.9162 8.9162 9.8288 9.8288 9.8806 9.8806 9.9974 9.9974 10.0345 10.0345 10.9939 10.9939 11.1702 11.1702 12.1852 12.1852 12.4744 12.4744 12.5761 12.5761 k = 0.0000 0.0000 0.0414 ( 4647 PWs) bands (ev): -31.0486 -31.0486 -31.0441 -31.0441 -12.3373 -12.3373 -12.3051 -12.3051 -11.9841 -11.9841 -11.9322 -11.9322 -11.9212 -11.9212 -11.9128 -11.9128 -1.9703 -1.9703 -1.5180 -1.5180 3.3751 3.3751 3.4889 3.4889 4.2264 4.2264 4.3874 4.3874 4.4765 4.4765 4.8125 4.8125 5.6989 5.6989 5.7119 5.7119 5.8004 5.8004 5.9781 5.9781 6.5191 6.5191 8.8823 8.8823 9.8503 9.8503 9.8874 9.8874 9.9989 9.9989 10.0415 10.0415 10.9809 10.9809 11.1566 11.1566 12.1999 12.1999 12.4815 12.4815 12.5812 12.5812 k = 0.0000 0.0000 0.0552 ( 4647 PWs) bands (ev): -31.0486 -31.0486 -31.0441 -31.0441 -12.3369 -12.3369 -12.3054 -12.3054 -11.9836 -11.9836 -11.9329 -11.9329 -11.9212 -11.9212 -11.9129 -11.9129 -1.9656 -1.9656 -1.5233 -1.5233 3.3764 3.3764 3.4876 3.4876 4.2281 4.2281 4.3852 4.3852 4.4784 4.4784 4.8030 4.8030 5.7017 5.7017 5.7148 5.7148 5.7993 5.7993 5.9746 5.9746 6.5441 6.5441 8.8378 8.8378 9.8770 9.8770 9.8969 9.8969 10.0011 10.0011 10.0512 10.0512 10.9632 10.9632 11.1381 11.1381 12.2206 12.2206 12.4915 12.4915 12.5884 12.5884 k = 0.0000 0.0000 0.0691 ( 4653 PWs) bands (ev): -31.0485 -31.0485 -31.0442 -31.0442 -12.3364 -12.3364 -12.3058 -12.3058 -11.9831 -11.9831 -11.9337 -11.9337 -11.9210 -11.9210 -11.9130 -11.9130 -1.9597 -1.9597 -1.5301 -1.5301 3.3779 3.3779 3.4860 3.4860 4.2301 4.2301 4.3824 4.3824 4.4808 4.4808 4.7915 4.7915 5.7052 5.7052 5.7183 5.7183 5.7978 5.7978 5.9703 5.9703 6.5759 6.5759 8.7847 8.7847 9.9069 9.9069 9.9090 9.9090 10.0041 10.0041 10.0637 10.0637 10.9412 10.9412 11.1150 11.1150 12.2472 12.2472 12.5042 12.5042 12.5976 12.5976 k = 0.0000 0.0000 0.0829 ( 4646 PWs) bands (ev): -31.0484 -31.0484 -31.0443 -31.0443 -12.3357 -12.3357 -12.3062 -12.3062 -11.9823 -11.9823 -11.9347 -11.9347 -11.9209 -11.9209 -11.9131 -11.9131 -1.9525 -1.9525 -1.5383 -1.5383 3.3798 3.3798 3.4840 3.4840 4.2327 4.2327 4.3791 4.3791 4.4837 4.4837 4.7783 4.7783 5.7095 5.7095 5.7219 5.7219 5.7961 5.7961 5.9651 5.9651 6.6143 6.6143 8.7248 8.7248 9.9235 9.9235 9.9379 9.9379 10.0079 10.0079 10.0788 10.0788 10.9153 10.9153 11.0877 11.0877 12.2797 12.2797 12.5197 12.5197 12.6090 12.6090 k = 0.0000 0.0000 0.0967 ( 4646 PWs) bands (ev): -31.0483 -31.0483 -31.0444 -31.0444 -12.3350 -12.3350 -12.3067 -12.3067 -11.9814 -11.9814 -11.9358 -11.9358 -11.9207 -11.9207 -11.9134 -11.9134 -1.9441 -1.9441 -1.5478 -1.5478 3.3820 3.3820 3.4817 3.4817 4.2356 4.2356 4.3753 4.3753 4.4870 4.4870 4.7637 4.7637 5.7145 5.7145 5.7256 5.7256 5.7941 5.7941 5.9590 5.9590 6.6587 6.6587 8.6595 8.6595 9.9401 9.9401 9.9684 9.9684 10.0128 10.0128 10.0965 10.0965 10.8861 10.8861 11.0569 11.0569 12.3182 12.3182 12.5379 12.5379 12.6223 12.6223 k = 0.0000 0.0000 0.1105 ( 4640 PWs) bands (ev): -31.0482 -31.0482 -31.0445 -31.0445 -12.3341 -12.3341 -12.3074 -12.3074 -11.9803 -11.9803 -11.9371 -11.9371 -11.9205 -11.9205 -11.9135 -11.9135 -1.9346 -1.9346 -1.5586 -1.5586 3.3845 3.3845 3.4791 3.4791 4.2389 4.2389 4.3711 4.3711 4.4908 4.4908 4.7483 4.7483 5.7203 5.7203 5.7293 5.7293 5.7920 5.7920 5.9521 5.9521 6.7090 6.7090 8.5898 8.5898 9.9583 9.9583 9.9971 9.9971 10.0191 10.0191 10.1167 10.1167 10.8540 10.8540 11.0230 11.0230 12.3626 12.3626 12.5589 12.5589 12.6378 12.6378 k = 0.0000 0.0000 0.1243 ( 4652 PWs) bands (ev): -31.0481 -31.0481 -31.0446 -31.0446 -12.3332 -12.3332 -12.3081 -12.3081 -11.9792 -11.9792 -11.9386 -11.9386 -11.9204 -11.9204 -11.9138 -11.9138 -1.9239 -1.9239 -1.5705 -1.5705 3.3873 3.3873 3.4762 3.4762 4.2427 4.2427 4.3666 4.3666 4.4950 4.4950 4.7323 4.7323 5.7267 5.7267 5.7327 5.7327 5.7896 5.7896 5.9445 5.9445 6.7646 6.7646 8.5166 8.5166 9.9771 9.9771 10.0231 10.0231 10.0279 10.0279 10.1393 10.1393 10.8194 10.8194 10.9864 10.9864 12.4130 12.4130 12.5825 12.5825 12.6554 12.6554 k = 0.0000 0.0000 0.1381 ( 4664 PWs) bands (ev): -31.0480 -31.0480 -31.0447 -31.0447 -12.3322 -12.3322 -12.3089 -12.3089 -11.9779 -11.9779 -11.9403 -11.9403 -11.9202 -11.9202 -11.9140 -11.9140 -1.9121 -1.9121 -1.5836 -1.5836 3.3903 3.3903 3.4730 3.4730 4.2468 4.2468 4.3617 4.3617 4.4996 4.4996 4.7159 4.7159 5.7337 5.7337 5.7360 5.7360 5.7871 5.7871 5.9361 5.9361 6.8251 6.8251 8.4406 8.4406 9.9947 9.9947 10.0408 10.0408 10.0458 10.0458 10.1643 10.1643 10.7829 10.7829 10.9477 10.9477 12.4692 12.4692 12.6088 12.6088 12.6750 12.6750 k = 0.0000 0.0000 0.1519 ( 4670 PWs) bands (ev): -31.0479 -31.0479 -31.0448 -31.0448 -12.3311 -12.3311 -12.3097 -12.3097 -11.9765 -11.9765 -11.9420 -11.9420 -11.9199 -11.9199 -11.9142 -11.9142 -1.8994 -1.8994 -1.5977 -1.5977 3.3937 3.3937 3.4696 3.4696 4.2512 4.2512 4.3565 4.3565 4.5047 4.5047 4.6996 4.6996 5.7390 5.7390 5.7414 5.7414 5.7845 5.7845 5.9272 5.9272 6.8900 6.8900 8.3623 8.3623 10.0092 10.0092 10.0596 10.0596 10.0647 10.0647 10.1915 10.1915 10.7446 10.7446 10.9072 10.9072 12.5310 12.5310 12.6378 12.6378 12.6966 12.6966 k = 0.0000 0.0000 0.1657 ( 4658 PWs) bands (ev): -31.0477 -31.0477 -31.0450 -31.0450 -12.3300 -12.3300 -12.3106 -12.3106 -11.9751 -11.9751 -11.9437 -11.9437 -11.9196 -11.9196 -11.9145 -11.9145 -1.8857 -1.8857 -1.6127 -1.6127 3.3972 3.3972 3.4659 3.4659 4.2560 4.2560 4.3511 4.3511 4.5103 4.5103 4.6835 4.6835 5.7418 5.7418 5.7497 5.7497 5.7817 5.7817 5.9178 5.9178 6.9589 6.9589 8.2819 8.2819 10.0206 10.0206 10.0798 10.0798 10.0841 10.0841 10.2209 10.2209 10.7051 10.7051 10.8653 10.8653 12.5983 12.5983 12.6694 12.6694 12.7204 12.7204 k = 0.0000 0.0000 0.1796 ( 4652 PWs) bands (ev): -31.0476 -31.0476 -31.0451 -31.0451 -12.3288 -12.3288 -12.3115 -12.3115 -11.9735 -11.9735 -11.9456 -11.9456 -11.9193 -11.9193 -11.9148 -11.9148 -1.8711 -1.8711 -1.6284 -1.6284 3.4010 3.4010 3.4621 3.4621 4.2610 4.2610 4.3454 4.3454 4.5163 4.5163 4.6677 4.6677 5.7444 5.7444 5.7585 5.7585 5.7790 5.7790 5.9078 5.9078 7.0314 7.0314 8.2000 8.2000 10.0302 10.0302 10.0911 10.0911 10.1129 10.1129 10.2522 10.2522 10.6645 10.6645 10.8224 10.8224 12.6705 12.6705 12.7037 12.7037 12.7462 12.7462 k = 0.0000 0.0000 0.1934 ( 4640 PWs) bands (ev): -31.0474 -31.0474 -31.0453 -31.0453 -12.3275 -12.3275 -12.3125 -12.3125 -11.9717 -11.9717 -11.9475 -11.9475 -11.9190 -11.9190 -11.9151 -11.9151 -1.8557 -1.8557 -1.6449 -1.6449 3.4049 3.4049 3.4580 3.4580 4.2664 4.2664 4.3395 4.3395 4.5229 4.5229 4.6524 4.6524 5.7468 5.7468 5.7678 5.7678 5.7762 5.7762 5.8975 5.8975 7.1069 7.1069 8.1166 8.1166 10.0392 10.0392 10.0987 10.0987 10.1447 10.1447 10.2855 10.2855 10.6232 10.6232 10.7789 10.7789 12.7407 12.7407 12.7473 12.7473 12.7741 12.7741 k = 0.0000 0.0000 0.2072 ( 4640 PWs) bands (ev): -31.0472 -31.0472 -31.0454 -31.0454 -12.3262 -12.3262 -12.3136 -12.3136 -11.9699 -11.9699 -11.9495 -11.9495 -11.9187 -11.9187 -11.9154 -11.9154 -1.8396 -1.8396 -1.6620 -1.6620 3.4091 3.4091 3.4538 3.4538 4.2719 4.2719 4.3335 4.3335 4.5300 4.5300 4.6377 4.6377 5.7492 5.7492 5.7735 5.7735 5.7775 5.7775 5.8868 5.8868 7.1851 7.1851 8.0322 8.0322 10.0479 10.0479 10.1030 10.1030 10.1787 10.1787 10.3205 10.3205 10.5813 10.5813 10.7349 10.7349 12.7802 12.7802 12.8040 12.8040 12.8279 12.8279 k = 0.0000 0.0000 0.2210 ( 4640 PWs) bands (ev): -31.0471 -31.0471 -31.0456 -31.0456 -12.3249 -12.3249 -12.3147 -12.3147 -11.9681 -11.9681 -11.9516 -11.9516 -11.9184 -11.9184 -11.9157 -11.9157 -1.8230 -1.8230 -1.6795 -1.6795 3.4133 3.4133 3.4495 3.4495 4.2777 4.2777 4.3274 4.3274 4.5377 4.5377 4.6237 4.6237 5.7514 5.7514 5.7707 5.7707 5.7876 5.7876 5.8759 5.8759 7.2655 7.2655 7.9469 7.9469 10.0565 10.0565 10.1043 10.1043 10.2146 10.2146 10.3571 10.3571 10.5391 10.5391 10.6907 10.6907 12.8223 12.8223 12.8358 12.8358 12.9116 12.9116 k = 0.0000 0.0000 0.2348 ( 4634 PWs) bands (ev): -31.0469 -31.0469 -31.0458 -31.0458 -12.3235 -12.3235 -12.3159 -12.3159 -11.9661 -11.9661 -11.9537 -11.9537 -11.9181 -11.9181 -11.9160 -11.9160 -1.8057 -1.8057 -1.6974 -1.6974 3.4177 3.4177 3.4450 3.4450 4.2837 4.2837 4.3212 4.3212 4.5460 4.5460 4.6103 4.6103 5.7537 5.7537 5.7681 5.7681 5.7981 5.7981 5.8647 5.8647 7.3478 7.3478 7.8610 7.8610 10.0650 10.0650 10.1030 10.1030 10.2520 10.2520 10.3953 10.3953 10.4968 10.4968 10.6467 10.6467 12.8670 12.8670 12.8695 12.8695 12.9966 12.9966 k = 0.0000 0.0000 0.2486 ( 4628 PWs) bands (ev): -31.0467 -31.0467 -31.0460 -31.0460 -12.3222 -12.3222 -12.3171 -12.3171 -11.9641 -11.9641 -11.9558 -11.9558 -11.9177 -11.9177 -11.9163 -11.9163 -1.7881 -1.7881 -1.7155 -1.7155 3.4222 3.4222 3.4405 3.4405 4.2897 4.2897 4.3149 4.3149 4.5549 4.5549 4.5978 4.5978 5.7559 5.7559 5.7655 5.7655 5.8089 5.8089 5.8535 5.8535 7.4316 7.4316 7.7747 7.7747 10.0732 10.0732 10.0997 10.0997 10.2908 10.2908 10.4348 10.4348 10.4547 10.4547 10.6029 10.6029 12.9050 12.9050 12.9143 12.9143 13.0522 13.0522 k = 0.0000 0.0000 0.2624 ( 4640 PWs) bands (ev): -31.0465 -31.0465 -31.0462 -31.0462 -12.3210 -12.3210 -12.3183 -12.3183 -11.9621 -11.9621 -11.9579 -11.9579 -11.9174 -11.9174 -11.9167 -11.9167 -1.7702 -1.7702 -1.7338 -1.7338 3.4267 3.4267 3.4359 3.4359 4.2959 4.2959 4.3085 4.3085 4.5645 4.5645 4.5859 4.5859 5.7582 5.7582 5.7630 5.7630 5.8198 5.8198 5.8422 5.8422 7.5165 7.5165 7.6883 7.6883 10.0811 10.0811 10.0947 10.0947 10.3306 10.3306 10.4128 10.4128 10.4754 10.4754 10.5597 10.5597 12.9420 12.9420 12.9638 12.9638 13.0195 13.0195 k = 0.0000 0.0000 0.2762 ( 4652 PWs) bands (ev): -31.0463 -31.0463 -31.0463 -31.0463 -12.3197 -12.3197 -12.3197 -12.3197 -11.9601 -11.9601 -11.9601 -11.9601 -11.9171 -11.9171 -11.9171 -11.9171 -1.7520 -1.7520 -1.7520 -1.7520 3.4313 3.4313 3.4313 3.4313 4.3022 4.3022 4.3022 4.3022 4.5749 4.5749 4.5749 4.5749 5.7606 5.7606 5.7606 5.7606 5.8310 5.8310 5.8310 5.8310 7.6022 7.6022 7.6022 7.6022 10.0884 10.0884 10.0884 10.0884 10.3714 10.3714 10.3714 10.3714 10.5171 10.5171 10.5171 10.5171 12.9804 12.9804 12.9804 12.9812 13.0158 13.0158 k = 0.0000 0.0000 0.2762 ( 4652 PWs) bands (ev): -31.0463 -31.0463 -31.0463 -31.0463 -12.3197 -12.3197 -12.3197 -12.3197 -11.9601 -11.9601 -11.9601 -11.9601 -11.9171 -11.9171 -11.9171 -11.9171 -1.7520 -1.7520 -1.7520 -1.7520 3.4313 3.4313 3.4313 3.4313 4.3022 4.3022 4.3022 4.3022 4.5749 4.5749 4.5749 4.5749 5.7606 5.7606 5.7606 5.7606 5.8310 5.8310 5.8310 5.8310 7.6022 7.6022 7.6022 7.6022 10.0884 10.0884 10.0884 10.0884 10.3714 10.3714 10.3714 10.3714 10.5171 10.5171 10.5171 10.5171 12.9804 12.9804 12.9804 12.9805 13.0158 13.0158 k = 0.0119 0.0069 0.2762 ( 4640 PWs) bands (ev): -31.0463 -31.0463 -31.0463 -31.0463 -12.3197 -12.3197 -12.3197 -12.3197 -11.9600 -11.9600 -11.9600 -11.9600 -11.9171 -11.9171 -11.9171 -11.9171 -1.7511 -1.7511 -1.7511 -1.7511 3.4316 3.4316 3.4316 3.4316 4.3022 4.3022 4.3022 4.3022 4.5747 4.5747 4.5747 4.5747 5.7570 5.7570 5.7570 5.7570 5.8346 5.8346 5.8346 5.8346 7.6036 7.6036 7.6036 7.6036 10.0504 10.0504 10.0504 10.0504 10.3823 10.3823 10.3823 10.3823 10.5364 10.5364 10.5364 10.5364 12.9754 12.9754 12.9754 12.9754 13.0165 13.0165 k = 0.0238 0.0137 0.2762 ( 4644 PWs) bands (ev): -31.0463 -31.0463 -31.0463 -31.0463 -12.3197 -12.3197 -12.3197 -12.3197 -11.9601 -11.9601 -11.9601 -11.9601 -11.9172 -11.9172 -11.9172 -11.9172 -1.7485 -1.7485 -1.7485 -1.7485 3.4324 3.4324 3.4324 3.4324 4.3021 4.3021 4.3021 4.3021 4.5743 4.5743 4.5743 4.5743 5.7480 5.7480 5.7480 5.7480 5.8437 5.8437 5.8437 5.8437 7.6080 7.6080 7.6080 7.6080 9.9623 9.9623 9.9623 9.9623 10.3888 10.3888 10.3888 10.3888 10.5945 10.5945 10.5945 10.5945 12.9603 12.9603 12.9603 12.9603 13.0194 13.0194 k = 0.0357 0.0206 0.2762 ( 4640 PWs) bands (ev): -31.0463 -31.0463 -31.0463 -31.0463 -12.3198 -12.3198 -12.3198 -12.3198 -11.9601 -11.9601 -11.9601 -11.9601 -11.9174 -11.9174 -11.9174 -11.9174 -1.7441 -1.7441 -1.7441 -1.7441 3.4337 3.4337 3.4337 3.4337 4.3021 4.3021 4.3021 4.3021 4.5735 4.5735 4.5735 4.5735 5.7362 5.7362 5.7362 5.7362 5.8558 5.8558 5.8558 5.8558 7.6153 7.6153 7.6153 7.6153 9.8527 9.8527 9.8527 9.8527 10.3773 10.3773 10.3773 10.3773 10.6769 10.6769 10.6769 10.6769 12.9376 12.9376 12.9376 12.9376 13.0255 13.0255 k = 0.0476 0.0275 0.2762 ( 4640 PWs) bands (ev): -31.0463 -31.0463 -31.0463 -31.0463 -12.3199 -12.3199 -12.3199 -12.3199 -11.9601 -11.9601 -11.9601 -11.9601 -11.9177 -11.9177 -11.9177 -11.9177 -1.7379 -1.7379 -1.7379 -1.7379 3.4356 3.4356 3.4356 3.4356 4.3020 4.3020 4.3020 4.3020 4.5724 4.5724 4.5724 4.5724 5.7230 5.7230 5.7230 5.7230 5.8694 5.8694 5.8694 5.8694 7.6253 7.6253 7.6253 7.6253 9.7330 9.7330 9.7330 9.7330 10.3527 10.3527 10.3527 10.3527 10.7675 10.7675 10.7675 10.7675 12.9099 12.9099 12.9099 12.9099 13.0344 13.0344 k = 0.0595 0.0344 0.2762 ( 4636 PWs) bands (ev): -31.0463 -31.0463 -31.0463 -31.0463 -12.3200 -12.3200 -12.3200 -12.3200 -11.9602 -11.9602 -11.9602 -11.9602 -11.9180 -11.9180 -11.9180 -11.9180 -1.7300 -1.7300 -1.7300 -1.7300 3.4379 3.4379 3.4379 3.4379 4.3020 4.3020 4.3020 4.3020 4.5711 4.5711 4.5711 4.5711 5.7093 5.7093 5.7093 5.7093 5.8835 5.8835 5.8835 5.8835 7.6381 7.6381 7.6381 7.6381 9.6076 9.6076 9.6076 9.6076 10.3184 10.3184 10.3184 10.3184 10.8591 10.8591 10.8591 10.8591 12.8792 12.8792 12.8792 12.8792 13.0457 13.0457 k = 0.0714 0.0412 0.2762 ( 4636 PWs) bands (ev): -31.0462 -31.0462 -31.0462 -31.0462 -12.3201 -12.3201 -12.3201 -12.3201 -11.9603 -11.9603 -11.9603 -11.9603 -11.9184 -11.9184 -11.9184 -11.9184 -1.7204 -1.7204 -1.7204 -1.7204 3.4407 3.4407 3.4407 3.4407 4.3021 4.3021 4.3021 4.3021 4.5696 4.5696 4.5696 4.5696 5.6955 5.6955 5.6955 5.6955 5.8978 5.8978 5.8978 5.8978 7.6533 7.6533 7.6533 7.6533 9.4787 9.4787 9.4787 9.4787 10.2762 10.2762 10.2762 10.2762 10.9484 10.9484 10.9484 10.9484 12.8463 12.8463 12.8463 12.8463 13.0592 13.0592 k = 0.0833 0.0481 0.2762 ( 4626 PWs) bands (ev): -31.0462 -31.0462 -31.0462 -31.0462 -12.3203 -12.3203 -12.3203 -12.3203 -11.9604 -11.9604 -11.9604 -11.9604 -11.9189 -11.9189 -11.9189 -11.9189 -1.7092 -1.7092 -1.7092 -1.7092 3.4439 3.4439 3.4439 3.4439 4.3024 4.3024 4.3024 4.3024 4.5679 4.5679 4.5679 4.5679 5.6819 5.6819 5.6819 5.6819 5.9121 5.9121 5.9121 5.9121 7.6707 7.6707 7.6707 7.6707 9.3475 9.3475 9.3475 9.3475 10.2269 10.2269 10.2269 10.2269 11.0339 11.0339 11.0339 11.0339 12.8114 12.8114 12.8114 12.8114 13.0744 13.0744 k = 0.0952 0.0550 0.2762 ( 4622 PWs) bands (ev): -31.0461 -31.0461 -31.0461 -31.0461 -12.3205 -12.3205 -12.3205 -12.3205 -11.9605 -11.9605 -11.9605 -11.9605 -11.9194 -11.9194 -11.9194 -11.9194 -1.6963 -1.6963 -1.6963 -1.6963 3.4475 3.4475 3.4475 3.4475 4.3029 4.3029 4.3029 4.3029 4.5661 4.5661 4.5661 4.5661 5.6685 5.6685 5.6685 5.6685 5.9262 5.9262 5.9262 5.9262 7.6901 7.6901 7.6901 7.6901 9.2151 9.2151 9.2151 9.2151 10.1714 10.1714 10.1714 10.1714 11.1146 11.1146 11.1146 11.1146 12.7740 12.7740 12.7740 12.7740 13.0910 13.0910 k = 0.1071 0.0619 0.2762 ( 4634 PWs) bands (ev): -31.0461 -31.0461 -31.0461 -31.0461 -12.3207 -12.3207 -12.3207 -12.3207 -11.9606 -11.9606 -11.9606 -11.9606 -11.9200 -11.9200 -11.9200 -11.9200 -1.6818 -1.6818 -1.6818 -1.6818 3.4515 3.4515 3.4515 3.4515 4.3036 4.3036 4.3036 4.3036 4.5642 4.5642 4.5642 4.5642 5.6555 5.6555 5.6555 5.6555 5.9399 5.9399 5.9399 5.9399 7.7110 7.7110 7.7110 7.7110 9.0824 9.0824 9.0824 9.0824 10.1103 10.1103 10.1103 10.1103 11.1899 11.1899 11.1899 11.1899 12.7337 12.7337 12.7337 12.7337 13.1085 13.1085 k = 0.1190 0.0687 0.2762 ( 4636 PWs) bands (ev): -31.0460 -31.0460 -31.0460 -31.0460 -12.3210 -12.3210 -12.3210 -12.3210 -11.9608 -11.9608 -11.9608 -11.9608 -11.9207 -11.9207 -11.9207 -11.9207 -1.6659 -1.6659 -1.6659 -1.6659 3.4558 3.4558 3.4558 3.4558 4.3047 4.3047 4.3047 4.3047 4.5623 4.5623 4.5623 4.5623 5.6431 5.6431 5.6431 5.6431 5.9532 5.9532 5.9532 5.9532 7.7326 7.7326 7.7326 7.7326 8.9506 8.9506 8.9506 8.9506 10.0443 10.0443 10.0443 10.0443 11.2592 11.2592 11.2592 11.2592 12.6903 12.6903 12.6903 12.6903 13.1269 13.1269 k = 0.1310 0.0756 0.2762 ( 4636 PWs) bands (ev): -31.0460 -31.0460 -31.0460 -31.0460 -12.3213 -12.3213 -12.3213 -12.3213 -11.9609 -11.9609 -11.9609 -11.9609 -11.9214 -11.9214 -11.9214 -11.9214 -1.6484 -1.6484 -1.6484 -1.6484 3.4604 3.4604 3.4604 3.4604 4.3061 4.3061 4.3061 4.3061 4.5604 4.5604 4.5604 4.5604 5.6311 5.6311 5.6311 5.6311 5.9661 5.9661 5.9661 5.9661 7.7541 7.7541 7.7541 7.7541 8.8209 8.8209 8.8209 8.8209 9.9741 9.9741 9.9741 9.9741 11.3221 11.3221 11.3221 11.3221 12.6437 12.6437 12.6437 12.6437 13.1460 13.1460 k = 0.1429 0.0825 0.2762 ( 4634 PWs) bands (ev): -31.0459 -31.0459 -31.0459 -31.0459 -12.3216 -12.3216 -12.3216 -12.3216 -11.9611 -11.9611 -11.9611 -11.9611 -11.9221 -11.9221 -11.9221 -11.9221 -1.6296 -1.6296 -1.6296 -1.6296 3.4652 3.4652 3.4652 3.4652 4.3080 4.3080 4.3080 4.3080 4.5588 4.5588 4.5588 4.5588 5.6196 5.6196 5.6196 5.6196 5.9784 5.9784 5.9784 5.9784 7.7738 7.7738 7.7738 7.7738 8.6951 8.6951 8.6951 8.6951 9.9002 9.9002 9.9002 9.9002 11.3782 11.3782 11.3782 11.3782 12.5946 12.5946 12.5946 12.5946 13.1664 13.1664 k = 0.1548 0.0894 0.2762 ( 4650 PWs) bands (ev): -31.0459 -31.0459 -31.0459 -31.0459 -12.3219 -12.3219 -12.3219 -12.3219 -11.9613 -11.9613 -11.9613 -11.9613 -11.9229 -11.9229 -11.9229 -11.9229 -1.6095 -1.6095 -1.6095 -1.6095 3.4703 3.4703 3.4703 3.4703 4.3102 4.3102 4.3102 4.3102 4.5573 4.5573 4.5573 4.5573 5.6088 5.6088 5.6088 5.6088 5.9902 5.9902 5.9902 5.9902 7.7891 7.7891 7.7891 7.7891 8.5762 8.5762 8.5762 8.5762 9.8232 9.8232 9.8232 9.8232 11.4270 11.4270 11.4270 11.4270 12.5439 12.5439 12.5439 12.5439 13.1886 13.1886 k = 0.1667 0.0962 0.2762 ( 4646 PWs) bands (ev): -31.0458 -31.0458 -31.0458 -31.0458 -12.3223 -12.3223 -12.3223 -12.3223 -11.9615 -11.9615 -11.9615 -11.9615 -11.9237 -11.9237 -11.9237 -11.9237 -1.5881 -1.5881 -1.5881 -1.5881 3.4756 3.4756 3.4756 3.4756 4.3129 4.3129 4.3129 4.3129 4.5562 4.5562 4.5562 4.5562 5.5985 5.5985 5.5985 5.5985 6.0014 6.0014 6.0014 6.0014 7.7957 7.7957 7.7957 7.7957 8.4688 8.4688 8.4688 8.4688 9.7436 9.7436 9.7436 9.7436 11.4683 11.4683 11.4683 11.4683 12.4927 12.4927 12.4927 12.4927 13.2135 13.2135 k = 0.1786 0.1031 0.2762 ( 4642 PWs) bands (ev): -31.0457 -31.0457 -31.0457 -31.0457 -12.3226 -12.3226 -12.3226 -12.3226 -11.9617 -11.9617 -11.9617 -11.9617 -11.9246 -11.9246 -11.9246 -11.9246 -1.5656 -1.5656 -1.5656 -1.5656 3.4812 3.4812 3.4812 3.4812 4.3159 4.3159 4.3159 4.3159 4.5556 4.5556 4.5556 4.5556 5.5889 5.5889 5.5889 5.5889 6.0119 6.0119 6.0119 6.0119 7.7868 7.7868 7.7868 7.7868 8.3797 8.3797 8.3797 8.3797 9.6620 9.6620 9.6620 9.6620 11.5014 11.5014 11.5014 11.5014 12.4425 12.4425 12.4425 12.4425 13.2419 13.2419 k = 0.1905 0.1100 0.2762 ( 4634 PWs) bands (ev): -31.0456 -31.0456 -31.0456 -31.0456 -12.3230 -12.3230 -12.3230 -12.3230 -11.9619 -11.9619 -11.9619 -11.9619 -11.9254 -11.9254 -11.9254 -11.9254 -1.5421 -1.5421 -1.5421 -1.5421 3.4870 3.4870 3.4870 3.4870 4.3192 4.3192 4.3192 4.3192 4.5554 4.5554 4.5554 4.5554 5.5798 5.5798 5.5798 5.5798 6.0218 6.0218 6.0218 6.0218 7.7546 7.7546 7.7546 7.7546 8.3171 8.3171 8.3171 8.3171 9.5787 9.5787 9.5787 9.5787 11.5261 11.5261 11.5261 11.5261 12.3944 12.3944 12.3944 12.3944 13.2739 13.2739 k = 0.2024 0.1168 0.2762 ( 4630 PWs) bands (ev): -31.0456 -31.0456 -31.0456 -31.0456 -12.3233 -12.3233 -12.3233 -12.3233 -11.9622 -11.9622 -11.9622 -11.9622 -11.9263 -11.9263 -11.9263 -11.9263 -1.5176 -1.5176 -1.5176 -1.5176 3.4932 3.4932 3.4932 3.4932 4.3227 4.3227 4.3227 4.3227 4.5560 4.5560 4.5560 4.5560 5.5714 5.5714 5.5714 5.5714 6.0310 6.0310 6.0310 6.0310 7.6949 7.6949 7.6949 7.6949 8.2852 8.2852 8.2852 8.2852 9.4942 9.4942 9.4942 9.4942 11.5421 11.5421 11.5421 11.5421 12.3498 12.3498 12.3498 12.3498 13.3093 13.3093 k = 0.2143 0.1237 0.2762 ( 4634 PWs) bands (ev): -31.0455 -31.0455 -31.0455 -31.0455 -12.3237 -12.3237 -12.3237 -12.3237 -11.9624 -11.9624 -11.9624 -11.9624 -11.9272 -11.9272 -11.9272 -11.9272 -1.4922 -1.4922 -1.4922 -1.4922 3.4996 3.4996 3.4996 3.4996 4.3262 4.3262 4.3262 4.3262 4.5573 4.5573 4.5573 4.5573 5.5636 5.5636 5.5636 5.5636 6.0395 6.0395 6.0395 6.0395 7.6115 7.6115 7.6115 7.6115 8.2806 8.2806 8.2806 8.2806 9.4090 9.4090 9.4090 9.4090 11.5491 11.5491 11.5491 11.5491 12.3096 12.3096 12.3096 12.3096 13.3476 13.3476 k = 0.2262 0.1306 0.2762 ( 4646 PWs) bands (ev): -31.0454 -31.0454 -31.0454 -31.0454 -12.3242 -12.3242 -12.3242 -12.3242 -11.9627 -11.9627 -11.9627 -11.9627 -11.9281 -11.9281 -11.9281 -11.9281 -1.4662 -1.4662 -1.4662 -1.4662 3.5065 3.5065 3.5065 3.5065 4.3297 4.3297 4.3297 4.3297 4.5595 4.5595 4.5595 4.5595 5.5564 5.5564 5.5564 5.5564 6.0473 6.0473 6.0473 6.0473 7.5123 7.5123 7.5123 7.5123 8.2954 8.2954 8.2954 8.2954 9.3235 9.3235 9.3235 9.3235 11.5471 11.5471 11.5471 11.5471 12.2746 12.2746 12.2746 12.2746 13.3880 13.3880 k = 0.2381 0.1375 0.2762 ( 4656 PWs) bands (ev): -31.0453 -31.0453 -31.0453 -31.0453 -12.3246 -12.3246 -12.3246 -12.3246 -11.9630 -11.9630 -11.9630 -11.9630 -11.9290 -11.9290 -11.9290 -11.9290 -1.4396 -1.4396 -1.4396 -1.4396 3.5138 3.5138 3.5138 3.5138 4.3330 4.3330 4.3330 4.3330 4.5626 4.5626 4.5626 4.5626 5.5497 5.5497 5.5497 5.5497 6.0542 6.0542 6.0542 6.0542 7.4043 7.4043 7.4043 7.4043 8.3229 8.3229 8.3229 8.3229 9.2380 9.2380 9.2380 9.2380 11.5367 11.5367 11.5367 11.5367 12.2449 12.2449 12.2449 12.2449 13.4295 13.4296 k = 0.2500 0.1443 0.2762 ( 4654 PWs) bands (ev): -31.0452 -31.0452 -31.0452 -31.0452 -12.3250 -12.3250 -12.3250 -12.3250 -11.9633 -11.9633 -11.9633 -11.9633 -11.9299 -11.9299 -11.9299 -11.9299 -1.4125 -1.4125 -1.4125 -1.4125 3.5216 3.5216 3.5216 3.5216 4.3358 4.3358 4.3358 4.3358 4.5668 4.5668 4.5668 4.5668 5.5438 5.5438 5.5438 5.5438 6.0602 6.0602 6.0602 6.0602 7.2923 7.2923 7.2923 7.2923 8.3583 8.3583 8.3583 8.3583 9.1531 9.1531 9.1531 9.1531 11.5184 11.5184 11.5184 11.5184 12.2206 12.2206 12.2206 12.2206 13.4715 13.4715 k = 0.2619 0.1512 0.2762 ( 4654 PWs) bands (ev): -31.0452 -31.0452 -31.0452 -31.0452 -12.3254 -12.3254 -12.3254 -12.3254 -11.9636 -11.9636 -11.9636 -11.9636 -11.9307 -11.9307 -11.9307 -11.9307 -1.3852 -1.3852 -1.3852 -1.3852 3.5301 3.5301 3.5301 3.5301 4.3381 4.3381 4.3381 4.3381 4.5719 4.5719 4.5719 4.5719 5.5384 5.5384 5.5384 5.5384 6.0654 6.0654 6.0654 6.0654 7.1793 7.1793 7.1793 7.1793 8.3990 8.3990 8.3990 8.3990 9.0692 9.0692 9.0692 9.0692 11.4935 11.4935 11.4935 11.4935 12.2009 12.2009 12.2009 12.2009 13.5133 13.5134 k = 0.2738 0.1581 0.2762 ( 4660 PWs) bands (ev): -31.0451 -31.0451 -31.0451 -31.0451 -12.3259 -12.3259 -12.3259 -12.3259 -11.9640 -11.9640 -11.9640 -11.9640 -11.9315 -11.9315 -11.9315 -11.9315 -1.3577 -1.3577 -1.3577 -1.3577 3.5393 3.5393 3.5393 3.5393 4.3397 4.3397 4.3397 4.3397 4.5779 4.5779 4.5779 4.5779 5.5336 5.5336 5.5336 5.5336 6.0694 6.0694 6.0694 6.0694 7.0674 7.0674 7.0674 7.0674 8.4428 8.4428 8.4428 8.4428 8.9868 8.9868 8.9868 8.9868 11.4631 11.4631 11.4631 11.4631 12.1850 12.1850 12.1850 12.1850 13.5547 13.5548 k = 0.2857 0.1650 0.2762 ( 4654 PWs) bands (ev): -31.0450 -31.0450 -31.0450 -31.0450 -12.3263 -12.3263 -12.3263 -12.3263 -11.9643 -11.9643 -11.9643 -11.9643 -11.9323 -11.9323 -11.9323 -11.9323 -1.3301 -1.3301 -1.3301 -1.3301 3.5493 3.5493 3.5493 3.5493 4.3405 4.3405 4.3405 4.3405 4.5846 4.5846 4.5846 4.5846 5.5295 5.5295 5.5295 5.5295 6.0722 6.0722 6.0722 6.0722 6.9579 6.9579 6.9579 6.9579 8.4881 8.4881 8.4881 8.4881 8.9068 8.9068 8.9068 8.9068 11.4285 11.4285 11.4285 11.4285 12.1721 12.1721 12.1721 12.1721 13.5957 13.5957 k = 0.2976 0.1718 0.2762 ( 4650 PWs) bands (ev): -31.0449 -31.0449 -31.0449 -31.0449 -12.3267 -12.3267 -12.3267 -12.3267 -11.9646 -11.9646 -11.9646 -11.9646 -11.9331 -11.9331 -11.9331 -11.9331 -1.3027 -1.3027 -1.3027 -1.3027 3.5603 3.5603 3.5603 3.5603 4.3405 4.3405 4.3405 4.3405 4.5919 4.5919 4.5919 4.5919 5.5259 5.5259 5.5259 5.5259 6.0736 6.0736 6.0736 6.0736 6.8521 6.8521 6.8521 6.8521 8.5327 8.5327 8.5327 8.5327 8.8309 8.8309 8.8309 8.8309 11.3911 11.3911 11.3911 11.3911 12.1614 12.1614 12.1614 12.1614 13.6362 13.6363 k = 0.3095 0.1787 0.2762 ( 4652 PWs) bands (ev): -31.0448 -31.0448 -31.0448 -31.0448 -12.3271 -12.3271 -12.3271 -12.3271 -11.9650 -11.9650 -11.9650 -11.9650 -11.9338 -11.9338 -11.9338 -11.9338 -1.2757 -1.2757 -1.2757 -1.2757 3.5722 3.5722 3.5722 3.5722 4.3396 4.3396 4.3396 4.3396 4.5995 4.5995 4.5995 4.5995 5.5231 5.5231 5.5231 5.5231 6.0733 6.0733 6.0733 6.0733 6.7510 6.7510 6.7511 6.7511 8.5713 8.5713 8.5713 8.5713 8.7642 8.7642 8.7642 8.7642 11.3517 11.3517 11.3517 11.3517 12.1519 12.1519 12.1519 12.1519 13.6763 13.6764 k = 0.3214 0.1856 0.2762 ( 4656 PWs) bands (ev): -31.0448 -31.0448 -31.0448 -31.0448 -12.3275 -12.3275 -12.3275 -12.3275 -11.9654 -11.9654 -11.9654 -11.9654 -11.9346 -11.9346 -11.9346 -11.9346 -1.2491 -1.2491 -1.2491 -1.2491 3.5853 3.5853 3.5853 3.5853 4.3377 4.3377 4.3377 4.3377 4.6071 4.6071 4.6071 4.6071 5.5208 5.5208 5.5208 5.5208 6.0706 6.0706 6.0706 6.0706 6.6560 6.6560 6.6560 6.6560 8.5852 8.5852 8.5852 8.5852 8.7252 8.7252 8.7252 8.7252 11.3114 11.3114 11.3114 11.3114 12.1433 12.1433 12.1433 12.1433 13.7160 13.7160 k = 0.3333 0.1925 0.2762 ( 4668 PWs) bands (ev): -31.0447 -31.0447 -31.0447 -31.0447 -12.3279 -12.3279 -12.3279 -12.3279 -11.9657 -11.9657 -11.9657 -11.9657 -11.9352 -11.9352 -11.9352 -11.9352 -1.2231 -1.2231 -1.2231 -1.2231 3.5994 3.5994 3.5994 3.5994 4.3350 4.3350 4.3350 4.3350 4.6143 4.6143 4.6143 4.6143 5.5192 5.5192 5.5192 5.5192 6.0650 6.0650 6.0650 6.0650 6.5683 6.5683 6.5683 6.5683 8.5509 8.5509 8.5509 8.5509 8.7371 8.7371 8.7371 8.7371 11.2707 11.2707 11.2707 11.2707 12.1349 12.1349 12.1349 12.1349 13.7551 13.7551 k = 0.3452 0.1993 0.2762 ( 4656 PWs) bands (ev): -31.0446 -31.0446 -31.0446 -31.0446 -12.3283 -12.3283 -12.3283 -12.3283 -11.9660 -11.9660 -11.9660 -11.9660 -11.9358 -11.9358 -11.9358 -11.9358 -1.1980 -1.1980 -1.1980 -1.1980 3.6148 3.6148 3.6148 3.6148 4.3313 4.3313 4.3313 4.3313 4.6207 4.6207 4.6207 4.6207 5.5183 5.5183 5.5183 5.5183 6.0555 6.0555 6.0555 6.0555 6.4894 6.4894 6.4894 6.4894 8.4926 8.4926 8.4926 8.4926 8.7758 8.7758 8.7758 8.7758 11.2305 11.2305 11.2305 11.2305 12.1266 12.1266 12.1266 12.1266 13.7937 13.7938 k = 0.3571 0.2062 0.2762 ( 4664 PWs) bands (ev): -31.0446 -31.0446 -31.0446 -31.0446 -12.3287 -12.3287 -12.3287 -12.3287 -11.9664 -11.9664 -11.9664 -11.9664 -11.9364 -11.9364 -11.9364 -11.9364 -1.1739 -1.1739 -1.1739 -1.1739 3.6312 3.6312 3.6312 3.6312 4.3266 4.3266 4.3266 4.3266 4.6261 4.6261 4.6261 4.6261 5.5180 5.5180 5.5180 5.5180 6.0409 6.0409 6.0409 6.0409 6.4209 6.4209 6.4209 6.4209 8.4298 8.4298 8.4298 8.4298 8.8214 8.8214 8.8214 8.8214 11.1909 11.1909 11.1909 11.1909 12.1182 12.1182 12.1182 12.1182 13.8316 13.8316 k = 0.3690 0.2131 0.2762 ( 4670 PWs) bands (ev): -31.0445 -31.0445 -31.0445 -31.0445 -12.3290 -12.3290 -12.3290 -12.3290 -11.9668 -11.9668 -11.9668 -11.9668 -11.9369 -11.9369 -11.9369 -11.9369 -1.1510 -1.1510 -1.1510 -1.1510 3.6488 3.6488 3.6488 3.6488 4.3210 4.3210 4.3210 4.3210 4.6302 4.6302 4.6302 4.6302 5.5184 5.5184 5.5184 5.5184 6.0202 6.0202 6.0202 6.0202 6.3645 6.3645 6.3645 6.3645 8.3681 8.3681 8.3681 8.3681 8.8684 8.8684 8.8684 8.8684 11.1527 11.1527 11.1527 11.1527 12.1096 12.1096 12.1096 12.1096 13.8685 13.8685 k = 0.3810 0.2199 0.2762 ( 4670 PWs) bands (ev): -31.0445 -31.0445 -31.0445 -31.0445 -12.3293 -12.3293 -12.3293 -12.3293 -11.9671 -11.9671 -11.9671 -11.9671 -11.9374 -11.9374 -11.9374 -11.9374 -1.1294 -1.1294 -1.1294 -1.1294 3.6675 3.6675 3.6675 3.6675 4.3144 4.3144 4.3144 4.3144 4.6329 4.6329 4.6329 4.6329 5.5194 5.5194 5.5194 5.5194 5.9931 5.9931 5.9931 5.9931 6.3207 6.3207 6.3207 6.3207 8.3091 8.3091 8.3091 8.3091 8.9149 8.9149 8.9149 8.9149 11.1160 11.1160 11.1160 11.1160 12.1009 12.1009 12.1009 12.1009 13.9042 13.9042 k = 0.3929 0.2268 0.2762 ( 4670 PWs) bands (ev): -31.0444 -31.0444 -31.0444 -31.0444 -12.3296 -12.3296 -12.3296 -12.3296 -11.9674 -11.9674 -11.9674 -11.9674 -11.9379 -11.9379 -11.9379 -11.9379 -1.1093 -1.1093 -1.1093 -1.1093 3.6869 3.6869 3.6869 3.6869 4.3068 4.3068 4.3068 4.3068 4.6339 4.6339 4.6339 4.6339 5.5210 5.5210 5.5210 5.5210 5.9610 5.9610 5.9610 5.9610 6.2887 6.2887 6.2887 6.2887 8.2539 8.2539 8.2539 8.2539 8.9598 8.9598 8.9598 8.9598 11.0813 11.0813 11.0813 11.0813 12.0920 12.0920 12.0920 12.0920 13.9385 13.9385 k = 0.4048 0.2337 0.2762 ( 4672 PWs) bands (ev): -31.0444 -31.0444 -31.0444 -31.0444 -12.3299 -12.3299 -12.3299 -12.3299 -11.9677 -11.9677 -11.9677 -11.9677 -11.9382 -11.9382 -11.9382 -11.9382 -1.0908 -1.0908 -1.0908 -1.0908 3.7070 3.7070 3.7070 3.7070 4.2983 4.2983 4.2983 4.2983 4.6333 4.6333 4.6333 4.6333 5.5231 5.5231 5.5231 5.5231 5.9261 5.9261 5.9261 5.9261 6.2662 6.2662 6.2662 6.2662 8.2029 8.2029 8.2029 8.2029 9.0024 9.0024 9.0024 9.0024 11.0489 11.0489 11.0489 11.0489 12.0833 12.0833 12.0833 12.0833 13.9709 13.9709 k = 0.4167 0.2406 0.2762 ( 4668 PWs) bands (ev): -31.0443 -31.0443 -31.0443 -31.0443 -12.3302 -12.3302 -12.3302 -12.3302 -11.9679 -11.9679 -11.9679 -11.9679 -11.9386 -11.9386 -11.9386 -11.9386 -1.0741 -1.0741 -1.0741 -1.0741 3.7274 3.7274 3.7274 3.7274 4.2890 4.2890 4.2890 4.2890 4.6314 4.6314 4.6314 4.6314 5.5255 5.5255 5.5255 5.5255 5.8912 5.8912 5.8912 5.8912 6.2508 6.2508 6.2508 6.2508 8.1568 8.1568 8.1568 8.1568 9.0421 9.0421 9.0421 9.0421 11.0192 11.0192 11.0192 11.0192 12.0748 12.0748 12.0748 12.0748 14.0012 14.0012 k = 0.4286 0.2474 0.2762 ( 4676 PWs) bands (ev): -31.0443 -31.0443 -31.0443 -31.0443 -12.3304 -12.3304 -12.3304 -12.3304 -11.9682 -11.9682 -11.9682 -11.9682 -11.9389 -11.9389 -11.9389 -11.9389 -1.0594 -1.0594 -1.0594 -1.0594 3.7476 3.7476 3.7476 3.7476 4.2790 4.2790 4.2790 4.2790 4.6285 4.6285 4.6285 4.6285 5.5283 5.5283 5.5283 5.5283 5.8585 5.8585 5.8585 5.8585 6.2403 6.2403 6.2403 6.2403 8.1159 8.1159 8.1159 8.1159 9.0780 9.0780 9.0780 9.0780 10.9924 10.9924 10.9924 10.9924 12.0669 12.0669 12.0669 12.0669 14.0288 14.0288 k = 0.4405 0.2543 0.2762 ( 4670 PWs) bands (ev): -31.0442 -31.0442 -31.0442 -31.0442 -12.3306 -12.3306 -12.3306 -12.3306 -11.9683 -11.9683 -11.9683 -11.9683 -11.9391 -11.9391 -11.9391 -11.9391 -1.0467 -1.0467 -1.0467 -1.0467 3.7671 3.7671 3.7671 3.7671 4.2686 4.2686 4.2686 4.2686 4.6249 4.6249 4.6249 4.6249 5.5311 5.5311 5.5311 5.5311 5.8293 5.8293 5.8293 5.8293 6.2331 6.2331 6.2331 6.2331 8.0806 8.0806 8.0806 8.0806 9.1097 9.1097 9.1097 9.1097 10.9689 10.9689 10.9689 10.9689 12.0596 12.0596 12.0596 12.0596 14.0534 14.0535 k = 0.4524 0.2612 0.2762 ( 4662 PWs) bands (ev): -31.0442 -31.0442 -31.0442 -31.0442 -12.3307 -12.3307 -12.3307 -12.3307 -11.9685 -11.9685 -11.9685 -11.9685 -11.9393 -11.9393 -11.9393 -11.9393 -1.0362 -1.0362 -1.0362 -1.0362 3.7850 3.7850 3.7850 3.7850 4.2585 4.2585 4.2585 4.2585 4.6211 4.6211 4.6211 4.6211 5.5339 5.5339 5.5339 5.5339 5.8048 5.8048 5.8048 5.8048 6.2282 6.2282 6.2282 6.2282 8.0513 8.0513 8.0513 8.0513 9.1366 9.1366 9.1366 9.1366 10.9491 10.9491 10.9491 10.9491 12.0533 12.0533 12.0533 12.0533 14.0743 14.0748 k = 0.4643 0.2681 0.2762 ( 4660 PWs) bands (ev): -31.0442 -31.0442 -31.0442 -31.0442 -12.3308 -12.3308 -12.3308 -12.3308 -11.9686 -11.9686 -11.9686 -11.9686 -11.9394 -11.9394 -11.9394 -11.9394 -1.0279 -1.0279 -1.0279 -1.0279 3.8004 3.8004 3.8004 3.8004 4.2493 4.2493 4.2493 4.2493 4.6175 4.6175 4.6175 4.6175 5.5364 5.5364 5.5364 5.5364 5.7854 5.7854 5.7854 5.7854 6.2250 6.2250 6.2250 6.2250 8.0281 8.0281 8.0281 8.0281 9.1582 9.1582 9.1582 9.1582 10.9333 10.9333 10.9333 10.9333 12.0482 12.0482 12.0482 12.0482 14.0913 14.0918 k = 0.4762 0.2749 0.2762 ( 4664 PWs) bands (ev): -31.0442 -31.0442 -31.0442 -31.0442 -12.3309 -12.3309 -12.3309 -12.3309 -11.9687 -11.9687 -11.9687 -11.9687 -11.9395 -11.9395 -11.9395 -11.9395 -1.0219 -1.0219 -1.0219 -1.0219 3.8125 3.8125 3.8125 3.8125 4.2417 4.2417 4.2417 4.2417 4.6147 4.6147 4.6147 4.6147 5.5383 5.5383 5.5383 5.5383 5.7714 5.7714 5.7714 5.7714 6.2229 6.2229 6.2229 6.2229 8.0114 8.0114 8.0114 8.0114 9.1739 9.1739 9.1739 9.1739 10.9218 10.9218 10.9218 10.9218 12.0444 12.0444 12.0444 12.0444 14.1037 14.1040 k = 0.4881 0.2818 0.2762 ( 4664 PWs) bands (ev): -31.0442 -31.0442 -31.0442 -31.0442 -12.3310 -12.3310 -12.3310 -12.3310 -11.9688 -11.9688 -11.9688 -11.9688 -11.9396 -11.9396 -11.9396 -11.9396 -1.0183 -1.0183 -1.0183 -1.0183 3.8202 3.8202 3.8202 3.8202 4.2368 4.2368 4.2368 4.2368 4.6129 4.6129 4.6129 4.6129 5.5396 5.5396 5.5396 5.5396 5.7629 5.7629 5.7629 5.7629 6.2217 6.2217 6.2217 6.2217 8.0013 8.0013 8.0013 8.0013 9.1835 9.1835 9.1835 9.1835 10.9147 10.9147 10.9147 10.9147 12.0420 12.0420 12.0420 12.0420 14.1112 14.1125 k = 0.5000 0.2887 0.2762 ( 4664 PWs) bands (ev): -31.0442 -31.0442 -31.0442 -31.0442 -12.3310 -12.3310 -12.3310 -12.3310 -11.9688 -11.9688 -11.9688 -11.9688 -11.9396 -11.9396 -11.9396 -11.9396 -1.0171 -1.0171 -1.0171 -1.0171 3.8228 3.8228 3.8228 3.8228 4.2351 4.2351 4.2351 4.2351 4.6122 4.6122 4.6122 4.6122 5.5401 5.5401 5.5401 5.5401 5.7600 5.7600 5.7600 5.7600 6.2213 6.2213 6.2213 6.2213 7.9979 7.9979 7.9979 7.9979 9.1867 9.1867 9.1867 9.1867 10.9124 10.9124 10.9124 10.9124 12.0412 12.0412 12.0412 12.0412 14.1140 14.1166 k = 0.5000 0.2887 0.2762 ( 4664 PWs) bands (ev): -31.0442 -31.0442 -31.0442 -31.0442 -12.3310 -12.3310 -12.3310 -12.3310 -11.9688 -11.9688 -11.9688 -11.9688 -11.9396 -11.9396 -11.9396 -11.9396 -1.0171 -1.0171 -1.0171 -1.0171 3.8228 3.8228 3.8228 3.8228 4.2351 4.2351 4.2351 4.2351 4.6122 4.6122 4.6122 4.6122 5.5401 5.5401 5.5401 5.5401 5.7600 5.7600 5.7600 5.7600 6.2213 6.2213 6.2213 6.2213 7.9979 7.9979 7.9979 7.9979 9.1867 9.1867 9.1867 9.1867 10.9124 10.9124 10.9124 10.9124 12.0412 12.0412 12.0412 12.0412 14.1136 14.1166 k = 0.4931 0.3007 0.2762 ( 4660 PWs) bands (ev): -31.0442 -31.0442 -31.0442 -31.0442 -12.3310 -12.3310 -12.3309 -12.3309 -11.9688 -11.9688 -11.9688 -11.9688 -11.9397 -11.9397 -11.9396 -11.9396 -1.0175 -1.0175 -1.0159 -1.0159 3.8224 3.8224 3.8226 3.8226 4.2203 4.2203 4.2522 4.2522 4.6019 4.6019 4.6231 4.6231 5.5286 5.5286 5.5508 5.5508 5.7557 5.7557 5.7653 5.7653 6.2172 6.2172 6.2248 6.2248 7.9674 7.9674 8.0151 8.0151 9.1846 9.1846 9.1909 9.1909 10.9104 10.9104 10.9164 10.9164 12.0411 12.0411 12.0557 12.0557 14.1067 14.1120 k = 0.4861 0.3127 0.2762 ( 4664 PWs) bands (ev): -31.0442 -31.0442 -31.0442 -31.0442 -12.3311 -12.3311 -12.3309 -12.3309 -11.9687 -11.9687 -11.9687 -11.9687 -11.9399 -11.9399 -11.9397 -11.9397 -1.0171 -1.0171 -1.0140 -1.0140 3.8216 3.8216 3.8219 3.8219 4.2079 4.2079 4.2716 4.2716 4.5922 4.5922 4.6343 4.6343 5.5167 5.5167 5.5607 5.5607 5.7523 5.7523 5.7715 5.7715 6.2125 6.2125 6.2277 6.2277 7.9245 7.9245 8.0187 8.0187 9.1845 9.1845 9.1972 9.1972 10.9107 10.9107 10.9222 10.9222 12.0554 12.0554 12.0840 12.0840 14.0923 14.1034 k = 0.4792 0.3248 0.2762 ( 4664 PWs) bands (ev): -31.0442 -31.0442 -31.0441 -31.0441 -12.3311 -12.3311 -12.3309 -12.3309 -11.9687 -11.9687 -11.9687 -11.9687 -11.9401 -11.9401 -11.9398 -11.9398 -1.0160 -1.0160 -1.0114 -1.0114 3.8202 3.8202 3.8208 3.8208 4.1978 4.1978 4.2931 4.2931 4.5833 4.5833 4.6456 4.6456 5.5044 5.5044 5.5694 5.5694 5.7500 5.7500 5.7787 5.7787 6.2071 6.2071 6.2300 6.2300 7.8702 7.8702 8.0089 8.0089 9.1862 9.1862 9.2056 9.2056 10.9131 10.9131 10.9293 10.9293 12.0839 12.0839 12.1258 12.1258 14.0767 14.0858 k = 0.4722 0.3368 0.2762 ( 4688 PWs) bands (ev): -31.0442 -31.0442 -31.0442 -31.0442 -12.3313 -12.3313 -12.3309 -12.3309 -11.9686 -11.9686 -11.9686 -11.9686 -11.9404 -11.9404 -11.9400 -11.9400 -1.0142 -1.0142 -1.0081 -1.0081 3.8185 3.8185 3.8194 3.8194 4.1898 4.1898 4.3165 4.3165 4.5755 4.5755 4.6570 4.6570 5.4919 5.4919 5.5768 5.5768 5.7489 5.7489 5.7870 5.7870 6.2009 6.2009 6.2318 6.2318 7.8058 7.8058 7.9861 7.9861 9.1897 9.1897 9.2162 9.2162 10.9173 10.9173 10.9371 10.9371 12.1261 12.1261 12.1800 12.1800 14.0594 14.0655 k = 0.4653 0.3488 0.2762 ( 4688 PWs) bands (ev): -31.0442 -31.0442 -31.0441 -31.0441 -12.3313 -12.3313 -12.3309 -12.3309 -11.9685 -11.9685 -11.9685 -11.9685 -11.9407 -11.9407 -11.9402 -11.9402 -1.0116 -1.0116 -1.0040 -1.0040 3.8165 3.8165 3.8178 3.8178 4.1836 4.1836 4.3414 4.3414 4.5691 4.5691 4.6682 4.6682 5.4793 5.4793 5.5826 5.5826 5.7492 5.7492 5.7965 5.7965 6.1941 6.1941 6.2331 6.2331 7.7328 7.7328 7.9513 7.9513 9.1948 9.1948 9.2287 9.2287 10.9230 10.9230 10.9453 10.9453 12.1815 12.1815 12.2456 12.2456 14.0388 14.0424 k = 0.4583 0.3608 0.2762 ( 4692 PWs) bands (ev): -31.0441 -31.0441 -31.0441 -31.0441 -12.3314 -12.3314 -12.3309 -12.3309 -11.9683 -11.9683 -11.9683 -11.9683 -11.9411 -11.9411 -11.9405 -11.9405 -1.0084 -1.0084 -0.9994 -0.9994 3.8146 3.8146 3.8161 3.8161 4.1791 4.1791 4.3673 4.3673 4.5645 4.5645 4.6791 4.6791 5.4668 5.4668 5.5866 5.5866 5.7511 5.7511 5.8073 5.8073 6.1866 6.1866 6.2341 6.2341 7.6526 7.6526 7.9056 7.9056 9.2015 9.2015 9.2430 9.2430 10.9297 10.9297 10.9534 10.9534 12.2491 12.2491 12.3212 12.3212 14.0187 14.0192 k = 0.4514 0.3729 0.2762 ( 4694 PWs) bands (ev): -31.0441 -31.0441 -31.0441 -31.0441 -12.3315 -12.3315 -12.3309 -12.3309 -11.9681 -11.9681 -11.9681 -11.9681 -11.9415 -11.9415 -11.9409 -11.9409 -1.0046 -1.0046 -0.9942 -0.9942 3.8128 3.8128 3.8144 3.8144 4.1758 4.1758 4.3932 4.3932 4.5625 4.5625 4.6895 4.6895 5.4543 5.4543 5.5887 5.5887 5.7545 5.7545 5.8197 5.8197 6.1784 6.1784 6.2347 6.2347 7.5665 7.5665 7.8506 7.8506 9.2096 9.2096 9.2590 9.2590 10.9368 10.9368 10.9612 10.9612 12.3275 12.3275 12.4054 12.4054 13.9967 13.9973 k = 0.4444 0.3849 0.2762 ( 4688 PWs) bands (ev): -31.0441 -31.0441 -31.0441 -31.0441 -12.3316 -12.3316 -12.3309 -12.3309 -11.9679 -11.9679 -11.9679 -11.9679 -11.9420 -11.9420 -11.9413 -11.9413 -1.0002 -1.0002 -0.9884 -0.9884 3.8114 3.8114 3.8128 3.8128 4.1735 4.1735 4.4178 4.4178 4.5642 4.5642 4.6991 4.6991 5.4421 5.4421 5.5888 5.5888 5.7595 5.7595 5.8339 5.8339 6.1695 6.1695 6.2351 6.2351 7.4762 7.4762 7.7875 7.7875 9.2190 9.2190 9.2763 9.2763 10.9439 10.9439 10.9686 10.9686 12.4156 12.4156 12.4965 12.4965 13.9723 13.9765 k = 0.4375 0.3969 0.2762 ( 4690 PWs) bands (ev): -31.0441 -31.0441 -31.0441 -31.0441 -12.3317 -12.3317 -12.3309 -12.3309 -11.9677 -11.9677 -11.9677 -11.9677 -11.9425 -11.9425 -11.9417 -11.9417 -0.9953 -0.9953 -0.9822 -0.9822 3.8106 3.8106 3.8115 3.8115 4.1719 4.1719 4.4392 4.4392 4.5713 4.5713 4.7079 4.7079 5.4303 5.4303 5.5871 5.5871 5.7660 5.7660 5.8500 5.8500 6.1600 6.1600 6.2353 6.2353 7.3827 7.3827 7.7178 7.7178 9.2297 9.2297 9.2949 9.2949 10.9508 10.9508 10.9753 10.9753 12.5117 12.5117 12.5928 12.5928 13.9477 13.9511 k = 0.4306 0.4090 0.2762 ( 4686 PWs) bands (ev): -31.0441 -31.0441 -31.0441 -31.0441 -12.3318 -12.3318 -12.3309 -12.3309 -11.9674 -11.9674 -11.9674 -11.9674 -11.9431 -11.9431 -11.9422 -11.9422 -0.9900 -0.9900 -0.9757 -0.9757 3.8105 3.8105 3.8107 3.8107 4.1706 4.1706 4.4556 4.4556 4.5855 4.5855 4.7158 4.7158 5.4188 5.4188 5.5837 5.5837 5.7739 5.7739 5.8683 5.8683 6.1498 6.1498 6.2355 6.2355 7.2873 7.2873 7.6428 7.6428 9.2414 9.2414 9.3144 9.3144 10.9571 10.9571 10.9813 10.9813 12.6140 12.6140 12.6927 12.6927 13.9245 13.9256 k = 0.4236 0.4210 0.2762 ( 4674 PWs) bands (ev): -31.0441 -31.0441 -31.0440 -31.0440 -12.3318 -12.3318 -12.3309 -12.3309 -11.9671 -11.9671 -11.9671 -11.9671 -11.9436 -11.9436 -11.9426 -11.9426 -0.9844 -0.9844 -0.9688 -0.9688 3.8099 3.8099 3.8116 3.8116 4.1694 4.1694 4.4664 4.4664 4.6070 4.6070 4.7224 4.7224 5.4079 5.4079 5.5789 5.5789 5.7830 5.7830 5.8888 5.8888 6.1392 6.1392 6.2357 6.2357 7.1912 7.1912 7.5637 7.5637 9.2540 9.2540 9.3347 9.3347 10.9628 10.9628 10.9867 10.9867 12.7209 12.7209 12.7943 12.7943 13.9019 13.9031 k = 0.4167 0.4330 0.2762 ( 4678 PWs) bands (ev): -31.0440 -31.0440 -31.0440 -31.0440 -12.3320 -12.3320 -12.3310 -12.3310 -11.9668 -11.9668 -11.9668 -11.9668 -11.9442 -11.9442 -11.9432 -11.9432 -0.9785 -0.9785 -0.9618 -0.9618 3.8097 3.8097 3.8137 3.8137 4.1679 4.1679 4.4726 4.4726 4.6344 4.6344 4.7279 4.7279 5.3976 5.3976 5.5729 5.5729 5.7930 5.7930 5.9117 5.9117 6.1281 6.1281 6.2361 6.2361 7.0954 7.0954 7.4816 7.4816 9.2673 9.2673 9.3554 9.3554 10.9676 10.9676 10.9913 10.9913 12.8303 12.8303 12.8959 12.8959 13.8805 13.8814 k = 0.4097 0.4450 0.2762 ( 4682 PWs) bands (ev): -31.0440 -31.0440 -31.0440 -31.0440 -12.3321 -12.3321 -12.3310 -12.3310 -11.9666 -11.9666 -11.9665 -11.9665 -11.9448 -11.9448 -11.9437 -11.9437 -0.9724 -0.9724 -0.9547 -0.9547 3.8099 3.8099 3.8169 3.8169 4.1659 4.1659 4.4762 4.4762 4.6655 4.6655 4.7322 4.7322 5.3879 5.3879 5.5659 5.5659 5.8039 5.8039 5.9371 5.9371 6.1167 6.1167 6.2370 6.2370 7.0010 7.0010 7.3976 7.3976 9.2811 9.2811 9.3763 9.3763 10.9715 10.9715 10.9952 10.9952 12.9402 12.9402 12.9955 12.9955 13.8604 13.8614 k = 0.4028 0.4571 0.2762 ( 4688 PWs) bands (ev): -31.0440 -31.0440 -31.0440 -31.0440 -12.3322 -12.3322 -12.3311 -12.3311 -11.9663 -11.9663 -11.9662 -11.9662 -11.9455 -11.9455 -11.9443 -11.9443 -0.9662 -0.9662 -0.9475 -0.9475 3.8106 3.8106 3.8213 3.8213 4.1632 4.1632 4.4784 4.4784 4.6985 4.6985 4.7352 4.7352 5.3789 5.3789 5.5583 5.5583 5.8154 5.8154 5.9648 5.9648 6.1049 6.1049 6.2385 6.2385 6.9090 6.9090 7.3124 7.3124 9.2952 9.2952 9.3972 9.3972 10.9745 10.9745 10.9984 10.9984 13.0487 13.0487 13.0914 13.0914 13.8417 13.8420 k = 0.3958 0.4691 0.2762 ( 4688 PWs) bands (ev): -31.0440 -31.0440 -31.0440 -31.0440 -12.3323 -12.3323 -12.3311 -12.3311 -11.9660 -11.9660 -11.9659 -11.9659 -11.9461 -11.9461 -11.9448 -11.9448 -0.9601 -0.9601 -0.9405 -0.9405 3.8117 3.8117 3.8270 3.8270 4.1596 4.1596 4.4799 4.4799 4.7322 4.7322 4.7371 4.7371 5.3708 5.3708 5.5501 5.5501 5.8275 5.8275 5.9945 5.9945 6.0931 6.0931 6.2413 6.2413 6.8203 6.8203 7.2268 7.2268 9.3094 9.3094 9.4177 9.4177 10.9766 10.9766 11.0009 11.0009 13.1536 13.1536 13.1820 13.1820 13.8248 13.8250 k = 0.3889 0.4811 0.2762 ( 4670 PWs) bands (ev): -31.0440 -31.0440 -31.0440 -31.0440 -12.3323 -12.3323 -12.3311 -12.3311 -11.9657 -11.9657 -11.9656 -11.9656 -11.9466 -11.9466 -11.9452 -11.9452 -0.9542 -0.9542 -0.9337 -0.9337 3.8132 3.8132 3.8339 3.8339 4.1550 4.1550 4.4812 4.4812 4.7379 4.7379 4.7654 4.7654 5.3634 5.3634 5.5417 5.5417 5.8401 5.8401 6.0255 6.0255 6.0813 6.0813 6.2461 6.2461 6.7360 6.7360 7.1416 7.1416 9.3233 9.3233 9.4376 9.4376 10.9778 10.9778 11.0027 11.0027 13.2528 13.2528 13.2657 13.2657 13.8100 13.8101 k = 0.3819 0.4932 0.2762 ( 4664 PWs) bands (ev): -31.0440 -31.0440 -31.0439 -31.0439 -12.3324 -12.3324 -12.3311 -12.3311 -11.9654 -11.9654 -11.9653 -11.9653 -11.9471 -11.9471 -11.9457 -11.9457 -0.9485 -0.9485 -0.9273 -0.9273 3.8149 3.8149 3.8419 3.8419 4.1494 4.1494 4.4826 4.4826 4.7378 4.7378 4.7973 4.7973 5.3568 5.3568 5.5334 5.5334 5.8530 5.8530 6.0568 6.0568 6.0698 6.0698 6.2541 6.2541 6.6570 6.6570 7.0573 7.0573 9.3368 9.3368 9.4565 9.4565 10.9781 10.9781 11.0039 11.0039 13.3413 13.3413 13.3444 13.3444 13.7973 13.7973 k = 0.3750 0.5052 0.2762 ( 4660 PWs) bands (ev): -31.0439 -31.0439 -31.0439 -31.0439 -12.3325 -12.3325 -12.3312 -12.3312 -11.9652 -11.9652 -11.9651 -11.9651 -11.9476 -11.9476 -11.9462 -11.9462 -0.9431 -0.9431 -0.9214 -0.9214 3.8169 3.8169 3.8509 3.8509 4.1427 4.1427 4.4840 4.4840 4.7370 4.7370 4.8269 4.8269 5.3512 5.3512 5.5253 5.5253 5.8660 5.8660 6.0587 6.0587 6.0863 6.0863 6.2673 6.2673 6.5845 6.5845 6.9745 6.9745 9.3495 9.3495 9.4740 9.4740 10.9777 10.9777 11.0044 11.0044 13.4080 13.4080 13.4269 13.4269 13.7870 13.7870 k = 0.3681 0.5172 0.2762 ( 4676 PWs) bands (ev): -31.0439 -31.0439 -31.0439 -31.0439 -12.3326 -12.3326 -12.3312 -12.3312 -11.9650 -11.9650 -11.9648 -11.9648 -11.9481 -11.9481 -11.9466 -11.9466 -0.9383 -0.9383 -0.9160 -0.9160 3.8191 3.8191 3.8606 3.8606 4.1352 4.1352 4.4857 4.4857 4.7358 4.7358 4.8534 4.8534 5.3464 5.3464 5.5178 5.5178 5.8790 5.8790 6.0484 6.0484 6.1116 6.1116 6.2879 6.2879 6.5196 6.5196 6.8936 6.8936 9.3612 9.3612 9.4899 9.4899 10.9766 10.9766 11.0043 11.0043 13.4651 13.4651 13.4989 13.4989 13.7791 13.7791 k = 0.3611 0.5292 0.2762 ( 4680 PWs) bands (ev): -31.0439 -31.0439 -31.0439 -31.0439 -12.3326 -12.3326 -12.3313 -12.3313 -11.9648 -11.9648 -11.9647 -11.9647 -11.9485 -11.9485 -11.9470 -11.9470 -0.9341 -0.9341 -0.9113 -0.9113 3.8212 3.8212 3.8704 3.8704 4.1272 4.1272 4.4873 4.4873 4.7343 4.7343 4.8759 4.8759 5.3425 5.3425 5.5112 5.5112 5.8914 5.8914 6.0391 6.0391 6.1308 6.1308 6.3180 6.3180 6.4635 6.4635 6.8152 6.8152 9.3714 9.3714 9.5038 9.5038 10.9752 10.9752 11.0038 11.0038 13.5125 13.5125 13.5597 13.5597 13.7734 13.7734 k = 0.3542 0.5413 0.2762 ( 4684 PWs) bands (ev): -31.0439 -31.0439 -31.0439 -31.0439 -12.3327 -12.3327 -12.3313 -12.3313 -11.9646 -11.9646 -11.9645 -11.9645 -11.9488 -11.9488 -11.9473 -11.9473 -0.9306 -0.9306 -0.9075 -0.9075 3.8231 3.8231 3.8799 3.8799 4.1192 4.1192 4.4890 4.4890 4.7328 4.7328 4.8939 4.8939 5.3395 5.3395 5.5057 5.5057 5.9026 5.9026 6.0313 6.0313 6.1437 6.1437 6.3573 6.3573 6.4177 6.4177 6.7400 6.7400 9.3800 9.3800 9.5152 9.5152 10.9735 10.9735 11.0030 11.0030 13.5499 13.5499 13.6090 13.6090 13.7691 13.7692 k = 0.3472 0.5533 0.2762 ( 4686 PWs) bands (ev): -31.0439 -31.0439 -31.0439 -31.0439 -12.3327 -12.3327 -12.3313 -12.3313 -11.9645 -11.9645 -11.9644 -11.9644 -11.9491 -11.9491 -11.9475 -11.9475 -0.9280 -0.9280 -0.9047 -0.9047 3.8247 3.8247 3.8882 3.8882 4.1121 4.1121 4.4904 4.4904 4.7315 4.7315 4.9068 4.9068 5.3374 5.3374 5.5015 5.5015 5.9116 5.9116 6.0254 6.0254 6.1514 6.1514 6.3836 6.3836 6.4038 6.4038 6.6690 6.6690 9.3865 9.3865 9.5238 9.5238 10.9719 10.9719 11.0021 11.0021 13.5772 13.5772 13.6468 13.6468 13.7649 13.7649 k = 0.3403 0.5653 0.2762 ( 4686 PWs) bands (ev): -31.0439 -31.0439 -31.0439 -31.0439 -12.3327 -12.3327 -12.3314 -12.3314 -11.9645 -11.9645 -11.9643 -11.9643 -11.9492 -11.9492 -11.9476 -11.9476 -0.9263 -0.9263 -0.9029 -0.9029 3.8258 3.8258 3.8940 3.8940 4.1069 4.1069 4.4914 4.4914 4.7305 4.7305 4.9144 4.9144 5.3362 5.3362 5.4988 5.4988 5.9174 5.9174 6.0219 6.0219 6.1554 6.1554 6.3625 6.3625 6.4534 6.4534 6.6052 6.6052 9.3906 9.3906 9.5292 9.5292 10.9706 10.9706 11.0014 11.0014 13.5941 13.5941 13.6725 13.6725 13.7594 13.7594 k = 0.3333 0.5774 0.2762 ( 4686 PWs) bands (ev): -31.0439 -31.0439 -31.0439 -31.0439 -12.3328 -12.3328 -12.3314 -12.3314 -11.9645 -11.9645 -11.9643 -11.9643 -11.9493 -11.9493 -11.9476 -11.9476 -0.9258 -0.9258 -0.9022 -0.9022 3.8263 3.8263 3.8962 3.8962 4.1050 4.1050 4.4917 4.4917 4.7302 4.7302 4.9168 4.9168 5.3357 5.3357 5.4979 5.4979 5.9193 5.9193 6.0208 6.0208 6.1566 6.1566 6.3553 6.3553 6.4849 6.4849 6.5691 6.5691 9.3921 9.3921 9.5311 9.5311 10.9702 10.9702 11.0011 11.0011 13.5998 13.5998 13.6826 13.6826 13.7557 13.7558 k = 0.3333 0.5774 0.2762 ( 4686 PWs) bands (ev): -31.0439 -31.0439 -31.0439 -31.0439 -12.3328 -12.3328 -12.3314 -12.3314 -11.9645 -11.9645 -11.9643 -11.9643 -11.9493 -11.9493 -11.9476 -11.9476 -0.9258 -0.9258 -0.9022 -0.9022 3.8263 3.8263 3.8962 3.8962 4.1050 4.1050 4.4917 4.4917 4.7302 4.7302 4.9168 4.9168 5.3357 5.3357 5.4979 5.4979 5.9193 5.9193 6.0208 6.0208 6.1566 6.1566 6.3553 6.3553 6.4849 6.4849 6.5691 6.5691 9.3921 9.3921 9.5311 9.5311 10.9702 10.9702 11.0011 11.0011 13.5998 13.5998 13.6826 13.6826 13.7557 13.7557 k = 0.3264 0.5653 0.2762 ( 4690 PWs) bands (ev): -31.0439 -31.0439 -31.0439 -31.0439 -12.3328 -12.3328 -12.3314 -12.3314 -11.9645 -11.9645 -11.9643 -11.9643 -11.9492 -11.9492 -11.9476 -11.9476 -0.9264 -0.9264 -0.9029 -0.9029 3.8258 3.8258 3.8938 3.8938 4.1072 4.1072 4.4913 4.4913 4.7306 4.7306 4.9146 4.9146 5.3361 5.3361 5.4989 5.4989 5.9176 5.9176 6.0217 6.0217 6.1554 6.1554 6.3624 6.3624 6.4534 6.4534 6.6052 6.6052 9.3905 9.3905 9.5291 9.5291 10.9708 10.9708 11.0015 11.0015 13.5941 13.5941 13.6719 13.6719 13.7611 13.7612 k = 0.3194 0.5533 0.2762 ( 4686 PWs) bands (ev): -31.0439 -31.0439 -31.0439 -31.0439 -12.3327 -12.3327 -12.3313 -12.3313 -11.9645 -11.9645 -11.9644 -11.9644 -11.9491 -11.9491 -11.9475 -11.9475 -0.9283 -0.9283 -0.9049 -0.9049 3.8242 3.8242 3.8863 3.8863 4.1138 4.1138 4.4899 4.4899 4.7318 4.7318 4.9082 4.9082 5.3373 5.3373 5.5018 5.5018 5.9135 5.9135 6.0241 6.0241 6.1519 6.1519 6.3830 6.3830 6.4041 6.4041 6.6688 6.6688 9.3857 9.3857 9.5229 9.5229 10.9729 10.9729 11.0030 11.0030 13.5777 13.5777 13.6447 13.6447 13.7746 13.7746 k = 0.3125 0.5413 0.2762 ( 4690 PWs) bands (ev): -31.0439 -31.0439 -31.0439 -31.0439 -12.3327 -12.3327 -12.3313 -12.3313 -11.9646 -11.9646 -11.9645 -11.9645 -11.9489 -11.9489 -11.9473 -11.9473 -0.9315 -0.9315 -0.9084 -0.9084 3.8214 3.8214 3.8744 3.8744 4.1245 4.1245 4.4873 4.4873 4.7340 4.7340 4.8984 4.8984 5.3390 5.3390 5.5069 5.5069 5.9082 5.9082 6.0275 6.0275 6.1455 6.1455 6.3579 6.3579 6.4159 6.4159 6.7397 6.7397 9.3773 9.3773 9.5124 9.5124 10.9768 10.9768 11.0060 11.0060 13.5527 13.5527 13.6091 13.6091 13.7912 13.7912 k = 0.3056 0.5292 0.2762 ( 4694 PWs) bands (ev): -31.0439 -31.0439 -31.0439 -31.0439 -12.3326 -12.3326 -12.3313 -12.3313 -11.9647 -11.9647 -11.9646 -11.9646 -11.9486 -11.9486 -11.9470 -11.9470 -0.9362 -0.9362 -0.9134 -0.9134 3.8172 3.8172 3.8587 3.8587 4.1383 4.1383 4.4837 4.4837 4.7372 4.7372 4.8860 4.8860 5.3414 5.3414 5.5140 5.5140 5.9034 5.9034 6.0317 6.0317 6.1354 6.1354 6.3186 6.3186 6.4593 6.4593 6.8150 6.8150 9.3652 9.3652 9.4974 9.4974 10.9830 10.9830 11.0108 11.0108 13.5217 13.5217 13.5689 13.5689 13.8082 13.8083 k = 0.2986 0.5172 0.2762 ( 4678 PWs) bands (ev): -31.0439 -31.0439 -31.0439 -31.0439 -12.3325 -12.3325 -12.3312 -12.3312 -11.9648 -11.9648 -11.9647 -11.9647 -11.9482 -11.9482 -11.9466 -11.9466 -0.9424 -0.9424 -0.9200 -0.9200 3.8115 3.8115 3.8403 3.8403 4.1541 4.1541 4.4790 4.4790 4.7414 4.7414 4.8716 4.8716 5.3443 5.3443 5.5231 5.5231 5.9002 5.9002 6.0367 6.0367 6.1213 6.1213 6.2881 6.2881 6.5116 6.5116 6.8939 6.8939 9.3493 9.3493 9.4777 9.4777 10.9917 10.9917 11.0179 11.0179 13.4867 13.4867 13.5264 13.5264 13.8231 13.8231 k = 0.2917 0.5052 0.2762 ( 4674 PWs) bands (ev): -31.0440 -31.0440 -31.0439 -31.0439 -12.3324 -12.3324 -12.3311 -12.3311 -11.9650 -11.9650 -11.9648 -11.9648 -11.9477 -11.9477 -11.9462 -11.9462 -0.9501 -0.9501 -0.9282 -0.9282 3.8041 3.8041 3.8200 3.8200 4.1711 4.1711 4.4735 4.4735 4.7464 4.7464 4.8556 4.8556 5.3475 5.3475 5.5339 5.5339 5.8999 5.8999 6.0425 6.0425 6.1035 6.1035 6.2666 6.2666 6.5717 6.5717 6.9758 6.9758 9.3294 9.3294 9.4535 9.4535 11.0031 11.0031 11.0274 11.0274 13.4491 13.4491 13.4825 13.4825 13.8324 13.8324 k = 0.2847 0.4932 0.2762 ( 4670 PWs) bands (ev): -31.0440 -31.0440 -31.0440 -31.0440 -12.3322 -12.3322 -12.3310 -12.3310 -11.9651 -11.9651 -11.9650 -11.9650 -11.9472 -11.9472 -11.9457 -11.9457 -0.9594 -0.9594 -0.9381 -0.9381 3.7952 3.7952 3.7985 3.7985 4.1884 4.1884 4.4674 4.4674 4.7521 4.7521 4.8385 4.8385 5.3510 5.3510 5.5456 5.5456 5.9036 5.9036 6.0491 6.0491 6.0841 6.0841 6.2530 6.2530 6.6382 6.6382 7.0606 7.0606 9.3056 9.3056 9.4248 9.4248 11.0174 11.0174 11.0398 11.0398 13.4098 13.4098 13.4379 13.4379 13.8314 13.8315 k = 0.2778 0.4811 0.2762 ( 4676 PWs) bands (ev): -31.0440 -31.0440 -31.0440 -31.0440 -12.3321 -12.3321 -12.3309 -12.3309 -11.9652 -11.9652 -11.9651 -11.9651 -11.9466 -11.9466 -11.9452 -11.9452 -0.9703 -0.9703 -0.9496 -0.9496 3.7764 3.7764 3.7848 3.7848 4.2054 4.2054 4.4611 4.4611 4.7582 4.7582 4.8204 4.8204 5.3547 5.3547 5.5575 5.5575 5.9126 5.9126 6.0567 6.0567 6.0656 6.0656 6.2452 6.2452 6.7104 6.7104 7.1481 7.1481 9.2780 9.2780 9.3919 9.3919 11.0348 11.0348 11.0552 11.0552 13.3694 13.3694 13.3930 13.3930 13.8157 13.8157 k = 0.2708 0.4691 0.2762 ( 4672 PWs) bands (ev): -31.0441 -31.0441 -31.0440 -31.0440 -12.3319 -12.3319 -12.3307 -12.3307 -11.9653 -11.9653 -11.9652 -11.9652 -11.9460 -11.9460 -11.9446 -11.9446 -0.9828 -0.9828 -0.9628 -0.9628 3.7542 3.7542 3.7729 3.7729 4.2217 4.2217 4.4547 4.4547 4.7643 4.7643 4.8015 4.8015 5.3585 5.3585 5.5685 5.5685 5.9275 5.9275 6.0503 6.0503 6.0656 6.0656 6.2419 6.2419 6.7874 6.7874 7.2380 7.2380 9.2467 9.2467 9.3550 9.3550 11.0553 11.0553 11.0738 11.0738 13.3282 13.3282 13.3481 13.3481 13.7830 13.7830 k = 0.2639 0.4571 0.2762 ( 4668 PWs) bands (ev): -31.0441 -31.0441 -31.0441 -31.0441 -12.3317 -12.3317 -12.3305 -12.3305 -11.9654 -11.9654 -11.9653 -11.9653 -11.9454 -11.9454 -11.9440 -11.9440 -0.9970 -0.9970 -0.9777 -0.9777 3.7323 3.7323 3.7597 3.7597 4.2368 4.2368 4.4487 4.4487 4.7698 4.7698 4.7820 4.7820 5.3624 5.3624 5.5777 5.5777 5.9484 5.9484 6.0397 6.0397 6.0766 6.0766 6.2421 6.2421 6.8687 6.8687 7.3302 7.3302 9.2118 9.2118 9.3145 9.3145 11.0789 11.0789 11.0958 11.0958 13.2865 13.2865 13.3030 13.3030 13.7346 13.7346 k = 0.2569 0.4450 0.2762 ( 4680 PWs) bands (ev): -31.0441 -31.0441 -31.0441 -31.0441 -12.3315 -12.3315 -12.3304 -12.3304 -11.9655 -11.9655 -11.9654 -11.9654 -11.9447 -11.9447 -11.9434 -11.9434 -1.0127 -1.0127 -0.9942 -0.9942 3.7108 3.7108 3.7455 3.7455 4.2507 4.2507 4.4432 4.4432 4.7618 4.7618 4.7743 4.7743 5.3665 5.3665 5.5847 5.5847 5.9741 5.9741 6.0344 6.0344 6.0917 6.0917 6.2456 6.2456 6.9539 6.9539 7.4245 7.4245 9.1738 9.1738 9.2707 9.2707 11.1056 11.1056 11.1211 11.1211 13.2442 13.2442 13.2580 13.2580 13.6736 13.6736 k = 0.2500 0.4330 0.2762 ( 4680 PWs) bands (ev): -31.0442 -31.0442 -31.0442 -31.0442 -12.3312 -12.3312 -12.3302 -12.3302 -11.9656 -11.9656 -11.9654 -11.9654 -11.9440 -11.9440 -11.9428 -11.9428 -1.0299 -1.0299 -1.0122 -1.0122 3.6900 3.6900 3.7305 3.7305 4.2631 4.2631 4.4383 4.4383 4.7412 4.7412 4.7772 4.7772 5.3708 5.3708 5.5891 5.5891 6.0008 6.0008 6.0346 6.0346 6.1144 6.1144 6.2528 6.2528 7.0424 7.0424 7.5207 7.5207 9.1329 9.1329 9.2241 9.2241 11.1354 11.1354 11.1499 11.1499 13.2014 13.2014 13.2127 13.2127 13.6038 13.6038 k = 0.2431 0.4210 0.2762 ( 4682 PWs) bands (ev): -31.0442 -31.0442 -31.0442 -31.0442 -12.3309 -12.3309 -12.3299 -12.3299 -11.9656 -11.9656 -11.9654 -11.9654 -11.9433 -11.9433 -11.9420 -11.9420 -1.0486 -1.0486 -1.0318 -1.0318 3.6702 3.6702 3.7149 3.7149 4.2741 4.2741 4.4342 4.4342 4.7203 4.7203 4.7779 4.7779 5.3755 5.3755 5.5913 5.5913 6.0235 6.0235 6.0396 6.0396 6.1492 6.1492 6.2646 6.2646 7.1338 7.1338 7.6187 7.6187 9.0895 9.0895 9.1750 9.1750 11.1682 11.1682 11.1822 11.1822 13.1578 13.1578 13.1669 13.1669 13.5283 13.5283 k = 0.2361 0.4090 0.2762 ( 4682 PWs) bands (ev): -31.0443 -31.0443 -31.0443 -31.0443 -12.3306 -12.3306 -12.3297 -12.3297 -11.9656 -11.9656 -11.9654 -11.9654 -11.9425 -11.9425 -11.9413 -11.9413 -1.0687 -1.0687 -1.0528 -1.0528 3.6514 3.6514 3.6990 3.6990 4.2837 4.2837 4.4307 4.4307 4.6993 4.6993 4.7762 4.7762 5.3809 5.3809 5.5917 5.5917 6.0399 6.0399 6.0480 6.0480 6.1979 6.1979 6.2822 6.2822 7.2280 7.2280 7.7183 7.7183 9.0440 9.0440 9.1241 9.1241 11.2038 11.2038 11.2178 11.2178 13.1132 13.1132 13.1200 13.1200 13.4502 13.4502 k = 0.2292 0.3969 0.2762 ( 4674 PWs) bands (ev): -31.0443 -31.0443 -31.0443 -31.0443 -12.3303 -12.3303 -12.3294 -12.3294 -11.9655 -11.9655 -11.9653 -11.9653 -11.9417 -11.9417 -11.9406 -11.9406 -1.0902 -1.0902 -1.0751 -1.0751 3.6337 3.6337 3.6831 3.6831 4.2919 4.2919 4.4279 4.4279 4.6783 4.6783 4.7718 4.7718 5.3869 5.3869 5.5908 5.5908 6.0511 6.0511 6.0582 6.0582 6.2587 6.2587 6.3074 6.3074 7.3245 7.3245 7.8191 7.8191 8.9967 8.9967 9.0718 9.0718 11.2422 11.2422 11.2567 11.2567 13.0673 13.0673 13.0713 13.0713 13.3718 13.3718 k = 0.2222 0.3849 0.2762 ( 4662 PWs) bands (ev): -31.0444 -31.0444 -31.0444 -31.0444 -12.3299 -12.3299 -12.3291 -12.3291 -11.9654 -11.9654 -11.9652 -11.9652 -11.9408 -11.9408 -11.9398 -11.9398 -1.1128 -1.1128 -1.0987 -1.0987 3.6172 3.6172 3.6673 3.6673 4.2989 4.2989 4.4256 4.4256 4.6576 4.6576 4.7647 4.7647 5.3937 5.3937 5.5889 5.5889 6.0589 6.0589 6.0682 6.0682 6.3289 6.3289 6.3416 6.3416 7.4230 7.4230 7.9209 7.9209 8.9482 8.9482 9.0187 9.0187 11.2833 11.2833 11.2988 11.2988 13.0194 13.0194 13.0195 13.0195 13.2958 13.2958 k = 0.2153 0.3729 0.2762 ( 4662 PWs) bands (ev): -31.0445 -31.0445 -31.0444 -31.0444 -12.3296 -12.3296 -12.3288 -12.3288 -11.9653 -11.9653 -11.9651 -11.9651 -11.9400 -11.9400 -11.9390 -11.9390 -1.1366 -1.1366 -1.1234 -1.1234 3.6019 3.6019 3.6518 3.6518 4.3048 4.3048 4.4236 4.4236 4.6375 4.6375 4.7551 4.7551 5.4013 5.4013 5.5864 5.5864 6.0644 6.0644 6.0767 6.0767 6.3857 6.3857 6.4067 6.4067 7.5231 7.5231 8.0231 8.0231 8.8989 8.8989 8.9655 8.9655 11.3267 11.3267 11.3440 11.3440 12.9632 12.9632 12.9691 12.9691 13.2245 13.2245 k = 0.2083 0.3608 0.2762 ( 4662 PWs) bands (ev): -31.0445 -31.0445 -31.0445 -31.0445 -12.3292 -12.3292 -12.3284 -12.3284 -11.9652 -11.9652 -11.9650 -11.9650 -11.9391 -11.9391 -11.9382 -11.9382 -1.1614 -1.1614 -1.1491 -1.1491 3.5878 3.5878 3.6368 3.6368 4.3097 4.3097 4.4217 4.4217 4.6182 4.6182 4.7434 4.7434 5.4097 5.4097 5.5836 5.5836 6.0684 6.0684 6.0830 6.0830 6.4399 6.4399 6.4909 6.4909 7.6247 7.6247 8.1250 8.1250 8.8494 8.8494 8.9133 8.9133 11.3725 11.3725 11.3922 11.3922 12.9013 12.9013 12.9157 12.9157 13.1599 13.1599 k = 0.2014 0.3488 0.2762 ( 4660 PWs) bands (ev): -31.0446 -31.0446 -31.0446 -31.0446 -12.3288 -12.3288 -12.3281 -12.3281 -11.9650 -11.9650 -11.9648 -11.9648 -11.9382 -11.9382 -11.9373 -11.9373 -1.1870 -1.1870 -1.1757 -1.1757 3.5749 3.5749 3.6224 3.6224 4.3137 4.3137 4.4196 4.4196 4.6001 4.6001 4.7300 4.7300 5.4187 5.4187 5.5809 5.5809 6.0712 6.0712 6.0871 6.0871 6.5037 6.5037 6.5805 6.5805 7.7270 7.7270 8.2252 8.2252 8.8003 8.8003 8.8634 8.8634 11.4203 11.4203 11.4432 11.4432 12.8335 12.8335 12.8589 12.8589 13.1030 13.1030 k = 0.1944 0.3368 0.2762 ( 4660 PWs) bands (ev): -31.0447 -31.0447 -31.0447 -31.0447 -12.3284 -12.3284 -12.3277 -12.3277 -11.9649 -11.9649 -11.9647 -11.9647 -11.9373 -11.9373 -11.9365 -11.9365 -1.2135 -1.2135 -1.2030 -1.2030 3.5631 3.5631 3.6087 3.6087 4.3169 4.3169 4.4171 4.4171 4.5836 4.5836 4.7152 4.7152 5.4283 5.4283 5.5782 5.5782 6.0728 6.0728 6.0891 6.0891 6.5762 6.5762 6.6750 6.6750 7.8296 7.8296 8.3208 8.3208 8.7524 8.7524 8.8191 8.8191 11.4698 11.4698 11.4968 11.4968 12.7608 12.7608 12.7985 12.7985 13.0536 13.0536 k = 0.1875 0.3248 0.2762 ( 4654 PWs) bands (ev): -31.0447 -31.0447 -31.0447 -31.0447 -12.3279 -12.3279 -12.3273 -12.3273 -11.9647 -11.9647 -11.9645 -11.9645 -11.9364 -11.9364 -11.9356 -11.9356 -1.2405 -1.2405 -1.2309 -1.2309 3.5524 3.5524 3.5957 3.5957 4.3194 4.3194 4.4138 4.4138 4.5690 4.5690 4.6997 4.6997 5.4384 5.4384 5.5759 5.5759 6.0735 6.0735 6.0894 6.0894 6.6565 6.6565 6.7736 6.7736 7.9314 7.9314 8.4056 8.4056 8.7070 8.7070 8.7866 8.7866 11.5206 11.5206 11.5527 11.5527 12.6851 12.6851 12.7348 12.7348 13.0105 13.0105 k = 0.1806 0.3127 0.2762 ( 4654 PWs) bands (ev): -31.0448 -31.0448 -31.0448 -31.0448 -12.3275 -12.3275 -12.3270 -12.3270 -11.9645 -11.9645 -11.9643 -11.9643 -11.9355 -11.9355 -11.9347 -11.9347 -1.2680 -1.2680 -1.2593 -1.2593 3.5428 3.5428 3.5834 3.5834 4.3213 4.3213 4.4093 4.4093 4.5567 4.5567 4.6838 4.6838 5.4488 5.4488 5.5739 5.5739 6.0732 6.0732 6.0881 6.0881 6.7438 6.7438 6.8758 6.8758 8.0308 8.0308 8.4659 8.4659 8.6659 8.6659 8.7800 8.7800 11.5722 11.5722 11.6108 11.6108 12.6083 12.6083 12.6683 12.6683 12.9725 12.9725 k = 0.1736 0.3007 0.2762 ( 4656 PWs) bands (ev): -31.0449 -31.0449 -31.0449 -31.0449 -12.3271 -12.3271 -12.3266 -12.3266 -11.9642 -11.9642 -11.9640 -11.9640 -11.9345 -11.9345 -11.9338 -11.9338 -1.2958 -1.2958 -1.2879 -1.2879 3.5340 3.5340 3.5719 3.5719 4.3225 4.3225 4.4036 4.4036 4.5469 4.5469 4.6680 4.6680 5.4595 5.4595 5.5725 5.5725 6.0721 6.0721 6.0856 6.0856 6.8370 6.8370 6.9810 6.9810 8.1246 8.1246 8.4857 8.4857 8.6325 8.6325 8.8152 8.8152 11.6234 11.6234 11.6705 11.6705 12.5327 12.5327 12.6000 12.6000 12.9386 12.9386 k = 0.1667 0.2887 0.2762 ( 4652 PWs) bands (ev): -31.0450 -31.0450 -31.0450 -31.0450 -12.3266 -12.3266 -12.3262 -12.3262 -11.9640 -11.9640 -11.9638 -11.9638 -11.9336 -11.9336 -11.9329 -11.9329 -1.3239 -1.3239 -1.3168 -1.3168 3.5261 3.5261 3.5610 3.5610 4.3232 4.3232 4.3966 4.3966 4.5396 4.5396 4.6526 4.6526 5.4704 5.4704 5.5717 5.5717 6.0700 6.0700 6.0820 6.0820 6.9355 6.9355 7.0886 7.0886 8.2065 8.2065 8.4702 8.4702 8.6135 8.6135 8.8872 8.8872 11.6730 11.6730 11.7313 11.7313 12.4606 12.4606 12.5310 12.5310 12.9082 12.9082 k = 0.1597 0.2766 0.2762 ( 4668 PWs) bands (ev): -31.0451 -31.0451 -31.0451 -31.0451 -12.3262 -12.3262 -12.3258 -12.3258 -11.9638 -11.9638 -11.9636 -11.9636 -11.9326 -11.9326 -11.9320 -11.9320 -1.3520 -1.3520 -1.3456 -1.3456 3.5189 3.5189 3.5508 3.5508 4.3234 4.3234 4.3885 4.3885 4.5348 4.5348 4.6381 4.6381 5.4815 5.4815 5.5715 5.5715 6.0671 6.0671 6.0775 6.0775 7.0383 7.0383 7.1977 7.1977 8.2657 8.2657 8.4374 8.4374 8.6202 8.6202 8.9783 8.9783 11.7184 11.7184 11.7921 11.7921 12.3948 12.3948 12.4629 12.4629 12.8806 12.8806 k = 0.1528 0.2646 0.2762 ( 4668 PWs) bands (ev): -31.0452 -31.0452 -31.0451 -31.0451 -12.3257 -12.3257 -12.3254 -12.3254 -11.9635 -11.9635 -11.9634 -11.9634 -11.9316 -11.9316 -11.9311 -11.9311 -1.3800 -1.3800 -1.3743 -1.3743 3.5123 3.5123 3.5412 3.5412 4.3231 4.3231 4.3796 4.3796 4.5321 4.5321 4.6246 4.6246 5.4927 5.4927 5.5720 5.5720 6.0633 6.0633 6.0720 6.0720 7.1444 7.1444 7.3073 7.3073 8.2935 8.2935 8.3984 8.3984 8.6621 8.6621 9.0778 9.0778 11.7558 11.7558 11.8511 11.8511 12.3398 12.3398 12.3979 12.3979 12.8558 12.8558 k = 0.1458 0.2526 0.2762 ( 4664 PWs) bands (ev): -31.0452 -31.0452 -31.0452 -31.0452 -12.3253 -12.3253 -12.3250 -12.3250 -11.9632 -11.9632 -11.9631 -11.9631 -11.9307 -11.9307 -11.9302 -11.9302 -1.4078 -1.4078 -1.4028 -1.4028 3.5062 3.5062 3.5322 3.5322 4.3223 4.3223 4.3704 4.3704 4.5311 4.5311 4.6123 4.6123 5.5040 5.5040 5.5733 5.5733 6.0586 6.0586 6.0658 6.0658 7.2527 7.2527 7.4157 7.4157 8.2958 8.2958 8.3586 8.3586 8.7345 8.7345 9.1808 9.1808 11.7794 11.7794 11.9048 11.9048 12.3014 12.3014 12.3398 12.3398 12.8335 12.8335 k = 0.1389 0.2406 0.2762 ( 4660 PWs) bands (ev): -31.0453 -31.0453 -31.0453 -31.0453 -12.3248 -12.3248 -12.3246 -12.3246 -11.9630 -11.9630 -11.9628 -11.9628 -11.9297 -11.9297 -11.9292 -11.9292 -1.4352 -1.4352 -1.4309 -1.4309 3.5006 3.5006 3.5237 3.5237 4.3211 4.3211 4.3611 4.3611 4.5314 4.5314 4.6014 4.6014 5.5154 5.5154 5.5754 5.5754 6.0531 6.0531 6.0588 6.0588 7.3616 7.3616 7.5207 7.5207 8.2873 8.2873 8.3213 8.3213 8.8247 8.8247 9.2850 9.2850 11.7828 11.7828 11.9453 11.9453 12.2859 12.2859 12.2963 12.2963 12.8137 12.8137 k = 0.1319 0.2285 0.2762 ( 4660 PWs) bands (ev): -31.0454 -31.0454 -31.0454 -31.0454 -12.3244 -12.3244 -12.3242 -12.3242 -11.9627 -11.9627 -11.9626 -11.9626 -11.9287 -11.9287 -11.9283 -11.9283 -1.4622 -1.4622 -1.4584 -1.4584 3.4953 3.4953 3.5156 3.5156 4.3196 4.3196 4.3522 4.3522 4.5328 4.5328 4.5921 4.5921 5.5270 5.5270 5.5784 5.5784 6.0467 6.0467 6.0512 6.0512 7.4687 7.4687 7.6182 7.6182 8.2804 8.2804 8.2895 8.2895 8.9239 8.9239 9.3892 9.3892 11.7634 11.7634 11.9599 11.9599 12.2801 12.2801 12.2961 12.2961 12.7963 12.7963 k = 0.1250 0.2165 0.2762 ( 4650 PWs) bands (ev): -31.0455 -31.0455 -31.0455 -31.0455 -12.3239 -12.3239 -12.3237 -12.3237 -11.9625 -11.9625 -11.9623 -11.9623 -11.9277 -11.9277 -11.9274 -11.9274 -1.4886 -1.4886 -1.4853 -1.4853 3.4902 3.4902 3.5079 3.5079 4.3179 4.3179 4.3438 4.3438 4.5348 4.5348 4.5842 4.5842 5.5386 5.5386 5.5822 5.5822 6.0395 6.0395 6.0428 6.0428 7.5703 7.5703 7.7023 7.7023 8.2674 8.2674 8.2854 8.2854 9.0273 9.0273 9.4923 9.4923 11.7244 11.7244 11.9408 11.9408 12.2989 12.2989 12.3284 12.3284 12.7815 12.7815 k = 0.1181 0.2045 0.2762 ( 4650 PWs) bands (ev): -31.0456 -31.0456 -31.0456 -31.0456 -12.3235 -12.3235 -12.3233 -12.3233 -11.9622 -11.9622 -11.9621 -11.9621 -11.9267 -11.9267 -11.9265 -11.9265 -1.5142 -1.5142 -1.5114 -1.5114 3.4854 3.4854 3.5006 3.5006 4.3159 4.3159 4.3361 4.3361 4.5374 4.5374 4.5778 4.5778 5.5504 5.5504 5.5869 5.5869 6.0315 6.0315 6.0338 6.0338 7.6604 7.6604 7.7656 7.7656 8.2610 8.2610 8.3116 8.3116 9.1326 9.1326 9.5936 9.5936 11.6720 11.6720 11.8959 11.8959 12.3442 12.3442 12.3763 12.3763 12.7694 12.7694 k = 0.1111 0.1925 0.2762 ( 4650 PWs) bands (ev): -31.0456 -31.0456 -31.0456 -31.0456 -12.3231 -12.3231 -12.3230 -12.3230 -11.9620 -11.9620 -11.9619 -11.9619 -11.9258 -11.9258 -11.9256 -11.9256 -1.5390 -1.5390 -1.5366 -1.5366 3.4807 3.4807 3.4936 3.4936 4.3139 4.3139 4.3293 4.3293 4.5403 4.5403 4.5729 4.5729 5.5623 5.5623 5.5925 5.5925 6.0227 6.0227 6.0242 6.0242 7.7305 7.7305 7.8031 7.8031 8.2788 8.2788 8.3650 8.3650 9.2383 9.2383 9.6925 9.6925 11.6113 11.6113 11.8370 11.8370 12.4035 12.4035 12.4342 12.4342 12.7602 12.7602 k = 0.1042 0.1804 0.2762 ( 4654 PWs) bands (ev): -31.0457 -31.0457 -31.0457 -31.0457 -12.3227 -12.3227 -12.3226 -12.3226 -11.9618 -11.9618 -11.9617 -11.9617 -11.9249 -11.9249 -11.9247 -11.9247 -1.5628 -1.5628 -1.5609 -1.5609 3.4761 3.4761 3.4869 3.4869 4.3118 4.3118 4.3233 4.3233 4.5434 4.5434 4.5692 4.5692 5.5744 5.5744 5.5990 5.5990 6.0131 6.0131 6.0139 6.0139 7.7738 7.7738 7.8167 7.8167 8.3274 8.3274 8.4442 8.4442 9.3434 9.3434 9.7882 9.7882 11.5456 11.5456 11.7708 11.7708 12.4692 12.4692 12.4979 12.4979 12.7545 12.7545 k = 0.0972 0.1684 0.2762 ( 4650 PWs) bands (ev): -31.0458 -31.0458 -31.0458 -31.0458 -12.3224 -12.3224 -12.3223 -12.3223 -11.9615 -11.9615 -11.9615 -11.9615 -11.9240 -11.9240 -11.9238 -11.9238 -1.5856 -1.5856 -1.5840 -1.5840 3.4715 3.4715 3.4805 3.4805 4.3099 4.3099 4.3182 4.3182 4.5467 4.5467 4.5667 4.5667 5.5868 5.5868 5.6065 5.6065 6.0028 6.0028 6.0031 6.0031 7.7908 7.7908 7.8131 7.8131 8.4064 8.4064 8.5424 8.5424 9.4472 9.4472 9.8802 9.8802 11.4769 11.4769 11.7003 11.7003 12.5370 12.5370 12.5642 12.5642 12.7530 12.7530 k = 0.0903 0.1564 0.2762 ( 4642 PWs) bands (ev): -31.0459 -31.0459 -31.0459 -31.0459 -12.3220 -12.3220 -12.3219 -12.3219 -11.9613 -11.9613 -11.9613 -11.9613 -11.9231 -11.9231 -11.9230 -11.9230 -1.6072 -1.6072 -1.6060 -1.6060 3.4671 3.4671 3.4743 3.4743 4.3081 4.3081 4.3139 4.3139 4.5499 4.5499 4.5652 4.5652 5.5993 5.5993 5.6148 5.6148 5.9917 5.9917 5.9918 5.9918 7.7889 7.7889 7.7993 7.7993 8.5083 8.5083 8.6529 8.6529 9.5490 9.5490 9.9677 9.9677 11.4063 11.4063 11.6266 11.6266 12.6042 12.6042 12.6293 12.6293 12.7577 12.7577 k = 0.0833 0.1443 0.2762 ( 4634 PWs) bands (ev): -31.0459 -31.0459 -31.0459 -31.0459 -12.3216 -12.3216 -12.3216 -12.3216 -11.9611 -11.9611 -11.9611 -11.9611 -11.9223 -11.9223 -11.9222 -11.9222 -1.6276 -1.6276 -1.6266 -1.6266 3.4628 3.4628 3.4685 3.4685 4.3065 4.3065 4.3105 4.3105 4.5532 4.5532 4.5645 4.5645 5.6121 5.6121 5.6240 5.6240 5.9798 5.9798 5.9801 5.9801 7.7757 7.7757 7.7800 7.7800 8.6251 8.6251 8.7709 8.7709 9.6482 9.6482 10.0501 10.0501 11.3341 11.3341 11.5501 11.5501 12.6681 12.6681 12.6858 12.6858 12.7746 12.7746 k = 0.0764 0.1323 0.2762 ( 4632 PWs) bands (ev): -31.0460 -31.0460 -31.0460 -31.0460 -12.3213 -12.3213 -12.3213 -12.3213 -11.9609 -11.9609 -11.9609 -11.9609 -11.9215 -11.9215 -11.9214 -11.9214 -1.6467 -1.6467 -1.6459 -1.6459 3.4586 3.4586 3.4630 3.4630 4.3052 4.3052 4.3078 4.3078 4.5563 4.5563 4.5645 4.5645 5.6251 5.6251 5.6341 5.6341 5.9673 5.9673 5.9678 5.9678 7.7568 7.7568 7.7581 7.7581 8.7512 8.7512 8.8934 8.8934 9.7443 9.7443 10.1265 10.1265 11.2606 11.2606 11.4706 11.4706 12.7224 12.7224 12.7260 12.7261 12.8137 12.8137 k = 0.0694 0.1203 0.2762 ( 4624 PWs) bands (ev): -31.0460 -31.0460 -31.0460 -31.0460 -12.3210 -12.3210 -12.3210 -12.3210 -11.9608 -11.9608 -11.9607 -11.9607 -11.9208 -11.9208 -11.9207 -11.9207 -1.6644 -1.6644 -1.6638 -1.6638 3.4545 3.4545 3.4579 3.4579 4.3041 4.3041 4.3057 4.3057 4.5592 4.5592 4.5651 4.5651 5.6384 5.6384 5.6450 5.6450 5.9543 5.9543 5.9548 5.9548 7.7353 7.7353 7.7355 7.7355 8.8830 8.8830 9.0183 9.0183 9.8366 9.8366 10.1964 10.1964 11.1859 11.1859 11.3881 11.3881 12.7439 12.7439 12.7755 12.7755 12.8682 12.8682 k = 0.0625 0.1083 0.2762 ( 4624 PWs) bands (ev): -31.0461 -31.0461 -31.0461 -31.0461 -12.3208 -12.3208 -12.3207 -12.3207 -11.9606 -11.9606 -11.9606 -11.9606 -11.9201 -11.9201 -11.9200 -11.9200 -1.6806 -1.6806 -1.6802 -1.6802 3.4506 3.4506 3.4531 3.4531 4.3033 4.3033 4.3043 4.3043 4.5620 4.5620 4.5661 4.5661 5.6520 5.6520 5.6567 5.6567 5.9409 5.9409 5.9414 5.9414 7.7129 7.7129 7.7136 7.7136 9.0185 9.0185 9.1443 9.1443 9.9246 9.9246 10.2589 10.2589 11.1098 11.1098 11.3020 11.3020 12.7626 12.7626 12.8154 12.8154 12.9240 12.9240 k = 0.0556 0.0962 0.2762 ( 4628 PWs) bands (ev): -31.0461 -31.0461 -31.0461 -31.0461 -12.3205 -12.3205 -12.3205 -12.3205 -11.9605 -11.9605 -11.9605 -11.9605 -11.9195 -11.9195 -11.9194 -11.9194 -1.6953 -1.6953 -1.6950 -1.6950 3.4470 3.4470 3.4487 3.4487 4.3027 4.3027 4.3032 4.3032 4.5646 4.5646 4.5673 4.5673 5.6658 5.6658 5.6690 5.6690 5.9271 5.9271 5.9275 5.9275 7.6915 7.6915 7.6923 7.6923 9.1560 9.1560 9.2703 9.2703 10.0076 10.0076 10.3134 10.3134 11.0322 11.0322 11.2123 11.2123 12.7829 12.7829 12.8471 12.8471 12.9712 12.9712 k = 0.0486 0.0842 0.2762 ( 4626 PWs) bands (ev): -31.0462 -31.0462 -31.0462 -31.0462 -12.3203 -12.3203 -12.3203 -12.3203 -11.9604 -11.9604 -11.9604 -11.9604 -11.9189 -11.9189 -11.9189 -11.9189 -1.7084 -1.7084 -1.7082 -1.7082 3.4436 3.4436 3.4448 3.4448 4.3023 4.3023 4.3026 4.3026 4.5669 4.5669 4.5686 4.5686 5.6798 5.6798 5.6819 5.6819 5.9130 5.9130 5.9133 5.9133 7.6718 7.6718 7.6725 7.6725 9.2945 9.2945 9.3954 9.3954 10.0851 10.0851 10.3592 10.3592 10.9531 10.9531 11.1185 11.1185 12.8062 12.8062 12.8739 12.8739 12.9863 12.9863 k = 0.0417 0.0722 0.2762 ( 4634 PWs) bands (ev): -31.0462 -31.0462 -31.0462 -31.0462 -12.3202 -12.3202 -12.3201 -12.3201 -11.9603 -11.9603 -11.9603 -11.9603 -11.9184 -11.9184 -11.9184 -11.9184 -1.7198 -1.7198 -1.7197 -1.7197 3.4405 3.4405 3.4413 3.4413 4.3021 4.3021 4.3022 4.3022 4.5690 4.5690 4.5700 4.5700 5.6940 5.6940 5.6953 5.6953 5.8986 5.8986 5.8989 5.8989 7.6541 7.6541 7.6546 7.6546 9.4327 9.4327 9.5188 9.5188 10.1565 10.1565 10.3957 10.3957 10.8726 10.8726 11.0208 11.0208 12.8326 12.8326 12.8982 12.8982 12.9946 12.9946 k = 0.0347 0.0601 0.2762 ( 4636 PWs) bands (ev): -31.0463 -31.0463 -31.0463 -31.0463 -12.3200 -12.3200 -12.3200 -12.3200 -11.9602 -11.9602 -11.9602 -11.9602 -11.9180 -11.9180 -11.9180 -11.9180 -1.7296 -1.7296 -1.7295 -1.7295 3.4378 3.4378 3.4383 3.4383 4.3020 4.3020 4.3021 4.3021 4.5708 4.5708 4.5713 4.5713 5.7082 5.7082 5.7089 5.7089 5.8842 5.8842 5.8843 5.8843 7.6386 7.6386 7.6390 7.6390 9.5697 9.5697 9.6395 9.6395 10.2210 10.2210 10.4221 10.4221 10.7912 10.7912 10.9196 10.9196 12.8619 12.8619 12.9210 12.9210 12.9978 12.9978 k = 0.0278 0.0481 0.2762 ( 4640 PWs) bands (ev): -31.0463 -31.0463 -31.0463 -31.0463 -12.3199 -12.3199 -12.3199 -12.3199 -11.9601 -11.9601 -11.9601 -11.9601 -11.9177 -11.9177 -11.9177 -11.9177 -1.7376 -1.7376 -1.7376 -1.7376 3.4356 3.4356 3.4358 3.4358 4.3020 4.3020 4.3020 4.3020 4.5722 4.5722 4.5725 4.5725 5.7222 5.7222 5.7226 5.7226 5.8699 5.8699 5.8700 5.8700 7.6257 7.6257 7.6259 7.6259 9.7039 9.7039 9.7563 9.7563 10.2779 10.2779 10.4372 10.4372 10.7105 10.7105 10.8159 10.8159 12.8931 12.8931 12.9418 12.9418 12.9991 12.9991 k = 0.0208 0.0361 0.2762 ( 4640 PWs) bands (ev): -31.0463 -31.0463 -31.0463 -31.0463 -12.3198 -12.3198 -12.3198 -12.3198 -11.9601 -11.9601 -11.9601 -11.9601 -11.9174 -11.9174 -11.9174 -11.9174 -1.7439 -1.7439 -1.7439 -1.7439 3.4337 3.4337 3.4338 3.4338 4.3021 4.3021 4.3021 4.3021 4.5734 4.5734 4.5735 4.5735 5.7357 5.7357 5.7358 5.7358 5.8562 5.8562 5.8563 5.8563 7.6155 7.6155 7.6156 7.6156 9.8330 9.8330 9.8674 9.8674 10.3257 10.3257 10.4384 10.4384 10.6345 10.6345 10.7121 10.7121 12.9244 12.9244 12.9586 12.9586 13.0025 13.0025 k = 0.0139 0.0241 0.2762 ( 4640 PWs) bands (ev): -31.0463 -31.0463 -31.0463 -31.0463 -12.3197 -12.3197 -12.3197 -12.3197 -11.9601 -11.9601 -11.9601 -11.9601 -11.9172 -11.9172 -11.9172 -11.9172 -1.7484 -1.7484 -1.7484 -1.7484 3.4324 3.4324 3.4324 3.4324 4.3021 4.3021 4.3021 4.3021 4.5742 4.5742 4.5743 4.5743 5.7478 5.7478 5.7478 5.7478 5.8439 5.8439 5.8439 5.8439 7.6081 7.6081 7.6082 7.6082 9.9519 9.9519 9.9690 9.9690 10.3612 10.3612 10.4213 10.4213 10.5718 10.5718 10.6147 10.6147 12.9530 12.9530 12.9698 12.9698 13.0091 13.0091 k = 0.0069 0.0120 0.2762 ( 4644 PWs) bands (ev): -31.0463 -31.0463 -31.0463 -31.0463 -12.3197 -12.3197 -12.3197 -12.3197 -11.9600 -11.9600 -11.9600 -11.9600 -11.9171 -11.9171 -11.9171 -11.9171 -1.7511 -1.7511 -1.7511 -1.7511 3.4316 3.4316 3.4316 3.4316 4.3022 4.3022 4.3022 4.3022 4.5747 4.5747 4.5747 4.5747 5.7570 5.7570 5.7570 5.7570 5.8346 5.8346 5.8346 5.8346 7.6037 7.6037 7.6037 7.6037 10.0478 10.0478 10.0515 10.0515 10.3762 10.3762 10.3890 10.3890 10.5321 10.5321 10.5411 10.5411 12.9737 12.9737 12.9770 12.9770 13.0147 13.0147 k = 0.0000 0.0000 0.2762 ( 4652 PWs) bands (ev): -31.0463 -31.0463 -31.0463 -31.0463 -12.3197 -12.3197 -12.3197 -12.3197 -11.9601 -11.9601 -11.9601 -11.9601 -11.9171 -11.9171 -11.9171 -11.9171 -1.7520 -1.7520 -1.7520 -1.7520 3.4313 3.4313 3.4313 3.4313 4.3022 4.3022 4.3022 4.3022 4.5749 4.5749 4.5749 4.5749 5.7606 5.7606 5.7606 5.7606 5.8310 5.8310 5.8310 5.8310 7.6022 7.6022 7.6022 7.6022 10.0884 10.0884 10.0884 10.0884 10.3714 10.3714 10.3714 10.3714 10.5171 10.5171 10.5171 10.5171 12.9804 12.9804 12.9804 12.9804 13.0158 13.0158 k = 0.5000 0.2887 0.2762 ( 4664 PWs) bands (ev): -31.0442 -31.0442 -31.0442 -31.0442 -12.3310 -12.3310 -12.3310 -12.3310 -11.9688 -11.9688 -11.9688 -11.9688 -11.9396 -11.9396 -11.9396 -11.9396 -1.0171 -1.0171 -1.0171 -1.0171 3.8228 3.8228 3.8228 3.8228 4.2351 4.2351 4.2351 4.2351 4.6122 4.6122 4.6122 4.6122 5.5401 5.5401 5.5401 5.5401 5.7600 5.7600 5.7600 5.7600 6.2213 6.2213 6.2213 6.2213 7.9979 7.9979 7.9979 7.9979 9.1867 9.1867 9.1867 9.1867 10.9124 10.9124 10.9124 10.9124 12.0412 12.0412 12.0412 12.0412 14.1139 14.1164 k = 0.5000 0.2887 0.2624 ( 4664 PWs) bands (ev): -31.0443 -31.0443 -31.0440 -31.0440 -12.3318 -12.3318 -12.3302 -12.3302 -11.9702 -11.9702 -11.9674 -11.9674 -11.9397 -11.9397 -11.9395 -11.9395 -1.0178 -1.0178 -1.0164 -1.0164 3.8078 3.8078 3.8381 3.8381 4.2318 4.2318 4.2384 4.2384 4.6076 4.6076 4.6175 4.6175 5.5395 5.5395 5.5406 5.5406 5.7526 5.7526 5.7675 5.7675 6.2172 6.2172 6.2251 6.2251 7.9864 7.9864 8.0093 8.0093 9.1411 9.1411 9.2274 9.2274 10.8751 10.8751 10.9492 10.9492 12.0361 12.0361 12.0583 12.0583 14.1105 14.1204 k = 0.5000 0.2887 0.2486 ( 4664 PWs) bands (ev): -31.0445 -31.0445 -31.0438 -31.0438 -12.3326 -12.3326 -12.3294 -12.3294 -11.9717 -11.9717 -11.9661 -11.9661 -11.9397 -11.9397 -11.9393 -11.9393 -1.0185 -1.0185 -1.0158 -1.0158 3.7931 3.7931 3.8535 3.8535 4.2285 4.2285 4.2417 4.2417 4.6037 4.6037 4.6236 4.6236 5.5390 5.5390 5.5412 5.5412 5.7452 5.7452 5.7750 5.7750 6.2128 6.2128 6.2285 6.2285 7.9750 7.9750 8.0206 8.0206 9.0917 9.0917 9.2618 9.2618 10.8401 10.8401 10.9830 10.9830 12.0425 12.0425 12.0872 12.0872 14.1020 14.1105 k = 0.5000 0.2887 0.2348 ( 4676 PWs) bands (ev): -31.0447 -31.0447 -31.0437 -31.0437 -12.3334 -12.3334 -12.3288 -12.3288 -11.9731 -11.9731 -11.9649 -11.9649 -11.9397 -11.9397 -11.9391 -11.9391 -1.0193 -1.0193 -1.0152 -1.0152 3.7789 3.7789 3.8691 3.8691 4.2253 4.2253 4.2450 4.2450 4.6004 4.6004 4.6303 4.6303 5.5386 5.5386 5.5419 5.5419 5.7379 5.7379 5.7824 5.7824 6.2081 6.2081 6.2314 6.2314 7.9638 7.9638 8.0317 8.0317 9.0396 9.0396 9.2888 9.2888 10.8096 10.8096 11.0117 11.0117 12.0599 12.0599 12.1283 12.1283 14.0779 14.0792 k = 0.5000 0.2887 0.2210 ( 4676 PWs) bands (ev): -31.0448 -31.0448 -31.0435 -31.0435 -12.3342 -12.3342 -12.3281 -12.3281 -11.9746 -11.9746 -11.9638 -11.9638 -11.9396 -11.9396 -11.9388 -11.9388 -1.0201 -1.0201 -1.0147 -1.0147 3.7652 3.7652 3.8846 3.8846 4.2221 4.2221 4.2482 4.2482 4.5977 4.5977 4.6378 4.6378 5.5382 5.5382 5.5425 5.5425 5.7306 5.7306 5.7898 5.7898 6.2031 6.2031 6.2340 6.2340 7.9527 7.9527 8.0425 8.0425 8.9861 8.9861 9.3076 9.3076 10.7858 10.7858 11.0341 11.0341 12.0865 12.0865 12.1818 12.1818 14.0510 14.0533 k = 0.5000 0.2887 0.2072 ( 4674 PWs) bands (ev): -31.0450 -31.0450 -31.0433 -31.0433 -12.3349 -12.3349 -12.3275 -12.3275 -11.9759 -11.9759 -11.9628 -11.9628 -11.9393 -11.9393 -11.9384 -11.9384 -1.0209 -1.0209 -1.0142 -1.0142 3.7520 3.7520 3.9001 3.9001 4.2191 4.2191 4.2514 4.2514 4.5955 4.5955 4.6459 4.6459 5.5378 5.5378 5.5432 5.5432 5.7236 5.7236 5.7972 5.7972 6.1981 6.1981 6.2361 6.2361 7.9420 7.9420 8.0528 8.0528 8.9321 8.9321 9.3177 9.3177 10.7698 10.7698 11.0499 11.0499 12.1205 12.1205 12.2480 12.2480 14.0237 14.0241 k = 0.5000 0.2887 0.1934 ( 4680 PWs) bands (ev): -31.0452 -31.0452 -31.0432 -31.0432 -12.3357 -12.3357 -12.3268 -12.3268 -11.9773 -11.9773 -11.9619 -11.9619 -11.9391 -11.9391 -11.9381 -11.9381 -1.0218 -1.0218 -1.0138 -1.0138 3.7394 3.7394 3.9153 3.9153 4.2160 4.2160 4.2545 4.2545 4.5939 4.5939 4.6546 4.6546 5.5374 5.5374 5.5438 5.5438 5.7167 5.7167 5.8044 5.8044 6.1929 6.1929 6.2377 6.2377 7.9316 7.9316 8.0627 8.0627 8.8784 8.8784 9.3191 9.3191 10.7621 10.7621 11.0596 11.0596 12.1596 12.1596 12.3264 12.3264 13.9974 13.9977 k = 0.5000 0.2887 0.1796 ( 4686 PWs) bands (ev): -31.0453 -31.0453 -31.0430 -31.0430 -12.3365 -12.3365 -12.3263 -12.3263 -11.9786 -11.9786 -11.9612 -11.9612 -11.9387 -11.9387 -11.9377 -11.9377 -1.0226 -1.0226 -1.0134 -1.0134 3.7276 3.7276 3.9302 3.9302 4.2131 4.2131 4.2574 4.2574 4.5927 4.5927 4.6639 4.6639 5.5369 5.5369 5.5445 5.5445 5.7100 5.7100 5.8114 5.8114 6.1876 6.1876 6.2388 6.2388 7.9216 7.9216 8.0719 8.0719 8.8259 8.8259 9.3125 9.3125 10.7625 10.7625 11.0643 11.0643 12.2022 12.2022 12.4159 12.4159 13.9723 13.9726 k = 0.5000 0.2887 0.1657 ( 4678 PWs) bands (ev): -31.0454 -31.0454 -31.0429 -31.0429 -12.3372 -12.3372 -12.3257 -12.3257 -11.9799 -11.9799 -11.9605 -11.9605 -11.9384 -11.9384 -11.9372 -11.9372 -1.0234 -1.0234 -1.0131 -1.0131 3.7164 3.7164 3.9446 3.9446 4.2102 4.2102 4.2602 4.2602 4.5919 4.5919 4.6737 4.6737 5.5364 5.5364 5.5452 5.5452 5.7036 5.7036 5.8183 5.8183 6.1824 6.1824 6.2396 6.2396 7.9122 7.9122 8.0804 8.0804 8.7752 8.7752 9.2989 9.2989 10.7700 10.7700 11.0654 11.0654 12.2469 12.2469 12.5150 12.5150 13.9491 13.9493 k = 0.5000 0.2887 0.1519 ( 4672 PWs) bands (ev): -31.0456 -31.0456 -31.0428 -31.0428 -12.3379 -12.3379 -12.3252 -12.3252 -11.9811 -11.9811 -11.9599 -11.9599 -11.9380 -11.9380 -11.9367 -11.9367 -1.0242 -1.0242 -1.0128 -1.0128 3.7060 3.7060 3.9586 3.9586 4.2074 4.2074 4.2628 4.2628 4.5914 4.5914 4.6838 4.6838 5.5357 5.5357 5.5459 5.5459 5.6975 5.6975 5.8249 5.8249 6.1773 6.1773 6.2399 6.2399 7.9033 7.9033 8.0881 8.0881 8.7269 8.7269 9.2798 9.2798 10.7830 10.7830 11.0642 11.0642 12.2927 12.2927 12.6218 12.6218 13.9278 13.9281 k = 0.5000 0.2887 0.1381 ( 4662 PWs) bands (ev): -31.0457 -31.0457 -31.0426 -31.0426 -12.3385 -12.3385 -12.3247 -12.3247 -11.9821 -11.9821 -11.9595 -11.9595 -11.9376 -11.9376 -11.9361 -11.9361 -1.0250 -1.0250 -1.0126 -1.0126 3.6964 3.6964 3.9718 3.9718 4.2047 4.2047 4.2653 4.2653 4.5913 4.5913 4.6941 4.6941 5.5350 5.5350 5.5466 5.5466 5.6918 5.6918 5.8313 5.8313 6.1723 6.1723 6.2398 6.2398 7.8949 7.8949 8.0948 8.0948 8.6817 8.6817 9.2568 9.2568 10.7998 10.7998 11.0621 11.0621 12.3385 12.3385 12.7345 12.7345 13.9090 13.9090 k = 0.5000 0.2887 0.1243 ( 4658 PWs) bands (ev): -31.0458 -31.0458 -31.0425 -31.0425 -12.3391 -12.3391 -12.3243 -12.3243 -11.9831 -11.9831 -11.9592 -11.9592 -11.9373 -11.9373 -11.9355 -11.9355 -1.0257 -1.0257 -1.0124 -1.0124 3.6876 3.6876 3.9844 3.9844 4.2020 4.2020 4.2675 4.2675 4.5913 4.5913 4.7043 4.7043 5.5340 5.5340 5.5474 5.5474 5.6864 5.6864 5.8373 5.8373 6.1676 6.1676 6.2393 6.2393 7.8873 7.8873 8.1005 8.1005 8.6400 8.6400 9.2313 9.2313 10.8184 10.8184 11.0601 11.0601 12.3834 12.3834 12.8511 12.8511 13.8930 13.8930 k = 0.5000 0.2887 0.1105 ( 4656 PWs) bands (ev): -31.0459 -31.0459 -31.0424 -31.0424 -12.3397 -12.3397 -12.3239 -12.3239 -11.9841 -11.9841 -11.9589 -11.9589 -11.9370 -11.9370 -11.9348 -11.9348 -1.0264 -1.0264 -1.0122 -1.0122 3.6796 3.6796 3.9960 3.9960 4.1995 4.1995 4.2695 4.2695 4.5916 4.5916 4.7144 4.7144 5.5329 5.5329 5.5481 5.5481 5.6816 5.6816 5.8430 5.8430 6.1633 6.1633 6.2386 6.2386 7.8803 7.8803 8.1053 8.1053 8.6021 8.6021 9.2050 9.2050 10.8369 10.8369 11.0595 11.0595 12.4267 12.4267 12.9695 12.9695 13.8804 13.8804 k = 0.5000 0.2887 0.0967 ( 4652 PWs) bands (ev): -31.0460 -31.0460 -31.0423 -31.0423 -12.3403 -12.3403 -12.3235 -12.3235 -11.9849 -11.9849 -11.9587 -11.9587 -11.9368 -11.9368 -11.9342 -11.9342 -1.0270 -1.0270 -1.0121 -1.0121 3.6726 3.6726 4.0067 4.0067 4.1970 4.1970 4.2713 4.2713 4.5919 4.5919 4.7241 4.7241 5.5317 5.5317 5.5489 5.5489 5.6772 5.6772 5.8482 5.8482 6.1593 6.1593 6.2377 6.2377 7.8740 7.8740 8.1089 8.1089 8.5685 8.5685 9.1790 9.1790 10.8536 10.8536 11.0609 11.0609 12.4674 12.4674 13.0876 13.0876 13.8720 13.8720 k = 0.5000 0.2887 0.0829 ( 4650 PWs) bands (ev): -31.0461 -31.0461 -31.0422 -31.0422 -12.3407 -12.3407 -12.3232 -12.3232 -11.9856 -11.9856 -11.9586 -11.9586 -11.9366 -11.9366 -11.9336 -11.9336 -1.0276 -1.0276 -1.0120 -1.0120 3.6664 3.6664 4.0164 4.0164 4.1947 4.1947 4.2728 4.2728 4.5923 4.5923 4.7331 4.7331 5.5304 5.5304 5.5496 5.5496 5.6734 5.6734 5.8528 5.8528 6.1557 6.1557 6.2366 6.2366 7.8686 7.8686 8.1115 8.1115 8.5394 8.5394 9.1544 9.1544 10.8673 10.8673 11.0647 11.0647 12.5049 12.5049 13.2023 13.2023 13.8694 13.8694 k = 0.5000 0.2887 0.0691 ( 4640 PWs) bands (ev): -31.0461 -31.0461 -31.0421 -31.0421 -12.3411 -12.3411 -12.3230 -12.3230 -11.9862 -11.9862 -11.9585 -11.9585 -11.9363 -11.9363 -11.9331 -11.9331 -1.0281 -1.0281 -1.0119 -1.0119 3.6611 3.6611 4.0248 4.0248 4.1926 4.1926 4.2741 4.2741 4.5928 4.5928 4.7412 4.7412 5.5291 5.5291 5.5502 5.5502 5.6702 5.6702 5.8569 5.8569 6.1526 6.1526 6.2355 6.2355 7.8639 7.8639 8.1133 8.1133 8.5149 8.5149 9.1323 9.1323 10.8777 10.8777 11.0707 11.0707 12.5382 12.5382 13.3099 13.3099 13.8747 13.8747 k = 0.5000 0.2887 0.0552 ( 4644 PWs) bands (ev): -31.0462 -31.0462 -31.0421 -31.0421 -12.3414 -12.3414 -12.3228 -12.3228 -11.9868 -11.9868 -11.9584 -11.9584 -11.9362 -11.9362 -11.9326 -11.9326 -1.0285 -1.0285 -1.0118 -1.0118 3.6568 3.6568 4.0319 4.0319 4.1908 4.1908 4.2752 4.2752 4.5932 4.5932 4.7482 4.7482 5.5279 5.5279 5.5508 5.5508 5.6675 5.6675 5.8604 5.8604 6.1501 6.1501 6.2344 6.2344 7.8600 7.8600 8.1142 8.1142 8.4950 8.4950 9.1132 9.1132 10.8847 10.8847 11.0779 11.0779 12.5667 12.5667 13.4051 13.4051 13.8913 13.8913 k = 0.5000 0.2887 0.0414 ( 4644 PWs) bands (ev): -31.0462 -31.0462 -31.0420 -31.0420 -12.3417 -12.3417 -12.3226 -12.3226 -11.9872 -11.9872 -11.9584 -11.9584 -11.9361 -11.9361 -11.9322 -11.9322 -1.0288 -1.0288 -1.0117 -1.0117 3.6535 3.6535 4.0376 4.0376 4.1892 4.1892 4.2760 4.2760 4.5936 4.5936 4.7540 4.7540 5.5268 5.5268 5.5513 5.5513 5.6655 5.6655 5.8631 5.8631 6.1481 6.1481 6.2334 6.2334 7.8570 7.8570 8.1147 8.1147 8.4797 8.4797 9.0978 9.0978 10.8891 10.8891 11.0852 11.0852 12.5897 12.5897 13.4815 13.4815 13.9232 13.9237 k = 0.5000 0.2887 0.0276 ( 4640 PWs) bands (ev): -31.0463 -31.0463 -31.0420 -31.0420 -12.3419 -12.3419 -12.3225 -12.3225 -11.9875 -11.9875 -11.9583 -11.9583 -11.9360 -11.9360 -11.9319 -11.9319 -1.0290 -1.0290 -1.0117 -1.0117 3.6511 3.6511 4.0417 4.0417 4.1881 4.1881 4.2766 4.2766 4.5939 4.5939 4.7582 4.7582 5.5259 5.5259 5.5517 5.5517 5.6640 5.6640 5.8651 5.8651 6.1466 6.1466 6.2327 6.2327 7.8548 7.8548 8.1148 8.1148 8.4688 8.4688 9.0865 9.0865 10.8916 10.8916 11.0914 11.0914 12.6066 12.6066 13.5347 13.5347 13.9236 13.9350 k = 0.5000 0.2887 0.0138 ( 4646 PWs) bands (ev): -31.0463 -31.0463 -31.0420 -31.0420 -12.3420 -12.3420 -12.3224 -12.3224 -11.9877 -11.9877 -11.9583 -11.9583 -11.9360 -11.9360 -11.9318 -11.9318 -1.0292 -1.0292 -1.0117 -1.0117 3.6496 3.6496 4.0442 4.0442 4.1873 4.1873 4.2770 4.2770 4.5940 4.5940 4.7608 4.7608 5.5254 5.5254 5.5519 5.5519 5.6631 5.6631 5.8664 5.8664 6.1458 6.1458 6.2322 6.2322 7.8535 7.8535 8.1147 8.1147 8.4624 8.4624 9.0796 9.0796 10.8929 10.8929 11.0955 11.0955 12.6169 12.6169 13.5644 13.5644 13.9189 13.9192 k = 0.5000 0.2887-0.0000 ( 4652 PWs) bands (ev): -31.0463 -31.0463 -31.0420 -31.0420 -12.3421 -12.3421 -12.3224 -12.3224 -11.9877 -11.9877 -11.9583 -11.9583 -11.9360 -11.9360 -11.9318 -11.9318 -1.0292 -1.0292 -1.0117 -1.0117 3.6491 3.6491 4.0451 4.0451 4.1871 4.1871 4.2771 4.2771 4.5941 4.5941 4.7617 4.7617 5.5252 5.5252 5.5520 5.5520 5.6628 5.6628 5.8668 5.8668 6.1455 6.1455 6.2320 6.2320 7.8530 7.8530 8.1147 8.1147 8.4603 8.4603 9.0772 9.0772 10.8933 10.8933 11.0969 11.0969 12.6203 12.6203 13.5737 13.5737 13.9178 13.9180 k = 0.3333 0.5774-0.0000 ( 4665 PWs) bands (ev): -31.0460 -31.0460 -31.0417 -31.0417 -12.3425 -12.3425 -12.3239 -12.3239 -11.9858 -11.9858 -11.9558 -11.9558 -11.9411 -11.9411 -11.9400 -11.9400 -0.9288 -0.9288 -0.9053 -0.9053 3.8313 3.8313 3.8982 3.8982 4.1061 4.1061 4.5388 4.5388 4.7533 4.7533 4.9936 4.9936 5.3498 5.3498 5.4852 5.4852 5.8062 5.8062 6.0260 6.0260 6.0417 6.0417 6.2891 6.2891 6.5795 6.5795 6.7949 6.7949 8.7902 8.7902 8.9411 8.9411 11.9770 11.9770 12.0241 12.0241 12.8920 12.8920 12.9555 12.9555 13.2797 13.2797 k = 0.3333 0.5774 0.0138 ( 4668 PWs) bands (ev): -31.0460 -31.0460 -31.0417 -31.0417 -12.3425 -12.3425 -12.3240 -12.3240 -11.9858 -11.9858 -11.9557 -11.9557 -11.9411 -11.9411 -11.9400 -11.9400 -0.9288 -0.9288 -0.9053 -0.9053 3.8313 3.8313 3.8981 3.8981 4.1061 4.1061 4.5385 4.5385 4.7532 4.7532 4.9930 4.9930 5.3498 5.3498 5.4853 5.4853 5.8069 5.8069 6.0265 6.0265 6.0415 6.0415 6.2892 6.2892 6.5794 6.5794 6.7936 6.7936 8.7931 8.7931 8.9438 8.9438 11.9695 11.9695 12.0166 12.0166 12.8976 12.8976 12.9610 12.9610 13.2812 13.2812 k = 0.3333 0.5774 0.0276 ( 4677 PWs) bands (ev): -31.0460 -31.0460 -31.0418 -31.0418 -12.3424 -12.3424 -12.3240 -12.3240 -11.9856 -11.9856 -11.9557 -11.9557 -11.9412 -11.9412 -11.9403 -11.9403 -0.9287 -0.9287 -0.9052 -0.9052 3.8312 3.8312 3.8981 3.8981 4.1061 4.1061 4.5376 4.5376 4.7528 4.7528 4.9912 4.9912 5.3498 5.3498 5.4855 5.4855 5.8091 5.8091 6.0279 6.0279 6.0411 6.0411 6.2895 6.2895 6.5792 6.5792 6.7898 6.7898 8.8016 8.8016 8.9519 8.9519 11.9475 11.9475 11.9946 11.9946 12.9137 12.9137 12.9767 12.9767 13.2854 13.2854 k = 0.3333 0.5774 0.0414 ( 4674 PWs) bands (ev): -31.0460 -31.0460 -31.0418 -31.0418 -12.3423 -12.3423 -12.3241 -12.3241 -11.9854 -11.9854 -11.9555 -11.9555 -11.9413 -11.9413 -11.9406 -11.9406 -0.9286 -0.9286 -0.9052 -0.9052 3.8310 3.8310 3.8981 3.8981 4.1060 4.1060 4.5362 4.5362 4.7523 4.7523 4.9883 4.9883 5.3498 5.3498 5.4859 5.4859 5.8126 5.8126 6.0303 6.0303 6.0404 6.0404 6.2899 6.2899 6.5789 6.5789 6.7834 6.7834 8.8158 8.8158 8.9653 8.9653 11.9126 11.9126 11.9598 11.9598 12.9389 12.9389 13.0015 13.0015 13.2926 13.2926 k = 0.3333 0.5774 0.0552 ( 4668 PWs) bands (ev): -31.0459 -31.0459 -31.0419 -31.0419 -12.3420 -12.3420 -12.3242 -12.3242 -11.9849 -11.9849 -11.9553 -11.9553 -11.9415 -11.9415 -11.9411 -11.9411 -0.9285 -0.9285 -0.9050 -0.9050 3.8308 3.8308 3.8980 3.8980 4.1060 4.1060 4.5342 4.5342 4.7515 4.7515 4.9844 4.9844 5.3498 5.3498 5.4864 5.4864 5.8174 5.8174 6.0336 6.0336 6.0395 6.0395 6.2906 6.2906 6.5784 6.5784 6.7746 6.7746 8.8354 8.8354 8.9839 8.9839 11.8668 11.8668 11.9139 11.9139 12.9715 12.9715 13.0334 13.0334 13.3025 13.3025 k = 0.3333 0.5774 0.0691 ( 4665 PWs) bands (ev): -31.0459 -31.0459 -31.0419 -31.0419 -12.3417 -12.3417 -12.3244 -12.3244 -11.9844 -11.9844 -11.9552 -11.9552 -11.9418 -11.9418 -11.9417 -11.9417 -0.9283 -0.9283 -0.9049 -0.9049 3.8306 3.8306 3.8979 3.8979 4.1060 4.1060 4.5317 4.5317 4.7505 4.7505 4.9797 4.9797 5.3495 5.3495 5.4870 5.4870 5.8234 5.8234 6.0379 6.0379 6.0384 6.0384 6.2915 6.2915 6.5778 6.5778 6.7635 6.7635 8.8602 8.8602 9.0075 9.0075 11.8121 11.8121 11.8591 11.8591 13.0095 13.0095 13.0708 13.0708 13.3153 13.3153 k = 0.3333 0.5774 0.0829 ( 4665 PWs) bands (ev): -31.0458 -31.0458 -31.0420 -31.0420 -12.3413 -12.3413 -12.3247 -12.3247 -11.9837 -11.9837 -11.9549 -11.9549 -11.9427 -11.9427 -11.9419 -11.9419 -0.9282 -0.9282 -0.9047 -0.9047 3.8303 3.8303 3.8978 3.8978 4.1059 4.1059 4.5289 4.5289 4.7493 4.7493 4.9744 4.9744 5.3492 5.3492 5.4878 5.4878 5.8305 5.8305 6.0370 6.0370 6.0431 6.0431 6.2926 6.2926 6.5771 6.5771 6.7500 6.7500 8.8898 8.8898 9.0358 9.0358 11.7507 11.7507 11.7974 11.7974 13.0514 13.0514 13.1121 13.1121 13.3308 13.3308 k = 0.3333 0.5774 0.0967 ( 4683 PWs) bands (ev): -31.0457 -31.0457 -31.0421 -31.0421 -12.3409 -12.3409 -12.3250 -12.3250 -11.9830 -11.9830 -11.9547 -11.9547 -11.9437 -11.9437 -11.9422 -11.9422 -0.9280 -0.9280 -0.9045 -0.9045 3.8300 3.8300 3.8977 3.8977 4.1059 4.1059 4.5257 4.5257 4.7480 4.7480 4.9686 4.9686 5.3486 5.3486 5.4887 5.4887 5.8385 5.8385 6.0356 6.0356 6.0492 6.0492 6.2939 6.2939 6.5764 6.5764 6.7345 6.7345 8.9239 8.9239 9.0684 9.0684 11.6841 11.6841 11.7302 11.7302 13.0959 13.0959 13.1561 13.1561 13.3488 13.3488 k = 0.3333 0.5774 0.1105 ( 4677 PWs) bands (ev): -31.0456 -31.0456 -31.0422 -31.0422 -12.3404 -12.3404 -12.3253 -12.3253 -11.9820 -11.9820 -11.9544 -11.9544 -11.9448 -11.9448 -11.9425 -11.9425 -0.9277 -0.9277 -0.9043 -0.9043 3.8296 3.8296 3.8975 3.8975 4.1058 4.1058 4.5222 4.5222 4.7464 4.7464 4.9626 4.9626 5.3477 5.3477 5.4897 5.4897 5.8472 5.8472 6.0340 6.0340 6.0563 6.0563 6.2956 6.2956 6.5756 6.5756 6.7171 6.7171 8.9619 8.9619 9.1050 9.1050 11.6138 11.6138 11.6593 11.6593 13.1421 13.1421 13.2019 13.2019 13.3695 13.3695 k = 0.3333 0.5774 0.1243 ( 4671 PWs) bands (ev): -31.0455 -31.0455 -31.0423 -31.0423 -12.3398 -12.3398 -12.3256 -12.3256 -11.9810 -11.9810 -11.9540 -11.9540 -11.9460 -11.9460 -11.9428 -11.9428 -0.9275 -0.9275 -0.9040 -0.9040 3.8292 3.8292 3.8974 3.8974 4.1057 4.1057 4.5186 4.5186 4.7448 4.7448 4.9564 4.9564 5.3467 5.3467 5.4907 5.4907 5.8563 5.8563 6.0324 6.0324 6.0644 6.0644 6.2976 6.2976 6.5748 6.5748 6.6979 6.6979 9.0033 9.0033 9.1450 9.1450 11.5412 11.5412 11.5858 11.5858 13.1892 13.1892 13.2488 13.2488 13.3928 13.3928 k = 0.3333 0.5774 0.1381 ( 4680 PWs) bands (ev): -31.0454 -31.0454 -31.0424 -31.0424 -12.3393 -12.3393 -12.3260 -12.3260 -11.9799 -11.9799 -11.9536 -11.9536 -11.9474 -11.9474 -11.9432 -11.9432 -0.9273 -0.9273 -0.9038 -0.9038 3.8289 3.8289 3.8972 3.8972 4.1056 4.1056 4.5149 4.5149 4.7430 4.7430 4.9504 4.9504 5.3455 5.3455 5.4918 5.4918 5.8655 5.8655 6.0308 6.0308 6.0734 6.0734 6.3001 6.3001 6.5739 6.5739 6.6772 6.6772 9.0474 9.0474 9.1878 9.1878 11.4674 11.4674 11.5111 11.5111 13.2367 13.2367 13.2963 13.2963 13.4185 13.4185 k = 0.3333 0.5774 0.1519 ( 4677 PWs) bands (ev): -31.0453 -31.0453 -31.0425 -31.0425 -12.3386 -12.3386 -12.3265 -12.3265 -11.9787 -11.9787 -11.9532 -11.9532 -11.9488 -11.9488 -11.9437 -11.9437 -0.9270 -0.9270 -0.9035 -0.9035 3.8285 3.8285 3.8971 3.8971 4.1055 4.1055 4.5112 4.5112 4.7412 4.7412 4.9446 4.9446 5.3442 5.3442 5.4928 5.4928 5.8746 5.8746 6.0291 6.0291 6.0833 6.0833 6.3031 6.3031 6.5731 6.5731 6.6552 6.6552 9.0935 9.0935 9.2328 9.2328 11.3938 11.3938 11.4362 11.4362 13.2843 13.2843 13.3440 13.3440 13.4465 13.4465 k = 0.3333 0.5774 0.1657 ( 4689 PWs) bands (ev): -31.0451 -31.0451 -31.0426 -31.0426 -12.3380 -12.3380 -12.3270 -12.3270 -11.9774 -11.9774 -11.9528 -11.9528 -11.9503 -11.9503 -11.9441 -11.9441 -0.9268 -0.9268 -0.9033 -0.9033 3.8281 3.8281 3.8969 3.8969 4.1054 4.1054 4.5077 4.5077 4.7393 4.7393 4.9391 4.9391 5.3428 5.3428 5.4938 5.4938 5.8833 5.8833 6.0276 6.0276 6.0939 6.0939 6.3068 6.3068 6.5723 6.5723 6.6323 6.6323 9.1405 9.1405 9.2789 9.2789 11.3214 11.3214 11.3626 11.3626 13.3314 13.3314 13.3917 13.3917 13.4768 13.4768 k = 0.3333 0.5774 0.1796 ( 4683 PWs) bands (ev): -31.0450 -31.0450 -31.0428 -31.0428 -12.3373 -12.3373 -12.3275 -12.3275 -11.9760 -11.9760 -11.9523 -11.9523 -11.9519 -11.9519 -11.9446 -11.9446 -0.9266 -0.9266 -0.9031 -0.9031 3.8277 3.8277 3.8968 3.8968 4.1054 4.1054 4.5043 4.5043 4.7375 4.7375 4.9341 4.9341 5.3415 5.3415 5.4947 5.4947 5.8914 5.8914 6.0261 6.0261 6.1049 6.1049 6.3112 6.3112 6.5716 6.5716 6.6087 6.6087 9.1874 9.1874 9.3252 9.3252 11.2517 11.2517 11.2914 11.2914 13.3778 13.3778 13.4391 13.4391 13.5091 13.5091 k = 0.3333 0.5774 0.1934 ( 4689 PWs) bands (ev): -31.0449 -31.0449 -31.0429 -31.0429 -12.3366 -12.3366 -12.3280 -12.3280 -11.9745 -11.9745 -11.9536 -11.9536 -11.9519 -11.9519 -11.9451 -11.9451 -0.9264 -0.9264 -0.9029 -0.9029 3.8273 3.8273 3.8966 3.8966 4.1053 4.1053 4.5012 4.5012 4.7358 4.7358 4.9296 4.9296 5.3401 5.3401 5.4955 5.4955 5.8986 5.8986 6.0248 6.0248 6.1160 6.1160 6.3166 6.3166 6.5710 6.5710 6.5850 6.5850 9.2330 9.2330 9.3705 9.3705 11.1861 11.1861 11.2242 11.2242 13.4230 13.4230 13.4857 13.4857 13.5433 13.5433 k = 0.3333 0.5774 0.2072 ( 4695 PWs) bands (ev): -31.0447 -31.0447 -31.0431 -31.0431 -12.3359 -12.3359 -12.3287 -12.3287 -11.9730 -11.9730 -11.9554 -11.9554 -11.9514 -11.9514 -11.9456 -11.9456 -0.9262 -0.9262 -0.9027 -0.9027 3.8270 3.8270 3.8965 3.8965 4.1052 4.1052 4.4985 4.4985 4.7342 4.7342 4.9258 4.9258 5.3389 5.3389 5.4962 5.4962 5.9048 5.9048 6.0236 6.0236 6.1268 6.1268 6.3231 6.3231 6.5615 6.5615 6.5704 6.5704 9.2758 9.2758 9.4133 9.4133 11.1261 11.1261 11.1625 11.1625 13.4664 13.4664 13.5312 13.5312 13.5792 13.5792 k = 0.3333 0.5774 0.2210 ( 4689 PWs) bands (ev): -31.0446 -31.0446 -31.0432 -31.0432 -12.3351 -12.3351 -12.3292 -12.3292 -11.9713 -11.9713 -11.9571 -11.9571 -11.9509 -11.9509 -11.9461 -11.9461 -0.9261 -0.9261 -0.9025 -0.9025 3.8268 3.8268 3.8964 3.8964 4.1051 4.1051 4.4961 4.4961 4.7328 4.7328 4.9226 4.9226 5.3378 5.3378 5.4968 5.4968 5.9100 5.9100 6.0227 6.0227 6.1366 6.1366 6.3305 6.3305 6.5390 6.5390 6.5699 6.5699 9.3143 9.3143 9.4520 9.4520 11.0734 11.0734 11.1082 11.1082 13.5070 13.5070 13.5747 13.5747 13.6166 13.6166 k = 0.3333 0.5774 0.2348 ( 4680 PWs) bands (ev): -31.0444 -31.0444 -31.0434 -31.0434 -12.3344 -12.3344 -12.3298 -12.3298 -11.9696 -11.9696 -11.9589 -11.9589 -11.9503 -11.9503 -11.9466 -11.9466 -0.9259 -0.9259 -0.9024 -0.9024 3.8266 3.8266 3.8963 3.8963 4.1051 4.1051 4.4942 4.4942 4.7317 4.7317 4.9201 4.9201 5.3369 5.3369 5.4973 5.4973 5.9141 5.9141 6.0219 6.0219 6.1449 6.1449 6.3387 6.3387 6.5184 6.5184 6.5696 6.5696 9.3467 9.3467 9.4848 9.4848 11.0299 11.0299 11.0632 11.0632 13.5433 13.5433 13.6149 13.6149 13.6548 13.6549 k = 0.3333 0.5774 0.2486 ( 4674 PWs) bands (ev): -31.0442 -31.0442 -31.0436 -31.0436 -12.3337 -12.3337 -12.3305 -12.3305 -11.9679 -11.9679 -11.9607 -11.9607 -11.9498 -11.9498 -11.9470 -11.9470 -0.9258 -0.9258 -0.9023 -0.9023 3.8264 3.8264 3.8962 3.8962 4.1050 4.1050 4.4929 4.4929 4.7309 4.7309 4.9183 4.9183 5.3363 5.3363 5.4977 5.4977 5.9170 5.9170 6.0213 6.0213 6.1513 6.1513 6.3467 6.3467 6.5012 6.5012 6.5693 6.5693 9.3713 9.3713 9.5099 9.5099 10.9973 10.9973 11.0293 11.0293 13.5729 13.5729 13.6493 13.6493 13.6935 13.6935 k = 0.3333 0.5774 0.2624 ( 4680 PWs) bands (ev): -31.0441 -31.0441 -31.0437 -31.0437 -12.3331 -12.3331 -12.3311 -12.3311 -11.9661 -11.9661 -11.9626 -11.9626 -11.9494 -11.9494 -11.9474 -11.9474 -0.9258 -0.9258 -0.9023 -0.9023 3.8263 3.8263 3.8962 3.8962 4.1050 4.1050 4.4920 4.4920 4.7304 4.7304 4.9172 4.9172 5.3359 5.3359 5.4979 5.4979 5.9187 5.9187 6.0209 6.0209 6.1552 6.1552 6.3529 6.3529 6.4892 6.4892 6.5691 6.5691 9.3868 9.3868 9.5257 9.5257 10.9770 10.9770 11.0082 11.0082 13.5927 13.5927 13.6736 13.6736 13.7310 13.7310 k = 0.3333 0.5774 0.2762 ( 4686 PWs) bands (ev): -31.0439 -31.0439 -31.0439 -31.0439 -12.3328 -12.3328 -12.3314 -12.3314 -11.9645 -11.9645 -11.9643 -11.9643 -11.9493 -11.9493 -11.9476 -11.9476 -0.9258 -0.9258 -0.9022 -0.9022 3.8263 3.8263 3.8962 3.8962 4.1050 4.1050 4.4917 4.4917 4.7302 4.7302 4.9168 4.9168 5.3357 5.3357 5.4979 5.4979 5.9193 5.9193 6.0208 6.0208 6.1566 6.1566 6.3553 6.3553 6.4849 6.4849 6.5691 6.5691 9.3921 9.3921 9.5311 9.5311 10.9702 10.9702 11.0011 11.0011 13.5998 13.5998 13.6826 13.6826 13.7557 13.7558 Writing output data file CaAsAu.save init_run : 0.38s CPU 0.57s WALL ( 1 calls) electrons : 417.61s CPU 423.36s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 417.60s CPU 423.34s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.09s CPU 0.17s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.08s WALL ( 297 calls) cegterg : 397.92s CPU 403.12s WALL ( 1192 calls) Called by sum_band: Called by *egterg: h_psi : 161.17s CPU 163.99s WALL ( 22731 calls) s_psi : 13.90s CPU 13.60s WALL ( 22731 calls) g_psi : 0.65s CPU 0.58s WALL ( 21242 calls) cdiaghg : 186.60s CPU 188.34s WALL ( 21539 calls) cegterg:over : 16.40s CPU 16.73s WALL ( 21242 calls) cegterg:upda : 16.79s CPU 17.60s WALL ( 21242 calls) cegterg:last : 6.69s CPU 6.76s WALL ( 2379 calls) cdiaghg:chol : 10.73s CPU 10.74s WALL ( 21539 calls) cdiaghg:inve : 7.15s CPU 7.48s WALL ( 21539 calls) cdiaghg:para : 11.66s CPU 11.93s WALL ( 43078 calls) Called by h_psi: h_psi:vloc : 131.15s CPU 133.38s WALL ( 22731 calls) h_psi:vnl : 29.54s CPU 30.02s WALL ( 22731 calls) add_vuspsi : 14.93s CPU 15.91s WALL ( 22731 calls) General routines calbec : 14.56s CPU 14.05s WALL ( 22731 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 117.16s CPU 119.47s WALL ( 1675044 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.17s CPU 0.26s WALL ( 594 calls) Parallel routines fft_scatter : 47.75s CPU 48.54s WALL ( 1675067 calls) PWSCF : 7m15.75s CPU 7m34.58s WALL This run was terminated on: 20:40:41 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=