Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 20:34:31 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: ./CaCuAs.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 32 22 6 1706 938 148 Max 33 23 7 1717 950 153 Sum 1177 793 241 61567 33929 5423 bravais-lattice index = 14 lattice parameter (alat) = 7.9123 a.u. unit-cell volume = 805.1937 (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 = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.912283 celldm(2)= 1.000000 celldm(3)= 1.877000 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 1.877000 ) 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 0.532765 ) 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 Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad 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 1199 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) Cu 11.00 63.54600 Cu( 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 ) ( 0.9385001 ) 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 ) ( 0.9385001 ) 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 ) ( 0.9385001 ) 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 ) ( 0.9385001 ) 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 ) ( 0.9385001 ) 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 ) ( 0.9385001 ) 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 ) ( 0.9385001 ) 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 ) ( 0.9385001 ) 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 ) ( 0.9385001 ) 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 ) ( 0.9385001 ) 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 ) ( 0.9385001 ) 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 ) ( 0.9385001 ) 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= 311 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 2) = ( 0.0113636 0.0065608 -0.0000000), wk = 0.0032154 k( 3) = ( 0.0227273 0.0131216 -0.0000000), wk = 0.0032154 k( 4) = ( 0.0340909 0.0196824 -0.0000000), wk = 0.0032154 k( 5) = ( 0.0454546 0.0262432 -0.0000000), wk = 0.0032154 k( 6) = ( 0.0568182 0.0328040 -0.0000000), wk = 0.0032154 k( 7) = ( 0.0681818 0.0393648 -0.0000000), wk = 0.0032154 k( 8) = ( 0.0795455 0.0459256 -0.0000000), wk = 0.0032154 k( 9) = ( 0.0909091 0.0524864 -0.0000000), wk = 0.0032154 k( 10) = ( 0.1022727 0.0590472 -0.0000000), wk = 0.0032154 k( 11) = ( 0.1136364 0.0656080 -0.0000000), wk = 0.0032154 k( 12) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0032154 k( 13) = ( 0.1363636 0.0787296 -0.0000000), wk = 0.0032154 k( 14) = ( 0.1477273 0.0852904 -0.0000000), wk = 0.0032154 k( 15) = ( 0.1590909 0.0918512 -0.0000000), wk = 0.0032154 k( 16) = ( 0.1704546 0.0984120 -0.0000000), wk = 0.0032154 k( 17) = ( 0.1818182 0.1049728 -0.0000000), wk = 0.0032154 k( 18) = ( 0.1931818 0.1115336 -0.0000000), wk = 0.0032154 k( 19) = ( 0.2045454 0.1180944 -0.0000000), wk = 0.0032154 k( 20) = ( 0.2159091 0.1246552 -0.0000000), wk = 0.0032154 k( 21) = ( 0.2272727 0.1312160 -0.0000000), wk = 0.0032154 k( 22) = ( 0.2386364 0.1377768 -0.0000000), wk = 0.0032154 k( 23) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0032154 k( 24) = ( 0.2613636 0.1508984 -0.0000000), wk = 0.0032154 k( 25) = ( 0.2727273 0.1574592 -0.0000000), wk = 0.0032154 k( 26) = ( 0.2840909 0.1640200 -0.0000000), wk = 0.0032154 k( 27) = ( 0.2954545 0.1705808 -0.0000000), wk = 0.0032154 k( 28) = ( 0.3068182 0.1771416 -0.0000000), wk = 0.0032154 k( 29) = ( 0.3181818 0.1837024 -0.0000000), wk = 0.0032154 k( 30) = ( 0.3295455 0.1902632 -0.0000000), wk = 0.0032154 k( 31) = ( 0.3409091 0.1968240 -0.0000000), wk = 0.0032154 k( 32) = ( 0.3522727 0.2033848 -0.0000000), wk = 0.0032154 k( 33) = ( 0.3636364 0.2099456 -0.0000000), wk = 0.0032154 k( 34) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0032154 k( 35) = ( 0.3863636 0.2230672 -0.0000000), wk = 0.0032154 k( 36) = ( 0.3977273 0.2296279 -0.0000000), wk = 0.0032154 k( 37) = ( 0.4090909 0.2361887 -0.0000000), wk = 0.0032154 k( 38) = ( 0.4204545 0.2427495 -0.0000000), wk = 0.0032154 k( 39) = ( 0.4318182 0.2493103 -0.0000000), wk = 0.0032154 k( 40) = ( 0.4431818 0.2558711 -0.0000000), wk = 0.0032154 k( 41) = ( 0.4545455 0.2624319 -0.0000000), wk = 0.0032154 k( 42) = ( 0.4659091 0.2689927 -0.0000000), wk = 0.0032154 k( 43) = ( 0.4772727 0.2755535 -0.0000000), wk = 0.0032154 k( 44) = ( 0.4886364 0.2821143 -0.0000000), wk = 0.0032154 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032154 k( 46) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032154 k( 47) = ( 0.4935897 0.2997780 -0.0000000), wk = 0.0032154 k( 48) = ( 0.4871795 0.3108809 -0.0000000), wk = 0.0032154 k( 49) = ( 0.4807692 0.3219838 -0.0000000), wk = 0.0032154 k( 50) = ( 0.4743590 0.3330867 -0.0000000), wk = 0.0032154 k( 51) = ( 0.4679487 0.3441896 -0.0000000), wk = 0.0032154 k( 52) = ( 0.4615385 0.3552925 -0.0000000), wk = 0.0032154 k( 53) = ( 0.4551282 0.3663954 -0.0000000), wk = 0.0032154 k( 54) = ( 0.4487179 0.3774983 -0.0000000), wk = 0.0032154 k( 55) = ( 0.4423077 0.3886011 -0.0000000), wk = 0.0032154 k( 56) = ( 0.4358974 0.3997040 -0.0000000), wk = 0.0032154 k( 57) = ( 0.4294872 0.4108069 -0.0000000), wk = 0.0032154 k( 58) = ( 0.4230769 0.4219098 -0.0000000), wk = 0.0032154 k( 59) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0032154 k( 60) = ( 0.4102564 0.4441156 -0.0000000), wk = 0.0032154 k( 61) = ( 0.4038462 0.4552185 -0.0000000), wk = 0.0032154 k( 62) = ( 0.3974359 0.4663214 -0.0000000), wk = 0.0032154 k( 63) = ( 0.3910256 0.4774243 -0.0000000), wk = 0.0032154 k( 64) = ( 0.3846154 0.4885271 -0.0000000), wk = 0.0032154 k( 65) = ( 0.3782051 0.4996300 -0.0000000), wk = 0.0032154 k( 66) = ( 0.3717949 0.5107329 -0.0000000), wk = 0.0032154 k( 67) = ( 0.3653846 0.5218358 -0.0000000), wk = 0.0032154 k( 68) = ( 0.3589744 0.5329387 -0.0000000), wk = 0.0032154 k( 69) = ( 0.3525641 0.5440416 -0.0000000), wk = 0.0032154 k( 70) = ( 0.3461538 0.5551445 -0.0000000), wk = 0.0032154 k( 71) = ( 0.3397436 0.5662474 -0.0000000), wk = 0.0032154 k( 72) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032154 k( 73) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032154 k( 74) = ( 0.3267974 0.5660297 -0.0000000), wk = 0.0032154 k( 75) = ( 0.3202614 0.5547091 -0.0000000), wk = 0.0032154 k( 76) = ( 0.3137255 0.5433885 -0.0000000), wk = 0.0032154 k( 77) = ( 0.3071895 0.5320679 -0.0000000), wk = 0.0032154 k( 78) = ( 0.3006536 0.5207473 -0.0000000), wk = 0.0032154 k( 79) = ( 0.2941177 0.5094267 -0.0000000), wk = 0.0032154 k( 80) = ( 0.2875817 0.4981061 -0.0000000), wk = 0.0032154 k( 81) = ( 0.2810457 0.4867855 -0.0000000), wk = 0.0032154 k( 82) = ( 0.2745098 0.4754649 -0.0000000), wk = 0.0032154 k( 83) = ( 0.2679739 0.4641443 -0.0000000), wk = 0.0032154 k( 84) = ( 0.2614379 0.4528237 -0.0000000), wk = 0.0032154 k( 85) = ( 0.2549020 0.4415031 -0.0000000), wk = 0.0032154 k( 86) = ( 0.2483660 0.4301825 -0.0000000), wk = 0.0032154 k( 87) = ( 0.2418301 0.4188620 -0.0000000), wk = 0.0032154 k( 88) = ( 0.2352941 0.4075414 -0.0000000), wk = 0.0032154 k( 89) = ( 0.2287582 0.3962208 -0.0000000), wk = 0.0032154 k( 90) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0032154 k( 91) = ( 0.2156863 0.3735796 -0.0000000), wk = 0.0032154 k( 92) = ( 0.2091503 0.3622590 -0.0000000), wk = 0.0032154 k( 93) = ( 0.2026144 0.3509384 -0.0000000), wk = 0.0032154 k( 94) = ( 0.1960784 0.3396178 -0.0000000), wk = 0.0032154 k( 95) = ( 0.1895425 0.3282972 -0.0000000), wk = 0.0032154 k( 96) = ( 0.1830065 0.3169766 -0.0000000), wk = 0.0032154 k( 97) = ( 0.1764706 0.3056560 -0.0000000), wk = 0.0032154 k( 98) = ( 0.1699346 0.2943354 -0.0000000), wk = 0.0032154 k( 99) = ( 0.1633987 0.2830148 -0.0000000), wk = 0.0032154 k( 100) = ( 0.1568627 0.2716943 -0.0000000), wk = 0.0032154 k( 101) = ( 0.1503268 0.2603737 -0.0000000), wk = 0.0032154 k( 102) = ( 0.1437908 0.2490531 -0.0000000), wk = 0.0032154 k( 103) = ( 0.1372549 0.2377325 -0.0000000), wk = 0.0032154 k( 104) = ( 0.1307190 0.2264119 -0.0000000), wk = 0.0032154 k( 105) = ( 0.1241830 0.2150913 -0.0000000), wk = 0.0032154 k( 106) = ( 0.1176471 0.2037707 -0.0000000), wk = 0.0032154 k( 107) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0032154 k( 108) = ( 0.1045752 0.1811295 -0.0000000), wk = 0.0032154 k( 109) = ( 0.0980392 0.1698089 -0.0000000), wk = 0.0032154 k( 110) = ( 0.0915033 0.1584883 -0.0000000), wk = 0.0032154 k( 111) = ( 0.0849673 0.1471677 -0.0000000), wk = 0.0032154 k( 112) = ( 0.0784314 0.1358471 -0.0000000), wk = 0.0032154 k( 113) = ( 0.0718954 0.1245265 -0.0000000), wk = 0.0032154 k( 114) = ( 0.0653595 0.1132059 -0.0000000), wk = 0.0032154 k( 115) = ( 0.0588235 0.1018853 -0.0000000), wk = 0.0032154 k( 116) = ( 0.0522876 0.0905647 -0.0000000), wk = 0.0032154 k( 117) = ( 0.0457516 0.0792441 -0.0000000), wk = 0.0032154 k( 118) = ( 0.0392157 0.0679236 -0.0000000), wk = 0.0032154 k( 119) = ( 0.0326797 0.0566030 -0.0000000), wk = 0.0032154 k( 120) = ( 0.0261438 0.0452824 -0.0000000), wk = 0.0032154 k( 121) = ( 0.0196078 0.0339618 -0.0000000), wk = 0.0032154 k( 122) = ( 0.0130719 0.0226412 -0.0000000), wk = 0.0032154 k( 123) = ( 0.0065359 0.0113206 -0.0000000), wk = 0.0032154 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 126) = ( 0.0000000 0.0000000 0.0133191), wk = 0.0032154 k( 127) = ( 0.0000000 0.0000000 0.0266382), wk = 0.0032154 k( 128) = ( 0.0000000 0.0000000 0.0399574), wk = 0.0032154 k( 129) = ( 0.0000000 0.0000000 0.0532765), wk = 0.0032154 k( 130) = ( 0.0000000 0.0000000 0.0665956), wk = 0.0032154 k( 131) = ( 0.0000000 0.0000000 0.0799147), wk = 0.0032154 k( 132) = ( 0.0000000 0.0000000 0.0932339), wk = 0.0032154 k( 133) = ( 0.0000000 0.0000000 0.1065530), wk = 0.0032154 k( 134) = ( 0.0000000 0.0000000 0.1198721), wk = 0.0032154 k( 135) = ( 0.0000000 0.0000000 0.1331912), wk = 0.0032154 k( 136) = ( 0.0000000 0.0000000 0.1465104), wk = 0.0032154 k( 137) = ( 0.0000000 0.0000000 0.1598295), wk = 0.0032154 k( 138) = ( 0.0000000 0.0000000 0.1731486), wk = 0.0032154 k( 139) = ( 0.0000000 0.0000000 0.1864677), wk = 0.0032154 k( 140) = ( 0.0000000 0.0000000 0.1997869), wk = 0.0032154 k( 141) = ( 0.0000000 0.0000000 0.2131060), wk = 0.0032154 k( 142) = ( 0.0000000 0.0000000 0.2264251), wk = 0.0032154 k( 143) = ( 0.0000000 0.0000000 0.2397442), wk = 0.0032154 k( 144) = ( 0.0000000 0.0000000 0.2530634), wk = 0.0032154 k( 145) = ( 0.0000000 0.0000000 0.2663825), wk = 0.0032154 k( 146) = ( 0.0000000 0.0000000 0.2663825), wk = 0.0032154 k( 147) = ( 0.0113636 0.0065608 0.2663825), wk = 0.0032154 k( 148) = ( 0.0227273 0.0131216 0.2663825), wk = 0.0032154 k( 149) = ( 0.0340909 0.0196824 0.2663825), wk = 0.0032154 k( 150) = ( 0.0454546 0.0262432 0.2663825), wk = 0.0032154 k( 151) = ( 0.0568182 0.0328040 0.2663825), wk = 0.0032154 k( 152) = ( 0.0681818 0.0393648 0.2663825), wk = 0.0032154 k( 153) = ( 0.0795455 0.0459256 0.2663825), wk = 0.0032154 k( 154) = ( 0.0909091 0.0524864 0.2663825), wk = 0.0032154 k( 155) = ( 0.1022727 0.0590472 0.2663825), wk = 0.0032154 k( 156) = ( 0.1136364 0.0656080 0.2663825), wk = 0.0032154 k( 157) = ( 0.1250000 0.0721688 0.2663825), wk = 0.0032154 k( 158) = ( 0.1363636 0.0787296 0.2663825), wk = 0.0032154 k( 159) = ( 0.1477273 0.0852904 0.2663825), wk = 0.0032154 k( 160) = ( 0.1590909 0.0918512 0.2663825), wk = 0.0032154 k( 161) = ( 0.1704546 0.0984120 0.2663825), wk = 0.0032154 k( 162) = ( 0.1818182 0.1049728 0.2663825), wk = 0.0032154 k( 163) = ( 0.1931818 0.1115336 0.2663825), wk = 0.0032154 k( 164) = ( 0.2045454 0.1180944 0.2663825), wk = 0.0032154 k( 165) = ( 0.2159091 0.1246552 0.2663825), wk = 0.0032154 k( 166) = ( 0.2272727 0.1312160 0.2663825), wk = 0.0032154 k( 167) = ( 0.2386364 0.1377768 0.2663825), wk = 0.0032154 k( 168) = ( 0.2500000 0.1443376 0.2663825), wk = 0.0032154 k( 169) = ( 0.2613636 0.1508984 0.2663825), wk = 0.0032154 k( 170) = ( 0.2727273 0.1574592 0.2663825), wk = 0.0032154 k( 171) = ( 0.2840909 0.1640200 0.2663825), wk = 0.0032154 k( 172) = ( 0.2954545 0.1705808 0.2663825), wk = 0.0032154 k( 173) = ( 0.3068182 0.1771416 0.2663825), wk = 0.0032154 k( 174) = ( 0.3181818 0.1837024 0.2663825), wk = 0.0032154 k( 175) = ( 0.3295455 0.1902632 0.2663825), wk = 0.0032154 k( 176) = ( 0.3409091 0.1968240 0.2663825), wk = 0.0032154 k( 177) = ( 0.3522727 0.2033848 0.2663825), wk = 0.0032154 k( 178) = ( 0.3636364 0.2099456 0.2663825), wk = 0.0032154 k( 179) = ( 0.3750000 0.2165064 0.2663825), wk = 0.0032154 k( 180) = ( 0.3863636 0.2230672 0.2663825), wk = 0.0032154 k( 181) = ( 0.3977273 0.2296279 0.2663825), wk = 0.0032154 k( 182) = ( 0.4090909 0.2361887 0.2663825), wk = 0.0032154 k( 183) = ( 0.4204545 0.2427495 0.2663825), wk = 0.0032154 k( 184) = ( 0.4318182 0.2493103 0.2663825), wk = 0.0032154 k( 185) = ( 0.4431818 0.2558711 0.2663825), wk = 0.0032154 k( 186) = ( 0.4545455 0.2624319 0.2663825), wk = 0.0032154 k( 187) = ( 0.4659091 0.2689927 0.2663825), wk = 0.0032154 k( 188) = ( 0.4772727 0.2755535 0.2663825), wk = 0.0032154 k( 189) = ( 0.4886364 0.2821143 0.2663825), wk = 0.0032154 k( 190) = ( 0.5000000 0.2886751 0.2663825), wk = 0.0032154 k( 191) = ( 0.5000000 0.2886751 0.2663825), wk = 0.0032154 k( 192) = ( 0.4935897 0.2997780 0.2663825), wk = 0.0032154 k( 193) = ( 0.4871795 0.3108809 0.2663825), wk = 0.0032154 k( 194) = ( 0.4807692 0.3219838 0.2663825), wk = 0.0032154 k( 195) = ( 0.4743590 0.3330867 0.2663825), wk = 0.0032154 k( 196) = ( 0.4679487 0.3441896 0.2663825), wk = 0.0032154 k( 197) = ( 0.4615385 0.3552925 0.2663825), wk = 0.0032154 k( 198) = ( 0.4551282 0.3663954 0.2663825), wk = 0.0032154 k( 199) = ( 0.4487179 0.3774983 0.2663825), wk = 0.0032154 k( 200) = ( 0.4423077 0.3886011 0.2663825), wk = 0.0032154 k( 201) = ( 0.4358974 0.3997040 0.2663825), wk = 0.0032154 k( 202) = ( 0.4294872 0.4108069 0.2663825), wk = 0.0032154 k( 203) = ( 0.4230769 0.4219098 0.2663825), wk = 0.0032154 k( 204) = ( 0.4166667 0.4330127 0.2663825), wk = 0.0032154 k( 205) = ( 0.4102564 0.4441156 0.2663825), wk = 0.0032154 k( 206) = ( 0.4038462 0.4552185 0.2663825), wk = 0.0032154 k( 207) = ( 0.3974359 0.4663214 0.2663825), wk = 0.0032154 k( 208) = ( 0.3910256 0.4774243 0.2663825), wk = 0.0032154 k( 209) = ( 0.3846154 0.4885271 0.2663825), wk = 0.0032154 k( 210) = ( 0.3782051 0.4996300 0.2663825), wk = 0.0032154 k( 211) = ( 0.3717949 0.5107329 0.2663825), wk = 0.0032154 k( 212) = ( 0.3653846 0.5218358 0.2663825), wk = 0.0032154 k( 213) = ( 0.3589744 0.5329387 0.2663825), wk = 0.0032154 k( 214) = ( 0.3525641 0.5440416 0.2663825), wk = 0.0032154 k( 215) = ( 0.3461538 0.5551445 0.2663825), wk = 0.0032154 k( 216) = ( 0.3397436 0.5662474 0.2663825), wk = 0.0032154 k( 217) = ( 0.3333333 0.5773503 0.2663825), wk = 0.0032154 k( 218) = ( 0.3333333 0.5773503 0.2663825), wk = 0.0032154 k( 219) = ( 0.3267974 0.5660297 0.2663825), wk = 0.0032154 k( 220) = ( 0.3202614 0.5547091 0.2663825), wk = 0.0032154 k( 221) = ( 0.3137255 0.5433885 0.2663825), wk = 0.0032154 k( 222) = ( 0.3071895 0.5320679 0.2663825), wk = 0.0032154 k( 223) = ( 0.3006536 0.5207473 0.2663825), wk = 0.0032154 k( 224) = ( 0.2941177 0.5094267 0.2663825), wk = 0.0032154 k( 225) = ( 0.2875817 0.4981061 0.2663825), wk = 0.0032154 k( 226) = ( 0.2810457 0.4867855 0.2663825), wk = 0.0032154 k( 227) = ( 0.2745098 0.4754649 0.2663825), wk = 0.0032154 k( 228) = ( 0.2679739 0.4641443 0.2663825), wk = 0.0032154 k( 229) = ( 0.2614379 0.4528237 0.2663825), wk = 0.0032154 k( 230) = ( 0.2549020 0.4415031 0.2663825), wk = 0.0032154 k( 231) = ( 0.2483660 0.4301825 0.2663825), wk = 0.0032154 k( 232) = ( 0.2418301 0.4188620 0.2663825), wk = 0.0032154 k( 233) = ( 0.2352941 0.4075414 0.2663825), wk = 0.0032154 k( 234) = ( 0.2287582 0.3962208 0.2663825), wk = 0.0032154 k( 235) = ( 0.2222222 0.3849002 0.2663825), wk = 0.0032154 k( 236) = ( 0.2156863 0.3735796 0.2663825), wk = 0.0032154 k( 237) = ( 0.2091503 0.3622590 0.2663825), wk = 0.0032154 k( 238) = ( 0.2026144 0.3509384 0.2663825), wk = 0.0032154 k( 239) = ( 0.1960784 0.3396178 0.2663825), wk = 0.0032154 k( 240) = ( 0.1895425 0.3282972 0.2663825), wk = 0.0032154 k( 241) = ( 0.1830065 0.3169766 0.2663825), wk = 0.0032154 k( 242) = ( 0.1764706 0.3056560 0.2663825), wk = 0.0032154 k( 243) = ( 0.1699346 0.2943354 0.2663825), wk = 0.0032154 k( 244) = ( 0.1633987 0.2830148 0.2663825), wk = 0.0032154 k( 245) = ( 0.1568627 0.2716943 0.2663825), wk = 0.0032154 k( 246) = ( 0.1503268 0.2603737 0.2663825), wk = 0.0032154 k( 247) = ( 0.1437908 0.2490531 0.2663825), wk = 0.0032154 k( 248) = ( 0.1372549 0.2377325 0.2663825), wk = 0.0032154 k( 249) = ( 0.1307190 0.2264119 0.2663825), wk = 0.0032154 k( 250) = ( 0.1241830 0.2150913 0.2663825), wk = 0.0032154 k( 251) = ( 0.1176471 0.2037707 0.2663825), wk = 0.0032154 k( 252) = ( 0.1111111 0.1924501 0.2663825), wk = 0.0032154 k( 253) = ( 0.1045752 0.1811295 0.2663825), wk = 0.0032154 k( 254) = ( 0.0980392 0.1698089 0.2663825), wk = 0.0032154 k( 255) = ( 0.0915033 0.1584883 0.2663825), wk = 0.0032154 k( 256) = ( 0.0849673 0.1471677 0.2663825), wk = 0.0032154 k( 257) = ( 0.0784314 0.1358471 0.2663825), wk = 0.0032154 k( 258) = ( 0.0718954 0.1245265 0.2663825), wk = 0.0032154 k( 259) = ( 0.0653595 0.1132059 0.2663825), wk = 0.0032154 k( 260) = ( 0.0588235 0.1018853 0.2663825), wk = 0.0032154 k( 261) = ( 0.0522876 0.0905647 0.2663825), wk = 0.0032154 k( 262) = ( 0.0457516 0.0792441 0.2663825), wk = 0.0032154 k( 263) = ( 0.0392157 0.0679236 0.2663825), wk = 0.0032154 k( 264) = ( 0.0326797 0.0566030 0.2663825), wk = 0.0032154 k( 265) = ( 0.0261438 0.0452824 0.2663825), wk = 0.0032154 k( 266) = ( 0.0196078 0.0339618 0.2663825), wk = 0.0032154 k( 267) = ( 0.0130719 0.0226412 0.2663825), wk = 0.0032154 k( 268) = ( 0.0065359 0.0113206 0.2663825), wk = 0.0032154 k( 269) = ( 0.0000000 0.0000000 0.2663825), wk = 0.0032154 k( 270) = ( 0.5000000 0.2886751 0.2663825), wk = 0.0032154 k( 271) = ( 0.5000000 0.2886751 0.2530634), wk = 0.0032154 k( 272) = ( 0.5000000 0.2886751 0.2397442), wk = 0.0032154 k( 273) = ( 0.5000000 0.2886751 0.2264251), wk = 0.0032154 k( 274) = ( 0.5000000 0.2886751 0.2131060), wk = 0.0032154 k( 275) = ( 0.5000000 0.2886751 0.1997869), wk = 0.0032154 k( 276) = ( 0.5000000 0.2886751 0.1864677), wk = 0.0032154 k( 277) = ( 0.5000000 0.2886751 0.1731486), wk = 0.0032154 k( 278) = ( 0.5000000 0.2886751 0.1598295), wk = 0.0032154 k( 279) = ( 0.5000000 0.2886751 0.1465104), wk = 0.0032154 k( 280) = ( 0.5000000 0.2886751 0.1331912), wk = 0.0032154 k( 281) = ( 0.5000000 0.2886751 0.1198721), wk = 0.0032154 k( 282) = ( 0.5000000 0.2886751 0.1065530), wk = 0.0032154 k( 283) = ( 0.5000000 0.2886751 0.0932339), wk = 0.0032154 k( 284) = ( 0.5000000 0.2886751 0.0799147), wk = 0.0032154 k( 285) = ( 0.5000000 0.2886751 0.0665956), wk = 0.0032154 k( 286) = ( 0.5000000 0.2886751 0.0532765), wk = 0.0032154 k( 287) = ( 0.5000000 0.2886751 0.0399574), wk = 0.0032154 k( 288) = ( 0.5000000 0.2886751 0.0266382), wk = 0.0032154 k( 289) = ( 0.5000000 0.2886751 0.0133191), wk = 0.0032154 k( 290) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032154 k( 291) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032154 k( 292) = ( 0.3333333 0.5773503 0.0133191), wk = 0.0032154 k( 293) = ( 0.3333333 0.5773503 0.0266382), wk = 0.0032154 k( 294) = ( 0.3333333 0.5773503 0.0399574), wk = 0.0032154 k( 295) = ( 0.3333333 0.5773503 0.0532765), wk = 0.0032154 k( 296) = ( 0.3333333 0.5773503 0.0665956), wk = 0.0032154 k( 297) = ( 0.3333333 0.5773503 0.0799147), wk = 0.0032154 k( 298) = ( 0.3333333 0.5773503 0.0932339), wk = 0.0032154 k( 299) = ( 0.3333333 0.5773503 0.1065530), wk = 0.0032154 k( 300) = ( 0.3333333 0.5773503 0.1198721), wk = 0.0032154 k( 301) = ( 0.3333333 0.5773503 0.1331912), wk = 0.0032154 k( 302) = ( 0.3333333 0.5773503 0.1465104), wk = 0.0032154 k( 303) = ( 0.3333333 0.5773503 0.1598295), wk = 0.0032154 k( 304) = ( 0.3333333 0.5773503 0.1731486), wk = 0.0032154 k( 305) = ( 0.3333333 0.5773503 0.1864677), wk = 0.0032154 k( 306) = ( 0.3333333 0.5773503 0.1997869), wk = 0.0032154 k( 307) = ( 0.3333333 0.5773503 0.2131060), wk = 0.0032154 k( 308) = ( 0.3333333 0.5773503 0.2264251), wk = 0.0032154 k( 309) = ( 0.3333333 0.5773503 0.2397442), wk = 0.0032154 k( 310) = ( 0.3333333 0.5773503 0.2530634), wk = 0.0032154 k( 311) = ( 0.3333333 0.5773503 0.2663825), wk = 0.0032154 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 2) = ( 0.0113636 -0.0000000 0.0000000), wk = 0.0032154 k( 3) = ( 0.0227273 -0.0000000 -0.0000000), wk = 0.0032154 k( 4) = ( 0.0340909 -0.0000000 0.0000000), wk = 0.0032154 k( 5) = ( 0.0454546 -0.0000000 0.0000000), wk = 0.0032154 k( 6) = ( 0.0568182 -0.0000000 0.0000000), wk = 0.0032154 k( 7) = ( 0.0681818 -0.0000000 0.0000000), wk = 0.0032154 k( 8) = ( 0.0795455 -0.0000000 -0.0000000), wk = 0.0032154 k( 9) = ( 0.0909091 -0.0000000 0.0000000), wk = 0.0032154 k( 10) = ( 0.1022727 0.0000000 0.0000000), wk = 0.0032154 k( 11) = ( 0.1136364 -0.0000000 0.0000000), wk = 0.0032154 k( 12) = ( 0.1250000 -0.0000000 0.0000000), wk = 0.0032154 k( 13) = ( 0.1363636 -0.0000000 0.0000000), wk = 0.0032154 k( 14) = ( 0.1477273 -0.0000000 0.0000000), wk = 0.0032154 k( 15) = ( 0.1590909 -0.0000000 0.0000000), wk = 0.0032154 k( 16) = ( 0.1704546 -0.0000000 -0.0000000), wk = 0.0032154 k( 17) = ( 0.1818182 -0.0000000 0.0000000), wk = 0.0032154 k( 18) = ( 0.1931818 -0.0000000 0.0000000), wk = 0.0032154 k( 19) = ( 0.2045454 0.0000000 0.0000000), wk = 0.0032154 k( 20) = ( 0.2159091 -0.0000000 0.0000000), wk = 0.0032154 k( 21) = ( 0.2272727 -0.0000000 0.0000000), wk = 0.0032154 k( 22) = ( 0.2386364 -0.0000000 -0.0000000), wk = 0.0032154 k( 23) = ( 0.2500000 -0.0000000 0.0000000), wk = 0.0032154 k( 24) = ( 0.2613636 -0.0000000 0.0000000), wk = 0.0032154 k( 25) = ( 0.2727273 -0.0000000 0.0000000), wk = 0.0032154 k( 26) = ( 0.2840909 -0.0000000 -0.0000000), wk = 0.0032154 k( 27) = ( 0.2954545 -0.0000000 -0.0000000), wk = 0.0032154 k( 28) = ( 0.3068182 0.0000000 0.0000000), wk = 0.0032154 k( 29) = ( 0.3181818 -0.0000000 0.0000000), wk = 0.0032154 k( 30) = ( 0.3295455 -0.0000000 -0.0000000), wk = 0.0032154 k( 31) = ( 0.3409091 -0.0000000 -0.0000000), wk = 0.0032154 k( 32) = ( 0.3522727 -0.0000000 -0.0000000), wk = 0.0032154 k( 33) = ( 0.3636364 -0.0000000 0.0000000), wk = 0.0032154 k( 34) = ( 0.3750000 -0.0000000 0.0000000), wk = 0.0032154 k( 35) = ( 0.3863636 -0.0000000 0.0000000), wk = 0.0032154 k( 36) = ( 0.3977273 -0.0000000 0.0000000), wk = 0.0032154 k( 37) = ( 0.4090909 -0.0000000 0.0000000), wk = 0.0032154 k( 38) = ( 0.4204545 0.0000000 -0.0000000), wk = 0.0032154 k( 39) = ( 0.4318182 -0.0000000 0.0000000), wk = 0.0032154 k( 40) = ( 0.4431818 0.0000000 0.0000000), wk = 0.0032154 k( 41) = ( 0.4545455 -0.0000000 0.0000000), wk = 0.0032154 k( 42) = ( 0.4659091 -0.0000000 0.0000000), wk = 0.0032154 k( 43) = ( 0.4772727 -0.0000000 0.0000000), wk = 0.0032154 k( 44) = ( 0.4886364 -0.0000000 0.0000000), wk = 0.0032154 k( 45) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0032154 k( 46) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0032154 k( 47) = ( 0.4935897 0.0128205 0.0000000), wk = 0.0032154 k( 48) = ( 0.4871795 0.0256410 0.0000000), wk = 0.0032154 k( 49) = ( 0.4807692 0.0384615 0.0000000), wk = 0.0032154 k( 50) = ( 0.4743590 0.0512821 0.0000000), wk = 0.0032154 k( 51) = ( 0.4679487 0.0641026 0.0000000), wk = 0.0032154 k( 52) = ( 0.4615385 0.0769231 -0.0000000), wk = 0.0032154 k( 53) = ( 0.4551282 0.0897436 -0.0000000), wk = 0.0032154 k( 54) = ( 0.4487179 0.1025641 0.0000000), wk = 0.0032154 k( 55) = ( 0.4423077 0.1153846 -0.0000000), wk = 0.0032154 k( 56) = ( 0.4358974 0.1282051 0.0000000), wk = 0.0032154 k( 57) = ( 0.4294872 0.1410256 -0.0000000), wk = 0.0032154 k( 58) = ( 0.4230769 0.1538461 0.0000000), wk = 0.0032154 k( 59) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0032154 k( 60) = ( 0.4102564 0.1794872 0.0000000), wk = 0.0032154 k( 61) = ( 0.4038462 0.1923077 0.0000000), wk = 0.0032154 k( 62) = ( 0.3974359 0.2051282 0.0000000), wk = 0.0032154 k( 63) = ( 0.3910256 0.2179487 0.0000000), wk = 0.0032154 k( 64) = ( 0.3846154 0.2307692 0.0000000), wk = 0.0032154 k( 65) = ( 0.3782051 0.2435897 0.0000000), wk = 0.0032154 k( 66) = ( 0.3717949 0.2564103 -0.0000000), wk = 0.0032154 k( 67) = ( 0.3653846 0.2692308 0.0000000), wk = 0.0032154 k( 68) = ( 0.3589744 0.2820513 0.0000000), wk = 0.0032154 k( 69) = ( 0.3525641 0.2948718 0.0000000), wk = 0.0032154 k( 70) = ( 0.3461538 0.3076923 -0.0000000), wk = 0.0032154 k( 71) = ( 0.3397436 0.3205128 0.0000000), wk = 0.0032154 k( 72) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032154 k( 73) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032154 k( 74) = ( 0.3267974 0.3267974 0.0000000), wk = 0.0032154 k( 75) = ( 0.3202614 0.3202614 -0.0000000), wk = 0.0032154 k( 76) = ( 0.3137255 0.3137255 -0.0000000), wk = 0.0032154 k( 77) = ( 0.3071895 0.3071895 -0.0000000), wk = 0.0032154 k( 78) = ( 0.3006536 0.3006536 -0.0000000), wk = 0.0032154 k( 79) = ( 0.2941177 0.2941176 -0.0000000), wk = 0.0032154 k( 80) = ( 0.2875817 0.2875817 0.0000000), wk = 0.0032154 k( 81) = ( 0.2810457 0.2810457 -0.0000000), wk = 0.0032154 k( 82) = ( 0.2745098 0.2745098 -0.0000000), wk = 0.0032154 k( 83) = ( 0.2679739 0.2679739 0.0000000), wk = 0.0032154 k( 84) = ( 0.2614379 0.2614379 0.0000000), wk = 0.0032154 k( 85) = ( 0.2549020 0.2549020 0.0000000), wk = 0.0032154 k( 86) = ( 0.2483660 0.2483660 -0.0000000), wk = 0.0032154 k( 87) = ( 0.2418301 0.2418301 -0.0000000), wk = 0.0032154 k( 88) = ( 0.2352941 0.2352941 -0.0000000), wk = 0.0032154 k( 89) = ( 0.2287582 0.2287582 -0.0000000), wk = 0.0032154 k( 90) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0032154 k( 91) = ( 0.2156863 0.2156863 0.0000000), wk = 0.0032154 k( 92) = ( 0.2091503 0.2091503 -0.0000000), wk = 0.0032154 k( 93) = ( 0.2026144 0.2026144 0.0000000), wk = 0.0032154 k( 94) = ( 0.1960784 0.1960784 -0.0000000), wk = 0.0032154 k( 95) = ( 0.1895425 0.1895425 0.0000000), wk = 0.0032154 k( 96) = ( 0.1830065 0.1830065 -0.0000000), wk = 0.0032154 k( 97) = ( 0.1764706 0.1764706 0.0000000), wk = 0.0032154 k( 98) = ( 0.1699346 0.1699346 0.0000000), wk = 0.0032154 k( 99) = ( 0.1633987 0.1633987 -0.0000000), wk = 0.0032154 k( 100) = ( 0.1568627 0.1568627 0.0000000), wk = 0.0032154 k( 101) = ( 0.1503268 0.1503268 -0.0000000), wk = 0.0032154 k( 102) = ( 0.1437908 0.1437908 0.0000000), wk = 0.0032154 k( 103) = ( 0.1372549 0.1372549 -0.0000000), wk = 0.0032154 k( 104) = ( 0.1307190 0.1307189 -0.0000000), wk = 0.0032154 k( 105) = ( 0.1241830 0.1241830 0.0000000), wk = 0.0032154 k( 106) = ( 0.1176471 0.1176471 -0.0000000), wk = 0.0032154 k( 107) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0032154 k( 108) = ( 0.1045752 0.1045752 -0.0000000), wk = 0.0032154 k( 109) = ( 0.0980392 0.0980392 -0.0000000), wk = 0.0032154 k( 110) = ( 0.0915033 0.0915033 -0.0000000), wk = 0.0032154 k( 111) = ( 0.0849673 0.0849673 0.0000000), wk = 0.0032154 k( 112) = ( 0.0784314 0.0784314 -0.0000000), wk = 0.0032154 k( 113) = ( 0.0718954 0.0718954 0.0000000), wk = 0.0032154 k( 114) = ( 0.0653595 0.0653595 -0.0000000), wk = 0.0032154 k( 115) = ( 0.0588235 0.0588235 -0.0000000), wk = 0.0032154 k( 116) = ( 0.0522876 0.0522876 -0.0000000), wk = 0.0032154 k( 117) = ( 0.0457516 0.0457516 0.0000000), wk = 0.0032154 k( 118) = ( 0.0392157 0.0392157 0.0000000), wk = 0.0032154 k( 119) = ( 0.0326797 0.0326797 -0.0000000), wk = 0.0032154 k( 120) = ( 0.0261438 0.0261438 -0.0000000), wk = 0.0032154 k( 121) = ( 0.0196078 0.0196078 -0.0000000), wk = 0.0032154 k( 122) = ( 0.0130719 0.0130719 -0.0000000), wk = 0.0032154 k( 123) = ( 0.0065359 0.0065359 -0.0000000), wk = 0.0032154 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032154 k( 126) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0032154 k( 127) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0032154 k( 128) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0032154 k( 129) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0032154 k( 130) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0032154 k( 131) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0032154 k( 132) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0032154 k( 133) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0032154 k( 134) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0032154 k( 135) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0032154 k( 136) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0032154 k( 137) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0032154 k( 138) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0032154 k( 139) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0032154 k( 140) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0032154 k( 141) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0032154 k( 142) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0032154 k( 143) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0032154 k( 144) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0032154 k( 145) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032154 k( 146) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032154 k( 147) = ( 0.0113636 -0.0000000 0.5000000), wk = 0.0032154 k( 148) = ( 0.0227273 -0.0000000 0.5000000), wk = 0.0032154 k( 149) = ( 0.0340909 -0.0000000 0.5000000), wk = 0.0032154 k( 150) = ( 0.0454546 -0.0000000 0.5000000), wk = 0.0032154 k( 151) = ( 0.0568182 -0.0000000 0.5000000), wk = 0.0032154 k( 152) = ( 0.0681818 -0.0000000 0.5000000), wk = 0.0032154 k( 153) = ( 0.0795455 -0.0000000 0.5000000), wk = 0.0032154 k( 154) = ( 0.0909091 -0.0000000 0.5000000), wk = 0.0032154 k( 155) = ( 0.1022727 0.0000000 0.5000000), wk = 0.0032154 k( 156) = ( 0.1136364 -0.0000000 0.5000000), wk = 0.0032154 k( 157) = ( 0.1250000 -0.0000000 0.5000000), wk = 0.0032154 k( 158) = ( 0.1363636 -0.0000000 0.5000000), wk = 0.0032154 k( 159) = ( 0.1477273 -0.0000000 0.5000000), wk = 0.0032154 k( 160) = ( 0.1590909 -0.0000000 0.5000000), wk = 0.0032154 k( 161) = ( 0.1704546 -0.0000000 0.5000000), wk = 0.0032154 k( 162) = ( 0.1818182 -0.0000000 0.5000000), wk = 0.0032154 k( 163) = ( 0.1931818 -0.0000000 0.5000000), wk = 0.0032154 k( 164) = ( 0.2045454 0.0000000 0.5000000), wk = 0.0032154 k( 165) = ( 0.2159091 -0.0000000 0.5000000), wk = 0.0032154 k( 166) = ( 0.2272727 -0.0000000 0.5000000), wk = 0.0032154 k( 167) = ( 0.2386364 -0.0000000 0.5000000), wk = 0.0032154 k( 168) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0032154 k( 169) = ( 0.2613636 -0.0000000 0.5000000), wk = 0.0032154 k( 170) = ( 0.2727273 -0.0000000 0.5000000), wk = 0.0032154 k( 171) = ( 0.2840909 -0.0000000 0.5000000), wk = 0.0032154 k( 172) = ( 0.2954545 -0.0000000 0.5000000), wk = 0.0032154 k( 173) = ( 0.3068182 0.0000000 0.5000000), wk = 0.0032154 k( 174) = ( 0.3181818 -0.0000000 0.5000000), wk = 0.0032154 k( 175) = ( 0.3295455 -0.0000000 0.5000000), wk = 0.0032154 k( 176) = ( 0.3409091 -0.0000000 0.5000000), wk = 0.0032154 k( 177) = ( 0.3522727 -0.0000000 0.5000000), wk = 0.0032154 k( 178) = ( 0.3636364 -0.0000000 0.5000000), wk = 0.0032154 k( 179) = ( 0.3750000 -0.0000000 0.5000000), wk = 0.0032154 k( 180) = ( 0.3863636 -0.0000000 0.5000000), wk = 0.0032154 k( 181) = ( 0.3977273 -0.0000000 0.5000000), wk = 0.0032154 k( 182) = ( 0.4090909 -0.0000000 0.5000000), wk = 0.0032154 k( 183) = ( 0.4204545 0.0000000 0.5000000), wk = 0.0032154 k( 184) = ( 0.4318182 -0.0000000 0.5000000), wk = 0.0032154 k( 185) = ( 0.4431818 0.0000000 0.5000000), wk = 0.0032154 k( 186) = ( 0.4545455 -0.0000000 0.5000000), wk = 0.0032154 k( 187) = ( 0.4659091 -0.0000000 0.5000000), wk = 0.0032154 k( 188) = ( 0.4772727 -0.0000000 0.5000000), wk = 0.0032154 k( 189) = ( 0.4886364 -0.0000000 0.5000000), wk = 0.0032154 k( 190) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0032154 k( 191) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0032154 k( 192) = ( 0.4935897 0.0128205 0.5000000), wk = 0.0032154 k( 193) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0032154 k( 194) = ( 0.4807692 0.0384615 0.5000000), wk = 0.0032154 k( 195) = ( 0.4743590 0.0512821 0.5000000), wk = 0.0032154 k( 196) = ( 0.4679487 0.0641026 0.5000000), wk = 0.0032154 k( 197) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0032154 k( 198) = ( 0.4551282 0.0897436 0.5000000), wk = 0.0032154 k( 199) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0032154 k( 200) = ( 0.4423077 0.1153846 0.5000000), wk = 0.0032154 k( 201) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0032154 k( 202) = ( 0.4294872 0.1410256 0.5000000), wk = 0.0032154 k( 203) = ( 0.4230769 0.1538461 0.5000000), wk = 0.0032154 k( 204) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0032154 k( 205) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0032154 k( 206) = ( 0.4038462 0.1923077 0.5000000), wk = 0.0032154 k( 207) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0032154 k( 208) = ( 0.3910256 0.2179487 0.5000000), wk = 0.0032154 k( 209) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0032154 k( 210) = ( 0.3782051 0.2435897 0.5000000), wk = 0.0032154 k( 211) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0032154 k( 212) = ( 0.3653846 0.2692308 0.5000000), wk = 0.0032154 k( 213) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0032154 k( 214) = ( 0.3525641 0.2948718 0.5000000), wk = 0.0032154 k( 215) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0032154 k( 216) = ( 0.3397436 0.3205128 0.5000000), wk = 0.0032154 k( 217) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032154 k( 218) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032154 k( 219) = ( 0.3267974 0.3267974 0.5000000), wk = 0.0032154 k( 220) = ( 0.3202614 0.3202614 0.5000000), wk = 0.0032154 k( 221) = ( 0.3137255 0.3137255 0.5000000), wk = 0.0032154 k( 222) = ( 0.3071895 0.3071895 0.5000000), wk = 0.0032154 k( 223) = ( 0.3006536 0.3006536 0.5000000), wk = 0.0032154 k( 224) = ( 0.2941177 0.2941176 0.5000000), wk = 0.0032154 k( 225) = ( 0.2875817 0.2875817 0.5000000), wk = 0.0032154 k( 226) = ( 0.2810457 0.2810457 0.5000000), wk = 0.0032154 k( 227) = ( 0.2745098 0.2745098 0.5000000), wk = 0.0032154 k( 228) = ( 0.2679739 0.2679739 0.5000000), wk = 0.0032154 k( 229) = ( 0.2614379 0.2614379 0.5000000), wk = 0.0032154 k( 230) = ( 0.2549020 0.2549020 0.5000000), wk = 0.0032154 k( 231) = ( 0.2483660 0.2483660 0.5000000), wk = 0.0032154 k( 232) = ( 0.2418301 0.2418301 0.5000000), wk = 0.0032154 k( 233) = ( 0.2352941 0.2352941 0.5000000), wk = 0.0032154 k( 234) = ( 0.2287582 0.2287582 0.5000000), wk = 0.0032154 k( 235) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0032154 k( 236) = ( 0.2156863 0.2156863 0.5000000), wk = 0.0032154 k( 237) = ( 0.2091503 0.2091503 0.5000000), wk = 0.0032154 k( 238) = ( 0.2026144 0.2026144 0.5000000), wk = 0.0032154 k( 239) = ( 0.1960784 0.1960784 0.5000000), wk = 0.0032154 k( 240) = ( 0.1895425 0.1895425 0.5000000), wk = 0.0032154 k( 241) = ( 0.1830065 0.1830065 0.5000000), wk = 0.0032154 k( 242) = ( 0.1764706 0.1764706 0.5000000), wk = 0.0032154 k( 243) = ( 0.1699346 0.1699346 0.5000000), wk = 0.0032154 k( 244) = ( 0.1633987 0.1633987 0.5000000), wk = 0.0032154 k( 245) = ( 0.1568627 0.1568627 0.5000000), wk = 0.0032154 k( 246) = ( 0.1503268 0.1503268 0.5000000), wk = 0.0032154 k( 247) = ( 0.1437908 0.1437908 0.5000000), wk = 0.0032154 k( 248) = ( 0.1372549 0.1372549 0.5000000), wk = 0.0032154 k( 249) = ( 0.1307190 0.1307189 0.5000000), wk = 0.0032154 k( 250) = ( 0.1241830 0.1241830 0.5000000), wk = 0.0032154 k( 251) = ( 0.1176471 0.1176471 0.5000000), wk = 0.0032154 k( 252) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0032154 k( 253) = ( 0.1045752 0.1045752 0.5000000), wk = 0.0032154 k( 254) = ( 0.0980392 0.0980392 0.5000000), wk = 0.0032154 k( 255) = ( 0.0915033 0.0915033 0.5000000), wk = 0.0032154 k( 256) = ( 0.0849673 0.0849673 0.5000000), wk = 0.0032154 k( 257) = ( 0.0784314 0.0784314 0.5000000), wk = 0.0032154 k( 258) = ( 0.0718954 0.0718954 0.5000000), wk = 0.0032154 k( 259) = ( 0.0653595 0.0653595 0.5000000), wk = 0.0032154 k( 260) = ( 0.0588235 0.0588235 0.5000000), wk = 0.0032154 k( 261) = ( 0.0522876 0.0522876 0.5000000), wk = 0.0032154 k( 262) = ( 0.0457516 0.0457516 0.5000000), wk = 0.0032154 k( 263) = ( 0.0392157 0.0392157 0.5000000), wk = 0.0032154 k( 264) = ( 0.0326797 0.0326797 0.5000000), wk = 0.0032154 k( 265) = ( 0.0261438 0.0261438 0.5000000), wk = 0.0032154 k( 266) = ( 0.0196078 0.0196078 0.5000000), wk = 0.0032154 k( 267) = ( 0.0130719 0.0130719 0.5000000), wk = 0.0032154 k( 268) = ( 0.0065359 0.0065359 0.5000000), wk = 0.0032154 k( 269) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032154 k( 270) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0032154 k( 271) = ( 0.5000000 -0.0000000 0.4750000), wk = 0.0032154 k( 272) = ( 0.5000000 -0.0000000 0.4500000), wk = 0.0032154 k( 273) = ( 0.5000000 -0.0000000 0.4250000), wk = 0.0032154 k( 274) = ( 0.5000000 -0.0000000 0.4000000), wk = 0.0032154 k( 275) = ( 0.5000000 -0.0000000 0.3750000), wk = 0.0032154 k( 276) = ( 0.5000000 -0.0000000 0.3500000), wk = 0.0032154 k( 277) = ( 0.5000000 -0.0000000 0.3250000), wk = 0.0032154 k( 278) = ( 0.5000000 -0.0000000 0.3000000), wk = 0.0032154 k( 279) = ( 0.5000000 -0.0000000 0.2750000), wk = 0.0032154 k( 280) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0032154 k( 281) = ( 0.5000000 -0.0000000 0.2250000), wk = 0.0032154 k( 282) = ( 0.5000000 -0.0000000 0.2000000), wk = 0.0032154 k( 283) = ( 0.5000000 -0.0000000 0.1750000), wk = 0.0032154 k( 284) = ( 0.5000000 -0.0000000 0.1500000), wk = 0.0032154 k( 285) = ( 0.5000000 -0.0000000 0.1250000), wk = 0.0032154 k( 286) = ( 0.5000000 -0.0000000 0.1000000), wk = 0.0032154 k( 287) = ( 0.5000000 -0.0000000 0.0750000), wk = 0.0032154 k( 288) = ( 0.5000000 -0.0000000 0.0500000), wk = 0.0032154 k( 289) = ( 0.5000000 -0.0000000 0.0250000), wk = 0.0032154 k( 290) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0032154 k( 291) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0032154 k( 292) = ( 0.3333333 0.3333333 0.0250000), wk = 0.0032154 k( 293) = ( 0.3333333 0.3333333 0.0500000), wk = 0.0032154 k( 294) = ( 0.3333333 0.3333333 0.0750000), wk = 0.0032154 k( 295) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0032154 k( 296) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0032154 k( 297) = ( 0.3333333 0.3333333 0.1500000), wk = 0.0032154 k( 298) = ( 0.3333333 0.3333333 0.1750000), wk = 0.0032154 k( 299) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0032154 k( 300) = ( 0.3333333 0.3333333 0.2250000), wk = 0.0032154 k( 301) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0032154 k( 302) = ( 0.3333333 0.3333333 0.2750000), wk = 0.0032154 k( 303) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0032154 k( 304) = ( 0.3333333 0.3333333 0.3250000), wk = 0.0032154 k( 305) = ( 0.3333333 0.3333333 0.3500000), wk = 0.0032154 k( 306) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0032154 k( 307) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0032154 k( 308) = ( 0.3333333 0.3333333 0.4250000), wk = 0.0032154 k( 309) = ( 0.3333333 0.3333333 0.4500000), wk = 0.0032154 k( 310) = ( 0.3333333 0.3333333 0.4750000), wk = 0.0032154 k( 311) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032154 Dense grid: 61567 G-vectors FFT dimensions: ( 45, 45, 80) Smooth grid: 33929 G-vectors FFT dimensions: ( 36, 36, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.24 Mb ( 252, 62) NL pseudopotentials 0.32 Mb ( 126, 164) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.01 Mb ( 1717) G-vector shells 0.01 Mb ( 803) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.95 Mb ( 252, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.31 Mb ( 164, 2, 62) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./CaCuAs.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 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 3.8 secs Computing kpt #: 3 total cpu time spent up to now is 4.6 secs Computing kpt #: 4 total cpu time spent up to now is 5.4 secs Computing kpt #: 5 total cpu time spent up to now is 6.2 secs Computing kpt #: 6 total cpu time spent up to now is 7.0 secs Computing kpt #: 7 total cpu time spent up to now is 7.9 secs Computing kpt #: 8 total cpu time spent up to now is 8.9 secs Computing kpt #: 9 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 10.8 secs Computing kpt #: 10 total cpu time spent up to now is 11.9 secs Computing kpt #: 11 total cpu time spent up to now is 12.8 secs Computing kpt #: 12 total cpu time spent up to now is 13.8 secs Computing kpt #: 13 total cpu time spent up to now is 14.6 secs Computing kpt #: 14 total cpu time spent up to now is 15.5 secs Computing kpt #: 15 total cpu time spent up to now is 16.2 secs Computing kpt #: 16 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 18.0 secs Computing kpt #: 17 total cpu time spent up to now is 19.7 secs Computing kpt #: 18 total cpu time spent up to now is 21.4 secs Computing kpt #: 19 total cpu time spent up to now is 22.8 secs Computing kpt #: 20 total cpu time spent up to now is 24.0 secs Computing kpt #: 21 total cpu time spent up to now is 25.2 secs Computing kpt #: 22 total cpu time spent up to now is 26.4 secs Computing kpt #: 23 total cpu time spent up to now is 27.6 secs Computing kpt #: 24 total cpu time spent up to now is 28.8 secs Computing kpt #: 25 total cpu time spent up to now is 30.0 secs Computing kpt #: 26 total cpu time spent up to now is 31.1 secs Computing kpt #: 27 total cpu time spent up to now is 32.2 secs Computing kpt #: 28 total cpu time spent up to now is 33.2 secs Computing kpt #: 29 total cpu time spent up to now is 34.3 secs Computing kpt #: 30 total cpu time spent up to now is 35.4 secs Computing kpt #: 31 total cpu time spent up to now is 36.6 secs Computing kpt #: 32 total cpu time spent up to now is 37.9 secs Computing kpt #: 33 total cpu time spent up to now is 39.2 secs Computing kpt #: 34 total cpu time spent up to now is 40.4 secs Computing kpt #: 35 total cpu time spent up to now is 41.9 secs Computing kpt #: 36 total cpu time spent up to now is 43.3 secs Computing kpt #: 37 total cpu time spent up to now is 45.1 secs Computing kpt #: 38 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 47.0 secs Computing kpt #: 39 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 48.9 secs Computing kpt #: 40 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 50.9 secs Computing kpt #: 41 total cpu time spent up to now is 52.5 secs Computing kpt #: 42 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 54.4 secs Computing kpt #: 43 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 56.3 secs Computing kpt #: 44 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 58.2 secs Computing kpt #: 45 total cpu time spent up to now is 59.4 secs Computing kpt #: 46 total cpu time spent up to now is 60.6 secs Computing kpt #: 47 total cpu time spent up to now is 61.7 secs Computing kpt #: 48 total cpu time spent up to now is 62.7 secs Computing kpt #: 49 total cpu time spent up to now is 63.6 secs Computing kpt #: 50 total cpu time spent up to now is 64.5 secs Computing kpt #: 51 total cpu time spent up to now is 65.3 secs Computing kpt #: 52 total cpu time spent up to now is 66.0 secs Computing kpt #: 53 total cpu time spent up to now is 67.3 secs Computing kpt #: 54 total cpu time spent up to now is 68.5 secs Computing kpt #: 55 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 70.3 secs Computing kpt #: 56 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 72.1 secs Computing kpt #: 57 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 74.0 secs Computing kpt #: 58 total cpu time spent up to now is 75.5 secs Computing kpt #: 59 total cpu time spent up to now is 77.1 secs Computing kpt #: 60 total cpu time spent up to now is 78.5 secs Computing kpt #: 61 total cpu time spent up to now is 79.7 secs Computing kpt #: 62 total cpu time spent up to now is 80.8 secs Computing kpt #: 63 total cpu time spent up to now is 81.8 secs Computing kpt #: 64 total cpu time spent up to now is 82.8 secs Computing kpt #: 65 total cpu time spent up to now is 83.8 secs Computing kpt #: 66 total cpu time spent up to now is 84.9 secs Computing kpt #: 67 total cpu time spent up to now is 85.9 secs Computing kpt #: 68 total cpu time spent up to now is 87.0 secs Computing kpt #: 69 total cpu time spent up to now is 87.9 secs Computing kpt #: 70 total cpu time spent up to now is 88.9 secs Computing kpt #: 71 total cpu time spent up to now is 89.8 secs Computing kpt #: 72 total cpu time spent up to now is 90.8 secs Computing kpt #: 73 total cpu time spent up to now is 91.8 secs Computing kpt #: 74 total cpu time spent up to now is 92.8 secs Computing kpt #: 75 total cpu time spent up to now is 93.7 secs Computing kpt #: 76 total cpu time spent up to now is 94.6 secs Computing kpt #: 77 total cpu time spent up to now is 95.6 secs Computing kpt #: 78 total cpu time spent up to now is 96.7 secs Computing kpt #: 79 total cpu time spent up to now is 97.9 secs Computing kpt #: 80 total cpu time spent up to now is 99.0 secs Computing kpt #: 81 total cpu time spent up to now is 99.9 secs Computing kpt #: 82 total cpu time spent up to now is 100.7 secs Computing kpt #: 83 total cpu time spent up to now is 101.5 secs Computing kpt #: 84 total cpu time spent up to now is 102.3 secs Computing kpt #: 85 total cpu time spent up to now is 103.0 secs Computing kpt #: 86 total cpu time spent up to now is 103.6 secs Computing kpt #: 87 total cpu time spent up to now is 104.3 secs Computing kpt #: 88 total cpu time spent up to now is 105.0 secs Computing kpt #: 89 total cpu time spent up to now is 105.7 secs Computing kpt #: 90 total cpu time spent up to now is 106.3 secs Computing kpt #: 91 total cpu time spent up to now is 107.0 secs Computing kpt #: 92 total cpu time spent up to now is 107.7 secs Computing kpt #: 93 total cpu time spent up to now is 108.5 secs Computing kpt #: 94 total cpu time spent up to now is 109.3 secs Computing kpt #: 95 total cpu time spent up to now is 110.1 secs Computing kpt #: 96 total cpu time spent up to now is 110.8 secs Computing kpt #: 97 total cpu time spent up to now is 111.9 secs Computing kpt #: 98 total cpu time spent up to now is 112.6 secs Computing kpt #: 99 total cpu time spent up to now is 113.5 secs Computing kpt #: 100 total cpu time spent up to now is 114.3 secs Computing kpt #: 101 total cpu time spent up to now is 115.2 secs Computing kpt #: 102 total cpu time spent up to now is 116.0 secs Computing kpt #: 103 total cpu time spent up to now is 117.3 secs Computing kpt #: 104 total cpu time spent up to now is 118.0 secs Computing kpt #: 105 total cpu time spent up to now is 119.1 secs Computing kpt #: 106 total cpu time spent up to now is 119.8 secs Computing kpt #: 107 total cpu time spent up to now is 121.0 secs Computing kpt #: 108 total cpu time spent up to now is 122.4 secs Computing kpt #: 109 total cpu time spent up to now is 123.7 secs Computing kpt #: 110 total cpu time spent up to now is 125.2 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 127.1 secs Computing kpt #: 112 total cpu time spent up to now is 128.0 secs Computing kpt #: 113 total cpu time spent up to now is 129.0 secs Computing kpt #: 114 total cpu time spent up to now is 130.0 secs Computing kpt #: 115 total cpu time spent up to now is 131.2 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 133.1 secs Computing kpt #: 117 total cpu time spent up to now is 134.1 secs Computing kpt #: 118 total cpu time spent up to now is 134.9 secs Computing kpt #: 119 total cpu time spent up to now is 135.6 secs Computing kpt #: 120 total cpu time spent up to now is 136.4 secs Computing kpt #: 121 total cpu time spent up to now is 137.2 secs Computing kpt #: 122 total cpu time spent up to now is 138.0 secs Computing kpt #: 123 total cpu time spent up to now is 138.9 secs Computing kpt #: 124 total cpu time spent up to now is 139.7 secs Computing kpt #: 125 total cpu time spent up to now is 140.5 secs Computing kpt #: 126 total cpu time spent up to now is 141.3 secs Computing kpt #: 127 total cpu time spent up to now is 142.1 secs Computing kpt #: 128 total cpu time spent up to now is 142.9 secs Computing kpt #: 129 total cpu time spent up to now is 143.7 secs Computing kpt #: 130 total cpu time spent up to now is 144.5 secs Computing kpt #: 131 total cpu time spent up to now is 145.2 secs Computing kpt #: 132 total cpu time spent up to now is 146.0 secs Computing kpt #: 133 total cpu time spent up to now is 146.7 secs Computing kpt #: 134 total cpu time spent up to now is 147.5 secs Computing kpt #: 135 total cpu time spent up to now is 148.2 secs Computing kpt #: 136 total cpu time spent up to now is 149.0 secs Computing kpt #: 137 total cpu time spent up to now is 149.8 secs Computing kpt #: 138 total cpu time spent up to now is 150.6 secs Computing kpt #: 139 total cpu time spent up to now is 151.3 secs Computing kpt #: 140 total cpu time spent up to now is 152.2 secs Computing kpt #: 141 total cpu time spent up to now is 153.1 secs Computing kpt #: 142 total cpu time spent up to now is 154.3 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 156.2 secs Computing kpt #: 144 total cpu time spent up to now is 157.3 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 159.5 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 161.4 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 163.2 secs Computing kpt #: 148 total cpu time spent up to now is 164.5 secs Computing kpt #: 149 total cpu time spent up to now is 165.5 secs Computing kpt #: 150 total cpu time spent up to now is 166.6 secs Computing kpt #: 151 total cpu time spent up to now is 167.5 secs Computing kpt #: 152 total cpu time spent up to now is 168.4 secs Computing kpt #: 153 total cpu time spent up to now is 169.4 secs Computing kpt #: 154 total cpu time spent up to now is 170.4 secs Computing kpt #: 155 total cpu time spent up to now is 171.4 secs Computing kpt #: 156 total cpu time spent up to now is 172.4 secs Computing kpt #: 157 total cpu time spent up to now is 173.4 secs Computing kpt #: 158 total cpu time spent up to now is 174.6 secs Computing kpt #: 159 total cpu time spent up to now is 176.0 secs Computing kpt #: 160 total cpu time spent up to now is 177.1 secs Computing kpt #: 161 total cpu time spent up to now is 178.2 secs Computing kpt #: 162 total cpu time spent up to now is 179.4 secs Computing kpt #: 163 total cpu time spent up to now is 180.9 secs Computing kpt #: 164 total cpu time spent up to now is 182.4 secs Computing kpt #: 165 total cpu time spent up to now is 183.7 secs Computing kpt #: 166 total cpu time spent up to now is 184.9 secs Computing kpt #: 167 total cpu time spent up to now is 186.0 secs Computing kpt #: 168 total cpu time spent up to now is 187.2 secs Computing kpt #: 169 total cpu time spent up to now is 188.3 secs Computing kpt #: 170 total cpu time spent up to now is 190.9 secs Computing kpt #: 171 total cpu time spent up to now is 192.1 secs Computing kpt #: 172 total cpu time spent up to now is 193.2 secs Computing kpt #: 173 total cpu time spent up to now is 194.3 secs Computing kpt #: 174 total cpu time spent up to now is 195.3 secs Computing kpt #: 175 total cpu time spent up to now is 196.4 secs Computing kpt #: 176 total cpu time spent up to now is 197.5 secs Computing kpt #: 177 total cpu time spent up to now is 198.5 secs Computing kpt #: 178 total cpu time spent up to now is 199.5 secs Computing kpt #: 179 total cpu time spent up to now is 200.5 secs Computing kpt #: 180 total cpu time spent up to now is 201.5 secs Computing kpt #: 181 total cpu time spent up to now is 202.3 secs Computing kpt #: 182 total cpu time spent up to now is 203.3 secs Computing kpt #: 183 total cpu time spent up to now is 204.5 secs Computing kpt #: 184 total cpu time spent up to now is 205.5 secs Computing kpt #: 185 total cpu time spent up to now is 206.7 secs Computing kpt #: 186 total cpu time spent up to now is 207.9 secs Computing kpt #: 187 total cpu time spent up to now is 209.2 secs Computing kpt #: 188 total cpu time spent up to now is 210.6 secs Computing kpt #: 189 total cpu time spent up to now is 212.2 secs Computing kpt #: 190 total cpu time spent up to now is 213.9 secs Computing kpt #: 191 total cpu time spent up to now is 215.6 secs Computing kpt #: 192 total cpu time spent up to now is 217.4 secs Computing kpt #: 193 total cpu time spent up to now is 219.1 secs Computing kpt #: 194 total cpu time spent up to now is 220.0 secs Computing kpt #: 195 total cpu time spent up to now is 220.8 secs Computing kpt #: 196 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 222.6 secs Computing kpt #: 197 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 224.3 secs Computing kpt #: 198 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 226.1 secs Computing kpt #: 199 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 227.9 secs Computing kpt #: 200 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 229.7 secs Computing kpt #: 201 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 231.6 secs Computing kpt #: 202 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 233.3 secs Computing kpt #: 203 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 235.1 secs Computing kpt #: 204 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 237.0 secs Computing kpt #: 205 total cpu time spent up to now is 237.9 secs Computing kpt #: 206 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 239.7 secs Computing kpt #: 207 total cpu time spent up to now is 241.0 secs Computing kpt #: 208 total cpu time spent up to now is 242.0 secs Computing kpt #: 209 total cpu time spent up to now is 242.9 secs Computing kpt #: 210 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 244.7 secs Computing kpt #: 211 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 246.7 secs Computing kpt #: 212 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 248.5 secs Computing kpt #: 213 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 250.3 secs Computing kpt #: 214 total cpu time spent up to now is 251.4 secs Computing kpt #: 215 total cpu time spent up to now is 252.4 secs Computing kpt #: 216 total cpu time spent up to now is 253.5 secs Computing kpt #: 217 total cpu time spent up to now is 254.5 secs Computing kpt #: 218 total cpu time spent up to now is 255.5 secs Computing kpt #: 219 total cpu time spent up to now is 256.5 secs Computing kpt #: 220 total cpu time spent up to now is 257.6 secs Computing kpt #: 221 total cpu time spent up to now is 259.4 secs Computing kpt #: 222 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 261.3 secs Computing kpt #: 223 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 263.2 secs Computing kpt #: 224 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 265.1 secs Computing kpt #: 225 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 267.0 secs Computing kpt #: 226 total cpu time spent up to now is 268.0 secs Computing kpt #: 227 total cpu time spent up to now is 269.5 secs Computing kpt #: 228 total cpu time spent up to now is 270.7 secs Computing kpt #: 229 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 272.5 secs Computing kpt #: 230 total cpu time spent up to now is 273.5 secs Computing kpt #: 231 total cpu time spent up to now is 274.6 secs Computing kpt #: 232 total cpu time spent up to now is 275.7 secs Computing kpt #: 233 total cpu time spent up to now is 277.0 secs Computing kpt #: 234 total cpu time spent up to now is 278.1 secs Computing kpt #: 235 total cpu time spent up to now is 279.1 secs Computing kpt #: 236 total cpu time spent up to now is 280.3 secs Computing kpt #: 237 total cpu time spent up to now is 281.4 secs Computing kpt #: 238 total cpu time spent up to now is 282.2 secs Computing kpt #: 239 total cpu time spent up to now is 282.9 secs Computing kpt #: 240 total cpu time spent up to now is 283.7 secs Computing kpt #: 241 total cpu time spent up to now is 284.4 secs Computing kpt #: 242 total cpu time spent up to now is 285.3 secs Computing kpt #: 243 total cpu time spent up to now is 286.1 secs Computing kpt #: 244 total cpu time spent up to now is 286.9 secs Computing kpt #: 245 total cpu time spent up to now is 287.8 secs Computing kpt #: 246 total cpu time spent up to now is 288.6 secs Computing kpt #: 247 total cpu time spent up to now is 289.5 secs Computing kpt #: 248 total cpu time spent up to now is 290.4 secs Computing kpt #: 249 total cpu time spent up to now is 291.6 secs Computing kpt #: 250 total cpu time spent up to now is 292.4 secs Computing kpt #: 251 total cpu time spent up to now is 293.6 secs Computing kpt #: 252 total cpu time spent up to now is 294.7 secs Computing kpt #: 253 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 296.6 secs Computing kpt #: 254 total cpu time spent up to now is 297.9 secs Computing kpt #: 255 total cpu time spent up to now is 299.2 secs Computing kpt #: 256 total cpu time spent up to now is 300.3 secs Computing kpt #: 257 total cpu time spent up to now is 301.3 secs Computing kpt #: 258 total cpu time spent up to now is 302.4 secs Computing kpt #: 259 total cpu time spent up to now is 303.6 secs Computing kpt #: 260 total cpu time spent up to now is 305.3 secs Computing kpt #: 261 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 307.1 secs Computing kpt #: 262 total cpu time spent up to now is 308.7 secs Computing kpt #: 263 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 310.6 secs Computing kpt #: 264 total cpu time spent up to now is 311.7 secs Computing kpt #: 265 total cpu time spent up to now is 312.9 secs Computing kpt #: 266 total cpu time spent up to now is 314.0 secs Computing kpt #: 267 total cpu time spent up to now is 315.1 secs Computing kpt #: 268 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 317.0 secs Computing kpt #: 269 total cpu time spent up to now is 318.7 secs Computing kpt #: 270 total cpu time spent up to now is 320.3 secs Computing kpt #: 271 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 322.0 secs Computing kpt #: 272 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 323.8 secs Computing kpt #: 273 total cpu time spent up to now is 325.6 secs Computing kpt #: 274 total cpu time spent up to now is 327.0 secs Computing kpt #: 275 total cpu time spent up to now is 327.8 secs Computing kpt #: 276 total cpu time spent up to now is 328.7 secs Computing kpt #: 277 total cpu time spent up to now is 329.5 secs Computing kpt #: 278 total cpu time spent up to now is 330.5 secs Computing kpt #: 279 total cpu time spent up to now is 331.2 secs Computing kpt #: 280 total cpu time spent up to now is 332.0 secs Computing kpt #: 281 total cpu time spent up to now is 332.8 secs Computing kpt #: 282 total cpu time spent up to now is 333.6 secs Computing kpt #: 283 total cpu time spent up to now is 334.5 secs Computing kpt #: 284 total cpu time spent up to now is 335.8 secs Computing kpt #: 285 total cpu time spent up to now is 337.0 secs Computing kpt #: 286 total cpu time spent up to now is 338.5 secs Computing kpt #: 287 total cpu time spent up to now is 339.8 secs Computing kpt #: 288 total cpu time spent up to now is 341.1 secs Computing kpt #: 289 total cpu time spent up to now is 342.3 secs Computing kpt #: 290 total cpu time spent up to now is 343.6 secs Computing kpt #: 291 total cpu time spent up to now is 344.6 secs Computing kpt #: 292 total cpu time spent up to now is 345.5 secs Computing kpt #: 293 total cpu time spent up to now is 346.5 secs Computing kpt #: 294 total cpu time spent up to now is 347.4 secs Computing kpt #: 295 total cpu time spent up to now is 348.4 secs Computing kpt #: 296 total cpu time spent up to now is 349.3 secs Computing kpt #: 297 total cpu time spent up to now is 350.3 secs Computing kpt #: 298 total cpu time spent up to now is 351.2 secs Computing kpt #: 299 total cpu time spent up to now is 352.2 secs Computing kpt #: 300 total cpu time spent up to now is 353.1 secs Computing kpt #: 301 total cpu time spent up to now is 354.1 secs Computing kpt #: 302 total cpu time spent up to now is 354.9 secs Computing kpt #: 303 total cpu time spent up to now is 355.8 secs Computing kpt #: 304 total cpu time spent up to now is 356.8 secs Computing kpt #: 305 total cpu time spent up to now is 357.7 secs Computing kpt #: 306 total cpu time spent up to now is 358.7 secs Computing kpt #: 307 total cpu time spent up to now is 359.8 secs Computing kpt #: 308 total cpu time spent up to now is 360.9 secs Computing kpt #: 309 total cpu time spent up to now is 362.0 secs Computing kpt #: 310 total cpu time spent up to now is 363.2 secs Computing kpt #: 311 total cpu time spent up to now is 364.3 secs ethr = 1.92E-08, avg # of iterations = 60.4 total cpu time spent up to now is 364.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4251 PWs) bands (ev): -31.9892 -31.9892 -31.9840 -31.9840 -13.2870 -13.2870 -13.2493 -13.2493 -12.9348 -12.9348 -12.8751 -12.8751 -12.8689 -12.8689 -12.8591 -12.8591 -2.7053 -2.7053 -2.1026 -2.1026 4.4459 4.4459 4.7897 4.7897 4.8709 4.8709 4.9714 4.9714 5.0693 5.0693 5.7095 5.7095 5.9776 5.9776 5.9845 5.9845 6.0126 6.0126 6.1655 6.1655 6.3267 6.3267 7.8853 7.8853 8.6246 8.6246 8.6510 8.6510 9.5181 9.5181 9.6032 9.6032 9.9892 9.9892 10.2872 10.2872 10.4384 10.4384 11.0781 11.0781 11.0839 11.0839 k = 0.0114 0.0066-0.0000 ( 4263 PWs) bands (ev): -31.9892 -31.9892 -31.9840 -31.9840 -13.2870 -13.2870 -13.2494 -13.2494 -12.9348 -12.9348 -12.8752 -12.8752 -12.8690 -12.8690 -12.8592 -12.8592 -2.7043 -2.7043 -2.1021 -2.1021 4.4469 4.4469 4.7896 4.7896 4.8707 4.8707 4.9710 4.9710 5.0688 5.0688 5.7096 5.7096 5.9775 5.9775 5.9845 5.9845 6.0123 6.0123 6.1656 6.1656 6.3266 6.3266 7.8855 7.8855 8.6171 8.6171 8.6450 8.6450 9.4922 9.4922 9.5788 9.5788 10.0254 10.0254 10.2992 10.2992 10.4387 10.4387 11.0872 11.0872 11.0924 11.0924 k = 0.0227 0.0131-0.0000 ( 4263 PWs) bands (ev): -31.9892 -31.9892 -31.9840 -31.9840 -13.2870 -13.2870 -13.2495 -13.2495 -12.9349 -12.9349 -12.8753 -12.8753 -12.8691 -12.8691 -12.8593 -12.8593 -2.7012 -2.7012 -2.1006 -2.1006 4.4500 4.4500 4.7894 4.7894 4.8703 4.8703 4.9699 4.9699 5.0674 5.0674 5.7101 5.7101 5.9772 5.9772 5.9850 5.9850 6.0115 6.0115 6.1661 6.1661 6.3265 6.3265 7.8860 7.8860 8.5876 8.5876 8.6348 8.6348 9.4101 9.4101 9.5387 9.5387 10.1056 10.1056 10.3342 10.3342 10.4403 10.4403 11.1144 11.1144 11.1181 11.1181 k = 0.0341 0.0197-0.0000 ( 4261 PWs) bands (ev): -31.9892 -31.9892 -31.9839 -31.9839 -13.2870 -13.2870 -13.2496 -13.2496 -12.9349 -12.9349 -12.8753 -12.8753 -12.8694 -12.8694 -12.8596 -12.8596 -2.6960 -2.6960 -2.0980 -2.0980 4.4552 4.4552 4.7889 4.7889 4.8698 4.8698 4.9676 4.9676 5.0654 5.0654 5.7110 5.7110 5.9766 5.9766 5.9858 5.9858 6.0103 6.0103 6.1670 6.1670 6.3263 6.3263 7.8868 7.8868 8.5348 8.5348 8.6247 8.6247 9.2935 9.2935 9.4951 9.4951 10.1951 10.1951 10.3886 10.3886 10.4442 10.4442 11.1566 11.1566 11.1636 11.1636 k = 0.0455 0.0262-0.0000 ( 4261 PWs) bands (ev): -31.9891 -31.9891 -31.9839 -31.9839 -13.2871 -13.2871 -13.2499 -13.2499 -12.9350 -12.9350 -12.8754 -12.8754 -12.8699 -12.8699 -12.8599 -12.8599 -2.6888 -2.6888 -2.0943 -2.0943 4.4624 4.4624 4.7877 4.7877 4.8696 4.8696 4.9638 4.9638 5.0634 5.0634 5.7121 5.7121 5.9757 5.9757 5.9869 5.9869 6.0088 6.0088 6.1683 6.1683 6.3260 6.3260 7.8880 7.8880 8.4645 8.4645 8.6127 8.6127 9.1635 9.1635 9.4431 9.4431 10.2767 10.2767 10.4343 10.4343 10.4771 10.4771 11.2107 11.2107 11.2305 11.2305 k = 0.0568 0.0328-0.0000 ( 4257 PWs) bands (ev): -31.9891 -31.9891 -31.9838 -31.9838 -13.2872 -13.2872 -13.2502 -13.2502 -12.9350 -12.9350 -12.8756 -12.8756 -12.8704 -12.8704 -12.8603 -12.8603 -2.6795 -2.6795 -2.0897 -2.0897 4.4715 4.4715 4.7855 4.7855 4.8700 4.8700 4.9578 4.9578 5.0618 5.0618 5.7134 5.7134 5.9742 5.9742 5.9882 5.9882 6.0072 6.0072 6.1700 6.1700 6.3257 6.3257 7.8895 7.8895 8.3811 8.3811 8.5980 8.5980 9.0284 9.0284 9.3825 9.3825 10.3428 10.3428 10.4421 10.4421 10.5663 10.5663 11.2757 11.2757 11.3175 11.3175 k = 0.0682 0.0394-0.0000 ( 4257 PWs) bands (ev): -31.9890 -31.9890 -31.9838 -31.9838 -13.2873 -13.2873 -13.2506 -13.2506 -12.9351 -12.9351 -12.8758 -12.8758 -12.8710 -12.8710 -12.8609 -12.8609 -2.6683 -2.6683 -2.0841 -2.0841 4.4826 4.4826 4.7817 4.7817 4.8714 4.8714 4.9489 4.9489 5.0614 5.0614 5.7151 5.7151 5.9721 5.9721 5.9899 5.9899 6.0057 6.0057 6.1721 6.1721 6.3254 6.3254 7.8913 7.8913 8.2882 8.2882 8.5804 8.5804 8.8917 8.8917 9.3148 9.3148 10.3903 10.3903 10.4495 10.4495 10.6727 10.6727 11.3494 11.3494 11.4226 11.4226 k = 0.0795 0.0459-0.0000 ( 4257 PWs) bands (ev): -31.9890 -31.9890 -31.9837 -31.9837 -13.2874 -13.2874 -13.2510 -13.2510 -12.9352 -12.9352 -12.8762 -12.8762 -12.8716 -12.8716 -12.8615 -12.8615 -2.6550 -2.6550 -2.0774 -2.0774 4.4956 4.4956 4.7760 4.7760 4.8740 4.8740 4.9370 4.9370 5.0626 5.0626 5.7169 5.7169 5.9691 5.9691 5.9917 5.9917 6.0045 6.0045 6.1748 6.1748 6.3251 6.3251 7.8934 7.8934 8.1883 8.1883 8.5599 8.5599 8.7553 8.7553 9.2415 9.2415 10.4136 10.4136 10.4678 10.4678 10.7887 10.7887 11.4299 11.4299 11.5428 11.5428 k = 0.0909 0.0525-0.0000 ( 4261 PWs) bands (ev): -31.9889 -31.9889 -31.9836 -31.9836 -13.2875 -13.2875 -13.2515 -13.2515 -12.9353 -12.9353 -12.8766 -12.8766 -12.8723 -12.8723 -12.8622 -12.8622 -2.6399 -2.6399 -2.0698 -2.0698 4.5104 4.5104 4.7683 4.7683 4.8776 4.8776 4.9221 4.9221 5.0656 5.0656 5.7187 5.7187 5.9652 5.9652 5.9937 5.9937 6.0038 6.0038 6.1780 6.1780 6.3248 6.3248 7.8956 7.8956 8.0838 8.0838 8.5364 8.5364 8.6205 8.6205 9.1639 9.1639 10.4174 10.4174 10.4957 10.4957 10.9107 10.9107 11.5154 11.5154 11.6468 11.6473 k = 0.1023 0.0590-0.0000 ( 4255 PWs) bands (ev): -31.9888 -31.9888 -31.9835 -31.9835 -13.2876 -13.2876 -13.2521 -13.2521 -12.9354 -12.9354 -12.8773 -12.8773 -12.8728 -12.8728 -12.8630 -12.8630 -2.6228 -2.6228 -2.0613 -2.0613 4.5268 4.5268 4.7586 4.7586 4.8803 4.8803 4.9064 4.9064 5.0704 5.0704 5.7207 5.7207 5.9605 5.9605 5.9958 5.9958 6.0037 6.0037 6.1818 6.1818 6.3245 6.3245 7.8978 7.8978 7.9764 7.9764 8.4861 8.4861 8.5122 8.5122 9.0832 9.0832 10.4130 10.4130 10.5244 10.5244 11.0366 11.0366 11.5943 11.5943 11.6046 11.6046 k = 0.1136 0.0656-0.0000 ( 4255 PWs) bands (ev): -31.9887 -31.9887 -31.9835 -31.9835 -13.2878 -13.2878 -13.2527 -13.2527 -12.9356 -12.9356 -12.8781 -12.8781 -12.8733 -12.8733 -12.8639 -12.8639 -2.6039 -2.6039 -2.0518 -2.0518 4.5448 4.5448 4.7469 4.7469 4.8713 4.8713 4.9007 4.9007 5.0767 5.0767 5.7225 5.7225 5.9549 5.9549 5.9979 5.9979 6.0041 6.0041 6.1863 6.1863 6.3244 6.3244 7.8647 7.8647 7.9024 7.9024 8.3573 8.3573 8.4826 8.4826 9.0003 9.0003 10.4040 10.4040 10.5520 10.5520 11.1646 11.1646 11.5374 11.5374 11.6962 11.6962 k = 0.1250 0.0722-0.0000 ( 4245 PWs) bands (ev): -31.9886 -31.9886 -31.9833 -31.9833 -13.2879 -13.2879 -13.2533 -13.2533 -12.9357 -12.9357 -12.8791 -12.8791 -12.8737 -12.8737 -12.8649 -12.8649 -2.5831 -2.5831 -2.0415 -2.0415 4.5641 4.5641 4.7333 4.7333 4.8485 4.8485 4.9072 4.9072 5.0846 5.0846 5.7242 5.7242 5.9487 5.9487 6.0000 6.0000 6.0050 6.0050 6.1916 6.1916 6.3246 6.3246 7.7554 7.7554 7.9034 7.9034 8.2312 8.2312 8.4516 8.4516 8.9159 8.9159 10.3912 10.3912 10.5789 10.5789 11.2930 11.2930 11.4768 11.4768 11.7893 11.7893 k = 0.1364 0.0787-0.0000 ( 4245 PWs) bands (ev): -31.9885 -31.9885 -31.9832 -31.9832 -13.2881 -13.2881 -13.2540 -13.2540 -12.9359 -12.9359 -12.8803 -12.8803 -12.8740 -12.8740 -12.8659 -12.8659 -2.5607 -2.5607 -2.0303 -2.0303 4.5844 4.5844 4.7183 4.7183 4.8204 4.8204 4.9172 4.9172 5.0937 5.0937 5.7255 5.7255 5.9422 5.9422 6.0019 6.0019 6.0064 6.0064 6.1974 6.1974 6.3250 6.3250 7.6454 7.6454 7.9036 7.9036 8.1102 8.1102 8.4183 8.4183 8.8307 8.8307 10.3749 10.3749 10.6058 10.6058 11.4113 11.4113 11.4222 11.4222 11.8826 11.8826 k = 0.1477 0.0853-0.0000 ( 4247 PWs) bands (ev): -31.9883 -31.9883 -31.9831 -31.9831 -13.2883 -13.2883 -13.2548 -13.2548 -12.9361 -12.9361 -12.8817 -12.8817 -12.8742 -12.8742 -12.8670 -12.8670 -2.5365 -2.5365 -2.0183 -2.0183 4.6051 4.6051 4.7024 4.7024 4.7890 4.7890 4.9291 4.9291 5.1040 5.1040 5.7262 5.7262 5.9354 5.9354 6.0037 6.0037 6.0082 6.0082 6.2040 6.2040 6.3260 6.3260 7.5364 7.5364 7.8950 7.8950 8.0014 8.0014 8.3829 8.3829 8.7451 8.7451 10.3554 10.3554 10.6333 10.6333 11.3469 11.3469 11.5449 11.5449 11.9755 11.9755 k = 0.1591 0.0919-0.0000 ( 4253 PWs) bands (ev): -31.9882 -31.9882 -31.9830 -31.9830 -13.2886 -13.2886 -13.2557 -13.2557 -12.9363 -12.9363 -12.8833 -12.8833 -12.8744 -12.8744 -12.8681 -12.8681 -2.5108 -2.5108 -2.0055 -2.0055 4.6239 4.6239 4.6876 4.6876 4.7547 4.7547 4.9424 4.9424 5.1154 5.1154 5.7263 5.7263 5.9287 5.9287 6.0053 6.0053 6.0103 6.0103 6.2112 6.2112 6.3277 6.3277 7.4291 7.4291 7.8384 7.8384 7.9440 7.9440 8.3455 8.3455 8.6595 8.6595 10.3330 10.3330 10.6616 10.6616 11.2791 11.2791 11.6645 11.6645 12.0670 12.0670 k = 0.1705 0.0984-0.0000 ( 4251 PWs) bands (ev): -31.9881 -31.9881 -31.9829 -31.9829 -13.2888 -13.2888 -13.2565 -13.2565 -12.9366 -12.9366 -12.8848 -12.8848 -12.8746 -12.8746 -12.8694 -12.8694 -2.4835 -2.4835 -1.9921 -1.9921 4.6319 4.6319 4.6822 4.6822 4.7184 4.7184 4.9569 4.9569 5.1278 5.1278 5.7255 5.7255 5.9225 5.9225 6.0068 6.0068 6.0126 6.0126 6.2187 6.2187 6.3306 6.3306 7.3242 7.3242 7.7360 7.7360 7.9358 7.9358 8.3063 8.3063 8.5742 8.5742 10.3078 10.3078 10.6910 10.6910 11.2099 11.2099 11.7773 11.7773 12.1120 12.1199 k = 0.1818 0.1050-0.0000 ( 4243 PWs) bands (ev): -31.9879 -31.9879 -31.9828 -31.9828 -13.2891 -13.2891 -13.2574 -13.2574 -12.9368 -12.9368 -12.8864 -12.8864 -12.8747 -12.8747 -12.8705 -12.8705 -2.4548 -2.4548 -1.9779 -1.9779 4.6193 4.6193 4.6784 4.6784 4.6978 4.6978 4.9726 4.9726 5.1411 5.1411 5.7237 5.7237 5.9167 5.9167 6.0080 6.0080 6.0151 6.0151 6.2262 6.2262 6.3352 6.3352 7.2225 7.2225 7.6280 7.6280 7.9365 7.9365 8.2656 8.2656 8.4896 8.4896 10.2801 10.2801 10.7215 10.7215 11.1400 11.1400 11.8813 11.8813 12.1458 12.1458 k = 0.1932 0.1115-0.0000 ( 4245 PWs) bands (ev): -31.9878 -31.9878 -31.9826 -31.9826 -13.2894 -13.2894 -13.2583 -13.2583 -12.9371 -12.9371 -12.8881 -12.8881 -12.8749 -12.8749 -12.8718 -12.8718 -2.4247 -2.4247 -1.9631 -1.9631 4.5938 4.5938 4.6417 4.6417 4.7196 4.7196 4.9894 4.9894 5.1553 5.1553 5.7204 5.7204 5.9116 5.9116 6.0090 6.0090 6.0178 6.0178 6.2332 6.2332 6.3420 6.3420 7.1243 7.1243 7.5212 7.5212 7.9389 7.9389 8.2234 8.2234 8.4060 8.4060 10.2503 10.2503 10.7533 10.7533 11.0697 11.0697 11.9749 11.9749 12.1813 12.1813 k = 0.2045 0.1181-0.0000 ( 4249 PWs) bands (ev): -31.9877 -31.9877 -31.9825 -31.9825 -13.2897 -13.2897 -13.2593 -13.2593 -12.9373 -12.9373 -12.8899 -12.8899 -12.8750 -12.8750 -12.8730 -12.8730 -2.3934 -2.3934 -1.9478 -1.9478 4.5589 4.5589 4.6074 4.6074 4.7452 4.7452 5.0071 5.0071 5.1704 5.1704 5.7158 5.7158 5.9075 5.9075 6.0097 6.0097 6.0206 6.0206 6.2392 6.2392 6.3516 6.3516 7.0301 7.0301 7.4169 7.4169 7.9417 7.9417 8.1800 8.1800 8.3235 8.3235 10.2187 10.2187 10.7864 10.7864 10.9993 10.9993 12.0571 12.0571 12.2184 12.2184 k = 0.2159 0.1247-0.0000 ( 4245 PWs) bands (ev): -31.9875 -31.9875 -31.9823 -31.9823 -13.2901 -13.2901 -13.2603 -13.2603 -12.9376 -12.9376 -12.8917 -12.8917 -12.8752 -12.8752 -12.8743 -12.8743 -2.3610 -2.3610 -1.9320 -1.9320 4.5156 4.5156 4.5769 4.5769 4.7721 4.7721 5.0257 5.0257 5.1862 5.1862 5.7097 5.7097 5.9044 5.9044 6.0100 6.0100 6.0236 6.0236 6.2438 6.2438 6.3646 6.3646 6.9404 6.9404 7.3156 7.3156 7.9439 7.9439 8.1356 8.1356 8.2429 8.2429 10.1857 10.1857 10.8206 10.8206 10.9292 10.9292 12.1283 12.1283 12.2569 12.2569 k = 0.2273 0.1312-0.0000 ( 4239 PWs) bands (ev): -31.9873 -31.9873 -31.9822 -31.9822 -13.2904 -13.2904 -13.2613 -13.2613 -12.9379 -12.9379 -12.8935 -12.8935 -12.8757 -12.8757 -12.8751 -12.8751 -2.3276 -2.3276 -1.9157 -1.9157 4.4664 4.4664 4.5485 4.5485 4.7997 4.7997 5.0453 5.0453 5.2027 5.2027 5.7022 5.7022 5.9024 5.9024 6.0101 6.0101 6.0269 6.0269 6.2470 6.2470 6.3811 6.3811 6.8555 6.8555 7.2174 7.2174 7.9446 7.9446 8.0903 8.0903 8.1647 8.1647 10.1515 10.1515 10.8556 10.8556 10.8599 10.8599 12.1895 12.1895 12.2966 12.2966 k = 0.2386 0.1378-0.0000 ( 4235 PWs) bands (ev): -31.9872 -31.9872 -31.9821 -31.9821 -13.2907 -13.2907 -13.2623 -13.2623 -12.9382 -12.9382 -12.8954 -12.8954 -12.8769 -12.8769 -12.8752 -12.8752 -2.2933 -2.2933 -1.8991 -1.8991 4.4133 4.4133 4.5207 4.5207 4.8276 4.8276 5.0656 5.0656 5.2199 5.2199 5.6932 5.6932 5.9015 5.9015 6.0098 6.0098 6.0303 6.0303 6.2486 6.2486 6.4008 6.4008 6.7757 6.7757 7.1224 7.1224 7.9416 7.9416 8.0445 8.0445 8.0912 8.0912 10.1165 10.1165 10.7904 10.7904 10.8926 10.8926 12.2428 12.2428 12.3372 12.3372 k = 0.2500 0.1443-0.0000 ( 4231 PWs) bands (ev): -31.9870 -31.9870 -31.9819 -31.9819 -13.2911 -13.2911 -13.2634 -13.2634 -12.9385 -12.9385 -12.8973 -12.8973 -12.8781 -12.8781 -12.8754 -12.8754 -2.2582 -2.2582 -1.8822 -1.8822 4.3574 4.3574 4.4930 4.4930 4.8556 4.8556 5.0868 5.0868 5.2376 5.2376 5.6829 5.6829 5.9015 5.9015 6.0091 6.0091 6.0340 6.0340 6.2491 6.2491 6.4234 6.4234 6.7016 6.7016 7.0307 7.0307 7.9276 7.9276 7.9984 7.9984 8.0295 8.0295 10.0812 10.0812 10.7223 10.7223 10.9300 10.9300 12.2904 12.2904 12.3786 12.3786 k = 0.2614 0.1509-0.0000 ( 4239 PWs) bands (ev): -31.9869 -31.9869 -31.9818 -31.9818 -13.2915 -13.2915 -13.2644 -13.2644 -12.9388 -12.9388 -12.8991 -12.8991 -12.8793 -12.8793 -12.8755 -12.8755 -2.2226 -2.2226 -1.8651 -1.8651 4.2991 4.2991 4.4652 4.4652 4.8835 4.8835 5.1086 5.1086 5.2558 5.2558 5.6715 5.6715 5.9022 5.9022 6.0082 6.0082 6.0377 6.0377 6.2485 6.2485 6.4477 6.4477 6.6339 6.6339 6.9424 6.9424 7.8878 7.8878 7.9516 7.9516 7.9950 7.9950 10.0457 10.0457 10.6552 10.6552 10.9683 10.9683 12.3342 12.3342 12.4203 12.4203 k = 0.2727 0.1575-0.0000 ( 4237 PWs) bands (ev): -31.9867 -31.9867 -31.9816 -31.9816 -13.2919 -13.2919 -13.2655 -13.2655 -12.9392 -12.9392 -12.9009 -12.9009 -12.8806 -12.8806 -12.8755 -12.8755 -2.1865 -2.1865 -1.8479 -1.8479 4.2390 4.2390 4.4373 4.4373 4.9111 4.9111 5.1310 5.1310 5.2744 5.2744 5.6592 5.6592 5.9037 5.9037 6.0070 6.0070 6.0416 6.0416 6.2471 6.2471 6.4702 6.4702 6.5762 6.5762 6.8577 6.8577 7.8264 7.8264 7.9047 7.9047 7.9830 7.9830 10.0105 10.0105 10.5892 10.5892 11.0073 11.0073 12.3760 12.3760 12.4618 12.4618 k = 0.2841 0.1640-0.0000 ( 4237 PWs) bands (ev): -31.9866 -31.9866 -31.9815 -31.9815 -13.2923 -13.2923 -13.2665 -13.2665 -12.9395 -12.9395 -12.9027 -12.9027 -12.8817 -12.8817 -12.8756 -12.8756 -2.1502 -2.1502 -1.8306 -1.8306 4.1775 4.1775 4.4096 4.4096 4.9384 4.9384 5.1540 5.1540 5.2933 5.2933 5.6461 5.6461 5.9056 5.9056 6.0055 6.0055 6.0456 6.0456 6.2452 6.2452 6.4709 6.4709 6.5480 6.5480 6.7767 6.7767 7.7585 7.7585 7.8581 7.8581 7.9781 7.9781 9.9757 9.9757 10.5245 10.5245 11.0468 11.0468 12.4170 12.4170 12.5028 12.5028 k = 0.2955 0.1706-0.0000 ( 4245 PWs) bands (ev): -31.9864 -31.9864 -31.9813 -31.9813 -13.2927 -13.2927 -13.2676 -13.2676 -12.9399 -12.9399 -12.9045 -12.9045 -12.8829 -12.8829 -12.8757 -12.8757 -2.1137 -2.1137 -1.8135 -1.8135 4.1151 4.1151 4.3819 4.3819 4.9650 4.9650 5.1775 5.1775 5.3123 5.3123 5.6324 5.6324 5.9080 5.9080 6.0037 6.0037 6.0496 6.0496 6.2427 6.2427 6.4333 6.4333 6.5650 6.5650 6.7001 6.7001 7.6899 7.6899 7.8119 7.8119 7.9748 7.9748 9.9417 9.9417 10.4612 10.4612 11.0868 11.0868 12.4581 12.4581 12.5427 12.5427 k = 0.3068 0.1771-0.0000 ( 4245 PWs) bands (ev): -31.9863 -31.9863 -31.9812 -31.9812 -13.2931 -13.2931 -13.2686 -13.2686 -12.9402 -12.9402 -12.9062 -12.9062 -12.8840 -12.8840 -12.8758 -12.8758 -2.0774 -2.0774 -1.7964 -1.7964 4.0523 4.0523 4.3546 4.3546 4.9911 4.9911 5.2014 5.2014 5.3316 5.3316 5.6183 5.6183 5.9106 5.9106 6.0018 6.0018 6.0537 6.0537 6.2399 6.2399 6.3874 6.3874 6.5909 6.5909 6.6340 6.6340 7.6221 7.6221 7.7662 7.7662 7.9713 7.9713 9.9087 9.9087 10.3994 10.3994 11.1269 11.1269 12.4998 12.4998 12.5808 12.5808 k = 0.3182 0.1837-0.0000 ( 4241 PWs) bands (ev): -31.9861 -31.9861 -31.9811 -31.9811 -13.2935 -13.2935 -13.2696 -13.2696 -12.9406 -12.9406 -12.9078 -12.9078 -12.8851 -12.8851 -12.8759 -12.8759 -2.0414 -2.0414 -1.7796 -1.7796 3.9895 3.9895 4.3278 4.3278 5.0164 5.0164 5.2256 5.2256 5.3509 5.3509 5.6039 5.6039 5.9134 5.9134 5.9996 5.9996 6.0577 6.0577 6.2367 6.2367 6.3434 6.3434 6.5499 6.5499 6.6438 6.6438 7.5560 7.5560 7.7214 7.7214 7.9668 7.9668 9.8768 9.8768 10.3392 10.3392 11.1671 11.1671 12.5423 12.5423 12.6165 12.6165 k = 0.3295 0.1903-0.0000 ( 4239 PWs) bands (ev): -31.9860 -31.9860 -31.9810 -31.9810 -13.2939 -13.2939 -13.2706 -13.2706 -12.9409 -12.9409 -12.9094 -12.9094 -12.8861 -12.8861 -12.8759 -12.8759 -2.0059 -2.0059 -1.7632 -1.7632 3.9273 3.9273 4.3015 4.3015 5.0408 5.0408 5.2500 5.2500 5.3700 5.3700 5.5894 5.5894 5.9163 5.9163 5.9973 5.9973 6.0615 6.0615 6.2332 6.2332 6.3028 6.3028 6.4862 6.4862 6.6837 6.6837 7.4919 7.4919 7.6776 7.6776 7.9611 7.9611 9.8463 9.8463 10.2808 10.2808 11.2070 11.2070 12.5858 12.5858 12.6492 12.6492 k = 0.3409 0.1968-0.0000 ( 4237 PWs) bands (ev): -31.9858 -31.9858 -31.9808 -31.9808 -13.2943 -13.2943 -13.2715 -13.2715 -12.9413 -12.9413 -12.9109 -12.9109 -12.8870 -12.8870 -12.8760 -12.8760 -1.9711 -1.9711 -1.7472 -1.7472 3.8661 3.8661 4.2760 4.2760 5.0643 5.0643 5.2745 5.2745 5.3888 5.3888 5.5747 5.5747 5.9193 5.9193 5.9948 5.9948 6.0649 6.0649 6.2295 6.2295 6.2661 6.2661 6.4255 6.4255 6.7274 6.7274 7.4300 7.4300 7.6349 7.6349 7.9538 7.9538 9.8173 9.8173 10.2244 10.2244 11.2466 11.2466 12.6300 12.6300 12.6782 12.6782 k = 0.3523 0.2034-0.0000 ( 4235 PWs) bands (ev): -31.9857 -31.9857 -31.9807 -31.9807 -13.2946 -13.2946 -13.2724 -13.2724 -12.9416 -12.9416 -12.9124 -12.9124 -12.8878 -12.8878 -12.8760 -12.8760 -1.9373 -1.9373 -1.7318 -1.7318 3.8064 3.8064 4.2515 4.2515 5.0869 5.0869 5.2989 5.2989 5.4072 5.4072 5.5602 5.5602 5.9222 5.9222 5.9922 5.9922 6.0679 6.0679 6.2243 6.2243 6.2342 6.2342 6.3692 6.3692 6.7733 6.7733 7.3707 7.3707 7.5938 7.5938 7.9447 7.9447 9.7899 9.7899 10.1700 10.1700 11.2854 11.2854 12.6745 12.6745 12.7035 12.7035 k = 0.3636 0.2099-0.0000 ( 4231 PWs) bands (ev): -31.9856 -31.9856 -31.9806 -31.9806 -13.2950 -13.2950 -13.2733 -13.2733 -12.9419 -12.9419 -12.9138 -12.9138 -12.8887 -12.8887 -12.8761 -12.8761 -1.9046 -1.9046 -1.7170 -1.7170 3.7488 3.7488 4.2281 4.2281 5.1085 5.1085 5.3230 5.3230 5.4250 5.4250 5.5459 5.5459 5.9251 5.9251 5.9893 5.9893 6.0699 6.0699 6.2020 6.2020 6.2227 6.2227 6.3182 6.3182 6.8208 6.8208 7.3140 7.3140 7.5542 7.5542 7.9338 7.9338 9.7642 9.7642 10.1181 10.1181 11.3233 11.3233 12.7173 12.7173 12.7265 12.7265 k = 0.3750 0.2165-0.0000 ( 4243 PWs) bands (ev): -31.9855 -31.9855 -31.9805 -31.9805 -13.2954 -13.2954 -13.2742 -13.2742 -12.9423 -12.9423 -12.9151 -12.9151 -12.8894 -12.8894 -12.8762 -12.8762 -1.8734 -1.8734 -1.7030 -1.7030 3.6938 3.6938 4.2058 4.2058 5.1291 5.1291 5.3466 5.3466 5.4419 5.4419 5.5319 5.5319 5.9278 5.9278 5.9864 5.9864 6.0705 6.0705 6.1758 6.1758 6.2179 6.2179 6.2731 6.2731 6.8696 6.8696 7.2604 7.2604 7.5166 7.5166 7.9209 7.9209 9.7403 9.7403 10.0687 10.0687 11.3600 11.3600 12.7405 12.7405 12.7643 12.7643 k = 0.3864 0.2231-0.0000 ( 4239 PWs) bands (ev): -31.9854 -31.9854 -31.9804 -31.9804 -13.2957 -13.2957 -13.2749 -13.2749 -12.9425 -12.9425 -12.9163 -12.9163 -12.8901 -12.8901 -12.8762 -12.8762 -1.8438 -1.8438 -1.6898 -1.6898 3.6417 3.6417 4.1849 4.1849 5.1486 5.1486 5.3695 5.3695 5.4577 5.4577 5.5185 5.5185 5.9304 5.9304 5.9833 5.9833 6.0689 6.0689 6.1524 6.1524 6.2122 6.2122 6.2362 6.2362 6.9191 6.9191 7.2099 7.2099 7.4811 7.4811 7.9059 7.9059 9.7184 9.7184 10.0221 10.0221 11.3952 11.3952 12.7548 12.7548 12.8055 12.8055 k = 0.3977 0.2296-0.0000 ( 4234 PWs) bands (ev): -31.9853 -31.9853 -31.9803 -31.9803 -13.2959 -13.2959 -13.2757 -13.2757 -12.9428 -12.9428 -12.9174 -12.9174 -12.8907 -12.8907 -12.8762 -12.8762 -1.8162 -1.8162 -1.6775 -1.6775 3.5931 3.5931 4.1656 4.1656 5.1671 5.1671 5.3914 5.3914 5.4719 5.4719 5.5062 5.5062 5.9329 5.9329 5.9802 5.9802 6.0637 6.0637 6.1317 6.1317 6.1985 6.1985 6.2153 6.2153 6.9690 6.9690 7.1631 7.1631 7.4481 7.4481 7.8890 7.8890 9.6983 9.6983 9.9788 9.9788 11.4286 11.4286 12.7659 12.7659 12.8434 12.8434 k = 0.4091 0.2362-0.0000 ( 4238 PWs) bands (ev): -31.9852 -31.9852 -31.9802 -31.9802 -13.2962 -13.2962 -13.2763 -13.2763 -12.9431 -12.9431 -12.9184 -12.9184 -12.8913 -12.8913 -12.8763 -12.8763 -1.7906 -1.7906 -1.6663 -1.6663 3.5483 3.5483 4.1479 4.1479 5.1844 5.1844 5.4117 5.4117 5.4818 5.4818 5.4978 5.4978 5.9351 5.9351 5.9769 5.9769 6.0539 6.0539 6.1140 6.1140 6.1795 6.1795 6.2086 6.2086 7.0184 7.0184 7.1200 7.1200 7.4176 7.4176 7.8701 7.8701 9.6803 9.6803 9.9388 9.9388 11.4597 11.4597 12.7745 12.7745 12.8761 12.8761 k = 0.4205 0.2427-0.0000 ( 4238 PWs) bands (ev): -31.9851 -31.9851 -31.9801 -31.9801 -13.2965 -13.2965 -13.2769 -13.2769 -12.9433 -12.9433 -12.9193 -12.9193 -12.8917 -12.8917 -12.8763 -12.8763 -1.7675 -1.7675 -1.6562 -1.6562 3.5078 3.5078 4.1320 4.1320 5.2005 5.2005 5.4293 5.4293 5.4793 5.4793 5.5022 5.5022 5.9371 5.9371 5.9735 5.9735 6.0397 6.0397 6.0996 6.0996 6.1669 6.1669 6.2039 6.2039 7.0642 7.0642 7.0838 7.0838 7.3901 7.3901 7.8496 7.8496 9.6643 9.6643 9.9026 9.9026 11.4884 11.4884 12.7811 12.7811 12.9016 12.9031 k = 0.4318 0.2493-0.0000 ( 4228 PWs) bands (ev): -31.9850 -31.9850 -31.9801 -31.9801 -13.2967 -13.2967 -13.2774 -13.2774 -12.9435 -12.9435 -12.9200 -12.9200 -12.8921 -12.8921 -12.8764 -12.8764 -1.7469 -1.7469 -1.6473 -1.6473 3.4719 3.4719 4.1179 4.1179 5.2154 5.2154 5.4409 5.4409 5.4757 5.4757 5.5113 5.5113 5.9389 5.9389 5.9700 5.9700 6.0234 6.0234 6.0882 6.0882 6.1603 6.1603 6.1997 6.1997 7.0445 7.0445 7.1158 7.1158 7.3657 7.3657 7.8278 7.8278 9.6504 9.6504 9.8705 9.8705 11.5142 11.5142 12.7861 12.7861 12.9184 12.9192 k = 0.4432 0.2559-0.0000 ( 4232 PWs) bands (ev): -31.9850 -31.9850 -31.9800 -31.9800 -13.2969 -13.2969 -13.2778 -13.2778 -12.9437 -12.9437 -12.9207 -12.9207 -12.8925 -12.8925 -12.8764 -12.8764 -1.7291 -1.7291 -1.6397 -1.6397 3.4410 3.4410 4.1058 4.1058 5.2289 5.2289 5.4415 5.4415 5.4811 5.4811 5.5194 5.5194 5.9403 5.9403 5.9662 5.9662 6.0078 6.0078 6.0790 6.0790 6.1577 6.1577 6.1956 6.1956 7.0147 7.0147 7.1599 7.1599 7.3447 7.3447 7.8053 7.8053 9.6386 9.6386 9.8428 9.8428 11.5368 11.5368 12.7899 12.7899 12.9272 12.9284 k = 0.4545 0.2624-0.0000 ( 4240 PWs) bands (ev): -31.9849 -31.9849 -31.9800 -31.9800 -13.2971 -13.2971 -13.2782 -13.2782 -12.9439 -12.9439 -12.9212 -12.9212 -12.8929 -12.8929 -12.8764 -12.8764 -1.7142 -1.7142 -1.6333 -1.6333 3.4153 3.4153 4.0958 4.0958 5.2407 5.2407 5.4357 5.4357 5.4919 5.4919 5.5257 5.5257 5.9414 5.9414 5.9619 5.9619 5.9949 5.9949 6.0718 6.0718 6.1574 6.1574 6.1918 6.1918 6.9895 6.9895 7.2003 7.2003 7.3275 7.3275 7.7830 7.7830 9.6288 9.6288 9.8196 9.8196 11.5559 11.5559 12.7927 12.7927 12.9356 12.9358 k = 0.4659 0.2690-0.0000 ( 4244 PWs) bands (ev): -31.9849 -31.9849 -31.9799 -31.9799 -13.2972 -13.2972 -13.2785 -13.2785 -12.9440 -12.9440 -12.9217 -12.9217 -12.8931 -12.8931 -12.8764 -12.8764 -1.7025 -1.7025 -1.6284 -1.6284 3.3950 3.3950 4.0880 4.0880 5.2507 5.2507 5.4288 5.4288 5.5026 5.5026 5.5302 5.5302 5.9421 5.9421 5.9570 5.9570 5.9860 5.9860 6.0663 6.0663 6.1584 6.1584 6.1883 6.1883 6.9695 6.9695 7.2348 7.2348 7.3143 7.3143 7.7624 7.7624 9.6213 9.6213 9.8014 9.8014 11.5711 11.5711 12.7946 12.7946 12.9380 12.9437 k = 0.4773 0.2756-0.0000 ( 4228 PWs) bands (ev): -31.9849 -31.9849 -31.9799 -31.9799 -13.2973 -13.2973 -13.2787 -13.2787 -12.9441 -12.9441 -12.9219 -12.9219 -12.8932 -12.8932 -12.8764 -12.8764 -1.6940 -1.6940 -1.6248 -1.6248 3.3804 3.3804 4.0823 4.0823 5.2583 5.2583 5.4230 5.4230 5.5116 5.5116 5.5329 5.5329 5.9424 5.9424 5.9525 5.9525 5.9807 5.9807 6.0626 6.0626 6.1599 6.1599 6.1853 6.1853 6.9551 6.9551 7.2608 7.2608 7.3061 7.3061 7.7454 7.7454 9.6159 9.6159 9.7882 9.7882 11.5821 11.5821 12.7960 12.7960 12.9380 12.9411 k = 0.4886 0.2821-0.0000 ( 4232 PWs) bands (ev): -31.9849 -31.9849 -31.9799 -31.9799 -13.2973 -13.2973 -13.2788 -13.2788 -12.9441 -12.9441 -12.9221 -12.9221 -12.8933 -12.8933 -12.8764 -12.8764 -1.6889 -1.6889 -1.6227 -1.6227 3.3716 3.3716 4.0789 4.0789 5.2630 5.2630 5.4191 5.4191 5.5178 5.5178 5.5338 5.5338 5.9421 5.9421 5.9496 5.9496 5.9780 5.9780 6.0603 6.0603 6.1612 6.1612 6.1832 6.1832 6.9463 6.9463 7.2750 7.2750 7.3038 7.3038 7.7338 7.7338 9.6126 9.6126 9.7803 9.7803 11.5888 11.5888 12.7967 12.7967 12.9376 12.9507 k = 0.5000 0.2887-0.0000 ( 4234 PWs) bands (ev): -31.9848 -31.9848 -31.9799 -31.9799 -13.2974 -13.2974 -13.2788 -13.2788 -12.9442 -12.9442 -12.9222 -12.9222 -12.8934 -12.8934 -12.8764 -12.8764 -1.6872 -1.6872 -1.6220 -1.6220 3.3687 3.3687 4.0778 4.0778 5.2647 5.2647 5.4178 5.4178 5.5200 5.5200 5.5339 5.5339 5.9418 5.9418 5.9486 5.9486 5.9772 5.9772 6.0596 6.0596 6.1617 6.1617 6.1824 6.1824 6.9434 6.9434 7.2785 7.2785 7.3045 7.3045 7.7297 7.7297 9.6115 9.6115 9.7776 9.7776 11.5911 11.5911 12.7970 12.7970 12.9374 12.9374 k = 0.5000 0.2887-0.0000 ( 4234 PWs) bands (ev): -31.9848 -31.9848 -31.9799 -31.9799 -13.2974 -13.2974 -13.2788 -13.2788 -12.9442 -12.9442 -12.9222 -12.9222 -12.8934 -12.8934 -12.8764 -12.8764 -1.6872 -1.6872 -1.6220 -1.6220 3.3687 3.3687 4.0778 4.0778 5.2647 5.2647 5.4178 5.4178 5.5200 5.5200 5.5339 5.5339 5.9418 5.9418 5.9486 5.9486 5.9772 5.9772 6.0596 6.0596 6.1617 6.1617 6.1824 6.1824 6.9434 6.9434 7.2785 7.2785 7.3045 7.3045 7.7297 7.7297 9.6115 9.6115 9.7776 9.7776 11.5911 11.5911 12.7970 12.7970 12.9374 12.9374 k = 0.4936 0.2998-0.0000 ( 4234 PWs) bands (ev): -31.9848 -31.9848 -31.9799 -31.9799 -13.2974 -13.2974 -13.2789 -13.2789 -12.9441 -12.9441 -12.9222 -12.9222 -12.8934 -12.8934 -12.8764 -12.8764 -1.6867 -1.6867 -1.6217 -1.6217 3.3700 3.3700 4.0777 4.0777 5.2651 5.2651 5.4176 5.4176 5.5193 5.5193 5.5343 5.5343 5.9392 5.9392 5.9501 5.9501 5.9771 5.9771 6.0593 6.0593 6.1615 6.1615 6.1825 6.1825 6.9406 6.9406 7.2748 7.2748 7.3005 7.3005 7.7299 7.7299 9.6219 9.6219 9.7794 9.7794 11.5949 11.5949 12.7474 12.7474 12.9397 12.9397 k = 0.4872 0.3109-0.0000 ( 4228 PWs) bands (ev): -31.9848 -31.9848 -31.9799 -31.9799 -13.2973 -13.2973 -13.2789 -13.2789 -12.9441 -12.9441 -12.9222 -12.9222 -12.8935 -12.8935 -12.8765 -12.8765 -1.6855 -1.6855 -1.6210 -1.6210 3.3741 3.3741 4.0775 4.0775 5.2664 5.2664 5.4170 5.4170 5.5171 5.5171 5.5355 5.5355 5.9340 5.9340 5.9520 5.9520 5.9770 5.9770 6.0587 6.0587 6.1609 6.1609 6.1827 6.1827 6.9324 6.9324 7.2569 7.2569 7.2957 7.2957 7.7305 7.7305 9.6524 9.6524 9.7847 9.7847 11.6063 11.6063 12.6575 12.6575 12.9471 12.9471 k = 0.4808 0.3220-0.0000 ( 4242 PWs) bands (ev): -31.9848 -31.9848 -31.9799 -31.9799 -13.2974 -13.2974 -13.2789 -13.2789 -12.9440 -12.9440 -12.9222 -12.9222 -12.8938 -12.8938 -12.8767 -12.8767 -1.6834 -1.6834 -1.6199 -1.6199 3.3808 3.3808 4.0771 4.0771 5.2685 5.2685 5.4161 5.4161 5.5134 5.5134 5.5374 5.5374 5.9275 5.9275 5.9521 5.9521 5.9774 5.9774 6.0574 6.0574 6.1598 6.1598 6.1829 6.1829 6.9189 6.9189 7.2210 7.2210 7.2958 7.2958 7.7314 7.7314 9.7013 9.7013 9.7938 9.7938 11.6248 11.6248 12.5602 12.5602 12.9594 12.9594 k = 0.4744 0.3331-0.0000 ( 4238 PWs) bands (ev): -31.9848 -31.9848 -31.9799 -31.9799 -13.2974 -13.2974 -13.2789 -13.2789 -12.9439 -12.9439 -12.9222 -12.9222 -12.8940 -12.8940 -12.8769 -12.8769 -1.6805 -1.6805 -1.6183 -1.6183 3.3902 3.3902 4.0765 4.0765 5.2714 5.2714 5.4148 5.4148 5.5081 5.5081 5.5401 5.5401 5.9198 5.9198 5.9503 5.9503 5.9786 5.9786 6.0558 6.0558 6.1584 6.1584 6.1833 6.1833 6.9004 6.9004 7.1716 7.1716 7.2985 7.2985 7.7326 7.7326 9.7649 9.7649 9.8082 9.8082 11.6499 11.6499 12.4612 12.4612 12.9764 12.9764 k = 0.4679 0.3442-0.0000 ( 4234 PWs) bands (ev): -31.9848 -31.9848 -31.9799 -31.9799 -13.2974 -13.2974 -13.2790 -13.2790 -12.9437 -12.9437 -12.9222 -12.9222 -12.8943 -12.8943 -12.8771 -12.8771 -1.6768 -1.6768 -1.6163 -1.6163 3.4023 3.4023 4.0757 4.0757 5.2751 5.2751 5.4133 5.4133 5.5009 5.5009 5.5434 5.5434 5.9109 5.9109 5.9465 5.9465 5.9805 5.9805 6.0538 6.0538 6.1567 6.1567 6.1838 6.1838 6.8771 6.8771 7.1127 7.1127 7.3028 7.3028 7.7341 7.7341 9.8146 9.8146 9.8535 9.8535 11.6808 11.6808 12.3622 12.3622 12.9979 12.9979 k = 0.4615 0.3553-0.0000 ( 4234 PWs) bands (ev): -31.9848 -31.9848 -31.9798 -31.9798 -13.2974 -13.2974 -13.2790 -13.2790 -12.9435 -12.9435 -12.9222 -12.9222 -12.8948 -12.8948 -12.8775 -12.8775 -1.6724 -1.6724 -1.6139 -1.6139 3.4169 3.4169 4.0747 4.0747 5.2794 5.2794 5.4115 5.4115 5.4915 5.4915 5.5474 5.5474 5.9007 5.9007 5.9414 5.9414 5.9828 5.9828 6.0513 6.0513 6.1547 6.1547 6.1843 6.1843 6.8495 6.8495 7.0477 7.0477 7.3083 7.3083 7.7358 7.7358 9.8364 9.8364 9.9415 9.9415 11.7165 11.7165 12.2639 12.2639 13.0232 13.0232 k = 0.4551 0.3664-0.0000 ( 4226 PWs) bands (ev): -31.9848 -31.9848 -31.9798 -31.9798 -13.2974 -13.2974 -13.2791 -13.2791 -12.9433 -12.9433 -12.9221 -12.9221 -12.8952 -12.8952 -12.8778 -12.8778 -1.6672 -1.6672 -1.6111 -1.6111 3.4341 3.4341 4.0734 4.0734 5.2844 5.2844 5.4095 5.4095 5.4794 5.4794 5.5520 5.5520 5.8892 5.8892 5.9354 5.9354 5.9853 5.9853 6.0485 6.0485 6.1525 6.1525 6.1848 6.1848 6.8176 6.8176 6.9796 6.9796 7.3150 7.3150 7.7376 7.7376 9.8588 9.8588 10.0408 10.0408 11.7559 11.7559 12.1669 12.1669 13.0515 13.0515 k = 0.4487 0.3775-0.0000 ( 4226 PWs) bands (ev): -31.9847 -31.9847 -31.9798 -31.9798 -13.2974 -13.2974 -13.2792 -13.2792 -12.9430 -12.9430 -12.9221 -12.9221 -12.8957 -12.8957 -12.8782 -12.8782 -1.6615 -1.6615 -1.6080 -1.6080 3.4539 3.4539 4.0719 4.0719 5.2899 5.2899 5.4074 5.4074 5.4641 5.4641 5.5573 5.5573 5.8764 5.8764 5.9287 5.9287 5.9875 5.9875 6.0454 6.0454 6.1501 6.1501 6.1853 6.1853 6.7814 6.7814 6.9115 6.9115 7.3227 7.3227 7.7396 7.7396 9.8840 9.8840 10.1473 10.1473 11.7975 11.7975 12.0712 12.0712 13.0797 13.0797 k = 0.4423 0.3886-0.0000 ( 4222 PWs) bands (ev): -31.9847 -31.9847 -31.9798 -31.9798 -13.2975 -13.2975 -13.2792 -13.2792 -12.9427 -12.9427 -12.9221 -12.9221 -12.8963 -12.8963 -12.8786 -12.8786 -1.6551 -1.6551 -1.6045 -1.6045 3.4761 3.4761 4.0700 4.0700 5.2958 5.2958 5.4052 5.4052 5.4449 5.4449 5.5633 5.5633 5.8625 5.8625 5.9217 5.9217 5.9893 5.9893 6.0420 6.0420 6.1477 6.1477 6.1857 6.1857 6.7406 6.7406 6.8465 6.8465 7.3316 7.3316 7.7415 7.7415 9.9121 9.9121 10.2589 10.2589 11.8397 11.8397 11.9774 11.9774 13.0961 13.0965 k = 0.4359 0.3997-0.0000 ( 4222 PWs) bands (ev): -31.9847 -31.9847 -31.9797 -31.9797 -13.2975 -13.2975 -13.2793 -13.2793 -12.9424 -12.9424 -12.9221 -12.9221 -12.8970 -12.8970 -12.8790 -12.8790 -1.6482 -1.6482 -1.6008 -1.6008 3.5006 3.5006 4.0678 4.0678 5.3019 5.3019 5.4029 5.4029 5.4213 5.4213 5.5699 5.5699 5.8481 5.8481 5.9145 5.9145 5.9905 5.9905 6.0387 6.0387 6.1453 6.1453 6.1859 6.1859 6.6947 6.6947 6.7875 6.7875 7.3415 7.3415 7.7433 7.7433 9.9430 9.9430 10.3739 10.3739 11.8731 11.8731 11.8935 11.8935 13.0821 13.0826 k = 0.4295 0.4108-0.0000 ( 4230 PWs) bands (ev): -31.9847 -31.9847 -31.9797 -31.9797 -13.2976 -13.2976 -13.2794 -13.2794 -12.9421 -12.9421 -12.9221 -12.9221 -12.8976 -12.8976 -12.8795 -12.8795 -1.6408 -1.6408 -1.5968 -1.5968 3.5275 3.5275 4.0652 4.0652 5.3079 5.3079 5.3911 5.3911 5.4022 5.4022 5.5772 5.5772 5.8336 5.8336 5.9071 5.9071 5.9907 5.9907 6.0354 6.0354 6.1428 6.1428 6.1860 6.1860 6.6443 6.6443 6.7357 6.7357 7.3525 7.3525 7.7448 7.7448 9.9767 9.9767 10.4909 10.4909 11.7927 11.7927 11.9231 11.9231 13.0507 13.0508 k = 0.4231 0.4219-0.0000 ( 4234 PWs) bands (ev): -31.9846 -31.9846 -31.9797 -31.9797 -13.2976 -13.2976 -13.2795 -13.2795 -12.9418 -12.9418 -12.9222 -12.9222 -12.8983 -12.8983 -12.8800 -12.8800 -1.6331 -1.6331 -1.5927 -1.5927 3.5564 3.5564 4.0622 4.0622 5.3127 5.3127 5.3583 5.3583 5.3999 5.3999 5.5850 5.5850 5.8197 5.8197 5.8996 5.8996 5.9899 5.9899 6.0325 6.0325 6.1404 6.1404 6.1860 6.1860 6.5922 6.5922 6.6902 6.6902 7.3645 7.3645 7.7460 7.7460 10.0131 10.0131 10.6089 10.6089 11.7042 11.7042 11.9589 11.9589 13.0112 13.0112 k = 0.4167 0.4330-0.0000 ( 4226 PWs) bands (ev): -31.9846 -31.9846 -31.9797 -31.9797 -13.2976 -13.2976 -13.2796 -13.2796 -12.9414 -12.9414 -12.9222 -12.9222 -12.8990 -12.8990 -12.8805 -12.8805 -1.6250 -1.6250 -1.5884 -1.5884 3.5874 3.5874 4.0588 4.0588 5.3049 5.3049 5.3316 5.3316 5.3985 5.3985 5.5935 5.5935 5.8070 5.8070 5.8921 5.8921 5.9879 5.9879 6.0300 6.0300 6.1381 6.1381 6.1858 6.1858 6.5413 6.5413 6.6493 6.6493 7.3775 7.3775 7.7467 7.7467 10.0519 10.0519 10.7269 10.7269 11.6176 11.6176 11.9901 11.9901 12.9668 12.9668 k = 0.4103 0.4441-0.0000 ( 4222 PWs) bands (ev): -31.9846 -31.9846 -31.9796 -31.9796 -13.2977 -13.2977 -13.2797 -13.2797 -12.9411 -12.9411 -12.9222 -12.9222 -12.8997 -12.8997 -12.8809 -12.8809 -1.6168 -1.6168 -1.5840 -1.5840 3.6202 3.6202 4.0550 4.0550 5.2644 5.2644 5.3315 5.3315 5.3976 5.3976 5.6025 5.6025 5.7959 5.7959 5.8847 5.8847 5.9845 5.9845 6.0281 6.0281 6.1360 6.1360 6.1853 6.1853 6.4936 6.4936 6.6117 6.6117 7.3916 7.3916 7.7468 7.7468 10.0930 10.0930 10.8442 10.8442 11.5329 11.5329 12.0156 12.0156 12.9190 12.9190 k = 0.4038 0.4552-0.0000 ( 4216 PWs) bands (ev): -31.9845 -31.9845 -31.9796 -31.9796 -13.2977 -13.2977 -13.2798 -13.2798 -12.9407 -12.9407 -12.9222 -12.9222 -12.9004 -12.9004 -12.8814 -12.8814 -1.6086 -1.6086 -1.5797 -1.5797 3.6546 3.6546 4.0508 4.0508 5.2138 5.2138 5.3360 5.3360 5.3975 5.3975 5.6119 5.6119 5.7867 5.7867 5.8772 5.8772 5.9801 5.9801 6.0266 6.0266 6.1341 6.1341 6.1844 6.1844 6.4502 6.4502 6.5770 6.5770 7.4067 7.4067 7.7461 7.7461 10.1363 10.1363 10.9600 10.9600 11.4504 11.4504 12.0348 12.0348 12.8683 12.8683 k = 0.3974 0.4663-0.0000 ( 4220 PWs) bands (ev): -31.9845 -31.9845 -31.9796 -31.9796 -13.2978 -13.2978 -13.2799 -13.2799 -12.9404 -12.9404 -12.9223 -12.9223 -12.9011 -12.9011 -12.8818 -12.8818 -1.6003 -1.6003 -1.5753 -1.5753 3.6903 3.6903 4.0462 4.0462 5.1586 5.1586 5.3403 5.3403 5.3980 5.3980 5.6216 5.6216 5.7794 5.7794 5.8699 5.8699 5.9748 5.9748 6.0251 6.0251 6.1323 6.1323 6.1832 6.1832 6.4114 6.4114 6.5449 6.5449 7.4228 7.4228 7.7443 7.7443 10.1815 10.1815 11.0737 11.0737 11.3703 11.3703 12.0476 12.0476 12.8152 12.8152 k = 0.3910 0.4774-0.0000 ( 4224 PWs) bands (ev): -31.9845 -31.9845 -31.9795 -31.9795 -13.2978 -13.2978 -13.2801 -13.2801 -12.9401 -12.9401 -12.9224 -12.9224 -12.9018 -12.9018 -12.8823 -12.8823 -1.5922 -1.5922 -1.5710 -1.5710 3.7269 3.7269 4.0413 4.0413 5.1005 5.1005 5.3441 5.3441 5.3993 5.3993 5.6314 5.6314 5.7742 5.7742 5.8626 5.8626 5.9690 5.9690 6.0236 6.0236 6.1308 6.1308 6.1813 6.1813 6.3773 6.3773 6.5157 6.5157 7.4398 7.4398 7.7414 7.7414 10.2285 10.2285 11.1835 11.1835 11.2940 11.2940 12.0542 12.0542 12.7601 12.7601 k = 0.3846 0.4885-0.0000 ( 4224 PWs) bands (ev): -31.9844 -31.9844 -31.9795 -31.9795 -13.2979 -13.2979 -13.2802 -13.2802 -12.9398 -12.9398 -12.9224 -12.9224 -12.9024 -12.9024 -12.8827 -12.8827 -1.5844 -1.5844 -1.5669 -1.5669 3.7639 3.7639 4.0363 4.0363 5.0411 5.0411 5.3470 5.3470 5.4013 5.4013 5.6412 5.6412 5.7709 5.7709 5.8556 5.8556 5.9630 5.9630 6.0218 6.0218 6.1295 6.1295 6.1789 6.1789 6.3478 6.3478 6.4894 6.4894 7.4577 7.4577 7.7372 7.7372 10.2771 10.2771 11.2107 11.2107 11.2999 11.2999 12.0553 12.0553 12.7034 12.7034 k = 0.3782 0.4996-0.0000 ( 4222 PWs) bands (ev): -31.9844 -31.9844 -31.9795 -31.9795 -13.2979 -13.2979 -13.2803 -13.2803 -12.9395 -12.9395 -12.9225 -12.9225 -12.9030 -12.9030 -12.8830 -12.8830 -1.5770 -1.5770 -1.5631 -1.5631 3.8007 3.8007 4.0312 4.0312 4.9821 4.9821 5.3492 5.3492 5.4037 5.4037 5.6507 5.6507 5.7694 5.7694 5.8487 5.8487 5.9571 5.9571 6.0196 6.0196 6.1284 6.1284 6.1759 6.1759 6.3228 6.3228 6.4661 6.4661 7.4764 7.4764 7.7314 7.7314 10.3269 10.3269 11.1397 11.1397 11.4031 11.4031 12.0516 12.0516 12.6456 12.6456 k = 0.3718 0.5107-0.0000 ( 4222 PWs) bands (ev): -31.9844 -31.9844 -31.9795 -31.9795 -13.2980 -13.2980 -13.2804 -13.2804 -12.9392 -12.9392 -12.9226 -12.9226 -12.9036 -12.9036 -12.8833 -12.8833 -1.5701 -1.5701 -1.5595 -1.5595 3.8364 3.8364 4.0264 4.0264 4.9251 4.9251 5.3509 5.3509 5.4064 5.4064 5.6595 5.6595 5.7698 5.7698 5.8421 5.8421 5.9516 5.9516 6.0170 6.0170 6.1275 6.1275 6.1723 6.1723 6.3021 6.3021 6.4458 6.4458 7.4959 7.4959 7.7239 7.7239 10.3779 10.3779 11.0689 11.0689 11.5049 11.5049 12.0440 12.0440 12.5871 12.5871 k = 0.3654 0.5218-0.0000 ( 4226 PWs) bands (ev): -31.9844 -31.9844 -31.9794 -31.9794 -13.2980 -13.2980 -13.2805 -13.2805 -12.9390 -12.9390 -12.9227 -12.9227 -12.9041 -12.9041 -12.8836 -12.8836 -1.5640 -1.5640 -1.5562 -1.5562 3.8698 3.8698 4.0222 4.0222 4.8719 4.8719 5.3521 5.3521 5.4090 5.4090 5.6674 5.6674 5.7718 5.7718 5.8357 5.8357 5.9467 5.9467 6.0140 6.0140 6.1269 6.1269 6.1681 6.1681 6.2857 6.2857 6.4286 6.4286 7.5161 7.5161 7.7145 7.7145 10.4298 10.4298 11.0003 11.0003 11.6027 11.6027 12.0332 12.0332 12.5287 12.5287 k = 0.3590 0.5329-0.0000 ( 4230 PWs) bands (ev): -31.9843 -31.9843 -31.9794 -31.9794 -13.2981 -13.2981 -13.2806 -13.2806 -12.9388 -12.9388 -12.9228 -12.9228 -12.9045 -12.9045 -12.8838 -12.8838 -1.5587 -1.5587 -1.5533 -1.5533 3.8992 3.8992 4.0193 4.0193 4.8243 4.8243 5.3531 5.3531 5.4113 5.4113 5.6742 5.6742 5.7753 5.7753 5.8296 5.8296 5.9425 5.9425 6.0106 6.0106 6.1263 6.1263 6.1637 6.1637 6.2731 6.2731 6.4145 6.4145 7.5369 7.5369 7.7030 7.7030 10.4824 10.4824 10.9341 10.9341 11.6952 11.6952 12.0202 12.0202 12.4716 12.4716 k = 0.3526 0.5440-0.0000 ( 4236 PWs) bands (ev): -31.9843 -31.9843 -31.9794 -31.9794 -13.2981 -13.2981 -13.2806 -13.2806 -12.9387 -12.9387 -12.9229 -12.9229 -12.9049 -12.9049 -12.8839 -12.8839 -1.5544 -1.5544 -1.5509 -1.5509 3.9227 3.9227 4.0183 4.0183 4.7844 4.7844 5.3539 5.3539 5.4130 5.4130 5.6795 5.6795 5.7798 5.7798 5.8238 5.8238 5.9392 5.9392 6.0073 6.0073 6.1259 6.1259 6.1596 6.1596 6.2641 6.2641 6.4034 6.4034 7.5581 7.5581 7.6895 7.6895 10.5354 10.5354 10.8705 10.8705 11.7805 11.7805 12.0059 12.0059 12.4174 12.4174 k = 0.3462 0.5551-0.0000 ( 4232 PWs) bands (ev): -31.9843 -31.9843 -31.9794 -31.9794 -13.2982 -13.2982 -13.2807 -13.2807 -12.9386 -12.9386 -12.9229 -12.9229 -12.9051 -12.9051 -12.8840 -12.8840 -1.5514 -1.5514 -1.5489 -1.5489 3.9385 3.9385 4.0199 4.0199 4.7541 4.7541 5.3546 5.3546 5.4142 5.4142 5.6834 5.6834 5.7847 5.7847 5.8185 5.8185 5.9370 5.9370 6.0044 6.0044 6.1257 6.1257 6.1561 6.1561 6.2580 6.2580 6.3955 6.3955 7.5793 7.5793 7.6740 7.6740 10.5888 10.5888 10.8096 10.8096 11.8545 11.8545 11.9914 11.9914 12.3694 12.3694 k = 0.3397 0.5662-0.0000 ( 4236 PWs) bands (ev): -31.9843 -31.9843 -31.9794 -31.9794 -13.2982 -13.2982 -13.2807 -13.2807 -12.9385 -12.9385 -12.9229 -12.9229 -12.9053 -12.9053 -12.8841 -12.8841 -1.5497 -1.5497 -1.5474 -1.5474 3.9465 3.9465 4.0227 4.0227 4.7352 4.7352 5.3551 5.3551 5.4149 5.4149 5.6857 5.6857 5.7890 5.7890 5.8143 5.8143 5.9357 5.9357 6.0023 6.0023 6.1256 6.1256 6.1538 6.1538 6.2546 6.2546 6.3907 6.3907 7.5991 7.5991 7.6577 7.6577 10.6424 10.6424 10.7515 10.7515 11.9084 11.9084 11.9800 11.9800 12.3337 12.3337 k = 0.3333 0.5774-0.0000 ( 4230 PWs) bands (ev): -31.9843 -31.9843 -31.9794 -31.9794 -13.2982 -13.2982 -13.2807 -13.2807 -12.9385 -12.9385 -12.9229 -12.9229 -12.9053 -12.9053 -12.8841 -12.8841 -1.5491 -1.5491 -1.5469 -1.5469 3.9486 3.9486 4.0242 4.0242 4.7288 4.7288 5.3553 5.3553 5.4151 5.4151 5.6864 5.6864 5.7909 5.7909 5.8126 5.8126 5.9353 5.9353 6.0016 6.0016 6.1255 6.1255 6.1530 6.1530 6.2535 6.2535 6.3891 6.3891 7.6103 7.6103 7.6478 7.6478 10.6955 10.6955 10.6969 10.6969 11.9269 11.9269 11.9778 11.9778 12.3197 12.3197 k = 0.3333 0.5774-0.0000 ( 4230 PWs) bands (ev): -31.9843 -31.9843 -31.9794 -31.9794 -13.2982 -13.2982 -13.2807 -13.2807 -12.9385 -12.9385 -12.9229 -12.9229 -12.9053 -12.9053 -12.8841 -12.8841 -1.5491 -1.5491 -1.5469 -1.5469 3.9486 3.9486 4.0242 4.0242 4.7288 4.7288 5.3553 5.3553 5.4151 5.4151 5.6864 5.6864 5.7909 5.7909 5.8126 5.8126 5.9353 5.9353 6.0016 6.0016 6.1255 6.1255 6.1530 6.1530 6.2535 6.2535 6.3891 6.3891 7.6103 7.6103 7.6478 7.6478 10.6955 10.6955 10.6969 10.6969 11.9269 11.9269 11.9778 11.9778 12.3197 12.3197 k = 0.3268 0.5660-0.0000 ( 4230 PWs) bands (ev): -31.9843 -31.9843 -31.9794 -31.9794 -13.2982 -13.2982 -13.2807 -13.2807 -12.9385 -12.9385 -12.9229 -12.9229 -12.9052 -12.9052 -12.8841 -12.8841 -1.5498 -1.5498 -1.5474 -1.5474 3.9470 3.9470 4.0222 4.0222 4.7353 4.7353 5.3550 5.3550 5.4150 5.4150 5.6856 5.6856 5.7890 5.7890 5.8144 5.8144 5.9357 5.9357 6.0024 6.0024 6.1256 6.1256 6.1539 6.1539 6.2546 6.2546 6.3908 6.3908 7.5975 7.5975 7.6593 7.6593 10.6428 10.6428 10.7511 10.7511 11.9171 11.9171 11.9702 11.9702 12.3347 12.3347 k = 0.3203 0.5547-0.0000 ( 4226 PWs) bands (ev): -31.9843 -31.9843 -31.9794 -31.9794 -13.2982 -13.2982 -13.2806 -13.2806 -12.9386 -12.9386 -12.9228 -12.9228 -12.9051 -12.9051 -12.8840 -12.8840 -1.5520 -1.5520 -1.5490 -1.5490 3.9431 3.9431 4.0166 4.0166 4.7539 4.7539 5.3539 5.3539 5.4150 5.4150 5.6831 5.6831 5.7846 5.7846 5.8184 5.8184 5.9372 5.9372 6.0046 6.0046 6.1256 6.1256 6.1565 6.1565 6.2583 6.2583 6.3962 6.3962 7.5724 7.5724 7.6803 7.6803 10.5927 10.5927 10.8063 10.8063 11.8966 11.8966 11.9447 11.9447 12.3732 12.3732 k = 0.3137 0.5434-0.0000 ( 4228 PWs) bands (ev): -31.9843 -31.9843 -31.9794 -31.9794 -13.2981 -13.2981 -13.2806 -13.2806 -12.9386 -12.9386 -12.9228 -12.9228 -12.9048 -12.9048 -12.8840 -12.8840 -1.5562 -1.5562 -1.5512 -1.5512 3.9373 3.9373 4.0089 4.0089 4.7829 4.7829 5.3515 5.3515 5.4154 5.4154 5.6786 5.6786 5.7797 5.7797 5.8232 5.8232 5.9398 5.9398 6.0078 6.0078 6.1255 6.1255 6.1604 6.1604 6.2646 6.2646 6.4054 6.4054 7.5426 7.5426 7.7031 7.7031 10.5458 10.5458 10.8617 10.8617 11.8650 11.8650 11.9137 11.9137 12.4227 12.4227 k = 0.3072 0.5321-0.0000 ( 4228 PWs) bands (ev): -31.9843 -31.9843 -31.9794 -31.9794 -13.2981 -13.2981 -13.2805 -13.2805 -12.9388 -12.9388 -12.9226 -12.9226 -12.9045 -12.9045 -12.8838 -12.8838 -1.5624 -1.5624 -1.5542 -1.5542 3.9295 3.9295 4.0013 4.0013 4.8199 4.8199 5.3476 5.3476 5.4168 5.4168 5.6720 5.6720 5.7754 5.7754 5.8282 5.8282 5.9438 5.9438 6.0114 6.0114 6.1253 6.1253 6.1653 6.1653 6.2740 6.2740 6.4186 6.4186 7.5093 7.5093 7.7265 7.7265 10.5023 10.5023 10.9176 10.9176 11.8185 11.8185 11.8893 11.8893 12.4734 12.4734 k = 0.3007 0.5207-0.0000 ( 4232 PWs) bands (ev): -31.9844 -31.9844 -31.9795 -31.9795 -13.2980 -13.2980 -13.2804 -13.2804 -12.9389 -12.9389 -12.9225 -12.9225 -12.9040 -12.9040 -12.8837 -12.8837 -1.5707 -1.5707 -1.5581 -1.5581 3.9199 3.9199 3.9958 3.9958 4.8627 4.8627 5.3421 5.3421 5.4193 5.4193 5.6631 5.6631 5.7727 5.7727 5.8330 5.8330 5.9495 5.9495 6.0150 6.0150 6.1250 6.1250 6.1706 6.1706 6.2867 6.2867 6.4361 6.4361 7.4732 7.4732 7.7498 7.7498 10.4624 10.4624 10.9741 10.9741 11.7631 11.7631 11.8702 11.8702 12.5191 12.5191 k = 0.2941 0.5094-0.0000 ( 4230 PWs) bands (ev): -31.9844 -31.9844 -31.9795 -31.9795 -13.2979 -13.2979 -13.2802 -13.2802 -12.9390 -12.9390 -12.9222 -12.9222 -12.9035 -12.9035 -12.8834 -12.8834 -1.5811 -1.5811 -1.5629 -1.5629 3.9090 3.9090 3.9935 3.9935 4.9091 4.9091 5.3347 5.3347 5.4230 5.4230 5.6520 5.6520 5.7724 5.7724 5.8378 5.8378 5.9571 5.9571 6.0183 6.0183 6.1244 6.1244 6.1759 6.1759 6.3032 6.3032 6.4581 6.4581 7.4343 7.4343 7.7728 7.7728 10.4261 10.4261 11.0314 11.0314 11.7038 11.7038 11.8538 11.8538 12.5555 12.5555 k = 0.2876 0.4981-0.0000 ( 4230 PWs) bands (ev): -31.9844 -31.9844 -31.9795 -31.9795 -13.2978 -13.2978 -13.2799 -13.2799 -12.9392 -12.9392 -12.9218 -12.9218 -12.9030 -12.9030 -12.8832 -12.8832 -1.5936 -1.5936 -1.5687 -1.5687 3.8984 3.8984 3.9945 3.9945 4.9571 4.9571 5.3257 5.3257 5.4279 5.4279 5.6387 5.6387 5.7752 5.7752 5.8425 5.8425 5.9666 5.9666 6.0213 6.0213 6.1238 6.1238 6.1809 6.1809 6.3232 6.3232 6.4847 6.4847 7.3930 7.3930 7.7954 7.7954 10.3936 10.3936 11.0898 11.0898 11.6428 11.6428 11.8391 11.8391 12.5787 12.5787 k = 0.2810 0.4868-0.0000 ( 4230 PWs) bands (ev): -31.9845 -31.9845 -31.9796 -31.9796 -13.2977 -13.2977 -13.2796 -13.2796 -12.9394 -12.9394 -12.9214 -12.9214 -12.9023 -12.9023 -12.8829 -12.8829 -1.6082 -1.6082 -1.5755 -1.5755 3.8891 3.8891 3.9984 3.9984 5.0050 5.0050 5.3152 5.3152 5.4340 5.4340 5.6235 5.6235 5.7816 5.7816 5.8472 5.8472 5.9781 5.9781 6.0238 6.0238 6.1231 6.1231 6.1855 6.1855 6.3466 6.3466 6.5160 6.5160 7.3494 7.3494 7.8172 7.8172 10.3650 10.3650 11.1495 11.1495 11.5814 11.5814 11.8257 11.8257 12.5860 12.5860 k = 0.2745 0.4755-0.0000 ( 4226 PWs) bands (ev): -31.9845 -31.9845 -31.9796 -31.9796 -13.2975 -13.2975 -13.2792 -13.2792 -12.9396 -12.9396 -12.9209 -12.9209 -12.9016 -12.9016 -12.8826 -12.8826 -1.6251 -1.6251 -1.5832 -1.5832 3.8822 3.8822 4.0050 4.0050 5.0508 5.0508 5.3034 5.3034 5.4412 5.4412 5.6069 5.6069 5.7921 5.7921 5.8518 5.8518 5.9914 5.9914 6.0262 6.0262 6.1224 6.1224 6.1897 6.1897 6.3734 6.3734 6.5518 6.5518 7.3040 7.3040 7.8383 7.8383 10.3406 10.3406 11.2105 11.2105 11.5202 11.5202 11.8136 11.8136 12.5767 12.5767 k = 0.2680 0.4641-0.0000 ( 4223 PWs) bands (ev): -31.9846 -31.9846 -31.9797 -31.9797 -13.2973 -13.2973 -13.2789 -13.2789 -12.9397 -12.9397 -12.9204 -12.9204 -12.9007 -12.9007 -12.8823 -12.8823 -1.6440 -1.6440 -1.5920 -1.5920 3.8785 3.8785 4.0142 4.0142 5.0930 5.0930 5.2904 5.2904 5.4493 5.4493 5.5891 5.5891 5.8072 5.8072 5.8567 5.8567 6.0059 6.0059 6.0291 6.0291 6.1219 6.1219 6.1937 6.1937 6.4035 6.4035 6.5919 6.5919 7.2570 7.2570 7.8584 7.8584 10.3202 10.3202 11.2729 11.2729 11.4597 11.4597 11.8028 11.8028 12.5518 12.5518 k = 0.2614 0.4528-0.0000 ( 4225 PWs) bands (ev): -31.9847 -31.9847 -31.9798 -31.9798 -13.2971 -13.2971 -13.2784 -13.2784 -12.9398 -12.9398 -12.9198 -12.9198 -12.8999 -12.8999 -12.8820 -12.8820 -1.6651 -1.6651 -1.6017 -1.6017 3.8784 3.8784 4.0258 4.0258 5.1298 5.1298 5.2766 5.2766 5.4584 5.4584 5.5703 5.5703 5.8266 5.8266 5.8625 5.8625 6.0185 6.0185 6.0356 6.0356 6.1219 6.1219 6.1976 6.1976 6.4369 6.4369 6.6361 6.6361 7.2086 7.2086 7.8774 7.8774 10.3042 10.3042 11.3352 11.3352 11.4017 11.4017 11.7931 11.7931 12.5138 12.5138 k = 0.2549 0.4415-0.0000 ( 4229 PWs) bands (ev): -31.9848 -31.9848 -31.9798 -31.9798 -13.2969 -13.2969 -13.2780 -13.2780 -12.9399 -12.9399 -12.9191 -12.9191 -12.8990 -12.8990 -12.8817 -12.8817 -1.6882 -1.6882 -1.6123 -1.6123 3.8821 3.8821 4.0396 4.0396 5.1600 5.1600 5.2621 5.2621 5.4685 5.4685 5.5509 5.5509 5.8470 5.8470 5.8725 5.8725 6.0240 6.0240 6.0506 6.0506 6.1232 6.1232 6.2014 6.2014 6.4738 6.4738 6.6841 6.6841 7.1592 7.1592 7.8951 7.8951 10.2925 10.2925 11.3364 11.3364 11.4075 11.4075 11.7847 11.7847 12.4656 12.4656 k = 0.2484 0.4302-0.0000 ( 4237 PWs) bands (ev): -31.9849 -31.9849 -31.9799 -31.9799 -13.2967 -13.2967 -13.2774 -13.2774 -12.9401 -12.9401 -12.9183 -12.9183 -12.8981 -12.8981 -12.8814 -12.8814 -1.7132 -1.7132 -1.6239 -1.6239 3.8898 3.8898 4.0556 4.0556 5.1821 5.1821 5.2480 5.2480 5.4793 5.4793 5.5310 5.5310 5.8595 5.8595 5.8950 5.8950 6.0258 6.0258 6.0699 6.0699 6.1271 6.1271 6.2054 6.2054 6.5143 6.5143 6.7357 6.7357 7.1092 7.1092 7.9115 7.9115 10.2853 10.2853 11.2804 11.2804 11.4734 11.4734 11.7775 11.7775 12.4097 12.4097 k = 0.2418 0.4189-0.0000 ( 4233 PWs) bands (ev): -31.9850 -31.9850 -31.9800 -31.9800 -13.2964 -13.2964 -13.2768 -13.2768 -12.9401 -12.9401 -12.9174 -12.9174 -12.8971 -12.8971 -12.8810 -12.8810 -1.7400 -1.7400 -1.6363 -1.6363 3.9016 3.9016 4.0736 4.0736 5.1934 5.1934 5.2368 5.2368 5.4910 5.4910 5.5108 5.5108 5.8656 5.8656 5.9274 5.9274 6.0267 6.0267 6.0889 6.0889 6.1370 6.1370 6.2099 6.2099 6.5589 6.5589 6.7905 6.7905 7.0589 7.0589 7.9263 7.9263 10.2828 10.2828 11.2241 11.2241 11.5422 11.5422 11.7716 11.7716 12.3481 12.3481 k = 0.2353 0.4075-0.0000 ( 4241 PWs) bands (ev): -31.9851 -31.9851 -31.9801 -31.9801 -13.2962 -13.2962 -13.2762 -13.2762 -12.9402 -12.9402 -12.9165 -12.9165 -12.8961 -12.8961 -12.8807 -12.8807 -1.7686 -1.7686 -1.6495 -1.6495 3.9174 3.9174 4.0936 4.0936 5.1903 5.1903 5.2326 5.2326 5.4902 5.4902 5.5035 5.5035 5.8697 5.8697 5.9622 5.9622 6.0270 6.0270 6.1046 6.1046 6.1563 6.1563 6.2155 6.2155 6.6074 6.6074 6.8484 6.8484 7.0086 7.0086 7.9396 7.9396 10.2848 10.2848 11.1691 11.1691 11.6122 11.6122 11.7671 11.7671 12.2824 12.2824 k = 0.2288 0.3962-0.0000 ( 4239 PWs) bands (ev): -31.9852 -31.9852 -31.9802 -31.9802 -13.2959 -13.2959 -13.2755 -13.2755 -12.9402 -12.9402 -12.9155 -12.9155 -12.8950 -12.8950 -12.8803 -12.8803 -1.7987 -1.7987 -1.6635 -1.6635 3.9370 3.9370 4.1155 4.1155 5.1765 5.1765 5.2324 5.2324 5.4697 5.4697 5.5164 5.5164 5.8731 5.8731 5.9942 5.9942 6.0273 6.0273 6.1203 6.1203 6.1823 6.1823 6.2248 6.2248 6.6600 6.6600 6.9091 6.9091 6.9590 6.9590 7.9514 7.9514 10.2915 10.2915 11.1155 11.1155 11.6817 11.6817 11.7654 11.7654 12.2136 12.2136 k = 0.2222 0.3849-0.0000 ( 4243 PWs) bands (ev): -31.9853 -31.9853 -31.9803 -31.9803 -13.2956 -13.2956 -13.2747 -13.2747 -12.9402 -12.9402 -12.9144 -12.9144 -12.8939 -12.8939 -12.8800 -12.8800 -1.8303 -1.8303 -1.6782 -1.6782 3.9604 3.9604 4.1391 4.1391 5.1583 5.1583 5.2309 5.2309 5.4490 5.4490 5.5298 5.5298 5.8761 5.8761 6.0174 6.0174 6.0282 6.0282 6.1422 6.1422 6.2032 6.2032 6.2473 6.2473 6.7162 6.7162 6.9109 6.9109 6.9725 6.9725 7.9615 7.9615 10.3028 10.3028 11.0634 11.0634 11.7369 11.7369 11.7797 11.7797 12.1427 12.1427 k = 0.2157 0.3736-0.0000 ( 4251 PWs) bands (ev): -31.9854 -31.9854 -31.9804 -31.9804 -13.2953 -13.2953 -13.2739 -13.2739 -12.9402 -12.9402 -12.9133 -12.9133 -12.8927 -12.8927 -12.8796 -12.8796 -1.8632 -1.8632 -1.6935 -1.6935 3.9872 3.9872 4.1641 4.1641 5.1379 5.1379 5.2265 5.2265 5.4284 5.4284 5.5435 5.5435 5.8786 5.8786 6.0246 6.0246 6.0352 6.0352 6.1730 6.1730 6.2132 6.2132 6.2872 6.2872 6.7726 6.7726 6.8681 6.8681 7.0384 7.0384 7.9700 7.9700 10.3188 10.3188 11.0131 11.0131 11.7474 11.7474 11.8400 11.8400 12.0704 12.0704 k = 0.2092 0.3623-0.0000 ( 4247 PWs) bands (ev): -31.9855 -31.9855 -31.9806 -31.9806 -13.2949 -13.2949 -13.2731 -13.2731 -12.9401 -12.9401 -12.9120 -12.9120 -12.8916 -12.8916 -12.8793 -12.8793 -1.8971 -1.8971 -1.7094 -1.7094 4.0173 4.0173 4.1906 4.1906 5.1162 5.1162 5.2193 5.2193 5.4080 5.4080 5.5575 5.5575 5.8808 5.8808 6.0248 6.0248 6.0415 6.0415 6.2100 6.2100 6.2198 6.2198 6.3369 6.3369 6.7928 6.7928 6.8671 6.8671 7.1066 7.1066 7.9768 7.9768 10.3393 10.3393 10.9645 10.9645 11.7470 11.7470 11.9113 11.9113 11.9977 11.9977 k = 0.2026 0.3509-0.0000 ( 4247 PWs) bands (ev): -31.9857 -31.9857 -31.9807 -31.9807 -13.2946 -13.2946 -13.2722 -13.2722 -12.9400 -12.9400 -12.9106 -12.9106 -12.8903 -12.8903 -12.8790 -12.8790 -1.9320 -1.9320 -1.7257 -1.7257 4.0504 4.0504 4.2182 4.2182 5.0933 5.0933 5.2097 5.2097 5.3876 5.3876 5.5716 5.5716 5.8827 5.8827 6.0242 6.0242 6.0441 6.0441 6.2229 6.2229 6.2537 6.2537 6.3924 6.3924 6.7570 6.7570 6.9279 6.9279 7.1770 7.1770 7.9821 7.9821 10.3644 10.3644 10.9177 10.9177 11.7453 11.7453 11.9216 11.9216 11.9866 11.9866 k = 0.1961 0.3396-0.0000 ( 4243 PWs) bands (ev): -31.9858 -31.9858 -31.9808 -31.9808 -13.2942 -13.2942 -13.2713 -13.2713 -12.9399 -12.9399 -12.9093 -12.9093 -12.8891 -12.8891 -12.8786 -12.8786 -1.9677 -1.9677 -1.7425 -1.7425 4.0862 4.0862 4.2468 4.2468 5.0696 5.0696 5.1981 5.1981 5.3675 5.3675 5.5858 5.5858 5.8843 5.8843 6.0235 6.0235 6.0443 6.0443 6.2271 6.2271 6.2991 6.2991 6.4519 6.4519 6.7149 6.7149 7.0008 7.0008 7.2495 7.2495 7.9860 7.9860 10.3938 10.3938 10.8728 10.8728 11.7430 11.7430 11.8488 11.8488 12.0579 12.0579 k = 0.1895 0.3283-0.0000 ( 4249 PWs) bands (ev): -31.9860 -31.9860 -31.9809 -31.9809 -13.2938 -13.2938 -13.2704 -13.2704 -12.9397 -12.9397 -12.9078 -12.9078 -12.8878 -12.8878 -12.8783 -12.8783 -2.0039 -2.0039 -1.7597 -1.7597 4.1243 4.1243 4.2762 4.2762 5.0449 5.0449 5.1849 5.1849 5.3476 5.3476 5.5999 5.5999 5.8856 5.8856 6.0226 6.0226 6.0433 6.0433 6.2307 6.2307 6.3472 6.3472 6.5140 6.5140 6.6742 6.6742 7.0786 7.0786 7.3240 7.3240 7.9885 7.9885 10.4274 10.4274 10.8298 10.8298 11.7390 11.7390 11.7766 11.7766 12.1279 12.1279 k = 0.1830 0.3170-0.0000 ( 4257 PWs) bands (ev): -31.9861 -31.9861 -31.9811 -31.9811 -13.2934 -13.2934 -13.2694 -13.2694 -12.9396 -12.9396 -12.9064 -12.9064 -12.8865 -12.8865 -12.8780 -12.8780 -2.0406 -2.0406 -1.7771 -1.7771 4.1645 4.1645 4.3061 4.3061 5.0193 5.0193 5.1704 5.1704 5.3280 5.3280 5.6140 5.6140 5.8867 5.8867 6.0215 6.0215 6.0416 6.0416 6.2341 6.2341 6.3979 6.3979 6.5742 6.5742 6.6402 6.6402 7.1597 7.1597 7.4003 7.4003 7.9898 7.9898 10.4650 10.4650 10.7889 10.7889 11.6991 11.6991 11.7400 11.7400 12.1942 12.1942 k = 0.1765 0.3057-0.0000 ( 4253 PWs) bands (ev): -31.9863 -31.9863 -31.9812 -31.9812 -13.2930 -13.2930 -13.2684 -13.2684 -12.9394 -12.9394 -12.9048 -12.9048 -12.8852 -12.8852 -12.8777 -12.8777 -2.0775 -2.0775 -1.7946 -1.7946 4.2063 4.2063 4.3364 4.3364 4.9931 4.9931 5.1550 5.1550 5.3089 5.3089 5.6278 5.6278 5.8877 5.8877 6.0204 6.0204 6.0395 6.0395 6.2372 6.2372 6.4504 6.4504 6.5852 6.5852 6.6614 6.6614 7.2434 7.2434 7.4783 7.4783 7.9900 7.9900 10.5066 10.5066 10.7502 10.7502 11.6278 11.6278 11.7345 11.7345 12.2543 12.2543 k = 0.1699 0.2943-0.0000 ( 4253 PWs) bands (ev): -31.9864 -31.9864 -31.9814 -31.9814 -13.2926 -13.2926 -13.2674 -13.2674 -12.9392 -12.9392 -12.9032 -12.9032 -12.8839 -12.8839 -12.8774 -12.8774 -2.1145 -2.1145 -1.8123 -1.8123 4.2495 4.2495 4.3667 4.3667 4.9663 4.9663 5.1387 5.1387 5.2902 5.2902 5.6413 5.6413 5.8885 5.8885 6.0192 6.0192 6.0372 6.0372 6.2400 6.2400 6.4992 6.4992 6.5621 6.5621 6.7286 6.7286 7.3289 7.3289 7.5577 7.5577 7.9895 7.9895 10.5517 10.5517 10.7136 10.7136 11.5566 11.5566 11.7284 11.7284 12.3044 12.3044 k = 0.1634 0.2830-0.0000 ( 4251 PWs) bands (ev): -31.9866 -31.9866 -31.9815 -31.9815 -13.2923 -13.2923 -13.2664 -13.2664 -12.9390 -12.9390 -12.9015 -12.9015 -12.8826 -12.8826 -12.8771 -12.8771 -2.1515 -2.1515 -1.8300 -1.8300 4.2936 4.2936 4.3971 4.3971 4.9389 4.9389 5.1220 5.1220 5.2718 5.2718 5.6543 5.6543 5.8893 5.8893 6.0180 6.0180 6.0349 6.0349 6.2424 6.2424 6.5044 6.5044 6.5846 6.5846 6.8021 6.8021 7.4156 7.4156 7.6384 7.6384 7.9885 7.9885 10.6001 10.6001 10.6795 10.6795 11.4865 11.4865 11.7204 11.7204 12.3392 12.3392 k = 0.1569 0.2717-0.0000 ( 4249 PWs) bands (ev): -31.9867 -31.9867 -31.9816 -31.9816 -13.2919 -13.2919 -13.2653 -13.2653 -12.9387 -12.9387 -12.8998 -12.8998 -12.8812 -12.8812 -12.8769 -12.8769 -2.1882 -2.1882 -1.8477 -1.8477 4.3384 4.3384 4.4271 4.4271 4.9112 4.9112 5.1049 5.1049 5.2540 5.2540 5.6666 5.6666 5.8903 5.8903 6.0167 6.0167 6.0325 6.0325 6.2443 6.2443 6.4784 6.4784 6.6437 6.6437 6.8793 6.8793 7.5028 7.5028 7.7197 7.7197 7.9875 7.9875 10.6412 10.6412 10.6582 10.6582 11.4177 11.4177 11.7100 11.7100 12.3541 12.3541 k = 0.1503 0.2604-0.0000 ( 4253 PWs) bands (ev): -31.9869 -31.9869 -31.9818 -31.9818 -13.2915 -13.2915 -13.2643 -13.2643 -12.9385 -12.9385 -12.8981 -12.8981 -12.8799 -12.8799 -12.8766 -12.8766 -2.2245 -2.2245 -1.8652 -1.8652 4.3835 4.3835 4.4568 4.4568 4.8831 4.8831 5.0875 5.0875 5.2367 5.2367 5.6781 5.6781 5.8915 5.8915 6.0154 6.0154 6.0301 6.0301 6.2457 6.2457 6.4509 6.4509 6.7103 6.7103 6.9599 6.9599 7.5898 7.5898 7.8003 7.8003 7.9880 7.9880 10.6160 10.6160 10.7085 10.7085 11.3506 11.3506 11.6964 11.6964 12.3495 12.3495 k = 0.1438 0.2491-0.0000 ( 4255 PWs) bands (ev): -31.9871 -31.9871 -31.9819 -31.9819 -13.2911 -13.2911 -13.2633 -13.2633 -12.9382 -12.9382 -12.8963 -12.8963 -12.8785 -12.8785 -12.8764 -12.8764 -2.2602 -2.2602 -1.8826 -1.8826 4.4285 4.4285 4.4858 4.4858 4.8548 4.8548 5.0702 5.0702 5.2199 5.2199 5.6886 5.6886 5.8931 5.8931 6.0141 6.0141 6.0277 6.0277 6.2463 6.2463 6.4253 6.4253 6.7814 6.7814 7.0438 7.0438 7.6760 7.6760 7.8754 7.8754 7.9948 7.9948 10.5888 10.5888 10.7660 10.7660 11.2851 11.2851 11.6791 11.6791 12.3307 12.3307 k = 0.1373 0.2377-0.0000 ( 4251 PWs) bands (ev): -31.9872 -31.9872 -31.9821 -31.9821 -13.2907 -13.2907 -13.2622 -13.2622 -12.9380 -12.9380 -12.8946 -12.8946 -12.8772 -12.8772 -12.8761 -12.8761 -2.2953 -2.2953 -1.8996 -1.8996 4.4732 4.4732 4.5141 4.5141 4.8266 4.8266 5.0529 5.0529 5.2037 5.2037 5.6980 5.6980 5.8953 5.8953 6.0129 6.0129 6.0254 6.0254 6.2460 6.2460 6.4024 6.4024 6.8564 6.8564 7.1313 7.1313 7.7608 7.7608 7.9272 7.9272 8.0258 8.0258 10.5638 10.5638 10.8260 10.8260 11.2217 11.2217 11.6572 11.6572 12.3035 12.3035 k = 0.1307 0.2264-0.0000 ( 4257 PWs) bands (ev): -31.9874 -31.9874 -31.9822 -31.9822 -13.2904 -13.2904 -13.2612 -13.2612 -12.9377 -12.9377 -12.8928 -12.8928 -12.8761 -12.8761 -12.8756 -12.8756 -2.3296 -2.3296 -1.9164 -1.9164 4.5168 4.5168 4.5416 4.5416 4.7986 4.7986 5.0359 5.0359 5.1882 5.1882 5.7061 5.7061 5.8980 5.8980 6.0116 6.0116 6.0231 6.0231 6.2445 6.2445 6.3826 6.3826 6.9350 6.9350 7.2224 7.2224 7.8437 7.8437 7.9434 7.9434 8.0933 8.0933 10.5412 10.5412 10.8882 10.8882 11.1603 11.1603 11.6304 11.6304 12.2720 12.2720 k = 0.1242 0.2151-0.0000 ( 4261 PWs) bands (ev): -31.9875 -31.9875 -31.9824 -31.9824 -13.2901 -13.2901 -13.2602 -13.2602 -12.9375 -12.9375 -12.8911 -12.8911 -12.8758 -12.8758 -12.8745 -12.8745 -2.3630 -2.3630 -1.9327 -1.9327 4.5579 4.5579 4.5696 4.5696 4.7710 4.7710 5.0191 5.0191 5.1732 5.1732 5.7128 5.7128 5.9016 5.9016 6.0103 6.0103 6.0209 6.0209 6.2416 6.2416 6.3661 6.3661 7.0173 7.0173 7.3171 7.3171 7.9236 7.9236 7.9457 7.9457 8.1759 8.1759 10.5210 10.5210 10.9523 10.9523 11.1010 11.1010 11.5978 11.5978 12.2385 12.2385 k = 0.1176 0.2038-0.0000 ( 4253 PWs) bands (ev): -31.9877 -31.9877 -31.9825 -31.9825 -13.2897 -13.2897 -13.2592 -13.2592 -12.9372 -12.9372 -12.8893 -12.8893 -12.8755 -12.8755 -12.8731 -12.8731 -2.3953 -2.3953 -1.9485 -1.9485 4.5885 4.5885 4.6053 4.6053 4.7442 4.7442 5.0029 5.0029 5.1590 5.1590 5.7181 5.7181 5.9059 5.9059 6.0090 6.0090 6.0186 6.0186 6.2374 6.2374 6.3530 6.3530 7.1032 7.1032 7.4156 7.4156 7.9431 7.9431 8.0018 8.0018 8.2632 8.2632 10.5033 10.5033 11.0179 11.0179 11.0440 11.0440 11.5590 11.5590 12.2044 12.2044 k = 0.1111 0.1925-0.0000 ( 4255 PWs) bands (ev): -31.9878 -31.9878 -31.9826 -31.9826 -13.2894 -13.2894 -13.2583 -13.2583 -12.9370 -12.9370 -12.8877 -12.8877 -12.8753 -12.8753 -12.8718 -12.8718 -2.4265 -2.4265 -1.9639 -1.9639 4.6116 4.6116 4.6446 4.6446 4.7191 4.7191 4.9872 4.9872 5.1455 5.1455 5.7221 5.7221 5.9110 5.9110 6.0078 6.0078 6.0164 6.0164 6.2317 6.2317 6.3431 6.3431 7.1924 7.1924 7.5175 7.5175 7.9403 7.9403 8.0756 8.0756 8.3526 8.3526 10.4879 10.4879 10.9892 10.9892 11.0845 11.0845 11.5137 11.5137 12.1705 12.1705 k = 0.1046 0.1811-0.0000 ( 4247 PWs) bands (ev): -31.9880 -31.9880 -31.9828 -31.9828 -13.2891 -13.2891 -13.2573 -13.2573 -12.9367 -12.9367 -12.8860 -12.8860 -12.8751 -12.8751 -12.8705 -12.8705 -2.4564 -2.4564 -1.9786 -1.9786 4.6299 4.6299 4.6811 4.6811 4.6995 4.6995 4.9722 4.9722 5.1327 5.1327 5.7248 5.7248 5.9168 5.9168 6.0065 6.0065 6.0142 6.0142 6.2251 6.2251 6.3361 6.3361 7.2847 7.2847 7.6226 7.6226 7.9376 7.9376 8.1456 8.1456 8.4431 8.4431 10.4747 10.4747 10.9367 10.9367 11.1518 11.1518 11.4615 11.4615 12.1374 12.1374 k = 0.0980 0.1698-0.0000 ( 4251 PWs) bands (ev): -31.9881 -31.9881 -31.9829 -31.9829 -13.2888 -13.2888 -13.2565 -13.2565 -12.9365 -12.9365 -12.8844 -12.8844 -12.8749 -12.8749 -12.8693 -12.8693 -2.4850 -2.4850 -1.9927 -1.9927 4.6363 4.6363 4.6846 4.6846 4.7220 4.7220 4.9579 4.9579 5.1207 5.1207 5.7263 5.7263 5.9230 5.9230 6.0052 6.0052 6.0119 6.0119 6.2179 6.2179 6.3313 6.3313 7.3800 7.3800 7.7295 7.7295 7.9365 7.9365 8.2113 8.2113 8.5343 8.5343 10.4637 10.4637 10.8863 10.8863 11.2192 11.2192 11.4024 11.4024 12.1054 12.1054 k = 0.0915 0.1585-0.0000 ( 4249 PWs) bands (ev): -31.9882 -31.9882 -31.9830 -31.9830 -13.2886 -13.2886 -13.2556 -13.2556 -12.9363 -12.9363 -12.8829 -12.8829 -12.8746 -12.8746 -12.8681 -12.8681 -2.5121 -2.5121 -2.0062 -2.0062 4.6242 4.6242 4.6923 4.6923 4.7563 4.7563 4.9446 4.9446 5.1096 5.1096 5.7268 5.7268 5.9296 5.9296 6.0040 6.0040 6.0097 6.0097 6.2107 6.2107 6.3282 6.3282 7.4779 7.4779 7.8319 7.8319 7.9438 7.9438 8.2725 8.2725 8.6257 8.6257 10.4547 10.4547 10.8380 10.8380 11.2858 11.2858 11.3369 11.3369 12.0748 12.0748 k = 0.0850 0.1472-0.0000 ( 4249 PWs) bands (ev): -31.9884 -31.9884 -31.9831 -31.9831 -13.2883 -13.2883 -13.2548 -13.2548 -12.9361 -12.9361 -12.8815 -12.8815 -12.8744 -12.8744 -12.8669 -12.8669 -2.5377 -2.5377 -2.0189 -2.0189 4.6045 4.6045 4.7068 4.7068 4.7885 4.7885 4.9324 4.9324 5.0993 5.0993 5.7265 5.7265 5.9363 5.9363 6.0026 6.0026 6.0077 6.0077 6.2037 6.2037 6.3262 6.3262 7.5782 7.5782 7.8925 7.8925 7.9965 7.9965 8.3291 8.3291 8.7170 8.7170 10.4474 10.4474 10.7916 10.7916 11.2627 11.2627 11.3534 11.3534 12.0648 12.0734 k = 0.0784 0.1358-0.0000 ( 4247 PWs) bands (ev): -31.9885 -31.9885 -31.9833 -31.9833 -13.2881 -13.2881 -13.2540 -13.2540 -12.9359 -12.9359 -12.8801 -12.8801 -12.8741 -12.8741 -12.8659 -12.8659 -2.5617 -2.5617 -2.0308 -2.0308 4.5836 4.5836 4.7219 4.7219 4.8180 4.8180 4.9218 4.9218 5.0901 5.0901 5.7255 5.7255 5.9430 5.9430 6.0012 6.0012 6.0058 6.0058 6.1971 6.1971 6.3252 6.3252 7.6803 7.6803 7.9027 7.9027 8.1030 8.1030 8.3812 8.3812 8.8079 8.8079 10.4416 10.4416 10.7467 10.7467 11.1838 11.1838 11.4179 11.4179 11.9585 11.9585 k = 0.0719 0.1245-0.0000 ( 4251 PWs) bands (ev): -31.9886 -31.9886 -31.9834 -31.9834 -13.2879 -13.2879 -13.2533 -13.2533 -12.9357 -12.9357 -12.8790 -12.8790 -12.8737 -12.8737 -12.8648 -12.8648 -2.5840 -2.5840 -2.0419 -2.0419 4.5633 4.5633 4.7361 4.7361 4.8439 4.8439 4.9133 4.9133 5.0818 5.0818 5.7242 5.7242 5.9495 5.9495 5.9995 5.9995 6.0044 6.0044 6.1913 6.1913 6.3246 6.3246 7.7838 7.7838 7.9027 7.9027 8.2223 8.2223 8.4292 8.4292 8.8979 8.8979 10.4368 10.4368 10.7028 10.7028 11.0990 11.0990 11.4806 11.4806 11.8452 11.8452 k = 0.0654 0.1132-0.0000 ( 4251 PWs) bands (ev): -31.9887 -31.9887 -31.9835 -31.9835 -13.2877 -13.2877 -13.2527 -13.2527 -12.9356 -12.9356 -12.8780 -12.8780 -12.8733 -12.8733 -12.8639 -12.8639 -2.6046 -2.6046 -2.0522 -2.0522 4.5441 4.5441 4.7488 4.7488 4.8640 4.8640 4.9091 4.9091 5.0748 5.0748 5.7225 5.7225 5.9555 5.9555 5.9976 5.9976 6.0036 6.0036 6.1862 6.1862 6.3245 6.3245 7.8872 7.8872 7.9016 7.9016 8.3441 8.3441 8.4752 8.4752 8.9865 8.9865 10.4326 10.4326 10.6594 10.6594 11.0093 11.0093 11.5404 11.5404 11.7359 11.7359 k = 0.0588 0.1019-0.0000 ( 4251 PWs) bands (ev): -31.9888 -31.9888 -31.9836 -31.9836 -13.2876 -13.2876 -13.2520 -13.2520 -12.9354 -12.9354 -12.8772 -12.8772 -12.8728 -12.8728 -12.8630 -12.8630 -2.6234 -2.6234 -2.0616 -2.0616 4.5262 4.5262 4.7599 4.7599 4.8741 4.8741 4.9135 4.9135 5.0691 5.0691 5.7206 5.7206 5.9609 5.9609 5.9956 5.9956 6.0033 6.0033 6.1817 6.1817 6.3246 6.3246 7.8981 7.8981 7.9927 7.9927 8.4542 8.4542 8.5316 8.5316 9.0731 9.0731 10.4285 10.4285 10.6156 10.6156 10.9158 10.9158 11.5966 11.5966 11.6314 11.6315 k = 0.0523 0.0906-0.0000 ( 4257 PWs) bands (ev): -31.9889 -31.9889 -31.9836 -31.9836 -13.2875 -13.2875 -13.2515 -13.2515 -12.9353 -12.9353 -12.8766 -12.8766 -12.8722 -12.8722 -12.8622 -12.8622 -2.6404 -2.6404 -2.0701 -2.0701 4.5099 4.5099 4.7692 4.7692 4.8748 4.8748 4.9255 4.9255 5.0648 5.0648 5.7187 5.7187 5.9655 5.9655 5.9936 5.9936 6.0036 6.0036 6.1779 6.1779 6.3248 6.3248 7.8956 7.8956 8.0958 8.0958 8.5165 8.5165 8.6341 8.6341 9.1569 9.1569 10.4233 10.4233 10.5708 10.5708 10.8201 10.8201 11.5325 11.5325 11.6490 11.6552 k = 0.0458 0.0792-0.0000 ( 4261 PWs) bands (ev): -31.9890 -31.9890 -31.9837 -31.9837 -13.2874 -13.2874 -13.2510 -13.2510 -12.9352 -12.9352 -12.8762 -12.8762 -12.8716 -12.8716 -12.8615 -12.8615 -2.6554 -2.6554 -2.0776 -2.0776 4.4952 4.4952 4.7765 4.7765 4.8728 4.8728 4.9385 4.9385 5.0622 5.0622 5.7168 5.7168 5.9693 5.9693 5.9916 5.9916 6.0044 6.0044 6.1747 6.1747 6.3251 6.3251 7.8933 7.8933 8.1968 8.1968 8.5505 8.5505 8.7624 8.7624 9.2370 9.2370 10.4144 10.4144 10.5253 10.5253 10.7240 10.7240 11.4400 11.4400 11.5371 11.5371 k = 0.0392 0.0679-0.0000 ( 4263 PWs) bands (ev): -31.9890 -31.9890 -31.9838 -31.9838 -13.2873 -13.2873 -13.2506 -13.2506 -12.9351 -12.9351 -12.8758 -12.8758 -12.8710 -12.8710 -12.8609 -12.8609 -2.6686 -2.6686 -2.0842 -2.0842 4.4824 4.4824 4.7819 4.7819 4.8709 4.8709 4.9496 4.9496 5.0612 5.0612 5.7150 5.7150 5.9722 5.9722 5.9898 5.9898 6.0056 6.0056 6.1721 6.1721 6.3254 6.3254 7.8913 7.8913 8.2937 8.2937 8.5758 8.5758 8.8964 8.8964 9.3123 9.3123 10.3940 10.3940 10.4845 10.4845 10.6298 10.6298 11.3548 11.3548 11.4177 11.4177 k = 0.0327 0.0566-0.0000 ( 4267 PWs) bands (ev): -31.9891 -31.9891 -31.9839 -31.9839 -13.2872 -13.2872 -13.2502 -13.2502 -12.9351 -12.9351 -12.8756 -12.8756 -12.8704 -12.8704 -12.8604 -12.8604 -2.6797 -2.6797 -2.0898 -2.0898 4.4713 4.4713 4.7855 4.7855 4.8698 4.8698 4.9581 4.9581 5.0617 5.0617 5.7134 5.7134 5.9743 5.9743 5.9882 5.9882 6.0072 6.0072 6.1699 6.1699 6.3257 6.3257 7.8895 7.8895 8.3845 8.3845 8.5959 8.5959 9.0318 9.0318 9.3814 9.3814 10.3489 10.3489 10.4594 10.4594 10.5402 10.5402 11.2782 11.2782 11.3137 11.3137 k = 0.0261 0.0453-0.0000 ( 4255 PWs) bands (ev): -31.9891 -31.9891 -31.9839 -31.9839 -13.2871 -13.2871 -13.2499 -13.2499 -12.9349 -12.9349 -12.8754 -12.8754 -12.8699 -12.8699 -12.8599 -12.8599 -2.6889 -2.6889 -2.0944 -2.0944 4.4622 4.4622 4.7878 4.7878 4.8696 4.8696 4.9639 4.9639 5.0634 5.0634 5.7121 5.7121 5.9757 5.9757 5.9869 5.9869 6.0088 6.0088 6.1683 6.1683 6.3260 6.3260 7.8880 7.8880 8.4664 8.4664 8.6119 8.6119 9.1660 9.1660 9.4428 9.4428 10.2794 10.2794 10.4483 10.4483 10.4583 10.4583 11.2117 11.2117 11.2280 11.2280 k = 0.0196 0.0340-0.0000 ( 4259 PWs) bands (ev): -31.9892 -31.9892 -31.9839 -31.9839 -13.2870 -13.2870 -13.2496 -13.2496 -12.9349 -12.9349 -12.8753 -12.8753 -12.8694 -12.8694 -12.8596 -12.8596 -2.6961 -2.6961 -2.0980 -2.0980 4.4551 4.4551 4.7889 4.7889 4.8699 4.8699 4.9677 4.9677 5.0655 5.0655 5.7110 5.7110 5.9766 5.9766 5.9858 5.9858 6.0103 6.0103 6.1670 6.1670 6.3263 6.3263 7.8868 7.8868 8.5358 8.5358 8.6245 8.6245 9.2951 9.2951 9.4952 9.4952 10.1951 10.1951 10.3882 10.3882 10.4430 10.4430 11.1568 11.1568 11.1623 11.1623 k = 0.0131 0.0226-0.0000 ( 4263 PWs) bands (ev): -31.9892 -31.9892 -31.9840 -31.9840 -13.2870 -13.2870 -13.2495 -13.2495 -12.9349 -12.9349 -12.8753 -12.8753 -12.8691 -12.8691 -12.8593 -12.8593 -2.7012 -2.7012 -2.1006 -2.1006 4.4500 4.4500 4.7894 4.7894 4.8703 4.8703 4.9699 4.9699 5.0674 5.0674 5.7101 5.7101 5.9772 5.9772 5.9850 5.9850 6.0115 6.0115 6.1661 6.1661 6.3265 6.3265 7.8860 7.8860 8.5880 8.5880 8.6348 8.6348 9.4109 9.4109 9.5389 9.5389 10.1050 10.1050 10.3338 10.3338 10.4402 10.4402 11.1142 11.1142 11.1178 11.1178 k = 0.0065 0.0113-0.0000 ( 4263 PWs) bands (ev): -31.9892 -31.9892 -31.9840 -31.9840 -13.2870 -13.2870 -13.2494 -13.2494 -12.9348 -12.9348 -12.8752 -12.8752 -12.8690 -12.8690 -12.8592 -12.8592 -2.7043 -2.7043 -2.1021 -2.1021 4.4469 4.4469 4.7896 4.7896 4.8707 4.8707 4.9710 4.9710 5.0688 5.0688 5.7096 5.7096 5.9775 5.9775 5.9845 5.9845 6.0123 6.0123 6.1656 6.1656 6.3266 6.3266 7.8855 7.8855 8.6172 8.6172 8.6450 8.6450 9.4924 9.4924 9.5790 9.5790 10.0251 10.0251 10.2991 10.2991 10.4387 10.4387 11.0872 11.0872 11.0924 11.0924 k = 0.0000 0.0000 0.0000 ( 4251 PWs) bands (ev): -31.9892 -31.9892 -31.9840 -31.9840 -13.2870 -13.2870 -13.2493 -13.2493 -12.9348 -12.9348 -12.8751 -12.8751 -12.8689 -12.8689 -12.8591 -12.8591 -2.7053 -2.7053 -2.1026 -2.1026 4.4459 4.4459 4.7897 4.7897 4.8709 4.8709 4.9714 4.9714 5.0693 5.0693 5.7095 5.7095 5.9776 5.9776 5.9845 5.9845 6.0126 6.0126 6.1655 6.1655 6.3267 6.3267 7.8853 7.8853 8.6246 8.6246 8.6510 8.6510 9.5181 9.5181 9.6032 9.6032 9.9892 9.9892 10.2872 10.2872 10.4384 10.4384 11.0781 11.0781 11.0839 11.0839 k = 0.0000 0.0000 0.0000 ( 4251 PWs) bands (ev): -31.9892 -31.9892 -31.9840 -31.9840 -13.2870 -13.2870 -13.2493 -13.2493 -12.9348 -12.9348 -12.8751 -12.8751 -12.8689 -12.8689 -12.8591 -12.8591 -2.7053 -2.7053 -2.1026 -2.1026 4.4459 4.4459 4.7897 4.7897 4.8709 4.8709 4.9714 4.9714 5.0693 5.0693 5.7095 5.7095 5.9776 5.9776 5.9845 5.9845 6.0126 6.0126 6.1655 6.1655 6.3267 6.3267 7.8853 7.8853 8.6246 8.6246 8.6510 8.6510 9.5181 9.5181 9.6032 9.6032 9.9892 9.9892 10.2872 10.2872 10.4384 10.4384 11.0781 11.0781 11.0839 11.0839 k = 0.0000 0.0000 0.0133 ( 4263 PWs) bands (ev): -31.9892 -31.9892 -31.9840 -31.9840 -13.2869 -13.2869 -13.2494 -13.2494 -12.9347 -12.9347 -12.8753 -12.8753 -12.8689 -12.8689 -12.8592 -12.8592 -2.7045 -2.7045 -2.1037 -2.1037 4.4484 4.4484 4.7900 4.7900 4.8712 4.8712 4.9711 4.9711 5.0690 5.0690 5.7088 5.7088 5.9773 5.9773 5.9843 5.9843 6.0128 6.0128 6.1652 6.1652 6.3271 6.3271 7.8773 7.8773 8.6256 8.6256 8.6521 8.6521 9.5157 9.5157 9.6007 9.6007 9.9954 9.9954 10.2874 10.2874 10.4425 10.4425 11.0796 11.0796 11.0854 11.0854 k = 0.0000 0.0000 0.0266 ( 4286 PWs) bands (ev): -31.9892 -31.9892 -31.9840 -31.9840 -13.2868 -13.2868 -13.2495 -13.2495 -12.9347 -12.9347 -12.8756 -12.8756 -12.8688 -12.8688 -12.8592 -12.8592 -2.7021 -2.7021 -2.1069 -2.1069 4.4561 4.4561 4.7908 4.7908 4.8722 4.8722 4.9702 4.9702 5.0680 5.0680 5.7066 5.7066 5.9764 5.9764 5.9842 5.9842 6.0132 6.0132 6.1643 6.1643 6.3287 6.3287 7.8536 7.8536 8.6286 8.6286 8.6552 8.6552 9.5085 9.5085 9.5934 9.5934 10.0131 10.0131 10.2878 10.2878 10.4557 10.4557 11.0839 11.0839 11.0898 11.0898 k = 0.0000 0.0000 0.0400 ( 4286 PWs) bands (ev): -31.9891 -31.9891 -31.9841 -31.9841 -13.2865 -13.2865 -13.2497 -13.2497 -12.9343 -12.9343 -12.8762 -12.8762 -12.8688 -12.8688 -12.8593 -12.8593 -2.6980 -2.6980 -2.1122 -2.1122 4.4687 4.4687 4.7921 4.7921 4.8738 4.8738 4.9688 4.9688 5.0663 5.0663 5.7032 5.7032 5.9753 5.9753 5.9841 5.9841 6.0143 6.0143 6.1630 6.1630 6.3314 6.3314 7.8156 7.8156 8.6335 8.6335 8.6604 8.6604 9.4969 9.4969 9.5813 9.5813 10.0396 10.0396 10.2886 10.2886 10.4789 10.4789 11.0912 11.0912 11.0973 11.0973 k = 0.0000 0.0000 0.0533 ( 4286 PWs) bands (ev): -31.9891 -31.9891 -31.9841 -31.9841 -13.2860 -13.2860 -13.2501 -13.2501 -12.9338 -12.9338 -12.8769 -12.8769 -12.8686 -12.8686 -12.8594 -12.8594 -2.6923 -2.6923 -2.1195 -2.1195 4.4863 4.4863 4.7940 4.7940 4.8760 4.8760 4.9668 4.9668 5.0640 5.0640 5.6982 5.6982 5.9737 5.9737 5.9839 5.9839 6.0158 6.0158 6.1612 6.1612 6.3353 6.3353 7.7652 7.7652 8.6403 8.6403 8.6676 8.6676 9.4812 9.4812 9.5649 9.5649 10.0713 10.0713 10.2896 10.2896 10.5139 10.5139 11.1015 11.1015 11.1078 11.1078 k = 0.0000 0.0000 0.0666 ( 4280 PWs) bands (ev): -31.9890 -31.9890 -31.9842 -31.9842 -13.2853 -13.2853 -13.2505 -13.2505 -12.9330 -12.9330 -12.8779 -12.8779 -12.8685 -12.8685 -12.8595 -12.8595 -2.6850 -2.6850 -2.1288 -2.1288 4.5087 4.5087 4.7965 4.7965 4.8789 4.8789 4.9643 4.9643 5.0611 5.0611 5.6915 5.6915 5.9719 5.9719 5.9836 5.9836 6.0178 6.0178 6.1590 6.1590 6.3403 6.3403 7.7046 7.7046 8.6491 8.6491 8.6769 8.6769 9.4619 9.4619 9.5444 9.5444 10.1040 10.1040 10.2908 10.2908 10.5623 10.5623 11.1147 11.1147 11.1213 11.1213 k = 0.0000 0.0000 0.0799 ( 4280 PWs) bands (ev): -31.9889 -31.9889 -31.9843 -31.9843 -13.2846 -13.2846 -13.2510 -13.2510 -12.9322 -12.9322 -12.8790 -12.8790 -12.8683 -12.8683 -12.8597 -12.8597 -2.6761 -2.6761 -2.1401 -2.1401 4.5357 4.5357 4.7994 4.7994 4.8825 4.8825 4.9612 4.9612 5.0576 5.0576 5.6829 5.6829 5.9698 5.9698 5.9832 5.9832 6.0201 6.0201 6.1562 6.1562 6.3467 6.3467 7.6360 7.6360 8.6598 8.6598 8.6882 8.6882 9.4393 9.4393 9.5203 9.5203 10.1347 10.1347 10.2922 10.2922 10.6250 10.6250 11.1309 11.1309 11.1377 11.1377 k = 0.0000 0.0000 0.0932 ( 4274 PWs) bands (ev): -31.9888 -31.9888 -31.9844 -31.9844 -13.2837 -13.2837 -13.2515 -13.2515 -12.9312 -12.9312 -12.8803 -12.8803 -12.8681 -12.8681 -12.8599 -12.8599 -2.6658 -2.6658 -2.1531 -2.1531 4.5672 4.5672 4.8028 4.8028 4.8866 4.8866 4.9577 4.9577 5.0535 5.0535 5.6723 5.6723 5.9677 5.9677 5.9826 5.9826 6.0228 6.0228 6.1530 6.1530 6.3545 6.3545 7.5617 7.5617 8.6723 8.6723 8.7015 8.7015 9.4139 9.4139 9.4930 9.4930 10.1615 10.1615 10.2938 10.2938 10.7016 10.7016 11.1499 11.1499 11.1572 11.1572 k = 0.0000 0.0000 0.1066 ( 4262 PWs) bands (ev): -31.9887 -31.9887 -31.9845 -31.9845 -13.2827 -13.2827 -13.2522 -13.2522 -12.9300 -12.9300 -12.8818 -12.8818 -12.8679 -12.8679 -12.8600 -12.8600 -2.6539 -2.6539 -2.1678 -2.1678 4.6027 4.6027 4.8068 4.8068 4.8916 4.8916 4.9536 4.9536 5.0489 5.0489 5.6592 5.6592 5.9656 5.9656 5.9819 5.9819 6.0260 6.0260 6.1493 6.1493 6.3638 6.3638 7.4835 7.4835 8.6867 8.6867 8.7167 8.7167 9.3861 9.3861 9.4630 9.4630 10.1843 10.1843 10.2955 10.2955 10.7903 10.7903 11.1719 11.1719 11.1796 11.1796 k = 0.0000 0.0000 0.1199 ( 4250 PWs) bands (ev): -31.9886 -31.9886 -31.9846 -31.9846 -13.2815 -13.2815 -13.2530 -13.2530 -12.9287 -12.9287 -12.8834 -12.8834 -12.8677 -12.8677 -12.8602 -12.8602 -2.6407 -2.6407 -2.1840 -2.1840 4.6420 4.6420 4.8111 4.8111 4.8971 4.8971 4.9491 4.9491 5.0437 5.0437 5.6434 5.6434 5.9636 5.9636 5.9811 5.9811 6.0295 6.0295 6.1453 6.1453 6.3748 6.3748 7.4030 7.4030 8.7029 8.7029 8.7338 8.7338 9.3562 9.3562 9.4309 9.4309 10.2034 10.2034 10.2972 10.2972 10.8891 10.8891 11.1969 11.1969 11.2050 11.2050 k = 0.0000 0.0000 0.1332 ( 4250 PWs) bands (ev): -31.9884 -31.9884 -31.9847 -31.9847 -13.2804 -13.2804 -13.2538 -13.2538 -12.9273 -12.9273 -12.8852 -12.8852 -12.8674 -12.8674 -12.8604 -12.8604 -2.6261 -2.6261 -2.2017 -2.2017 4.6847 4.6847 4.8159 4.8159 4.9035 4.9035 4.9442 4.9442 5.0380 5.0380 5.6246 5.6246 5.9617 5.9617 5.9801 5.9801 6.0333 6.0333 6.1409 6.1409 6.3875 6.3875 7.3217 7.3217 8.7209 8.7209 8.7528 8.7528 9.3246 9.3246 9.3969 9.3969 10.2194 10.2194 10.2990 10.2990 10.9957 10.9957 11.2247 11.2247 11.2334 11.2334 k = 0.0000 0.0000 0.1465 ( 4250 PWs) bands (ev): -31.9883 -31.9883 -31.9849 -31.9849 -13.2791 -13.2791 -13.2548 -13.2548 -12.9258 -12.9258 -12.8871 -12.8871 -12.8671 -12.8671 -12.8607 -12.8607 -2.6102 -2.6102 -2.2206 -2.2206 4.7301 4.7301 4.8210 4.8210 4.9108 4.9108 4.9389 4.9389 5.0319 5.0319 5.6025 5.6025 5.9601 5.9601 5.9790 5.9790 6.0374 6.0374 6.1362 6.1362 6.4022 6.4022 7.2409 7.2409 8.7405 8.7405 8.7736 8.7736 9.2918 9.2918 9.3615 9.3615 10.2332 10.2332 10.3006 10.3006 11.1081 11.1081 11.2554 11.2554 11.2646 11.2646 k = 0.0000 0.0000 0.1598 ( 4250 PWs) bands (ev): -31.9881 -31.9881 -31.9850 -31.9850 -13.2778 -13.2778 -13.2557 -13.2557 -12.9242 -12.9242 -12.8892 -12.8892 -12.8668 -12.8668 -12.8610 -12.8610 -2.5931 -2.5931 -2.2407 -2.2407 4.7774 4.7774 4.8265 4.8265 4.9197 4.9197 4.9332 4.9332 5.0253 5.0253 5.5769 5.5769 5.9589 5.9589 5.9776 5.9776 6.0418 6.0418 6.1312 6.1312 6.4190 6.4190 7.1616 7.1616 8.7618 8.7618 8.7961 8.7961 9.2579 9.2579 9.3251 9.3251 10.2451 10.2451 10.3020 10.3020 11.2247 11.2247 11.2890 11.2890 11.2989 11.2989 k = 0.0000 0.0000 0.1731 ( 4250 PWs) bands (ev): -31.9880 -31.9880 -31.9852 -31.9852 -13.2764 -13.2764 -13.2568 -13.2568 -12.9224 -12.9224 -12.8913 -12.8913 -12.8665 -12.8665 -12.8614 -12.8614 -2.5748 -2.5748 -2.2618 -2.2618 4.8247 4.8247 4.8324 4.8324 4.9272 4.9272 4.9314 4.9314 5.0184 5.0184 5.5476 5.5476 5.9580 5.9580 5.9761 5.9761 6.0465 6.0465 6.1259 6.1259 6.4382 6.4382 7.0847 7.0847 8.7846 8.7846 8.8204 8.8204 9.2234 9.2234 9.2881 9.2881 10.2554 10.2554 10.3033 10.3033 11.3255 11.3255 11.3360 11.3360 11.3440 11.3440 k = 0.0000 0.0000 0.1865 ( 4256 PWs) bands (ev): -31.9878 -31.9878 -31.9854 -31.9854 -13.2751 -13.2751 -13.2580 -13.2580 -12.9206 -12.9206 -12.8935 -12.8935 -12.8662 -12.8662 -12.8617 -12.8617 -2.5555 -2.5555 -2.2837 -2.2837 4.8385 4.8385 4.8680 4.8680 4.9209 4.9209 4.9495 4.9495 5.0111 5.0111 5.5145 5.5145 5.9577 5.9577 5.9744 5.9744 6.0514 6.0514 6.1204 6.1204 6.4598 6.4598 7.0110 7.0110 8.8090 8.8090 8.8462 8.8462 9.1885 9.1885 9.2506 9.2506 10.2646 10.2646 10.3042 10.3042 11.3649 11.3649 11.3760 11.3760 11.4648 11.4648 k = 0.0000 0.0000 0.1998 ( 4250 PWs) bands (ev): -31.9876 -31.9876 -31.9856 -31.9856 -13.2736 -13.2736 -13.2592 -13.2592 -12.9186 -12.9186 -12.8958 -12.8958 -12.8658 -12.8658 -12.8620 -12.8620 -2.5353 -2.5353 -2.3063 -2.3063 4.8449 4.8449 4.8999 4.8999 4.9144 4.9144 4.9809 4.9809 5.0036 5.0036 5.4775 5.4775 5.9577 5.9577 5.9727 5.9727 6.0566 6.0566 6.1148 6.1148 6.4843 6.4843 6.9411 6.9411 8.8349 8.8349 8.8737 8.8737 9.1535 9.1535 9.2131 9.2131 10.2726 10.2726 10.3046 10.3046 11.4071 11.4071 11.4190 11.4190 11.5860 11.5860 k = 0.0000 0.0000 0.2131 ( 4256 PWs) bands (ev): -31.9874 -31.9874 -31.9858 -31.9858 -13.2721 -13.2721 -13.2605 -13.2605 -12.9165 -12.9165 -12.8981 -12.8981 -12.8655 -12.8655 -12.8624 -12.8624 -2.5142 -2.5142 -2.3293 -2.3293 4.8515 4.8515 4.9076 4.9076 4.9194 4.9194 4.9957 4.9957 5.0260 5.0260 5.4368 5.4368 5.9581 5.9581 5.9708 5.9708 6.0620 6.0620 6.1090 6.1090 6.5119 6.5119 6.8754 6.8754 8.8621 8.8621 8.9026 8.9026 9.1186 9.1186 9.1757 9.1757 10.2796 10.2796 10.3046 10.3046 11.4522 11.4522 11.4648 11.4648 11.7063 11.7063 k = 0.0000 0.0000 0.2264 ( 4268 PWs) bands (ev): -31.9872 -31.9872 -31.9860 -31.9860 -13.2706 -13.2706 -13.2618 -13.2618 -12.9144 -12.9144 -12.9005 -12.9005 -12.8651 -12.8651 -12.8628 -12.8628 -2.4924 -2.4924 -2.3528 -2.3528 4.8583 4.8583 4.9007 4.9007 4.9326 4.9326 4.9876 4.9876 5.0781 5.0781 5.3925 5.3925 5.9590 5.9590 5.9687 5.9687 6.0676 6.0676 6.1030 6.1030 6.5428 6.5428 6.8141 6.8141 8.8907 8.8907 8.9329 8.9329 9.0839 9.0839 9.1386 9.1386 10.2856 10.2856 10.3041 10.3041 11.5000 11.5000 11.5134 11.5134 11.8174 11.8174 k = 0.0000 0.0000 0.2397 ( 4286 PWs) bands (ev): -31.9870 -31.9870 -31.9862 -31.9862 -13.2691 -13.2691 -13.2633 -13.2633 -12.9122 -12.9122 -12.9029 -12.9029 -12.8648 -12.8648 -12.8632 -12.8632 -2.4699 -2.4699 -2.3764 -2.3764 4.8652 4.8652 4.8936 4.8936 4.9432 4.9432 4.9792 4.9792 5.1327 5.1327 5.3450 5.3450 5.9601 5.9601 5.9668 5.9668 6.0732 6.0732 6.0970 6.0970 6.5773 6.5773 6.7576 6.7576 8.9205 8.9205 8.9645 8.9645 9.0496 9.0496 9.1021 9.1021 10.2907 10.2907 10.3029 10.3029 11.5506 11.5506 11.5647 11.5647 11.7790 11.7790 k = 0.0000 0.0000 0.2531 ( 4286 PWs) bands (ev): -31.9868 -31.9868 -31.9864 -31.9864 -13.2677 -13.2677 -13.2647 -13.2647 -12.9100 -12.9100 -12.9053 -12.9053 -12.8644 -12.8644 -12.8636 -12.8636 -2.4469 -2.4469 -2.4000 -2.4000 4.8723 4.8723 4.8865 4.8865 4.9528 4.9528 4.9706 4.9706 5.1878 5.1878 5.2947 5.2947 5.9615 5.9615 5.9649 5.9649 6.0791 6.0791 6.0910 6.0910 6.6159 6.6159 6.7058 6.7058 8.9514 8.9514 8.9974 8.9974 9.0161 9.0161 9.0663 9.0663 10.2950 10.2950 10.3010 10.3010 11.6039 11.6039 11.6189 11.6189 11.7185 11.7185 k = 0.0000 0.0000 0.2664 ( 4280 PWs) bands (ev): -31.9866 -31.9866 -31.9866 -31.9866 -13.2661 -13.2661 -13.2661 -13.2661 -12.9076 -12.9076 -12.9076 -12.9076 -12.8640 -12.8640 -12.8640 -12.8640 -2.4236 -2.4236 -2.4236 -2.4236 4.8794 4.8794 4.8794 4.8794 4.9619 4.9619 4.9619 4.9619 5.2420 5.2420 5.2420 5.2420 5.9631 5.9631 5.9631 5.9631 6.0850 6.0850 6.0850 6.0850 6.6586 6.6586 6.6586 6.6586 8.9833 8.9833 8.9833 8.9833 9.0313 9.0313 9.0313 9.0313 10.2984 10.2984 10.2984 10.2984 11.6600 11.6600 11.6600 11.6600 11.6758 11.6758 k = 0.0000 0.0000 0.2664 ( 4280 PWs) bands (ev): -31.9866 -31.9866 -31.9866 -31.9866 -13.2661 -13.2661 -13.2661 -13.2661 -12.9076 -12.9076 -12.9076 -12.9076 -12.8640 -12.8640 -12.8640 -12.8640 -2.4236 -2.4236 -2.4236 -2.4236 4.8794 4.8794 4.8794 4.8794 4.9619 4.9619 4.9619 4.9619 5.2420 5.2420 5.2420 5.2420 5.9631 5.9631 5.9631 5.9631 6.0850 6.0850 6.0850 6.0850 6.6586 6.6586 6.6586 6.6586 8.9833 8.9833 8.9833 8.9833 9.0313 9.0313 9.0313 9.0313 10.2984 10.2984 10.2984 10.2984 11.6600 11.6600 11.6600 11.6602 11.6758 11.6758 k = 0.0114 0.0066 0.2664 ( 4274 PWs) bands (ev): -31.9866 -31.9866 -31.9866 -31.9866 -13.2661 -13.2661 -13.2661 -13.2661 -12.9076 -12.9076 -12.9076 -12.9076 -12.8640 -12.8640 -12.8640 -12.8640 -2.4228 -2.4228 -2.4228 -2.4228 4.8788 4.8788 4.8788 4.8788 4.9612 4.9612 4.9612 4.9612 5.2428 5.2428 5.2428 5.2428 5.9632 5.9632 5.9632 5.9632 6.0852 6.0852 6.0852 6.0852 6.6594 6.6594 6.6594 6.6594 8.9742 8.9742 8.9742 8.9742 9.0229 9.0229 9.0229 9.0229 10.3115 10.3115 10.3115 10.3115 11.6580 11.6580 11.6580 11.6581 11.6749 11.6749 k = 0.0227 0.0131 0.2664 ( 4274 PWs) bands (ev): -31.9866 -31.9866 -31.9866 -31.9866 -13.2662 -13.2662 -13.2662 -13.2662 -12.9077 -12.9077 -12.9077 -12.9077 -12.8642 -12.8642 -12.8642 -12.8642 -2.4203 -2.4203 -2.4203 -2.4203 4.8770 4.8770 4.8770 4.8770 4.9593 4.9593 4.9593 4.9593 5.2450 5.2450 5.2450 5.2450 5.9635 5.9635 5.9635 5.9635 6.0857 6.0857 6.0857 6.0857 6.6618 6.6618 6.6618 6.6618 8.9420 8.9420 8.9420 8.9420 9.0045 9.0045 9.0045 9.0045 10.3488 10.3488 10.3488 10.3488 11.6481 11.6481 11.6481 11.6482 11.6768 11.6768 k = 0.0341 0.0197 0.2664 ( 4266 PWs) bands (ev): -31.9866 -31.9866 -31.9866 -31.9866 -13.2663 -13.2663 -13.2663 -13.2663 -12.9077 -12.9077 -12.9077 -12.9077 -12.8645 -12.8645 -12.8645 -12.8645 -2.4163 -2.4163 -2.4163 -2.4163 4.8733 4.8733 4.8733 4.8733 4.9569 4.9569 4.9569 4.9569 5.2486 5.2486 5.2486 5.2486 5.9639 5.9639 5.9639 5.9639 6.0866 6.0866 6.0866 6.0866 6.6659 6.6659 6.6659 6.6659 8.8835 8.8835 8.8835 8.8835 8.9839 8.9839 8.9839 8.9839 10.4054 10.4054 10.4054 10.4054 11.6298 11.6298 11.6298 11.6298 11.6838 11.6838 k = 0.0455 0.0262 0.2664 ( 4264 PWs) bands (ev): -31.9865 -31.9865 -31.9865 -31.9865 -13.2665 -13.2665 -13.2665 -13.2665 -12.9078 -12.9078 -12.9078 -12.9078 -12.8648 -12.8648 -12.8648 -12.8648 -2.4106 -2.4106 -2.4106 -2.4106 4.8671 4.8671 4.8671 4.8671 4.9548 4.9548 4.9548 4.9548 5.2532 5.2532 5.2532 5.2532 5.9645 5.9645 5.9645 5.9645 6.0878 6.0878 6.0878 6.0878 6.6715 6.6715 6.6715 6.6715 8.8052 8.8052 8.8052 8.8052 8.9602 8.9602 8.9602 8.9602 10.4753 10.4753 10.4753 10.4753 11.6066 11.6066 11.6067 11.6067 11.6947 11.6947 k = 0.0568 0.0328 0.2664 ( 4274 PWs) bands (ev): -31.9865 -31.9865 -31.9865 -31.9865 -13.2667 -13.2667 -13.2667 -13.2667 -12.9079 -12.9079 -12.9079 -12.9079 -12.8654 -12.8654 -12.8654 -12.8654 -2.4033 -2.4033 -2.4033 -2.4033 4.8576 4.8576 4.8576 4.8576 4.9539 4.9539 4.9539 4.9539 5.2587 5.2587 5.2587 5.2587 5.9652 5.9652 5.9652 5.9652 6.0892 6.0892 6.0892 6.0892 6.6787 6.6787 6.6787 6.6787 8.7135 8.7135 8.7135 8.7135 8.9321 8.9321 8.9321 8.9321 10.5524 10.5524 10.5524 10.5524 11.5818 11.5818 11.5818 11.5818 11.7087 11.7087 k = 0.0682 0.0394 0.2664 ( 4274 PWs) bands (ev): -31.9864 -31.9864 -31.9864 -31.9864 -13.2669 -13.2669 -13.2669 -13.2669 -12.9080 -12.9080 -12.9080 -12.9080 -12.8660 -12.8660 -12.8660 -12.8660 -2.3945 -2.3945 -2.3945 -2.3945 4.8447 4.8447 4.8447 4.8447 4.9549 4.9549 4.9549 4.9549 5.2649 5.2649 5.2649 5.2649 5.9660 5.9660 5.9660 5.9660 6.0910 6.0910 6.0910 6.0910 6.6875 6.6875 6.6875 6.6875 8.6130 8.6130 8.6130 8.6130 8.8992 8.8992 8.8992 8.8992 10.6313 10.6313 10.6313 10.6313 11.5582 11.5582 11.5582 11.5582 11.7257 11.7257 k = 0.0795 0.0459 0.2664 ( 4270 PWs) bands (ev): -31.9863 -31.9863 -31.9863 -31.9863 -13.2672 -13.2672 -13.2672 -13.2672 -12.9081 -12.9081 -12.9081 -12.9081 -12.8667 -12.8667 -12.8667 -12.8667 -2.3841 -2.3841 -2.3841 -2.3841 4.8283 4.8283 4.8283 4.8283 4.9579 4.9579 4.9579 4.9579 5.2715 5.2715 5.2715 5.2715 5.9670 5.9670 5.9670 5.9670 6.0931 6.0931 6.0931 6.0931 6.6978 6.6978 6.6978 6.6978 8.5068 8.5068 8.5068 8.5068 8.8618 8.8618 8.8618 8.8618 10.7066 10.7066 10.7066 10.7066 11.5390 11.5390 11.5390 11.5390 11.7453 11.7453 k = 0.0909 0.0525 0.2664 ( 4274 PWs) bands (ev): -31.9863 -31.9863 -31.9863 -31.9863 -13.2675 -13.2675 -13.2675 -13.2675 -12.9083 -12.9083 -12.9083 -12.9083 -12.8675 -12.8675 -12.8675 -12.8675 -2.3722 -2.3722 -2.3722 -2.3722 4.8087 4.8087 4.8087 4.8087 4.9628 4.9628 4.9628 4.9628 5.2784 5.2784 5.2784 5.2784 5.9680 5.9680 5.9680 5.9680 6.0955 6.0955 6.0955 6.0955 6.7096 6.7096 6.7096 6.7096 8.3970 8.3970 8.3970 8.3970 8.8202 8.8202 8.8202 8.8202 10.7727 10.7727 10.7727 10.7727 11.5277 11.5277 11.5277 11.5277 11.7674 11.7674 k = 0.1023 0.0590 0.2664 ( 4268 PWs) bands (ev): -31.9862 -31.9862 -31.9862 -31.9862 -13.2679 -13.2679 -13.2679 -13.2679 -12.9085 -12.9085 -12.9085 -12.9085 -12.8683 -12.8683 -12.8683 -12.8683 -2.3588 -2.3588 -2.3588 -2.3588 4.7863 4.7863 4.7863 4.7863 4.9694 4.9694 4.9694 4.9694 5.2854 5.2854 5.2854 5.2854 5.9690 5.9690 5.9690 5.9690 6.0982 6.0982 6.0982 6.0982 6.7230 6.7230 6.7230 6.7230 8.2855 8.2855 8.2855 8.2855 8.7747 8.7747 8.7747 8.7747 10.8243 10.8243 10.8243 10.8243 11.5278 11.5278 11.5278 11.5278 11.7918 11.7918 k = 0.1136 0.0656 0.2664 ( 4266 PWs) bands (ev): -31.9861 -31.9861 -31.9861 -31.9861 -13.2682 -13.2682 -13.2682 -13.2682 -12.9087 -12.9087 -12.9087 -12.9087 -12.8693 -12.8693 -12.8693 -12.8693 -2.3439 -2.3439 -2.3439 -2.3439 4.7614 4.7614 4.7614 4.7614 4.9775 4.9775 4.9775 4.9775 5.2923 5.2923 5.2923 5.2923 5.9701 5.9701 5.9701 5.9701 6.1011 6.1011 6.1011 6.1011 6.7376 6.7376 6.7376 6.7376 8.1735 8.1735 8.1735 8.1735 8.7257 8.7257 8.7257 8.7257 10.8570 10.8570 10.8570 10.8570 11.5410 11.5410 11.5410 11.5410 11.8184 11.8184 k = 0.1250 0.0722 0.2664 ( 4270 PWs) bands (ev): -31.9860 -31.9860 -31.9860 -31.9860 -13.2687 -13.2687 -13.2687 -13.2687 -12.9089 -12.9089 -12.9089 -12.9089 -12.8703 -12.8703 -12.8703 -12.8703 -2.3277 -2.3277 -2.3277 -2.3277 4.7342 4.7342 4.7342 4.7342 4.9869 4.9869 4.9869 4.9869 5.2992 5.2992 5.2992 5.2992 5.9712 5.9712 5.9712 5.9712 6.1042 6.1042 6.1042 6.1042 6.7536 6.7536 6.7536 6.7536 8.0619 8.0619 8.0619 8.0619 8.6737 8.6737 8.6737 8.6737 10.8694 10.8694 10.8694 10.8694 11.5658 11.5658 11.5658 11.5658 11.8470 11.8470 k = 0.1364 0.0787 0.2664 ( 4262 PWs) bands (ev): -31.9859 -31.9859 -31.9859 -31.9859 -13.2692 -13.2692 -13.2692 -13.2692 -12.9092 -12.9092 -12.9092 -12.9092 -12.8714 -12.8714 -12.8714 -12.8714 -2.3101 -2.3101 -2.3101 -2.3101 4.7050 4.7050 4.7050 4.7050 4.9977 4.9977 4.9977 4.9977 5.3058 5.3058 5.3058 5.3058 5.9722 5.9722 5.9722 5.9722 6.1075 6.1075 6.1075 6.1075 6.7707 6.7707 6.7707 6.7707 7.9517 7.9517 7.9517 7.9517 8.6190 8.6190 8.6190 8.6190 10.8631 10.8631 10.8631 10.8631 11.5960 11.5960 11.5960 11.5960 11.8774 11.8774 k = 0.1477 0.0853 0.2664 ( 4266 PWs) bands (ev): -31.9858 -31.9858 -31.9858 -31.9858 -13.2697 -13.2697 -13.2697 -13.2697 -12.9095 -12.9095 -12.9095 -12.9095 -12.8725 -12.8725 -12.8725 -12.8725 -2.2913 -2.2913 -2.2913 -2.2913 4.6739 4.6739 4.6739 4.6739 5.0094 5.0094 5.0094 5.0094 5.3121 5.3121 5.3121 5.3121 5.9733 5.9733 5.9733 5.9733 6.1109 6.1109 6.1109 6.1109 6.7886 6.7886 6.7886 6.7886 7.8438 7.8438 7.8438 7.8438 8.5621 8.5621 8.5621 8.5621 10.8419 10.8419 10.8419 10.8419 11.6222 11.6222 11.6222 11.6222 11.9096 11.9097 k = 0.1591 0.0919 0.2664 ( 4266 PWs) bands (ev): -31.9856 -31.9856 -31.9856 -31.9856 -13.2702 -13.2702 -13.2702 -13.2702 -12.9098 -12.9098 -12.9098 -12.9098 -12.8737 -12.8737 -12.8737 -12.8737 -2.2712 -2.2712 -2.2712 -2.2712 4.6411 4.6411 4.6411 4.6411 5.0222 5.0222 5.0222 5.0222 5.3182 5.3182 5.3182 5.3182 5.9742 5.9742 5.9742 5.9742 6.1145 6.1145 6.1145 6.1145 6.8070 6.8070 6.8070 6.8070 7.7390 7.7390 7.7390 7.7390 8.5034 8.5034 8.5034 8.5034 10.8094 10.8094 10.8094 10.8094 11.6363 11.6363 11.6363 11.6363 11.9436 11.9436 k = 0.1705 0.0984 0.2664 ( 4270 PWs) bands (ev): -31.9855 -31.9855 -31.9855 -31.9855 -13.2708 -13.2708 -13.2708 -13.2708 -12.9102 -12.9102 -12.9102 -12.9102 -12.8749 -12.8749 -12.8749 -12.8749 -2.2500 -2.2500 -2.2500 -2.2500 4.6066 4.6066 4.6066 4.6066 5.0360 5.0360 5.0360 5.0360 5.3239 5.3239 5.3239 5.3239 5.9751 5.9751 5.9751 5.9751 6.1182 6.1182 6.1182 6.1182 6.8254 6.8254 6.8254 6.8254 7.6382 7.6382 7.6382 7.6382 8.4431 8.4431 8.4431 8.4431 10.7690 10.7690 10.7690 10.7690 11.6356 11.6356 11.6356 11.6356 11.9792 11.9792 k = 0.1818 0.1050 0.2664 ( 4266 PWs) bands (ev): -31.9854 -31.9854 -31.9854 -31.9854 -13.2714 -13.2714 -13.2714 -13.2714 -12.9106 -12.9106 -12.9106 -12.9106 -12.8761 -12.8761 -12.8761 -12.8761 -2.2277 -2.2277 -2.2277 -2.2277 4.5706 4.5706 4.5706 4.5706 5.0508 5.0508 5.0508 5.0508 5.3292 5.3292 5.3292 5.3292 5.9760 5.9760 5.9760 5.9760 6.1219 6.1219 6.1219 6.1219 6.8427 6.8427 6.8427 6.8427 7.5428 7.5428 7.5428 7.5428 8.3816 8.3816 8.3816 8.3816 10.7229 10.7229 10.7229 10.7229 11.6226 11.6226 11.6226 11.6226 12.0164 12.0164 k = 0.1932 0.1115 0.2664 ( 4270 PWs) bands (ev): -31.9852 -31.9852 -31.9852 -31.9852 -13.2720 -13.2720 -13.2720 -13.2720 -12.9110 -12.9110 -12.9110 -12.9110 -12.8773 -12.8773 -12.8773 -12.8773 -2.2044 -2.2044 -2.2044 -2.2044 4.5332 4.5332 4.5332 4.5332 5.0665 5.0665 5.0665 5.0665 5.3341 5.3341 5.3341 5.3341 5.9767 5.9767 5.9767 5.9767 6.1256 6.1256 6.1256 6.1256 6.8574 6.8574 6.8574 6.8574 7.4545 7.4545 7.4545 7.4545 8.3192 8.3192 8.3192 8.3192 10.6728 10.6728 10.6728 10.6728 11.6017 11.6017 11.6017 11.6017 12.0551 12.0551 k = 0.2045 0.1181 0.2664 ( 4266 PWs) bands (ev): -31.9851 -31.9851 -31.9851 -31.9851 -13.2727 -13.2727 -13.2727 -13.2727 -12.9115 -12.9115 -12.9115 -12.9115 -12.8785 -12.8785 -12.8785 -12.8785 -2.1801 -2.1801 -2.1801 -2.1801 4.4944 4.4944 4.4944 4.4944 5.0830 5.0830 5.0830 5.0830 5.3386 5.3386 5.3386 5.3386 5.9774 5.9774 5.9774 5.9774 6.1292 6.1292 6.1292 6.1292 6.8671 6.8671 6.8671 6.8671 7.3762 7.3762 7.3762 7.3762 8.2562 8.2562 8.2562 8.2562 10.6199 10.6199 10.6199 10.6199 11.5764 11.5764 11.5764 11.5764 12.0952 12.0952 k = 0.2159 0.1247 0.2664 ( 4258 PWs) bands (ev): -31.9849 -31.9849 -31.9849 -31.9849 -13.2733 -13.2733 -13.2733 -13.2733 -12.9120 -12.9120 -12.9120 -12.9120 -12.8797 -12.8797 -12.8797 -12.8797 -2.1551 -2.1551 -2.1551 -2.1551 4.4545 4.4545 4.4545 4.4545 5.1004 5.1004 5.1004 5.1004 5.3427 5.3427 5.3427 5.3427 5.9780 5.9780 5.9780 5.9780 6.1328 6.1328 6.1328 6.1328 6.8679 6.8679 6.8679 6.8679 7.3117 7.3117 7.3117 7.3117 8.1929 8.1929 8.1929 8.1929 10.5653 10.5653 10.5653 10.5653 11.5487 11.5487 11.5487 11.5487 12.1366 12.1366 k = 0.2273 0.1312 0.2664 ( 4252 PWs) bands (ev): -31.9848 -31.9848 -31.9848 -31.9848 -13.2740 -13.2740 -13.2740 -13.2740 -12.9125 -12.9125 -12.9125 -12.9125 -12.8809 -12.8809 -12.8809 -12.8809 -2.1294 -2.1294 -2.1294 -2.1294 4.4134 4.4134 4.4134 4.4134 5.1185 5.1185 5.1185 5.1185 5.3464 5.3464 5.3464 5.3464 5.9785 5.9785 5.9785 5.9785 6.1363 6.1363 6.1363 6.1363 6.8553 6.8553 6.8553 6.8553 7.2659 7.2659 7.2659 7.2659 8.1295 8.1295 8.1295 8.1295 10.5097 10.5097 10.5097 10.5097 11.5199 11.5199 11.5199 11.5199 12.1794 12.1794 k = 0.2386 0.1378 0.2664 ( 4244 PWs) bands (ev): -31.9846 -31.9846 -31.9846 -31.9846 -13.2747 -13.2747 -13.2747 -13.2747 -12.9131 -12.9131 -12.9131 -12.9131 -12.8820 -12.8820 -12.8820 -12.8820 -2.1030 -2.1030 -2.1030 -2.1030 4.3713 4.3713 4.3713 4.3713 5.1373 5.1373 5.1373 5.1373 5.3497 5.3497 5.3497 5.3497 5.9790 5.9790 5.9790 5.9790 6.1397 6.1397 6.1397 6.1397 6.8264 6.8264 6.8264 6.8264 7.2415 7.2415 7.2415 7.2415 8.0662 8.0662 8.0662 8.0662 10.4536 10.4536 10.4536 10.4536 11.4908 11.4908 11.4908 11.4908 12.2234 12.2234 k = 0.2500 0.1443 0.2664 ( 4254 PWs) bands (ev): -31.9845 -31.9845 -31.9845 -31.9845 -13.2755 -13.2755 -13.2755 -13.2755 -12.9137 -12.9137 -12.9137 -12.9137 -12.8831 -12.8831 -12.8831 -12.8831 -2.0761 -2.0761 -2.0761 -2.0761 4.3283 4.3283 4.3283 4.3283 5.1567 5.1567 5.1567 5.1567 5.3526 5.3526 5.3526 5.3526 5.9793 5.9793 5.9793 5.9793 6.1427 6.1427 6.1427 6.1427 6.7828 6.7828 6.7828 6.7828 7.2371 7.2371 7.2371 7.2371 8.0032 8.0032 8.0032 8.0032 10.3975 10.3975 10.3975 10.3975 11.4617 11.4617 11.4617 11.4617 12.2685 12.2685 k = 0.2614 0.1509 0.2664 ( 4254 PWs) bands (ev): -31.9843 -31.9843 -31.9843 -31.9843 -13.2762 -13.2762 -13.2762 -13.2762 -12.9144 -12.9144 -12.9144 -12.9144 -12.8842 -12.8842 -12.8842 -12.8842 -2.0489 -2.0489 -2.0489 -2.0489 4.2846 4.2846 4.2846 4.2846 5.1766 5.1766 5.1766 5.1766 5.3552 5.3552 5.3552 5.3552 5.9796 5.9796 5.9796 5.9796 6.1456 6.1456 6.1456 6.1456 6.7295 6.7295 6.7295 6.7295 7.2476 7.2476 7.2476 7.2476 7.9408 7.9408 7.9408 7.9408 10.3418 10.3418 10.3418 10.3418 11.4327 11.4327 11.4327 11.4327 12.3148 12.3148 k = 0.2727 0.1575 0.2664 ( 4260 PWs) bands (ev): -31.9842 -31.9842 -31.9842 -31.9842 -13.2770 -13.2770 -13.2770 -13.2770 -12.9151 -12.9151 -12.9151 -12.9151 -12.8852 -12.8852 -12.8852 -12.8852 -2.0214 -2.0214 -2.0214 -2.0214 4.2405 4.2405 4.2405 4.2405 5.1969 5.1969 5.1969 5.1969 5.3575 5.3575 5.3575 5.3575 5.9797 5.9797 5.9797 5.9797 6.1482 6.1482 6.1482 6.1482 6.6714 6.6714 6.6714 6.6714 7.2684 7.2684 7.2684 7.2684 7.8791 7.8791 7.8791 7.8791 10.2869 10.2869 10.2869 10.2869 11.4040 11.4040 11.4040 11.4040 12.3621 12.3621 k = 0.2841 0.1640 0.2664 ( 4256 PWs) bands (ev): -31.9840 -31.9840 -31.9840 -31.9840 -13.2777 -13.2777 -13.2777 -13.2777 -12.9159 -12.9159 -12.9159 -12.9159 -12.8861 -12.8861 -12.8861 -12.8861 -1.9939 -1.9939 -1.9939 -1.9939 4.1960 4.1960 4.1960 4.1960 5.2177 5.2177 5.2177 5.2177 5.3595 5.3595 5.3595 5.3595 5.9798 5.9798 5.9798 5.9798 6.1504 6.1504 6.1504 6.1504 6.6120 6.6120 6.6120 6.6120 7.2956 7.2956 7.2956 7.2956 7.8185 7.8185 7.8185 7.8185 10.2330 10.2330 10.2330 10.2330 11.3756 11.3756 11.3756 11.3756 12.4105 12.4105 k = 0.2955 0.1706 0.2664 ( 4248 PWs) bands (ev): -31.9839 -31.9839 -31.9839 -31.9839 -13.2784 -13.2784 -13.2784 -13.2784 -12.9166 -12.9166 -12.9166 -12.9166 -12.8870 -12.8870 -12.8870 -12.8870 -1.9663 -1.9663 -1.9663 -1.9663 4.1514 4.1514 4.1514 4.1514 5.2386 5.2386 5.2386 5.2386 5.3613 5.3613 5.3613 5.3613 5.9799 5.9799 5.9799 5.9799 6.1522 6.1522 6.1522 6.1522 6.5535 6.5535 6.5535 6.5535 7.3272 7.3272 7.3272 7.3272 7.7591 7.7591 7.7591 7.7591 10.1805 10.1805 10.1805 10.1805 11.3474 11.3474 11.3474 11.3474 12.4597 12.4597 k = 0.3068 0.1771 0.2664 ( 4246 PWs) bands (ev): -31.9837 -31.9837 -31.9837 -31.9837 -13.2791 -13.2791 -13.2791 -13.2791 -12.9174 -12.9174 -12.9174 -12.9174 -12.8878 -12.8878 -12.8878 -12.8878 -1.9389 -1.9389 -1.9389 -1.9389 4.1070 4.1070 4.1070 4.1070 5.2595 5.2595 5.2595 5.2595 5.3630 5.3630 5.3630 5.3630 5.9799 5.9799 5.9799 5.9799 6.1535 6.1535 6.1535 6.1535 6.4973 6.4973 6.4973 6.4973 7.3615 7.3615 7.3615 7.3615 7.7011 7.7011 7.7011 7.7011 10.1294 10.1294 10.1294 10.1294 11.3194 11.3194 11.3194 11.3194 12.5097 12.5097 k = 0.3182 0.1837 0.2664 ( 4246 PWs) bands (ev): -31.9836 -31.9836 -31.9836 -31.9836 -13.2798 -13.2798 -13.2798 -13.2798 -12.9182 -12.9182 -12.9182 -12.9182 -12.8885 -12.8885 -12.8885 -12.8885 -1.9119 -1.9119 -1.9119 -1.9119 4.0629 4.0629 4.0629 4.0629 5.2802 5.2802 5.2802 5.2802 5.3649 5.3649 5.3649 5.3649 5.9797 5.9797 5.9797 5.9797 6.1541 6.1541 6.1541 6.1541 6.4442 6.4442 6.4442 6.4442 7.3974 7.3974 7.3974 7.3974 7.6450 7.6450 7.6450 7.6450 10.0801 10.0801 10.0801 10.0801 11.2917 11.2917 11.2917 11.2917 12.5604 12.5604 k = 0.3295 0.1903 0.2664 ( 4238 PWs) bands (ev): -31.9835 -31.9835 -31.9835 -31.9835 -13.2805 -13.2805 -13.2805 -13.2805 -12.9190 -12.9190 -12.9190 -12.9190 -12.8892 -12.8892 -12.8892 -12.8892 -1.8853 -1.8853 -1.8853 -1.8853 4.0195 4.0195 4.0195 4.0195 5.3001 5.3001 5.3001 5.3001 5.3673 5.3673 5.3673 5.3673 5.9796 5.9796 5.9796 5.9796 6.1538 6.1538 6.1538 6.1538 6.3950 6.3950 6.3950 6.3950 7.4335 7.4335 7.4335 7.4335 7.5916 7.5916 7.5916 7.5916 10.0326 10.0326 10.0326 10.0326 11.2642 11.2642 11.2642 11.2642 12.6118 12.6118 k = 0.3409 0.1968 0.2664 ( 4234 PWs) bands (ev): -31.9833 -31.9833 -31.9833 -31.9833 -13.2812 -13.2812 -13.2812 -13.2812 -12.9198 -12.9198 -12.9198 -12.9198 -12.8898 -12.8898 -12.8898 -12.8898 -1.8594 -1.8594 -1.8594 -1.8594 3.9770 3.9770 3.9770 3.9770 5.3183 5.3183 5.3183 5.3183 5.3711 5.3711 5.3711 5.3711 5.9793 5.9793 5.9793 5.9793 6.1521 6.1521 6.1521 6.1521 6.3504 6.3504 6.3504 6.3504 7.4656 7.4656 7.4656 7.4656 7.5447 7.5447 7.5447 7.5447 9.9871 9.9871 9.9871 9.9871 11.2371 11.2371 11.2371 11.2371 12.6637 12.6637 k = 0.3523 0.2034 0.2664 ( 4234 PWs) bands (ev): -31.9832 -31.9832 -31.9832 -31.9832 -13.2818 -13.2818 -13.2818 -13.2818 -12.9206 -12.9206 -12.9206 -12.9206 -12.8903 -12.8903 -12.8903 -12.8903 -1.8343 -1.8343 -1.8343 -1.8343 3.9358 3.9358 3.9358 3.9358 5.3332 5.3332 5.3332 5.3332 5.3778 5.3778 5.3778 5.3778 5.9789 5.9789 5.9789 5.9789 6.1484 6.1484 6.1484 6.1484 6.3112 6.3112 6.3112 6.3112 7.4661 7.4661 7.4661 7.4661 7.5316 7.5316 7.5316 7.5316 9.9437 9.9437 9.9437 9.9437 11.2103 11.2103 11.2103 11.2103 12.7160 12.7160 k = 0.3636 0.2099 0.2664 ( 4238 PWs) bands (ev): -31.9831 -31.9831 -31.9831 -31.9831 -13.2825 -13.2825 -13.2825 -13.2825 -12.9214 -12.9214 -12.9214 -12.9214 -12.8908 -12.8908 -12.8908 -12.8908 -1.8101 -1.8101 -1.8101 -1.8101 3.8960 3.8960 3.8960 3.8960 5.3429 5.3429 5.3429 5.3429 5.3891 5.3891 5.3891 5.3891 5.9783 5.9783 5.9783 5.9783 6.1418 6.1418 6.1418 6.1418 6.2783 6.2783 6.2783 6.2783 7.4266 7.4266 7.4266 7.4266 7.5605 7.5605 7.5605 7.5605 9.9027 9.9027 9.9027 9.9027 11.1842 11.1842 11.1842 11.1842 12.7685 12.7685 k = 0.3750 0.2165 0.2664 ( 4238 PWs) bands (ev): -31.9830 -31.9830 -31.9830 -31.9830 -13.2831 -13.2831 -13.2831 -13.2831 -12.9222 -12.9222 -12.9222 -12.9222 -12.8913 -12.8913 -12.8913 -12.8913 -1.7871 -1.7871 -1.7871 -1.7871 3.8581 3.8581 3.8581 3.8581 5.3480 5.3480 5.3480 5.3480 5.4042 5.4042 5.4042 5.4042 5.9777 5.9777 5.9777 5.9777 6.1316 6.1316 6.1316 6.1316 6.2529 6.2529 6.2529 6.2529 7.3825 7.3825 7.3825 7.3825 7.5958 7.5958 7.5958 7.5958 9.8640 9.8640 9.8640 9.8640 11.1588 11.1588 11.1588 11.1588 12.8212 12.8212 k = 0.3864 0.2231 0.2664 ( 4230 PWs) bands (ev): -31.9829 -31.9829 -31.9829 -31.9829 -13.2836 -13.2836 -13.2836 -13.2836 -12.9229 -12.9229 -12.9229 -12.9229 -12.8916 -12.8916 -12.8916 -12.8916 -1.7655 -1.7655 -1.7655 -1.7655 3.8223 3.8223 3.8223 3.8223 5.3504 5.3504 5.3504 5.3504 5.4211 5.4211 5.4211 5.4211 5.9768 5.9768 5.9768 5.9768 6.1175 6.1175 6.1175 6.1175 6.2349 6.2349 6.2349 6.2349 7.3398 7.3398 7.3398 7.3398 7.6312 7.6312 7.6312 7.6312 9.8279 9.8279 9.8279 9.8279 11.1344 11.1344 11.1344 11.1344 12.8739 12.8739 k = 0.3977 0.2296 0.2664 ( 4212 PWs) bands (ev): -31.9828 -31.9828 -31.9828 -31.9828 -13.2841 -13.2841 -13.2841 -13.2841 -12.9235 -12.9235 -12.9235 -12.9235 -12.8919 -12.8919 -12.8919 -12.8919 -1.7453 -1.7453 -1.7453 -1.7453 3.7890 3.7890 3.7890 3.7890 5.3516 5.3516 5.3516 5.3516 5.4383 5.4383 5.4383 5.4383 5.9757 5.9757 5.9757 5.9757 6.1007 6.1007 6.1007 6.1007 6.2234 6.2234 6.2234 6.2234 7.2997 7.2997 7.2997 7.2997 7.6656 7.6656 7.6656 7.6656 9.7946 9.7946 9.7946 9.7946 11.1112 11.1112 11.1112 11.1112 12.9263 12.9263 k = 0.4091 0.2362 0.2664 ( 4220 PWs) bands (ev): -31.9827 -31.9827 -31.9827 -31.9827 -13.2846 -13.2846 -13.2846 -13.2846 -12.9241 -12.9241 -12.9241 -12.9241 -12.8922 -12.8922 -12.8922 -12.8922 -1.7267 -1.7267 -1.7267 -1.7267 3.7582 3.7582 3.7582 3.7582 5.3521 5.3521 5.3521 5.3521 5.4548 5.4548 5.4548 5.4548 5.9743 5.9743 5.9743 5.9743 6.0832 6.0832 6.0832 6.0832 6.2163 6.2163 6.2163 6.2163 7.2626 7.2626 7.2626 7.2626 7.6980 7.6980 7.6980 7.6980 9.7640 9.7640 9.7640 9.7640 11.0895 11.0895 11.0895 11.0895 12.9784 12.9784 k = 0.4205 0.2427 0.2664 ( 4226 PWs) bands (ev): -31.9826 -31.9826 -31.9826 -31.9826 -13.2850 -13.2850 -13.2850 -13.2850 -12.9247 -12.9247 -12.9247 -12.9247 -12.8925 -12.8925 -12.8925 -12.8925 -1.7100 -1.7100 -1.7100 -1.7100 3.7304 3.7304 3.7304 3.7304 5.3522 5.3522 5.3522 5.3522 5.4703 5.4703 5.4703 5.4703 5.9726 5.9726 5.9726 5.9726 6.0666 6.0666 6.0666 6.0666 6.2118 6.2118 6.2118 6.2118 7.2289 7.2289 7.2289 7.2289 7.7280 7.7280 7.7280 7.7280 9.7364 9.7364 9.7364 9.7364 11.0695 11.0695 11.0695 11.0695 13.0299 13.0299 k = 0.4318 0.2493 0.2664 ( 4226 PWs) bands (ev): -31.9826 -31.9826 -31.9826 -31.9826 -13.2854 -13.2854 -13.2854 -13.2854 -12.9252 -12.9252 -12.9252 -12.9252 -12.8927 -12.8927 -12.8927 -12.8927 -1.6951 -1.6951 -1.6951 -1.6951 3.7058 3.7058 3.7058 3.7058 5.3521 5.3521 5.3521 5.3521 5.4843 5.4843 5.4843 5.4843 5.9704 5.9704 5.9704 5.9704 6.0520 6.0520 6.0520 6.0520 6.2091 6.2091 6.2091 6.2091 7.1989 7.1989 7.1989 7.1989 7.7551 7.7551 7.7551 7.7551 9.7121 9.7121 9.7121 9.7121 11.0515 11.0515 11.0515 11.0515 13.0806 13.0806 k = 0.4432 0.2559 0.2664 ( 4222 PWs) bands (ev): -31.9825 -31.9825 -31.9825 -31.9825 -13.2857 -13.2857 -13.2857 -13.2857 -12.9256 -12.9256 -12.9256 -12.9256 -12.8929 -12.8929 -12.8929 -12.8929 -1.6823 -1.6823 -1.6823 -1.6823 3.6846 3.6846 3.6846 3.6846 5.3519 5.3519 5.3519 5.3519 5.4967 5.4967 5.4967 5.4967 5.9679 5.9679 5.9679 5.9679 6.0401 6.0401 6.0401 6.0401 6.2074 6.2074 6.2074 6.2074 7.1730 7.1730 7.1730 7.1730 7.7790 7.7790 7.7790 7.7790 9.6911 9.6911 9.6911 9.6911 11.0357 11.0357 11.0357 11.0357 13.1301 13.1301 k = 0.4545 0.2624 0.2664 ( 4226 PWs) bands (ev): -31.9824 -31.9824 -31.9824 -31.9824 -13.2860 -13.2860 -13.2860 -13.2860 -12.9260 -12.9260 -12.9260 -12.9260 -12.8930 -12.8930 -12.8930 -12.8930 -1.6717 -1.6717 -1.6717 -1.6717 3.6670 3.6670 3.6670 3.6670 5.3517 5.3517 5.3517 5.3517 5.5071 5.5071 5.5071 5.5071 5.9650 5.9650 5.9650 5.9650 6.0308 6.0308 6.0308 6.0308 6.2063 6.2063 6.2063 6.2063 7.1514 7.1514 7.1514 7.1514 7.7991 7.7991 7.7991 7.7991 9.6736 9.6736 9.6736 9.6736 11.0225 11.0225 11.0225 11.0225 13.1779 13.1779 k = 0.4659 0.2690 0.2664 ( 4232 PWs) bands (ev): -31.9824 -31.9824 -31.9824 -31.9824 -13.2862 -13.2862 -13.2862 -13.2862 -12.9263 -12.9263 -12.9263 -12.9263 -12.8931 -12.8931 -12.8931 -12.8931 -1.6633 -1.6633 -1.6633 -1.6633 3.6531 3.6531 3.6531 3.6531 5.3515 5.3515 5.3515 5.3515 5.5154 5.5154 5.5154 5.5154 5.9623 5.9623 5.9623 5.9623 6.0241 6.0241 6.0241 6.0241 6.2056 6.2056 6.2056 6.2056 7.1343 7.1343 7.1343 7.1343 7.8152 7.8152 7.8152 7.8152 9.6598 9.6598 9.6598 9.6598 11.0119 11.0119 11.0119 11.0119 13.2229 13.2229 k = 0.4773 0.2756 0.2664 ( 4244 PWs) bands (ev): -31.9824 -31.9824 -31.9824 -31.9824 -13.2864 -13.2864 -13.2864 -13.2864 -12.9266 -12.9266 -12.9266 -12.9266 -12.8932 -12.8932 -12.8932 -12.8932 -1.6573 -1.6573 -1.6573 -1.6573 3.6431 3.6431 3.6431 3.6431 5.3513 5.3513 5.3513 5.3513 5.5214 5.5214 5.5214 5.5214 5.9599 5.9599 5.9599 5.9599 6.0197 6.0197 6.0197 6.0197 6.2051 6.2051 6.2051 6.2051 7.1220 7.1220 7.1220 7.1220 7.8269 7.8269 7.8269 7.8269 9.6499 9.6499 9.6499 9.6499 11.0043 11.0043 11.0043 11.0043 13.2633 13.2633 k = 0.4886 0.2821 0.2664 ( 4248 PWs) bands (ev): -31.9824 -31.9824 -31.9824 -31.9824 -13.2865 -13.2865 -13.2865 -13.2865 -12.9267 -12.9267 -12.9267 -12.9267 -12.8933 -12.8933 -12.8933 -12.8933 -1.6536 -1.6536 -1.6536 -1.6536 3.6370 3.6370 3.6370 3.6370 5.3512 5.3512 5.3512 5.3512 5.5250 5.5250 5.5250 5.5250 5.9583 5.9583 5.9583 5.9583 6.0172 6.0172 6.0172 6.0172 6.2049 6.2049 6.2049 6.2049 7.1145 7.1145 7.1145 7.1145 7.8340 7.8340 7.8340 7.8340 9.6438 9.6438 9.6438 9.6438 10.9996 10.9996 10.9996 10.9996 13.2945 13.2945 k = 0.5000 0.2887 0.2664 ( 4232 PWs) bands (ev): -31.9824 -31.9824 -31.9824 -31.9824 -13.2865 -13.2865 -13.2865 -13.2865 -12.9267 -12.9267 -12.9267 -12.9267 -12.8933 -12.8933 -12.8933 -12.8933 -1.6524 -1.6524 -1.6524 -1.6524 3.6350 3.6350 3.6350 3.6350 5.3512 5.3512 5.3512 5.3512 5.5263 5.5263 5.5263 5.5263 5.9578 5.9578 5.9578 5.9578 6.0165 6.0165 6.0165 6.0165 6.2049 6.2049 6.2049 6.2049 7.1120 7.1120 7.1120 7.1120 7.8364 7.8364 7.8364 7.8364 9.6418 9.6418 9.6418 9.6418 10.9981 10.9981 10.9981 10.9981 13.3073 13.3073 k = 0.5000 0.2887 0.2664 ( 4232 PWs) bands (ev): -31.9824 -31.9824 -31.9824 -31.9824 -13.2865 -13.2865 -13.2865 -13.2865 -12.9267 -12.9267 -12.9267 -12.9267 -12.8933 -12.8933 -12.8933 -12.8933 -1.6524 -1.6524 -1.6524 -1.6524 3.6350 3.6350 3.6350 3.6350 5.3512 5.3512 5.3512 5.3512 5.5263 5.5263 5.5263 5.5263 5.9578 5.9578 5.9578 5.9578 6.0165 6.0165 6.0165 6.0165 6.2049 6.2049 6.2049 6.2049 7.1120 7.1120 7.1120 7.1120 7.8364 7.8364 7.8364 7.8364 9.6418 9.6418 9.6418 9.6418 10.9981 10.9981 10.9981 10.9981 13.3073 13.3073 k = 0.4936 0.2998 0.2664 ( 4240 PWs) bands (ev): -31.9824 -31.9824 -31.9824 -31.9824 -13.2865 -13.2865 -13.2865 -13.2865 -12.9267 -12.9267 -12.9267 -12.9267 -12.8933 -12.8933 -12.8933 -12.8933 -1.6521 -1.6521 -1.6520 -1.6520 3.6349 3.6349 3.6370 3.6370 5.3495 5.3495 5.3526 5.3526 5.5249 5.5249 5.5274 5.5274 5.9515 5.9515 5.9633 5.9633 6.0126 6.0126 6.0196 6.0196 6.2036 6.2036 6.2059 6.2059 7.1033 7.1033 7.1103 7.1103 7.8356 7.8356 7.8385 7.8385 9.6430 9.6430 9.6438 9.6438 11.0049 11.0049 11.0052 11.0052 13.3022 13.3023 k = 0.4872 0.3109 0.2664 ( 4240 PWs) bands (ev): -31.9824 -31.9824 -31.9824 -31.9824 -13.2866 -13.2866 -13.2865 -13.2865 -12.9267 -12.9267 -12.9266 -12.9266 -12.8935 -12.8935 -12.8934 -12.8934 -1.6512 -1.6512 -1.6510 -1.6510 3.6367 3.6367 3.6408 3.6408 5.3476 5.3476 5.3538 5.3538 5.5231 5.5231 5.5282 5.5282 5.9443 5.9443 5.9681 5.9681 6.0080 6.0080 6.0220 6.0220 6.2020 6.2020 6.2066 6.2066 7.0845 7.0845 7.0984 7.0984 7.8363 7.8363 7.8419 7.8419 9.6472 9.6472 9.6487 9.6487 11.0257 11.0257 11.0263 11.0263 13.2877 13.2878 k = 0.4808 0.3220 0.2664 ( 4232 PWs) bands (ev): -31.9824 -31.9824 -31.9824 -31.9824 -13.2866 -13.2866 -13.2864 -13.2864 -12.9265 -12.9265 -12.9265 -12.9265 -12.8937 -12.8937 -12.8936 -12.8936 -1.6497 -1.6497 -1.6493 -1.6493 3.6403 3.6403 3.6465 3.6465 5.3456 5.3456 5.3548 5.3548 5.5211 5.5211 5.5287 5.5287 5.9360 5.9360 5.9722 5.9722 6.0028 6.0028 6.0236 6.0236 6.2001 6.2001 6.2072 6.2072 7.0560 7.0560 7.0771 7.0771 7.8383 7.8383 7.8467 7.8467 9.6541 9.6541 9.6563 9.6563 11.0603 11.0603 11.0610 11.0610 13.2641 13.2649 k = 0.4744 0.3331 0.2664 ( 4232 PWs) bands (ev): -31.9823 -31.9823 -31.9823 -31.9823 -13.2867 -13.2867 -13.2864 -13.2864 -12.9264 -12.9264 -12.9263 -12.9263 -12.8941 -12.8941 -12.8939 -12.8939 -1.6475 -1.6475 -1.6470 -1.6470 3.6457 3.6457 3.6540 3.6540 5.3433 5.3433 5.3556 5.3556 5.5187 5.5187 5.5287 5.5287 5.9265 5.9265 5.9757 5.9757 5.9971 5.9971 6.0245 6.0245 6.1979 6.1979 6.2075 6.2075 7.0189 7.0189 7.0476 7.0476 7.8416 7.8416 7.8526 7.8526 9.6632 9.6632 9.6660 9.6660 11.1080 11.1080 11.1088 11.1088 13.2341 13.2359 k = 0.4679 0.3442 0.2664 ( 4232 PWs) bands (ev): -31.9823 -31.9823 -31.9823 -31.9823 -13.2867 -13.2867 -13.2864 -13.2864 -12.9262 -12.9262 -12.9261 -12.9261 -12.8945 -12.8945 -12.8943 -12.8943 -1.6448 -1.6448 -1.6442 -1.6442 3.6528 3.6528 3.6634 3.6634 5.3409 5.3409 5.3561 5.3561 5.5157 5.5157 5.5282 5.5282 5.9156 5.9156 5.9784 5.9784 5.9911 5.9911 6.0247 6.0247 6.1954 6.1954 6.2077 6.2077 6.9745 6.9745 7.0111 7.0111 7.8460 7.8460 7.8594 7.8594 9.6739 9.6739 9.6773 9.6773 11.1683 11.1683 11.1690 11.1690 13.2007 13.2012 k = 0.4615 0.3553 0.2664 ( 4236 PWs) bands (ev): -31.9823 -31.9823 -31.9823 -31.9823 -13.2868 -13.2868 -13.2865 -13.2865 -12.9260 -12.9260 -12.9258 -12.9258 -12.8950 -12.8950 -12.8948 -12.8948 -1.6415 -1.6415 -1.6407 -1.6407 3.6617 3.6617 3.6745 3.6745 5.3383 5.3383 5.3564 5.3564 5.5120 5.5120 5.5268 5.5268 5.9030 5.9030 5.9804 5.9804 5.9849 5.9849 6.0244 6.0244 6.1926 6.1926 6.2077 6.2077 6.9242 6.9242 6.9691 6.9691 7.8514 7.8514 7.8672 7.8672 9.6857 9.6857 9.6897 9.6897 11.2402 11.2402 11.2406 11.2406 13.1656 13.1677 k = 0.4551 0.3664 0.2664 ( 4236 PWs) bands (ev): -31.9823 -31.9823 -31.9823 -31.9823 -13.2869 -13.2869 -13.2865 -13.2865 -12.9257 -12.9257 -12.9255 -12.9255 -12.8957 -12.8957 -12.8954 -12.8954 -1.6376 -1.6376 -1.6367 -1.6367 3.6721 3.6721 3.6873 3.6873 5.3355 5.3355 5.3565 5.3565 5.5077 5.5077 5.5246 5.5246 5.8888 5.8888 5.9787 5.9787 5.9815 5.9815 6.0237 6.0237 6.1895 6.1895 6.2075 6.2075 6.8695 6.8695 6.9232 6.9232 7.8578 7.8578 7.8759 7.8759 9.6980 9.6980 9.7027 9.7027 11.3226 11.3226 11.3227 11.3227 13.1295 13.1310 k = 0.4487 0.3775 0.2664 ( 4228 PWs) bands (ev): -31.9823 -31.9823 -31.9823 -31.9823 -13.2869 -13.2869 -13.2865 -13.2865 -12.9254 -12.9254 -12.9251 -12.9251 -12.8963 -12.8963 -12.8960 -12.8960 -1.6332 -1.6332 -1.6322 -1.6322 3.6840 3.6840 3.7017 3.7017 5.3326 5.3326 5.3563 5.3563 5.5023 5.5023 5.5210 5.5210 5.8728 5.8728 5.9726 5.9726 5.9816 5.9816 6.0228 6.0228 6.1861 6.1861 6.2073 6.2073 6.8119 6.8119 6.8749 6.8749 7.8650 7.8650 7.8852 7.8852 9.7106 9.7106 9.7158 9.7158 11.4138 11.4138 11.4146 11.4146 13.0938 13.0953 k = 0.4423 0.3886 0.2664 ( 4224 PWs) bands (ev): -31.9822 -31.9822 -31.9822 -31.9822 -13.2870 -13.2870 -13.2865 -13.2865 -12.9250 -12.9250 -12.9247 -12.9247 -12.8970 -12.8970 -12.8968 -12.8968 -1.6284 -1.6284 -1.6273 -1.6273 3.6974 3.6974 3.7176 3.7176 5.3295 5.3295 5.3558 5.3558 5.4957 5.4957 5.5157 5.5157 5.8555 5.8555 5.9669 5.9669 5.9805 5.9805 6.0219 6.0219 6.1824 6.1824 6.2069 6.2069 6.7529 6.7529 6.8255 6.8255 7.8730 7.8730 7.8951 7.8951 9.7230 9.7230 9.7287 9.7287 11.5128 11.5128 11.5145 11.5145 13.0597 13.0608 k = 0.4359 0.3997 0.2664 ( 4226 PWs) bands (ev): -31.9822 -31.9822 -31.9822 -31.9822 -13.2871 -13.2871 -13.2866 -13.2866 -12.9246 -12.9246 -12.9243 -12.9243 -12.8979 -12.8979 -12.8975 -12.8975 -1.6232 -1.6232 -1.6220 -1.6220 3.7120 3.7120 3.7350 3.7350 5.3262 5.3262 5.3549 5.3549 5.4877 5.4877 5.5083 5.5083 5.8370 5.8370 5.9614 5.9614 5.9780 5.9780 6.0211 6.0211 6.1784 6.1784 6.2065 6.2065 6.6939 6.6939 6.7765 6.7765 7.8816 7.8816 7.9056 7.9056 9.7351 9.7351 9.7411 9.7411 11.6182 11.6182 11.6210 11.6210 13.0270 13.0287 k = 0.4295 0.4108 0.2664 ( 4230 PWs) bands (ev): -31.9822 -31.9822 -31.9822 -31.9822 -13.2872 -13.2872 -13.2866 -13.2866 -12.9242 -12.9242 -12.9238 -12.9238 -12.8987 -12.8987 -12.8984 -12.8984 -1.6177 -1.6177 -1.6163 -1.6163 3.7277 3.7277 3.7536 3.7536 5.3227 5.3227 5.3535 5.3535 5.4780 5.4780 5.4983 5.4983 5.8181 5.8181 5.9562 5.9562 5.9742 5.9742 6.0205 6.0205 6.1743 6.1743 6.2060 6.2060 6.6362 6.6362 6.7287 6.7287 7.8907 7.8907 7.9165 7.9165 9.7465 9.7465 9.7529 9.7529 11.7284 11.7284 11.7325 11.7325 12.9961 12.9968 k = 0.4231 0.4219 0.2664 ( 4222 PWs) bands (ev): -31.9821 -31.9821 -31.9821 -31.9821 -13.2873 -13.2873 -13.2867 -13.2867 -12.9237 -12.9237 -12.9233 -12.9233 -12.8996 -12.8996 -12.8993 -12.8993 -1.6118 -1.6118 -1.6104 -1.6104 3.7444 3.7444 3.7733 3.7733 5.3190 5.3190 5.3513 5.3513 5.4665 5.4665 5.4853 5.4853 5.7996 5.7996 5.9515 5.9515 5.9693 5.9693 6.0203 6.0203 6.1700 6.1700 6.2056 6.2056 6.5810 6.5810 6.6832 6.6832 7.9003 7.9003 7.9277 7.9277 9.7573 9.7573 9.7640 9.7640 11.8418 11.8418 11.8475 11.8475 12.9674 12.9701 k = 0.4167 0.4330 0.2664 ( 4226 PWs) bands (ev): -31.9821 -31.9821 -31.9821 -31.9821 -13.2874 -13.2874 -13.2867 -13.2867 -12.9232 -12.9232 -12.9228 -12.9228 -12.9006 -12.9006 -12.9002 -12.9002 -1.6058 -1.6058 -1.6042 -1.6042 3.7618 3.7618 3.7939 3.7939 5.3151 5.3151 5.3481 5.3481 5.4531 5.4531 5.4692 5.4692 5.7821 5.7821 5.9472 5.9472 5.9633 5.9633 6.0201 6.0201 6.1657 6.1657 6.2051 6.2051 6.5292 6.5292 6.6406 6.6406 7.9102 7.9102 7.9391 7.9391 9.7672 9.7672 9.7742 9.7742 11.9565 11.9565 11.9641 11.9641 12.9424 12.9450 k = 0.4103 0.4441 0.2664 ( 4234 PWs) bands (ev): -31.9821 -31.9821 -31.9821 -31.9821 -13.2875 -13.2875 -13.2868 -13.2868 -12.9227 -12.9227 -12.9222 -12.9222 -12.9016 -12.9016 -12.9012 -12.9012 -1.5996 -1.5996 -1.5980 -1.5980 3.7796 3.7796 3.8152 3.8152 5.3107 5.3107 5.3429 5.3429 5.4376 5.4376 5.4505 5.4505 5.7665 5.7665 5.9432 5.9432 5.9568 5.9568 6.0199 6.0199 6.1614 6.1614 6.2046 6.2046 6.4815 6.4815 6.6012 6.6012 7.9204 7.9204 7.9507 7.9507 9.7762 9.7762 9.7835 9.7835 12.0707 12.0707 12.0804 12.0804 12.9198 12.9203 k = 0.4038 0.4552 0.2664 ( 4242 PWs) bands (ev): -31.9821 -31.9821 -31.9821 -31.9821 -13.2876 -13.2876 -13.2869 -13.2869 -12.9221 -12.9221 -12.9216 -12.9216 -12.9027 -12.9027 -12.9023 -12.9023 -1.5934 -1.5934 -1.5917 -1.5917 3.7978 3.7978 3.8369 3.8369 5.3058 5.3058 5.3346 5.3346 5.4205 5.4205 5.4308 5.4308 5.7533 5.7533 5.9397 5.9397 5.9500 5.9500 6.0198 6.0198 6.1571 6.1571 6.2042 6.2042 6.4384 6.4384 6.5653 6.5653 7.9306 7.9306 7.9622 7.9622 9.7843 9.7843 9.7917 9.7917 12.1822 12.1822 12.1942 12.1942 12.9016 12.9031 k = 0.3974 0.4663 0.2664 ( 4242 PWs) bands (ev): -31.9820 -31.9820 -31.9820 -31.9820 -13.2877 -13.2877 -13.2870 -13.2870 -12.9215 -12.9215 -12.9210 -12.9210 -12.9037 -12.9037 -12.9033 -12.9033 -1.5872 -1.5872 -1.5854 -1.5854 3.8158 3.8158 3.8588 3.8588 5.3000 5.3000 5.3212 5.3212 5.4023 5.4023 5.4128 5.4128 5.7425 5.7425 5.9366 5.9366 5.9434 5.9434 6.0194 6.0194 6.1532 6.1532 6.2038 6.2038 6.4001 6.4001 6.5331 6.5331 7.9409 7.9409 7.9737 7.9737 9.7913 9.7913 9.7989 9.7989 12.2888 12.2888 12.3031 12.3031 12.8883 12.8890 k = 0.3910 0.4774 0.2664 ( 4242 PWs) bands (ev): -31.9820 -31.9820 -31.9820 -31.9820 -13.2878 -13.2878 -13.2870 -13.2870 -12.9208 -12.9208 -12.9203 -12.9203 -12.9048 -12.9048 -12.9044 -12.9044 -1.5811 -1.5811 -1.5792 -1.5792 3.8335 3.8335 3.8803 3.8803 5.2929 5.2929 5.3013 5.3013 5.3839 5.3839 5.3988 5.3988 5.7340 5.7340 5.9340 5.9340 5.9373 5.9373 6.0188 6.0188 6.1496 6.1496 6.2035 6.2035 6.3667 6.3667 6.5043 6.5043 7.9509 7.9509 7.9848 7.9848 9.7973 9.7973 9.8051 9.8051 12.3878 12.3878 12.4043 12.4043 12.8781 12.8787 k = 0.3846 0.4885 0.2664 ( 4242 PWs) bands (ev): -31.9820 -31.9820 -31.9820 -31.9820 -13.2879 -13.2879 -13.2871 -13.2871 -12.9202 -12.9202 -12.9196 -12.9196 -12.9059 -12.9059 -12.9054 -12.9054 -1.5753 -1.5753 -1.5733 -1.5733 3.8505 3.8505 3.9013 3.9013 5.2755 5.2755 5.2838 5.2838 5.3667 5.3667 5.3895 5.3895 5.7275 5.7275 5.9317 5.9317 5.9321 5.9321 6.0178 6.0178 6.1464 6.1464 6.2033 6.2033 6.3378 6.3378 6.4790 6.4790 7.9607 7.9607 7.9956 7.9956 9.8023 9.8023 9.8102 9.8102 12.4770 12.4770 12.4951 12.4951 12.8741 12.8744 k = 0.3782 0.4996 0.2664 ( 4236 PWs) bands (ev): -31.9819 -31.9819 -31.9819 -31.9819 -13.2880 -13.2880 -13.2872 -13.2872 -12.9195 -12.9195 -12.9189 -12.9189 -12.9069 -12.9069 -12.9065 -12.9065 -1.5697 -1.5697 -1.5677 -1.5677 3.8664 3.8664 3.9212 3.9212 5.2466 5.2466 5.2721 5.2721 5.3520 5.3520 5.3835 5.3835 5.7228 5.7228 5.9280 5.9280 5.9299 5.9299 6.0166 6.0166 6.1437 6.1437 6.2032 6.2032 6.3132 6.3132 6.4570 6.4570 7.9700 7.9700 8.0057 8.0057 9.8063 9.8063 9.8142 9.8142 12.5541 12.5541 12.5726 12.5726 12.8740 12.8762 k = 0.3718 0.5107 0.2664 ( 4232 PWs) bands (ev): -31.9819 -31.9819 -31.9819 -31.9819 -13.2881 -13.2881 -13.2872 -13.2872 -12.9188 -12.9188 -12.9182 -12.9182 -12.9080 -12.9080 -12.9075 -12.9075 -1.5646 -1.5646 -1.5625 -1.5625 3.8809 3.8809 3.9395 3.9395 5.2171 5.2171 5.2582 5.2582 5.3407 5.3407 5.3797 5.3797 5.7193 5.7193 5.9250 5.9250 5.9284 5.9284 6.0150 6.0150 6.1416 6.1416 6.2031 6.2031 6.2926 6.2926 6.4380 6.4380 7.9786 7.9786 8.0151 8.0151 9.8093 9.8093 9.8173 9.8173 12.6178 12.6178 12.6348 12.6348 12.8791 12.8805 k = 0.3654 0.5218 0.2664 ( 4224 PWs) bands (ev): -31.9819 -31.9819 -31.9819 -31.9819 -13.2882 -13.2882 -13.2873 -13.2873 -12.9180 -12.9180 -12.9174 -12.9174 -12.9090 -12.9090 -12.9085 -12.9085 -1.5600 -1.5600 -1.5578 -1.5578 3.8936 3.8936 3.9559 3.9559 5.1892 5.1892 5.2431 5.2431 5.3324 5.3324 5.3771 5.3771 5.7168 5.7168 5.9230 5.9230 5.9273 5.9273 6.0131 6.0131 6.1400 6.1400 6.2032 6.2032 6.2755 6.2755 6.4222 6.4222 7.9865 7.9865 8.0236 8.0236 9.8114 9.8114 9.8194 9.8194 12.6682 12.6682 12.6816 12.6816 12.8881 12.8885 k = 0.3590 0.5329 0.2664 ( 4224 PWs) bands (ev): -31.9819 -31.9819 -31.9819 -31.9819 -13.2882 -13.2882 -13.2873 -13.2873 -12.9173 -12.9173 -12.9166 -12.9166 -12.9100 -12.9100 -12.9096 -12.9096 -1.5560 -1.5560 -1.5537 -1.5537 3.9042 3.9042 3.9698 3.9698 5.1645 5.1645 5.2285 5.2285 5.3266 5.3266 5.3753 5.3753 5.7151 5.7151 5.9220 5.9220 5.9264 5.9264 6.0111 6.0111 6.1389 6.1389 6.2033 6.2033 6.2617 6.2617 6.4092 6.4092 7.9933 7.9933 8.0310 8.0310 9.8127 9.8127 9.8207 9.8207 12.7072 12.7072 12.7154 12.7154 12.8987 12.8987 k = 0.3526 0.5440 0.2664 ( 4228 PWs) bands (ev): -31.9819 -31.9819 -31.9819 -31.9819 -13.2883 -13.2883 -13.2874 -13.2874 -12.9165 -12.9165 -12.9158 -12.9158 -12.9109 -12.9109 -12.9106 -12.9106 -1.5527 -1.5527 -1.5504 -1.5504 3.9125 3.9125 3.9808 3.9808 5.1443 5.1443 5.2159 5.2159 5.3226 5.3226 5.3740 5.3740 5.7139 5.7139 5.9217 5.9217 5.9257 5.9257 6.0091 6.0091 6.1382 6.1382 6.2034 6.2034 6.2510 6.2510 6.3990 6.3990 7.9989 7.9989 8.0370 8.0370 9.8133 9.8133 9.8213 9.8213 12.7375 12.7375 12.7400 12.7400 12.9070 12.9070 k = 0.3462 0.5551 0.2664 ( 4240 PWs) bands (ev): -31.9819 -31.9819 -31.9819 -31.9819 -13.2884 -13.2884 -13.2875 -13.2875 -12.9159 -12.9159 -12.9150 -12.9150 -12.9118 -12.9118 -12.9116 -12.9116 -1.5502 -1.5502 -1.5479 -1.5479 3.9183 3.9183 3.9887 3.9887 5.1294 5.1294 5.2063 5.2063 5.3199 5.3199 5.3731 5.3731 5.7131 5.7131 5.9218 5.9218 5.9253 5.9253 6.0074 6.0074 6.1378 6.1378 6.2035 6.2035 6.2433 6.2433 6.3917 6.3917 8.0032 8.0032 8.0416 8.0416 9.8135 9.8135 9.8214 9.8214 12.7583 12.7583 12.7616 12.7616 12.9097 12.9097 k = 0.3397 0.5662 0.2664 ( 4236 PWs) bands (ev): -31.9818 -31.9818 -31.9818 -31.9818 -13.2884 -13.2884 -13.2875 -13.2875 -12.9152 -12.9152 -12.9142 -12.9142 -12.9125 -12.9125 -12.9125 -12.9125 -1.5486 -1.5486 -1.5464 -1.5464 3.9217 3.9217 3.9934 3.9934 5.1203 5.1203 5.2003 5.2003 5.3184 5.3184 5.3726 5.3726 5.7127 5.7127 5.9221 5.9221 5.9251 5.9251 6.0063 6.0063 6.1377 6.1377 6.2036 6.2036 6.2387 6.2387 6.3873 6.3873 8.0059 8.0059 8.0445 8.0445 9.8134 9.8134 9.8213 9.8213 12.7710 12.7710 12.7795 12.7795 12.9068 12.9068 k = 0.3333 0.5774 0.2664 ( 4236 PWs) bands (ev): -31.9818 -31.9818 -31.9818 -31.9818 -13.2884 -13.2884 -13.2875 -13.2875 -12.9149 -12.9149 -12.9134 -12.9134 -12.9133 -12.9133 -12.9129 -12.9129 -1.5481 -1.5481 -1.5458 -1.5458 3.9228 3.9228 3.9949 3.9949 5.1173 5.1173 5.1984 5.1984 5.3179 5.3179 5.3725 5.3725 5.7125 5.7125 5.9222 5.9222 5.9250 5.9250 6.0059 6.0059 6.1377 6.1377 6.2036 6.2036 6.2372 6.2372 6.3858 6.3858 8.0068 8.0068 8.0455 8.0455 9.8133 9.8133 9.8212 9.8212 12.7760 12.7760 12.7871 12.7871 12.9035 12.9035 k = 0.3333 0.5774 0.2664 ( 4236 PWs) bands (ev): -31.9818 -31.9818 -31.9818 -31.9818 -13.2884 -13.2884 -13.2875 -13.2875 -12.9149 -12.9149 -12.9134 -12.9134 -12.9133 -12.9133 -12.9129 -12.9129 -1.5481 -1.5481 -1.5458 -1.5458 3.9228 3.9228 3.9949 3.9949 5.1173 5.1173 5.1984 5.1984 5.3179 5.3179 5.3725 5.3725 5.7125 5.7125 5.9222 5.9222 5.9250 5.9250 6.0059 6.0059 6.1377 6.1377 6.2036 6.2036 6.2372 6.2372 6.3858 6.3858 8.0068 8.0068 8.0455 8.0455 9.8133 9.8133 9.8212 9.8212 12.7760 12.7760 12.7871 12.7871 12.9035 12.9035 k = 0.3268 0.5660 0.2664 ( 4236 PWs) bands (ev): -31.9819 -31.9819 -31.9818 -31.9818 -13.2884 -13.2884 -13.2875 -13.2875 -12.9152 -12.9152 -12.9142 -12.9142 -12.9125 -12.9125 -12.9125 -12.9125 -1.5487 -1.5487 -1.5464 -1.5464 3.9218 3.9218 3.9935 3.9935 5.1203 5.1203 5.2003 5.2003 5.3184 5.3184 5.3727 5.3727 5.7127 5.7127 5.9221 5.9221 5.9251 5.9251 6.0063 6.0063 6.1377 6.1377 6.2036 6.2036 6.2388 6.2388 6.3874 6.3874 8.0058 8.0058 8.0444 8.0444 9.8135 9.8135 9.8214 9.8214 12.7695 12.7695 12.7773 12.7773 12.9098 12.9098 k = 0.3203 0.5547 0.2664 ( 4234 PWs) bands (ev): -31.9819 -31.9819 -31.9819 -31.9819 -13.2884 -13.2884 -13.2874 -13.2874 -12.9158 -12.9158 -12.9149 -12.9149 -12.9119 -12.9119 -12.9116 -12.9116 -1.5505 -1.5505 -1.5483 -1.5483 3.9190 3.9190 3.9895 3.9895 5.1290 5.1290 5.2058 5.2058 5.3203 5.3203 5.3733 5.3733 5.7132 5.7132 5.9217 5.9217 5.9253 5.9253 6.0076 6.0076 6.1378 6.1378 6.2034 6.2034 6.2438 6.2438 6.3921 6.3921 8.0025 8.0025 8.0409 8.0409 9.8143 9.8143 9.8223 9.8223 12.7493 12.7493 12.7501 12.7501 12.9286 12.9286 k = 0.3137 0.5434 0.2664 ( 4230 PWs) bands (ev): -31.9819 -31.9819 -31.9819 -31.9819 -13.2883 -13.2883 -13.2874 -13.2874 -12.9164 -12.9164 -12.9157 -12.9157 -12.9110 -12.9110 -12.9107 -12.9107 -1.5537 -1.5537 -1.5514 -1.5514 3.9150 3.9150 3.9836 3.9836 5.1426 5.1426 5.2139 5.2139 5.3236 5.3236 5.3744 5.3744 5.7143 5.7143 5.9213 5.9213 5.9256 5.9256 6.0095 6.0095 6.1382 6.1382 6.2032 6.2032 6.2523 6.2523 6.4001 6.4001 7.9969 7.9969 8.0350 8.0350 9.8160 9.8160 9.8241 9.8241 12.7120 12.7120 12.7172 12.7172 12.9555 12.9556 k = 0.3072 0.5321 0.2664 ( 4230 PWs) bands (ev): -31.9819 -31.9819 -31.9819 -31.9819 -13.2882 -13.2882 -13.2873 -13.2873 -12.9170 -12.9170 -12.9163 -12.9163 -12.9102 -12.9102 -12.9098 -12.9098 -1.5582 -1.5582 -1.5560 -1.5560 3.9102 3.9102 3.9764 3.9764 5.1599 5.1599 5.2237 5.2237 5.3288 5.3288 5.3762 5.3762 5.7162 5.7162 5.9213 5.9213 5.9261 5.9261 6.0117 6.0117 6.1387 6.1387 6.2030 6.2030 6.2643 6.2643 6.4113 6.4113 7.9887 7.9887 8.0264 8.0264 9.8191 9.8191 9.8272 9.8272 12.6677 12.6677 12.6769 12.6769 12.9869 12.9870 k = 0.3007 0.5207 0.2664 ( 4236 PWs) bands (ev): -31.9819 -31.9819 -31.9819 -31.9819 -13.2881 -13.2881 -13.2872 -13.2872 -12.9176 -12.9176 -12.9169 -12.9169 -12.9093 -12.9093 -12.9089 -12.9089 -1.5642 -1.5642 -1.5621 -1.5621 3.9053 3.9053 3.9687 3.9687 5.1798 5.1798 5.2338 5.2338 5.3362 5.3362 5.3789 5.3789 5.7191 5.7191 5.9222 5.9222 5.9268 5.9268 6.0140 6.0140 6.1397 6.1397 6.2027 6.2027 6.2799 6.2799 6.4259 6.4259 7.9779 7.9779 8.0150 8.0150 9.8237 9.8237 9.8319 9.8319 12.6199 12.6199 12.6313 12.6313 13.0201 13.0202 k = 0.2941 0.5094 0.2664 ( 4244 PWs) bands (ev): -31.9820 -31.9820 -31.9820 -31.9820 -13.2880 -13.2880 -13.2871 -13.2871 -12.9181 -12.9181 -12.9175 -12.9175 -12.9084 -12.9084 -12.9080 -12.9080 -1.5718 -1.5718 -1.5697 -1.5697 3.9008 3.9008 3.9612 3.9612 5.2007 5.2007 5.2431 5.2431 5.3460 5.3460 5.3827 5.3827 5.7236 5.7236 5.9246 5.9246 5.9277 5.9277 6.0162 6.0162 6.1409 6.1409 6.2024 6.2024 6.2993 6.2993 6.4438 6.4438 7.9643 7.9643 8.0007 8.0007 9.8302 9.8302 9.8385 9.8385 12.5698 12.5698 12.5826 12.5826 13.0518 13.0526 k = 0.2876 0.4981 0.2664 ( 4240 PWs) bands (ev): -31.9820 -31.9820 -31.9820 -31.9820 -13.2878 -13.2878 -13.2869 -13.2869 -12.9184 -12.9184 -12.9179 -12.9179 -12.9075 -12.9075 -12.9071 -12.9071 -1.5808 -1.5808 -1.5788 -1.5788 3.8972 3.8972 3.9544 3.9544 5.2211 5.2211 5.2509 5.2509 5.3579 5.3579 5.3880 5.3880 5.7303 5.7303 5.9290 5.9290 5.9291 5.9291 6.0182 6.0182 6.1426 6.1426 6.2021 6.2021 6.3226 6.3226 6.4652 6.4652 7.9479 7.9479 7.9836 7.9836 9.8390 9.8390 9.8474 9.8474 12.5185 12.5185 12.5318 12.5318 13.0758 13.0777 k = 0.2810 0.4868 0.2664 ( 4236 PWs) bands (ev): -31.9820 -31.9820 -31.9820 -31.9820 -13.2875 -13.2875 -13.2867 -13.2867 -12.9188 -12.9188 -12.9182 -12.9182 -12.9066 -12.9066 -12.9061 -12.9061 -1.5914 -1.5914 -1.5895 -1.5895 3.8949 3.8949 3.9490 3.9490 5.2393 5.2393 5.2570 5.2570 5.3708 5.3708 5.3949 5.3949 5.7397 5.7397 5.9308 5.9308 5.9363 5.9363 6.0201 6.0201 6.1446 6.1446 6.2020 6.2020 6.3498 6.3498 6.4901 6.4901 7.9288 7.9288 7.9636 7.9636 9.8502 9.8502 9.8588 9.8588 12.4665 12.4665 12.4799 12.4799 13.0804 13.0810 k = 0.2745 0.4755 0.2664 ( 4236 PWs) bands (ev): -31.9821 -31.9821 -31.9821 -31.9821 -13.2873 -13.2873 -13.2864 -13.2864 -12.9190 -12.9190 -12.9185 -12.9185 -12.9056 -12.9056 -12.9052 -12.9052 -1.6036 -1.6036 -1.6017 -1.6017 3.8943 3.8943 3.9454 3.9454 5.2542 5.2542 5.2615 5.2615 5.3838 5.3838 5.4031 5.4031 5.7527 5.7527 5.9332 5.9332 5.9463 5.9463 6.0221 6.0221 6.1468 6.1468 6.2018 6.2018 6.3811 6.3811 6.5185 6.5185 7.9070 7.9070 7.9408 7.9408 9.8641 9.8641 9.8728 9.8728 12.4141 12.4141 12.4273 12.4273 13.0617 13.0621 k = 0.2680 0.4641 0.2664 ( 4226 PWs) bands (ev): -31.9822 -31.9822 -31.9822 -31.9822 -13.2869 -13.2869 -13.2861 -13.2861 -12.9192 -12.9192 -12.9187 -12.9187 -12.9047 -12.9047 -12.9042 -12.9042 -1.6174 -1.6174 -1.6156 -1.6156 3.8959 3.8959 3.9439 3.9439 5.2648 5.2648 5.2653 5.2653 5.3956 5.3956 5.4120 5.4120 5.7698 5.7698 5.9364 5.9364 5.9591 5.9591 6.0249 6.0249 6.1492 6.1492 6.2019 6.2019 6.4165 6.4165 6.5505 6.5505 7.8825 7.8825 7.9153 7.9153 9.8808 9.8808 9.8897 9.8897 12.3618 12.3618 12.3745 12.3745 13.0282 13.0284 k = 0.2614 0.4528 0.2664 ( 4230 PWs) bands (ev): -31.9822 -31.9822 -31.9822 -31.9822 -13.2866 -13.2866 -13.2858 -13.2858 -12.9193 -12.9193 -12.9189 -12.9189 -12.9037 -12.9037 -12.9033 -12.9033 -1.6327 -1.6327 -1.6310 -1.6310 3.8997 3.8997 3.9448 3.9448 5.2669 5.2669 5.2725 5.2725 5.4054 5.4054 5.4204 5.4204 5.7910 5.7910 5.9409 5.9409 5.9735 5.9735 6.0299 6.0299 6.1518 6.1518 6.2021 6.2021 6.4560 6.4560 6.5861 6.5861 7.8556 7.8556 7.8873 7.8873 9.9005 9.9005 9.9095 9.9095 12.3096 12.3096 12.3217 12.3217 12.9841 12.9843 k = 0.2549 0.4415 0.2664 ( 4226 PWs) bands (ev): -31.9823 -31.9823 -31.9823 -31.9823 -13.2862 -13.2862 -13.2855 -13.2855 -12.9194 -12.9194 -12.9189 -12.9189 -12.9028 -12.9028 -12.9023 -12.9023 -1.6495 -1.6495 -1.6479 -1.6479 3.9060 3.9060 3.9484 3.9484 5.2683 5.2683 5.2765 5.2765 5.4125 5.4125 5.4273 5.4273 5.8158 5.8158 5.9473 5.9473 5.9867 5.9867 6.0401 6.0401 6.1546 6.1546 6.2025 6.2025 6.4996 6.4996 6.6253 6.6253 7.8264 7.8264 7.8569 7.8569 9.9232 9.9232 9.9324 9.9324 12.2579 12.2579 12.2692 12.2692 12.9321 12.9323 k = 0.2484 0.4302 0.2664 ( 4232 PWs) bands (ev): -31.9824 -31.9824 -31.9824 -31.9824 -13.2858 -13.2858 -13.2851 -13.2851 -12.9194 -12.9194 -12.9190 -12.9190 -12.9018 -12.9018 -12.9014 -12.9014 -1.6678 -1.6678 -1.6662 -1.6662 3.9149 3.9149 3.9547 3.9547 5.2688 5.2688 5.2778 5.2778 5.4169 5.4169 5.4322 5.4322 5.8425 5.8425 5.9570 5.9570 5.9952 5.9952 6.0584 6.0584 6.1578 6.1578 6.2033 6.2033 6.5473 6.5473 6.6682 6.6682 7.7951 7.7951 7.8244 7.8244 9.9491 9.9491 9.9584 9.9584 12.2068 12.2068 12.2172 12.2172 12.8747 12.8748 k = 0.2418 0.4189 0.2664 ( 4232 PWs) bands (ev): -31.9825 -31.9825 -31.9825 -31.9825 -13.2854 -13.2854 -13.2847 -13.2847 -12.9193 -12.9193 -12.9189 -12.9189 -12.9008 -12.9008 -12.9004 -12.9004 -1.6874 -1.6874 -1.6860 -1.6860 3.9265 3.9265 3.9638 3.9638 5.2685 5.2685 5.2769 5.2769 5.4186 5.4186 5.4347 5.4347 5.8680 5.8680 5.9725 5.9725 5.9993 5.9993 6.0839 6.0839 6.1621 6.1621 6.2047 6.2047 6.5989 6.5989 6.7147 6.7147 7.7621 7.7621 7.7901 7.7901 9.9780 9.9780 9.9875 9.9875 12.1565 12.1565 12.1659 12.1659 12.8132 12.8132 k = 0.2353 0.4075 0.2664 ( 4240 PWs) bands (ev): -31.9826 -31.9826 -31.9826 -31.9826 -13.2849 -13.2849 -13.2842 -13.2842 -12.9191 -12.9191 -12.9188 -12.9188 -12.8999 -12.8999 -12.8994 -12.8994 -1.7084 -1.7084 -1.7070 -1.7070 3.9409 3.9409 3.9758 3.9758 5.2675 5.2675 5.2740 5.2740 5.4178 5.4178 5.4352 5.4352 5.8888 5.8888 5.9959 5.9959 6.0008 6.0008 6.1119 6.1119 6.1696 6.1696 6.2070 6.2070 6.6544 6.6544 6.7647 6.7647 7.7276 7.7276 7.7543 7.7543 10.0101 10.0101 10.0197 10.0197 12.1070 12.1070 12.1153 12.1153 12.7490 12.7492 k = 0.2288 0.3962 0.2664 ( 4244 PWs) bands (ev): -31.9827 -31.9827 -31.9827 -31.9827 -13.2844 -13.2844 -13.2838 -13.2838 -12.9189 -12.9189 -12.9186 -12.9186 -12.8989 -12.8989 -12.8984 -12.8984 -1.7306 -1.7306 -1.7293 -1.7293 3.9579 3.9579 3.9906 3.9906 5.2655 5.2655 5.2696 5.2696 5.4151 5.4151 5.4339 5.4339 5.9035 5.9035 6.0011 6.0011 6.0273 6.0273 6.1346 6.1346 6.1867 6.1867 6.2112 6.2112 6.7135 6.7135 6.8181 6.8181 7.6920 7.6920 7.7174 7.7174 10.0453 10.0453 10.0549 10.0549 12.0586 12.0586 12.0657 12.0657 12.6831 12.6832 k = 0.2222 0.3849 0.2664 ( 4244 PWs) bands (ev): -31.9828 -31.9828 -31.9828 -31.9828 -13.2838 -13.2838 -13.2832 -13.2832 -12.9187 -12.9187 -12.9184 -12.9184 -12.8978 -12.8978 -12.8974 -12.8974 -1.7538 -1.7538 -1.7527 -1.7527 3.9775 3.9775 4.0081 4.0081 5.2626 5.2626 5.2636 5.2636 5.4110 5.4110 5.4313 5.4313 5.9137 5.9137 6.0008 6.0008 6.0629 6.0629 6.1459 6.1459 6.2185 6.2185 6.2188 6.2188 6.7759 6.7759 6.8746 6.8746 7.6557 7.6557 7.6798 7.6798 10.0835 10.0835 10.0931 10.0931 12.0113 12.0113 12.0171 12.0171 12.6163 12.6163 k = 0.2157 0.3736 0.2664 ( 4246 PWs) bands (ev): -31.9829 -31.9829 -31.9829 -31.9829 -13.2832 -13.2832 -13.2827 -13.2827 -12.9184 -12.9184 -12.9181 -12.9181 -12.8968 -12.8968 -12.8964 -12.8964 -1.7782 -1.7782 -1.7771 -1.7771 3.9996 3.9996 4.0283 4.0283 5.2564 5.2564 5.2586 5.2586 5.4057 5.4057 5.4276 5.4276 5.9211 5.9211 6.0001 6.0001 6.0971 6.0971 6.1507 6.1507 6.2330 6.2330 6.2595 6.2595 6.8411 6.8411 6.9339 6.9339 7.6193 7.6193 7.6420 7.6420 10.1245 10.1245 10.1343 10.1343 11.9652 11.9652 11.9697 11.9697 12.5492 12.5492 k = 0.2092 0.3623 0.2664 ( 4234 PWs) bands (ev): -31.9830 -31.9830 -31.9830 -31.9830 -13.2826 -13.2826 -13.2821 -13.2821 -12.9180 -12.9180 -12.9177 -12.9177 -12.8957 -12.8957 -12.8953 -12.8953 -1.8034 -1.8034 -1.8024 -1.8024 4.0241 4.0241 4.0510 4.0510 5.2479 5.2479 5.2534 5.2534 5.4000 5.4000 5.4234 5.4234 5.9270 5.9270 5.9993 5.9993 6.1240 6.1240 6.1530 6.1530 6.2583 6.2583 6.3054 6.3054 6.9086 6.9086 6.9955 6.9955 7.5834 7.5834 7.6049 7.6049 10.1685 10.1685 10.1782 10.1782 11.9205 11.9205 11.9235 11.9235 12.4822 12.4823 k = 0.2026 0.3509 0.2664 ( 4242 PWs) bands (ev): -31.9832 -31.9832 -31.9832 -31.9832 -13.2819 -13.2819 -13.2815 -13.2815 -12.9176 -12.9176 -12.9173 -12.9173 -12.8947 -12.8947 -12.8943 -12.8943 -1.8293 -1.8293 -1.8285 -1.8285 4.0508 4.0508 4.0760 4.0760 5.2382 5.2382 5.2469 5.2469 5.3940 5.3940 5.4186 5.4186 5.9320 5.9320 5.9983 5.9983 6.1406 6.1406 6.1541 6.1541 6.2965 6.2965 6.3544 6.3544 6.9775 6.9775 7.0585 7.0585 7.5489 7.5489 7.5692 7.5692 10.2151 10.2151 10.2248 10.2248 11.8770 11.8770 11.8787 11.8787 12.4158 12.4158 k = 0.1961 0.3396 0.2664 ( 4242 PWs) bands (ev): -31.9833 -31.9833 -31.9833 -31.9833 -13.2813 -13.2813 -13.2808 -13.2808 -12.9171 -12.9171 -12.9169 -12.9169 -12.8936 -12.8936 -12.8932 -12.8932 -1.8560 -1.8560 -1.8552 -1.8552 4.0795 4.0795 4.1031 4.1031 5.2275 5.2275 5.2390 5.2390 5.3881 5.3881 5.4136 5.4136 5.9364 5.9364 5.9972 5.9972 6.1494 6.1494 6.1545 6.1545 6.3446 6.3446 6.4060 6.4060 7.0465 7.0465 7.1213 7.1213 7.5172 7.5172 7.5367 7.5367 10.2644 10.2644 10.2740 10.2740 11.8351 11.8351 11.8352 11.8352 12.3503 12.3503 k = 0.1895 0.3283 0.2664 ( 4246 PWs) bands (ev): -31.9834 -31.9834 -31.9834 -31.9834 -13.2806 -13.2806 -13.2802 -13.2802 -12.9167 -12.9167 -12.9165 -12.9165 -12.8925 -12.8925 -12.8921 -12.8921 -1.8832 -1.8832 -1.8824 -1.8824 4.1101 4.1101 4.1322 4.1322 5.2158 5.2158 5.2297 5.2297 5.3825 5.3825 5.4085 5.4085 5.9404 5.9404 5.9961 5.9961 6.1535 6.1535 6.1543 6.1543 6.3992 6.3992 6.4599 6.4599 7.1131 7.1131 7.1809 7.1809 7.4910 7.4910 7.5107 7.5107 10.3161 10.3161 10.3257 10.3257 11.7932 11.7932 11.7947 11.7947 12.2860 12.2860 k = 0.1830 0.3170 0.2664 ( 4250 PWs) bands (ev): -31.9836 -31.9836 -31.9836 -31.9836 -13.2799 -13.2799 -13.2795 -13.2795 -12.9162 -12.9162 -12.9160 -12.9160 -12.8913 -12.8913 -12.8910 -12.8910 -1.9107 -1.9107 -1.9101 -1.9101 4.1423 4.1423 4.1630 4.1630 5.2034 5.2034 5.2191 5.2191 5.3772 5.3772 5.4033 5.4033 5.9441 5.9441 5.9949 5.9949 6.1536 6.1536 6.1550 6.1550 6.4577 6.4577 6.5155 6.5155 7.1724 7.1724 7.2311 7.2311 7.4751 7.4751 7.4973 7.4973 10.3700 10.3700 10.3796 10.3796 11.7528 11.7528 11.7559 11.7559 12.2230 12.2230 k = 0.1765 0.3057 0.2664 ( 4244 PWs) bands (ev): -31.9837 -31.9837 -31.9837 -31.9837 -13.2791 -13.2791 -13.2788 -13.2788 -12.9157 -12.9157 -12.9155 -12.9155 -12.8901 -12.8901 -12.8899 -12.8899 -1.9386 -1.9386 -1.9380 -1.9380 4.1759 4.1759 4.1954 4.1954 5.1903 5.1903 5.2074 5.2074 5.3724 5.3724 5.3981 5.3981 5.9476 5.9476 5.9938 5.9938 6.1526 6.1526 6.1550 6.1550 6.5189 6.5189 6.5727 6.5727 7.2163 7.2163 7.2623 7.2623 7.4783 7.4783 7.5067 7.5067 10.4262 10.4262 10.4357 10.4357 11.7140 11.7140 11.7187 11.7187 12.1617 12.1617 k = 0.1699 0.2943 0.2664 ( 4248 PWs) bands (ev): -31.9839 -31.9839 -31.9839 -31.9839 -13.2784 -13.2784 -13.2781 -13.2781 -12.9151 -12.9151 -12.9150 -12.9150 -12.8890 -12.8890 -12.8887 -12.8887 -1.9666 -1.9666 -1.9661 -1.9661 4.2107 4.2107 4.2290 4.2290 5.1766 5.1766 5.1946 5.1946 5.3680 5.3680 5.3929 5.3929 5.9509 5.9509 5.9927 5.9927 6.1511 6.1511 6.1539 6.1539 6.5816 6.5816 6.6307 6.6307 7.2371 7.2371 7.2694 7.2694 7.5086 7.5086 7.5441 7.5441 10.4842 10.4842 10.4936 10.4936 11.6769 11.6769 11.6833 11.6833 12.1018 12.1019 k = 0.1634 0.2830 0.2664 ( 4250 PWs) bands (ev): -31.9840 -31.9840 -31.9840 -31.9840 -13.2777 -13.2777 -13.2774 -13.2774 -12.9146 -12.9146 -12.9145 -12.9145 -12.8877 -12.8877 -12.8875 -12.8875 -1.9946 -1.9946 -1.9942 -1.9942 4.2465 4.2465 4.2636 4.2636 5.1624 5.1624 5.1811 5.1811 5.3638 5.3638 5.3876 5.3876 5.9539 5.9539 5.9915 5.9915 6.1494 6.1494 6.1521 6.1521 6.6447 6.6447 6.6885 6.6885 7.2388 7.2388 7.2605 7.2605 7.5631 7.5631 7.6025 7.6025 10.5439 10.5439 10.5532 10.5532 11.6416 11.6416 11.6496 11.6496 12.0435 12.0435 k = 0.1569 0.2717 0.2664 ( 4250 PWs) bands (ev): -31.9842 -31.9842 -31.9842 -31.9842 -13.2769 -13.2769 -13.2767 -13.2767 -12.9141 -12.9141 -12.9140 -12.9140 -12.8865 -12.8865 -12.8863 -12.8863 -2.0226 -2.0226 -2.0221 -2.0221 4.2830 4.2830 4.2991 4.2991 5.1480 5.1480 5.1669 5.1669 5.3599 5.3599 5.3823 5.3823 5.9567 5.9567 5.9903 5.9903 6.1473 6.1473 6.1498 6.1498 6.7067 6.7067 6.7445 6.7445 7.2325 7.2325 7.2464 7.2464 7.6321 7.6321 7.6721 7.6721 10.6049 10.6049 10.6142 10.6142 11.6081 11.6081 11.6177 11.6177 11.9873 11.9873 k = 0.1503 0.2604 0.2664 ( 4246 PWs) bands (ev): -31.9843 -31.9843 -31.9843 -31.9843 -13.2762 -13.2762 -13.2760 -13.2760 -12.9136 -12.9136 -12.9135 -12.9135 -12.8852 -12.8852 -12.8850 -12.8850 -2.0503 -2.0503 -2.0499 -2.0499 4.3201 4.3201 4.3352 4.3352 5.1334 5.1334 5.1523 5.1523 5.3561 5.3561 5.3770 5.3770 5.9593 5.9593 5.9891 5.9891 6.1449 6.1449 6.1470 6.1470 6.7651 6.7651 6.7958 6.7958 7.2280 7.2280 7.2349 7.2349 7.7086 7.7086 7.7477 7.7477 10.6668 10.6668 10.6761 10.6761 11.5764 11.5764 11.5877 11.5877 11.9336 11.9336 k = 0.1438 0.2491 0.2664 ( 4262 PWs) bands (ev): -31.9845 -31.9845 -31.9845 -31.9845 -13.2755 -13.2755 -13.2753 -13.2753 -12.9131 -12.9131 -12.9130 -12.9130 -12.8840 -12.8840 -12.8838 -12.8838 -2.0776 -2.0776 -2.0773 -2.0773 4.3573 4.3573 4.3716 4.3716 5.1187 5.1187 5.1373 5.1373 5.3522 5.3522 5.3716 5.3716 5.9615 5.9615 5.9878 5.9878 6.1421 6.1421 6.1439 6.1439 6.8158 6.8158 6.8383 6.8383 7.2324 7.2324 7.2329 7.2329 7.7890 7.7890 7.8264 7.8264 10.7292 10.7292 10.7385 10.7385 11.5467 11.5467 11.5596 11.5596 11.8827 11.8827 k = 0.1373 0.2377 0.2664 ( 4258 PWs) bands (ev): -31.9846 -31.9846 -31.9846 -31.9846 -13.2748 -13.2748 -13.2746 -13.2746 -12.9126 -12.9126 -12.9125 -12.9125 -12.8827 -12.8827 -12.8825 -12.8825 -2.1046 -2.1046 -2.1043 -2.1043 4.3947 4.3947 4.4082 4.4082 5.1041 5.1041 5.1223 5.1223 5.3484 5.3484 5.3661 5.3661 5.9636 5.9636 5.9865 5.9865 6.1392 6.1392 6.1406 6.1406 6.8541 6.8541 6.8677 6.8677 7.2452 7.2452 7.2535 7.2535 7.8713 7.8713 7.9068 7.9068 10.7915 10.7915 10.8007 10.8007 11.5189 11.5189 11.5334 11.5334 11.8349 11.8349 k = 0.1307 0.2264 0.2664 ( 4258 PWs) bands (ev): -31.9848 -31.9848 -31.9848 -31.9848 -13.2740 -13.2740 -13.2739 -13.2739 -12.9121 -12.9121 -12.9121 -12.9121 -12.8814 -12.8814 -12.8812 -12.8812 -2.1309 -2.1309 -2.1307 -2.1307 4.4320 4.4320 4.4447 4.4447 5.0896 5.0896 5.1073 5.1073 5.3444 5.3444 5.3604 5.3604 5.9653 5.9653 5.9852 5.9852 6.1361 6.1361 6.1370 6.1370 6.8759 6.8759 6.8818 6.8818 7.2778 7.2778 7.2926 7.2926 7.9543 7.9543 7.9878 7.9878 10.8527 10.8527 10.8619 10.8619 11.4932 11.4932 11.5090 11.5090 11.7908 11.7908 k = 0.1242 0.2151 0.2664 ( 4262 PWs) bands (ev): -31.9849 -31.9849 -31.9849 -31.9849 -13.2734 -13.2734 -13.2732 -13.2732 -12.9117 -12.9117 -12.9116 -12.9116 -12.8801 -12.8801 -12.8799 -12.8799 -2.1567 -2.1567 -2.1565 -2.1565 4.4690 4.4690 4.4810 4.4810 5.0753 5.0753 5.0923 5.0923 5.3402 5.3402 5.3546 5.3546 5.9669 5.9669 5.9839 5.9839 6.1328 6.1328 6.1334 6.1334 6.8819 6.8819 6.8825 6.8825 7.3302 7.3302 7.3490 7.3490 8.0374 8.0374 8.0688 8.0688 10.9117 10.9117 10.9208 10.9208 11.4697 11.4697 11.4866 11.4866 11.7512 11.7512 k = 0.1176 0.2038 0.2664 ( 4262 PWs) bands (ev): -31.9851 -31.9851 -31.9851 -31.9851 -13.2727 -13.2727 -13.2726 -13.2726 -12.9112 -12.9112 -12.9112 -12.9112 -12.8788 -12.8788 -12.8787 -12.8787 -2.1816 -2.1816 -2.1815 -2.1815 4.5055 4.5055 4.5169 4.5169 5.0613 5.0613 5.0777 5.0777 5.3358 5.3358 5.3486 5.3486 5.9681 5.9681 5.9825 5.9825 6.1293 6.1293 6.1296 6.1296 6.8739 6.8739 6.8763 6.8763 7.3982 7.3982 7.4188 7.4188 8.1197 8.1197 8.1492 8.1492 10.9666 10.9666 10.9754 10.9754 11.4488 11.4488 11.4662 11.4662 11.7170 11.7171 k = 0.1111 0.1925 0.2664 ( 4254 PWs) bands (ev): -31.9852 -31.9852 -31.9852 -31.9852 -13.2720 -13.2720 -13.2719 -13.2719 -12.9108 -12.9108 -12.9108 -12.9108 -12.8774 -12.8774 -12.8773 -12.8773 -2.2058 -2.2058 -2.2056 -2.2056 4.5413 4.5413 4.5521 4.5521 5.0478 5.0478 5.0634 5.0634 5.3312 5.3312 5.3425 5.3425 5.9691 5.9691 5.9811 5.9811 6.1257 6.1257 6.1257 6.1257 6.8598 6.8598 6.8635 6.8635 7.4778 7.4778 7.4986 7.4986 8.2009 8.2009 8.2286 8.2286 11.0150 11.0150 11.0232 11.0232 11.4312 11.4312 11.4483 11.4483 11.6898 11.6898 k = 0.1046 0.1811 0.2664 ( 4262 PWs) bands (ev): -31.9854 -31.9854 -31.9854 -31.9854 -13.2714 -13.2714 -13.2713 -13.2713 -12.9104 -12.9104 -12.9104 -12.9104 -12.8762 -12.8762 -12.8761 -12.8761 -2.2290 -2.2290 -2.2289 -2.2289 4.5763 4.5763 4.5865 4.5865 5.0346 5.0346 5.0494 5.0494 5.3262 5.3262 5.3361 5.3361 5.9697 5.9697 5.9797 5.9797 6.1219 6.1219 6.1221 6.1221 6.8427 6.8427 6.8467 6.8467 7.5654 7.5654 7.5856 7.5856 8.2805 8.2805 8.3063 8.3063 11.0533 11.0533 11.0602 11.0602 11.4182 11.4182 11.4339 11.4339 11.6708 11.6722 k = 0.0980 0.1698 0.2664 ( 4268 PWs) bands (ev): -31.9855 -31.9855 -31.9855 -31.9855 -13.2708 -13.2708 -13.2707 -13.2707 -12.9101 -12.9101 -12.9101 -12.9101 -12.8749 -12.8749 -12.8749 -12.8749 -2.2512 -2.2512 -2.2511 -2.2511 4.6103 4.6103 4.6200 4.6200 5.0221 5.0221 5.0361 5.0361 5.3210 5.3210 5.3295 5.3295 5.9701 5.9701 5.9782 5.9782 6.1180 6.1180 6.1184 6.1184 6.8242 6.8242 6.8281 6.8281 7.6592 7.6592 7.6783 7.6783 8.3579 8.3579 8.3820 8.3820 11.0771 11.0771 11.0821 11.0821 11.4117 11.4117 11.4248 11.4248 11.6613 11.6617 k = 0.0915 0.1585 0.2664 ( 4270 PWs) bands (ev): -31.9856 -31.9856 -31.9856 -31.9856 -13.2702 -13.2702 -13.2702 -13.2702 -12.9098 -12.9098 -12.9098 -12.9098 -12.8737 -12.8737 -12.8736 -12.8736 -2.2723 -2.2723 -2.2722 -2.2722 4.6432 4.6432 4.6523 4.6523 5.0103 5.0103 5.0234 5.0234 5.3154 5.3154 5.3227 5.3227 5.9703 5.9703 5.9767 5.9767 6.1142 6.1142 6.1147 6.1147 6.8053 6.8053 6.8089 6.8089 7.7576 7.7576 7.7755 7.7755 8.4328 8.4328 8.4552 8.4552 11.0829 11.0829 11.0852 11.0852 11.4129 11.4129 11.4225 11.4225 11.6620 11.6622 k = 0.0850 0.1472 0.2664 ( 4268 PWs) bands (ev): -31.9858 -31.9858 -31.9858 -31.9858 -13.2697 -13.2697 -13.2696 -13.2696 -12.9095 -12.9095 -12.9095 -12.9095 -12.8725 -12.8725 -12.8724 -12.8724 -2.2922 -2.2922 -2.2922 -2.2922 4.6748 4.6748 4.6834 4.6834 4.9992 4.9992 5.0113 5.0113 5.3096 5.3096 5.3157 5.3157 5.9702 5.9702 5.9753 5.9753 6.1106 6.1106 6.1112 6.1112 6.7867 6.7867 6.7899 6.7899 7.8598 7.8598 7.8764 7.8764 8.5047 8.5047 8.5254 8.5254 11.0691 11.0691 11.0693 11.0693 11.4208 11.4208 11.4273 11.4273 11.6718 11.6725 k = 0.0784 0.1358 0.2664 ( 4260 PWs) bands (ev): -31.9859 -31.9859 -31.9859 -31.9859 -13.2691 -13.2691 -13.2691 -13.2691 -12.9092 -12.9092 -12.9092 -12.9092 -12.8713 -12.8713 -12.8713 -12.8713 -2.3110 -2.3110 -2.3109 -2.3109 4.7050 4.7050 4.7130 4.7130 4.9890 4.9890 5.0002 5.0002 5.3035 5.3035 5.3086 5.3086 5.9700 5.9700 5.9738 5.9738 6.1072 6.1072 6.1077 6.1077 6.7689 6.7689 6.7715 6.7715 7.9650 7.9650 7.9802 7.9802 8.5732 8.5732 8.5923 8.5923 11.0363 11.0363 11.0382 11.0382 11.4330 11.4330 11.4374 11.4374 11.6880 11.6886 k = 0.0719 0.1245 0.2664 ( 4260 PWs) bands (ev): -31.9860 -31.9860 -31.9860 -31.9860 -13.2687 -13.2687 -13.2686 -13.2686 -12.9089 -12.9089 -12.9089 -12.9089 -12.8703 -12.8703 -12.8702 -12.8702 -2.3284 -2.3284 -2.3284 -2.3284 4.7334 4.7334 4.7409 4.7409 4.9797 4.9797 4.9899 4.9899 5.2972 5.2972 5.3014 5.3014 5.9695 5.9695 5.9724 5.9724 6.1039 6.1039 6.1044 6.1044 6.7521 6.7521 6.7542 6.7542 8.0724 8.0724 8.0864 8.0864 8.6378 8.6378 8.6554 8.6554 10.9898 10.9898 10.9927 10.9927 11.4479 11.4479 11.4513 11.4513 11.7063 11.7071 k = 0.0654 0.1132 0.2664 ( 4260 PWs) bands (ev): -31.9861 -31.9861 -31.9861 -31.9861 -13.2682 -13.2682 -13.2682 -13.2682 -12.9087 -12.9087 -12.9087 -12.9087 -12.8692 -12.8692 -12.8692 -12.8692 -2.3445 -2.3445 -2.3445 -2.3445 4.7601 4.7601 4.7670 4.7670 4.9715 4.9715 4.9806 4.9806 5.2907 5.2907 5.2940 5.2940 5.9689 5.9689 5.9710 5.9710 6.1008 6.1008 6.1013 6.1013 6.7363 6.7363 6.7380 6.7380 8.1814 8.1814 8.1941 8.1941 8.6983 8.6983 8.7143 8.7143 10.9325 10.9325 10.9356 10.9356 11.4649 11.4649 11.4679 11.4679 11.7225 11.7235 k = 0.0588 0.1019 0.2664 ( 4260 PWs) bands (ev): -31.9862 -31.9862 -31.9862 -31.9862 -13.2678 -13.2678 -13.2678 -13.2678 -12.9084 -12.9084 -12.9084 -12.9084 -12.8683 -12.8683 -12.8683 -12.8683 -2.3593 -2.3593 -2.3592 -2.3592 4.7848 4.7848 4.7910 4.7910 4.9644 4.9644 4.9725 4.9725 5.2840 5.2840 5.2866 5.2866 5.9682 5.9682 5.9697 5.9697 6.0979 6.0979 6.0983 6.0983 6.7219 6.7219 6.7232 6.7232 8.2911 8.2911 8.3026 8.3026 8.7543 8.7543 8.7687 8.7687 10.8662 10.8662 10.8693 10.8693 11.4840 11.4840 11.4870 11.4870 11.7310 11.7325 k = 0.0523 0.0906 0.2664 ( 4272 PWs) bands (ev): -31.9863 -31.9863 -31.9863 -31.9863 -13.2675 -13.2675 -13.2675 -13.2675 -12.9083 -12.9083 -12.9083 -12.9083 -12.8674 -12.8674 -12.8674 -12.8674 -2.3726 -2.3726 -2.3725 -2.3725 4.8071 4.8071 4.8125 4.8125 4.9587 4.9587 4.9656 4.9656 5.2773 5.2773 5.2792 5.2792 5.9674 5.9674 5.9684 5.9684 6.0953 6.0953 6.0956 6.0956 6.7088 6.7088 6.7098 6.7098 8.4006 8.4006 8.4110 8.4110 8.8053 8.8053 8.8181 8.8181 10.7929 10.7929 10.7956 10.7956 11.5055 11.5055 11.5085 11.5085 11.7320 11.7329 k = 0.0458 0.0792 0.2664 ( 4264 PWs) bands (ev): -31.9863 -31.9863 -31.9863 -31.9863 -13.2672 -13.2672 -13.2671 -13.2671 -12.9081 -12.9081 -12.9081 -12.9081 -12.8666 -12.8666 -12.8666 -12.8666 -2.3844 -2.3844 -2.3844 -2.3844 4.8268 4.8268 4.8313 4.8313 4.9548 4.9548 4.9603 4.9603 5.2707 5.2707 5.2721 5.2721 5.9666 5.9666 5.9673 5.9673 6.0930 6.0930 6.0932 6.0932 6.6972 6.6972 6.6978 6.6978 8.5086 8.5086 8.5179 8.5179 8.8512 8.8512 8.8625 8.8625 10.7144 10.7144 10.7167 10.7167 11.5290 11.5290 11.5321 11.5321 11.7260 11.7266 k = 0.0392 0.0679 0.2664 ( 4264 PWs) bands (ev): -31.9864 -31.9864 -31.9864 -31.9864 -13.2669 -13.2669 -13.2669 -13.2669 -12.9080 -12.9080 -12.9080 -12.9080 -12.8659 -12.8659 -12.8659 -12.8659 -2.3947 -2.3947 -2.3947 -2.3947 4.8434 4.8434 4.8470 4.8470 4.9526 4.9526 4.9569 4.9569 5.2643 5.2643 5.2653 5.2653 5.9659 5.9659 5.9663 5.9663 6.0909 6.0909 6.0911 6.0911 6.6871 6.6871 6.6875 6.6875 8.6136 8.6136 8.6217 8.6217 8.8918 8.8918 8.9014 8.9014 10.6331 10.6331 10.6349 10.6349 11.5542 11.5542 11.5572 11.5572 11.7156 11.7180 k = 0.0327 0.0566 0.2664 ( 4264 PWs) bands (ev): -31.9865 -31.9865 -31.9865 -31.9865 -13.2666 -13.2666 -13.2666 -13.2666 -12.9079 -12.9079 -12.9078 -12.9078 -12.8653 -12.8653 -12.8653 -12.8653 -2.4035 -2.4035 -2.4035 -2.4035 4.8567 4.8567 4.8592 4.8592 4.9524 4.9524 4.9553 4.9553 5.2583 5.2583 5.2589 5.2589 5.9651 5.9651 5.9653 5.9653 6.0892 6.0892 6.0893 6.0893 6.6784 6.6784 6.6787 6.6787 8.7132 8.7132 8.7201 8.7201 8.9269 8.9269 8.9349 8.9349 10.5519 10.5519 10.5532 10.5532 11.5803 11.5803 11.5831 11.5831 11.7036 11.7040 k = 0.0261 0.0453 0.2664 ( 4260 PWs) bands (ev): -31.9865 -31.9865 -31.9865 -31.9865 -13.2664 -13.2664 -13.2664 -13.2664 -12.9078 -12.9078 -12.9078 -12.9078 -12.8648 -12.8648 -12.8648 -12.8648 -2.4107 -2.4107 -2.4107 -2.4107 4.8665 4.8665 4.8679 4.8679 4.9540 4.9540 4.9556 4.9556 5.2530 5.2530 5.2533 5.2533 5.9645 5.9645 5.9646 5.9646 6.0877 6.0877 6.0878 6.0878 6.6713 6.6713 6.6715 6.6715 8.8043 8.8043 8.8099 8.8099 8.9567 8.9567 8.9630 8.9630 10.4742 10.4742 10.4750 10.4750 11.6059 11.6059 11.6083 11.6083 11.6920 11.6924 k = 0.0196 0.0340 0.2664 ( 4266 PWs) bands (ev): -31.9866 -31.9866 -31.9866 -31.9866 -13.2663 -13.2663 -13.2663 -13.2663 -12.9077 -12.9077 -12.9077 -12.9077 -12.8645 -12.8645 -12.8645 -12.8645 -2.4163 -2.4163 -2.4163 -2.4163 4.8730 4.8730 4.8737 4.8737 4.9565 4.9565 4.9573 4.9573 5.2484 5.2484 5.2486 5.2486 5.9639 5.9639 5.9639 5.9639 6.0866 6.0866 6.0866 6.0866 6.6658 6.6658 6.6659 6.6659 8.8825 8.8825 8.8866 8.8866 8.9816 8.9816 8.9861 8.9861 10.4046 10.4046 10.4050 10.4050 11.6292 11.6292 11.6311 11.6311 11.6824 11.6827 k = 0.0131 0.0226 0.2664 ( 4278 PWs) bands (ev): -31.9866 -31.9866 -31.9866 -31.9866 -13.2662 -13.2662 -13.2662 -13.2662 -12.9077 -12.9077 -12.9077 -12.9077 -12.8642 -12.8642 -12.8642 -12.8642 -2.4204 -2.4204 -2.4204 -2.4204 4.8769 4.8769 4.8771 4.8771 4.9592 4.9592 4.9594 4.9594 5.2450 5.2450 5.2450 5.2450 5.9634 5.9634 5.9635 5.9635 6.0857 6.0857 6.0857 6.0857 6.6618 6.6618 6.6618 6.6618 8.9413 8.9413 8.9435 8.9435 9.0034 9.0034 9.0057 9.0057 10.3484 10.3484 10.3485 10.3485 11.6477 11.6477 11.6488 11.6488 11.6761 11.6763 k = 0.0065 0.0113 0.2664 ( 4272 PWs) bands (ev): -31.9866 -31.9866 -31.9866 -31.9866 -13.2661 -13.2661 -13.2661 -13.2661 -12.9076 -12.9076 -12.9076 -12.9076 -12.8640 -12.8640 -12.8640 -12.8640 -2.4228 -2.4228 -2.4228 -2.4228 4.8788 4.8788 4.8789 4.8789 4.9612 4.9612 4.9612 4.9612 5.2428 5.2428 5.2428 5.2428 5.9632 5.9632 5.9632 5.9632 6.0852 6.0852 6.0852 6.0852 6.6594 6.6594 6.6594 6.6594 8.9741 8.9741 8.9745 8.9745 9.0228 9.0228 9.0231 9.0231 10.3114 10.3114 10.3114 10.3114 11.6579 11.6580 11.6581 11.6582 11.6748 11.6749 k = 0.0000 0.0000 0.2664 ( 4280 PWs) bands (ev): -31.9866 -31.9866 -31.9866 -31.9866 -13.2661 -13.2661 -13.2661 -13.2661 -12.9076 -12.9076 -12.9076 -12.9076 -12.8640 -12.8640 -12.8640 -12.8640 -2.4236 -2.4236 -2.4236 -2.4236 4.8794 4.8794 4.8794 4.8794 4.9619 4.9619 4.9619 4.9619 5.2420 5.2420 5.2420 5.2420 5.9631 5.9631 5.9631 5.9631 6.0850 6.0850 6.0850 6.0850 6.6586 6.6586 6.6586 6.6586 8.9833 8.9833 8.9833 8.9833 9.0313 9.0313 9.0313 9.0313 10.2984 10.2984 10.2984 10.2984 11.6600 11.6600 11.6600 11.6600 11.6758 11.6758 k = 0.5000 0.2887 0.2664 ( 4232 PWs) bands (ev): -31.9824 -31.9824 -31.9824 -31.9824 -13.2865 -13.2865 -13.2865 -13.2865 -12.9267 -12.9267 -12.9267 -12.9267 -12.8933 -12.8933 -12.8933 -12.8933 -1.6524 -1.6524 -1.6524 -1.6524 3.6350 3.6350 3.6350 3.6350 5.3512 5.3512 5.3512 5.3512 5.5263 5.5263 5.5263 5.5263 5.9578 5.9578 5.9578 5.9578 6.0165 6.0165 6.0165 6.0165 6.2049 6.2049 6.2049 6.2049 7.1120 7.1120 7.1120 7.1120 7.8364 7.8364 7.8364 7.8364 9.6418 9.6418 9.6418 9.6418 10.9981 10.9981 10.9981 10.9981 13.3073 13.3073 k = 0.5000 0.2887 0.2531 ( 4232 PWs) bands (ev): -31.9826 -31.9826 -31.9822 -31.9822 -13.2872 -13.2872 -13.2858 -13.2858 -12.9277 -12.9277 -12.9258 -12.9258 -12.8938 -12.8938 -12.8927 -12.8927 -1.6550 -1.6550 -1.6499 -1.6499 3.6098 3.6098 3.6612 3.6612 5.3475 5.3475 5.3548 5.3548 5.5257 5.5257 5.5270 5.5270 5.9565 5.9565 5.9590 5.9590 6.0138 6.0138 6.0193 6.0193 6.2035 6.2035 6.2059 6.2059 7.0984 7.0984 7.1257 7.1257 7.8048 7.8048 7.8639 7.8639 9.6216 9.6216 9.6611 9.6611 10.9953 10.9953 11.0129 11.0129 13.2818 13.2818 k = 0.5000 0.2887 0.2397 ( 4228 PWs) bands (ev): -31.9827 -31.9827 -31.9820 -31.9820 -13.2880 -13.2880 -13.2850 -13.2850 -12.9288 -12.9288 -12.9249 -12.9249 -12.8942 -12.8942 -12.8919 -12.8919 -1.6576 -1.6576 -1.6473 -1.6473 3.5856 3.5856 3.6882 3.6882 5.3438 5.3438 5.3584 5.3584 5.5251 5.5251 5.5275 5.5275 5.9550 5.9550 5.9600 5.9600 6.0111 6.0111 6.0221 6.0221 6.2018 6.2018 6.2066 6.2066 7.0849 7.0849 7.1394 7.1394 7.7702 7.7702 7.8868 7.8868 9.6020 9.6020 9.6779 9.6779 11.0035 11.0035 11.0408 11.0408 13.2461 13.2462 k = 0.5000 0.2887 0.2264 ( 4228 PWs) bands (ev): -31.9829 -31.9829 -31.9818 -31.9818 -13.2887 -13.2887 -13.2844 -13.2844 -12.9300 -12.9300 -12.9242 -12.9242 -12.8944 -12.8944 -12.8910 -12.8910 -1.6601 -1.6601 -1.6449 -1.6449 3.5625 3.5625 3.7160 3.7160 5.3399 5.3399 5.3621 5.3621 5.5246 5.5246 5.5281 5.5281 5.9535 5.9535 5.9608 5.9608 6.0085 6.0085 6.0249 6.0249 6.1997 6.1997 6.2069 6.2069 7.0716 7.0716 7.1530 7.1530 7.7333 7.7333 7.9043 7.9043 9.5849 9.5849 9.6910 9.6910 11.0210 11.0210 11.0821 11.0821 13.2057 13.2057 k = 0.5000 0.2887 0.2131 ( 4224 PWs) bands (ev): -31.9831 -31.9831 -31.9816 -31.9816 -13.2895 -13.2895 -13.2838 -13.2838 -12.9312 -12.9312 -12.9236 -12.9236 -12.8946 -12.8946 -12.8901 -12.8901 -1.6627 -1.6627 -1.6425 -1.6425 3.5406 3.5406 3.7443 3.7443 5.3358 5.3358 5.3659 5.3659 5.5240 5.5240 5.5287 5.5287 5.9519 5.9519 5.9614 5.9614 6.0060 6.0060 6.0279 6.0279 6.1974 6.1974 6.2069 6.2069 7.0587 7.0587 7.1665 7.1665 7.6948 7.6948 7.9158 7.9158 9.5718 9.5718 9.6999 9.6999 11.0466 11.0466 11.1370 11.1370 13.1640 13.1640 k = 0.5000 0.2887 0.1998 ( 4220 PWs) bands (ev): -31.9833 -31.9833 -31.9814 -31.9814 -13.2902 -13.2902 -13.2832 -13.2832 -12.9325 -12.9325 -12.9231 -12.9231 -12.8947 -12.8947 -12.8890 -12.8890 -1.6652 -1.6652 -1.6402 -1.6402 3.5200 3.5200 3.7731 3.7731 5.3316 5.3316 5.3698 5.3698 5.5235 5.5235 5.5293 5.5293 5.9503 5.9503 5.9618 5.9618 6.0034 6.0034 6.0308 6.0308 6.1949 6.1949 6.2064 6.2064 7.0462 7.0462 7.1796 7.1796 7.6556 7.6556 7.9214 7.9214 9.5638 9.5638 9.7044 9.7044 11.0788 11.0788 11.2048 11.2048 13.1228 13.1229 k = 0.5000 0.2887 0.1865 ( 4232 PWs) bands (ev): -31.9835 -31.9835 -31.9812 -31.9812 -13.2910 -13.2910 -13.2826 -13.2826 -12.9337 -12.9337 -12.9228 -12.9228 -12.8947 -12.8947 -12.8879 -12.8879 -1.6676 -1.6676 -1.6380 -1.6380 3.5005 3.5005 3.8022 3.8022 5.3270 5.3270 5.3737 5.3737 5.5230 5.5230 5.5298 5.5298 5.9487 5.9487 5.9618 5.9618 6.0009 6.0009 6.0336 6.0336 6.1920 6.1920 6.2055 6.2055 7.0341 7.0341 7.1924 7.1924 7.6163 7.6163 7.9208 7.9208 9.5615 9.5615 9.7049 9.7049 11.1162 11.1162 11.2847 11.2847 13.0831 13.0831 k = 0.5000 0.2887 0.1731 ( 4218 PWs) bands (ev): -31.9836 -31.9836 -31.9811 -31.9811 -13.2917 -13.2917 -13.2821 -13.2821 -12.9350 -12.9350 -12.9224 -12.9224 -12.8947 -12.8947 -12.8867 -12.8867 -1.6700 -1.6700 -1.6359 -1.6359 3.4824 3.4824 3.8312 3.8312 5.3222 5.3222 5.3779 5.3779 5.5226 5.5226 5.5304 5.5304 5.9472 5.9472 5.9618 5.9618 5.9985 5.9985 6.0365 6.0365 6.1891 6.1891 6.2044 6.2044 7.0225 7.0225 7.2047 7.2047 7.5775 7.5775 7.9148 7.9148 9.5651 9.5651 9.7019 9.7019 11.1576 11.1576 11.3753 11.3753 13.0453 13.0453 k = 0.5000 0.2887 0.1598 ( 4216 PWs) bands (ev): -31.9838 -31.9838 -31.9809 -31.9809 -13.2925 -13.2925 -13.2815 -13.2815 -12.9362 -12.9362 -12.9222 -12.9222 -12.8946 -12.8946 -12.8855 -12.8855 -1.6723 -1.6723 -1.6340 -1.6340 3.4656 3.4656 3.8601 3.8601 5.3170 5.3170 5.3821 5.3821 5.5222 5.5222 5.5309 5.5309 5.9458 5.9458 5.9615 5.9615 5.9961 5.9961 6.0394 6.0394 6.1861 6.1861 6.2029 6.2029 7.0116 7.0116 7.2165 7.2165 7.5398 7.5398 7.9039 7.9039 9.5743 9.5743 9.6962 9.6962 11.2019 11.2019 11.4754 11.4754 13.0098 13.0098 k = 0.5000 0.2887 0.1465 ( 4212 PWs) bands (ev): -31.9840 -31.9840 -31.9808 -31.9808 -13.2931 -13.2931 -13.2811 -13.2811 -12.9373 -12.9373 -12.9220 -12.9220 -12.8945 -12.8945 -12.8843 -12.8843 -1.6745 -1.6745 -1.6321 -1.6321 3.4501 3.4501 3.8886 3.8886 5.3117 5.3117 5.3863 5.3863 5.5218 5.5218 5.5314 5.5314 5.9445 5.9445 5.9609 5.9609 5.9937 5.9937 6.0421 6.0421 6.1830 6.1830 6.2011 6.2011 7.0013 7.0013 7.2277 7.2277 7.5035 7.5035 7.8890 7.8890 9.5884 9.5884 9.6887 9.6887 11.2480 11.2480 11.5837 11.5837 12.9767 12.9767 k = 0.5000 0.2887 0.1332 ( 4228 PWs) bands (ev): -31.9841 -31.9841 -31.9806 -31.9806 -13.2938 -13.2938 -13.2807 -13.2807 -12.9384 -12.9384 -12.9220 -12.9220 -12.8944 -12.8944 -12.8832 -12.8832 -1.6765 -1.6765 -1.6304 -1.6304 3.4360 3.4360 3.9163 3.9163 5.3060 5.3060 5.3905 5.3905 5.5214 5.5214 5.5318 5.5318 5.9433 5.9433 5.9601 5.9601 5.9913 5.9913 6.0447 6.0447 6.1799 6.1799 6.1991 6.1991 6.9916 6.9916 7.2382 7.2382 7.4692 7.4692 7.8710 7.8710 9.6063 9.6063 9.6800 9.6800 11.2948 11.2948 11.6987 11.6987 12.9460 12.9460 k = 0.5000 0.2887 0.1199 ( 4228 PWs) bands (ev): -31.9842 -31.9842 -31.9805 -31.9805 -13.2945 -13.2945 -13.2804 -13.2804 -12.9395 -12.9395 -12.9220 -12.9220 -12.8942 -12.8942 -12.8820 -12.8820 -1.6784 -1.6784 -1.6288 -1.6288 3.4232 3.4232 3.9429 3.9429 5.3003 5.3003 5.3947 5.3947 5.5211 5.5211 5.5322 5.5322 5.9423 5.9423 5.9591 5.9591 5.9890 5.9890 6.0472 6.0472 6.1769 6.1769 6.1969 6.1969 6.9828 6.9828 7.2479 7.2479 7.4372 7.4372 7.8513 7.8513 9.6263 9.6263 9.6715 9.6715 11.3412 11.3412 11.8194 11.8194 12.9182 12.9182 k = 0.5000 0.2887 0.1066 ( 4224 PWs) bands (ev): -31.9844 -31.9844 -31.9804 -31.9804 -13.2950 -13.2950 -13.2800 -13.2800 -12.9404 -12.9404 -12.9219 -12.9219 -12.8941 -12.8941 -12.8809 -12.8809 -1.6802 -1.6802 -1.6274 -1.6274 3.4117 3.4117 3.9681 3.9681 5.2945 5.2945 5.3988 5.3988 5.5209 5.5209 5.5326 5.5326 5.9415 5.9415 5.9580 5.9580 5.9869 5.9869 6.0496 6.0496 6.1741 6.1741 6.1946 6.1946 6.9747 6.9747 7.2566 7.2566 7.4079 7.4079 7.8308 7.8308 9.6438 9.6438 9.6672 9.6672 11.3864 11.3864 11.9444 11.9444 12.8931 12.8931 k = 0.5000 0.2887 0.0932 ( 4230 PWs) bands (ev): -31.9845 -31.9845 -31.9803 -31.9803 -13.2956 -13.2956 -13.2797 -13.2797 -12.9413 -12.9413 -12.9220 -12.9220 -12.8940 -12.8940 -12.8799 -12.8799 -1.6818 -1.6818 -1.6262 -1.6262 3.4016 3.4016 3.9916 3.9916 5.2887 5.2887 5.4027 5.4027 5.5206 5.5206 5.5328 5.5328 5.9410 5.9410 5.9567 5.9567 5.9849 5.9849 6.0517 6.0517 6.1714 6.1714 6.1923 6.1923 6.9675 6.9675 7.2644 7.2644 7.3816 7.3816 7.8104 7.8104 9.6448 9.6448 9.6802 9.6802 11.4291 11.4291 12.0727 12.0727 12.8708 12.8708 k = 0.5000 0.2887 0.0799 ( 4230 PWs) bands (ev): -31.9846 -31.9846 -31.9802 -31.9802 -13.2960 -13.2960 -13.2795 -13.2795 -12.9420 -12.9420 -12.9220 -12.9220 -12.8938 -12.8938 -12.8790 -12.8790 -1.6832 -1.6832 -1.6251 -1.6251 3.3929 3.3929 4.0130 4.0130 5.2832 5.2832 5.4063 5.4063 5.5204 5.5204 5.5331 5.5331 5.9407 5.9407 5.9553 5.9553 5.9831 5.9831 6.0537 6.0537 6.1690 6.1690 6.1901 6.1901 6.9612 6.9612 7.2711 7.2711 7.3586 7.3586 7.7911 7.7911 9.6378 9.6378 9.7013 9.7013 11.4687 11.4687 12.2030 12.2030 12.8514 12.8514 k = 0.5000 0.2887 0.0666 ( 4226 PWs) bands (ev): -31.9846 -31.9846 -31.9801 -31.9801 -13.2964 -13.2964 -13.2793 -13.2793 -12.9426 -12.9426 -12.9220 -12.9220 -12.8937 -12.8937 -12.8782 -12.8782 -1.6844 -1.6844 -1.6241 -1.6241 3.3855 3.3855 4.0319 4.0319 5.2781 5.2781 5.4096 5.4096 5.5203 5.5203 5.5333 5.5333 5.9406 5.9406 5.9539 5.9539 5.9814 5.9814 6.0554 6.0554 6.1669 6.1669 6.1880 6.1880 6.9558 6.9558 7.2764 7.2764 7.3392 7.3392 7.7736 7.7736 9.6305 9.6305 9.7222 9.7222 11.5040 11.5040 12.3342 12.3342 12.8349 12.8349 k = 0.5000 0.2887 0.0533 ( 4232 PWs) bands (ev): -31.9847 -31.9847 -31.9800 -31.9800 -13.2967 -13.2967 -13.2791 -13.2791 -12.9432 -12.9432 -12.9221 -12.9221 -12.8936 -12.8936 -12.8776 -12.8776 -1.6854 -1.6854 -1.6233 -1.6233 3.3794 3.3794 4.0479 4.0479 5.2736 5.2736 5.4124 5.4124 5.5202 5.5202 5.5335 5.5335 5.9407 5.9407 5.9524 5.9524 5.9799 5.9799 6.0569 6.0569 6.1650 6.1650 6.1861 6.1861 6.9513 6.9513 7.2801 7.2801 7.3239 7.3239 7.7584 7.7584 9.6239 9.6239 9.7409 9.7409 11.5342 11.5342 12.4650 12.4650 12.8213 12.8213 k = 0.5000 0.2887 0.0400 ( 4236 PWs) bands (ev): -31.9848 -31.9848 -31.9800 -31.9800 -13.2970 -13.2970 -13.2790 -13.2790 -12.9436 -12.9436 -12.9221 -12.9221 -12.8935 -12.8935 -12.8771 -12.8771 -1.6861 -1.6861 -1.6227 -1.6227 3.3747 3.3747 4.0607 4.0607 5.2698 5.2698 5.4147 5.4147 5.5201 5.5201 5.5337 5.5337 5.9409 5.9409 5.9510 5.9510 5.9788 5.9788 6.0580 6.0580 6.1636 6.1636 6.1845 6.1845 6.9479 6.9479 7.2817 7.2817 7.3132 7.3132 7.7461 7.7461 9.6186 9.6186 9.7564 9.7564 11.5586 11.5586 12.5939 12.5939 12.8108 12.8108 k = 0.5000 0.2887 0.0266 ( 4228 PWs) bands (ev): -31.9848 -31.9848 -31.9799 -31.9799 -13.2972 -13.2972 -13.2789 -13.2789 -12.9439 -12.9439 -12.9221 -12.9221 -12.8934 -12.8934 -12.8767 -12.8767 -1.6867 -1.6867 -1.6223 -1.6223 3.3714 3.3714 4.0701 4.0701 5.2670 5.2670 5.4164 5.4164 5.5201 5.5201 5.5338 5.5338 5.9413 5.9413 5.9498 5.9498 5.9779 5.9779 6.0589 6.0589 6.1626 6.1626 6.1834 6.1834 6.9454 6.9454 7.2810 7.2810 7.3073 7.3073 7.7371 7.7371 9.6147 9.6147 9.7680 9.7680 11.5765 11.5765 12.7190 12.7190 12.8033 12.8033 k = 0.5000 0.2887 0.0133 ( 4236 PWs) bands (ev): -31.9848 -31.9848 -31.9799 -31.9799 -13.2973 -13.2973 -13.2789 -13.2789 -12.9441 -12.9441 -12.9222 -12.9222 -12.8934 -12.8934 -12.8765 -12.8765 -1.6870 -1.6870 -1.6220 -1.6220 3.3693 3.3693 4.0758 4.0758 5.2653 5.2653 5.4174 5.4174 5.5200 5.5200 5.5338 5.5338 5.9417 5.9417 5.9489 5.9489 5.9774 5.9774 6.0594 6.0594 6.1619 6.1619 6.1826 6.1826 6.9439 6.9439 7.2793 7.2793 7.3050 7.3050 7.7316 7.7316 9.6123 9.6123 9.7752 9.7752 11.5874 11.5874 12.7983 12.7983 12.8382 12.8382 k = 0.5000 0.2887-0.0000 ( 4234 PWs) bands (ev): -31.9848 -31.9848 -31.9799 -31.9799 -13.2974 -13.2974 -13.2788 -13.2788 -12.9442 -12.9442 -12.9222 -12.9222 -12.8934 -12.8934 -12.8764 -12.8764 -1.6872 -1.6872 -1.6220 -1.6220 3.3687 3.3687 4.0778 4.0778 5.2647 5.2647 5.4178 5.4178 5.5200 5.5200 5.5339 5.5339 5.9418 5.9418 5.9486 5.9486 5.9772 5.9772 6.0596 6.0596 6.1617 6.1617 6.1824 6.1824 6.9434 6.9434 7.2785 7.2785 7.3045 7.3045 7.7297 7.7297 9.6115 9.6115 9.7776 9.7776 11.5911 11.5911 12.7970 12.7970 12.9374 12.9374 k = 0.3333 0.5774-0.0000 ( 4230 PWs) bands (ev): -31.9843 -31.9843 -31.9794 -31.9794 -13.2982 -13.2982 -13.2807 -13.2807 -12.9385 -12.9385 -12.9229 -12.9229 -12.9053 -12.9053 -12.8841 -12.8841 -1.5491 -1.5491 -1.5469 -1.5469 3.9486 3.9486 4.0242 4.0242 4.7288 4.7288 5.3553 5.3553 5.4151 5.4151 5.6864 5.6864 5.7909 5.7909 5.8126 5.8126 5.9353 5.9353 6.0016 6.0016 6.1255 6.1255 6.1530 6.1530 6.2535 6.2535 6.3891 6.3891 7.6103 7.6103 7.6478 7.6478 10.6955 10.6955 10.6969 10.6969 11.9269 11.9269 11.9778 11.9778 12.3197 12.3197 k = 0.3333 0.5774 0.0133 ( 4242 PWs) bands (ev): -31.9843 -31.9843 -31.9794 -31.9794 -13.2982 -13.2982 -13.2807 -13.2807 -12.9384 -12.9384 -12.9229 -12.9229 -12.9054 -12.9054 -12.8842 -12.8842 -1.5491 -1.5491 -1.5469 -1.5469 3.9484 3.9484 4.0240 4.0240 4.7300 4.7300 5.3550 5.3550 5.4147 5.4147 5.6854 5.6854 5.7839 5.7839 5.8188 5.8188 5.9352 5.9352 6.0017 6.0017 6.1256 6.1256 6.1533 6.1533 6.2534 6.2534 6.3890 6.3890 7.6123 7.6123 7.6498 7.6498 10.6885 10.6885 10.6898 10.6898 11.9335 11.9335 11.9842 11.9842 12.3210 12.3211 k = 0.3333 0.5774 0.0266 ( 4230 PWs) bands (ev): -31.9843 -31.9843 -31.9794 -31.9794 -13.2980 -13.2980 -13.2808 -13.2808 -12.9382 -12.9382 -12.9228 -12.9228 -12.9054 -12.9054 -12.8845 -12.8845 -1.5491 -1.5491 -1.5469 -1.5469 3.9479 3.9479 4.0235 4.0235 4.7336 4.7336 5.3543 5.3543 5.4138 5.4138 5.6822 5.6822 5.7714 5.7714 5.8294 5.8294 5.9350 5.9350 6.0020 6.0020 6.1258 6.1258 6.1543 6.1543 6.2533 6.2533 6.3890 6.3890 7.6183 7.6183 7.6558 7.6558 10.6681 10.6681 10.6692 10.6692 11.9528 11.9528 12.0030 12.0030 12.3252 12.3252 k = 0.3333 0.5774 0.0400 ( 4236 PWs) bands (ev): -31.9842 -31.9842 -31.9795 -31.9795 -13.2978 -13.2978 -13.2809 -13.2809 -12.9378 -12.9378 -12.9227 -12.9227 -12.9055 -12.9055 -12.8851 -12.8851 -1.5491 -1.5491 -1.5468 -1.5468 3.9472 3.9472 4.0226 4.0226 4.7397 4.7397 5.3530 5.3530 5.4122 5.4122 5.6761 5.6761 5.7584 5.7584 5.8401 5.8401 5.9346 5.9346 6.0024 6.0024 6.1263 6.1263 6.1559 6.1559 6.2529 6.2529 6.3888 6.3888 7.6283 7.6283 7.6655 7.6655 10.6355 10.6355 10.6362 10.6362 11.9833 11.9833 12.0329 12.0329 12.3320 12.3320 k = 0.3333 0.5774 0.0533 ( 4236 PWs) bands (ev): -31.9842 -31.9842 -31.9795 -31.9795 -13.2976 -13.2976 -13.2811 -13.2811 -12.9373 -12.9373 -12.9225 -12.9225 -12.9057 -12.9057 -12.8857 -12.8857 -1.5490 -1.5490 -1.5468 -1.5468 3.9461 3.9461 4.0214 4.0214 4.7482 4.7482 5.3514 5.3514 5.4102 5.4102 5.6661 5.6661 5.7467 5.7467 5.8501 5.8501 5.9342 5.9342 6.0029 6.0029 6.1269 6.1269 6.1581 6.1581 6.2525 6.2525 6.3887 6.3887 7.6420 7.6420 7.6791 7.6791 10.5927 10.5927 10.5931 10.5931 12.0235 12.0235 12.0722 12.0722 12.3416 12.3416 k = 0.3333 0.5774 0.0666 ( 4230 PWs) bands (ev): -31.9841 -31.9841 -31.9796 -31.9796 -13.2973 -13.2973 -13.2812 -13.2812 -12.9366 -12.9366 -12.9223 -12.9223 -12.9060 -12.9060 -12.8865 -12.8865 -1.5490 -1.5490 -1.5467 -1.5467 3.9448 3.9448 4.0199 4.0199 4.7590 4.7590 5.3493 5.3493 5.4076 5.4076 5.6516 5.6516 5.7374 5.7374 5.8593 5.8593 5.9336 5.9336 6.0034 6.0034 6.1276 6.1276 6.1607 6.1607 6.2520 6.2520 6.3885 6.3885 7.6593 7.6593 7.6962 7.6962 10.5416 10.5416 10.5418 10.5418 12.0712 12.0712 12.1192 12.1192 12.3539 12.3539 k = 0.3333 0.5774 0.0799 ( 4230 PWs) bands (ev): -31.9840 -31.9840 -31.9797 -31.9797 -13.2969 -13.2969 -13.2814 -13.2814 -12.9358 -12.9358 -12.9220 -12.9220 -12.9063 -12.9063 -12.8875 -12.8875 -1.5489 -1.5489 -1.5467 -1.5467 3.9432 3.9432 4.0181 4.0181 4.7721 4.7721 5.3469 5.3469 5.4047 5.4047 5.6325 5.6325 5.7306 5.7306 5.8677 5.8677 5.9330 5.9330 6.0040 6.0040 6.1284 6.1284 6.1637 6.1637 6.2514 6.2514 6.3883 6.3883 7.6798 7.6798 7.7166 7.7166 10.4843 10.4843 10.4843 10.4843 12.1248 12.1248 12.1719 12.1719 12.3688 12.3688 k = 0.3333 0.5774 0.0932 ( 4233 PWs) bands (ev): -31.9839 -31.9839 -31.9798 -31.9798 -13.2964 -13.2964 -13.2816 -13.2816 -12.9349 -12.9349 -12.9217 -12.9217 -12.9066 -12.9066 -12.8886 -12.8886 -1.5489 -1.5489 -1.5466 -1.5466 3.9415 3.9415 4.0161 4.0161 4.7876 4.7876 5.3443 5.3443 5.4014 5.4014 5.6094 5.6094 5.7259 5.7259 5.8754 5.8754 5.9324 5.9324 6.0045 6.0045 6.1293 6.1293 6.1671 6.1671 6.2506 6.2506 6.3881 6.3881 7.7034 7.7034 7.7399 7.7399 10.4224 10.4224 10.4226 10.4226 12.1827 12.1827 12.2290 12.2290 12.3862 12.3862 k = 0.3333 0.5774 0.1066 ( 4233 PWs) bands (ev): -31.9838 -31.9838 -31.9799 -31.9799 -13.2960 -13.2960 -13.2819 -13.2819 -12.9339 -12.9339 -12.9213 -12.9213 -12.9070 -12.9070 -12.8900 -12.8900 -1.5488 -1.5488 -1.5465 -1.5465 3.9396 3.9396 4.0140 4.0140 4.8052 4.8052 5.3415 5.3415 5.3979 5.3979 5.5832 5.5832 5.7225 5.7225 5.8823 5.8823 5.9317 5.9317 6.0050 6.0050 6.1302 6.1302 6.1706 6.1706 6.2497 6.2497 6.3878 6.3878 7.7295 7.7295 7.7659 7.7659 10.3578 10.3578 10.3582 10.3582 12.2435 12.2435 12.2892 12.2892 12.4063 12.4063 k = 0.3333 0.5774 0.1199 ( 4236 PWs) bands (ev): -31.9837 -31.9837 -31.9800 -31.9800 -13.2954 -13.2954 -13.2822 -13.2822 -12.9327 -12.9327 -12.9209 -12.9209 -12.9074 -12.9074 -12.8914 -12.8914 -1.5487 -1.5487 -1.5464 -1.5464 3.9377 3.9377 4.0118 4.0118 4.8249 4.8249 5.3386 5.3386 5.3943 5.3943 5.5546 5.5546 5.7201 5.7201 5.8886 5.8886 5.9310 5.9310 6.0054 6.0054 6.1311 6.1311 6.1743 6.1743 6.2487 6.2487 6.3876 6.3876 7.7578 7.7578 7.7941 7.7941 10.2917 10.2917 10.2925 10.2925 12.3064 12.3064 12.3513 12.3513 12.4288 12.4288 k = 0.3333 0.5774 0.1332 ( 4242 PWs) bands (ev): -31.9836 -31.9836 -31.9801 -31.9801 -13.2948 -13.2948 -13.2826 -13.2826 -12.9314 -12.9314 -12.9204 -12.9204 -12.9079 -12.9079 -12.8930 -12.8930 -1.5486 -1.5486 -1.5463 -1.5463 3.9356 3.9356 4.0095 4.0095 4.8466 4.8466 5.3356 5.3356 5.3905 5.3905 5.5239 5.5239 5.7182 5.7182 5.8942 5.8942 5.9303 5.9303 6.0056 6.0056 6.1321 6.1321 6.1781 6.1781 6.2476 6.2476 6.3873 6.3873 7.7876 7.7876 7.8239 7.8239 10.2255 10.2255 10.2269 10.2269 12.3705 12.3705 12.4143 12.4143 12.4541 12.4541 k = 0.3333 0.5774 0.1465 ( 4230 PWs) bands (ev): -31.9834 -31.9834 -31.9802 -31.9802 -13.2942 -13.2942 -13.2830 -13.2830 -12.9299 -12.9299 -12.9199 -12.9199 -12.9084 -12.9084 -12.8947 -12.8947 -1.5485 -1.5485 -1.5463 -1.5463 3.9336 3.9336 4.0072 4.0072 4.8703 4.8703 5.3328 5.3328 5.3867 5.3867 5.4918 5.4918 5.7169 5.7169 5.8994 5.8994 5.9297 5.9297 6.0059 6.0059 6.1330 6.1330 6.1819 6.1819 6.2465 6.2465 6.3871 6.3871 7.8184 7.8184 7.8548 7.8548 10.1605 10.1605 10.1626 10.1626 12.4352 12.4352 12.4724 12.4724 12.4871 12.4871 k = 0.3333 0.5774 0.1598 ( 4242 PWs) bands (ev): -31.9833 -31.9833 -31.9804 -31.9804 -13.2936 -13.2936 -13.2834 -13.2834 -12.9285 -12.9285 -12.9193 -12.9193 -12.9089 -12.9089 -12.8965 -12.8965 -1.5485 -1.5485 -1.5462 -1.5462 3.9317 3.9317 4.0050 4.0050 4.8958 4.8958 5.3299 5.3299 5.3826 5.3826 5.4587 5.4587 5.7158 5.7158 5.9039 5.9039 5.9290 5.9290 6.0060 6.0060 6.1339 6.1339 6.1855 6.1855 6.2452 6.2452 6.3869 6.3869 7.8495 7.8495 7.8860 7.8860 10.0978 10.0978 10.1007 10.1007 12.4999 12.4999 12.5068 12.5068 12.5461 12.5461 k = 0.3333 0.5774 0.1731 ( 4248 PWs) bands (ev): -31.9831 -31.9831 -31.9806 -31.9806 -13.2929 -13.2929 -13.2838 -13.2838 -12.9268 -12.9268 -12.9188 -12.9188 -12.9095 -12.9095 -12.8985 -12.8985 -1.5484 -1.5484 -1.5461 -1.5461 3.9298 3.9298 4.0029 4.0029 4.9230 4.9230 5.3273 5.3273 5.3777 5.3777 5.4256 5.4256 5.7149 5.7149 5.9079 5.9079 5.9284 5.9284 6.0061 6.0061 6.1346 6.1346 6.1890 6.1890 6.2439 6.2439 6.3866 6.3866 7.8801 7.8801 7.9168 7.9168 10.0386 10.0386 10.0422 10.0422 12.5380 12.5380 12.5642 12.5642 12.6097 12.6097 k = 0.3333 0.5774 0.1865 ( 4230 PWs) bands (ev): -31.9830 -31.9830 -31.9807 -31.9807 -13.2922 -13.2922 -13.2843 -13.2843 -12.9251 -12.9251 -12.9182 -12.9182 -12.9100 -12.9100 -12.9004 -12.9004 -1.5483 -1.5483 -1.5460 -1.5460 3.9281 3.9281 4.0009 4.0009 4.9518 4.9518 5.3250 5.3250 5.3683 5.3683 5.3967 5.3967 5.7143 5.7143 5.9115 5.9115 5.9278 5.9278 6.0062 6.0062 6.1354 6.1354 6.1924 6.1924 6.2426 6.2426 6.3865 6.3865 7.9094 7.9094 7.9464 7.9464 9.9839 9.9839 9.9885 9.9885 12.5705 12.5705 12.6275 12.6275 12.6730 12.6730 k = 0.3333 0.5774 0.1998 ( 4230 PWs) bands (ev): -31.9828 -31.9828 -31.9809 -31.9809 -13.2915 -13.2915 -13.2848 -13.2848 -12.9232 -12.9232 -12.9176 -12.9176 -12.9106 -12.9106 -12.9025 -12.9025 -1.5482 -1.5482 -1.5460 -1.5460 3.9266 3.9266 3.9992 3.9992 4.9818 4.9818 5.3229 5.3229 5.3437 5.3437 5.3828 5.3828 5.7137 5.7137 5.9145 5.9145 5.9273 5.9273 6.0061 6.0061 6.1361 6.1361 6.1954 6.1954 6.2413 6.2413 6.3863 6.3863 7.9364 7.9364 7.9737 7.9737 9.9350 9.9350 9.9405 9.9405 12.6043 12.6043 12.6893 12.6893 12.7353 12.7353 k = 0.3333 0.5774 0.2131 ( 4230 PWs) bands (ev): -31.9826 -31.9826 -31.9811 -31.9811 -13.2908 -13.2908 -13.2854 -13.2854 -12.9213 -12.9213 -12.9170 -12.9170 -12.9113 -12.9113 -12.9046 -12.9046 -1.5482 -1.5482 -1.5459 -1.5459 3.9253 3.9253 3.9977 3.9977 5.0129 5.0129 5.3103 5.3103 5.3211 5.3211 5.3779 5.3779 5.7133 5.7133 5.9170 5.9170 5.9267 5.9267 6.0061 6.0061 6.1366 6.1366 6.1982 6.1982 6.2400 6.2400 6.3861 6.3861 7.9602 7.9602 7.9979 7.9979 9.8930 9.8930 9.8993 9.8993 12.6392 12.6392 12.7488 12.7488 12.7959 12.7959 k = 0.3333 0.5774 0.2264 ( 4236 PWs) bands (ev): -31.9824 -31.9824 -31.9813 -31.9813 -13.2901 -13.2901 -13.2860 -13.2860 -12.9194 -12.9194 -12.9163 -12.9163 -12.9119 -12.9119 -12.9067 -12.9067 -1.5482 -1.5482 -1.5459 -1.5459 3.9242 3.9242 3.9965 3.9965 5.0445 5.0445 5.2756 5.2756 5.3197 5.3197 5.3753 5.3753 5.7129 5.7129 5.9191 5.9191 5.9262 5.9262 6.0060 6.0060 6.1370 6.1370 6.2004 6.2004 6.2389 6.2389 6.3860 6.3860 7.9798 7.9798 8.0179 8.0179 9.8590 9.8590 9.8659 9.8659 12.6747 12.6747 12.8044 12.8044 12.8531 12.8531 k = 0.3333 0.5774 0.2397 ( 4221 PWs) bands (ev): -31.9822 -31.9822 -31.9814 -31.9814 -13.2894 -13.2894 -13.2865 -13.2865 -12.9173 -12.9173 -12.9157 -12.9157 -12.9125 -12.9125 -12.9088 -12.9088 -1.5481 -1.5481 -1.5458 -1.5458 3.9235 3.9235 3.9956 3.9956 5.0758 5.0758 5.2419 5.2419 5.3187 5.3187 5.3738 5.3738 5.7127 5.7127 5.9207 5.9207 5.9257 5.9257 6.0060 6.0060 6.1374 6.1374 6.2022 6.2022 6.2380 6.2380 6.3859 6.3859 7.9946 7.9946 8.0330 8.0330 9.8339 9.8339 9.8414 9.8414 12.7106 12.7106 12.8463 12.8463 12.8532 12.8532 k = 0.3333 0.5774 0.2531 ( 4233 PWs) bands (ev): -31.9820 -31.9820 -31.9816 -31.9816 -13.2888 -13.2888 -13.2871 -13.2871 -12.9152 -12.9152 -12.9152 -12.9152 -12.9131 -12.9131 -12.9109 -12.9109 -1.5481 -1.5481 -1.5458 -1.5458 3.9230 3.9230 3.9951 3.9951 5.1036 5.1036 5.2126 5.2126 5.3181 5.3181 5.3728 5.3728 5.7126 5.7126 5.9218 5.9218 5.9252 5.9252 6.0059 6.0059 6.1376 6.1376 6.2032 6.2032 6.2374 6.2374 6.3858 6.3858 8.0037 8.0037 8.0423 8.0423 9.8185 9.8185 9.8263 9.8263 12.7461 12.7461 12.8154 12.8154 12.8894 12.8894 k = 0.3333 0.5774 0.2664 ( 4236 PWs) bands (ev): -31.9818 -31.9818 -31.9818 -31.9818 -13.2884 -13.2884 -13.2875 -13.2875 -12.9149 -12.9149 -12.9134 -12.9134 -12.9133 -12.9133 -12.9129 -12.9129 -1.5481 -1.5481 -1.5458 -1.5458 3.9228 3.9228 3.9949 3.9949 5.1173 5.1173 5.1984 5.1984 5.3179 5.3179 5.3725 5.3725 5.7125 5.7125 5.9222 5.9222 5.9250 5.9250 6.0059 6.0059 6.1377 6.1377 6.2036 6.2036 6.2372 6.2372 6.3858 6.3858 8.0068 8.0068 8.0455 8.0455 9.8133 9.8133 9.8212 9.8212 12.7760 12.7760 12.7871 12.7871 12.9035 12.9035 Writing output data file CaCuAs.save init_run : 0.27s CPU 0.38s WALL ( 1 calls) electrons : 357.06s CPU 362.11s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 357.05s CPU 362.10s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.08s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.07s WALL ( 311 calls) cegterg : 341.83s CPU 346.18s WALL ( 1081 calls) Called by sum_band: Called by *egterg: h_psi : 138.90s CPU 141.10s WALL ( 20171 calls) s_psi : 11.84s CPU 11.84s WALL ( 20171 calls) g_psi : 0.48s CPU 0.46s WALL ( 18779 calls) cdiaghg : 162.96s CPU 164.78s WALL ( 19090 calls) cegterg:over : 13.29s CPU 13.67s WALL ( 18779 calls) cegterg:upda : 13.98s CPU 14.31s WALL ( 18779 calls) cegterg:last : 5.44s CPU 5.32s WALL ( 2025 calls) cdiaghg:chol : 9.00s CPU 9.17s WALL ( 19090 calls) cdiaghg:inve : 6.32s CPU 6.43s WALL ( 19090 calls) cdiaghg:para : 9.76s CPU 10.15s WALL ( 38180 calls) Called by h_psi: h_psi:vloc : 111.91s CPU 113.98s WALL ( 20171 calls) h_psi:vnl : 26.44s CPU 26.62s WALL ( 20171 calls) add_vuspsi : 14.00s CPU 14.08s WALL ( 20171 calls) General routines calbec : 12.40s CPU 12.49s WALL ( 20171 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 103.11s CPU 105.53s WALL ( 1520864 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.12s CPU 0.24s WALL ( 622 calls) Parallel routines fft_scatter : 40.49s CPU 41.31s WALL ( 1520887 calls) PWSCF : 6m15.85s CPU 6m30.10s WALL This run was terminated on: 20:41: 1 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=