Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:38:13 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: ./CaCuP.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 30 20 5 1590 866 131 Max 31 21 6 1597 889 144 Sum 1111 745 211 57371 31575 5033 bravais-lattice index = 14 lattice parameter (alat) = 7.6628 a.u. unit-cell volume = 749.8432 (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)= 7.662839 celldm(2)= 1.000000 celldm(3)= 1.924291 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 1.924291 ) 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 0.519672 ) PseudoPot. # 1 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. # 2 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 PseudoPot. # 3 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 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 1147 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 Ca 10.00 40.07800 Ca( 1.00) Cu 11.00 63.54600 Cu( 1.00) P 5.00 30.97380 P( 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 ) ( 0.9621455 ) 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 ) ( 0.9621455 ) 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 ) ( 0.9621455 ) 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 ) ( 0.9621455 ) 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 ) ( 0.9621455 ) 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 ) ( 0.9621455 ) 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 ) ( 0.9621455 ) 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 ) ( 0.9621455 ) 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 ) ( 0.9621455 ) 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 ) ( 0.9621455 ) 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 ) ( 0.9621455 ) 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 ) ( 0.9621455 ) 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= 318 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031447 k( 2) = ( 0.0111111 0.0064150 -0.0000000), wk = 0.0031447 k( 3) = ( 0.0222222 0.0128300 -0.0000000), wk = 0.0031447 k( 4) = ( 0.0333333 0.0192450 -0.0000000), wk = 0.0031447 k( 5) = ( 0.0444444 0.0256600 -0.0000000), wk = 0.0031447 k( 6) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0031447 k( 7) = ( 0.0666667 0.0384900 -0.0000000), wk = 0.0031447 k( 8) = ( 0.0777778 0.0449050 -0.0000000), wk = 0.0031447 k( 9) = ( 0.0888889 0.0513200 -0.0000000), wk = 0.0031447 k( 10) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0031447 k( 11) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0031447 k( 12) = ( 0.1222222 0.0705650 -0.0000000), wk = 0.0031447 k( 13) = ( 0.1333333 0.0769800 -0.0000000), wk = 0.0031447 k( 14) = ( 0.1444444 0.0833950 -0.0000000), wk = 0.0031447 k( 15) = ( 0.1555556 0.0898100 -0.0000000), wk = 0.0031447 k( 16) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0031447 k( 17) = ( 0.1777778 0.1026400 -0.0000000), wk = 0.0031447 k( 18) = ( 0.1888889 0.1090551 -0.0000000), wk = 0.0031447 k( 19) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0031447 k( 20) = ( 0.2111111 0.1218851 -0.0000000), wk = 0.0031447 k( 21) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0031447 k( 22) = ( 0.2333333 0.1347151 -0.0000000), wk = 0.0031447 k( 23) = ( 0.2444444 0.1411301 -0.0000000), wk = 0.0031447 k( 24) = ( 0.2555556 0.1475451 -0.0000000), wk = 0.0031447 k( 25) = ( 0.2666667 0.1539601 -0.0000000), wk = 0.0031447 k( 26) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0031447 k( 27) = ( 0.2888889 0.1667901 -0.0000000), wk = 0.0031447 k( 28) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0031447 k( 29) = ( 0.3111111 0.1796201 -0.0000000), wk = 0.0031447 k( 30) = ( 0.3222222 0.1860351 -0.0000000), wk = 0.0031447 k( 31) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0031447 k( 32) = ( 0.3444444 0.1988651 -0.0000000), wk = 0.0031447 k( 33) = ( 0.3555556 0.2052801 -0.0000000), wk = 0.0031447 k( 34) = ( 0.3666667 0.2116951 -0.0000000), wk = 0.0031447 k( 35) = ( 0.3777778 0.2181101 -0.0000000), wk = 0.0031447 k( 36) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0031447 k( 37) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0031447 k( 38) = ( 0.4111111 0.2373551 -0.0000000), wk = 0.0031447 k( 39) = ( 0.4222222 0.2437701 -0.0000000), wk = 0.0031447 k( 40) = ( 0.4333333 0.2501851 -0.0000000), wk = 0.0031447 k( 41) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0031447 k( 42) = ( 0.4555556 0.2630151 -0.0000000), wk = 0.0031447 k( 43) = ( 0.4666667 0.2694301 -0.0000000), wk = 0.0031447 k( 44) = ( 0.4777778 0.2758451 -0.0000000), wk = 0.0031447 k( 45) = ( 0.4888889 0.2822601 -0.0000000), wk = 0.0031447 k( 46) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031447 k( 47) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031447 k( 48) = ( 0.4935897 0.2997780 -0.0000000), wk = 0.0031447 k( 49) = ( 0.4871795 0.3108809 -0.0000000), wk = 0.0031447 k( 50) = ( 0.4807692 0.3219838 -0.0000000), wk = 0.0031447 k( 51) = ( 0.4743590 0.3330867 -0.0000000), wk = 0.0031447 k( 52) = ( 0.4679487 0.3441896 -0.0000000), wk = 0.0031447 k( 53) = ( 0.4615385 0.3552925 -0.0000000), wk = 0.0031447 k( 54) = ( 0.4551282 0.3663954 -0.0000000), wk = 0.0031447 k( 55) = ( 0.4487179 0.3774983 -0.0000000), wk = 0.0031447 k( 56) = ( 0.4423077 0.3886011 -0.0000000), wk = 0.0031447 k( 57) = ( 0.4358974 0.3997040 -0.0000000), wk = 0.0031447 k( 58) = ( 0.4294872 0.4108069 -0.0000000), wk = 0.0031447 k( 59) = ( 0.4230769 0.4219098 -0.0000000), wk = 0.0031447 k( 60) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0031447 k( 61) = ( 0.4102564 0.4441156 -0.0000000), wk = 0.0031447 k( 62) = ( 0.4038462 0.4552185 -0.0000000), wk = 0.0031447 k( 63) = ( 0.3974359 0.4663214 -0.0000000), wk = 0.0031447 k( 64) = ( 0.3910256 0.4774243 -0.0000000), wk = 0.0031447 k( 65) = ( 0.3846154 0.4885271 -0.0000000), wk = 0.0031447 k( 66) = ( 0.3782051 0.4996300 -0.0000000), wk = 0.0031447 k( 67) = ( 0.3717949 0.5107329 -0.0000000), wk = 0.0031447 k( 68) = ( 0.3653846 0.5218358 -0.0000000), wk = 0.0031447 k( 69) = ( 0.3589744 0.5329387 -0.0000000), wk = 0.0031447 k( 70) = ( 0.3525641 0.5440416 -0.0000000), wk = 0.0031447 k( 71) = ( 0.3461538 0.5551445 -0.0000000), wk = 0.0031447 k( 72) = ( 0.3397436 0.5662474 -0.0000000), wk = 0.0031447 k( 73) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031447 k( 74) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031447 k( 75) = ( 0.3269231 0.5662474 -0.0000000), wk = 0.0031447 k( 76) = ( 0.3205128 0.5551445 -0.0000000), wk = 0.0031447 k( 77) = ( 0.3141026 0.5440416 -0.0000000), wk = 0.0031447 k( 78) = ( 0.3076923 0.5329387 -0.0000000), wk = 0.0031447 k( 79) = ( 0.3012821 0.5218358 -0.0000000), wk = 0.0031447 k( 80) = ( 0.2948718 0.5107329 -0.0000000), wk = 0.0031447 k( 81) = ( 0.2884615 0.4996300 -0.0000000), wk = 0.0031447 k( 82) = ( 0.2820513 0.4885271 -0.0000000), wk = 0.0031447 k( 83) = ( 0.2756410 0.4774243 -0.0000000), wk = 0.0031447 k( 84) = ( 0.2692308 0.4663214 -0.0000000), wk = 0.0031447 k( 85) = ( 0.2628205 0.4552185 -0.0000000), wk = 0.0031447 k( 86) = ( 0.2564103 0.4441156 -0.0000000), wk = 0.0031447 k( 87) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0031447 k( 88) = ( 0.2435897 0.4219098 -0.0000000), wk = 0.0031447 k( 89) = ( 0.2371795 0.4108069 -0.0000000), wk = 0.0031447 k( 90) = ( 0.2307692 0.3997040 -0.0000000), wk = 0.0031447 k( 91) = ( 0.2243590 0.3886011 -0.0000000), wk = 0.0031447 k( 92) = ( 0.2179487 0.3774983 -0.0000000), wk = 0.0031447 k( 93) = ( 0.2115385 0.3663954 -0.0000000), wk = 0.0031447 k( 94) = ( 0.2051282 0.3552925 -0.0000000), wk = 0.0031447 k( 95) = ( 0.1987180 0.3441896 -0.0000000), wk = 0.0031447 k( 96) = ( 0.1923077 0.3330867 -0.0000000), wk = 0.0031447 k( 97) = ( 0.1858974 0.3219838 -0.0000000), wk = 0.0031447 k( 98) = ( 0.1794872 0.3108809 -0.0000000), wk = 0.0031447 k( 99) = ( 0.1730769 0.2997780 -0.0000000), wk = 0.0031447 k( 100) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0031447 k( 101) = ( 0.1602564 0.2775722 -0.0000000), wk = 0.0031447 k( 102) = ( 0.1538461 0.2664693 -0.0000000), wk = 0.0031447 k( 103) = ( 0.1474359 0.2553665 -0.0000000), wk = 0.0031447 k( 104) = ( 0.1410256 0.2442636 -0.0000000), wk = 0.0031447 k( 105) = ( 0.1346154 0.2331607 -0.0000000), wk = 0.0031447 k( 106) = ( 0.1282051 0.2220578 -0.0000000), wk = 0.0031447 k( 107) = ( 0.1217949 0.2109549 -0.0000000), wk = 0.0031447 k( 108) = ( 0.1153846 0.1998520 -0.0000000), wk = 0.0031447 k( 109) = ( 0.1089744 0.1887491 -0.0000000), wk = 0.0031447 k( 110) = ( 0.1025641 0.1776462 -0.0000000), wk = 0.0031447 k( 111) = ( 0.0961538 0.1665434 -0.0000000), wk = 0.0031447 k( 112) = ( 0.0897436 0.1554405 -0.0000000), wk = 0.0031447 k( 113) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0031447 k( 114) = ( 0.0769231 0.1332347 -0.0000000), wk = 0.0031447 k( 115) = ( 0.0705128 0.1221318 -0.0000000), wk = 0.0031447 k( 116) = ( 0.0641026 0.1110289 -0.0000000), wk = 0.0031447 k( 117) = ( 0.0576923 0.0999260 -0.0000000), wk = 0.0031447 k( 118) = ( 0.0512821 0.0888231 -0.0000000), wk = 0.0031447 k( 119) = ( 0.0448718 0.0777202 -0.0000000), wk = 0.0031447 k( 120) = ( 0.0384615 0.0666173 -0.0000000), wk = 0.0031447 k( 121) = ( 0.0320513 0.0555144 -0.0000000), wk = 0.0031447 k( 122) = ( 0.0256410 0.0444116 -0.0000000), wk = 0.0031447 k( 123) = ( 0.0192308 0.0333087 -0.0000000), wk = 0.0031447 k( 124) = ( 0.0128205 0.0222058 -0.0000000), wk = 0.0031447 k( 125) = ( 0.0064103 0.0111029 -0.0000000), wk = 0.0031447 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031447 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031447 k( 128) = ( 0.0000000 0.0000000 0.0123731), wk = 0.0031447 k( 129) = ( 0.0000000 0.0000000 0.0247463), wk = 0.0031447 k( 130) = ( 0.0000000 0.0000000 0.0371194), wk = 0.0031447 k( 131) = ( 0.0000000 0.0000000 0.0494926), wk = 0.0031447 k( 132) = ( 0.0000000 0.0000000 0.0618657), wk = 0.0031447 k( 133) = ( 0.0000000 0.0000000 0.0742388), wk = 0.0031447 k( 134) = ( 0.0000000 0.0000000 0.0866120), wk = 0.0031447 k( 135) = ( 0.0000000 0.0000000 0.0989851), wk = 0.0031447 k( 136) = ( 0.0000000 0.0000000 0.1113583), wk = 0.0031447 k( 137) = ( 0.0000000 0.0000000 0.1237314), wk = 0.0031447 k( 138) = ( 0.0000000 0.0000000 0.1361045), wk = 0.0031447 k( 139) = ( 0.0000000 0.0000000 0.1484777), wk = 0.0031447 k( 140) = ( 0.0000000 0.0000000 0.1608508), wk = 0.0031447 k( 141) = ( 0.0000000 0.0000000 0.1732240), wk = 0.0031447 k( 142) = ( 0.0000000 0.0000000 0.1855971), wk = 0.0031447 k( 143) = ( 0.0000000 0.0000000 0.1979703), wk = 0.0031447 k( 144) = ( 0.0000000 0.0000000 0.2103434), wk = 0.0031447 k( 145) = ( 0.0000000 0.0000000 0.2227165), wk = 0.0031447 k( 146) = ( 0.0000000 0.0000000 0.2350897), wk = 0.0031447 k( 147) = ( 0.0000000 0.0000000 0.2474628), wk = 0.0031447 k( 148) = ( 0.0000000 0.0000000 0.2598360), wk = 0.0031447 k( 149) = ( 0.0000000 0.0000000 0.2598360), wk = 0.0031447 k( 150) = ( 0.0111111 0.0064150 0.2598360), wk = 0.0031447 k( 151) = ( 0.0222222 0.0128300 0.2598360), wk = 0.0031447 k( 152) = ( 0.0333333 0.0192450 0.2598360), wk = 0.0031447 k( 153) = ( 0.0444444 0.0256600 0.2598360), wk = 0.0031447 k( 154) = ( 0.0555556 0.0320750 0.2598360), wk = 0.0031447 k( 155) = ( 0.0666667 0.0384900 0.2598360), wk = 0.0031447 k( 156) = ( 0.0777778 0.0449050 0.2598360), wk = 0.0031447 k( 157) = ( 0.0888889 0.0513200 0.2598360), wk = 0.0031447 k( 158) = ( 0.1000000 0.0577350 0.2598360), wk = 0.0031447 k( 159) = ( 0.1111111 0.0641500 0.2598360), wk = 0.0031447 k( 160) = ( 0.1222222 0.0705650 0.2598360), wk = 0.0031447 k( 161) = ( 0.1333333 0.0769800 0.2598360), wk = 0.0031447 k( 162) = ( 0.1444444 0.0833950 0.2598360), wk = 0.0031447 k( 163) = ( 0.1555556 0.0898100 0.2598360), wk = 0.0031447 k( 164) = ( 0.1666667 0.0962250 0.2598360), wk = 0.0031447 k( 165) = ( 0.1777778 0.1026400 0.2598360), wk = 0.0031447 k( 166) = ( 0.1888889 0.1090551 0.2598360), wk = 0.0031447 k( 167) = ( 0.2000000 0.1154701 0.2598360), wk = 0.0031447 k( 168) = ( 0.2111111 0.1218851 0.2598360), wk = 0.0031447 k( 169) = ( 0.2222222 0.1283001 0.2598360), wk = 0.0031447 k( 170) = ( 0.2333333 0.1347151 0.2598360), wk = 0.0031447 k( 171) = ( 0.2444444 0.1411301 0.2598360), wk = 0.0031447 k( 172) = ( 0.2555556 0.1475451 0.2598360), wk = 0.0031447 k( 173) = ( 0.2666667 0.1539601 0.2598360), wk = 0.0031447 k( 174) = ( 0.2777778 0.1603751 0.2598360), wk = 0.0031447 k( 175) = ( 0.2888889 0.1667901 0.2598360), wk = 0.0031447 k( 176) = ( 0.3000000 0.1732051 0.2598360), wk = 0.0031447 k( 177) = ( 0.3111111 0.1796201 0.2598360), wk = 0.0031447 k( 178) = ( 0.3222222 0.1860351 0.2598360), wk = 0.0031447 k( 179) = ( 0.3333333 0.1924501 0.2598360), wk = 0.0031447 k( 180) = ( 0.3444444 0.1988651 0.2598360), wk = 0.0031447 k( 181) = ( 0.3555556 0.2052801 0.2598360), wk = 0.0031447 k( 182) = ( 0.3666667 0.2116951 0.2598360), wk = 0.0031447 k( 183) = ( 0.3777778 0.2181101 0.2598360), wk = 0.0031447 k( 184) = ( 0.3888889 0.2245251 0.2598360), wk = 0.0031447 k( 185) = ( 0.4000000 0.2309401 0.2598360), wk = 0.0031447 k( 186) = ( 0.4111111 0.2373551 0.2598360), wk = 0.0031447 k( 187) = ( 0.4222222 0.2437701 0.2598360), wk = 0.0031447 k( 188) = ( 0.4333333 0.2501851 0.2598360), wk = 0.0031447 k( 189) = ( 0.4444444 0.2566001 0.2598360), wk = 0.0031447 k( 190) = ( 0.4555556 0.2630151 0.2598360), wk = 0.0031447 k( 191) = ( 0.4666667 0.2694301 0.2598360), wk = 0.0031447 k( 192) = ( 0.4777778 0.2758451 0.2598360), wk = 0.0031447 k( 193) = ( 0.4888889 0.2822601 0.2598360), wk = 0.0031447 k( 194) = ( 0.5000000 0.2886751 0.2598360), wk = 0.0031447 k( 195) = ( 0.5000000 0.2886751 0.2598360), wk = 0.0031447 k( 196) = ( 0.4935897 0.2997780 0.2598360), wk = 0.0031447 k( 197) = ( 0.4871795 0.3108809 0.2598360), wk = 0.0031447 k( 198) = ( 0.4807692 0.3219838 0.2598360), wk = 0.0031447 k( 199) = ( 0.4743590 0.3330867 0.2598360), wk = 0.0031447 k( 200) = ( 0.4679487 0.3441896 0.2598360), wk = 0.0031447 k( 201) = ( 0.4615385 0.3552925 0.2598360), wk = 0.0031447 k( 202) = ( 0.4551282 0.3663954 0.2598360), wk = 0.0031447 k( 203) = ( 0.4487179 0.3774983 0.2598360), wk = 0.0031447 k( 204) = ( 0.4423077 0.3886011 0.2598360), wk = 0.0031447 k( 205) = ( 0.4358974 0.3997040 0.2598360), wk = 0.0031447 k( 206) = ( 0.4294872 0.4108069 0.2598360), wk = 0.0031447 k( 207) = ( 0.4230769 0.4219098 0.2598360), wk = 0.0031447 k( 208) = ( 0.4166667 0.4330127 0.2598360), wk = 0.0031447 k( 209) = ( 0.4102564 0.4441156 0.2598360), wk = 0.0031447 k( 210) = ( 0.4038462 0.4552185 0.2598360), wk = 0.0031447 k( 211) = ( 0.3974359 0.4663214 0.2598360), wk = 0.0031447 k( 212) = ( 0.3910256 0.4774243 0.2598360), wk = 0.0031447 k( 213) = ( 0.3846154 0.4885271 0.2598360), wk = 0.0031447 k( 214) = ( 0.3782051 0.4996300 0.2598360), wk = 0.0031447 k( 215) = ( 0.3717949 0.5107329 0.2598360), wk = 0.0031447 k( 216) = ( 0.3653846 0.5218358 0.2598360), wk = 0.0031447 k( 217) = ( 0.3589744 0.5329387 0.2598360), wk = 0.0031447 k( 218) = ( 0.3525641 0.5440416 0.2598360), wk = 0.0031447 k( 219) = ( 0.3461538 0.5551445 0.2598360), wk = 0.0031447 k( 220) = ( 0.3397436 0.5662474 0.2598360), wk = 0.0031447 k( 221) = ( 0.3333333 0.5773503 0.2598360), wk = 0.0031447 k( 222) = ( 0.3333333 0.5773503 0.2598360), wk = 0.0031447 k( 223) = ( 0.3269231 0.5662474 0.2598360), wk = 0.0031447 k( 224) = ( 0.3205128 0.5551445 0.2598360), wk = 0.0031447 k( 225) = ( 0.3141026 0.5440416 0.2598360), wk = 0.0031447 k( 226) = ( 0.3076923 0.5329387 0.2598360), wk = 0.0031447 k( 227) = ( 0.3012821 0.5218358 0.2598360), wk = 0.0031447 k( 228) = ( 0.2948718 0.5107329 0.2598360), wk = 0.0031447 k( 229) = ( 0.2884615 0.4996300 0.2598360), wk = 0.0031447 k( 230) = ( 0.2820513 0.4885271 0.2598360), wk = 0.0031447 k( 231) = ( 0.2756410 0.4774243 0.2598360), wk = 0.0031447 k( 232) = ( 0.2692308 0.4663214 0.2598360), wk = 0.0031447 k( 233) = ( 0.2628205 0.4552185 0.2598360), wk = 0.0031447 k( 234) = ( 0.2564103 0.4441156 0.2598360), wk = 0.0031447 k( 235) = ( 0.2500000 0.4330127 0.2598360), wk = 0.0031447 k( 236) = ( 0.2435897 0.4219098 0.2598360), wk = 0.0031447 k( 237) = ( 0.2371795 0.4108069 0.2598360), wk = 0.0031447 k( 238) = ( 0.2307692 0.3997040 0.2598360), wk = 0.0031447 k( 239) = ( 0.2243590 0.3886011 0.2598360), wk = 0.0031447 k( 240) = ( 0.2179487 0.3774983 0.2598360), wk = 0.0031447 k( 241) = ( 0.2115385 0.3663954 0.2598360), wk = 0.0031447 k( 242) = ( 0.2051282 0.3552925 0.2598360), wk = 0.0031447 k( 243) = ( 0.1987180 0.3441896 0.2598360), wk = 0.0031447 k( 244) = ( 0.1923077 0.3330867 0.2598360), wk = 0.0031447 k( 245) = ( 0.1858974 0.3219838 0.2598360), wk = 0.0031447 k( 246) = ( 0.1794872 0.3108809 0.2598360), wk = 0.0031447 k( 247) = ( 0.1730769 0.2997780 0.2598360), wk = 0.0031447 k( 248) = ( 0.1666667 0.2886751 0.2598360), wk = 0.0031447 k( 249) = ( 0.1602564 0.2775722 0.2598360), wk = 0.0031447 k( 250) = ( 0.1538461 0.2664693 0.2598360), wk = 0.0031447 k( 251) = ( 0.1474359 0.2553665 0.2598360), wk = 0.0031447 k( 252) = ( 0.1410256 0.2442636 0.2598360), wk = 0.0031447 k( 253) = ( 0.1346154 0.2331607 0.2598360), wk = 0.0031447 k( 254) = ( 0.1282051 0.2220578 0.2598360), wk = 0.0031447 k( 255) = ( 0.1217949 0.2109549 0.2598360), wk = 0.0031447 k( 256) = ( 0.1153846 0.1998520 0.2598360), wk = 0.0031447 k( 257) = ( 0.1089744 0.1887491 0.2598360), wk = 0.0031447 k( 258) = ( 0.1025641 0.1776462 0.2598360), wk = 0.0031447 k( 259) = ( 0.0961538 0.1665434 0.2598360), wk = 0.0031447 k( 260) = ( 0.0897436 0.1554405 0.2598360), wk = 0.0031447 k( 261) = ( 0.0833333 0.1443376 0.2598360), wk = 0.0031447 k( 262) = ( 0.0769231 0.1332347 0.2598360), wk = 0.0031447 k( 263) = ( 0.0705128 0.1221318 0.2598360), wk = 0.0031447 k( 264) = ( 0.0641026 0.1110289 0.2598360), wk = 0.0031447 k( 265) = ( 0.0576923 0.0999260 0.2598360), wk = 0.0031447 k( 266) = ( 0.0512821 0.0888231 0.2598360), wk = 0.0031447 k( 267) = ( 0.0448718 0.0777202 0.2598360), wk = 0.0031447 k( 268) = ( 0.0384615 0.0666173 0.2598360), wk = 0.0031447 k( 269) = ( 0.0320513 0.0555144 0.2598360), wk = 0.0031447 k( 270) = ( 0.0256410 0.0444116 0.2598360), wk = 0.0031447 k( 271) = ( 0.0192308 0.0333087 0.2598360), wk = 0.0031447 k( 272) = ( 0.0128205 0.0222058 0.2598360), wk = 0.0031447 k( 273) = ( 0.0064103 0.0111029 0.2598360), wk = 0.0031447 k( 274) = ( 0.0000000 0.0000000 0.2598360), wk = 0.0031447 k( 275) = ( 0.5000000 0.2886751 0.2598360), wk = 0.0031447 k( 276) = ( 0.5000000 0.2886751 0.2474628), wk = 0.0031447 k( 277) = ( 0.5000000 0.2886751 0.2350897), wk = 0.0031447 k( 278) = ( 0.5000000 0.2886751 0.2227165), wk = 0.0031447 k( 279) = ( 0.5000000 0.2886751 0.2103434), wk = 0.0031447 k( 280) = ( 0.5000000 0.2886751 0.1979703), wk = 0.0031447 k( 281) = ( 0.5000000 0.2886751 0.1855971), wk = 0.0031447 k( 282) = ( 0.5000000 0.2886751 0.1732240), wk = 0.0031447 k( 283) = ( 0.5000000 0.2886751 0.1608508), wk = 0.0031447 k( 284) = ( 0.5000000 0.2886751 0.1484777), wk = 0.0031447 k( 285) = ( 0.5000000 0.2886751 0.1361045), wk = 0.0031447 k( 286) = ( 0.5000000 0.2886751 0.1237314), wk = 0.0031447 k( 287) = ( 0.5000000 0.2886751 0.1113583), wk = 0.0031447 k( 288) = ( 0.5000000 0.2886751 0.0989851), wk = 0.0031447 k( 289) = ( 0.5000000 0.2886751 0.0866120), wk = 0.0031447 k( 290) = ( 0.5000000 0.2886751 0.0742388), wk = 0.0031447 k( 291) = ( 0.5000000 0.2886751 0.0618657), wk = 0.0031447 k( 292) = ( 0.5000000 0.2886751 0.0494926), wk = 0.0031447 k( 293) = ( 0.5000000 0.2886751 0.0371194), wk = 0.0031447 k( 294) = ( 0.5000000 0.2886751 0.0247463), wk = 0.0031447 k( 295) = ( 0.5000000 0.2886751 0.0123731), wk = 0.0031447 k( 296) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0031447 k( 297) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0031447 k( 298) = ( 0.3333333 0.5773503 0.0123731), wk = 0.0031447 k( 299) = ( 0.3333333 0.5773503 0.0247463), wk = 0.0031447 k( 300) = ( 0.3333333 0.5773503 0.0371194), wk = 0.0031447 k( 301) = ( 0.3333333 0.5773503 0.0494926), wk = 0.0031447 k( 302) = ( 0.3333333 0.5773503 0.0618657), wk = 0.0031447 k( 303) = ( 0.3333333 0.5773503 0.0742388), wk = 0.0031447 k( 304) = ( 0.3333333 0.5773503 0.0866120), wk = 0.0031447 k( 305) = ( 0.3333333 0.5773503 0.0989851), wk = 0.0031447 k( 306) = ( 0.3333333 0.5773503 0.1113583), wk = 0.0031447 k( 307) = ( 0.3333333 0.5773503 0.1237314), wk = 0.0031447 k( 308) = ( 0.3333333 0.5773503 0.1361045), wk = 0.0031447 k( 309) = ( 0.3333333 0.5773503 0.1484777), wk = 0.0031447 k( 310) = ( 0.3333333 0.5773503 0.1608508), wk = 0.0031447 k( 311) = ( 0.3333333 0.5773503 0.1732240), wk = 0.0031447 k( 312) = ( 0.3333333 0.5773503 0.1855971), wk = 0.0031447 k( 313) = ( 0.3333333 0.5773503 0.1979703), wk = 0.0031447 k( 314) = ( 0.3333333 0.5773503 0.2103434), wk = 0.0031447 k( 315) = ( 0.3333333 0.5773503 0.2227165), wk = 0.0031447 k( 316) = ( 0.3333333 0.5773503 0.2350897), wk = 0.0031447 k( 317) = ( 0.3333333 0.5773503 0.2474628), wk = 0.0031447 k( 318) = ( 0.3333333 0.5773503 0.2598360), wk = 0.0031447 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031447 k( 2) = ( 0.0111111 -0.0000000 -0.0000000), wk = 0.0031447 k( 3) = ( 0.0222222 -0.0000000 -0.0000000), wk = 0.0031447 k( 4) = ( 0.0333333 0.0000000 -0.0000000), wk = 0.0031447 k( 5) = ( 0.0444444 -0.0000000 -0.0000000), wk = 0.0031447 k( 6) = ( 0.0555556 -0.0000000 -0.0000000), wk = 0.0031447 k( 7) = ( 0.0666667 0.0000000 -0.0000000), wk = 0.0031447 k( 8) = ( 0.0777778 0.0000000 0.0000000), wk = 0.0031447 k( 9) = ( 0.0888889 -0.0000000 -0.0000000), wk = 0.0031447 k( 10) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0031447 k( 11) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0031447 k( 12) = ( 0.1222222 -0.0000000 -0.0000000), wk = 0.0031447 k( 13) = ( 0.1333333 0.0000000 0.0000000), wk = 0.0031447 k( 14) = ( 0.1444444 0.0000000 0.0000000), wk = 0.0031447 k( 15) = ( 0.1555556 0.0000000 0.0000000), wk = 0.0031447 k( 16) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0031447 k( 17) = ( 0.1777778 -0.0000000 -0.0000000), wk = 0.0031447 k( 18) = ( 0.1888889 0.0000000 0.0000000), wk = 0.0031447 k( 19) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0031447 k( 20) = ( 0.2111111 0.0000000 -0.0000000), wk = 0.0031447 k( 21) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0031447 k( 22) = ( 0.2333333 -0.0000000 -0.0000000), wk = 0.0031447 k( 23) = ( 0.2444444 -0.0000000 -0.0000000), wk = 0.0031447 k( 24) = ( 0.2555556 0.0000000 -0.0000000), wk = 0.0031447 k( 25) = ( 0.2666667 0.0000000 -0.0000000), wk = 0.0031447 k( 26) = ( 0.2777778 0.0000000 -0.0000000), wk = 0.0031447 k( 27) = ( 0.2888889 -0.0000000 0.0000000), wk = 0.0031447 k( 28) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0031447 k( 29) = ( 0.3111111 -0.0000000 0.0000000), wk = 0.0031447 k( 30) = ( 0.3222222 0.0000000 0.0000000), wk = 0.0031447 k( 31) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0031447 k( 32) = ( 0.3444444 -0.0000000 0.0000000), wk = 0.0031447 k( 33) = ( 0.3555556 -0.0000000 -0.0000000), wk = 0.0031447 k( 34) = ( 0.3666667 -0.0000000 0.0000000), wk = 0.0031447 k( 35) = ( 0.3777778 0.0000000 0.0000000), wk = 0.0031447 k( 36) = ( 0.3888889 0.0000000 -0.0000000), wk = 0.0031447 k( 37) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0031447 k( 38) = ( 0.4111111 0.0000000 -0.0000000), wk = 0.0031447 k( 39) = ( 0.4222222 0.0000000 -0.0000000), wk = 0.0031447 k( 40) = ( 0.4333333 0.0000000 0.0000000), wk = 0.0031447 k( 41) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0031447 k( 42) = ( 0.4555556 0.0000000 0.0000000), wk = 0.0031447 k( 43) = ( 0.4666667 -0.0000000 -0.0000000), wk = 0.0031447 k( 44) = ( 0.4777778 -0.0000000 -0.0000000), wk = 0.0031447 k( 45) = ( 0.4888889 -0.0000000 -0.0000000), wk = 0.0031447 k( 46) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0031447 k( 47) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0031447 k( 48) = ( 0.4935897 0.0128205 -0.0000000), wk = 0.0031447 k( 49) = ( 0.4871795 0.0256410 0.0000000), wk = 0.0031447 k( 50) = ( 0.4807692 0.0384615 0.0000000), wk = 0.0031447 k( 51) = ( 0.4743590 0.0512820 -0.0000000), wk = 0.0031447 k( 52) = ( 0.4679487 0.0641026 0.0000000), wk = 0.0031447 k( 53) = ( 0.4615385 0.0769231 0.0000000), wk = 0.0031447 k( 54) = ( 0.4551282 0.0897436 -0.0000000), wk = 0.0031447 k( 55) = ( 0.4487179 0.1025641 0.0000000), wk = 0.0031447 k( 56) = ( 0.4423077 0.1153846 -0.0000000), wk = 0.0031447 k( 57) = ( 0.4358974 0.1282051 -0.0000000), wk = 0.0031447 k( 58) = ( 0.4294872 0.1410256 -0.0000000), wk = 0.0031447 k( 59) = ( 0.4230769 0.1538461 0.0000000), wk = 0.0031447 k( 60) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0031447 k( 61) = ( 0.4102564 0.1794872 0.0000000), wk = 0.0031447 k( 62) = ( 0.4038462 0.1923077 0.0000000), wk = 0.0031447 k( 63) = ( 0.3974359 0.2051282 -0.0000000), wk = 0.0031447 k( 64) = ( 0.3910256 0.2179487 -0.0000000), wk = 0.0031447 k( 65) = ( 0.3846154 0.2307692 -0.0000000), wk = 0.0031447 k( 66) = ( 0.3782051 0.2435897 0.0000000), wk = 0.0031447 k( 67) = ( 0.3717949 0.2564103 -0.0000000), wk = 0.0031447 k( 68) = ( 0.3653846 0.2692308 -0.0000000), wk = 0.0031447 k( 69) = ( 0.3589744 0.2820513 -0.0000000), wk = 0.0031447 k( 70) = ( 0.3525641 0.2948718 0.0000000), wk = 0.0031447 k( 71) = ( 0.3461538 0.3076923 0.0000000), wk = 0.0031447 k( 72) = ( 0.3397436 0.3205128 0.0000000), wk = 0.0031447 k( 73) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0031447 k( 74) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0031447 k( 75) = ( 0.3269231 0.3269231 -0.0000000), wk = 0.0031447 k( 76) = ( 0.3205128 0.3205128 0.0000000), wk = 0.0031447 k( 77) = ( 0.3141026 0.3141026 0.0000000), wk = 0.0031447 k( 78) = ( 0.3076923 0.3076923 0.0000000), wk = 0.0031447 k( 79) = ( 0.3012821 0.3012821 0.0000000), wk = 0.0031447 k( 80) = ( 0.2948718 0.2948718 0.0000000), wk = 0.0031447 k( 81) = ( 0.2884615 0.2884615 0.0000000), wk = 0.0031447 k( 82) = ( 0.2820513 0.2820513 0.0000000), wk = 0.0031447 k( 83) = ( 0.2756410 0.2756410 -0.0000000), wk = 0.0031447 k( 84) = ( 0.2692308 0.2692308 0.0000000), wk = 0.0031447 k( 85) = ( 0.2628205 0.2628205 0.0000000), wk = 0.0031447 k( 86) = ( 0.2564103 0.2564103 -0.0000000), wk = 0.0031447 k( 87) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0031447 k( 88) = ( 0.2435897 0.2435897 0.0000000), wk = 0.0031447 k( 89) = ( 0.2371795 0.2371795 0.0000000), wk = 0.0031447 k( 90) = ( 0.2307692 0.2307692 -0.0000000), wk = 0.0031447 k( 91) = ( 0.2243590 0.2243590 -0.0000000), wk = 0.0031447 k( 92) = ( 0.2179487 0.2179487 0.0000000), wk = 0.0031447 k( 93) = ( 0.2115385 0.2115385 -0.0000000), wk = 0.0031447 k( 94) = ( 0.2051282 0.2051282 -0.0000000), wk = 0.0031447 k( 95) = ( 0.1987180 0.1987180 0.0000000), wk = 0.0031447 k( 96) = ( 0.1923077 0.1923077 0.0000000), wk = 0.0031447 k( 97) = ( 0.1858974 0.1858974 0.0000000), wk = 0.0031447 k( 98) = ( 0.1794872 0.1794872 0.0000000), wk = 0.0031447 k( 99) = ( 0.1730769 0.1730769 0.0000000), wk = 0.0031447 k( 100) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0031447 k( 101) = ( 0.1602564 0.1602564 0.0000000), wk = 0.0031447 k( 102) = ( 0.1538461 0.1538461 -0.0000000), wk = 0.0031447 k( 103) = ( 0.1474359 0.1474359 -0.0000000), wk = 0.0031447 k( 104) = ( 0.1410256 0.1410256 0.0000000), wk = 0.0031447 k( 105) = ( 0.1346154 0.1346154 0.0000000), wk = 0.0031447 k( 106) = ( 0.1282051 0.1282051 -0.0000000), wk = 0.0031447 k( 107) = ( 0.1217949 0.1217949 0.0000000), wk = 0.0031447 k( 108) = ( 0.1153846 0.1153846 -0.0000000), wk = 0.0031447 k( 109) = ( 0.1089744 0.1089744 0.0000000), wk = 0.0031447 k( 110) = ( 0.1025641 0.1025641 0.0000000), wk = 0.0031447 k( 111) = ( 0.0961538 0.0961538 -0.0000000), wk = 0.0031447 k( 112) = ( 0.0897436 0.0897436 0.0000000), wk = 0.0031447 k( 113) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0031447 k( 114) = ( 0.0769231 0.0769231 0.0000000), wk = 0.0031447 k( 115) = ( 0.0705128 0.0705128 0.0000000), wk = 0.0031447 k( 116) = ( 0.0641026 0.0641026 -0.0000000), wk = 0.0031447 k( 117) = ( 0.0576923 0.0576923 -0.0000000), wk = 0.0031447 k( 118) = ( 0.0512821 0.0512821 0.0000000), wk = 0.0031447 k( 119) = ( 0.0448718 0.0448718 -0.0000000), wk = 0.0031447 k( 120) = ( 0.0384615 0.0384615 0.0000000), wk = 0.0031447 k( 121) = ( 0.0320513 0.0320513 -0.0000000), wk = 0.0031447 k( 122) = ( 0.0256410 0.0256410 0.0000000), wk = 0.0031447 k( 123) = ( 0.0192308 0.0192308 0.0000000), wk = 0.0031447 k( 124) = ( 0.0128205 0.0128205 -0.0000000), wk = 0.0031447 k( 125) = ( 0.0064103 0.0064103 -0.0000000), wk = 0.0031447 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031447 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031447 k( 128) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0031447 k( 129) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0031447 k( 130) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0031447 k( 131) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0031447 k( 132) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0031447 k( 133) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0031447 k( 134) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0031447 k( 135) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0031447 k( 136) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0031447 k( 137) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0031447 k( 138) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0031447 k( 139) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0031447 k( 140) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0031447 k( 141) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0031447 k( 142) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0031447 k( 143) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0031447 k( 144) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0031447 k( 145) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0031447 k( 146) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0031447 k( 147) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0031447 k( 148) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031447 k( 149) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031447 k( 150) = ( 0.0111111 -0.0000000 0.5000000), wk = 0.0031447 k( 151) = ( 0.0222222 -0.0000000 0.5000000), wk = 0.0031447 k( 152) = ( 0.0333333 0.0000000 0.5000000), wk = 0.0031447 k( 153) = ( 0.0444444 -0.0000000 0.5000000), wk = 0.0031447 k( 154) = ( 0.0555556 -0.0000000 0.5000000), wk = 0.0031447 k( 155) = ( 0.0666667 0.0000000 0.5000000), wk = 0.0031447 k( 156) = ( 0.0777778 0.0000000 0.5000000), wk = 0.0031447 k( 157) = ( 0.0888889 -0.0000000 0.5000000), wk = 0.0031447 k( 158) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0031447 k( 159) = ( 0.1111111 -0.0000000 0.5000000), wk = 0.0031447 k( 160) = ( 0.1222222 -0.0000000 0.5000000), wk = 0.0031447 k( 161) = ( 0.1333333 0.0000000 0.5000000), wk = 0.0031447 k( 162) = ( 0.1444444 0.0000000 0.5000000), wk = 0.0031447 k( 163) = ( 0.1555556 0.0000000 0.5000000), wk = 0.0031447 k( 164) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0031447 k( 165) = ( 0.1777778 -0.0000000 0.5000000), wk = 0.0031447 k( 166) = ( 0.1888889 0.0000000 0.5000000), wk = 0.0031447 k( 167) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0031447 k( 168) = ( 0.2111111 0.0000000 0.5000000), wk = 0.0031447 k( 169) = ( 0.2222222 -0.0000000 0.5000000), wk = 0.0031447 k( 170) = ( 0.2333333 -0.0000000 0.5000000), wk = 0.0031447 k( 171) = ( 0.2444444 -0.0000000 0.5000000), wk = 0.0031447 k( 172) = ( 0.2555556 0.0000000 0.5000000), wk = 0.0031447 k( 173) = ( 0.2666667 0.0000000 0.5000000), wk = 0.0031447 k( 174) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0031447 k( 175) = ( 0.2888889 -0.0000000 0.5000000), wk = 0.0031447 k( 176) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0031447 k( 177) = ( 0.3111111 -0.0000000 0.5000000), wk = 0.0031447 k( 178) = ( 0.3222222 0.0000000 0.5000000), wk = 0.0031447 k( 179) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0031447 k( 180) = ( 0.3444444 -0.0000000 0.5000000), wk = 0.0031447 k( 181) = ( 0.3555556 -0.0000000 0.5000000), wk = 0.0031447 k( 182) = ( 0.3666667 -0.0000000 0.5000000), wk = 0.0031447 k( 183) = ( 0.3777778 0.0000000 0.5000000), wk = 0.0031447 k( 184) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0031447 k( 185) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0031447 k( 186) = ( 0.4111111 0.0000000 0.5000000), wk = 0.0031447 k( 187) = ( 0.4222222 0.0000000 0.5000000), wk = 0.0031447 k( 188) = ( 0.4333333 0.0000000 0.5000000), wk = 0.0031447 k( 189) = ( 0.4444444 -0.0000000 0.5000000), wk = 0.0031447 k( 190) = ( 0.4555556 0.0000000 0.5000000), wk = 0.0031447 k( 191) = ( 0.4666667 -0.0000000 0.5000000), wk = 0.0031447 k( 192) = ( 0.4777778 -0.0000000 0.5000000), wk = 0.0031447 k( 193) = ( 0.4888889 -0.0000000 0.5000000), wk = 0.0031447 k( 194) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031447 k( 195) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031447 k( 196) = ( 0.4935897 0.0128205 0.5000000), wk = 0.0031447 k( 197) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0031447 k( 198) = ( 0.4807692 0.0384615 0.5000000), wk = 0.0031447 k( 199) = ( 0.4743590 0.0512820 0.5000000), wk = 0.0031447 k( 200) = ( 0.4679487 0.0641026 0.5000000), wk = 0.0031447 k( 201) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0031447 k( 202) = ( 0.4551282 0.0897436 0.5000000), wk = 0.0031447 k( 203) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0031447 k( 204) = ( 0.4423077 0.1153846 0.5000000), wk = 0.0031447 k( 205) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0031447 k( 206) = ( 0.4294872 0.1410256 0.5000000), wk = 0.0031447 k( 207) = ( 0.4230769 0.1538461 0.5000000), wk = 0.0031447 k( 208) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0031447 k( 209) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0031447 k( 210) = ( 0.4038462 0.1923077 0.5000000), wk = 0.0031447 k( 211) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0031447 k( 212) = ( 0.3910256 0.2179487 0.5000000), wk = 0.0031447 k( 213) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0031447 k( 214) = ( 0.3782051 0.2435897 0.5000000), wk = 0.0031447 k( 215) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0031447 k( 216) = ( 0.3653846 0.2692308 0.5000000), wk = 0.0031447 k( 217) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0031447 k( 218) = ( 0.3525641 0.2948718 0.5000000), wk = 0.0031447 k( 219) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0031447 k( 220) = ( 0.3397436 0.3205128 0.5000000), wk = 0.0031447 k( 221) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031447 k( 222) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031447 k( 223) = ( 0.3269231 0.3269231 0.5000000), wk = 0.0031447 k( 224) = ( 0.3205128 0.3205128 0.5000000), wk = 0.0031447 k( 225) = ( 0.3141026 0.3141026 0.5000000), wk = 0.0031447 k( 226) = ( 0.3076923 0.3076923 0.5000000), wk = 0.0031447 k( 227) = ( 0.3012821 0.3012821 0.5000000), wk = 0.0031447 k( 228) = ( 0.2948718 0.2948718 0.5000000), wk = 0.0031447 k( 229) = ( 0.2884615 0.2884615 0.5000000), wk = 0.0031447 k( 230) = ( 0.2820513 0.2820513 0.5000000), wk = 0.0031447 k( 231) = ( 0.2756410 0.2756410 0.5000000), wk = 0.0031447 k( 232) = ( 0.2692308 0.2692308 0.5000000), wk = 0.0031447 k( 233) = ( 0.2628205 0.2628205 0.5000000), wk = 0.0031447 k( 234) = ( 0.2564103 0.2564103 0.5000000), wk = 0.0031447 k( 235) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0031447 k( 236) = ( 0.2435897 0.2435897 0.5000000), wk = 0.0031447 k( 237) = ( 0.2371795 0.2371795 0.5000000), wk = 0.0031447 k( 238) = ( 0.2307692 0.2307692 0.5000000), wk = 0.0031447 k( 239) = ( 0.2243590 0.2243590 0.5000000), wk = 0.0031447 k( 240) = ( 0.2179487 0.2179487 0.5000000), wk = 0.0031447 k( 241) = ( 0.2115385 0.2115385 0.5000000), wk = 0.0031447 k( 242) = ( 0.2051282 0.2051282 0.5000000), wk = 0.0031447 k( 243) = ( 0.1987180 0.1987180 0.5000000), wk = 0.0031447 k( 244) = ( 0.1923077 0.1923077 0.5000000), wk = 0.0031447 k( 245) = ( 0.1858974 0.1858974 0.5000000), wk = 0.0031447 k( 246) = ( 0.1794872 0.1794872 0.5000000), wk = 0.0031447 k( 247) = ( 0.1730769 0.1730769 0.5000000), wk = 0.0031447 k( 248) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0031447 k( 249) = ( 0.1602564 0.1602564 0.5000000), wk = 0.0031447 k( 250) = ( 0.1538461 0.1538461 0.5000000), wk = 0.0031447 k( 251) = ( 0.1474359 0.1474359 0.5000000), wk = 0.0031447 k( 252) = ( 0.1410256 0.1410256 0.5000000), wk = 0.0031447 k( 253) = ( 0.1346154 0.1346154 0.5000000), wk = 0.0031447 k( 254) = ( 0.1282051 0.1282051 0.5000000), wk = 0.0031447 k( 255) = ( 0.1217949 0.1217949 0.5000000), wk = 0.0031447 k( 256) = ( 0.1153846 0.1153846 0.5000000), wk = 0.0031447 k( 257) = ( 0.1089744 0.1089744 0.5000000), wk = 0.0031447 k( 258) = ( 0.1025641 0.1025641 0.5000000), wk = 0.0031447 k( 259) = ( 0.0961538 0.0961538 0.5000000), wk = 0.0031447 k( 260) = ( 0.0897436 0.0897436 0.5000000), wk = 0.0031447 k( 261) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0031447 k( 262) = ( 0.0769231 0.0769231 0.5000000), wk = 0.0031447 k( 263) = ( 0.0705128 0.0705128 0.5000000), wk = 0.0031447 k( 264) = ( 0.0641026 0.0641026 0.5000000), wk = 0.0031447 k( 265) = ( 0.0576923 0.0576923 0.5000000), wk = 0.0031447 k( 266) = ( 0.0512821 0.0512821 0.5000000), wk = 0.0031447 k( 267) = ( 0.0448718 0.0448718 0.5000000), wk = 0.0031447 k( 268) = ( 0.0384615 0.0384615 0.5000000), wk = 0.0031447 k( 269) = ( 0.0320513 0.0320513 0.5000000), wk = 0.0031447 k( 270) = ( 0.0256410 0.0256410 0.5000000), wk = 0.0031447 k( 271) = ( 0.0192308 0.0192308 0.5000000), wk = 0.0031447 k( 272) = ( 0.0128205 0.0128205 0.5000000), wk = 0.0031447 k( 273) = ( 0.0064103 0.0064103 0.5000000), wk = 0.0031447 k( 274) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031447 k( 275) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0031447 k( 276) = ( 0.5000000 0.0000000 0.4761905), wk = 0.0031447 k( 277) = ( 0.5000000 0.0000000 0.4523810), wk = 0.0031447 k( 278) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0031447 k( 279) = ( 0.5000000 0.0000000 0.4047619), wk = 0.0031447 k( 280) = ( 0.5000000 0.0000000 0.3809524), wk = 0.0031447 k( 281) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0031447 k( 282) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0031447 k( 283) = ( 0.5000000 0.0000000 0.3095238), wk = 0.0031447 k( 284) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0031447 k( 285) = ( 0.5000000 0.0000000 0.2619048), wk = 0.0031447 k( 286) = ( 0.5000000 0.0000000 0.2380952), wk = 0.0031447 k( 287) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0031447 k( 288) = ( 0.5000000 0.0000000 0.1904762), wk = 0.0031447 k( 289) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0031447 k( 290) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0031447 k( 291) = ( 0.5000000 0.0000000 0.1190476), wk = 0.0031447 k( 292) = ( 0.5000000 0.0000000 0.0952381), wk = 0.0031447 k( 293) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0031447 k( 294) = ( 0.5000000 0.0000000 0.0476191), wk = 0.0031447 k( 295) = ( 0.5000000 0.0000000 0.0238095), wk = 0.0031447 k( 296) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0031447 k( 297) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0031447 k( 298) = ( 0.3333333 0.3333333 0.0238095), wk = 0.0031447 k( 299) = ( 0.3333333 0.3333333 0.0476191), wk = 0.0031447 k( 300) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0031447 k( 301) = ( 0.3333333 0.3333333 0.0952381), wk = 0.0031447 k( 302) = ( 0.3333333 0.3333333 0.1190476), wk = 0.0031447 k( 303) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0031447 k( 304) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0031447 k( 305) = ( 0.3333333 0.3333333 0.1904762), wk = 0.0031447 k( 306) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0031447 k( 307) = ( 0.3333333 0.3333333 0.2380952), wk = 0.0031447 k( 308) = ( 0.3333333 0.3333333 0.2619048), wk = 0.0031447 k( 309) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0031447 k( 310) = ( 0.3333333 0.3333333 0.3095238), wk = 0.0031447 k( 311) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0031447 k( 312) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0031447 k( 313) = ( 0.3333333 0.3333333 0.3809524), wk = 0.0031447 k( 314) = ( 0.3333333 0.3333333 0.4047619), wk = 0.0031447 k( 315) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0031447 k( 316) = ( 0.3333333 0.3333333 0.4523810), wk = 0.0031447 k( 317) = ( 0.3333333 0.3333333 0.4761905), wk = 0.0031447 k( 318) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0031447 Dense grid: 57371 G-vectors FFT dimensions: ( 45, 45, 80) Smooth grid: 31575 G-vectors FFT dimensions: ( 36, 36, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 220, 62) NL pseudopotentials 0.34 Mb ( 110, 204) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.01 Mb ( 1595) G-vector shells 0.01 Mb ( 771) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.83 Mb ( 220, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.39 Mb ( 204, 2, 62) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./CaCuP.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 5.0 secs Computing kpt #: 2 total cpu time spent up to now is 5.7 secs Computing kpt #: 3 total cpu time spent up to now is 6.6 secs Computing kpt #: 4 total cpu time spent up to now is 7.4 secs Computing kpt #: 5 total cpu time spent up to now is 8.2 secs Computing kpt #: 6 total cpu time spent up to now is 9.0 secs Computing kpt #: 7 total cpu time spent up to now is 9.9 secs Computing kpt #: 8 total cpu time spent up to now is 10.9 secs Computing kpt #: 9 total cpu time spent up to now is 12.5 secs Computing kpt #: 10 total cpu time spent up to now is 13.5 secs Computing kpt #: 11 total cpu time spent up to now is 14.4 secs Computing kpt #: 12 total cpu time spent up to now is 15.3 secs Computing kpt #: 13 total cpu time spent up to now is 16.3 secs Computing kpt #: 14 total cpu time spent up to now is 17.1 secs Computing kpt #: 15 total cpu time spent up to now is 18.2 secs Computing kpt #: 16 total cpu time spent up to now is 19.3 secs Computing kpt #: 17 total cpu time spent up to now is 20.6 secs Computing kpt #: 18 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 22.6 secs Computing kpt #: 19 total cpu time spent up to now is 23.5 secs Computing kpt #: 20 total cpu time spent up to now is 24.8 secs Computing kpt #: 21 total cpu time spent up to now is 25.9 secs Computing kpt #: 22 total cpu time spent up to now is 27.2 secs Computing kpt #: 23 total cpu time spent up to now is 28.5 secs Computing kpt #: 24 total cpu time spent up to now is 29.7 secs Computing kpt #: 25 total cpu time spent up to now is 30.8 secs Computing kpt #: 26 total cpu time spent up to now is 32.1 secs Computing kpt #: 27 total cpu time spent up to now is 33.2 secs Computing kpt #: 28 total cpu time spent up to now is 34.4 secs Computing kpt #: 29 total cpu time spent up to now is 35.6 secs Computing kpt #: 30 total cpu time spent up to now is 37.0 secs Computing kpt #: 31 total cpu time spent up to now is 38.8 secs Computing kpt #: 32 total cpu time spent up to now is 40.3 secs Computing kpt #: 33 total cpu time spent up to now is 41.5 secs Computing kpt #: 34 total cpu time spent up to now is 42.6 secs Computing kpt #: 35 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 44.5 secs Computing kpt #: 36 total cpu time spent up to now is 46.1 secs Computing kpt #: 37 total cpu time spent up to now is 47.6 secs Computing kpt #: 38 total cpu time spent up to now is 49.0 secs Computing kpt #: 39 total cpu time spent up to now is 49.9 secs Computing kpt #: 40 total cpu time spent up to now is 50.9 secs Computing kpt #: 41 total cpu time spent up to now is 52.3 secs Computing kpt #: 42 total cpu time spent up to now is 53.7 secs Computing kpt #: 43 total cpu time spent up to now is 55.2 secs Computing kpt #: 44 total cpu time spent up to now is 56.7 secs Computing kpt #: 45 total cpu time spent up to now is 58.1 secs Computing kpt #: 46 total cpu time spent up to now is 59.6 secs Computing kpt #: 47 total cpu time spent up to now is 60.8 secs Computing kpt #: 48 total cpu time spent up to now is 62.0 secs Computing kpt #: 49 total cpu time spent up to now is 63.5 secs Computing kpt #: 50 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 65.3 secs Computing kpt #: 51 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 67.2 secs Computing kpt #: 52 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 69.0 secs Computing kpt #: 53 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 70.8 secs Computing kpt #: 54 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 72.6 secs Computing kpt #: 55 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 74.5 secs Computing kpt #: 56 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 76.3 secs Computing kpt #: 57 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 78.1 secs Computing kpt #: 58 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 79.9 secs Computing kpt #: 59 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 81.7 secs Computing kpt #: 60 total cpu time spent up to now is 83.3 secs Computing kpt #: 61 total cpu time spent up to now is 84.8 secs Computing kpt #: 62 total cpu time spent up to now is 87.1 secs Computing kpt #: 63 total cpu time spent up to now is 88.4 secs Computing kpt #: 64 total cpu time spent up to now is 89.6 secs Computing kpt #: 65 total cpu time spent up to now is 90.8 secs Computing kpt #: 66 total cpu time spent up to now is 91.8 secs Computing kpt #: 67 total cpu time spent up to now is 92.9 secs Computing kpt #: 68 total cpu time spent up to now is 93.9 secs Computing kpt #: 69 total cpu time spent up to now is 95.0 secs Computing kpt #: 70 total cpu time spent up to now is 96.0 secs Computing kpt #: 71 total cpu time spent up to now is 97.1 secs Computing kpt #: 72 total cpu time spent up to now is 98.1 secs Computing kpt #: 73 total cpu time spent up to now is 99.1 secs Computing kpt #: 74 total cpu time spent up to now is 100.1 secs Computing kpt #: 75 total cpu time spent up to now is 101.7 secs Computing kpt #: 76 total cpu time spent up to now is 102.7 secs Computing kpt #: 77 total cpu time spent up to now is 103.7 secs Computing kpt #: 78 total cpu time spent up to now is 104.8 secs Computing kpt #: 79 total cpu time spent up to now is 105.8 secs Computing kpt #: 80 total cpu time spent up to now is 107.0 secs Computing kpt #: 81 total cpu time spent up to now is 108.3 secs Computing kpt #: 82 total cpu time spent up to now is 109.5 secs Computing kpt #: 83 total cpu time spent up to now is 110.6 secs Computing kpt #: 84 total cpu time spent up to now is 111.5 secs Computing kpt #: 85 total cpu time spent up to now is 112.3 secs Computing kpt #: 86 total cpu time spent up to now is 113.1 secs Computing kpt #: 87 total cpu time spent up to now is 114.0 secs Computing kpt #: 88 total cpu time spent up to now is 114.8 secs Computing kpt #: 89 total cpu time spent up to now is 115.5 secs Computing kpt #: 90 total cpu time spent up to now is 116.2 secs Computing kpt #: 91 total cpu time spent up to now is 117.0 secs Computing kpt #: 92 total cpu time spent up to now is 117.7 secs Computing kpt #: 93 total cpu time spent up to now is 118.4 secs Computing kpt #: 94 total cpu time spent up to now is 119.2 secs Computing kpt #: 95 total cpu time spent up to now is 119.9 secs Computing kpt #: 96 total cpu time spent up to now is 120.6 secs Computing kpt #: 97 total cpu time spent up to now is 121.4 secs Computing kpt #: 98 total cpu time spent up to now is 122.1 secs Computing kpt #: 99 total cpu time spent up to now is 122.9 secs Computing kpt #: 100 total cpu time spent up to now is 123.6 secs Computing kpt #: 101 total cpu time spent up to now is 124.5 secs Computing kpt #: 102 total cpu time spent up to now is 125.4 secs Computing kpt #: 103 total cpu time spent up to now is 126.2 secs Computing kpt #: 104 total cpu time spent up to now is 127.2 secs Computing kpt #: 105 total cpu time spent up to now is 128.3 secs Computing kpt #: 106 total cpu time spent up to now is 129.2 secs Computing kpt #: 107 total cpu time spent up to now is 130.3 secs Computing kpt #: 108 total cpu time spent up to now is 131.4 secs Computing kpt #: 109 total cpu time spent up to now is 132.4 secs Computing kpt #: 110 total cpu time spent up to now is 133.7 secs Computing kpt #: 111 total cpu time spent up to now is 134.7 secs Computing kpt #: 112 total cpu time spent up to now is 136.1 secs Computing kpt #: 113 total cpu time spent up to now is 137.7 secs Computing kpt #: 114 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 139.6 secs Computing kpt #: 115 total cpu time spent up to now is 140.7 secs Computing kpt #: 116 total cpu time spent up to now is 142.1 secs Computing kpt #: 117 total cpu time spent up to now is 143.2 secs Computing kpt #: 118 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 145.1 secs Computing kpt #: 119 total cpu time spent up to now is 146.1 secs Computing kpt #: 120 total cpu time spent up to now is 146.9 secs Computing kpt #: 121 total cpu time spent up to now is 147.7 secs Computing kpt #: 122 total cpu time spent up to now is 148.5 secs Computing kpt #: 123 total cpu time spent up to now is 149.2 secs Computing kpt #: 124 total cpu time spent up to now is 150.0 secs Computing kpt #: 125 total cpu time spent up to now is 150.7 secs Computing kpt #: 126 total cpu time spent up to now is 151.5 secs Computing kpt #: 127 total cpu time spent up to now is 152.2 secs Computing kpt #: 128 total cpu time spent up to now is 152.9 secs Computing kpt #: 129 total cpu time spent up to now is 153.7 secs Computing kpt #: 130 total cpu time spent up to now is 154.4 secs Computing kpt #: 131 total cpu time spent up to now is 155.2 secs Computing kpt #: 132 total cpu time spent up to now is 156.0 secs Computing kpt #: 133 total cpu time spent up to now is 156.7 secs Computing kpt #: 134 total cpu time spent up to now is 157.5 secs Computing kpt #: 135 total cpu time spent up to now is 158.2 secs Computing kpt #: 136 total cpu time spent up to now is 159.0 secs Computing kpt #: 137 total cpu time spent up to now is 159.7 secs Computing kpt #: 138 total cpu time spent up to now is 160.5 secs Computing kpt #: 139 total cpu time spent up to now is 161.3 secs Computing kpt #: 140 total cpu time spent up to now is 162.0 secs Computing kpt #: 141 total cpu time spent up to now is 162.8 secs Computing kpt #: 142 total cpu time spent up to now is 163.7 secs Computing kpt #: 143 total cpu time spent up to now is 164.5 secs Computing kpt #: 144 total cpu time spent up to now is 165.5 secs Computing kpt #: 145 total cpu time spent up to now is 166.6 secs Computing kpt #: 146 total cpu time spent up to now is 167.8 secs Computing kpt #: 147 total cpu time spent up to now is 169.0 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 170.9 secs Computing kpt #: 149 total cpu time spent up to now is 172.6 secs Computing kpt #: 150 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 174.5 secs Computing kpt #: 151 total cpu time spent up to now is 175.6 secs Computing kpt #: 152 total cpu time spent up to now is 176.5 secs Computing kpt #: 153 total cpu time spent up to now is 177.7 secs Computing kpt #: 154 total cpu time spent up to now is 178.7 secs Computing kpt #: 155 total cpu time spent up to now is 179.7 secs Computing kpt #: 156 total cpu time spent up to now is 180.8 secs Computing kpt #: 157 total cpu time spent up to now is 181.8 secs Computing kpt #: 158 total cpu time spent up to now is 182.9 secs Computing kpt #: 159 total cpu time spent up to now is 184.0 secs Computing kpt #: 160 total cpu time spent up to now is 185.1 secs Computing kpt #: 161 total cpu time spent up to now is 186.2 secs Computing kpt #: 162 total cpu time spent up to now is 187.4 secs Computing kpt #: 163 total cpu time spent up to now is 188.8 secs Computing kpt #: 164 total cpu time spent up to now is 189.9 secs Computing kpt #: 165 total cpu time spent up to now is 191.3 secs Computing kpt #: 166 total cpu time spent up to now is 192.7 secs Computing kpt #: 167 total cpu time spent up to now is 194.3 secs Computing kpt #: 168 total cpu time spent up to now is 195.9 secs Computing kpt #: 169 total cpu time spent up to now is 197.2 secs Computing kpt #: 170 total cpu time spent up to now is 198.6 secs Computing kpt #: 171 total cpu time spent up to now is 200.0 secs Computing kpt #: 172 total cpu time spent up to now is 201.3 secs Computing kpt #: 173 total cpu time spent up to now is 202.6 secs Computing kpt #: 174 total cpu time spent up to now is 203.9 secs Computing kpt #: 175 total cpu time spent up to now is 205.2 secs Computing kpt #: 176 total cpu time spent up to now is 206.5 secs Computing kpt #: 177 total cpu time spent up to now is 207.7 secs Computing kpt #: 178 total cpu time spent up to now is 209.0 secs Computing kpt #: 179 total cpu time spent up to now is 210.2 secs Computing kpt #: 180 total cpu time spent up to now is 211.0 secs Computing kpt #: 181 total cpu time spent up to now is 212.2 secs Computing kpt #: 182 total cpu time spent up to now is 213.3 secs Computing kpt #: 183 total cpu time spent up to now is 214.2 secs Computing kpt #: 184 total cpu time spent up to now is 215.2 secs Computing kpt #: 185 total cpu time spent up to now is 216.3 secs Computing kpt #: 186 total cpu time spent up to now is 217.3 secs Computing kpt #: 187 total cpu time spent up to now is 218.4 secs Computing kpt #: 188 total cpu time spent up to now is 219.5 secs Computing kpt #: 189 total cpu time spent up to now is 220.7 secs Computing kpt #: 190 total cpu time spent up to now is 221.9 secs Computing kpt #: 191 total cpu time spent up to now is 223.1 secs Computing kpt #: 192 total cpu time spent up to now is 224.4 secs Computing kpt #: 193 total cpu time spent up to now is 225.8 secs Computing kpt #: 194 total cpu time spent up to now is 227.3 secs Computing kpt #: 195 total cpu time spent up to now is 228.7 secs Computing kpt #: 196 total cpu time spent up to now is 229.8 secs Computing kpt #: 197 total cpu time spent up to now is 230.7 secs Computing kpt #: 198 total cpu time spent up to now is 231.7 secs Computing kpt #: 199 total cpu time spent up to now is 232.6 secs Computing kpt #: 200 total cpu time spent up to now is 233.4 secs Computing kpt #: 201 total cpu time spent up to now is 234.3 secs Computing kpt #: 202 total cpu time spent up to now is 235.2 secs Computing kpt #: 203 total cpu time spent up to now is 236.0 secs Computing kpt #: 204 total cpu time spent up to now is 236.8 secs Computing kpt #: 205 total cpu time spent up to now is 237.6 secs Computing kpt #: 206 total cpu time spent up to now is 238.5 secs Computing kpt #: 207 total cpu time spent up to now is 239.3 secs Computing kpt #: 208 total cpu time spent up to now is 240.1 secs Computing kpt #: 209 total cpu time spent up to now is 241.0 secs Computing kpt #: 210 total cpu time spent up to now is 241.8 secs Computing kpt #: 211 total cpu time spent up to now is 242.7 secs Computing kpt #: 212 total cpu time spent up to now is 245.8 secs Computing kpt #: 213 total cpu time spent up to now is 246.9 secs Computing kpt #: 214 total cpu time spent up to now is 248.0 secs Computing kpt #: 215 total cpu time spent up to now is 249.1 secs Computing kpt #: 216 total cpu time spent up to now is 250.0 secs Computing kpt #: 217 total cpu time spent up to now is 250.9 secs Computing kpt #: 218 total cpu time spent up to now is 251.8 secs Computing kpt #: 219 total cpu time spent up to now is 253.1 secs Computing kpt #: 220 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 255.0 secs Computing kpt #: 221 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 256.9 secs Computing kpt #: 222 total cpu time spent up to now is 258.1 secs Computing kpt #: 223 total cpu time spent up to now is 259.2 secs Computing kpt #: 224 total cpu time spent up to now is 260.2 secs Computing kpt #: 225 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 262.1 secs Computing kpt #: 226 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 264.1 secs Computing kpt #: 227 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 266.0 secs Computing kpt #: 228 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 267.8 secs Computing kpt #: 229 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 269.8 secs Computing kpt #: 230 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 271.6 secs Computing kpt #: 231 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 273.5 secs Computing kpt #: 232 total cpu time spent up to now is 274.9 secs Computing kpt #: 233 total cpu time spent up to now is 276.1 secs Computing kpt #: 234 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 278.0 secs Computing kpt #: 235 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 279.8 secs Computing kpt #: 236 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 281.6 secs Computing kpt #: 237 total cpu time spent up to now is 282.6 secs Computing kpt #: 238 total cpu time spent up to now is 283.5 secs Computing kpt #: 239 total cpu time spent up to now is 284.8 secs Computing kpt #: 240 total cpu time spent up to now is 285.7 secs Computing kpt #: 241 total cpu time spent up to now is 286.8 secs Computing kpt #: 242 total cpu time spent up to now is 287.8 secs Computing kpt #: 243 total cpu time spent up to now is 288.7 secs Computing kpt #: 244 total cpu time spent up to now is 289.7 secs Computing kpt #: 245 total cpu time spent up to now is 290.8 secs Computing kpt #: 246 total cpu time spent up to now is 291.7 secs Computing kpt #: 247 total cpu time spent up to now is 292.5 secs Computing kpt #: 248 total cpu time spent up to now is 293.5 secs Computing kpt #: 249 total cpu time spent up to now is 294.3 secs Computing kpt #: 250 total cpu time spent up to now is 295.2 secs Computing kpt #: 251 total cpu time spent up to now is 296.0 secs Computing kpt #: 252 total cpu time spent up to now is 296.8 secs Computing kpt #: 253 total cpu time spent up to now is 297.8 secs Computing kpt #: 254 total cpu time spent up to now is 298.7 secs Computing kpt #: 255 total cpu time spent up to now is 299.5 secs Computing kpt #: 256 total cpu time spent up to now is 300.5 secs Computing kpt #: 257 total cpu time spent up to now is 301.6 secs Computing kpt #: 258 total cpu time spent up to now is 302.6 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 304.5 secs Computing kpt #: 261 total cpu time spent up to now is 305.6 secs Computing kpt #: 262 total cpu time spent up to now is 306.8 secs Computing kpt #: 263 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 308.8 secs Computing kpt #: 264 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 310.7 secs Computing kpt #: 265 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 312.7 secs Computing kpt #: 266 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 314.7 secs Computing kpt #: 267 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 316.6 secs Computing kpt #: 268 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 318.5 secs Computing kpt #: 269 total cpu time spent up to now is 319.6 secs Computing kpt #: 270 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 321.4 secs Computing kpt #: 271 total cpu time spent up to now is 322.5 secs Computing kpt #: 272 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 324.5 secs Computing kpt #: 273 total cpu time spent up to now is 326.2 secs Computing kpt #: 274 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 328.1 secs Computing kpt #: 275 total cpu time spent up to now is 329.4 secs Computing kpt #: 276 total cpu time spent up to now is 330.8 secs Computing kpt #: 277 total cpu time spent up to now is 332.0 secs Computing kpt #: 278 total cpu time spent up to now is 333.3 secs Computing kpt #: 279 total cpu time spent up to now is 334.3 secs Computing kpt #: 280 total cpu time spent up to now is 335.2 secs Computing kpt #: 281 total cpu time spent up to now is 336.0 secs Computing kpt #: 282 total cpu time spent up to now is 337.0 secs Computing kpt #: 283 total cpu time spent up to now is 337.8 secs Computing kpt #: 284 total cpu time spent up to now is 338.8 secs Computing kpt #: 285 total cpu time spent up to now is 339.8 secs Computing kpt #: 286 total cpu time spent up to now is 340.8 secs Computing kpt #: 287 total cpu time spent up to now is 342.0 secs Computing kpt #: 288 total cpu time spent up to now is 343.2 secs Computing kpt #: 289 total cpu time spent up to now is 344.4 secs Computing kpt #: 290 total cpu time spent up to now is 345.6 secs Computing kpt #: 291 total cpu time spent up to now is 346.8 secs Computing kpt #: 292 total cpu time spent up to now is 348.1 secs Computing kpt #: 293 total cpu time spent up to now is 349.4 secs Computing kpt #: 294 total cpu time spent up to now is 350.7 secs Computing kpt #: 295 total cpu time spent up to now is 352.2 secs Computing kpt #: 296 total cpu time spent up to now is 353.4 secs Computing kpt #: 297 total cpu time spent up to now is 354.4 secs Computing kpt #: 298 total cpu time spent up to now is 355.4 secs Computing kpt #: 299 total cpu time spent up to now is 356.5 secs Computing kpt #: 300 total cpu time spent up to now is 357.6 secs Computing kpt #: 301 total cpu time spent up to now is 358.7 secs Computing kpt #: 302 total cpu time spent up to now is 359.7 secs Computing kpt #: 303 total cpu time spent up to now is 360.8 secs Computing kpt #: 304 total cpu time spent up to now is 361.9 secs Computing kpt #: 305 total cpu time spent up to now is 363.0 secs Computing kpt #: 306 total cpu time spent up to now is 364.0 secs Computing kpt #: 307 total cpu time spent up to now is 365.0 secs Computing kpt #: 308 total cpu time spent up to now is 366.0 secs Computing kpt #: 309 total cpu time spent up to now is 367.0 secs Computing kpt #: 310 total cpu time spent up to now is 367.9 secs Computing kpt #: 311 total cpu time spent up to now is 368.9 secs Computing kpt #: 312 total cpu time spent up to now is 369.9 secs Computing kpt #: 313 total cpu time spent up to now is 370.8 secs Computing kpt #: 314 total cpu time spent up to now is 371.8 secs Computing kpt #: 315 total cpu time spent up to now is 372.8 secs Computing kpt #: 316 total cpu time spent up to now is 373.8 secs Computing kpt #: 317 total cpu time spent up to now is 374.9 secs Computing kpt #: 318 total cpu time spent up to now is 376.1 secs ethr = 1.92E-08, avg # of iterations = 59.1 total cpu time spent up to now is 376.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3949 PWs) bands (ev): -31.4164 -31.4164 -31.4104 -31.4104 -12.7194 -12.7194 -12.6767 -12.6767 -12.3680 -12.3680 -12.3014 -12.3014 -12.2980 -12.2980 -12.2871 -12.2871 -1.9828 -1.9828 -1.3057 -1.3057 4.7210 4.7210 4.9415 4.9415 5.0613 5.0613 5.1260 5.1260 5.2616 5.2616 5.9227 5.9227 6.2154 6.2154 6.2450 6.2450 6.2624 6.2624 6.4260 6.4260 6.5857 6.5857 7.9858 7.9858 9.0609 9.0609 9.1034 9.1034 9.9038 9.9038 9.9349 9.9349 10.7963 10.7963 11.0266 11.0266 11.1729 11.1729 11.5307 11.5307 11.5324 11.5324 k = 0.0111 0.0064-0.0000 ( 3937 PWs) bands (ev): -31.4164 -31.4164 -31.4104 -31.4104 -12.7194 -12.7194 -12.6766 -12.6766 -12.3680 -12.3680 -12.3014 -12.3014 -12.2980 -12.2980 -12.2871 -12.2871 -1.9816 -1.9816 -1.3051 -1.3051 4.7220 4.7220 4.9415 4.9415 5.0612 5.0612 5.1258 5.1258 5.2612 5.2612 5.9230 5.9230 6.2153 6.2153 6.2453 6.2453 6.2622 6.2622 6.4263 6.4263 6.5857 6.5857 7.9862 7.9862 9.0548 9.0548 9.0981 9.0981 9.8885 9.8885 9.9222 9.9222 10.7967 10.7967 11.0414 11.0414 11.1812 11.1812 11.5395 11.5395 11.5414 11.5414 k = 0.0222 0.0128-0.0000 ( 3937 PWs) bands (ev): -31.4164 -31.4164 -31.4104 -31.4104 -12.7195 -12.7195 -12.6767 -12.6767 -12.3680 -12.3680 -12.3014 -12.3014 -12.2983 -12.2983 -12.2874 -12.2874 -1.9782 -1.9782 -1.3034 -1.3034 4.7250 4.7250 4.9416 4.9416 5.0609 5.0609 5.1250 5.1250 5.2601 5.2601 5.9237 5.9237 6.2148 6.2148 6.2457 6.2457 6.2613 6.2613 6.4269 6.4269 6.5856 6.5856 7.9873 7.9873 9.0328 9.0328 9.0863 9.0863 9.8367 9.8367 9.8943 9.8943 10.7977 10.7977 11.0803 11.0803 11.2057 11.2057 11.5639 11.5639 11.5710 11.5710 k = 0.0333 0.0192-0.0000 ( 3937 PWs) bands (ev): -31.4163 -31.4163 -31.4104 -31.4104 -12.7196 -12.7196 -12.6770 -12.6770 -12.3681 -12.3681 -12.3015 -12.3015 -12.2986 -12.2986 -12.2877 -12.2877 -1.9726 -1.9726 -1.3005 -1.3005 4.7299 4.7299 4.9414 4.9414 5.0605 5.0605 5.1236 5.1236 5.2585 5.2585 5.9248 5.9248 6.2140 6.2140 6.2465 6.2465 6.2600 6.2600 6.4278 6.4278 6.5855 6.5855 7.9892 7.9892 8.9911 8.9911 9.0734 9.0734 9.7532 9.7532 9.8566 9.8566 10.7990 10.7990 11.1298 11.1298 11.2473 11.2473 11.6026 11.6026 11.6237 11.6237 k = 0.0444 0.0257-0.0000 ( 3931 PWs) bands (ev): -31.4163 -31.4163 -31.4103 -31.4103 -12.7196 -12.7196 -12.6773 -12.6773 -12.3682 -12.3682 -12.3017 -12.3017 -12.2991 -12.2991 -12.2882 -12.2882 -1.9647 -1.9647 -1.2965 -1.2965 4.7368 4.7368 4.9411 4.9411 5.0602 5.0602 5.1212 5.1212 5.2568 5.2568 5.9264 5.9264 6.2126 6.2126 6.2476 6.2476 6.2583 6.2583 6.4292 6.4292 6.5852 6.5852 7.9918 7.9918 8.9319 8.9319 9.0597 9.0597 9.6495 9.6495 9.8087 9.8087 10.8002 10.8002 11.1736 11.1736 11.3098 11.3098 11.6542 11.6542 11.7002 11.7002 k = 0.0556 0.0321-0.0000 ( 3933 PWs) bands (ev): -31.4162 -31.4162 -31.4102 -31.4102 -12.7197 -12.7197 -12.6777 -12.6777 -12.3683 -12.3683 -12.3021 -12.3021 -12.2997 -12.2997 -12.2888 -12.2888 -1.9545 -1.9545 -1.2914 -1.2914 4.7456 4.7456 4.9401 4.9401 5.0602 5.0602 5.1175 5.1175 5.2551 5.2551 5.9284 5.9284 6.2106 6.2106 6.2488 6.2488 6.2565 6.2565 6.4311 6.4311 6.5850 6.5850 7.9951 7.9951 8.8589 8.8589 9.0438 9.0438 9.5335 9.5335 9.7516 9.7516 10.8014 10.8014 11.2049 11.2049 11.3919 11.3919 11.7165 11.7165 11.7989 11.7989 k = 0.0667 0.0385-0.0000 ( 3943 PWs) bands (ev): -31.4161 -31.4161 -31.4102 -31.4102 -12.7199 -12.7199 -12.6782 -12.6782 -12.3685 -12.3685 -12.3027 -12.3027 -12.3002 -12.3002 -12.2895 -12.2895 -1.9422 -1.9422 -1.2852 -1.2852 4.7562 4.7562 4.9382 4.9382 5.0605 5.0605 5.1120 5.1120 5.2542 5.2542 5.9306 5.9306 6.2078 6.2078 6.2500 6.2500 6.2549 6.2549 6.4334 6.4334 6.5847 6.5847 7.9992 7.9992 8.7751 8.7751 9.0253 9.0253 9.4101 9.4101 9.6870 9.6870 10.8023 10.8023 11.2267 11.2267 11.4875 11.4875 11.7875 11.7875 11.9154 11.9154 k = 0.0778 0.0449-0.0000 ( 3949 PWs) bands (ev): -31.4160 -31.4160 -31.4101 -31.4101 -12.7200 -12.7200 -12.6789 -12.6789 -12.3687 -12.3687 -12.3036 -12.3036 -12.3006 -12.3006 -12.2904 -12.2904 -1.9277 -1.9277 -1.2779 -1.2779 4.7685 4.7685 4.9352 4.9352 5.0615 5.0615 5.1046 5.1046 5.2543 5.2543 5.9332 5.9332 6.2041 6.2041 6.2505 6.2505 6.2545 6.2545 6.4363 6.4363 6.5844 6.5844 8.0040 8.0040 8.6829 8.6829 9.0038 9.0038 9.2828 9.2828 9.6164 9.6164 10.8026 10.8026 11.2427 11.2427 11.5917 11.5917 11.8656 11.8656 12.0451 12.0451 k = 0.0889 0.0513-0.0000 ( 3949 PWs) bands (ev): -31.4159 -31.4159 -31.4099 -31.4099 -12.7202 -12.7202 -12.6795 -12.6795 -12.3689 -12.3689 -12.3047 -12.3047 -12.3008 -12.3008 -12.2914 -12.2914 -1.9111 -1.9111 -1.2695 -1.2695 4.7826 4.7826 4.9307 4.9307 5.0623 5.0623 5.0960 5.0960 5.2558 5.2558 5.9360 5.9360 6.1994 6.1994 6.2500 6.2500 6.2557 6.2557 6.4398 6.4398 6.5842 6.5842 8.0095 8.0095 8.5844 8.5844 8.9791 8.9791 9.1542 9.1542 9.5413 9.5413 10.8020 10.8020 11.2557 11.2557 11.7018 11.7018 11.9490 11.9490 12.0887 12.0887 k = 0.1000 0.0577-0.0000 ( 3955 PWs) bands (ev): -31.4158 -31.4158 -31.4098 -31.4098 -12.7204 -12.7204 -12.6802 -12.6802 -12.3691 -12.3691 -12.3061 -12.3061 -12.3010 -12.3010 -12.2925 -12.2925 -1.8923 -1.8923 -1.2600 -1.2600 4.7983 4.7983 4.9247 4.9247 5.0602 5.0602 5.0887 5.0887 5.2591 5.2591 5.9389 5.9389 6.1938 6.1938 6.2494 6.2494 6.2575 6.2575 6.4440 6.4440 6.5841 6.5841 8.0157 8.0157 8.4811 8.4811 8.9491 8.9491 9.0275 9.0275 9.4627 9.4627 10.8002 10.8002 11.2673 11.2673 11.8154 11.8154 12.0364 12.0364 12.0378 12.0378 k = 0.1111 0.0642-0.0000 ( 3957 PWs) bands (ev): -31.4157 -31.4157 -31.4097 -31.4097 -12.7206 -12.7206 -12.6811 -12.6811 -12.3694 -12.3694 -12.3077 -12.3077 -12.3011 -12.3011 -12.2937 -12.2937 -1.8715 -1.8715 -1.2496 -1.2496 4.8156 4.8156 4.9168 4.9168 5.0504 5.0504 5.0878 5.0878 5.2641 5.2641 5.9419 5.9419 6.1872 6.1872 6.2491 6.2491 6.2596 6.2596 6.4489 6.4489 6.5841 6.5841 8.0225 8.0225 8.3743 8.3743 8.8821 8.8821 8.9360 8.9360 9.3816 9.3816 10.7966 10.7966 11.2787 11.2787 11.9305 11.9305 11.9822 11.9822 12.1269 12.1269 k = 0.1222 0.0706-0.0000 ( 3953 PWs) bands (ev): -31.4155 -31.4155 -31.4095 -31.4095 -12.7209 -12.7209 -12.6819 -12.6819 -12.3697 -12.3697 -12.3093 -12.3093 -12.3012 -12.3012 -12.2951 -12.2951 -1.8487 -1.8487 -1.2381 -1.2381 4.8342 4.8342 4.9072 4.9072 5.0333 5.0333 5.0930 5.0930 5.2707 5.2707 5.9447 5.9447 6.1799 6.1799 6.2492 6.2492 6.2617 6.2617 6.4546 6.4546 6.5845 6.5845 8.0300 8.0300 8.2654 8.2654 8.7604 8.7604 8.8978 8.8978 9.2988 9.2988 10.7909 10.7909 11.2907 11.2907 11.9219 11.9219 12.0459 12.0459 12.2192 12.2192 k = 0.1333 0.0770-0.0000 ( 3943 PWs) bands (ev): -31.4153 -31.4153 -31.4094 -31.4094 -12.7212 -12.7212 -12.6829 -12.6829 -12.3700 -12.3700 -12.3111 -12.3111 -12.3013 -12.3013 -12.2964 -12.2964 -1.8239 -1.8239 -1.2257 -1.2257 4.8541 4.8541 4.8959 4.8959 5.0116 5.0116 5.1015 5.1015 5.2790 5.2790 5.9473 5.9473 6.1722 6.1722 6.2498 6.2498 6.2637 6.2637 6.4610 6.4610 6.5854 6.5854 8.0380 8.0380 8.1551 8.1551 8.6350 8.6350 8.8626 8.8626 9.2148 9.2148 10.7829 10.7829 11.3041 11.3041 11.8586 11.8586 12.1584 12.1584 12.3125 12.3125 k = 0.1444 0.0834-0.0000 ( 3939 PWs) bands (ev): -31.4151 -31.4151 -31.4092 -31.4092 -12.7215 -12.7215 -12.6839 -12.6839 -12.3704 -12.3704 -12.3131 -12.3131 -12.3014 -12.3014 -12.2979 -12.2979 -1.7973 -1.7973 -1.2123 -1.2123 4.8749 4.8749 4.8829 4.8829 4.9867 4.9867 5.1121 5.1121 5.2887 5.2887 5.9494 5.9494 6.1643 6.1643 6.2507 6.2507 6.2656 6.2656 6.4681 6.4681 6.5869 6.5869 8.0420 8.0420 8.0492 8.0492 8.5109 8.5109 8.8261 8.8261 9.1302 9.1302 10.7720 10.7720 11.3193 11.3193 11.7922 11.7922 12.2660 12.2660 12.4061 12.4061 k = 0.1556 0.0898-0.0000 ( 3949 PWs) bands (ev): -31.4149 -31.4149 -31.4090 -31.4090 -12.7219 -12.7219 -12.6850 -12.6850 -12.3708 -12.3708 -12.3152 -12.3152 -12.3015 -12.3015 -12.2994 -12.2994 -1.7688 -1.7688 -1.1981 -1.1981 4.8682 4.8682 4.8965 4.8965 4.9595 4.9595 5.1244 5.1244 5.2994 5.2994 5.9507 5.9507 6.1564 6.1564 6.2518 6.2518 6.2672 6.2672 6.4756 6.4756 6.5895 6.5895 7.9342 7.9342 8.0559 8.0559 8.3889 8.3889 8.7877 8.7877 9.0452 9.0452 10.7583 10.7583 11.3367 11.3367 11.7235 11.7235 12.3663 12.3663 12.4991 12.4991 k = 0.1667 0.0962-0.0000 ( 3944 PWs) bands (ev): -31.4147 -31.4147 -31.4088 -31.4088 -12.7223 -12.7223 -12.6862 -12.6862 -12.3712 -12.3712 -12.3173 -12.3173 -12.3017 -12.3017 -12.3009 -12.3009 -1.7386 -1.7386 -1.1830 -1.1830 4.8520 4.8520 4.9136 4.9136 4.9350 4.9350 5.1383 5.1383 5.3115 5.3115 5.9511 5.9511 6.1489 6.1489 6.2532 6.2532 6.2687 6.2687 6.4832 6.4832 6.5936 6.5936 7.8252 7.8252 8.0651 8.0651 8.2693 8.2693 8.7476 8.7476 8.9604 8.9604 10.7416 10.7416 11.3566 11.3566 11.6529 11.6529 12.4570 12.4570 12.5520 12.5520 k = 0.1778 0.1026-0.0000 ( 3940 PWs) bands (ev): -31.4145 -31.4145 -31.4087 -31.4087 -12.7227 -12.7227 -12.6874 -12.6874 -12.3716 -12.3716 -12.3195 -12.3195 -12.3026 -12.3026 -12.3016 -12.3016 -1.7068 -1.7068 -1.1671 -1.1671 4.8339 4.8339 4.8924 4.8924 4.9474 4.9474 5.1535 5.1535 5.3247 5.3247 5.9502 5.9502 6.1422 6.1422 6.2547 6.2547 6.2699 6.2699 6.4905 6.4905 6.5998 6.5998 7.7180 7.7180 8.0736 8.0736 8.1533 8.1533 8.7058 8.7058 8.8759 8.8759 10.7219 10.7219 11.3789 11.3789 11.5808 11.5808 12.5361 12.5361 12.5869 12.5869 k = 0.1889 0.1091-0.0000 ( 3942 PWs) bands (ev): -31.4143 -31.4143 -31.4085 -31.4085 -12.7231 -12.7231 -12.6887 -12.6887 -12.3721 -12.3721 -12.3218 -12.3218 -12.3043 -12.3043 -12.3018 -12.3018 -1.6733 -1.6733 -1.1504 -1.1504 4.8134 4.8134 4.8592 4.8592 4.9709 4.9709 5.1700 5.1700 5.3389 5.3389 5.9479 5.9479 6.1365 6.1365 6.2564 6.2564 6.2709 6.2709 6.4970 6.4970 6.6088 6.6088 7.6131 7.6131 8.0325 8.0325 8.0895 8.0895 8.6626 8.6626 8.7920 8.7920 10.6996 10.6996 11.4038 11.4038 11.5077 11.5077 12.6030 12.6030 12.6238 12.6238 k = 0.2000 0.1155-0.0000 ( 3938 PWs) bands (ev): -31.4141 -31.4141 -31.4082 -31.4082 -12.7236 -12.7236 -12.6900 -12.6900 -12.3725 -12.3725 -12.3242 -12.3242 -12.3059 -12.3059 -12.3018 -12.3018 -1.6385 -1.6385 -1.1331 -1.1331 4.7888 4.7888 4.8259 4.8259 4.9956 4.9956 5.1875 5.1875 5.3541 5.3541 5.9437 5.9437 6.1320 6.1320 6.2581 6.2581 6.2717 6.2717 6.5021 6.5021 6.6212 6.6212 7.5112 7.5112 7.9225 7.9225 8.0976 8.0976 8.6179 8.6179 8.7090 8.7090 10.6748 10.6748 11.4305 11.4305 11.4347 11.4347 12.6571 12.6571 12.6639 12.6639 k = 0.2111 0.1219-0.0000 ( 3936 PWs) bands (ev): -31.4138 -31.4138 -31.4080 -31.4080 -12.7241 -12.7241 -12.6913 -12.6913 -12.3731 -12.3731 -12.3265 -12.3265 -12.3076 -12.3076 -12.3019 -12.3019 -1.6022 -1.6022 -1.1151 -1.1151 4.7571 4.7571 4.7961 4.7961 5.0207 5.0207 5.2062 5.2062 5.3701 5.3701 5.9378 5.9378 6.1290 6.1290 6.2596 6.2596 6.2726 6.2726 6.5057 6.5057 6.6371 6.6371 7.4127 7.4127 7.8133 7.8133 8.1076 8.1076 8.5715 8.5715 8.6275 8.6275 10.6478 10.6478 11.3599 11.3599 11.4608 11.4608 12.6992 12.6992 12.7083 12.7083 k = 0.2222 0.1283-0.0000 ( 3940 PWs) bands (ev): -31.4136 -31.4136 -31.4078 -31.4078 -12.7247 -12.7247 -12.6927 -12.6927 -12.3736 -12.3736 -12.3289 -12.3289 -12.3093 -12.3093 -12.3020 -12.3020 -1.5648 -1.5648 -1.0966 -1.0966 4.7179 4.7179 4.7706 4.7706 5.0460 5.0460 5.2258 5.2258 5.3868 5.3868 5.9300 5.9300 6.1274 6.1274 6.2608 6.2608 6.2737 6.2737 6.5077 6.5077 6.6567 6.6567 7.3181 7.3181 7.7065 7.7065 8.1178 8.1178 8.5218 8.5218 8.5495 8.5495 10.6189 10.6189 11.2858 11.2858 11.4926 11.4926 12.7396 12.7396 12.7489 12.7489 k = 0.2333 0.1347-0.0000 ( 3940 PWs) bands (ev): -31.4134 -31.4134 -31.4076 -31.4076 -12.7252 -12.7252 -12.6942 -12.6942 -12.3741 -12.3741 -12.3314 -12.3314 -12.3110 -12.3110 -12.3021 -12.3021 -1.5262 -1.5262 -1.0776 -1.0776 4.6735 4.6735 4.7471 4.7471 5.0714 5.0714 5.2463 5.2463 5.4043 5.4043 5.9205 5.9205 6.1272 6.1272 6.2614 6.2614 6.2752 6.2752 6.5084 6.5084 6.6798 6.6798 7.2277 7.2277 7.6026 7.6026 8.1279 8.1279 8.4578 8.4578 8.4863 8.4863 10.5887 10.5887 11.2119 11.2119 11.5265 11.5265 12.7795 12.7795 12.7870 12.7870 k = 0.2444 0.1411-0.0000 ( 3948 PWs) bands (ev): -31.4131 -31.4131 -31.4074 -31.4074 -12.7258 -12.7258 -12.6957 -12.6957 -12.3747 -12.3747 -12.3338 -12.3338 -12.3126 -12.3126 -12.3022 -12.3022 -1.4866 -1.4866 -1.0582 -1.0582 4.6257 4.6257 4.7242 4.7242 5.0966 5.0966 5.2677 5.2677 5.4224 5.4224 5.9096 5.9096 6.1282 6.1282 6.2613 6.2613 6.2772 6.2772 6.5081 6.5081 6.7060 6.7060 7.1418 7.1418 7.5015 7.5015 8.1377 8.1377 8.3820 8.3820 8.4358 8.4358 10.5574 10.5574 11.1382 11.1382 11.5620 11.5620 12.8162 12.8162 12.8268 12.8268 k = 0.2556 0.1475-0.0000 ( 3940 PWs) bands (ev): -31.4129 -31.4129 -31.4072 -31.4072 -12.7263 -12.7263 -12.6972 -12.6972 -12.3753 -12.3753 -12.3363 -12.3363 -12.3142 -12.3142 -12.3023 -12.3023 -1.4463 -1.4463 -1.0384 -1.0384 4.5752 4.5752 4.7015 4.7015 5.1215 5.1215 5.2899 5.2899 5.4411 5.4411 5.8974 5.8974 6.1302 6.1302 6.2606 6.2606 6.2798 6.2798 6.5069 6.5069 6.7350 6.7350 7.0610 7.0610 7.4036 7.4036 8.1471 8.1471 8.3054 8.3054 8.3872 8.3872 10.5254 10.5254 11.0652 11.0652 11.5992 11.5992 12.8510 12.8510 12.8686 12.8686 k = 0.2667 0.1540-0.0000 ( 3948 PWs) bands (ev): -31.4127 -31.4127 -31.4070 -31.4070 -12.7270 -12.7270 -12.6987 -12.6987 -12.3759 -12.3759 -12.3387 -12.3387 -12.3157 -12.3157 -12.3024 -12.3024 -1.4053 -1.4053 -1.0184 -1.0184 4.5226 4.5226 4.6787 4.6787 5.1460 5.1460 5.3127 5.3127 5.4602 5.4602 5.8841 5.8841 6.1329 6.1329 6.2595 6.2595 6.2828 6.2828 6.5050 6.5050 6.7660 6.7660 6.9859 6.9859 7.3088 7.3088 8.1559 8.1559 8.2300 8.2300 8.3390 8.3390 10.4931 10.4931 10.9927 10.9927 11.6376 11.6376 12.8861 12.8861 12.9106 12.9106 k = 0.2778 0.1604-0.0000 ( 3942 PWs) bands (ev): -31.4124 -31.4124 -31.4067 -31.4067 -12.7276 -12.7276 -12.7001 -12.7001 -12.3765 -12.3765 -12.3410 -12.3410 -12.3172 -12.3172 -12.3024 -12.3024 -1.3638 -1.3638 -0.9982 -0.9982 4.4680 4.4680 4.6560 4.6560 5.1699 5.1699 5.3363 5.3363 5.4797 5.4797 5.8702 5.8702 6.1364 6.1364 6.2579 6.2579 6.2861 6.2861 6.5025 6.5025 6.7964 6.7964 6.9190 6.9190 7.2174 7.2174 8.1550 8.1550 8.1647 8.1647 8.2912 8.2912 10.4608 10.4608 10.9211 10.9211 11.6770 11.6770 12.9226 12.9226 12.9524 12.9524 k = 0.2889 0.1668-0.0000 ( 3950 PWs) bands (ev): -31.4122 -31.4122 -31.4065 -31.4065 -12.7282 -12.7282 -12.7017 -12.7017 -12.3772 -12.3772 -12.3434 -12.3434 -12.3187 -12.3187 -12.3025 -12.3025 -1.3220 -1.3220 -0.9779 -0.9779 4.4119 4.4119 4.6334 4.6334 5.1932 5.1932 5.3604 5.3604 5.4994 5.4994 5.8557 5.8557 6.1402 6.1402 6.2559 6.2559 6.2896 6.2896 6.4996 6.4996 6.8083 6.8083 6.8778 6.8778 7.1298 7.1298 8.0834 8.0834 8.1707 8.1707 8.2441 8.2441 10.4287 10.4287 10.8503 10.8503 11.7173 11.7173 12.9614 12.9614 12.9930 12.9930 k = 0.3000 0.1732-0.0000 ( 3948 PWs) bands (ev): -31.4120 -31.4120 -31.4063 -31.4063 -12.7289 -12.7289 -12.7032 -12.7032 -12.3778 -12.3778 -12.3456 -12.3456 -12.3200 -12.3200 -12.3026 -12.3026 -1.2801 -1.2801 -0.9576 -0.9576 4.3547 4.3547 4.6110 4.6110 5.2158 5.2158 5.3850 5.3850 5.5194 5.5194 5.8409 5.8409 6.1443 6.1443 6.2537 6.2537 6.2932 6.2932 6.4964 6.4964 6.7684 6.7684 6.8948 6.8948 7.0467 7.0467 8.0130 8.0130 8.1738 8.1738 8.2001 8.2001 10.3972 10.3972 10.7806 10.7806 11.7581 11.7581 13.0026 13.0026 13.0321 13.0321 k = 0.3111 0.1796-0.0000 ( 3948 PWs) bands (ev): -31.4118 -31.4118 -31.4061 -31.4061 -12.7295 -12.7295 -12.7046 -12.7046 -12.3784 -12.3784 -12.3478 -12.3478 -12.3213 -12.3213 -12.3026 -12.3026 -1.2383 -1.2383 -0.9374 -0.9374 4.2967 4.2967 4.5889 4.5889 5.2376 5.2376 5.4099 5.4099 5.5393 5.5393 5.8260 5.8260 6.1486 6.1486 6.2513 6.2513 6.2970 6.2970 6.4929 6.4929 6.7156 6.7156 6.9233 6.9233 6.9761 6.9761 7.9446 7.9446 8.1465 8.1465 8.1861 8.1861 10.3665 10.3665 10.7121 10.7121 11.7991 11.7991 13.0466 13.0466 13.0690 13.0690 k = 0.3222 0.1860-0.0000 ( 3946 PWs) bands (ev): -31.4115 -31.4115 -31.4059 -31.4059 -12.7301 -12.7301 -12.7061 -12.7061 -12.3791 -12.3791 -12.3499 -12.3499 -12.3226 -12.3226 -12.3027 -12.3027 -1.1970 -1.1970 -0.9174 -0.9174 4.2383 4.2383 4.5672 4.5672 5.2585 5.2585 5.4351 5.4351 5.5592 5.5592 5.8112 5.8112 6.1529 6.1529 6.2487 6.2487 6.3007 6.3007 6.4892 6.4892 6.6646 6.6646 6.8800 6.8800 6.9862 6.9862 7.8783 7.8783 8.1025 8.1025 8.1884 8.1884 10.3368 10.3368 10.6449 10.6449 11.8402 11.8402 13.0926 13.0926 13.1039 13.1039 k = 0.3333 0.1925-0.0000 ( 3946 PWs) bands (ev): -31.4113 -31.4113 -31.4057 -31.4057 -12.7307 -12.7307 -12.7075 -12.7075 -12.3797 -12.3797 -12.3520 -12.3520 -12.3237 -12.3237 -12.3027 -12.3027 -1.1562 -1.1562 -0.8977 -0.8977 4.1800 4.1800 4.5460 4.5460 5.2785 5.2785 5.4604 5.4604 5.5787 5.5787 5.7966 5.7966 6.1572 6.1572 6.2459 6.2459 6.3042 6.3042 6.4853 6.4853 6.6174 6.6174 6.8103 6.8103 7.0297 7.0297 7.8143 7.8143 8.0585 8.0585 8.1902 8.1902 10.3082 10.3082 10.5793 10.5793 11.8809 11.8809 13.1312 13.1312 13.1457 13.1457 k = 0.3444 0.1989-0.0000 ( 3946 PWs) bands (ev): -31.4111 -31.4111 -31.4055 -31.4055 -12.7314 -12.7314 -12.7088 -12.7088 -12.3804 -12.3804 -12.3539 -12.3539 -12.3248 -12.3248 -12.3027 -12.3027 -1.1163 -1.1163 -0.8784 -0.8784 4.1223 4.1223 4.5255 4.5255 5.2975 5.2975 5.4856 5.4856 5.5978 5.5978 5.7823 5.7823 6.1615 6.1615 6.2430 6.2430 6.3076 6.3076 6.4812 6.4812 6.5742 6.5742 6.7430 6.7430 7.0773 7.0773 7.7528 7.7528 8.0156 8.0156 8.1907 8.1907 10.2810 10.2810 10.5155 10.5155 11.9211 11.9211 13.1587 13.1587 13.1688 13.1688 k = 0.3556 0.2053-0.0000 ( 3950 PWs) bands (ev): -31.4109 -31.4109 -31.4053 -31.4053 -12.7320 -12.7320 -12.7101 -12.7101 -12.3810 -12.3810 -12.3558 -12.3558 -12.3258 -12.3258 -12.3028 -12.3028 -1.0776 -1.0776 -0.8596 -0.8596 4.0656 4.0656 4.5058 4.5058 5.3156 5.3156 5.5106 5.5106 5.6162 5.6162 5.7686 5.7686 6.1656 6.1656 6.2399 6.2399 6.3104 6.3104 6.4770 6.4770 6.5352 6.5352 6.6802 6.6802 7.1268 7.1268 7.6938 7.6938 7.9741 7.9741 8.1894 8.1894 10.2552 10.2552 10.4536 10.4536 11.9605 11.9605 13.1486 13.1486 13.1824 13.1824 k = 0.3667 0.2117-0.0000 ( 3948 PWs) bands (ev): -31.4107 -31.4107 -31.4052 -31.4052 -12.7325 -12.7325 -12.7114 -12.7114 -12.3816 -12.3816 -12.3575 -12.3575 -12.3267 -12.3267 -12.3028 -12.3028 -1.0404 -1.0404 -0.8413 -0.8413 4.0105 4.0105 4.4869 4.4869 5.3326 5.3326 5.5352 5.5352 5.6337 5.6337 5.7558 5.7558 6.1696 6.1696 6.2367 6.2367 6.3124 6.3124 6.4723 6.4723 6.5003 6.5003 6.6225 6.6225 7.1777 7.1777 7.6378 7.6378 7.9344 7.9344 8.1863 8.1863 10.2310 10.2310 10.3940 10.3940 11.9987 11.9987 13.1319 13.1319 13.2018 13.2018 k = 0.3778 0.2181-0.0000 ( 3944 PWs) bands (ev): -31.4106 -31.4106 -31.4050 -31.4050 -12.7331 -12.7331 -12.7125 -12.7125 -12.3822 -12.3822 -12.3591 -12.3591 -12.3275 -12.3275 -12.3028 -12.3028 -1.0050 -1.0050 -0.8237 -0.8237 3.9574 3.9574 4.4691 4.4691 5.3487 5.3487 5.5591 5.5591 5.6498 5.6498 5.7441 5.7441 6.1734 6.1734 6.2334 6.2334 6.3133 6.3133 6.4634 6.4634 6.4732 6.4732 6.5707 6.5707 7.2294 7.2294 7.5848 7.5848 7.8968 7.8968 8.1812 8.1812 10.2084 10.2084 10.3371 10.3371 12.0355 12.0355 13.1187 13.1187 13.2180 13.2180 k = 0.3889 0.2245-0.0000 ( 3932 PWs) bands (ev): -31.4104 -31.4104 -31.4049 -31.4049 -12.7336 -12.7336 -12.7136 -12.7136 -12.3827 -12.3827 -12.3606 -12.3606 -12.3282 -12.3282 -12.3028 -12.3028 -0.9716 -0.9716 -0.8068 -0.8068 3.9069 3.9069 4.4525 4.4525 5.3637 5.3637 5.5821 5.5821 5.6639 5.6639 5.7343 5.7343 6.1771 6.1771 6.2299 6.2299 6.3123 6.3123 6.4385 6.4385 6.4656 6.4656 6.5257 6.5257 7.2815 7.2815 7.5351 7.5351 7.8613 7.8613 8.1741 8.1741 10.1875 10.1875 10.2832 10.2832 12.0706 12.0706 13.1089 13.1089 13.2310 13.2310 k = 0.4000 0.2309-0.0000 ( 3940 PWs) bands (ev): -31.4103 -31.4103 -31.4047 -31.4047 -12.7341 -12.7341 -12.7147 -12.7147 -12.3832 -12.3832 -12.3620 -12.3620 -12.3289 -12.3289 -12.3028 -12.3028 -0.9407 -0.9407 -0.7907 -0.7907 3.8593 3.8593 4.4370 4.4370 5.3777 5.3777 5.6035 5.6035 5.6750 5.6750 5.7275 5.7275 6.1806 6.1806 6.2264 6.2264 6.3085 6.3085 6.4137 6.4137 6.4608 6.4608 6.4885 6.4885 7.3333 7.3333 7.4892 7.4892 7.8283 7.8283 8.1647 8.1647 10.1682 10.1682 10.2328 10.2328 12.1036 12.1036 13.1024 13.1024 13.2414 13.2414 k = 0.4111 0.2374-0.0000 ( 3942 PWs) bands (ev): -31.4101 -31.4101 -31.4046 -31.4046 -12.7345 -12.7345 -12.7156 -12.7156 -12.3837 -12.3837 -12.3632 -12.3632 -12.3295 -12.3295 -12.3029 -12.3029 -0.9125 -0.9125 -0.7755 -0.7755 3.8153 3.8153 4.4229 4.4229 5.3905 5.3905 5.6226 5.6226 5.6818 5.6818 5.7256 5.7256 6.1839 6.1839 6.2227 6.2227 6.3010 6.3010 6.3918 6.3918 6.4557 6.4557 6.4606 6.4606 7.3832 7.3832 7.4482 7.4482 7.7980 7.7980 8.1532 8.1532 10.1501 10.1501 10.1868 10.1868 12.1344 12.1344 13.0989 13.0989 13.2496 13.2496 k = 0.4222 0.2438-0.0000 ( 3946 PWs) bands (ev): -31.4100 -31.4100 -31.4045 -31.4045 -12.7350 -12.7350 -12.7164 -12.7164 -12.3842 -12.3842 -12.3644 -12.3644 -12.3300 -12.3300 -12.3029 -12.3029 -0.8874 -0.8874 -0.7613 -0.7613 3.7753 3.7753 4.4101 4.4101 5.4023 5.4023 5.6375 5.6375 5.6857 5.6857 5.7287 5.7287 6.1870 6.1870 6.2189 6.2189 6.2892 6.2892 6.3734 6.3734 6.4398 6.4398 6.4523 6.4523 7.4019 7.4019 7.4412 7.4412 7.7706 7.7706 8.1398 8.1398 10.1304 10.1304 10.1485 10.1485 12.1625 12.1625 13.0979 13.0979 13.2561 13.2561 k = 0.4333 0.2502-0.0000 ( 3944 PWs) bands (ev): -31.4099 -31.4099 -31.4044 -31.4044 -12.7353 -12.7353 -12.7171 -12.7171 -12.3846 -12.3846 -12.3653 -12.3653 -12.3305 -12.3305 -12.3029 -12.3029 -0.8654 -0.8654 -0.7483 -0.7483 3.7396 3.7396 4.3989 4.3989 5.4128 5.4128 5.6456 5.6456 5.6913 5.6913 5.7344 5.7344 6.1900 6.1900 6.2149 6.2149 6.2743 6.2743 6.3586 6.3586 6.4276 6.4276 6.4480 6.4480 7.3711 7.3711 7.4859 7.4859 7.7465 7.7465 8.1246 8.1246 10.1002 10.1002 10.1273 10.1273 12.1877 12.1877 13.0990 13.0990 13.2611 13.2611 k = 0.4444 0.2566-0.0000 ( 3942 PWs) bands (ev): -31.4098 -31.4098 -31.4043 -31.4043 -12.7356 -12.7356 -12.7178 -12.7178 -12.3849 -12.3849 -12.3661 -12.3661 -12.3309 -12.3309 -12.3029 -12.3029 -0.8469 -0.8469 -0.7367 -0.7367 3.7088 3.7088 4.3893 4.3893 5.4220 5.4220 5.6467 5.6467 5.7011 5.7011 5.7404 5.7404 6.1927 6.1927 6.2109 6.2109 6.2585 6.2585 6.3469 6.3469 6.4209 6.4209 6.4437 6.4437 7.3420 7.3420 7.5303 7.5303 7.7259 7.7259 8.1082 8.1082 10.0685 10.0685 10.1146 10.1146 12.2097 12.2097 13.1015 13.1015 13.2648 13.2648 k = 0.4556 0.2630-0.0000 ( 3946 PWs) bands (ev): -31.4098 -31.4098 -31.4042 -31.4042 -12.7359 -12.7359 -12.7183 -12.7183 -12.3852 -12.3852 -12.3668 -12.3668 -12.3312 -12.3312 -12.3029 -12.3029 -0.8318 -0.8318 -0.7266 -0.7266 3.6830 3.6830 4.3813 4.3813 5.4298 5.4298 5.6443 5.6443 5.7126 5.7126 5.7453 5.7453 6.1950 6.1950 6.2070 6.2070 6.2440 6.2440 6.3377 6.3377 6.4180 6.4180 6.4396 6.4396 7.3176 7.3176 7.5706 7.5706 7.7092 7.7092 8.0912 8.0912 10.0412 10.0412 10.1050 10.1050 12.2281 12.2281 13.1049 13.1049 13.2676 13.2676 k = 0.4667 0.2694-0.0000 ( 3950 PWs) bands (ev): -31.4097 -31.4097 -31.4042 -31.4042 -12.7361 -12.7361 -12.7187 -12.7187 -12.3854 -12.3854 -12.3673 -12.3673 -12.3314 -12.3314 -12.3029 -12.3029 -0.8202 -0.8202 -0.7184 -0.7184 3.6627 3.6627 4.3751 4.3751 5.4361 5.4361 5.6409 5.6409 5.7236 5.7236 5.7486 5.7486 6.1959 6.1959 6.2042 6.2042 6.2323 6.2323 6.3309 6.3309 6.4175 6.4175 6.4356 6.4356 7.2981 7.2981 7.6047 7.6047 7.6969 7.6969 8.0750 8.0750 10.0194 10.0194 10.0976 10.0976 12.2428 12.2428 13.1084 13.1084 13.2697 13.2697 k = 0.4778 0.2758-0.0000 ( 3954 PWs) bands (ev): -31.4097 -31.4097 -31.4042 -31.4042 -12.7363 -12.7363 -12.7190 -12.7190 -12.3856 -12.3856 -12.3677 -12.3677 -12.3316 -12.3316 -12.3029 -12.3029 -0.8119 -0.8119 -0.7122 -0.7122 3.6480 3.6480 4.3706 4.3706 5.4407 5.4407 5.6379 5.6379 5.7331 5.7331 5.7499 5.7499 6.1941 6.1941 6.2044 6.2044 6.2236 6.2236 6.3261 6.3261 6.4185 6.4185 6.4319 6.4319 7.2840 7.2840 7.6298 7.6298 7.6897 7.6897 8.0611 8.0611 10.0035 10.0035 10.0923 10.0923 12.2534 12.2534 13.1114 13.1114 13.2710 13.2710 k = 0.4889 0.2823-0.0000 ( 3954 PWs) bands (ev): -31.4096 -31.4096 -31.4041 -31.4041 -12.7364 -12.7364 -12.7192 -12.7192 -12.3857 -12.3857 -12.3680 -12.3680 -12.3317 -12.3317 -12.3029 -12.3029 -0.8070 -0.8070 -0.7085 -0.7085 3.6391 3.6391 4.3679 4.3679 5.4435 5.4435 5.6359 5.6359 5.7407 5.7407 5.7491 5.7491 6.1918 6.1918 6.2064 6.2064 6.2178 6.2178 6.3232 6.3232 6.4202 6.4202 6.4288 6.4288 7.2755 7.2755 7.6436 7.6436 7.6880 7.6880 8.0515 8.0515 9.9939 9.9939 10.0892 10.0892 12.2599 12.2599 13.1135 13.1135 13.2718 13.2718 k = 0.5000 0.2887-0.0000 ( 3954 PWs) bands (ev): -31.4096 -31.4096 -31.4041 -31.4041 -12.7364 -12.7364 -12.7193 -12.7193 -12.3857 -12.3857 -12.3680 -12.3680 -12.3317 -12.3317 -12.3029 -12.3029 -0.8054 -0.8054 -0.7072 -0.7072 3.6361 3.6361 4.3670 4.3670 5.4445 5.4445 5.6352 5.6352 5.7458 5.7458 5.7462 5.7462 6.1908 6.1908 6.2078 6.2078 6.2153 6.2153 6.3223 6.3223 6.4213 6.4213 6.4272 6.4272 7.2726 7.2726 7.6474 7.6474 7.6884 7.6884 8.0481 8.0481 9.9907 9.9907 10.0882 10.0882 12.2620 12.2620 13.1142 13.1142 13.2720 13.2720 k = 0.5000 0.2887-0.0000 ( 3954 PWs) bands (ev): -31.4096 -31.4096 -31.4041 -31.4041 -12.7364 -12.7364 -12.7193 -12.7193 -12.3857 -12.3857 -12.3680 -12.3680 -12.3317 -12.3317 -12.3029 -12.3029 -0.8054 -0.8054 -0.7072 -0.7072 3.6361 3.6361 4.3670 4.3670 5.4445 5.4445 5.6352 5.6352 5.7458 5.7458 5.7462 5.7462 6.1908 6.1908 6.2078 6.2078 6.2153 6.2153 6.3223 6.3223 6.4213 6.4213 6.4272 6.4272 7.2726 7.2726 7.6474 7.6474 7.6884 7.6884 8.0481 8.0481 9.9907 9.9907 10.0882 10.0882 12.2620 12.2620 13.1142 13.1142 13.2720 13.2720 k = 0.4936 0.2998-0.0000 ( 3954 PWs) bands (ev): -31.4096 -31.4096 -31.4041 -31.4041 -12.7364 -12.7364 -12.7193 -12.7193 -12.3857 -12.3857 -12.3681 -12.3681 -12.3318 -12.3318 -12.3030 -12.3030 -0.8049 -0.8049 -0.7069 -0.7069 3.6375 3.6375 4.3668 4.3668 5.4450 5.4450 5.6349 5.6349 5.7443 5.7443 5.7477 5.7477 6.1895 6.1895 6.2073 6.2073 6.2158 6.2158 6.3220 6.3220 6.4209 6.4209 6.4274 6.4274 7.2700 7.2700 7.6450 7.6450 7.6835 7.6835 8.0484 8.0484 9.9925 9.9925 10.0977 10.0977 12.2655 12.2655 13.0590 13.0590 13.3270 13.3270 k = 0.4872 0.3109-0.0000 ( 3950 PWs) bands (ev): -31.4096 -31.4096 -31.4041 -31.4041 -12.7364 -12.7364 -12.7193 -12.7193 -12.3856 -12.3856 -12.3681 -12.3681 -12.3319 -12.3319 -12.3031 -12.3031 -0.8033 -0.8033 -0.7061 -0.7061 3.6416 3.6416 4.3663 4.3663 5.4464 5.4464 5.6341 5.6341 5.7421 5.7421 5.7499 5.7499 6.1859 6.1859 6.2056 6.2056 6.2175 6.2175 6.3209 6.3209 6.4199 6.4199 6.4279 6.4279 7.2620 7.2620 7.6329 7.6329 7.6743 7.6743 8.0492 8.0492 9.9980 9.9980 10.1259 10.1259 12.2759 12.2759 12.9627 12.9627 13.4227 13.4227 k = 0.4808 0.3220-0.0000 ( 3946 PWs) bands (ev): -31.4096 -31.4096 -31.4041 -31.4041 -12.7364 -12.7364 -12.7193 -12.7193 -12.3854 -12.3854 -12.3681 -12.3681 -12.3322 -12.3322 -12.3032 -12.3032 -0.8008 -0.8008 -0.7048 -0.7048 3.6485 3.6485 4.3656 4.3656 5.4488 5.4488 5.6327 5.6327 5.7392 5.7392 5.7527 5.7527 6.1805 6.1805 6.2025 6.2025 6.2199 6.2199 6.3192 6.3192 6.4184 6.4184 6.4284 6.4284 7.2490 7.2490 7.6029 7.6029 7.6703 7.6703 8.0505 8.0505 10.0071 10.0071 10.1715 10.1715 12.2928 12.2928 12.8599 12.8599 13.5238 13.5238 k = 0.4744 0.3331-0.0000 ( 3946 PWs) bands (ev): -31.4096 -31.4096 -31.4041 -31.4041 -12.7364 -12.7364 -12.7193 -12.7193 -12.3852 -12.3852 -12.3681 -12.3681 -12.3327 -12.3327 -12.3035 -12.3035 -0.7972 -0.7972 -0.7030 -0.7030 3.6581 3.6581 4.3645 4.3645 5.4520 5.4520 5.6309 5.6309 5.7352 5.7352 5.7563 5.7563 6.1735 6.1735 6.1980 6.1980 6.2227 6.2227 6.3168 6.3168 6.4165 6.4165 6.4291 6.4291 7.2309 7.2309 7.5574 7.5574 7.6714 7.6714 8.0524 8.0524 10.0197 10.0197 10.2326 10.2326 12.3154 12.3154 12.7559 12.7559 13.6240 13.6241 k = 0.4679 0.3442-0.0000 ( 3942 PWs) bands (ev): -31.4096 -31.4096 -31.4041 -31.4041 -12.7364 -12.7364 -12.7193 -12.7193 -12.3850 -12.3850 -12.3682 -12.3682 -12.3332 -12.3332 -12.3038 -12.3038 -0.7927 -0.7927 -0.7007 -0.7007 3.6705 3.6705 4.3631 4.3631 5.4561 5.4561 5.6285 5.6285 5.7298 5.7298 5.7608 5.7608 6.1649 6.1649 6.1926 6.1926 6.2257 6.2257 6.3138 6.3138 6.4143 6.4143 6.4297 6.4297 7.2083 7.2083 7.5014 7.5014 7.6749 7.6749 8.0546 8.0546 10.0357 10.0357 10.3069 10.3069 12.3430 12.3430 12.6523 12.6523 13.7192 13.7194 k = 0.4615 0.3553-0.0000 ( 3938 PWs) bands (ev): -31.4095 -31.4095 -31.4040 -31.4040 -12.7364 -12.7364 -12.7194 -12.7194 -12.3846 -12.3846 -12.3682 -12.3682 -12.3338 -12.3338 -12.3041 -12.3041 -0.7873 -0.7873 -0.6979 -0.6979 3.6855 3.6855 4.3614 4.3614 5.4610 5.4610 5.6258 5.6258 5.7227 5.7227 5.7662 5.7662 6.1546 6.1546 6.1865 6.1865 6.2286 6.2286 6.3103 6.3103 6.4118 6.4118 6.4304 6.4304 7.1812 7.1812 7.4386 7.4386 7.6799 7.6799 8.0572 8.0572 10.0551 10.0551 10.3922 10.3922 12.3743 12.3743 12.5497 12.5497 13.7639 13.7639 k = 0.4551 0.3664-0.0000 ( 3940 PWs) bands (ev): -31.4095 -31.4095 -31.4040 -31.4040 -12.7364 -12.7364 -12.7194 -12.7194 -12.3843 -12.3843 -12.3683 -12.3683 -12.3346 -12.3346 -12.3046 -12.3046 -0.7811 -0.7811 -0.6947 -0.6947 3.7031 3.7031 4.3592 4.3592 5.4667 5.4667 5.6226 5.6226 5.7136 5.7136 5.7724 5.7724 6.1425 6.1425 6.1798 6.1798 6.2313 6.2313 6.3062 6.3062 6.4091 6.4091 6.4311 6.4311 7.1500 7.1500 7.3718 7.3718 7.6862 7.6862 8.0602 8.0602 10.0778 10.0778 10.4864 10.4864 12.4079 12.4079 12.4483 12.4483 13.7773 13.7774 k = 0.4487 0.3775-0.0000 ( 3940 PWs) bands (ev): -31.4095 -31.4095 -31.4040 -31.4040 -12.7364 -12.7364 -12.7195 -12.7195 -12.3838 -12.3838 -12.3684 -12.3684 -12.3354 -12.3354 -12.3051 -12.3051 -0.7740 -0.7740 -0.6911 -0.6911 3.7233 3.7233 4.3567 4.3567 5.4730 5.4730 5.6191 5.6191 5.7021 5.7021 5.7796 5.7796 6.1287 6.1287 6.1727 6.1727 6.2338 6.2338 6.3016 6.3016 6.4062 6.4062 6.4317 6.4317 7.1148 7.1148 7.3039 7.3039 7.6937 7.6937 8.0633 8.0633 10.1038 10.1038 10.5873 10.5873 12.3484 12.3484 12.4422 12.4422 13.7721 13.7947 k = 0.4423 0.3886-0.0000 ( 3944 PWs) bands (ev): -31.4094 -31.4094 -31.4039 -31.4039 -12.7365 -12.7365 -12.7196 -12.7196 -12.3834 -12.3834 -12.3686 -12.3686 -12.3363 -12.3363 -12.3056 -12.3056 -0.7661 -0.7661 -0.6872 -0.6872 3.7460 3.7460 4.3538 4.3538 5.4798 5.4798 5.6152 5.6152 5.6877 5.6877 5.7876 5.7876 6.1135 6.1135 6.1653 6.1653 6.2358 6.2358 6.2968 6.2968 6.4031 6.4031 6.4322 6.4322 7.0757 7.0757 7.2373 7.2373 7.7023 7.7023 8.0666 8.0666 10.1328 10.1328 10.6935 10.6935 12.2503 12.2503 12.4756 12.4756 13.7465 13.7466 k = 0.4359 0.3997-0.0000 ( 3948 PWs) bands (ev): -31.4094 -31.4094 -31.4039 -31.4039 -12.7365 -12.7365 -12.7196 -12.7196 -12.3829 -12.3829 -12.3687 -12.3687 -12.3374 -12.3374 -12.3061 -12.3061 -0.7576 -0.7576 -0.6830 -0.6830 3.7711 3.7711 4.3505 4.3505 5.4870 5.4870 5.6107 5.6107 5.6701 5.6701 5.7963 5.7963 6.0973 6.0973 6.1577 6.1577 6.2372 6.2372 6.2918 6.2918 6.4001 6.4001 6.4327 6.4327 7.0327 7.0327 7.1744 7.1744 7.7120 7.7120 8.0699 8.0699 10.1648 10.1648 10.8035 10.8035 12.1540 12.1540 12.5061 12.5061 13.7387 13.7390 k = 0.4295 0.4108-0.0000 ( 3954 PWs) bands (ev): -31.4093 -31.4093 -31.4038 -31.4038 -12.7366 -12.7366 -12.7197 -12.7197 -12.3823 -12.3823 -12.3689 -12.3689 -12.3385 -12.3385 -12.3067 -12.3067 -0.7485 -0.7485 -0.6785 -0.6785 3.7986 3.7986 4.3467 4.3467 5.4944 5.4944 5.6051 5.6051 5.6493 5.6493 5.8058 5.8058 6.0807 6.0807 6.1499 6.1499 6.2376 6.2376 6.2869 6.2869 6.3971 6.3971 6.4331 6.4331 6.9862 6.9862 7.1167 7.1167 7.7227 7.7227 8.0730 8.0730 10.1996 10.1996 10.9159 10.9159 12.0596 12.0596 12.5323 12.5323 13.7183 13.7185 k = 0.4231 0.4219-0.0000 ( 3956 PWs) bands (ev): -31.4093 -31.4093 -31.4038 -31.4038 -12.7366 -12.7366 -12.7198 -12.7198 -12.3817 -12.3817 -12.3691 -12.3691 -12.3396 -12.3396 -12.3072 -12.3072 -0.7389 -0.7389 -0.6738 -0.6738 3.8282 3.8282 4.3424 4.3424 5.5018 5.5018 5.5952 5.5952 5.6280 5.6280 5.8160 5.8160 6.0646 6.0646 6.1419 6.1419 6.2369 6.2369 6.2825 6.2825 6.3943 6.3943 6.4333 6.4333 6.9374 6.9374 7.0649 7.0649 7.7345 7.7345 8.0759 8.0759 10.2371 10.2371 11.0300 11.0300 11.9673 11.9673 12.5528 12.5528 13.6716 13.6717 k = 0.4167 0.4330-0.0000 ( 3964 PWs) bands (ev): -31.4092 -31.4092 -31.4038 -31.4038 -12.7367 -12.7367 -12.7200 -12.7200 -12.3811 -12.3811 -12.3693 -12.3693 -12.3408 -12.3408 -12.3078 -12.3078 -0.7289 -0.7289 -0.6689 -0.6689 3.8598 3.8598 4.3378 4.3378 5.5085 5.5085 5.5738 5.5738 5.6138 5.6138 5.8267 5.8267 6.0494 6.0494 6.1338 6.1338 6.2345 6.2345 6.2789 6.2789 6.3916 6.3916 6.4334 6.4334 6.8882 6.8882 7.0184 7.0184 7.7472 7.7472 8.0784 8.0784 10.2771 10.2771 11.1446 11.1446 11.8770 11.8770 12.5667 12.5667 13.6213 13.6213 k = 0.4103 0.4441-0.0000 ( 3970 PWs) bands (ev): -31.4092 -31.4092 -31.4037 -31.4037 -12.7368 -12.7368 -12.7201 -12.7201 -12.3804 -12.3804 -12.3695 -12.3695 -12.3421 -12.3421 -12.3084 -12.3084 -0.7187 -0.7187 -0.6640 -0.6640 3.8933 3.8933 4.3326 4.3326 5.5108 5.5108 5.5438 5.5438 5.6071 5.6071 5.8380 5.8380 6.0359 6.0359 6.1257 6.1257 6.2304 6.2304 6.2762 6.2762 6.3891 6.3891 6.4332 6.4332 6.8403 6.8403 6.9764 6.9764 7.7609 7.7609 8.0804 8.0804 10.3194 10.3194 11.2593 11.2593 11.7890 11.7890 12.5737 12.5737 13.5683 13.5683 k = 0.4038 0.4552-0.0000 ( 3966 PWs) bands (ev): -31.4091 -31.4091 -31.4037 -31.4037 -12.7368 -12.7368 -12.7201 -12.7201 -12.3798 -12.3798 -12.3697 -12.3697 -12.3433 -12.3433 -12.3089 -12.3089 -0.7083 -0.7083 -0.6591 -0.6591 3.9284 3.9284 4.3271 4.3271 5.4868 5.4868 5.5322 5.5322 5.6033 5.6033 5.8496 5.8496 6.0245 6.0245 6.1176 6.1176 6.2249 6.2249 6.2744 6.2744 6.3868 6.3868 6.4328 6.4328 6.7953 6.7953 6.9381 6.9381 7.7757 7.7757 8.0816 8.0816 10.3638 10.3638 11.3733 11.3733 11.7032 11.7032 12.5741 12.5741 13.5130 13.5130 k = 0.3974 0.4663-0.0000 ( 3966 PWs) bands (ev): -31.4091 -31.4091 -31.4036 -31.4036 -12.7369 -12.7369 -12.7203 -12.7203 -12.3791 -12.3791 -12.3700 -12.3700 -12.3445 -12.3445 -12.3094 -12.3094 -0.6979 -0.6979 -0.6543 -0.6543 3.9649 3.9649 4.3212 4.3212 5.4416 5.4416 5.5359 5.5359 5.6009 5.6009 5.8613 5.8613 6.0155 6.0155 6.1095 6.1095 6.2183 6.2183 6.2733 6.2733 6.3848 6.3848 6.4322 6.4322 6.7540 6.7540 6.9031 6.9031 7.7913 7.7913 8.0819 8.0819 10.4101 10.4101 11.4861 11.4861 11.6198 11.6198 12.5682 12.5682 13.4558 13.4558 k = 0.3910 0.4774-0.0000 ( 3966 PWs) bands (ev): -31.4090 -31.4090 -31.4036 -31.4036 -12.7369 -12.7369 -12.7204 -12.7204 -12.3784 -12.3784 -12.3702 -12.3702 -12.3458 -12.3458 -12.3098 -12.3098 -0.6876 -0.6876 -0.6496 -0.6496 4.0023 4.0023 4.3149 4.3149 5.3905 5.3905 5.5409 5.5409 5.5997 5.5997 5.8729 5.8729 6.0090 6.0090 6.1016 6.1016 6.2110 6.2110 6.2723 6.2723 6.3830 6.3830 6.4312 6.4312 6.7168 6.7168 6.8712 6.8712 7.8078 7.8078 8.0811 8.0811 10.4581 10.4581 11.5382 11.5382 11.5978 11.5978 12.5571 12.5571 13.3972 13.3972 k = 0.3846 0.4885-0.0000 ( 3968 PWs) bands (ev): -31.4090 -31.4090 -31.4035 -31.4035 -12.7370 -12.7370 -12.7205 -12.7205 -12.3777 -12.3777 -12.3704 -12.3704 -12.3469 -12.3469 -12.3103 -12.3103 -0.6775 -0.6775 -0.6452 -0.6452 4.0403 4.0403 4.3083 4.3083 5.3368 5.3368 5.5452 5.5452 5.5995 5.5995 5.8841 5.8841 6.0050 6.0050 6.0940 6.0940 6.2035 6.2035 6.2714 6.2714 6.3814 6.3814 6.4299 6.4299 6.6839 6.6839 6.8423 6.8423 7.8251 7.8251 8.0790 8.0790 10.5075 10.5075 11.4599 11.4599 11.7064 11.7064 12.5417 12.5417 13.3376 13.3376 k = 0.3782 0.4996-0.0000 ( 3966 PWs) bands (ev): -31.4090 -31.4090 -31.4035 -31.4035 -12.7370 -12.7370 -12.7206 -12.7206 -12.3771 -12.3771 -12.3707 -12.3707 -12.3480 -12.3480 -12.3107 -12.3107 -0.6680 -0.6680 -0.6410 -0.6410 4.0782 4.0782 4.3016 4.3016 5.2825 5.2825 5.5486 5.5486 5.6003 5.6003 5.8944 5.8944 6.0036 6.0036 6.0867 6.0867 6.1960 6.1960 6.2704 6.2704 6.3801 6.3801 6.4282 6.4282 6.6552 6.6552 6.8167 6.8167 7.8432 7.8432 8.0754 8.0754 10.5582 10.5582 11.3839 11.3839 11.8124 11.8124 12.5228 12.5228 13.2778 13.2778 k = 0.3718 0.5107-0.0000 ( 3966 PWs) bands (ev): -31.4089 -31.4089 -31.4034 -31.4034 -12.7371 -12.7371 -12.7208 -12.7208 -12.3764 -12.3764 -12.3709 -12.3709 -12.3490 -12.3490 -12.3110 -12.3110 -0.6590 -0.6590 -0.6373 -0.6373 4.1153 4.1153 4.2947 4.2947 5.2292 5.2292 5.5510 5.5510 5.6018 5.6018 5.9034 5.9034 6.0045 6.0045 6.0799 6.0799 6.1890 6.1890 6.2691 6.2691 6.3790 6.3790 6.4262 6.4262 6.6306 6.6306 6.7941 6.7941 7.8619 7.8619 8.0701 8.0701 10.6098 10.6098 11.3105 11.3105 11.9150 11.9150 12.5014 12.5014 13.2185 13.2185 k = 0.3654 0.5218-0.0000 ( 3970 PWs) bands (ev): -31.4089 -31.4089 -31.4034 -31.4034 -12.7371 -12.7371 -12.7209 -12.7209 -12.3759 -12.3759 -12.3711 -12.3711 -12.3499 -12.3499 -12.3113 -12.3113 -0.6508 -0.6508 -0.6340 -0.6340 4.1507 4.1507 4.2879 4.2879 5.1791 5.1791 5.5527 5.5527 5.6037 5.6037 5.9109 5.9109 6.0074 6.0074 6.0736 6.0736 6.1826 6.1826 6.2676 6.2676 6.3782 6.3782 6.4240 6.4240 6.6101 6.6101 6.7749 6.7749 7.8813 7.8813 8.0629 8.0629 10.6623 10.6623 11.2399 11.2399 12.0130 12.0130 12.4783 12.4783 13.1608 13.1608 k = 0.3590 0.5329-0.0000 ( 3974 PWs) bands (ev): -31.4089 -31.4089 -31.4034 -31.4034 -12.7372 -12.7372 -12.7210 -12.7210 -12.3754 -12.3754 -12.3713 -12.3713 -12.3508 -12.3508 -12.3115 -12.3115 -0.6436 -0.6436 -0.6312 -0.6312 4.1831 4.1831 4.2813 4.2813 5.1340 5.1340 5.5537 5.5537 5.6056 5.6056 5.9169 5.9169 6.0120 6.0120 6.0679 6.0679 6.1770 6.1770 6.2659 6.2659 6.3775 6.3775 6.4216 6.4216 6.5936 6.5936 6.7589 6.7589 7.9010 7.9010 8.0537 8.0537 10.7153 10.7153 11.1720 11.1720 12.1051 12.1051 12.4541 12.4541 13.1063 13.1063 k = 0.3526 0.5440-0.0000 ( 3966 PWs) bands (ev): -31.4088 -31.4088 -31.4034 -31.4034 -12.7373 -12.7373 -12.7210 -12.7210 -12.3750 -12.3750 -12.3714 -12.3714 -12.3514 -12.3514 -12.3117 -12.3117 -0.6375 -0.6375 -0.6291 -0.6291 4.2113 4.2113 4.2750 4.2750 5.0960 5.0960 5.5544 5.5544 5.6073 5.6073 5.9212 5.9212 6.0173 6.0173 6.0630 6.0630 6.1725 6.1725 6.2643 6.2643 6.3770 6.3770 6.4194 6.4194 6.5810 6.5810 6.7464 6.7464 7.9210 7.9210 8.0424 8.0424 10.7687 10.7687 11.1070 11.1070 12.1890 12.1890 12.4293 12.4293 13.0570 13.0570 k = 0.3462 0.5551-0.0000 ( 3962 PWs) bands (ev): -31.4088 -31.4088 -31.4034 -31.4034 -12.7373 -12.7373 -12.7211 -12.7211 -12.3747 -12.3747 -12.3715 -12.3715 -12.3519 -12.3519 -12.3118 -12.3118 -0.6328 -0.6328 -0.6276 -0.6276 4.2337 4.2337 4.2693 4.2693 5.0670 5.0670 5.5549 5.5549 5.6086 5.6086 5.9242 5.9242 6.0226 6.0226 6.0589 6.0589 6.1692 6.1692 6.2629 6.2629 6.3767 6.3767 6.4175 6.4175 6.5721 6.5721 6.7374 6.7374 7.9408 7.9408 8.0292 8.0292 10.8224 10.8224 11.0450 11.0450 12.2615 12.2615 12.4044 12.4044 13.0162 13.0162 k = 0.3397 0.5662-0.0000 ( 3966 PWs) bands (ev): -31.4088 -31.4088 -31.4033 -31.4033 -12.7373 -12.7373 -12.7211 -12.7211 -12.3745 -12.3745 -12.3716 -12.3716 -12.3522 -12.3522 -12.3119 -12.3119 -0.6298 -0.6298 -0.6267 -0.6267 4.2484 4.2484 4.2650 4.2650 5.0490 5.0490 5.5553 5.5553 5.6093 5.6093 5.9258 5.9258 6.0265 6.0265 6.0560 6.0560 6.1670 6.1670 6.2619 6.2619 6.3765 6.3765 6.4162 6.4162 6.5668 6.5668 6.7318 6.7318 7.9590 7.9590 8.0150 8.0150 10.8763 10.8763 10.9861 10.9861 12.3176 12.3176 12.3803 12.3803 12.9883 12.9883 k = 0.3333 0.5774-0.0000 ( 3966 PWs) bands (ev): -31.4088 -31.4088 -31.4033 -31.4033 -12.7373 -12.7373 -12.7211 -12.7211 -12.3745 -12.3745 -12.3717 -12.3717 -12.3523 -12.3523 -12.3119 -12.3119 -0.6288 -0.6288 -0.6264 -0.6264 4.2532 4.2532 4.2637 4.2637 5.0428 5.0428 5.5554 5.5554 5.6095 5.6095 5.9263 5.9263 6.0281 6.0281 6.0549 6.0549 6.1663 6.1663 6.2615 6.2615 6.3765 6.3765 6.4158 6.4158 6.5650 6.5650 6.7299 6.7299 7.9688 7.9688 8.0066 8.0066 10.9290 10.9290 10.9317 10.9317 12.3460 12.3460 12.3633 12.3633 12.9781 12.9781 k = 0.3333 0.5774-0.0000 ( 3966 PWs) bands (ev): -31.4088 -31.4088 -31.4033 -31.4033 -12.7373 -12.7373 -12.7211 -12.7211 -12.3745 -12.3745 -12.3717 -12.3717 -12.3523 -12.3523 -12.3119 -12.3119 -0.6288 -0.6288 -0.6264 -0.6264 4.2532 4.2532 4.2637 4.2637 5.0428 5.0428 5.5554 5.5554 5.6095 5.6095 5.9263 5.9263 6.0281 6.0281 6.0549 6.0549 6.1663 6.1663 6.2615 6.2615 6.3765 6.3765 6.4158 6.4158 6.5650 6.5650 6.7299 6.7299 7.9688 7.9688 8.0066 8.0066 10.9290 10.9290 10.9317 10.9317 12.3460 12.3460 12.3633 12.3633 12.9781 12.9781 k = 0.3269 0.5662-0.0000 ( 3966 PWs) bands (ev): -31.4088 -31.4088 -31.4033 -31.4033 -12.7373 -12.7373 -12.7211 -12.7211 -12.3745 -12.3745 -12.3716 -12.3716 -12.3522 -12.3522 -12.3119 -12.3119 -0.6296 -0.6296 -0.6270 -0.6270 4.2512 4.2512 4.2624 4.2624 5.0488 5.0488 5.5552 5.5552 5.6094 5.6094 5.9258 5.9258 6.0265 6.0265 6.0560 6.0560 6.1671 6.1671 6.2619 6.2619 6.3765 6.3765 6.4162 6.4162 6.5668 6.5668 6.7319 6.7319 7.9579 7.9579 8.0161 8.0161 10.8779 10.8779 10.9845 10.9845 12.3291 12.3291 12.3684 12.3684 12.9886 12.9886 k = 0.3205 0.5551-0.0000 ( 3958 PWs) bands (ev): -31.4088 -31.4088 -31.4034 -31.4034 -12.7373 -12.7373 -12.7210 -12.7210 -12.3747 -12.3747 -12.3715 -12.3715 -12.3519 -12.3519 -12.3118 -12.3118 -0.6318 -0.6318 -0.6292 -0.6292 4.2473 4.2473 4.2575 4.2575 5.0661 5.0661 5.5544 5.5544 5.6092 5.6092 5.9241 5.9241 6.0225 6.0225 6.0587 6.0587 6.1694 6.1694 6.2629 6.2629 6.3766 6.3766 6.4177 6.4177 6.5721 6.5721 6.7378 6.7378 7.9352 7.9352 8.0342 8.0342 10.8289 10.8289 11.0390 11.0390 12.3069 12.3069 12.3567 12.3567 13.0179 13.0179 k = 0.3141 0.5440-0.0000 ( 3974 PWs) bands (ev): -31.4088 -31.4088 -31.4034 -31.4034 -12.7373 -12.7373 -12.7210 -12.7210 -12.3749 -12.3749 -12.3714 -12.3714 -12.3515 -12.3515 -12.3117 -12.3117 -0.6355 -0.6355 -0.6331 -0.6331 4.2394 4.2394 4.2527 4.2527 5.0930 5.0930 5.5526 5.5526 5.6093 5.6093 5.9209 5.9209 6.0171 6.0171 6.0622 6.0622 6.1734 6.1734 6.2644 6.2644 6.3766 6.3766 6.4199 6.4199 6.5809 6.5809 6.7476 6.7476 7.9075 7.9075 8.0540 8.0540 10.7834 10.7834 11.0938 11.0938 12.2851 12.2851 12.3276 12.3276 13.0602 13.0602 k = 0.3077 0.5329-0.0000 ( 3974 PWs) bands (ev): -31.4089 -31.4089 -31.4034 -31.4034 -12.7372 -12.7372 -12.7209 -12.7209 -12.3753 -12.3753 -12.3712 -12.3712 -12.3509 -12.3509 -12.3116 -12.3116 -0.6415 -0.6415 -0.6381 -0.6381 4.2262 4.2262 4.2513 4.2513 5.1275 5.1275 5.5495 5.5495 5.6103 5.6103 5.9161 5.9161 6.0117 6.0117 6.0663 6.0663 6.1791 6.1791 6.2661 6.2661 6.3765 6.3765 6.4228 6.4228 6.5933 6.5933 6.7618 6.7618 7.8763 7.8763 8.0739 8.0739 10.7416 10.7416 11.1491 11.1491 12.2635 12.2635 12.2871 12.2871 13.1089 13.1089 k = 0.3013 0.5218-0.0000 ( 3974 PWs) bands (ev): -31.4089 -31.4089 -31.4035 -31.4035 -12.7371 -12.7371 -12.7207 -12.7207 -12.3756 -12.3756 -12.3708 -12.3708 -12.3501 -12.3501 -12.3114 -12.3114 -0.6503 -0.6503 -0.6437 -0.6437 4.2108 4.2108 4.2522 4.2522 5.1674 5.1674 5.5449 5.5449 5.6123 5.6123 5.9089 5.9089 6.0077 6.0077 6.0706 6.0706 6.1868 6.1868 6.2679 6.2679 6.3762 6.3762 6.4260 6.4260 6.6093 6.6093 6.7804 6.7804 7.8420 7.8420 8.0936 8.0936 10.7037 10.7037 11.2052 11.2052 12.2317 12.2317 12.2501 12.2501 13.1579 13.1579 k = 0.2949 0.5107-0.0000 ( 3974 PWs) bands (ev): -31.4090 -31.4090 -31.4035 -31.4035 -12.7370 -12.7370 -12.7204 -12.7204 -12.3760 -12.3760 -12.3704 -12.3704 -12.3493 -12.3493 -12.3112 -12.3112 -0.6617 -0.6617 -0.6504 -0.6504 4.1951 4.1951 4.2549 4.2549 5.2105 5.2105 5.5387 5.5387 5.6157 5.6157 5.8991 5.8991 6.0063 6.0063 6.0752 6.0752 6.1965 6.1965 6.2697 6.2697 6.3759 6.3759 6.4294 6.4294 6.6289 6.6289 6.8034 6.8034 7.8047 7.8047 8.1127 8.1127 10.6698 10.6698 11.2623 11.2623 12.1795 12.1795 12.2300 12.2300 13.2021 13.2021 k = 0.2885 0.4996-0.0000 ( 3962 PWs) bands (ev): -31.4090 -31.4090 -31.4035 -31.4035 -12.7368 -12.7368 -12.7201 -12.7201 -12.3764 -12.3764 -12.3699 -12.3699 -12.3482 -12.3482 -12.3109 -12.3109 -0.6757 -0.6757 -0.6581 -0.6581 4.1808 4.1808 4.2595 4.2595 5.2550 5.2550 5.5309 5.5309 5.6202 5.6202 5.8865 5.8865 6.0088 6.0088 6.0798 6.0798 6.2084 6.2084 6.2714 6.2714 6.3755 6.3755 6.4329 6.4329 6.6519 6.6519 6.8309 6.8309 7.7648 7.7648 8.1309 8.1309 10.6400 10.6400 11.3205 11.3205 12.1225 12.1225 12.2132 12.2132 13.2370 13.2370 k = 0.2821 0.4885-0.0000 ( 3956 PWs) bands (ev): -31.4091 -31.4091 -31.4036 -31.4036 -12.7366 -12.7366 -12.7197 -12.7197 -12.3767 -12.3767 -12.3693 -12.3693 -12.3472 -12.3472 -12.3106 -12.3106 -0.6922 -0.6922 -0.6670 -0.6670 4.1686 4.1686 4.2658 4.2658 5.2988 5.2988 5.5217 5.5217 5.6260 5.6260 5.8713 5.8713 6.0159 6.0159 6.0844 6.0844 6.2223 6.2223 6.2731 6.2731 6.3751 6.3751 6.4364 6.4364 6.6781 6.6781 6.8628 6.8628 7.7224 7.7224 8.1482 8.1482 10.6144 10.6144 11.3802 11.3802 12.0635 12.0635 12.1982 12.1982 13.2589 13.2589 k = 0.2756 0.4774-0.0000 ( 3948 PWs) bands (ev): -31.4092 -31.4092 -31.4037 -31.4037 -12.7363 -12.7363 -12.7192 -12.7192 -12.3771 -12.3771 -12.3685 -12.3685 -12.3461 -12.3461 -12.3103 -12.3103 -0.7114 -0.7114 -0.6770 -0.6770 4.1593 4.1593 4.2739 4.2739 5.3400 5.3400 5.5112 5.5112 5.6329 5.6329 5.8541 5.8541 6.0283 6.0283 6.0891 6.0891 6.2381 6.2381 6.2750 6.2750 6.3749 6.3749 6.4399 6.4399 6.7077 6.7077 6.8990 6.8990 7.6777 7.6777 8.1642 8.1642 10.5932 10.5932 11.4414 11.4414 12.0036 12.0036 12.1848 12.1848 13.2651 13.2651 k = 0.2692 0.4663-0.0000 ( 3948 PWs) bands (ev): -31.4093 -31.4093 -31.4038 -31.4038 -12.7361 -12.7361 -12.7187 -12.7187 -12.3774 -12.3774 -12.3677 -12.3677 -12.3449 -12.3449 -12.3100 -12.3100 -0.7331 -0.7331 -0.6882 -0.6882 4.1534 4.1534 4.2838 4.2838 5.3771 5.3771 5.4996 5.4996 5.6409 5.6409 5.8352 5.8352 6.0466 6.0466 6.0936 6.0936 6.2545 6.2545 6.2784 6.2784 6.3751 6.3751 6.4434 6.4434 6.7405 6.7405 6.9391 6.9391 7.6311 7.6311 8.1788 8.1788 10.5765 10.5765 11.5044 11.5044 11.9434 11.9434 12.1729 12.1729 13.2550 13.2550 k = 0.2628 0.4552-0.0000 ( 3956 PWs) bands (ev): -31.4094 -31.4094 -31.4039 -31.4039 -12.7358 -12.7358 -12.7181 -12.7181 -12.3776 -12.3776 -12.3669 -12.3669 -12.3436 -12.3436 -12.3097 -12.3097 -0.7573 -0.7573 -0.7004 -0.7004 4.1511 4.1511 4.2956 4.2956 5.4085 5.4085 5.4870 5.4870 5.6497 5.6497 5.8153 5.8153 6.0708 6.0708 6.0980 6.0980 6.2664 6.2664 6.2883 6.2883 6.3762 6.3762 6.4471 6.4471 6.7767 6.7767 6.9830 6.9830 7.5828 7.5828 8.1920 8.1920 10.5644 10.5644 11.5691 11.5691 11.8834 11.8834 12.1625 12.1625 13.2296 13.2296 k = 0.2564 0.4441-0.0000 ( 3962 PWs) bands (ev): -31.4095 -31.4095 -31.4040 -31.4040 -12.7355 -12.7355 -12.7175 -12.7175 -12.3779 -12.3779 -12.3659 -12.3659 -12.3423 -12.3423 -12.3093 -12.3093 -0.7839 -0.7839 -0.7137 -0.7137 4.1528 4.1528 4.3091 4.3091 5.4331 5.4331 5.4737 5.4737 5.6593 5.6593 5.7946 5.7946 6.0994 6.0994 6.1038 6.1038 6.2706 6.2706 6.3076 6.3076 6.3792 6.3792 6.4509 6.4509 6.8163 6.8163 7.0305 7.0305 7.5331 7.5331 8.2036 8.2036 10.5571 10.5571 11.6358 11.6358 11.8239 11.8239 12.1536 12.1536 13.1916 13.1916 k = 0.2500 0.4330-0.0000 ( 3954 PWs) bands (ev): -31.4096 -31.4096 -31.4041 -31.4041 -12.7351 -12.7351 -12.7168 -12.7168 -12.3780 -12.3780 -12.3648 -12.3648 -12.3409 -12.3409 -12.3090 -12.3090 -0.8127 -0.8127 -0.7281 -0.7281 4.1584 4.1584 4.3243 4.3243 5.4490 5.4490 5.4614 5.4614 5.6695 5.6695 5.7738 5.7738 6.1058 6.1058 6.1361 6.1361 6.2722 6.2722 6.3301 6.3301 6.3864 6.3864 6.4553 6.4553 6.8597 6.8597 7.0814 7.0814 7.4824 7.4824 8.2135 8.2135 10.5545 10.5545 11.7045 11.7045 11.7652 11.7652 12.1462 12.1462 13.1436 13.1436 k = 0.2436 0.4219-0.0000 ( 3952 PWs) bands (ev): -31.4098 -31.4098 -31.4043 -31.4043 -12.7347 -12.7347 -12.7159 -12.7159 -12.3782 -12.3782 -12.3636 -12.3636 -12.3396 -12.3396 -12.3086 -12.3086 -0.8438 -0.8438 -0.7434 -0.7434 4.1679 4.1679 4.3412 4.3412 5.4418 5.4418 5.4648 5.4648 5.6796 5.6796 5.7534 5.7534 6.1095 6.1095 6.1734 6.1734 6.2729 6.2729 6.3514 6.3514 6.4013 6.4013 6.4606 6.4606 6.9068 6.9068 7.1353 7.1353 7.4309 7.4309 8.2216 8.2216 10.5567 10.5567 11.7074 11.7074 11.7750 11.7750 12.1403 12.1403 13.0882 13.0882 k = 0.2372 0.4108-0.0000 ( 3950 PWs) bands (ev): -31.4099 -31.4099 -31.4044 -31.4044 -12.7342 -12.7342 -12.7151 -12.7151 -12.3782 -12.3782 -12.3623 -12.3623 -12.3381 -12.3381 -12.3083 -12.3083 -0.8768 -0.8768 -0.7596 -0.7596 4.1813 4.1813 4.3596 4.3596 5.4262 5.4262 5.4697 5.4697 5.6876 5.6876 5.7356 5.7356 6.1129 6.1129 6.2096 6.2096 6.2731 6.2731 6.3709 6.3709 6.4248 6.4248 6.4691 6.4691 6.9577 6.9577 7.1920 7.1920 7.3790 7.3790 8.2278 8.2278 10.5638 10.5638 11.6508 11.6508 11.8474 11.8474 12.1356 12.1356 13.0272 13.0272 k = 0.2308 0.3997-0.0000 ( 3958 PWs) bands (ev): -31.4101 -31.4101 -31.4045 -31.4045 -12.7338 -12.7338 -12.7142 -12.7142 -12.3782 -12.3782 -12.3610 -12.3610 -12.3367 -12.3367 -12.3079 -12.3079 -0.9118 -0.9118 -0.7767 -0.7767 4.1983 4.1983 4.3794 4.3794 5.4094 5.4094 5.4699 5.4699 5.6863 5.6863 5.7274 5.7274 6.1159 6.1159 6.2401 6.2401 6.2732 6.2732 6.3936 6.3936 6.4470 6.4470 6.4890 6.4890 7.0125 7.0125 7.2510 7.2510 7.3276 7.3276 8.2323 8.2323 10.5756 10.5756 11.5954 11.5954 11.9214 11.9214 12.1323 12.1323 12.9622 12.9622 k = 0.2244 0.3886-0.0000 ( 3946 PWs) bands (ev): -31.4103 -31.4103 -31.4047 -31.4047 -12.7333 -12.7333 -12.7131 -12.7131 -12.3781 -12.3781 -12.3595 -12.3595 -12.3352 -12.3352 -12.3075 -12.3075 -0.9483 -0.9483 -0.7945 -0.7945 4.2189 4.2189 4.4005 4.4005 5.3918 5.3918 5.4659 5.4659 5.6719 5.6719 5.7330 5.7330 6.1186 6.1186 6.2614 6.2614 6.2732 6.2732 6.4246 6.4246 6.4584 6.4584 6.5278 6.5278 7.0711 7.0711 7.2735 7.2735 7.3159 7.3159 8.2349 8.2349 10.5923 10.5923 11.5413 11.5413 11.9970 11.9970 12.1304 12.1304 12.8943 12.8943 k = 0.2179 0.3775-0.0000 ( 3946 PWs) bands (ev): -31.4104 -31.4104 -31.4049 -31.4049 -12.7327 -12.7327 -12.7120 -12.7120 -12.3781 -12.3781 -12.3579 -12.3579 -12.3337 -12.3337 -12.3071 -12.3071 -0.9864 -0.9864 -0.8130 -0.8130 4.2427 4.2427 4.4228 4.4228 5.3734 5.3734 5.4585 5.4585 5.6520 5.6520 5.7444 5.7444 6.1209 6.1209 6.2720 6.2720 6.2748 6.2748 6.4627 6.4627 6.4660 6.4660 6.5784 6.5784 7.1318 7.1318 7.2258 7.2258 7.3792 7.3792 8.2357 8.2357 10.6136 10.6136 11.4888 11.4888 12.0734 12.0734 12.1298 12.1298 12.8242 12.8242 k = 0.2115 0.3664-0.0000 ( 3944 PWs) bands (ev): -31.4106 -31.4106 -31.4051 -31.4051 -12.7322 -12.7322 -12.7108 -12.7108 -12.3779 -12.3779 -12.3562 -12.3562 -12.3321 -12.3321 -12.3068 -12.3068 -1.0257 -1.0257 -0.8321 -0.8321 4.2695 4.2695 4.4460 4.4460 5.3542 5.3542 5.4483 5.4483 5.6308 5.6308 5.7577 5.7577 6.1226 6.1226 6.2722 6.2722 6.2804 6.2804 6.4696 6.4696 6.5093 6.5093 6.6362 6.6362 7.1602 7.1602 7.2141 7.2141 7.4459 7.4459 8.2348 8.2348 10.6395 10.6395 11.4377 11.4377 12.1269 12.1269 12.1542 12.1542 12.7528 12.7528 k = 0.2051 0.3553-0.0000 ( 3948 PWs) bands (ev): -31.4108 -31.4108 -31.4052 -31.4052 -12.7317 -12.7317 -12.7096 -12.7096 -12.3778 -12.3778 -12.3544 -12.3544 -12.3305 -12.3305 -12.3064 -12.3064 -1.0661 -1.0661 -0.8518 -0.8518 4.2990 4.2990 4.4701 4.4701 5.3343 5.3343 5.4358 5.4358 5.6091 5.6091 5.7719 5.7719 6.1240 6.1240 6.2717 6.2717 6.2830 6.2830 6.4741 6.4741 6.5585 6.5585 6.6995 6.6995 7.1176 7.1176 7.2781 7.2781 7.5149 7.5149 8.2323 8.2323 10.6699 10.6699 11.3883 11.3883 12.1291 12.1291 12.2312 12.2312 12.6804 12.6804 k = 0.1987 0.3442-0.0000 ( 3956 PWs) bands (ev): -31.4111 -31.4111 -31.4054 -31.4054 -12.7311 -12.7311 -12.7084 -12.7084 -12.3775 -12.3775 -12.3526 -12.3526 -12.3289 -12.3289 -12.3061 -12.3061 -1.1074 -1.1074 -0.8718 -0.8718 4.3309 4.3309 4.4948 4.4948 5.3136 5.3136 5.4215 5.4215 5.5874 5.5874 5.7866 5.7866 6.1249 6.1249 6.2710 6.2710 6.2835 6.2835 6.4782 6.4782 6.6109 6.6109 6.7668 6.7668 7.0706 7.0706 7.3517 7.3517 7.5860 7.5860 8.2283 8.2283 10.7045 10.7045 11.3405 11.3405 12.1306 12.1306 12.3096 12.3096 12.6075 12.6075 k = 0.1923 0.3331-0.0000 ( 3952 PWs) bands (ev): -31.4113 -31.4113 -31.4056 -31.4056 -12.7305 -12.7305 -12.7070 -12.7070 -12.3773 -12.3773 -12.3507 -12.3507 -12.3273 -12.3273 -12.3057 -12.3057 -1.1494 -1.1494 -0.8922 -0.8922 4.3650 4.3650 4.5200 4.5200 5.2922 5.2922 5.4058 5.4058 5.5658 5.5658 5.8016 5.8016 6.1254 6.1254 6.2701 6.2701 6.2830 6.2830 6.4822 6.4822 6.6661 6.6661 6.8369 6.8369 7.0252 7.0252 7.4292 7.4292 7.6591 7.6591 8.2229 8.2229 10.7434 10.7434 11.2945 11.2945 12.1325 12.1325 12.3874 12.3874 12.5348 12.5348 k = 0.1859 0.3220-0.0000 ( 3948 PWs) bands (ev): -31.4115 -31.4115 -31.4058 -31.4058 -12.7299 -12.7299 -12.7057 -12.7057 -12.3770 -12.3770 -12.3487 -12.3487 -12.3256 -12.3256 -12.3054 -12.3054 -1.1918 -1.1918 -0.9129 -0.9129 4.4009 4.4009 4.5455 4.5455 5.2700 5.2700 5.3890 5.3890 5.5445 5.5445 5.8168 5.8168 6.1255 6.1255 6.2691 6.2691 6.2820 6.2820 6.4860 6.4860 6.7241 6.7241 6.9052 6.9052 6.9864 6.9864 7.5098 7.5098 7.7342 7.7342 8.2162 8.2162 10.7861 10.7861 11.2504 11.2504 12.1345 12.1345 12.4544 12.4544 12.4715 12.4715 k = 0.1795 0.3109-0.0000 ( 3944 PWs) bands (ev): -31.4117 -31.4117 -31.4060 -31.4060 -12.7292 -12.7292 -12.7043 -12.7043 -12.3766 -12.3766 -12.3466 -12.3466 -12.3238 -12.3238 -12.3050 -12.3050 -1.2345 -1.2345 -0.9337 -0.9337 4.4382 4.4382 4.5712 4.5712 5.2472 5.2472 5.3713 5.3713 5.5236 5.5236 5.8320 5.8320 6.1252 6.1252 6.2680 6.2680 6.2807 6.2807 6.4896 6.4896 6.7842 6.7842 6.9231 6.9231 7.0034 7.0034 7.5929 7.5929 7.8109 7.8109 8.2084 8.2084 10.8326 10.8326 11.2082 11.2082 12.1364 12.1364 12.3888 12.3888 12.5387 12.5387 k = 0.1731 0.2998-0.0000 ( 3948 PWs) bands (ev): -31.4119 -31.4119 -31.4063 -31.4063 -12.7287 -12.7287 -12.7029 -12.7029 -12.3763 -12.3763 -12.3444 -12.3444 -12.3221 -12.3221 -12.3047 -12.3047 -1.2773 -1.2773 -0.9547 -0.9547 4.4767 4.4767 4.5969 4.5969 5.2238 5.2238 5.3530 5.3530 5.5031 5.5031 5.8471 5.8471 6.1246 6.1246 6.2667 6.2667 6.2793 6.2793 6.4931 6.4931 6.8403 6.8403 6.8961 6.8961 7.0771 7.0771 7.6779 7.6779 7.8894 7.8894 8.1997 8.1997 10.8825 10.8825 11.1679 11.1679 12.1379 12.1379 12.3176 12.3176 12.6076 12.6076 k = 0.1667 0.2887-0.0000 ( 3942 PWs) bands (ev): -31.4122 -31.4122 -31.4065 -31.4065 -12.7280 -12.7280 -12.7014 -12.7014 -12.3759 -12.3759 -12.3422 -12.3422 -12.3204 -12.3204 -12.3044 -12.3044 -1.3200 -1.3200 -0.9756 -0.9756 4.5161 4.5161 4.6223 4.6223 5.1997 5.1997 5.3344 5.3344 5.4831 5.4831 5.8618 5.8618 6.1238 6.1238 6.2654 6.2654 6.2780 6.2780 6.4963 6.4963 6.8384 6.8384 6.9277 6.9277 7.1584 7.1584 7.7642 7.7642 7.9694 7.9694 8.1902 8.1902 10.9356 10.9356 11.1297 11.1297 12.1386 12.1386 12.2472 12.2472 12.6689 12.6689 k = 0.1603 0.2776-0.0000 ( 3938 PWs) bands (ev): -31.4124 -31.4124 -31.4067 -31.4067 -12.7274 -12.7274 -12.6999 -12.6999 -12.3755 -12.3755 -12.3400 -12.3400 -12.3186 -12.3186 -12.3041 -12.3041 -1.3624 -1.3624 -0.9964 -0.9964 4.5559 4.5559 4.6475 4.6475 5.1751 5.1751 5.3156 5.3156 5.4636 5.4636 5.8761 5.8761 6.1230 6.1230 6.2641 6.2641 6.2768 6.2768 6.4992 6.4992 6.8050 6.8050 6.9954 6.9954 7.2433 7.2433 7.8514 7.8514 8.0508 8.0508 8.1801 8.1801 10.9916 10.9916 11.0939 11.0939 12.1381 12.1381 12.1781 12.1781 12.7181 12.7181 k = 0.1538 0.2665-0.0000 ( 3946 PWs) bands (ev): -31.4127 -31.4127 -31.4069 -31.4069 -12.7269 -12.7269 -12.6985 -12.6985 -12.3751 -12.3751 -12.3377 -12.3377 -12.3169 -12.3169 -12.3038 -12.3038 -1.4044 -1.4044 -1.0170 -1.0170 4.5960 4.5960 4.6722 4.6722 5.1501 5.1501 5.2965 5.2965 5.4446 5.4446 5.8897 5.8897 6.1223 6.1223 6.2627 6.2627 6.2756 6.2756 6.5016 6.5016 6.7712 6.7712 7.0691 7.0691 7.3312 7.3312 7.9387 7.9387 8.1328 8.1328 8.1703 8.1703 11.0460 11.0460 11.0646 11.0646 12.1103 12.1103 12.1362 12.1362 12.7500 12.7500 k = 0.1474 0.2554-0.0000 ( 3948 PWs) bands (ev): -31.4129 -31.4129 -31.4072 -31.4072 -12.7263 -12.7263 -12.6970 -12.6970 -12.3746 -12.3746 -12.3354 -12.3354 -12.3151 -12.3151 -12.3036 -12.3036 -1.4458 -1.4458 -1.0374 -1.0374 4.6361 4.6361 4.6964 4.6964 5.1247 5.1247 5.2775 5.2775 5.4263 5.4263 5.9025 5.9025 6.1218 6.1218 6.2614 6.2614 6.2746 6.2746 6.5036 6.5036 6.7394 6.7394 7.1466 7.1466 7.4224 7.4224 8.0258 8.0258 8.1572 8.1572 8.2190 8.2190 11.0265 11.0265 11.1139 11.1139 12.0445 12.0445 12.1319 12.1319 12.7615 12.7615 k = 0.1410 0.2443-0.0000 ( 3944 PWs) bands (ev): -31.4131 -31.4131 -31.4074 -31.4074 -12.7257 -12.7257 -12.6956 -12.6956 -12.3741 -12.3741 -12.3331 -12.3331 -12.3133 -12.3133 -12.3033 -12.3033 -1.4864 -1.4864 -1.0575 -1.0575 4.6758 4.6758 4.7199 4.7199 5.0990 5.0990 5.2588 5.2588 5.4085 5.4085 5.9142 5.9142 6.1219 6.1219 6.2601 6.2601 6.2736 6.2736 6.5050 6.5050 6.7101 6.7101 7.2276 7.2276 7.5166 7.5166 8.1109 8.1109 8.1475 8.1475 8.3039 8.3039 10.9974 10.9974 11.1773 11.1773 11.9805 11.9805 12.1249 12.1249 12.7547 12.7547 k = 0.1346 0.2332-0.0000 ( 3949 PWs) bands (ev): -31.4134 -31.4134 -31.4076 -31.4076 -12.7251 -12.7251 -12.6941 -12.6941 -12.3737 -12.3737 -12.3307 -12.3307 -12.3115 -12.3115 -12.3031 -12.3031 -1.5262 -1.5262 -1.0771 -1.0771 4.7150 4.7150 4.7425 4.7425 5.0731 5.0731 5.2403 5.2403 5.3915 5.3915 5.9245 5.9245 6.1227 6.1227 6.2588 6.2588 6.2727 6.2727 6.5056 6.5056 6.6837 6.6837 7.3118 7.3118 7.6139 7.6139 8.1333 8.1333 8.1987 8.1987 8.3902 8.3902 10.9703 10.9703 11.2429 11.2429 11.9186 11.9186 12.1148 12.1148 12.7352 12.7352 k = 0.1282 0.2221-0.0000 ( 3941 PWs) bands (ev): -31.4136 -31.4136 -31.4078 -31.4078 -12.7246 -12.7246 -12.6927 -12.6927 -12.3732 -12.3732 -12.3284 -12.3284 -12.3097 -12.3097 -12.3029 -12.3029 -1.5649 -1.5649 -1.0963 -1.0963 4.7533 4.7533 4.7645 4.7645 5.0473 5.0473 5.2222 5.2222 5.3752 5.3752 5.9333 5.9333 6.1245 6.1245 6.2576 6.2576 6.2719 6.2719 6.5052 6.5052 6.6604 6.6604 7.3992 7.3992 7.7145 7.7145 8.1223 8.1223 8.2813 8.2813 8.4774 8.4774 10.9454 10.9454 11.3103 11.3103 11.8589 11.8589 12.1008 12.1008 12.7082 12.7082 k = 0.1218 0.2110-0.0000 ( 3947 PWs) bands (ev): -31.4139 -31.4139 -31.4080 -31.4080 -12.7241 -12.7241 -12.6913 -12.6913 -12.3728 -12.3728 -12.3261 -12.3261 -12.3079 -12.3079 -12.3027 -12.3027 -1.6024 -1.6024 -1.1150 -1.1150 4.7850 4.7850 4.7910 4.7910 5.0215 5.0215 5.2047 5.2047 5.3596 5.3596 5.9403 5.9403 6.1273 6.1273 6.2563 6.2563 6.2710 6.2710 6.5035 6.5035 6.6404 6.6404 7.4895 7.4895 7.8182 7.8182 8.1110 8.1110 8.3619 8.3619 8.5655 8.5655 10.9229 10.9229 11.3790 11.3790 11.8017 11.8017 12.0825 12.0825 12.6771 12.6771 k = 0.1154 0.1999-0.0000 ( 3945 PWs) bands (ev): -31.4141 -31.4141 -31.4083 -31.4083 -12.7236 -12.7236 -12.6899 -12.6899 -12.3724 -12.3724 -12.3237 -12.3237 -12.3062 -12.3062 -12.3024 -12.3024 -1.6387 -1.6387 -1.1330 -1.1330 4.8050 4.8050 4.8268 4.8268 4.9961 4.9961 5.1878 5.1878 5.3449 5.3449 5.9456 5.9456 6.1314 6.1314 6.2551 6.2551 6.2702 6.2702 6.5004 6.5004 6.6240 6.6240 7.5826 7.5826 7.9250 7.9250 8.0999 8.0999 8.4396 8.4396 8.6544 8.6544 10.9028 10.9028 11.4486 11.4486 11.7471 11.7471 12.0594 12.0594 12.6442 12.6442 k = 0.1090 0.1887-0.0000 ( 3949 PWs) bands (ev): -31.4143 -31.4143 -31.4085 -31.4085 -12.7232 -12.7232 -12.6886 -12.6886 -12.3720 -12.3720 -12.3214 -12.3214 -12.3045 -12.3045 -12.3022 -12.3022 -1.6736 -1.6736 -1.1504 -1.1504 4.8237 4.8237 4.8611 4.8611 4.9712 4.9712 5.1717 5.1717 5.3309 5.3309 5.9492 5.9492 6.1365 6.1365 6.2540 6.2540 6.2692 6.2692 6.4957 6.4957 6.6111 6.6111 7.6782 7.6782 8.0339 8.0339 8.0901 8.0901 8.5140 8.5140 8.7439 8.7439 10.8850 10.8850 11.5188 11.5188 11.6950 11.6950 12.0310 12.0310 12.6107 12.6107 k = 0.1026 0.1776-0.0000 ( 3945 PWs) bands (ev): -31.4145 -31.4145 -31.4087 -31.4087 -12.7227 -12.7227 -12.6873 -12.6873 -12.3715 -12.3715 -12.3192 -12.3192 -12.3028 -12.3028 -12.3020 -12.3020 -1.7070 -1.7070 -1.1671 -1.1671 4.8413 4.8413 4.8932 4.8932 4.9475 4.9475 5.1564 5.1564 5.3180 5.3180 5.9511 5.9511 6.1428 6.1428 6.2528 6.2528 6.2681 6.2681 6.4897 6.4897 6.6015 6.6015 7.7762 7.7762 8.0760 8.0760 8.1504 8.1504 8.5845 8.5845 8.8338 8.8338 10.8694 10.8694 11.5890 11.5890 11.6458 11.6458 11.9972 11.9972 12.5775 12.5775 k = 0.0962 0.1665-0.0000 ( 3945 PWs) bands (ev): -31.4147 -31.4147 -31.4089 -31.4089 -12.7223 -12.7223 -12.6861 -12.6861 -12.3711 -12.3711 -12.3170 -12.3170 -12.3019 -12.3019 -12.3010 -12.3010 -1.7389 -1.7389 -1.1830 -1.1830 4.8576 4.8576 4.9135 4.9135 4.9343 4.9343 5.1422 5.1422 5.3059 5.3059 5.9517 5.9517 6.1498 6.1498 6.2518 6.2518 6.2669 6.2669 6.4828 6.4828 6.5948 6.5948 7.8762 7.8762 8.0665 8.0665 8.2657 8.2657 8.6509 8.6509 8.9240 8.9240 10.8560 10.8560 11.5993 11.5993 11.6589 11.6589 11.9579 11.9579 12.5451 12.5451 k = 0.0897 0.1554-0.0000 ( 3947 PWs) bands (ev): -31.4149 -31.4149 -31.4090 -31.4090 -12.7219 -12.7219 -12.6850 -12.6850 -12.3707 -12.3707 -12.3150 -12.3150 -12.3018 -12.3018 -12.2994 -12.2994 -1.7691 -1.7691 -1.1981 -1.1981 4.8726 4.8726 4.8965 4.8965 4.9572 4.9572 5.1291 5.1291 5.2949 5.2949 5.9511 5.9511 6.1574 6.1574 6.2509 6.2509 6.2656 6.2656 6.4754 6.4754 6.5903 6.5903 7.9777 7.9777 8.0570 8.0570 8.3843 8.3843 8.7129 8.7129 9.0142 9.0142 10.8446 10.8446 11.5557 11.5557 11.7278 11.7278 11.9131 11.9131 12.5140 12.5140 k = 0.0833 0.1443-0.0000 ( 3951 PWs) bands (ev): -31.4151 -31.4151 -31.4092 -31.4092 -12.7216 -12.7216 -12.6839 -12.6839 -12.3704 -12.3704 -12.3129 -12.3129 -12.3016 -12.3016 -12.2979 -12.2979 -1.7975 -1.7975 -1.2124 -1.2124 4.8749 4.8749 4.8862 4.8862 4.9833 4.9833 5.1173 5.1173 5.2849 5.2849 5.9495 5.9495 6.1652 6.1652 6.2501 6.2501 6.2640 6.2640 6.4680 6.4680 6.5874 6.5874 8.0463 8.0463 8.0821 8.0821 8.5054 8.5054 8.7705 8.7705 9.1041 9.1041 10.8351 10.8351 11.5148 11.5148 11.7951 11.7951 11.8632 11.8632 12.4842 12.4842 k = 0.0769 0.1332-0.0000 ( 3947 PWs) bands (ev): -31.4153 -31.4153 -31.4094 -31.4094 -12.7212 -12.7212 -12.6828 -12.6828 -12.3700 -12.3700 -12.3110 -12.3110 -12.3014 -12.3014 -12.2965 -12.2965 -1.8241 -1.8241 -1.2258 -1.2258 4.8540 4.8540 4.8984 4.8984 5.0071 5.0071 5.1072 5.1072 5.2762 5.2762 5.9474 5.9474 6.1731 6.1731 6.2496 6.2496 6.2623 6.2623 6.4610 6.4610 6.5857 6.5857 8.0382 8.0382 8.1851 8.1851 8.6279 8.6279 8.8243 8.8243 9.1934 9.1934 10.8273 10.8273 11.4765 11.4765 11.8072 11.8072 11.8615 11.8615 12.4562 12.4562 k = 0.0705 0.1221-0.0000 ( 3953 PWs) bands (ev): -31.4155 -31.4155 -31.4095 -31.4095 -12.7209 -12.7209 -12.6819 -12.6819 -12.3697 -12.3697 -12.3092 -12.3092 -12.3013 -12.3013 -12.2951 -12.2951 -1.8489 -1.8489 -1.2382 -1.2382 4.8341 4.8341 4.9090 4.9090 5.0278 5.0278 5.0992 5.0992 5.2688 5.2688 5.9447 5.9447 6.1806 6.1806 6.2493 6.2493 6.2604 6.2604 6.4546 6.4546 6.5847 6.5847 8.0301 8.0301 8.2889 8.2889 8.7495 8.7495 8.8762 8.8762 9.2816 9.2816 10.8210 10.8210 11.4406 11.4406 11.7481 11.7481 11.9239 11.9239 12.3948 12.3948 k = 0.0641 0.1110-0.0000 ( 3945 PWs) bands (ev): -31.4156 -31.4156 -31.4097 -31.4097 -12.7207 -12.7207 -12.6810 -12.6810 -12.3694 -12.3694 -12.3075 -12.3075 -12.3012 -12.3012 -12.2937 -12.2937 -1.8717 -1.8717 -1.2496 -1.2496 4.8155 4.8155 4.9180 4.9180 5.0444 5.0444 5.0943 5.0943 5.2628 5.2628 5.9420 5.9420 6.1878 6.1878 6.2494 6.2494 6.2585 6.2585 6.4490 6.4490 6.5843 6.5843 8.0226 8.0226 8.3922 8.3922 8.8588 8.8588 8.9372 8.9372 9.3682 9.3682 10.8159 10.8159 11.4067 11.4067 11.6850 11.6850 11.9832 11.9832 12.2715 12.2715 k = 0.0577 0.0999-0.0000 ( 3943 PWs) bands (ev): -31.4158 -31.4158 -31.4098 -31.4098 -12.7204 -12.7204 -12.6802 -12.6802 -12.3691 -12.3691 -12.3060 -12.3060 -12.3010 -12.3010 -12.2925 -12.2925 -1.8924 -1.8924 -1.2601 -1.2601 4.7982 4.7982 4.9254 4.9254 5.0552 5.0552 5.0941 5.0941 5.2583 5.2583 5.9390 5.9390 6.1941 6.1941 6.2498 6.2498 6.2567 6.2567 6.4441 6.4441 6.5841 6.5841 8.0157 8.0157 8.4941 8.4941 8.9259 8.9259 9.0367 9.0367 9.4526 9.4526 10.8118 10.8118 11.3743 11.3743 11.6189 11.6189 12.0385 12.0385 12.1527 12.1527 k = 0.0513 0.0888-0.0000 ( 3951 PWs) bands (ev): -31.4159 -31.4159 -31.4100 -31.4100 -12.7202 -12.7202 -12.6795 -12.6795 -12.3689 -12.3689 -12.3047 -12.3047 -12.3008 -12.3008 -12.2914 -12.2914 -1.9112 -1.9112 -1.2695 -1.2695 4.7825 4.7825 4.9311 4.9311 5.0595 5.0595 5.0989 5.0989 5.2554 5.2554 5.9360 5.9360 6.1997 6.1997 6.2505 6.2505 6.2549 6.2549 6.4398 6.4398 6.5842 6.5842 8.0095 8.0095 8.5934 8.5934 8.9657 8.9657 9.1593 9.1593 9.5341 9.5341 10.8085 10.8085 11.3424 11.3424 11.5511 11.5511 12.0396 12.0396 12.0893 12.0893 k = 0.0449 0.0777-0.0000 ( 3951 PWs) bands (ev): -31.4160 -31.4160 -31.4101 -31.4101 -12.7200 -12.7200 -12.6788 -12.6788 -12.3687 -12.3687 -12.3036 -12.3036 -12.3006 -12.3006 -12.2904 -12.2904 -1.9278 -1.9278 -1.2779 -1.2779 4.7685 4.7685 4.9354 4.9354 5.0603 5.0603 5.1059 5.1059 5.2540 5.2540 5.9332 5.9332 6.2042 6.2042 6.2510 6.2510 6.2539 6.2539 6.4363 6.4363 6.5844 6.5844 8.0040 8.0040 8.6888 8.6888 8.9963 8.9963 9.2861 9.2861 9.6116 9.6116 10.8059 10.8059 11.3097 11.3097 11.4827 11.4827 11.9337 11.9337 12.0198 12.0198 k = 0.0385 0.0666-0.0000 ( 3939 PWs) bands (ev): -31.4161 -31.4161 -31.4102 -31.4102 -12.7199 -12.7199 -12.6782 -12.6782 -12.3685 -12.3685 -12.3026 -12.3026 -12.3002 -12.3002 -12.2895 -12.2895 -1.9423 -1.9423 -1.2852 -1.2852 4.7561 4.7561 4.9383 4.9383 5.0601 5.0601 5.1125 5.1125 5.2540 5.2540 5.9306 5.9306 6.2079 6.2079 6.2502 6.2502 6.2547 6.2547 6.4334 6.4334 6.5847 6.5847 7.9992 7.9992 8.7786 8.7786 9.0213 9.0213 9.4123 9.4123 9.6840 9.6840 10.8038 10.8038 11.2742 11.2742 11.4154 11.4154 11.8365 11.8365 11.8911 11.8911 k = 0.0321 0.0555-0.0000 ( 3935 PWs) bands (ev): -31.4162 -31.4162 -31.4102 -31.4102 -12.7197 -12.7197 -12.6777 -12.6777 -12.3683 -12.3683 -12.3020 -12.3020 -12.2997 -12.2997 -12.2888 -12.2888 -1.9546 -1.9546 -1.2914 -1.2914 4.7455 4.7455 4.9401 4.9401 5.0600 5.0600 5.1176 5.1176 5.2551 5.2551 5.9284 5.9284 6.2106 6.2106 6.2488 6.2488 6.2564 6.2564 6.4310 6.4310 6.5850 6.5850 7.9951 7.9951 8.8608 8.8608 9.0420 9.0420 9.5349 9.5349 9.7500 9.7500 10.8020 10.8020 11.2336 11.2336 11.3514 11.3514 11.7496 11.7496 11.7773 11.7773 k = 0.0256 0.0444-0.0000 ( 3929 PWs) bands (ev): -31.4163 -31.4163 -31.4103 -31.4103 -12.7196 -12.7196 -12.6773 -12.6773 -12.3682 -12.3682 -12.3017 -12.3017 -12.2991 -12.2991 -12.2882 -12.2882 -1.9647 -1.9647 -1.2965 -1.2965 4.7368 4.7368 4.9411 4.9411 5.0602 5.0602 5.1213 5.1213 5.2568 5.2568 5.9264 5.9264 6.2126 6.2126 6.2475 6.2475 6.2583 6.2583 6.4292 6.4292 6.5852 6.5852 7.9918 7.9918 8.9328 8.9328 9.0590 9.0590 9.6504 9.6504 9.8080 9.8080 10.8004 10.8004 11.1860 11.1860 11.2931 11.2931 11.6748 11.6748 11.6835 11.6835 k = 0.0192 0.0333-0.0000 ( 3937 PWs) bands (ev): -31.4163 -31.4163 -31.4104 -31.4104 -12.7196 -12.7196 -12.6770 -12.6770 -12.3681 -12.3681 -12.3015 -12.3015 -12.2986 -12.2986 -12.2877 -12.2877 -1.9726 -1.9726 -1.3005 -1.3005 4.7299 4.7299 4.9414 4.9414 5.0605 5.0605 5.1236 5.1236 5.2585 5.2585 5.9248 5.9248 6.2139 6.2139 6.2465 6.2465 6.2600 6.2600 6.4278 6.4278 6.5855 6.5855 7.9892 7.9892 8.9915 8.9915 9.0732 9.0732 9.7537 9.7537 9.8564 9.8564 10.7990 10.7990 11.1326 11.1326 11.2434 11.2434 11.6127 11.6127 11.6143 11.6143 k = 0.0128 0.0222-0.0000 ( 3937 PWs) bands (ev): -31.4164 -31.4164 -31.4104 -31.4104 -12.7195 -12.7195 -12.6768 -12.6768 -12.3680 -12.3680 -12.3014 -12.3014 -12.2983 -12.2983 -12.2874 -12.2874 -1.9782 -1.9782 -1.3034 -1.3034 4.7250 4.7250 4.9416 4.9416 5.0609 5.0609 5.1250 5.1250 5.2601 5.2601 5.9237 5.9237 6.2148 6.2148 6.2457 6.2457 6.2613 6.2613 6.4269 6.4269 6.5856 6.5856 7.9873 7.9873 9.0329 9.0329 9.0863 9.0863 9.8368 9.8368 9.8943 9.8943 10.7977 10.7977 11.0805 11.0805 11.2053 11.2053 11.5660 11.5660 11.5689 11.5689 k = 0.0064 0.0111-0.0000 ( 3935 PWs) bands (ev): -31.4164 -31.4164 -31.4104 -31.4104 -12.7194 -12.7194 -12.6766 -12.6766 -12.3680 -12.3680 -12.3014 -12.3014 -12.2980 -12.2980 -12.2871 -12.2871 -1.9816 -1.9816 -1.3051 -1.3051 4.7220 4.7220 4.9416 4.9416 5.0612 5.0612 5.1258 5.1258 5.2612 5.2612 5.9230 5.9230 6.2153 6.2153 6.2453 6.2453 6.2622 6.2622 6.4263 6.4263 6.5857 6.5857 7.9862 7.9862 9.0548 9.0548 9.0981 9.0981 9.8885 9.8885 9.9222 9.9222 10.7967 10.7967 11.0413 11.0413 11.1812 11.1812 11.5396 11.5396 11.5413 11.5413 k = 0.0000 0.0000 0.0000 ( 3949 PWs) bands (ev): -31.4164 -31.4164 -31.4104 -31.4104 -12.7194 -12.7194 -12.6767 -12.6767 -12.3680 -12.3680 -12.3014 -12.3014 -12.2980 -12.2980 -12.2871 -12.2871 -1.9828 -1.9828 -1.3057 -1.3057 4.7210 4.7210 4.9415 4.9415 5.0613 5.0613 5.1260 5.1260 5.2616 5.2616 5.9227 5.9227 6.2154 6.2154 6.2450 6.2450 6.2624 6.2624 6.4260 6.4260 6.5857 6.5857 7.9858 7.9858 9.0609 9.0609 9.1034 9.1034 9.9038 9.9038 9.9349 9.9349 10.7963 10.7963 11.0266 11.0266 11.1729 11.1729 11.5307 11.5307 11.5324 11.5324 k = 0.0000 0.0000 0.0000 ( 3949 PWs) bands (ev): -31.4164 -31.4164 -31.4104 -31.4104 -12.7194 -12.7194 -12.6767 -12.6767 -12.3680 -12.3680 -12.3014 -12.3014 -12.2980 -12.2980 -12.2871 -12.2871 -1.9828 -1.9828 -1.3057 -1.3057 4.7210 4.7210 4.9415 4.9415 5.0613 5.0613 5.1260 5.1260 5.2616 5.2616 5.9227 5.9227 6.2154 6.2154 6.2450 6.2450 6.2624 6.2624 6.4260 6.4260 6.5857 6.5857 7.9858 7.9858 9.0609 9.0609 9.1034 9.1034 9.9038 9.9038 9.9349 9.9349 10.7963 10.7963 11.0266 11.0266 11.1729 11.1729 11.5307 11.5307 11.5324 11.5324 k = 0.0000 0.0000 0.0124 ( 3937 PWs) bands (ev): -31.4164 -31.4164 -31.4104 -31.4104 -12.7194 -12.7194 -12.6766 -12.6766 -12.3679 -12.3679 -12.3015 -12.3015 -12.2979 -12.2979 -12.2871 -12.2871 -1.9819 -1.9819 -1.3068 -1.3068 4.7233 4.7233 4.9418 4.9418 5.0616 5.0616 5.1258 5.1258 5.2613 5.2613 5.9221 5.9221 6.2153 6.2153 6.2451 6.2451 6.2627 6.2627 6.4259 6.4259 6.5863 6.5863 7.9805 7.9805 9.0618 9.0618 9.1043 9.1043 9.9020 9.9020 9.9331 9.9331 10.8014 10.8014 11.0289 11.0289 11.1729 11.1729 11.5321 11.5321 11.5337 11.5337 k = 0.0000 0.0000 0.0247 ( 3937 PWs) bands (ev): -31.4164 -31.4164 -31.4105 -31.4105 -12.7192 -12.7192 -12.6767 -12.6767 -12.3677 -12.3677 -12.3018 -12.3018 -12.2979 -12.2979 -12.2871 -12.2871 -1.9794 -1.9794 -1.3101 -1.3101 4.7302 4.7302 4.9426 4.9426 5.0624 5.0624 5.1249 5.1249 5.2604 5.2604 5.9201 5.9201 6.2150 6.2150 6.2450 6.2450 6.2633 6.2633 6.4251 6.4251 6.5877 6.5877 7.9645 7.9645 9.0645 9.0645 9.1069 9.1069 9.8965 9.8965 9.9276 9.9276 10.8161 10.8161 11.0360 11.0360 11.1728 11.1728 11.5363 11.5363 11.5378 11.5378 k = 0.0000 0.0000 0.0371 ( 3943 PWs) bands (ev): -31.4163 -31.4163 -31.4105 -31.4105 -12.7188 -12.7188 -12.6770 -12.6770 -12.3673 -12.3673 -12.3024 -12.3024 -12.2978 -12.2978 -12.2872 -12.2872 -1.9753 -1.9753 -1.3156 -1.3156 4.7416 4.7416 4.9438 4.9438 5.0638 5.0638 5.1236 5.1236 5.2590 5.2590 5.9166 5.9166 6.2144 6.2144 6.2448 6.2448 6.2643 6.2643 6.4238 6.4238 6.5902 6.5902 7.9386 7.9386 9.0688 9.0688 9.1112 9.1112 9.8874 9.8874 9.9186 9.9186 10.8387 10.8387 11.0491 11.0491 11.1725 11.1725 11.5433 11.5433 11.5446 11.5446 k = 0.0000 0.0000 0.0495 ( 3944 PWs) bands (ev): -31.4163 -31.4163 -31.4106 -31.4106 -12.7183 -12.7183 -12.6773 -12.6773 -12.3668 -12.3668 -12.3031 -12.3031 -12.2977 -12.2977 -12.2873 -12.2873 -1.9696 -1.9696 -1.3232 -1.3232 4.7575 4.7575 4.9455 4.9455 5.0656 5.0656 5.1218 5.1218 5.2569 5.2569 5.9118 5.9118 6.2136 6.2136 6.2446 6.2446 6.2658 6.2658 6.4220 6.4220 6.5938 6.5938 7.9036 7.9036 9.0749 9.0749 9.1172 9.1172 9.8749 9.8749 9.9063 9.9063 10.8662 10.8662 11.0703 11.0703 11.1722 11.1722 11.5531 11.5531 11.5542 11.5542 k = 0.0000 0.0000 0.0619 ( 3944 PWs) bands (ev): -31.4162 -31.4162 -31.4106 -31.4106 -12.7176 -12.7176 -12.6777 -12.6777 -12.3661 -12.3661 -12.3041 -12.3041 -12.2976 -12.2976 -12.2875 -12.2875 -1.9623 -1.9623 -1.3329 -1.3329 4.7777 4.7777 4.9477 4.9477 5.0680 5.0680 5.1194 5.1194 5.2544 5.2544 5.9055 5.9055 6.2128 6.2128 6.2443 6.2443 6.2676 6.2676 6.4198 6.4198 6.5985 6.5985 7.8605 7.8605 9.0827 9.0827 9.1249 9.1249 9.8593 9.8593 9.8909 9.8909 10.8948 10.8948 11.1025 11.1025 11.1717 11.1717 11.5657 11.5657 11.5665 11.5665 k = 0.0000 0.0000 0.0742 ( 3944 PWs) bands (ev): -31.4161 -31.4161 -31.4107 -31.4107 -12.7168 -12.7168 -12.6782 -12.6782 -12.3653 -12.3653 -12.3053 -12.3053 -12.2974 -12.2974 -12.2876 -12.2876 -1.9533 -1.9533 -1.3445 -1.3445 4.8020 4.8020 4.9504 4.9504 5.0709 5.0709 5.1166 5.1166 5.2512 5.2512 5.8974 5.8974 6.2118 6.2118 6.2439 6.2439 6.2699 6.2699 6.4171 6.4171 6.6044 6.6044 7.8104 7.8104 9.0922 9.0922 9.1342 9.1342 9.8408 9.8408 9.8726 9.8726 10.9208 10.9208 11.1481 11.1481 11.1710 11.1710 11.5812 11.5812 11.5816 11.5816 k = 0.0000 0.0000 0.0866 ( 3944 PWs) bands (ev): -31.4160 -31.4160 -31.4108 -31.4108 -12.7159 -12.7159 -12.6788 -12.6788 -12.3643 -12.3643 -12.3066 -12.3066 -12.2972 -12.2972 -12.2878 -12.2878 -1.9429 -1.9429 -1.3580 -1.3580 4.8304 4.8304 4.9536 4.9536 5.0743 5.0743 5.1133 5.1133 5.2476 5.2476 5.8876 5.8876 6.2109 6.2109 6.2433 6.2433 6.2725 6.2725 6.4140 6.4140 6.6116 6.6116 7.7548 7.7548 9.1033 9.1033 9.1452 9.1452 9.8197 9.8197 9.8517 9.8517 10.9426 10.9426 11.1701 11.1701 11.2073 11.2073 11.5993 11.5993 11.5994 11.5994 k = 0.0000 0.0000 0.0990 ( 3944 PWs) bands (ev): -31.4159 -31.4159 -31.4110 -31.4110 -12.7149 -12.7149 -12.6795 -12.6795 -12.3632 -12.3632 -12.3082 -12.3082 -12.2970 -12.2970 -12.2880 -12.2880 -1.9309 -1.9309 -1.3733 -1.3733 4.8625 4.8625 4.9571 4.9571 5.0782 5.0782 5.1095 5.1095 5.2435 5.2435 5.8757 5.8757 6.2099 6.2099 6.2426 6.2426 6.2755 6.2755 6.4104 6.4104 6.6201 6.6201 7.6946 7.6946 9.1161 9.1161 9.1578 9.1578 9.7962 9.7962 9.8286 9.8286 10.9608 10.9608 11.1690 11.1690 11.2785 11.2785 11.6198 11.6198 11.6204 11.6204 k = 0.0000 0.0000 0.1114 ( 3962 PWs) bands (ev): -31.4158 -31.4158 -31.4111 -31.4111 -12.7138 -12.7138 -12.6803 -12.6803 -12.3620 -12.3620 -12.3099 -12.3099 -12.2968 -12.2968 -12.2883 -12.2883 -1.9175 -1.9175 -1.3903 -1.3903 4.8982 4.8982 4.9611 4.9611 5.0824 5.0824 5.1053 5.1053 5.2388 5.2388 5.8614 5.8614 6.2090 6.2090 6.2418 6.2418 6.2788 6.2788 6.4064 6.4064 6.6301 6.6301 7.6312 7.6312 9.1304 9.1304 9.1719 9.1719 9.7708 9.7708 9.8035 9.8035 10.9764 10.9764 11.1675 11.1675 11.3592 11.3592 11.6431 11.6431 11.6442 11.6442 k = 0.0000 0.0000 0.1237 ( 3950 PWs) bands (ev): -31.4156 -31.4156 -31.4112 -31.4112 -12.7126 -12.7126 -12.6811 -12.6811 -12.3606 -12.3606 -12.3117 -12.3117 -12.2965 -12.2965 -12.2885 -12.2885 -1.9027 -1.9027 -1.4088 -1.4088 4.9372 4.9372 4.9655 4.9655 5.0872 5.0872 5.1007 5.1007 5.2338 5.2338 5.8450 5.8450 6.2086 6.2086 6.2407 6.2407 6.2826 6.2826 6.4021 6.4021 6.6418 6.6418 7.5657 7.5657 9.1463 9.1463 9.1876 9.1876 9.7438 9.7438 9.7768 9.7768 10.9904 10.9904 11.1658 11.1658 11.4475 11.4475 11.6691 11.6691 11.6708 11.6708 k = 0.0000 0.0000 0.1361 ( 3968 PWs) bands (ev): -31.4155 -31.4155 -31.4114 -31.4114 -12.7112 -12.7112 -12.6822 -12.6822 -12.3591 -12.3591 -12.3139 -12.3139 -12.2963 -12.2963 -12.2888 -12.2888 -1.8865 -1.8865 -1.4286 -1.4286 4.9703 4.9703 4.9790 4.9790 5.0924 5.0924 5.0957 5.0957 5.2283 5.2283 5.8258 5.8258 6.2081 6.2081 6.2394 6.2394 6.2866 6.2866 6.3974 6.3974 6.6549 6.6549 7.4990 7.4990 9.1637 9.1637 9.2048 9.2048 9.7153 9.7153 9.7487 9.7487 11.0034 11.0034 11.1636 11.1636 11.5414 11.5414 11.6978 11.6978 11.7001 11.7001 k = 0.0000 0.0000 0.1485 ( 3974 PWs) bands (ev): -31.4153 -31.4153 -31.4116 -31.4116 -12.7098 -12.7098 -12.6832 -12.6832 -12.3575 -12.3575 -12.3160 -12.3160 -12.2960 -12.2960 -12.2892 -12.2892 -1.8691 -1.8691 -1.4496 -1.4496 4.9754 4.9754 5.0235 5.0235 5.0903 5.0903 5.0979 5.0979 5.2225 5.2225 5.8041 5.8041 6.2079 6.2079 6.2380 6.2380 6.2908 6.2908 6.3924 6.3924 6.6703 6.6703 7.4321 7.4321 9.1826 9.1826 9.2234 9.2234 9.6858 9.6858 9.7196 9.7196 11.0158 11.0158 11.1610 11.1610 11.6399 11.6399 11.7292 11.7292 11.7322 11.7322 k = 0.0000 0.0000 0.1609 ( 3980 PWs) bands (ev): -31.4151 -31.4151 -31.4118 -31.4118 -12.7084 -12.7084 -12.6843 -12.6843 -12.3557 -12.3557 -12.3182 -12.3182 -12.2956 -12.2956 -12.2895 -12.2895 -1.8505 -1.8505 -1.4718 -1.4718 4.9808 4.9808 5.0700 5.0700 5.0847 5.0847 5.1041 5.1041 5.2163 5.2163 5.7793 5.7793 6.2081 6.2081 6.2363 6.2363 6.2955 6.2955 6.3871 6.3871 6.6876 6.6876 7.3658 7.3658 9.2028 9.2028 9.2434 9.2434 9.6554 9.6554 9.6897 9.6897 11.0279 11.0279 11.1579 11.1579 11.7416 11.7416 11.7633 11.7633 11.7671 11.7671 k = 0.0000 0.0000 0.1732 ( 3980 PWs) bands (ev): -31.4150 -31.4150 -31.4120 -31.4120 -12.7069 -12.7069 -12.6855 -12.6855 -12.3538 -12.3538 -12.3206 -12.3206 -12.2953 -12.2953 -12.2899 -12.2899 -1.8307 -1.8307 -1.4948 -1.4948 4.9866 4.9866 5.0787 5.0787 5.1084 5.1084 5.1206 5.1206 5.2098 5.2098 5.7516 5.7516 6.2085 6.2085 6.2345 6.2345 6.3004 6.3004 6.3816 6.3816 6.7072 6.7072 7.3008 7.3008 9.2245 9.2245 9.2647 9.2647 9.6245 9.6245 9.6592 9.6592 11.0396 11.0396 11.1543 11.1543 11.8002 11.8002 11.8048 11.8048 11.8457 11.8457 k = 0.0000 0.0000 0.1856 ( 3980 PWs) bands (ev): -31.4148 -31.4148 -31.4122 -31.4122 -12.7053 -12.7053 -12.6868 -12.6868 -12.3518 -12.3518 -12.3230 -12.3230 -12.2949 -12.2949 -12.2902 -12.2902 -1.8099 -1.8099 -1.5186 -1.5186 4.9926 4.9926 5.0725 5.0725 5.1160 5.1160 5.1695 5.1695 5.2030 5.2030 5.7207 5.7207 6.2093 6.2093 6.2326 6.2326 6.3055 6.3055 6.3760 6.3760 6.7292 6.7292 7.2377 7.2377 9.2474 9.2474 9.2873 9.2873 9.5932 9.5932 9.6283 9.6283 11.0511 11.0511 11.1501 11.1501 11.8398 11.8398 11.8452 11.8452 11.9513 11.9513 k = 0.0000 0.0000 0.1980 ( 3974 PWs) bands (ev): -31.4146 -31.4146 -31.4123 -31.4123 -12.7037 -12.7037 -12.6881 -12.6881 -12.3497 -12.3497 -12.3254 -12.3254 -12.2946 -12.2946 -12.2905 -12.2905 -1.7882 -1.7882 -1.5430 -1.5430 4.9989 4.9989 5.0662 5.0662 5.1230 5.1230 5.1961 5.1961 5.2205 5.2205 5.6868 5.6868 6.2103 6.2103 6.2305 6.2305 6.3108 6.3108 6.3702 6.3702 6.7538 6.7538 7.1771 7.1771 9.2715 9.2715 9.3111 9.3111 9.5617 9.5617 9.5973 9.5973 11.0622 11.0622 11.1453 11.1453 11.8820 11.8820 11.8882 11.8882 12.0576 12.0576 k = 0.0000 0.0000 0.2103 ( 3968 PWs) bands (ev): -31.4143 -31.4143 -31.4125 -31.4125 -12.7020 -12.7020 -12.6895 -12.6895 -12.3475 -12.3475 -12.3279 -12.3279 -12.2942 -12.2942 -12.2909 -12.2909 -1.7656 -1.7656 -1.5679 -1.5679 5.0054 5.0054 5.0596 5.0596 5.1300 5.1300 5.1890 5.1890 5.2721 5.2721 5.6498 5.6498 6.2118 6.2118 6.2283 6.2283 6.3164 6.3164 6.3642 6.3642 6.7812 6.7812 7.1194 7.1194 9.2968 9.2968 9.3361 9.3361 9.5303 9.5303 9.5663 9.5663 11.0730 11.0730 11.1399 11.1399 11.9270 11.9270 11.9341 11.9341 12.1641 12.1641 k = 0.0000 0.0000 0.2227 ( 3944 PWs) bands (ev): -31.4141 -31.4141 -31.4128 -31.4128 -12.7003 -12.7003 -12.6908 -12.6908 -12.3452 -12.3452 -12.3303 -12.3303 -12.2937 -12.2937 -12.2912 -12.2912 -1.7422 -1.7422 -1.5930 -1.5930 5.0120 5.0120 5.0531 5.0531 5.1372 5.1372 5.1818 5.1818 5.3238 5.3238 5.6098 5.6098 6.2134 6.2134 6.2263 6.2263 6.3222 6.3222 6.3584 6.3584 6.8116 6.8116 7.0649 7.0649 9.3232 9.3232 9.3621 9.3621 9.4991 9.4991 9.5355 9.5355 11.0834 11.0834 11.1337 11.1337 11.9747 11.9747 11.9826 11.9826 12.2700 12.2700 k = 0.0000 0.0000 0.2351 ( 3938 PWs) bands (ev): -31.4139 -31.4139 -31.4130 -31.4130 -12.6987 -12.6987 -12.6923 -12.6923 -12.3428 -12.3428 -12.3329 -12.3329 -12.2933 -12.2933 -12.2916 -12.2916 -1.7182 -1.7182 -1.6183 -1.6183 5.0188 5.0188 5.0462 5.0462 5.1445 5.1445 5.1744 5.1744 5.3752 5.3752 5.5671 5.5671 6.2153 6.2153 6.2240 6.2240 6.3281 6.3281 6.3523 6.3523 6.8452 6.8452 7.0138 7.0138 9.3506 9.3506 9.3891 9.3891 9.4682 9.4682 9.5051 9.5051 11.0932 11.0932 11.1270 11.1270 12.0250 12.0250 12.0338 12.0338 12.2523 12.2523 k = 0.0000 0.0000 0.2475 ( 3932 PWs) bands (ev): -31.4136 -31.4136 -31.4132 -31.4132 -12.6970 -12.6970 -12.6938 -12.6938 -12.3404 -12.3404 -12.3354 -12.3354 -12.2928 -12.2928 -12.2920 -12.2920 -1.6937 -1.6937 -1.6436 -1.6436 5.0256 5.0256 5.0394 5.0394 5.1520 5.1520 5.1669 5.1669 5.4256 5.4256 5.5220 5.5220 6.2173 6.2173 6.2217 6.2217 6.3341 6.3341 6.3462 6.3462 6.8821 6.8821 6.9664 6.9664 9.3789 9.3789 9.4170 9.4170 9.4378 9.4378 9.4751 9.4751 11.1026 11.1026 11.1195 11.1195 12.0780 12.0780 12.0877 12.0877 12.1917 12.1917 k = 0.0000 0.0000 0.2598 ( 3932 PWs) bands (ev): -31.4134 -31.4134 -31.4134 -31.4134 -12.6954 -12.6954 -12.6954 -12.6954 -12.3379 -12.3379 -12.3379 -12.3379 -12.2924 -12.2924 -12.2924 -12.2924 -1.6688 -1.6688 -1.6688 -1.6688 5.0325 5.0325 5.0325 5.0325 5.1594 5.1594 5.1594 5.1594 5.4747 5.4747 5.4747 5.4747 6.2195 6.2195 6.2195 6.2195 6.3401 6.3401 6.3401 6.3401 6.9224 6.9224 6.9224 6.9224 9.4080 9.4080 9.4080 9.4080 9.4457 9.4457 9.4457 9.4457 11.1114 11.1114 11.1114 11.1114 12.1335 12.1335 12.1336 12.1340 12.1441 12.1441 k = 0.0000 0.0000 0.2598 ( 3932 PWs) bands (ev): -31.4134 -31.4134 -31.4134 -31.4134 -12.6954 -12.6954 -12.6954 -12.6954 -12.3379 -12.3379 -12.3379 -12.3379 -12.2924 -12.2924 -12.2924 -12.2924 -1.6688 -1.6688 -1.6688 -1.6688 5.0325 5.0325 5.0325 5.0325 5.1594 5.1594 5.1594 5.1594 5.4747 5.4747 5.4747 5.4747 6.2195 6.2195 6.2195 6.2195 6.3401 6.3401 6.3401 6.3401 6.9224 6.9224 6.9224 6.9224 9.4080 9.4080 9.4080 9.4080 9.4457 9.4457 9.4457 9.4457 11.1114 11.1114 11.1114 11.1114 12.1335 12.1335 12.1336 12.1337 12.1441 12.1441 k = 0.0111 0.0064 0.2598 ( 3932 PWs) bands (ev): -31.4134 -31.4134 -31.4134 -31.4134 -12.6954 -12.6954 -12.6954 -12.6954 -12.3379 -12.3379 -12.3379 -12.3379 -12.2925 -12.2925 -12.2925 -12.2925 -1.6679 -1.6679 -1.6679 -1.6679 5.0321 5.0321 5.0321 5.0321 5.1589 5.1589 5.1589 5.1589 5.4752 5.4752 5.4752 5.4752 6.2195 6.2195 6.2195 6.2195 6.3403 6.3403 6.3403 6.3403 6.9233 6.9233 6.9233 6.9233 9.4001 9.4001 9.4001 9.4001 9.4390 9.4390 9.4390 9.4390 11.1207 11.1207 11.1207 11.1207 12.1309 12.1309 12.1309 12.1310 12.1434 12.1434 k = 0.0222 0.0128 0.2598 ( 3946 PWs) bands (ev): -31.4134 -31.4134 -31.4134 -31.4134 -12.6956 -12.6956 -12.6956 -12.6956 -12.3380 -12.3380 -12.3380 -12.3380 -12.2928 -12.2928 -12.2928 -12.2928 -1.6652 -1.6652 -1.6652 -1.6652 5.0309 5.0309 5.0309 5.0309 5.1575 5.1575 5.1575 5.1575 5.4767 5.4767 5.4767 5.4767 6.2197 6.2197 6.2197 6.2197 6.3407 6.3407 6.3407 6.3407 6.9258 6.9258 6.9258 6.9258 9.3728 9.3728 9.3728 9.3728 9.4235 9.4235 9.4235 9.4235 11.1477 11.1477 11.1477 11.1477 12.1186 12.1186 12.1186 12.1187 12.1468 12.1468 k = 0.0333 0.0192 0.2598 ( 3962 PWs) bands (ev): -31.4134 -31.4134 -31.4134 -31.4134 -12.6957 -12.6957 -12.6957 -12.6957 -12.3381 -12.3381 -12.3381 -12.3381 -12.2932 -12.2932 -12.2932 -12.2932 -1.6607 -1.6607 -1.6607 -1.6607 5.0287 5.0287 5.0287 5.0287 5.1555 5.1555 5.1555 5.1555 5.4791 5.4791 5.4791 5.4791 6.2198 6.2198 6.2198 6.2198 6.3414 6.3414 6.3414 6.3414 6.9301 6.9301 6.9301 6.9301 9.3237 9.3237 9.3237 9.3237 9.4041 9.4041 9.4041 9.4041 11.1894 11.1894 11.1894 11.1894 12.0987 12.0987 12.0987 12.0987 12.1548 12.1548 k = 0.0444 0.0257 0.2598 ( 3962 PWs) bands (ev): -31.4133 -31.4133 -31.4133 -31.4133 -12.6959 -12.6959 -12.6959 -12.6959 -12.3382 -12.3382 -12.3382 -12.3382 -12.2937 -12.2937 -12.2937 -12.2937 -1.6545 -1.6545 -1.6545 -1.6545 5.0251 5.0251 5.0251 5.0251 5.1534 5.1534 5.1534 5.1534 5.4823 5.4823 5.4823 5.4823 6.2201 6.2201 6.2201 6.2201 6.3424 6.3424 6.3424 6.3424 6.9361 6.9361 6.9361 6.9361 9.2563 9.2563 9.2563 9.2563 9.3808 9.3808 9.3808 9.3808 11.2414 11.2414 11.2414 11.2414 12.0755 12.0755 12.0755 12.0755 12.1665 12.1665 k = 0.0556 0.0321 0.2598 ( 3974 PWs) bands (ev): -31.4133 -31.4133 -31.4133 -31.4133 -12.6962 -12.6962 -12.6962 -12.6962 -12.3384 -12.3384 -12.3384 -12.3384 -12.2944 -12.2944 -12.2944 -12.2944 -1.6465 -1.6465 -1.6465 -1.6465 5.0197 5.0197 5.0197 5.0197 5.1517 5.1517 5.1517 5.1517 5.4861 5.4861 5.4861 5.4861 6.2205 6.2205 6.2205 6.2205 6.3436 6.3436 6.3436 6.3436 6.9438 6.9438 6.9438 6.9438 9.1751 9.1751 9.1751 9.1751 9.3528 9.3528 9.3528 9.3528 11.2984 11.2984 11.2984 11.2984 12.0531 12.0531 12.0531 12.0531 12.1813 12.1813 k = 0.0667 0.0385 0.2598 ( 3976 PWs) bands (ev): -31.4132 -31.4132 -31.4132 -31.4132 -12.6966 -12.6966 -12.6966 -12.6966 -12.3385 -12.3385 -12.3385 -12.3385 -12.2952 -12.2952 -12.2952 -12.2952 -1.6367 -1.6367 -1.6367 -1.6367 5.0120 5.0120 5.0120 5.0120 5.1511 5.1511 5.1511 5.1511 5.4906 5.4906 5.4906 5.4906 6.2210 6.2210 6.2210 6.2210 6.3452 6.3452 6.3452 6.3452 6.9532 6.9532 6.9532 6.9532 9.0835 9.0835 9.0835 9.0835 9.3199 9.3199 9.3199 9.3199 11.3544 11.3544 11.3544 11.3544 12.0363 12.0363 12.0363 12.0363 12.1992 12.1992 k = 0.0778 0.0449 0.2598 ( 3970 PWs) bands (ev): -31.4131 -31.4131 -31.4131 -31.4131 -12.6969 -12.6969 -12.6969 -12.6969 -12.3387 -12.3387 -12.3387 -12.3387 -12.2961 -12.2961 -12.2961 -12.2961 -1.6252 -1.6252 -1.6252 -1.6252 5.0017 5.0017 5.0017 5.0017 5.1520 5.1520 5.1520 5.1520 5.4955 5.4955 5.4955 5.4955 6.2216 6.2216 6.2216 6.2216 6.3471 6.3471 6.3471 6.3471 6.9642 6.9642 6.9642 6.9642 8.9843 8.9843 8.9843 8.9843 9.2824 9.2824 9.2824 9.2824 11.4027 11.4027 11.4027 11.4027 12.0302 12.0302 12.0302 12.0302 12.2198 12.2198 k = 0.0889 0.0513 0.2598 ( 3970 PWs) bands (ev): -31.4129 -31.4129 -31.4129 -31.4129 -12.6974 -12.6974 -12.6974 -12.6974 -12.3390 -12.3390 -12.3390 -12.3390 -12.2972 -12.2972 -12.2972 -12.2972 -1.6121 -1.6121 -1.6121 -1.6121 4.9886 4.9886 4.9886 4.9886 5.1546 5.1546 5.1546 5.1546 5.5007 5.5007 5.5007 5.5007 6.2222 6.2222 6.2222 6.2222 6.3492 6.3492 6.3492 6.3492 6.9770 6.9770 6.9770 6.9770 8.8795 8.8795 8.8795 8.8795 9.2405 9.2405 9.2405 9.2405 11.4363 11.4363 11.4363 11.4363 12.0402 12.0402 12.0402 12.0402 12.2430 12.2430 k = 0.1000 0.0577 0.2598 ( 3966 PWs) bands (ev): -31.4128 -31.4128 -31.4128 -31.4128 -12.6978 -12.6978 -12.6978 -12.6978 -12.3392 -12.3392 -12.3392 -12.3392 -12.2983 -12.2983 -12.2983 -12.2983 -1.5973 -1.5973 -1.5973 -1.5973 4.9728 4.9728 4.9728 4.9728 5.1592 5.1592 5.1592 5.1592 5.5061 5.5061 5.5061 5.5061 6.2228 6.2228 6.2228 6.2228 6.3515 6.3515 6.3515 6.3515 6.9913 6.9913 6.9913 6.9913 8.7711 8.7711 8.7711 8.7711 9.1947 9.1947 9.1947 9.1947 11.4506 11.4506 11.4506 11.4506 12.0695 12.0695 12.0695 12.0695 12.2686 12.2686 k = 0.1111 0.0642 0.2598 ( 3962 PWs) bands (ev): -31.4127 -31.4127 -31.4127 -31.4127 -12.6984 -12.6984 -12.6984 -12.6984 -12.3395 -12.3395 -12.3395 -12.3395 -12.2995 -12.2995 -12.2995 -12.2995 -1.5809 -1.5809 -1.5809 -1.5809 4.9543 4.9543 4.9543 4.9543 5.1655 5.1655 5.1655 5.1655 5.5116 5.5116 5.5116 5.5116 6.2234 6.2234 6.2234 6.2234 6.3541 6.3541 6.3541 6.3541 7.0073 7.0073 7.0073 7.0073 8.6602 8.6602 8.6602 8.6602 9.1455 9.1455 9.1455 9.1455 11.4453 11.4453 11.4453 11.4453 12.1170 12.1170 12.1170 12.1170 12.2964 12.2964 k = 0.1222 0.0706 0.2598 ( 3962 PWs) bands (ev): -31.4125 -31.4125 -31.4125 -31.4125 -12.6990 -12.6990 -12.6990 -12.6990 -12.3399 -12.3399 -12.3399 -12.3399 -12.3009 -12.3009 -12.3009 -12.3009 -1.5629 -1.5629 -1.5629 -1.5629 4.9335 4.9335 4.9335 4.9335 5.1736 5.1736 5.1736 5.1736 5.5171 5.5171 5.5171 5.5171 6.2241 6.2241 6.2241 6.2241 6.3568 6.3568 6.3568 6.3568 7.0247 7.0247 7.0247 7.0247 8.5481 8.5481 8.5481 8.5481 9.0931 9.0931 9.0931 9.0931 11.4235 11.4235 11.4235 11.4235 12.1775 12.1775 12.1775 12.1775 12.3263 12.3263 k = 0.1333 0.0770 0.2598 ( 3962 PWs) bands (ev): -31.4124 -31.4124 -31.4124 -31.4124 -12.6996 -12.6996 -12.6996 -12.6996 -12.3403 -12.3403 -12.3403 -12.3403 -12.3022 -12.3022 -12.3022 -12.3022 -1.5434 -1.5434 -1.5434 -1.5434 4.9105 4.9105 4.9105 4.9105 5.1831 5.1831 5.1831 5.1831 5.5225 5.5225 5.5225 5.5225 6.2247 6.2247 6.2247 6.2247 6.3597 6.3597 6.3597 6.3597 7.0437 7.0437 7.0437 7.0437 8.4357 8.4357 8.4357 8.4357 9.0380 9.0380 9.0380 9.0380 11.3893 11.3893 11.3893 11.3893 12.2410 12.2410 12.2410 12.2410 12.3579 12.3579 k = 0.1444 0.0834 0.2598 ( 3966 PWs) bands (ev): -31.4122 -31.4122 -31.4122 -31.4122 -12.7003 -12.7003 -12.7003 -12.7003 -12.3408 -12.3408 -12.3408 -12.3408 -12.3037 -12.3037 -12.3037 -12.3037 -1.5224 -1.5224 -1.5224 -1.5224 4.8854 4.8854 4.8854 4.8854 5.1941 5.1941 5.1941 5.1941 5.5277 5.5277 5.5277 5.5277 6.2254 6.2254 6.2254 6.2254 6.3628 6.3628 6.3628 6.3628 7.0640 7.0640 7.0640 7.0640 8.3237 8.3237 8.3237 8.3237 8.9807 8.9807 8.9807 8.9807 11.3464 11.3464 11.3464 11.3464 12.2843 12.2843 12.2843 12.2843 12.3907 12.3907 k = 0.1556 0.0898 0.2598 ( 3966 PWs) bands (ev): -31.4120 -31.4120 -31.4120 -31.4120 -12.7011 -12.7011 -12.7011 -12.7011 -12.3413 -12.3413 -12.3413 -12.3413 -12.3052 -12.3052 -12.3052 -12.3052 -1.5001 -1.5001 -1.5001 -1.5001 4.8586 4.8586 4.8586 4.8586 5.2064 5.2064 5.2064 5.2064 5.5327 5.5327 5.5327 5.5327 6.2259 6.2259 6.2259 6.2259 6.3659 6.3659 6.3659 6.3659 7.0854 7.0854 7.0854 7.0854 8.2129 8.2129 8.2129 8.2129 8.9214 8.9214 8.9214 8.9214 11.2975 11.2975 11.2975 11.2975 12.2816 12.2816 12.2816 12.2816 12.4265 12.4265 k = 0.1667 0.0962 0.2598 ( 3960 PWs) bands (ev): -31.4118 -31.4118 -31.4118 -31.4118 -12.7019 -12.7019 -12.7019 -12.7019 -12.3418 -12.3418 -12.3418 -12.3418 -12.3067 -12.3067 -12.3067 -12.3067 -1.4764 -1.4764 -1.4764 -1.4764 4.8302 4.8302 4.8302 4.8302 5.2199 5.2199 5.2199 5.2199 5.5375 5.5375 5.5375 5.5375 6.2265 6.2265 6.2265 6.2265 6.3692 6.3692 6.3692 6.3692 7.1078 7.1078 7.1078 7.1078 8.1042 8.1042 8.1042 8.1042 8.8606 8.8606 8.8606 8.8606 11.2441 11.2441 11.2441 11.2441 12.2555 12.2555 12.2555 12.2555 12.4642 12.4642 k = 0.1778 0.1026 0.2598 ( 3952 PWs) bands (ev): -31.4116 -31.4116 -31.4116 -31.4116 -12.7027 -12.7027 -12.7027 -12.7027 -12.3425 -12.3425 -12.3425 -12.3425 -12.3082 -12.3082 -12.3082 -12.3082 -1.4514 -1.4514 -1.4514 -1.4514 4.8002 4.8002 4.8002 4.8002 5.2345 5.2345 5.2345 5.2345 5.5420 5.5420 5.5420 5.5420 6.2270 6.2270 6.2270 6.2270 6.3725 6.3725 6.3725 6.3725 7.1308 7.1308 7.1308 7.1308 7.9982 7.9982 7.9982 7.9982 8.7985 8.7985 8.7985 8.7985 11.1878 11.1878 11.1878 11.1878 12.2237 12.2237 12.2237 12.2237 12.5032 12.5032 k = 0.1889 0.1091 0.2598 ( 3952 PWs) bands (ev): -31.4114 -31.4114 -31.4114 -31.4114 -12.7036 -12.7036 -12.7036 -12.7036 -12.3432 -12.3432 -12.3432 -12.3432 -12.3097 -12.3097 -12.3097 -12.3097 -1.4253 -1.4253 -1.4253 -1.4253 4.7688 4.7688 4.7688 4.7688 5.2501 5.2501 5.2501 5.2501 5.5462 5.5462 5.5462 5.5462 6.2274 6.2274 6.2274 6.2274 6.3759 6.3759 6.3759 6.3759 7.1536 7.1536 7.1536 7.1536 7.8959 7.8959 7.8959 7.8959 8.7354 8.7354 8.7354 8.7354 11.1292 11.1292 11.1292 11.1292 12.1910 12.1910 12.1910 12.1910 12.5437 12.5437 k = 0.2000 0.1155 0.2598 ( 3960 PWs) bands (ev): -31.4112 -31.4112 -31.4112 -31.4112 -12.7045 -12.7045 -12.7045 -12.7045 -12.3439 -12.3439 -12.3439 -12.3439 -12.3112 -12.3112 -12.3112 -12.3112 -1.3980 -1.3980 -1.3980 -1.3980 4.7360 4.7360 4.7360 4.7360 5.2666 5.2666 5.2666 5.2666 5.5500 5.5500 5.5500 5.5500 6.2278 6.2278 6.2278 6.2278 6.3793 6.3793 6.3793 6.3793 7.1752 7.1752 7.1752 7.1752 7.7988 7.7988 7.7988 7.7988 8.6716 8.6716 8.6716 8.6716 11.0693 11.0693 11.0693 11.0693 12.1589 12.1589 12.1589 12.1589 12.5856 12.5856 k = 0.2111 0.1219 0.2598 ( 3958 PWs) bands (ev): -31.4110 -31.4110 -31.4110 -31.4110 -12.7055 -12.7055 -12.7055 -12.7055 -12.3448 -12.3448 -12.3448 -12.3448 -12.3127 -12.3127 -12.3127 -12.3127 -1.3698 -1.3698 -1.3698 -1.3698 4.7020 4.7020 4.7020 4.7020 5.2841 5.2841 5.2841 5.2841 5.5535 5.5535 5.5535 5.5535 6.2281 6.2281 6.2281 6.2281 6.3826 6.3826 6.3826 6.3826 7.1937 7.1937 7.1937 7.1937 7.7091 7.7091 7.7091 7.7091 8.6075 8.6075 8.6075 8.6075 11.0085 11.0085 11.0085 11.0085 12.1279 12.1279 12.1279 12.1279 12.6289 12.6289 k = 0.2222 0.1283 0.2598 ( 3954 PWs) bands (ev): -31.4107 -31.4107 -31.4107 -31.4107 -12.7065 -12.7065 -12.7065 -12.7065 -12.3457 -12.3457 -12.3457 -12.3457 -12.3140 -12.3140 -12.3140 -12.3140 -1.3407 -1.3407 -1.3407 -1.3407 4.6668 4.6668 4.6668 4.6668 5.3024 5.3024 5.3024 5.3024 5.5566 5.5566 5.5566 5.5566 6.2284 6.2284 6.2284 6.2284 6.3858 6.3858 6.3858 6.3858 7.2055 7.2055 7.2055 7.2055 7.6305 7.6305 7.6305 7.6305 8.5432 8.5432 8.5432 8.5432 10.9474 10.9474 10.9474 10.9474 12.0982 12.0982 12.0982 12.0982 12.6736 12.6736 k = 0.2333 0.1347 0.2598 ( 3962 PWs) bands (ev): -31.4105 -31.4105 -31.4105 -31.4105 -12.7075 -12.7075 -12.7075 -12.7075 -12.3467 -12.3467 -12.3467 -12.3467 -12.3154 -12.3154 -12.3154 -12.3154 -1.3107 -1.3107 -1.3107 -1.3107 4.6306 4.6306 4.6306 4.6306 5.3214 5.3214 5.3214 5.3214 5.5594 5.5594 5.5594 5.5594 6.2285 6.2285 6.2285 6.2285 6.3890 6.3890 6.3890 6.3890 7.2048 7.2048 7.2048 7.2048 7.5691 7.5691 7.5691 7.5691 8.4788 8.4788 8.4788 8.4788 10.8863 10.8863 10.8863 10.8863 12.0696 12.0696 12.0696 12.0696 12.7196 12.7196 k = 0.2444 0.1411 0.2598 ( 3966 PWs) bands (ev): -31.4103 -31.4103 -31.4103 -31.4103 -12.7086 -12.7086 -12.7086 -12.7086 -12.3478 -12.3478 -12.3478 -12.3478 -12.3166 -12.3166 -12.3166 -12.3166 -1.2801 -1.2801 -1.2801 -1.2801 4.5935 4.5935 4.5935 4.5935 5.3411 5.3411 5.3411 5.3411 5.5618 5.5618 5.5618 5.5618 6.2286 6.2286 6.2286 6.2286 6.3920 6.3920 6.3920 6.3920 7.1847 7.1847 7.1847 7.1847 7.5318 7.5318 7.5318 7.5318 8.4148 8.4148 8.4148 8.4148 10.8256 10.8256 10.8256 10.8256 12.0422 12.0422 12.0422 12.0422 12.7668 12.7668 k = 0.2556 0.1475 0.2598 ( 3968 PWs) bands (ev): -31.4101 -31.4101 -31.4101 -31.4101 -12.7096 -12.7096 -12.7096 -12.7096 -12.3490 -12.3490 -12.3490 -12.3490 -12.3177 -12.3177 -12.3177 -12.3177 -1.2490 -1.2490 -1.2490 -1.2490 4.5556 4.5556 4.5556 4.5556 5.3613 5.3613 5.3613 5.3613 5.5639 5.5639 5.5639 5.5639 6.2286 6.2286 6.2286 6.2286 6.3948 6.3948 6.3948 6.3948 7.1434 7.1434 7.1434 7.1434 7.5205 7.5205 7.5205 7.5205 8.3512 8.3512 8.3512 8.3512 10.7656 10.7656 10.7656 10.7656 12.0158 12.0158 12.0158 12.0158 12.8152 12.8152 k = 0.2667 0.1540 0.2598 ( 3956 PWs) bands (ev): -31.4098 -31.4098 -31.4098 -31.4098 -12.7107 -12.7107 -12.7107 -12.7107 -12.3502 -12.3502 -12.3502 -12.3502 -12.3188 -12.3188 -12.3188 -12.3188 -1.2174 -1.2174 -1.2174 -1.2174 4.5169 4.5169 4.5169 4.5169 5.3822 5.3822 5.3822 5.3822 5.5657 5.5657 5.5657 5.5657 6.2286 6.2286 6.2286 6.2286 6.3975 6.3975 6.3975 6.3975 7.0869 7.0869 7.0869 7.0869 7.5295 7.5295 7.5295 7.5295 8.2883 8.2883 8.2883 8.2883 10.7065 10.7065 10.7065 10.7065 11.9902 11.9902 11.9902 11.9902 12.8646 12.8646 k = 0.2778 0.1604 0.2598 ( 3956 PWs) bands (ev): -31.4096 -31.4096 -31.4096 -31.4096 -12.7118 -12.7118 -12.7118 -12.7118 -12.3515 -12.3515 -12.3515 -12.3515 -12.3197 -12.3197 -12.3197 -12.3197 -1.1855 -1.1855 -1.1855 -1.1855 4.4777 4.4777 4.4777 4.4777 5.4033 5.4033 5.4033 5.4033 5.5673 5.5673 5.5673 5.5673 6.2285 6.2285 6.2285 6.2285 6.3999 6.3999 6.3999 6.3999 7.0228 7.0228 7.0228 7.0228 7.5510 7.5510 7.5510 7.5510 8.2262 8.2262 8.2262 8.2262 10.6486 10.6486 10.6486 10.6486 11.9653 11.9653 11.9653 11.9653 12.9151 12.9151 k = 0.2889 0.1668 0.2598 ( 3950 PWs) bands (ev): -31.4094 -31.4094 -31.4094 -31.4094 -12.7128 -12.7128 -12.7128 -12.7128 -12.3528 -12.3528 -12.3528 -12.3528 -12.3205 -12.3205 -12.3205 -12.3205 -1.1535 -1.1535 -1.1535 -1.1535 4.4381 4.4381 4.4381 4.4381 5.4247 5.4247 5.4247 5.4247 5.5688 5.5688 5.5688 5.5688 6.2284 6.2284 6.2284 6.2284 6.4020 6.4020 6.4020 6.4020 6.9563 6.9563 6.9563 6.9563 7.5799 7.5799 7.5799 7.5799 8.1652 8.1652 8.1652 8.1652 10.5921 10.5921 10.5921 10.5921 11.9410 11.9410 11.9410 11.9410 12.9665 12.9665 k = 0.3000 0.1732 0.2598 ( 3950 PWs) bands (ev): -31.4091 -31.4091 -31.4091 -31.4091 -12.7139 -12.7139 -12.7139 -12.7139 -12.3542 -12.3542 -12.3542 -12.3542 -12.3213 -12.3213 -12.3213 -12.3213 -1.1215 -1.1215 -1.1215 -1.1215 4.3983 4.3983 4.3983 4.3983 5.4462 5.4462 5.4462 5.4462 5.5702 5.5702 5.5702 5.5702 6.2282 6.2282 6.2282 6.2282 6.4037 6.4037 6.4037 6.4037 6.8903 6.8903 6.8903 6.8903 7.6133 7.6133 7.6133 7.6133 8.1054 8.1054 8.1054 8.1054 10.5372 10.5372 10.5372 10.5372 11.9171 11.9171 11.9171 11.9171 13.0186 13.0186 k = 0.3111 0.1796 0.2598 ( 3954 PWs) bands (ev): -31.4089 -31.4089 -31.4089 -31.4089 -12.7150 -12.7150 -12.7150 -12.7150 -12.3556 -12.3556 -12.3556 -12.3556 -12.3220 -12.3220 -12.3220 -12.3220 -1.0897 -1.0897 -1.0897 -1.0897 4.3584 4.3584 4.3584 4.3584 5.4674 5.4674 5.4674 5.4674 5.5717 5.5717 5.5717 5.5717 6.2279 6.2279 6.2279 6.2279 6.4050 6.4050 6.4050 6.4050 6.8264 6.8264 6.8264 6.8264 7.6495 7.6495 7.6495 7.6495 8.0469 8.0469 8.0469 8.0469 10.4840 10.4840 10.4840 10.4840 11.8936 11.8936 11.8936 11.8936 13.0715 13.0715 k = 0.3222 0.1860 0.2598 ( 3948 PWs) bands (ev): -31.4087 -31.4087 -31.4087 -31.4087 -12.7160 -12.7160 -12.7160 -12.7160 -12.3569 -12.3569 -12.3569 -12.3569 -12.3226 -12.3226 -12.3226 -12.3226 -1.0582 -1.0582 -1.0582 -1.0582 4.3187 4.3187 4.3187 4.3187 5.4879 5.4879 5.4879 5.4879 5.5738 5.5738 5.5738 5.5738 6.2276 6.2276 6.2276 6.2276 6.4057 6.4057 6.4057 6.4057 6.7658 6.7658 6.7658 6.7658 7.6873 7.6873 7.6873 7.6873 7.9901 7.9901 7.9901 7.9901 10.4326 10.4326 10.4326 10.4326 11.8703 11.8703 11.8703 11.8703 13.1250 13.1250 k = 0.3333 0.1925 0.2598 ( 3948 PWs) bands (ev): -31.4085 -31.4085 -31.4085 -31.4085 -12.7171 -12.7171 -12.7171 -12.7171 -12.3583 -12.3583 -12.3583 -12.3583 -12.3232 -12.3232 -12.3232 -12.3232 -1.0273 -1.0273 -1.0273 -1.0273 4.2794 4.2794 4.2794 4.2794 5.5070 5.5070 5.5070 5.5070 5.5770 5.5770 5.5770 5.5770 6.2273 6.2273 6.2273 6.2273 6.4057 6.4057 6.4057 6.4057 6.7091 6.7091 6.7091 6.7091 7.7261 7.7261 7.7261 7.7261 7.9350 7.9350 7.9350 7.9350 10.3832 10.3832 10.3832 10.3832 11.8474 11.8474 11.8474 11.8474 13.1789 13.1789 k = 0.3444 0.1989 0.2598 ( 3948 PWs) bands (ev): -31.4083 -31.4083 -31.4083 -31.4083 -12.7181 -12.7181 -12.7181 -12.7181 -12.3597 -12.3597 -12.3597 -12.3597 -12.3236 -12.3236 -12.3236 -12.3236 -0.9971 -0.9971 -0.9971 -0.9971 4.2408 4.2408 4.2408 4.2408 5.5235 5.5235 5.5235 5.5235 5.5824 5.5824 5.5824 5.5824 6.2268 6.2268 6.2268 6.2268 6.4047 6.4047 6.4047 6.4047 6.6569 6.6569 6.6569 6.6569 7.7650 7.7650 7.7650 7.7650 7.8821 7.8821 7.8821 7.8821 10.3359 10.3359 10.3359 10.3359 11.8248 11.8248 11.8248 11.8248 13.2332 13.2332 k = 0.3556 0.2053 0.2598 ( 3952 PWs) bands (ev): -31.4081 -31.4081 -31.4081 -31.4081 -12.7191 -12.7191 -12.7191 -12.7191 -12.3610 -12.3610 -12.3610 -12.3610 -12.3241 -12.3241 -12.3241 -12.3241 -0.9678 -0.9678 -0.9678 -0.9678 4.2031 4.2031 4.2031 4.2031 5.5358 5.5358 5.5358 5.5358 5.5916 5.5916 5.5916 5.5916 6.2264 6.2264 6.2264 6.2264 6.4022 6.4022 6.4022 6.4022 6.6099 6.6099 6.6099 6.6099 7.8018 7.8018 7.8018 7.8018 7.8335 7.8335 7.8335 7.8335 10.2909 10.2909 10.2909 10.2909 11.8026 11.8026 11.8026 11.8026 13.2877 13.2877 k = 0.3667 0.2117 0.2598 ( 3960 PWs) bands (ev): -31.4080 -31.4080 -31.4080 -31.4080 -12.7200 -12.7200 -12.7200 -12.7200 -12.3623 -12.3623 -12.3623 -12.3623 -12.3244 -12.3244 -12.3244 -12.3244 -0.9396 -0.9396 -0.9396 -0.9396 4.1666 4.1666 4.1666 4.1666 5.5433 5.5433 5.5433 5.5433 5.6050 5.6050 5.6050 5.6050 6.2258 6.2258 6.2258 6.2258 6.3976 6.3976 6.3976 6.3976 6.5688 6.5688 6.5688 6.5688 7.7801 7.7801 7.7801 7.7801 7.8451 7.8451 7.8451 7.8451 10.2482 10.2482 10.2482 10.2482 11.7809 11.7809 11.7809 11.7809 13.3422 13.3422 k = 0.3778 0.2181 0.2598 ( 3958 PWs) bands (ev): -31.4078 -31.4078 -31.4078 -31.4078 -12.7209 -12.7209 -12.7209 -12.7209 -12.3635 -12.3635 -12.3635 -12.3635 -12.3247 -12.3247 -12.3247 -12.3247 -0.9127 -0.9127 -0.9127 -0.9127 4.1316 4.1316 4.1316 4.1316 5.5473 5.5473 5.5473 5.5473 5.6211 5.6211 5.6211 5.6211 6.2252 6.2252 6.2252 6.2252 6.3900 6.3900 6.3900 6.3900 6.5347 6.5347 6.5347 6.5347 7.7348 7.7348 7.7348 7.7348 7.8820 7.8820 7.8820 7.8820 10.2081 10.2081 10.2081 10.2081 11.7598 11.7598 11.7598 11.7598 13.3966 13.3966 k = 0.3889 0.2245 0.2598 ( 3956 PWs) bands (ev): -31.4076 -31.4076 -31.4076 -31.4076 -12.7217 -12.7217 -12.7217 -12.7217 -12.3646 -12.3646 -12.3646 -12.3646 -12.3250 -12.3250 -12.3250 -12.3250 -0.8872 -0.8872 -0.8872 -0.8872 4.0983 4.0983 4.0983 4.0983 5.5492 5.5492 5.5492 5.5492 5.6384 5.6384 5.6384 5.6384 6.2245 6.2245 6.2245 6.2245 6.3786 6.3786 6.3786 6.3786 6.5084 6.5084 6.5084 6.5084 7.6917 7.6917 7.6917 7.6917 7.9182 7.9182 7.9182 7.9182 10.1705 10.1705 10.1705 10.1705 11.7395 11.7395 11.7395 11.7395 13.4507 13.4507 k = 0.4000 0.2309 0.2598 ( 3952 PWs) bands (ev): -31.4075 -31.4075 -31.4075 -31.4075 -12.7225 -12.7225 -12.7225 -12.7225 -12.3656 -12.3656 -12.3656 -12.3656 -12.3252 -12.3252 -12.3252 -12.3252 -0.8635 -0.8635 -0.8635 -0.8635 4.0672 4.0672 4.0672 4.0672 5.5500 5.5500 5.5500 5.5500 5.6557 5.6557 5.6557 5.6557 6.2237 6.2237 6.2237 6.2237 6.3634 6.3634 6.3634 6.3634 6.4899 6.4899 6.4899 6.4899 7.6516 7.6516 7.6516 7.6516 7.9528 7.9528 7.9528 7.9528 10.1358 10.1358 10.1358 10.1358 11.7203 11.7203 11.7203 11.7203 13.5043 13.5043 k = 0.4111 0.2374 0.2598 ( 3948 PWs) bands (ev): -31.4074 -31.4074 -31.4074 -31.4074 -12.7232 -12.7232 -12.7232 -12.7232 -12.3666 -12.3666 -12.3666 -12.3666 -12.3254 -12.3254 -12.3254 -12.3254 -0.8417 -0.8417 -0.8417 -0.8417 4.0384 4.0384 4.0384 4.0384 5.5502 5.5502 5.5502 5.5502 5.6724 5.6724 5.6724 5.6724 6.2228 6.2228 6.2228 6.2228 6.3459 6.3459 6.3459 6.3459 6.4778 6.4778 6.4778 6.4778 7.6147 7.6147 7.6147 7.6147 7.9852 7.9852 7.9852 7.9852 10.1040 10.1040 10.1040 10.1040 11.7022 11.7022 11.7022 11.7022 13.5571 13.5571 k = 0.4222 0.2438 0.2598 ( 3956 PWs) bands (ev): -31.4073 -31.4073 -31.4073 -31.4073 -12.7238 -12.7238 -12.7238 -12.7238 -12.3675 -12.3675 -12.3675 -12.3675 -12.3256 -12.3256 -12.3256 -12.3256 -0.8220 -0.8220 -0.8220 -0.8220 4.0123 4.0123 4.0123 4.0123 5.5500 5.5500 5.5500 5.5500 5.6879 5.6879 5.6879 5.6879 6.2216 6.2216 6.2216 6.2216 6.3278 6.3278 6.3278 6.3278 6.4702 6.4702 6.4702 6.4702 7.5813 7.5813 7.5813 7.5813 8.0151 8.0151 8.0151 8.0151 10.0753 10.0753 10.0753 10.0753 11.6856 11.6856 11.6856 11.6856 13.6088 13.6088 k = 0.4333 0.2502 0.2598 ( 3952 PWs) bands (ev): -31.4072 -31.4072 -31.4072 -31.4072 -12.7244 -12.7244 -12.7244 -12.7244 -12.3682 -12.3682 -12.3682 -12.3682 -12.3257 -12.3257 -12.3257 -12.3257 -0.8044 -0.8044 -0.8044 -0.8044 3.9890 3.9890 3.9890 3.9890 5.5497 5.5497 5.5497 5.5497 5.7020 5.7020 5.7020 5.7020 6.2203 6.2203 6.2203 6.2203 6.3110 6.3110 6.3110 6.3110 6.4654 6.4654 6.4654 6.4654 7.5518 7.5518 7.5518 7.5518 8.0420 8.0420 8.0420 8.0420 10.0500 10.0500 10.0500 10.0500 11.6707 11.6707 11.6707 11.6707 13.6590 13.6590 k = 0.4444 0.2566 0.2598 ( 3946 PWs) bands (ev): -31.4071 -31.4071 -31.4071 -31.4071 -12.7248 -12.7248 -12.7248 -12.7248 -12.3689 -12.3689 -12.3689 -12.3689 -12.3258 -12.3258 -12.3258 -12.3258 -0.7893 -0.7893 -0.7893 -0.7893 3.9689 3.9689 3.9689 3.9689 5.5493 5.5493 5.5493 5.5493 5.7144 5.7144 5.7144 5.7144 6.2187 6.2187 6.2187 6.2187 6.2964 6.2964 6.2964 6.2964 6.4623 6.4623 6.4623 6.4623 7.5262 7.5262 7.5262 7.5262 8.0656 8.0656 8.0656 8.0656 10.0281 10.0281 10.0281 10.0281 11.6576 11.6576 11.6576 11.6576 13.7073 13.7074 k = 0.4556 0.2630 0.2598 ( 3954 PWs) bands (ev): -31.4070 -31.4070 -31.4070 -31.4070 -12.7252 -12.7252 -12.7252 -12.7252 -12.3694 -12.3694 -12.3694 -12.3694 -12.3259 -12.3259 -12.3259 -12.3259 -0.7767 -0.7767 -0.7767 -0.7767 3.9522 3.9522 3.9522 3.9522 5.5489 5.5489 5.5489 5.5489 5.7247 5.7247 5.7247 5.7247 6.2168 6.2168 6.2168 6.2168 6.2846 6.2846 6.2846 6.2846 6.4603 6.4603 6.4603 6.4603 7.5050 7.5050 7.5050 7.5050 8.0854 8.0854 8.0854 8.0854 10.0099 10.0099 10.0099 10.0099 11.6466 11.6466 11.6466 11.6466 13.7528 13.7529 k = 0.4667 0.2694 0.2598 ( 3952 PWs) bands (ev): -31.4069 -31.4069 -31.4069 -31.4069 -12.7255 -12.7255 -12.7255 -12.7255 -12.3699 -12.3699 -12.3699 -12.3699 -12.3259 -12.3259 -12.3259 -12.3259 -0.7668 -0.7668 -0.7668 -0.7668 3.9389 3.9389 3.9389 3.9389 5.5485 5.5485 5.5485 5.5485 5.7330 5.7330 5.7330 5.7330 6.2150 6.2150 6.2150 6.2150 6.2756 6.2756 6.2756 6.2756 6.4591 6.4591 6.4591 6.4591 7.4882 7.4882 7.4882 7.4882 8.1012 8.1012 8.1012 8.1012 9.9956 9.9956 9.9956 9.9956 11.6379 11.6379 11.6379 11.6379 13.7943 13.7943 k = 0.4778 0.2758 0.2598 ( 3952 PWs) bands (ev): -31.4069 -31.4069 -31.4069 -31.4069 -12.7258 -12.7258 -12.7258 -12.7258 -12.3702 -12.3702 -12.3702 -12.3702 -12.3260 -12.3260 -12.3260 -12.3260 -0.7597 -0.7597 -0.7597 -0.7597 3.9294 3.9294 3.9294 3.9294 5.5482 5.5482 5.5482 5.5482 5.7391 5.7391 5.7391 5.7391 6.2134 6.2134 6.2134 6.2134 6.2695 6.2695 6.2695 6.2695 6.4583 6.4583 6.4583 6.4583 7.4761 7.4761 7.4761 7.4761 8.1127 8.1127 8.1127 8.1127 9.9852 9.9852 9.9852 9.9852 11.6316 11.6316 11.6316 11.6316 13.8293 13.8293 k = 0.4889 0.2823 0.2598 ( 3952 PWs) bands (ev): -31.4069 -31.4069 -31.4069 -31.4069 -12.7259 -12.7259 -12.7259 -12.7259 -12.3704 -12.3704 -12.3704 -12.3704 -12.3260 -12.3260 -12.3260 -12.3260 -0.7554 -0.7554 -0.7554 -0.7554 3.9236 3.9236 3.9236 3.9236 5.5480 5.5480 5.5480 5.5480 5.7427 5.7427 5.7427 5.7427 6.2122 6.2122 6.2122 6.2122 6.2660 6.2660 6.2660 6.2660 6.4579 6.4579 6.4579 6.4579 7.4688 7.4688 7.4688 7.4688 8.1197 8.1197 8.1197 8.1197 9.9789 9.9789 9.9789 9.9789 11.6277 11.6277 11.6277 11.6277 13.8540 13.8540 k = 0.5000 0.2887 0.2598 ( 3944 PWs) bands (ev): -31.4069 -31.4069 -31.4069 -31.4069 -12.7259 -12.7259 -12.7259 -12.7259 -12.3704 -12.3704 -12.3704 -12.3704 -12.3260 -12.3260 -12.3260 -12.3260 -0.7539 -0.7539 -0.7539 -0.7539 3.9216 3.9216 3.9216 3.9216 5.5480 5.5480 5.5480 5.5480 5.7440 5.7440 5.7440 5.7440 6.2118 6.2118 6.2118 6.2118 6.2649 6.2649 6.2649 6.2649 6.4578 6.4578 6.4578 6.4578 7.4663 7.4663 7.4663 7.4663 8.1220 8.1220 8.1220 8.1220 9.9768 9.9768 9.9768 9.9768 11.6264 11.6264 11.6264 11.6264 13.8632 13.8632 k = 0.5000 0.2887 0.2598 ( 3944 PWs) bands (ev): -31.4069 -31.4069 -31.4069 -31.4069 -12.7259 -12.7259 -12.7259 -12.7259 -12.3704 -12.3704 -12.3704 -12.3704 -12.3260 -12.3260 -12.3260 -12.3260 -0.7539 -0.7539 -0.7539 -0.7539 3.9216 3.9216 3.9216 3.9216 5.5480 5.5480 5.5480 5.5480 5.7440 5.7440 5.7440 5.7440 6.2118 6.2118 6.2118 6.2118 6.2649 6.2649 6.2649 6.2649 6.4578 6.4578 6.4578 6.4578 7.4663 7.4663 7.4663 7.4663 8.1220 8.1220 8.1220 8.1220 9.9768 9.9768 9.9768 9.9768 11.6264 11.6264 11.6264 11.6264 13.8632 13.8632 k = 0.4936 0.2998 0.2598 ( 3950 PWs) bands (ev): -31.4069 -31.4069 -31.4069 -31.4069 -12.7260 -12.7260 -12.7259 -12.7259 -12.3704 -12.3704 -12.3703 -12.3703 -12.3261 -12.3261 -12.3261 -12.3261 -0.7536 -0.7536 -0.7535 -0.7535 3.9225 3.9225 3.9227 3.9227 5.5466 5.5466 5.5490 5.5490 5.7422 5.7422 5.7457 5.7457 6.2063 6.2063 6.2164 6.2164 6.2607 6.2607 6.2680 6.2680 6.4567 6.4567 6.4586 6.4586 7.4561 7.4561 7.4666 7.4666 8.1216 8.1216 8.1239 8.1239 9.9782 9.9782 9.9783 9.9783 11.6323 11.6323 11.6338 11.6338 13.8573 13.8574 k = 0.4872 0.3109 0.2598 ( 3958 PWs) bands (ev): -31.4069 -31.4069 -31.4069 -31.4069 -12.7260 -12.7260 -12.7259 -12.7259 -12.3704 -12.3704 -12.3703 -12.3703 -12.3263 -12.3263 -12.3263 -12.3263 -0.7525 -0.7525 -0.7522 -0.7522 3.9252 3.9252 3.9256 3.9256 5.5449 5.5449 5.5497 5.5497 5.7406 5.7406 5.7476 5.7476 6.2001 6.2001 6.2205 6.2205 6.2556 6.2556 6.2701 6.2701 6.4552 6.4552 6.4591 6.4591 7.4363 7.4363 7.4573 7.4573 8.1225 8.1225 8.1272 8.1272 9.9823 9.9823 9.9825 9.9825 11.6514 11.6514 11.6542 11.6542 13.8410 13.8412 k = 0.4808 0.3220 0.2598 ( 3962 PWs) bands (ev): -31.4069 -31.4069 -31.4069 -31.4069 -12.7261 -12.7261 -12.7259 -12.7259 -12.3703 -12.3703 -12.3701 -12.3701 -12.3266 -12.3266 -12.3266 -12.3266 -0.7507 -0.7507 -0.7503 -0.7503 3.9298 3.9298 3.9304 3.9304 5.5428 5.5428 5.5500 5.5500 5.7389 5.7389 5.7495 5.7495 6.1929 6.1929 6.2239 6.2239 6.2496 6.2496 6.2713 6.2713 6.4535 6.4535 6.4593 6.4593 7.4074 7.4074 7.4389 7.4389 8.1248 8.1248 8.1318 8.1318 9.9890 9.9890 9.9891 9.9891 11.6835 11.6835 11.6876 11.6876 13.8168 13.8170 k = 0.4744 0.3331 0.2598 ( 3954 PWs) bands (ev): -31.4068 -31.4068 -31.4068 -31.4068 -12.7261 -12.7261 -12.7259 -12.7259 -12.3701 -12.3701 -12.3699 -12.3699 -12.3270 -12.3270 -12.3270 -12.3270 -0.7481 -0.7481 -0.7475 -0.7475 3.9362 3.9362 3.9370 3.9370 5.5404 5.5404 5.5500 5.5500 5.7373 5.7373 5.7514 5.7514 6.1846 6.1846 6.2267 6.2267 6.2430 6.2430 6.2717 6.2717 6.4514 6.4514 6.4594 6.4594 7.3704 7.3704 7.4123 7.4123 8.1283 8.1283 8.1377 8.1377 9.9978 9.9978 9.9978 9.9978 11.7279 11.7279 11.7332 11.7332 13.7875 13.7876 k = 0.4679 0.3442 0.2598 ( 3958 PWs) bands (ev): -31.4068 -31.4068 -31.4068 -31.4068 -12.7262 -12.7262 -12.7259 -12.7259 -12.3700 -12.3700 -12.3697 -12.3697 -12.3275 -12.3275 -12.3275 -12.3275 -0.7448 -0.7448 -0.7441 -0.7441 3.9444 3.9444 3.9453 3.9453 5.5377 5.5377 5.5497 5.5497 5.7354 5.7354 5.7531 5.7531 6.1748 6.1748 6.2286 6.2286 6.2359 6.2359 6.2713 6.2713 6.4489 6.4489 6.4592 6.4592 7.3264 7.3264 7.3786 7.3786 8.1330 8.1330 8.1447 8.1447 10.0080 10.0080 10.0083 10.0083 11.7841 11.7841 11.7903 11.7903 13.7553 13.7554 k = 0.4615 0.3553 0.2598 ( 3958 PWs) bands (ev): -31.4068 -31.4068 -31.4068 -31.4068 -12.7262 -12.7262 -12.7259 -12.7259 -12.3697 -12.3697 -12.3695 -12.3695 -12.3282 -12.3282 -12.3281 -12.3281 -0.7408 -0.7408 -0.7400 -0.7400 3.9543 3.9543 3.9555 3.9555 5.5347 5.5347 5.5492 5.5492 5.7333 5.7333 5.7547 5.7547 6.1632 6.1632 6.2287 6.2287 6.2297 6.2297 6.2703 6.2703 6.4461 6.4461 6.4589 6.4589 7.2767 7.2767 7.3392 7.3392 8.1387 8.1387 8.1527 8.1527 10.0194 10.0194 10.0201 10.0201 11.8511 11.8511 11.8581 11.8581 13.7218 13.7218 k = 0.4551 0.3664 0.2598 ( 3958 PWs) bands (ev): -31.4068 -31.4068 -31.4068 -31.4068 -12.7263 -12.7263 -12.7260 -12.7260 -12.3695 -12.3695 -12.3691 -12.3691 -12.3289 -12.3289 -12.3289 -12.3289 -0.7362 -0.7362 -0.7352 -0.7352 3.9658 3.9658 3.9672 3.9672 5.5315 5.5315 5.5483 5.5483 5.7307 5.7307 5.7558 5.7558 6.1496 6.1496 6.2215 6.2215 6.2296 6.2296 6.2691 6.2691 6.4429 6.4429 6.4584 6.4584 7.2225 7.2225 7.2953 7.2953 8.1455 8.1455 8.1617 8.1617 10.0315 10.0315 10.0327 10.0327 11.9278 11.9278 11.9354 11.9354 13.6882 13.6883 k = 0.4487 0.3775 0.2598 ( 3958 PWs) bands (ev): -31.4067 -31.4067 -31.4067 -31.4067 -12.7263 -12.7263 -12.7260 -12.7260 -12.3691 -12.3691 -12.3688 -12.3688 -12.3297 -12.3297 -12.3297 -12.3297 -0.7309 -0.7309 -0.7298 -0.7298 3.9789 3.9789 3.9806 3.9806 5.5281 5.5281 5.5473 5.5473 5.7274 5.7274 5.7563 5.7563 6.1338 6.1338 6.2147 6.2147 6.2281 6.2281 6.2678 6.2678 6.4395 6.4395 6.4579 6.4579 7.1654 7.1654 7.2485 7.2485 8.1532 8.1532 8.1714 8.1714 10.0439 10.0439 10.0456 10.0456 12.0133 12.0133 12.0212 12.0212 13.6553 13.6556 k = 0.4423 0.3886 0.2598 ( 3962 PWs) bands (ev): -31.4067 -31.4067 -31.4067 -31.4067 -12.7264 -12.7264 -12.7260 -12.7260 -12.3688 -12.3688 -12.3684 -12.3684 -12.3307 -12.3307 -12.3306 -12.3306 -0.7251 -0.7251 -0.7239 -0.7239 3.9935 3.9935 3.9954 3.9954 5.5245 5.5245 5.5460 5.5460 5.7232 5.7232 5.7560 5.7560 6.1159 6.1159 6.2083 6.2083 6.2249 6.2249 6.2669 6.2669 6.4357 6.4357 6.4572 6.4572 7.1066 7.1066 7.1999 7.1999 8.1616 8.1616 8.1819 8.1819 10.0562 10.0562 10.0586 10.0586 12.1060 12.1060 12.1140 12.1140 13.6241 13.6246 k = 0.4359 0.3997 0.2598 ( 3964 PWs) bands (ev): -31.4066 -31.4066 -31.4066 -31.4066 -12.7265 -12.7265 -12.7261 -12.7261 -12.3684 -12.3684 -12.3680 -12.3680 -12.3316 -12.3316 -12.3316 -12.3316 -0.7189 -0.7189 -0.7175 -0.7175 4.0093 4.0093 4.0115 4.0115 5.5208 5.5208 5.5445 5.5445 5.7178 5.7178 5.7543 5.7543 6.0961 6.0961 6.2025 6.2025 6.2199 6.2199 6.2664 6.2664 6.4317 6.4317 6.4565 6.4565 7.0475 7.0475 7.1508 7.1508 8.1708 8.1708 8.1930 8.1930 10.0683 10.0683 10.0713 10.0713 12.2045 12.2045 12.2123 12.2123 13.5953 13.5954 k = 0.4295 0.4108 0.2598 ( 3960 PWs) bands (ev): -31.4066 -31.4066 -31.4066 -31.4066 -12.7266 -12.7266 -12.7261 -12.7261 -12.3680 -12.3680 -12.3675 -12.3675 -12.3327 -12.3327 -12.3326 -12.3326 -0.7122 -0.7122 -0.7107 -0.7107 4.0263 4.0263 4.0289 4.0289 5.5169 5.5169 5.5428 5.5428 5.7111 5.7111 5.7511 5.7511 6.0749 6.0749 6.1972 6.1972 6.2133 6.2133 6.2665 6.2665 6.4275 6.4275 6.4559 6.4559 6.9892 6.9892 7.1024 7.1024 8.1806 8.1806 8.2046 8.2046 10.0798 10.0798 10.0835 10.0835 12.3074 12.3074 12.3147 12.3147 13.5684 13.5691 k = 0.4231 0.4219 0.2598 ( 3960 PWs) bands (ev): -31.4065 -31.4065 -31.4065 -31.4065 -12.7267 -12.7267 -12.7262 -12.7262 -12.3676 -12.3676 -12.3670 -12.3670 -12.3337 -12.3337 -12.3337 -12.3337 -0.7051 -0.7051 -0.7036 -0.7036 4.0443 4.0443 4.0472 4.0472 5.5129 5.5129 5.5409 5.5409 5.7026 5.7026 5.7455 5.7455 6.0532 6.0532 6.1924 6.1924 6.2054 6.2054 6.2669 6.2669 6.4232 6.4232 6.4551 6.4551 6.9328 6.9328 7.0554 7.0554 8.1908 8.1908 8.2166 8.2166 10.0908 10.0908 10.0951 10.0951 12.4128 12.4128 12.4195 12.4195 13.5447 13.5456 k = 0.4167 0.4330 0.2598 ( 3956 PWs) bands (ev): -31.4065 -31.4065 -31.4065 -31.4065 -12.7268 -12.7268 -12.7262 -12.7262 -12.3671 -12.3671 -12.3665 -12.3665 -12.3348 -12.3348 -12.3348 -12.3348 -0.6979 -0.6979 -0.6962 -0.6962 4.0630 4.0630 4.0664 4.0664 5.5090 5.5090 5.5387 5.5387 5.6922 5.6922 5.7373 5.7373 6.0316 6.0316 6.1882 6.1882 6.1964 6.1964 6.2675 6.2675 6.4188 6.4188 6.4545 6.4545 6.8793 6.8793 7.0106 7.0106 8.2015 8.2015 8.2289 8.2289 10.1009 10.1009 10.1058 10.1058 12.5191 12.5191 12.5247 12.5247 13.5244 13.5256 k = 0.4103 0.4441 0.2598 ( 3952 PWs) bands (ev): -31.4064 -31.4064 -31.4064 -31.4064 -12.7269 -12.7269 -12.7263 -12.7263 -12.3666 -12.3666 -12.3659 -12.3659 -12.3360 -12.3360 -12.3360 -12.3360 -0.6904 -0.6904 -0.6886 -0.6886 4.0823 4.0823 4.0861 4.0861 5.5049 5.5049 5.5363 5.5363 5.6797 5.6797 5.7258 5.7258 6.0112 6.0112 6.1844 6.1844 6.1869 6.1869 6.2683 6.2683 6.4145 6.4145 6.4538 6.4538 6.8294 6.8294 6.9686 6.9686 8.2124 8.2124 8.2412 8.2412 10.1101 10.1101 10.1156 10.1156 12.6241 12.6241 12.6285 12.6285 13.5079 13.5087 k = 0.4038 0.4552 0.2598 ( 3944 PWs) bands (ev): -31.4064 -31.4064 -31.4064 -31.4064 -12.7269 -12.7269 -12.7264 -12.7264 -12.3661 -12.3661 -12.3654 -12.3654 -12.3371 -12.3371 -12.3371 -12.3371 -0.6828 -0.6828 -0.6810 -0.6810 4.1019 4.1019 4.1061 4.1061 5.5008 5.5008 5.5336 5.5336 5.6650 5.6650 5.7107 5.7107 5.9930 5.9930 6.1774 6.1774 6.1811 6.1811 6.2691 6.2691 6.4103 6.4103 6.4532 6.4532 6.7837 6.7837 6.9298 6.9298 8.2234 8.2234 8.2536 8.2536 10.1184 10.1184 10.1244 10.1244 12.7260 12.7260 12.7289 12.7289 13.4952 13.4961 k = 0.3974 0.4663 0.2598 ( 3940 PWs) bands (ev): -31.4063 -31.4063 -31.4063 -31.4063 -12.7270 -12.7270 -12.7264 -12.7264 -12.3656 -12.3656 -12.3648 -12.3648 -12.3383 -12.3383 -12.3382 -12.3382 -0.6753 -0.6753 -0.6734 -0.6734 4.1214 4.1214 4.1262 4.1262 5.4967 5.4967 5.5304 5.5304 5.6483 5.6483 5.6922 5.6922 5.9776 5.9776 6.1681 6.1681 6.1783 6.1783 6.2698 6.2698 6.4063 6.4063 6.4527 6.4527 6.7424 6.7424 6.8943 6.8943 8.2344 8.2344 8.2658 8.2658 10.1256 10.1256 10.1322 10.1322 12.8226 12.8226 12.8238 12.8238 13.4866 13.4869 k = 0.3910 0.4774 0.2598 ( 3936 PWs) bands (ev): -31.4063 -31.4063 -31.4063 -31.4063 -12.7271 -12.7271 -12.7265 -12.7265 -12.3651 -12.3651 -12.3643 -12.3643 -12.3394 -12.3394 -12.3393 -12.3393 -0.6680 -0.6680 -0.6659 -0.6659 4.1406 4.1406 4.1459 4.1459 5.4925 5.4925 5.5264 5.5264 5.6299 5.6299 5.6711 5.6711 5.9652 5.9652 6.1597 6.1597 6.1759 6.1759 6.2704 6.2704 6.4026 6.4026 6.4522 6.4522 6.7056 6.7056 6.8624 6.8624 8.2452 8.2452 8.2778 8.2778 10.1317 10.1317 10.1388 10.1388 12.9116 12.9116 12.9121 12.9121 13.4820 13.4829 k = 0.3846 0.4885 0.2598 ( 3932 PWs) bands (ev): -31.4062 -31.4062 -31.4062 -31.4062 -12.7272 -12.7272 -12.7266 -12.7266 -12.3647 -12.3647 -12.3637 -12.3637 -12.3405 -12.3405 -12.3403 -12.3403 -0.6608 -0.6608 -0.6587 -0.6587 4.1590 4.1590 4.1649 4.1649 5.4882 5.4882 5.5215 5.5215 5.6104 5.6104 5.6488 5.6488 5.9557 5.9557 6.1523 6.1523 6.1740 6.1740 6.2709 6.2709 6.3992 6.3992 6.4519 6.4519 6.6732 6.6732 6.8339 6.8339 8.2557 8.2557 8.2892 8.2892 10.1368 10.1368 10.1442 10.1442 12.9908 12.9908 12.9931 12.9931 13.4809 13.4816 k = 0.3782 0.4996 0.2598 ( 3936 PWs) bands (ev): -31.4062 -31.4062 -31.4062 -31.4062 -12.7274 -12.7274 -12.7267 -12.7267 -12.3642 -12.3642 -12.3632 -12.3632 -12.3415 -12.3415 -12.3413 -12.3413 -0.6541 -0.6541 -0.6519 -0.6519 4.1763 4.1763 4.1829 4.1829 5.4837 5.4837 5.5152 5.5152 5.5906 5.5906 5.6269 5.6269 5.9487 5.9487 6.1461 6.1461 6.1724 6.1724 6.2711 6.2711 6.3962 6.3962 6.4516 6.4516 6.6452 6.6452 6.8088 6.8088 8.2657 8.2657 8.3001 8.3001 10.1408 10.1408 10.1486 10.1486 13.0607 13.0607 13.0647 13.0647 13.4827 13.4831 k = 0.3718 0.5107 0.2598 ( 3932 PWs) bands (ev): -31.4062 -31.4062 -31.4062 -31.4062 -12.7274 -12.7274 -12.7267 -12.7267 -12.3638 -12.3638 -12.3627 -12.3627 -12.3424 -12.3424 -12.3422 -12.3422 -0.6478 -0.6478 -0.6456 -0.6456 4.1922 4.1922 4.1993 4.1993 5.4790 5.4790 5.5070 5.5070 5.5717 5.5717 5.6073 5.6073 5.9437 5.9437 6.1414 6.1414 6.1712 6.1712 6.2712 6.2712 6.3937 6.3937 6.4514 6.4514 6.6213 6.6213 6.7872 6.7872 8.2749 8.2749 8.3101 8.3101 10.1438 10.1438 10.1519 10.1519 13.1216 13.1216 13.1273 13.1273 13.4860 13.4865 k = 0.3654 0.5218 0.2598 ( 3944 PWs) bands (ev): -31.4061 -31.4061 -31.4061 -31.4061 -12.7276 -12.7276 -12.7269 -12.7269 -12.3635 -12.3635 -12.3623 -12.3623 -12.3433 -12.3433 -12.3430 -12.3430 -0.6422 -0.6422 -0.6399 -0.6399 4.2061 4.2061 4.2138 4.2138 5.4741 5.4741 5.4970 5.4970 5.5545 5.5545 5.5914 5.5914 5.9401 5.9401 6.1378 6.1378 6.1703 6.1703 6.2711 6.2711 6.3916 6.3916 6.4513 6.4513 6.6013 6.6013 6.7688 6.7688 8.2833 8.2833 8.3191 8.3191 10.1458 10.1458 10.1541 10.1541 13.1745 13.1745 13.1817 13.1817 13.4894 13.4896 k = 0.3590 0.5329 0.2598 ( 3940 PWs) bands (ev): -31.4061 -31.4061 -31.4061 -31.4061 -12.7276 -12.7276 -12.7269 -12.7269 -12.3632 -12.3632 -12.3620 -12.3620 -12.3440 -12.3440 -12.3437 -12.3437 -0.6372 -0.6372 -0.6349 -0.6349 4.2179 4.2179 4.2260 4.2260 5.4689 5.4689 5.4859 5.4859 5.5401 5.5401 5.5798 5.5798 5.9378 5.9378 6.1354 6.1354 6.1697 6.1697 6.2709 6.2709 6.3900 6.3900 6.4512 6.4512 6.5851 6.5851 6.7538 6.7538 8.2906 8.2906 8.3269 8.3269 10.1470 10.1470 10.1556 10.1556 13.2206 13.2206 13.2294 13.2294 13.4905 13.4907 k = 0.3526 0.5440 0.2598 ( 3948 PWs) bands (ev): -31.4061 -31.4061 -31.4061 -31.4061 -12.7277 -12.7277 -12.7270 -12.7270 -12.3629 -12.3629 -12.3617 -12.3617 -12.3446 -12.3446 -12.3442 -12.3442 -0.6332 -0.6332 -0.6308 -0.6308 4.2271 4.2271 4.2357 4.2357 5.4638 5.4638 5.4751 5.4751 5.5289 5.5289 5.5718 5.5718 5.9362 5.9362 6.1339 6.1339 6.1693 6.1693 6.2706 6.2706 6.3889 6.3889 6.4512 6.4512 6.5724 6.5724 6.7420 6.7420 8.2966 8.2966 8.3333 8.3333 10.1476 10.1476 10.1563 10.1563 13.2614 13.2614 13.2719 13.2719 13.4865 13.4869 k = 0.3462 0.5551 0.2598 ( 3946 PWs) bands (ev): -31.4061 -31.4061 -31.4061 -31.4061 -12.7278 -12.7278 -12.7270 -12.7270 -12.3628 -12.3628 -12.3615 -12.3615 -12.3450 -12.3450 -12.3446 -12.3446 -0.6302 -0.6302 -0.6278 -0.6278 4.2336 4.2336 4.2425 4.2425 5.4595 5.4595 5.4663 5.4663 5.5212 5.5212 5.5668 5.5668 5.9352 5.9352 6.1331 6.1331 6.1690 6.1690 6.2703 6.2703 6.3881 6.3881 6.4513 6.4513 6.5634 6.5634 6.7336 6.7336 8.3012 8.3012 8.3382 8.3382 10.1477 10.1477 10.1565 10.1565 13.2972 13.2972 13.3103 13.3103 13.4753 13.4758 k = 0.3397 0.5662 0.2598 ( 3954 PWs) bands (ev): -31.4061 -31.4061 -31.4061 -31.4061 -12.7278 -12.7278 -12.7271 -12.7271 -12.3627 -12.3627 -12.3613 -12.3613 -12.3453 -12.3453 -12.3449 -12.3449 -0.6283 -0.6283 -0.6259 -0.6259 4.2375 4.2375 4.2466 4.2466 5.4567 5.4567 5.4607 5.4607 5.5166 5.5166 5.5639 5.5639 5.9347 5.9347 6.1328 6.1328 6.1688 6.1688 6.2700 6.2700 6.3876 6.3876 6.4513 6.4513 6.5579 6.5579 6.7285 6.7285 8.3040 8.3040 8.3412 8.3412 10.1476 10.1476 10.1564 10.1564 13.3259 13.3259 13.3429 13.3429 13.4571 13.4576 k = 0.3333 0.5774 0.2598 ( 3954 PWs) bands (ev): -31.4061 -31.4061 -31.4061 -31.4061 -12.7279 -12.7279 -12.7271 -12.7271 -12.3626 -12.3626 -12.3613 -12.3613 -12.3454 -12.3454 -12.3449 -12.3449 -0.6276 -0.6276 -0.6252 -0.6252 4.2387 4.2387 4.2479 4.2479 5.4558 5.4558 5.4588 5.4588 5.5151 5.5151 5.5630 5.5630 5.9345 5.9345 6.1326 6.1326 6.1688 6.1688 6.2699 6.2699 6.3875 6.3875 6.4513 6.4513 6.5561 6.5561 6.7268 6.7268 8.3050 8.3050 8.3423 8.3423 10.1475 10.1475 10.1563 10.1563 13.3389 13.3389 13.3591 13.3591 13.4453 13.4462 k = 0.3333 0.5774 0.2598 ( 3954 PWs) bands (ev): -31.4061 -31.4061 -31.4061 -31.4061 -12.7279 -12.7279 -12.7271 -12.7271 -12.3626 -12.3626 -12.3613 -12.3613 -12.3454 -12.3454 -12.3449 -12.3449 -0.6276 -0.6276 -0.6252 -0.6252 4.2387 4.2387 4.2479 4.2479 5.4558 5.4558 5.4588 5.4588 5.5151 5.5151 5.5630 5.5630 5.9345 5.9345 6.1326 6.1326 6.1688 6.1688 6.2699 6.2699 6.3875 6.3875 6.4513 6.4513 6.5561 6.5561 6.7268 6.7268 8.3050 8.3050 8.3423 8.3423 10.1475 10.1475 10.1563 10.1563 13.3389 13.3389 13.3591 13.3591 13.4451 13.4451 k = 0.3269 0.5662 0.2598 ( 3950 PWs) bands (ev): -31.4061 -31.4061 -31.4061 -31.4061 -12.7278 -12.7278 -12.7271 -12.7271 -12.3627 -12.3627 -12.3613 -12.3613 -12.3453 -12.3453 -12.3449 -12.3449 -0.6283 -0.6283 -0.6259 -0.6259 4.2376 4.2376 4.2467 4.2467 5.4566 5.4566 5.4606 5.4606 5.5167 5.5167 5.5640 5.5640 5.9347 5.9347 6.1327 6.1327 6.1689 6.1689 6.2700 6.2700 6.3877 6.3877 6.4513 6.4513 6.5580 6.5580 6.7285 6.7285 8.3040 8.3040 8.3411 8.3411 10.1477 10.1477 10.1565 10.1565 13.3242 13.3242 13.3406 13.3406 13.4604 13.4605 k = 0.3205 0.5551 0.2598 ( 3954 PWs) bands (ev): -31.4061 -31.4061 -31.4061 -31.4061 -12.7278 -12.7278 -12.7271 -12.7271 -12.3627 -12.3627 -12.3614 -12.3614 -12.3451 -12.3451 -12.3447 -12.3447 -0.6305 -0.6305 -0.6281 -0.6281 4.2345 4.2345 4.2434 4.2434 5.4587 5.4587 5.4655 5.4655 5.5216 5.5216 5.5671 5.5671 5.9353 5.9353 6.1331 6.1331 6.1689 6.1689 6.2702 6.2702 6.3880 6.3880 6.4512 6.4512 6.5636 6.5636 6.7337 6.7337 8.3007 8.3007 8.3377 8.3377 10.1485 10.1485 10.1573 10.1573 13.2882 13.2882 13.2999 13.2999 13.4933 13.4933 k = 0.3141 0.5440 0.2598 ( 3952 PWs) bands (ev): -31.4061 -31.4061 -31.4061 -31.4061 -12.7277 -12.7277 -12.7270 -12.7270 -12.3628 -12.3628 -12.3616 -12.3616 -12.3447 -12.3447 -12.3443 -12.3443 -0.6342 -0.6342 -0.6318 -0.6318 4.2299 4.2299 4.2386 4.2386 5.4612 5.4612 5.4724 5.4724 5.5301 5.5301 5.5728 5.5728 5.9366 5.9366 6.1339 6.1339 6.1691 6.1691 6.2706 6.2706 6.3887 6.3887 6.4511 6.4511 6.5730 6.5730 6.7425 6.7425 8.2949 8.2949 8.3317 8.3317 10.1503 10.1503 10.1590 10.1590 13.2422 13.2422 13.2508 13.2508 13.5292 13.5301 k = 0.3077 0.5329 0.2598 ( 3948 PWs) bands (ev): -31.4061 -31.4061 -31.4061 -31.4061 -12.7276 -12.7276 -12.7269 -12.7269 -12.3629 -12.3629 -12.3617 -12.3617 -12.3442 -12.3442 -12.3439 -12.3439 -0.6396 -0.6396 -0.6373 -0.6373 4.2244 4.2244 4.2327 4.2327 5.4636 5.4636 5.4798 5.4798 5.5420 5.5420 5.5817 5.5817 5.9388 5.9388 6.1354 6.1354 6.1694 6.1694 6.2710 6.2710 6.3897 6.3897 6.4510 6.4510 6.5864 6.5864 6.7549 6.7549 8.2867 8.2867 8.3230 8.3230 10.1533 10.1533 10.1619 10.1619 13.1913 13.1913 13.1978 13.1978 13.5686 13.5694 k = 0.3013 0.5218 0.2598 ( 3940 PWs) bands (ev): -31.4062 -31.4062 -31.4062 -31.4062 -12.7274 -12.7274 -12.7267 -12.7267 -12.3630 -12.3630 -12.3618 -12.3618 -12.3437 -12.3437 -12.3433 -12.3433 -0.6467 -0.6467 -0.6444 -0.6444 4.2185 4.2185 4.2264 4.2264 5.4657 5.4657 5.4865 5.4865 5.5567 5.5567 5.5941 5.5941 5.9424 5.9424 6.1382 6.1382 6.1699 6.1699 6.2714 6.2714 6.3911 6.3911 6.4509 6.4509 6.6036 6.6036 6.7710 6.7710 8.2757 8.2757 8.3116 8.3116 10.1579 10.1579 10.1664 10.1664 13.1378 13.1378 13.1426 13.1426 13.6105 13.6113 k = 0.2949 0.5107 0.2598 ( 3940 PWs) bands (ev): -31.4062 -31.4062 -31.4062 -31.4062 -12.7272 -12.7272 -12.7265 -12.7265 -12.3630 -12.3630 -12.3619 -12.3619 -12.3430 -12.3430 -12.3427 -12.3427 -0.6556 -0.6556 -0.6534 -0.6534 4.2128 4.2128 4.2203 4.2203 5.4673 5.4673 5.4917 5.4917 5.5731 5.5731 5.6096 5.6096 5.9481 5.9481 6.1428 6.1428 6.1706 6.1706 6.2718 6.2718 6.3928 6.3928 6.4508 6.4508 6.6248 6.6248 6.7906 6.7906 8.2620 8.2620 8.2974 8.2974 10.1644 10.1644 10.1728 10.1728 13.0827 13.0827 13.0862 13.0862 13.6543 13.6560 k = 0.2885 0.4996 0.2598 ( 3934 PWs) bands (ev): -31.4063 -31.4063 -31.4063 -31.4063 -12.7269 -12.7269 -12.7263 -12.7263 -12.3630 -12.3630 -12.3619 -12.3619 -12.3423 -12.3423 -12.3420 -12.3420 -0.6664 -0.6664 -0.6642 -0.6642 4.2077 4.2077 4.2149 4.2149 5.4687 5.4687 5.4951 5.4951 5.5900 5.5900 5.6269 5.6269 5.9566 5.9566 6.1498 6.1498 6.1717 6.1717 6.2722 6.2722 6.3947 6.3947 6.4507 6.4507 6.6498 6.6498 6.8139 6.8139 8.2456 8.2456 8.2802 8.2802 10.1730 10.1730 10.1813 10.1813 13.0270 13.0270 13.0292 13.0292 13.6996 13.7001 k = 0.2821 0.4885 0.2598 ( 3938 PWs) bands (ev): -31.4063 -31.4063 -31.4063 -31.4063 -12.7266 -12.7266 -12.7260 -12.7260 -12.3629 -12.3629 -12.3619 -12.3619 -12.3416 -12.3416 -12.3413 -12.3413 -0.6789 -0.6789 -0.6768 -0.6768 4.2039 4.2039 4.2106 4.2106 5.4697 5.4697 5.4969 5.4969 5.6063 5.6063 5.6442 5.6442 5.9689 5.9689 6.1597 6.1597 6.1732 6.1732 6.2728 6.2728 6.3969 6.3969 6.4507 6.4507 6.6788 6.6788 6.8409 6.8409 8.2263 8.2263 8.2603 8.2603 10.1840 10.1840 10.1921 10.1921 12.9708 12.9708 12.9720 12.9720 13.7457 13.7473 k = 0.2756 0.4774 0.2598 ( 3934 PWs) bands (ev): -31.4064 -31.4064 -31.4064 -31.4064 -12.7263 -12.7263 -12.7256 -12.7256 -12.3628 -12.3628 -12.3618 -12.3618 -12.3408 -12.3408 -12.3406 -12.3406 -0.6934 -0.6934 -0.6913 -0.6913 4.2015 4.2015 4.2079 4.2079 5.4707 5.4707 5.4975 5.4975 5.6208 5.6208 5.6598 5.6598 5.9858 5.9858 6.1730 6.1730 6.1755 6.1755 6.2740 6.2740 6.3994 6.3994 6.4509 6.4509 6.7117 6.7117 6.8715 6.8715 8.2043 8.2043 8.2375 8.2375 10.1976 10.1976 10.2056 10.2056 12.9148 12.9148 12.9148 12.9148 13.7592 13.7601 k = 0.2692 0.4663 0.2598 ( 3938 PWs) bands (ev): -31.4065 -31.4065 -31.4065 -31.4065 -12.7259 -12.7259 -12.7253 -12.7253 -12.3626 -12.3626 -12.3617 -12.3617 -12.3400 -12.3400 -12.3398 -12.3398 -0.7097 -0.7097 -0.7077 -0.7077 4.2011 4.2011 4.2071 4.2071 5.4715 5.4715 5.4969 5.4969 5.6327 5.6327 5.6724 5.6724 6.0077 6.0077 6.1788 6.1788 6.1893 6.1893 6.2763 6.2763 6.4021 6.4021 6.4511 6.4511 6.7484 6.7484 6.9057 6.9057 8.1797 8.1797 8.2121 8.2121 10.2140 10.2140 10.2218 10.2218 12.8580 12.8580 12.8590 12.8590 13.7370 13.7374 k = 0.2628 0.4552 0.2598 ( 3938 PWs) bands (ev): -31.4066 -31.4066 -31.4066 -31.4066 -12.7254 -12.7254 -12.7248 -12.7248 -12.3624 -12.3624 -12.3615 -12.3615 -12.3391 -12.3391 -12.3390 -12.3390 -0.7278 -0.7278 -0.7259 -0.7259 4.2027 4.2027 4.2085 4.2085 5.4721 5.4721 5.4955 5.4955 5.6415 5.6415 5.6813 5.6813 6.0342 6.0342 6.1837 6.1837 6.2073 6.2073 6.2816 6.2816 6.4050 6.4050 6.4516 6.4516 6.7890 6.7890 6.9434 6.9434 8.1526 8.1526 8.1841 8.1841 10.2333 10.2333 10.2408 10.2408 12.8018 12.8018 12.8037 12.8037 13.7052 13.7054 k = 0.2564 0.4441 0.2598 ( 3934 PWs) bands (ev): -31.4067 -31.4067 -31.4067 -31.4067 -12.7249 -12.7249 -12.7243 -12.7243 -12.3620 -12.3620 -12.3612 -12.3612 -12.3382 -12.3382 -12.3381 -12.3381 -0.7476 -0.7476 -0.7458 -0.7458 4.2067 4.2067 4.2121 4.2121 5.4725 5.4725 5.4933 5.4933 5.6470 5.6470 5.6862 5.6862 6.0640 6.0640 6.1913 6.1913 6.2239 6.2239 6.2928 6.2928 6.4084 6.4084 6.4524 6.4524 6.8333 6.8333 6.9847 6.9847 8.1232 8.1232 8.1537 8.1537 10.2555 10.2555 10.2628 10.2628 12.7462 12.7462 12.7491 12.7491 13.6643 13.6655 k = 0.2500 0.4330 0.2598 ( 3942 PWs) bands (ev): -31.4069 -31.4069 -31.4069 -31.4069 -12.7244 -12.7244 -12.7238 -12.7238 -12.3616 -12.3616 -12.3608 -12.3608 -12.3373 -12.3373 -12.3372 -12.3372 -0.7692 -0.7692 -0.7675 -0.7675 4.2130 4.2130 4.2183 4.2183 5.4726 5.4726 5.4902 5.4902 5.6491 5.6491 5.6877 5.6877 6.0941 6.0941 6.2038 6.2038 6.2352 6.2352 6.3130 6.3130 6.4126 6.4126 6.4537 6.4537 6.8814 6.8814 7.0294 7.0294 8.0917 8.0917 8.1213 8.1213 10.2808 10.2808 10.2878 10.2878 12.6914 12.6914 12.6952 12.6952 13.6158 13.6172 k = 0.2436 0.4219 0.2598 ( 3938 PWs) bands (ev): -31.4070 -31.4070 -31.4070 -31.4070 -12.7237 -12.7237 -12.7232 -12.7232 -12.3611 -12.3611 -12.3604 -12.3604 -12.3364 -12.3364 -12.3363 -12.3363 -0.7923 -0.7923 -0.7907 -0.7907 4.2219 4.2219 4.2269 4.2269 5.4724 5.4724 5.4862 5.4862 5.6483 5.6483 5.6863 5.6863 6.1200 6.1200 6.2245 6.2245 6.2410 6.2410 6.3408 6.3408 6.4192 6.4192 6.4558 6.4558 6.9330 6.9330 7.0775 7.0775 8.0584 8.0584 8.0871 8.0871 10.3091 10.3091 10.3158 10.3158 12.6375 12.6375 12.6424 12.6424 13.5606 13.5619 k = 0.2372 0.4108 0.2598 ( 3942 PWs) bands (ev): -31.4072 -31.4072 -31.4072 -31.4072 -12.7230 -12.7230 -12.7225 -12.7225 -12.3605 -12.3605 -12.3599 -12.3599 -12.3355 -12.3355 -12.3354 -12.3354 -0.8170 -0.8170 -0.8155 -0.8155 4.2332 4.2332 4.2381 4.2381 5.4716 5.4716 5.4815 5.4815 5.6449 5.6449 5.6827 5.6827 6.1386 6.1386 6.2436 6.2436 6.2551 6.2551 6.3693 6.3693 6.4323 6.4323 6.4594 6.4594 6.9880 6.9880 7.1287 7.1287 8.0235 8.0235 8.0513 8.0513 10.3405 10.3405 10.3469 10.3469 12.5847 12.5847 12.5905 12.5905 13.5010 13.5012 k = 0.2308 0.3997 0.2598 ( 3946 PWs) bands (ev): -31.4073 -31.4073 -31.4073 -31.4073 -12.7223 -12.7223 -12.7218 -12.7218 -12.3599 -12.3599 -12.3593 -12.3593 -12.3345 -12.3345 -12.3345 -12.3345 -0.8431 -0.8431 -0.8416 -0.8416 4.2469 4.2469 4.2518 4.2518 5.4702 5.4702 5.4758 5.4758 5.6395 5.6395 5.6775 5.6775 6.1509 6.1509 6.2445 6.2445 6.2928 6.2928 6.3885 6.3885 6.4597 6.4597 6.4659 6.4659 7.0462 7.0462 7.1828 7.1828 7.9875 7.9875 8.0145 8.0145 10.3749 10.3749 10.3809 10.3809 12.5330 12.5330 12.5398 12.5398 13.4382 13.4383 k = 0.2244 0.3886 0.2598 ( 3960 PWs) bands (ev): -31.4075 -31.4075 -31.4075 -31.4075 -12.7216 -12.7216 -12.7211 -12.7211 -12.3592 -12.3592 -12.3586 -12.3586 -12.3336 -12.3336 -12.3335 -12.3335 -0.8704 -0.8704 -0.8691 -0.8691 4.2631 4.2631 4.2678 4.2678 5.4680 5.4680 5.4691 5.4691 5.6326 5.6326 5.6711 5.6711 6.1593 6.1593 6.2445 6.2445 6.3316 6.3316 6.3976 6.3976 6.4780 6.4780 6.5011 6.5011 7.1072 7.1072 7.2396 7.2396 7.9507 7.9507 7.9769 7.9769 10.4123 10.4123 10.4179 10.4179 12.4825 12.4825 12.4903 12.4903 13.3733 13.3735 k = 0.2179 0.3775 0.2598 ( 3960 PWs) bands (ev): -31.4077 -31.4077 -31.4077 -31.4077 -12.7207 -12.7207 -12.7203 -12.7203 -12.3584 -12.3584 -12.3579 -12.3579 -12.3326 -12.3326 -12.3325 -12.3325 -0.8990 -0.8990 -0.8977 -0.8977 4.2815 4.2815 4.2862 4.2862 5.4614 5.4614 5.4648 5.4648 5.6248 5.6248 5.6641 5.6641 6.1658 6.1658 6.2442 6.2442 6.3645 6.3645 6.4019 6.4019 6.5007 6.5007 6.5505 6.5505 7.1709 7.1709 7.2985 7.2985 7.9138 7.9138 7.9395 7.9395 10.4526 10.4526 10.4578 10.4578 12.4333 12.4333 12.4420 12.4420 13.3072 13.3075 k = 0.2115 0.3664 0.2598 ( 3952 PWs) bands (ev): -31.4079 -31.4079 -31.4078 -31.4078 -12.7198 -12.7198 -12.7194 -12.7194 -12.3576 -12.3576 -12.3571 -12.3571 -12.3315 -12.3315 -12.3315 -12.3315 -0.9285 -0.9285 -0.9274 -0.9274 4.3021 4.3021 4.3068 4.3068 5.4528 5.4528 5.4605 5.4605 5.6166 5.6166 5.6567 5.6567 6.1712 6.1712 6.2437 6.2437 6.3864 6.3864 6.4043 6.4043 6.5379 6.5379 6.6046 6.6046 7.2365 7.2365 7.3588 7.3588 7.8772 7.8772 7.9028 7.9028 10.4957 10.4957 10.5005 10.5005 12.3855 12.3855 12.3952 12.3952 13.2407 13.2409 k = 0.2051 0.3553 0.2598 ( 3960 PWs) bands (ev): -31.4081 -31.4081 -31.4080 -31.4080 -12.7189 -12.7189 -12.7185 -12.7185 -12.3567 -12.3567 -12.3562 -12.3562 -12.3305 -12.3305 -12.3305 -12.3305 -0.9589 -0.9589 -0.9579 -0.9579 4.3246 4.3246 4.3294 4.3294 5.4431 5.4431 5.4548 5.4548 5.6084 5.6084 5.6492 5.6492 6.1759 6.1759 6.2430 6.2430 6.3983 6.3983 6.4056 6.4056 6.5878 6.5878 6.6621 6.6621 7.3031 7.3031 7.4192 7.4192 7.8422 7.8422 7.8685 7.8685 10.5416 10.5416 10.5459 10.5459 12.3391 12.3391 12.3498 12.3498 13.1741 13.1741 k = 0.1987 0.3442 0.2598 ( 3952 PWs) bands (ev): -31.4082 -31.4082 -31.4082 -31.4082 -12.7179 -12.7179 -12.7176 -12.7176 -12.3557 -12.3557 -12.3553 -12.3553 -12.3294 -12.3294 -12.3294 -12.3294 -0.9901 -0.9901 -0.9891 -0.9891 4.3490 4.3490 4.3538 4.3538 5.4325 5.4325 5.4476 5.4476 5.6007 5.6007 5.6418 5.6418 6.1804 6.1804 6.2422 6.2422 6.4041 6.4041 6.4062 6.4062 6.6461 6.6461 6.7224 6.7224 7.3692 7.3692 7.4773 7.4773 7.8102 7.8102 7.8391 7.8391 10.5901 10.5901 10.5940 10.5940 12.2942 12.2942 12.3058 12.3058 13.1081 13.1082 k = 0.1923 0.3331 0.2598 ( 3956 PWs) bands (ev): -31.4085 -31.4085 -31.4085 -31.4085 -12.7170 -12.7170 -12.7166 -12.7166 -12.3548 -12.3548 -12.3544 -12.3544 -12.3283 -12.3283 -12.3283 -12.3283 -1.0218 -1.0218 -1.0210 -1.0210 4.3750 4.3750 4.3799 4.3799 5.4208 5.4208 5.4388 5.4388 5.5935 5.5935 5.6346 5.6346 6.1846 6.1846 6.2415 6.2415 6.4063 6.4063 6.4067 6.4067 6.7096 6.7096 6.7851 6.7851 7.4320 7.4320 7.5280 7.5280 7.7844 7.7844 7.8197 7.8197 10.6411 10.6411 10.6445 10.6445 12.2508 12.2508 12.2635 12.2635 13.0431 13.0432 k = 0.1859 0.3220 0.2598 ( 3954 PWs) bands (ev): -31.4087 -31.4087 -31.4087 -31.4087 -12.7159 -12.7159 -12.7156 -12.7156 -12.3538 -12.3538 -12.3534 -12.3534 -12.3272 -12.3272 -12.3271 -12.3271 -1.0540 -1.0540 -1.0532 -1.0532 4.4025 4.4025 4.4075 4.4075 5.4083 5.4083 5.4285 5.4285 5.5872 5.5872 5.6276 5.6276 6.1886 6.1886 6.2407 6.2407 6.4059 6.4059 6.4074 6.4074 6.7768 6.7768 6.8498 6.8498 7.4855 7.4855 7.5625 7.5625 7.7709 7.7709 7.8193 7.8193 10.6945 10.6945 10.6974 10.6974 12.2091 12.2091 12.2227 12.2227 12.9794 12.9796 k = 0.1795 0.3109 0.2598 ( 3954 PWs) bands (ev): -31.4089 -31.4089 -31.4089 -31.4089 -12.7149 -12.7149 -12.7146 -12.7146 -12.3528 -12.3528 -12.3524 -12.3524 -12.3260 -12.3260 -12.3259 -12.3259 -1.0865 -1.0865 -1.0858 -1.0858 4.4312 4.4312 4.4364 4.4364 5.3949 5.3949 5.4167 5.4167 5.5816 5.5816 5.6209 5.6209 6.1924 6.1924 6.2399 6.2399 6.4051 6.4051 6.4069 6.4069 6.8465 6.8465 6.9161 6.9161 7.5205 7.5205 7.5732 7.5732 7.7792 7.7792 7.8457 7.8457 10.7502 10.7502 10.7526 10.7526 12.1691 12.1691 12.1836 12.1836 12.9171 12.9171 k = 0.1731 0.2998 0.2598 ( 3954 PWs) bands (ev): -31.4091 -31.4091 -31.4091 -31.4091 -12.7138 -12.7138 -12.7136 -12.7136 -12.3517 -12.3517 -12.3514 -12.3514 -12.3247 -12.3247 -12.3247 -12.3247 -1.1192 -1.1192 -1.1185 -1.1185 4.4610 4.4610 4.4663 4.4663 5.3810 5.3810 5.4036 5.4036 5.5767 5.5767 5.6144 5.6144 6.1960 6.1960 6.2392 6.2392 6.4039 6.4039 6.4056 6.4056 6.9179 6.9179 6.9831 6.9831 7.5316 7.5316 7.5639 7.5639 7.8154 7.8154 7.8958 7.8958 10.8080 10.8080 10.8098 10.8098 12.1308 12.1308 12.1462 12.1462 12.8566 12.8567 k = 0.1667 0.2887 0.2598 ( 3950 PWs) bands (ev): -31.4093 -31.4093 -31.4093 -31.4093 -12.7128 -12.7128 -12.7125 -12.7125 -12.3507 -12.3507 -12.3504 -12.3504 -12.3234 -12.3234 -12.3234 -12.3234 -1.1518 -1.1518 -1.1512 -1.1512 4.4916 4.4916 4.4971 4.4971 5.3665 5.3665 5.3895 5.3895 5.5725 5.5725 5.6082 5.6082 6.1995 6.1995 6.2384 6.2384 6.4024 6.4024 6.4038 6.4038 6.9900 6.9900 7.0497 7.0497 7.5261 7.5261 7.5446 7.5446 7.8736 7.8736 7.9601 7.9601 10.8676 10.8676 10.8689 10.8689 12.0945 12.0945 12.1107 12.1107 12.7981 12.7983 k = 0.1603 0.2776 0.2598 ( 3950 PWs) bands (ev): -31.4096 -31.4096 -31.4096 -31.4096 -12.7117 -12.7117 -12.7115 -12.7115 -12.3497 -12.3497 -12.3495 -12.3495 -12.3221 -12.3221 -12.3221 -12.3221 -1.1844 -1.1844 -1.1838 -1.1838 4.5229 4.5229 4.5285 4.5285 5.3516 5.3516 5.3746 5.3746 5.5687 5.5687 5.6022 5.6022 6.2028 6.2028 6.2376 6.2376 6.4005 6.4005 6.4015 6.4015 7.0609 7.0609 7.1132 7.1132 7.5158 7.5158 7.5237 7.5237 7.9442 7.9442 8.0321 8.0321 10.9288 10.9288 10.9296 10.9296 12.0601 12.0601 12.0772 12.0772 12.7417 12.7418 k = 0.1538 0.2665 0.2598 ( 3946 PWs) bands (ev): -31.4098 -31.4098 -31.4098 -31.4098 -12.7106 -12.7106 -12.7104 -12.7104 -12.3487 -12.3487 -12.3485 -12.3485 -12.3207 -12.3207 -12.3207 -12.3207 -1.2166 -1.2166 -1.2162 -1.2162 4.5547 4.5547 4.5605 4.5605 5.3364 5.3364 5.3592 5.3592 5.5653 5.5653 5.5964 5.5964 6.2059 6.2059 6.2368 6.2368 6.3984 6.3984 6.3988 6.3988 7.1273 7.1273 7.1692 7.1692 7.5075 7.5075 7.5110 7.5110 8.0213 8.0213 8.1083 8.1083 10.9915 10.9915 10.9917 10.9917 12.0278 12.0278 12.0456 12.0456 12.6877 12.6877 k = 0.1474 0.2554 0.2598 ( 3950 PWs) bands (ev): -31.4100 -31.4100 -31.4100 -31.4100 -12.7096 -12.7096 -12.7094 -12.7094 -12.3478 -12.3478 -12.3476 -12.3476 -12.3193 -12.3193 -12.3193 -12.3193 -1.2485 -1.2485 -1.2481 -1.2481 4.5867 4.5867 4.5927 4.5927 5.3211 5.3211 5.3433 5.3433 5.5621 5.5621 5.5907 5.5907 6.2087 6.2087 6.2360 6.2360 6.3958 6.3958 6.3960 6.3960 7.1828 7.1828 7.2104 7.2104 7.5041 7.5041 7.5218 7.5218 8.1019 8.1019 8.1870 8.1870 11.0549 11.0549 11.0552 11.0552 11.9977 11.9977 12.0162 12.0162 12.6360 12.6361 k = 0.1410 0.2443 0.2598 ( 3958 PWs) bands (ev): -31.4103 -31.4103 -31.4103 -31.4103 -12.7085 -12.7085 -12.7084 -12.7084 -12.3468 -12.3468 -12.3467 -12.3467 -12.3179 -12.3179 -12.3179 -12.3179 -1.2799 -1.2799 -1.2796 -1.2796 4.6188 4.6188 4.6249 4.6249 5.3057 5.3057 5.3272 5.3272 5.5590 5.5590 5.5850 5.5850 6.2113 6.2113 6.2351 6.2351 6.3927 6.3927 6.3933 6.3933 7.2184 7.2184 7.2304 7.2304 7.5233 7.5233 7.5559 7.5559 8.1845 8.1845 8.2672 8.2672 11.1187 11.1187 11.1196 11.1196 11.9700 11.9700 11.9890 11.9890 12.5870 12.5870 k = 0.1346 0.2332 0.2598 ( 3952 PWs) bands (ev): -31.4105 -31.4105 -31.4105 -31.4105 -12.7075 -12.7075 -12.7073 -12.7073 -12.3459 -12.3459 -12.3458 -12.3458 -12.3164 -12.3164 -12.3163 -12.3163 -1.3107 -1.3107 -1.3104 -1.3104 4.6508 4.6508 4.6572 4.6572 5.2904 5.2904 5.3112 5.3112 5.5559 5.5559 5.5794 5.5794 6.2137 6.2137 6.2343 6.2343 6.3894 6.3894 6.3905 6.3905 7.2300 7.2300 7.2308 7.2308 7.5699 7.5699 7.6127 7.6127 8.2681 8.2681 8.3480 8.3480 11.1828 11.1828 11.1843 11.1843 11.9448 11.9448 11.9643 11.9643 12.5408 12.5413 k = 0.1282 0.2221 0.2598 ( 3946 PWs) bands (ev): -31.4107 -31.4107 -31.4107 -31.4107 -12.7064 -12.7064 -12.7063 -12.7063 -12.3451 -12.3451 -12.3450 -12.3450 -12.3148 -12.3148 -12.3148 -12.3148 -1.3408 -1.3408 -1.3405 -1.3405 4.6827 4.6827 4.6892 4.6892 5.2755 5.2755 5.2953 5.2953 5.5526 5.5526 5.5737 5.5737 6.2159 6.2159 6.2334 6.2334 6.3859 6.3859 6.3875 6.3875 7.2184 7.2184 7.2230 7.2230 7.6384 7.6384 7.6857 7.6857 8.3520 8.3520 8.4290 8.4290 11.2464 11.2464 11.2485 11.2485 11.9224 11.9224 11.9423 11.9423 12.4975 12.4977 k = 0.1218 0.2110 0.2598 ( 3942 PWs) bands (ev): -31.4109 -31.4109 -31.4109 -31.4109 -12.7054 -12.7054 -12.7053 -12.7053 -12.3443 -12.3443 -12.3442 -12.3442 -12.3132 -12.3132 -12.3132 -12.3132 -1.3700 -1.3700 -1.3697 -1.3697 4.7141 4.7141 4.7207 4.7207 5.2607 5.2607 5.2796 5.2796 5.5493 5.5493 5.5681 5.5681 6.2177 6.2177 6.2325 6.2325 6.3824 6.3824 6.3843 6.3843 7.1992 7.1992 7.2059 7.2059 7.7207 7.7207 7.7690 7.7690 8.4356 8.4356 8.5097 8.5097 11.3087 11.3087 11.3115 11.3115 11.9030 11.9030 11.9230 11.9230 12.4574 12.4575 k = 0.1154 0.1999 0.2598 ( 3950 PWs) bands (ev): -31.4112 -31.4112 -31.4112 -31.4112 -12.7045 -12.7045 -12.7044 -12.7044 -12.3436 -12.3436 -12.3435 -12.3435 -12.3116 -12.3116 -12.3116 -12.3116 -1.3983 -1.3983 -1.3981 -1.3981 4.7449 4.7449 4.7517 4.7517 5.2464 5.2464 5.2643 5.2643 5.5457 5.5457 5.5623 5.5623 6.2192 6.2192 6.2316 6.2316 6.3789 6.3789 6.3810 6.3810 7.1768 7.1768 7.1839 7.1839 7.8115 7.8115 7.8592 7.8592 8.5184 8.5184 8.5894 8.5894 11.3686 11.3686 11.3722 11.3722 11.8869 11.8869 11.9069 11.9069 12.4206 12.4208 k = 0.1090 0.1887 0.2598 ( 3946 PWs) bands (ev): -31.4114 -31.4114 -31.4114 -31.4114 -12.7036 -12.7036 -12.7035 -12.7035 -12.3429 -12.3429 -12.3428 -12.3428 -12.3100 -12.3100 -12.3100 -12.3100 -1.4255 -1.4255 -1.4253 -1.4253 4.7750 4.7750 4.7819 4.7819 5.2326 5.2326 5.2495 5.2495 5.5420 5.5420 5.5565 5.5565 6.2205 6.2205 6.2307 6.2307 6.3753 6.3753 6.3776 6.3776 7.1533 7.1533 7.1601 7.1601 7.9080 7.9080 7.9543 7.9543 8.6001 8.6001 8.6680 8.6680 11.4247 11.4247 11.4293 11.4293 11.8748 11.8748 11.8945 11.8945 12.3877 12.3878 k = 0.1026 0.1776 0.2598 ( 3960 PWs) bands (ev): -31.4116 -31.4116 -31.4116 -31.4116 -12.7027 -12.7027 -12.7027 -12.7027 -12.3423 -12.3423 -12.3423 -12.3423 -12.3084 -12.3084 -12.3084 -12.3084 -1.4517 -1.4517 -1.4515 -1.4515 4.8043 4.8043 4.8112 4.8112 5.2194 5.2194 5.2352 5.2352 5.5380 5.5380 5.5506 5.5506 6.2214 6.2214 6.2297 6.2297 6.3718 6.3718 6.3741 6.3741 7.1294 7.1294 7.1357 7.1357 8.0086 8.0086 8.0532 8.0532 8.6801 8.6801 8.7448 8.7448 11.4750 11.4750 11.4807 11.4807 11.8672 11.8672 11.8862 11.8862 12.3590 12.3591 k = 0.0962 0.1665 0.2598 ( 3960 PWs) bands (ev): -31.4118 -31.4118 -31.4118 -31.4118 -12.7019 -12.7019 -12.7018 -12.7018 -12.3417 -12.3417 -12.3417 -12.3417 -12.3069 -12.3069 -12.3068 -12.3068 -1.4766 -1.4766 -1.4765 -1.4765 4.8325 4.8325 4.8394 4.8394 5.2070 5.2070 5.2217 5.2217 5.5338 5.5338 5.5446 5.5446 6.2222 6.2222 6.2287 6.2287 6.3684 6.3684 6.3707 6.3707 7.1061 7.1061 7.1116 7.1116 8.1124 8.1124 8.1551 8.1551 8.7582 8.7582 8.8196 8.8196 11.5173 11.5173 11.5244 11.5244 11.8648 11.8648 11.8828 11.8828 12.3348 12.3348 k = 0.0897 0.1554 0.2598 ( 3960 PWs) bands (ev): -31.4120 -31.4120 -31.4120 -31.4120 -12.7011 -12.7011 -12.7010 -12.7010 -12.3412 -12.3412 -12.3412 -12.3412 -12.3053 -12.3053 -12.3053 -12.3053 -1.5003 -1.5003 -1.5002 -1.5002 4.8596 4.8596 4.8664 4.8664 5.1954 5.1954 5.2090 5.2090 5.5293 5.5293 5.5385 5.5385 6.2227 6.2227 6.2277 6.2277 6.3651 6.3651 6.3673 6.3673 7.0836 7.0836 7.0884 7.0884 8.2187 8.2187 8.2593 8.2593 8.8337 8.8337 8.8918 8.8918 11.5489 11.5489 11.5576 11.5576 11.8683 11.8683 11.8848 11.8848 12.3155 12.3156 k = 0.0833 0.1443 0.2598 ( 3958 PWs) bands (ev): -31.4122 -31.4122 -31.4122 -31.4122 -12.7003 -12.7003 -12.7003 -12.7003 -12.3407 -12.3407 -12.3407 -12.3407 -12.3038 -12.3038 -12.3037 -12.3037 -1.5226 -1.5226 -1.5225 -1.5225 4.8854 4.8854 4.8920 4.8920 5.1848 5.1848 5.1972 5.1972 5.5247 5.5247 5.5323 5.5323 6.2229 6.2229 6.2268 6.2268 6.3619 6.3619 6.3640 6.3640 7.0623 7.0623 7.0663 7.0663 8.3268 8.3268 8.3654 8.3654 8.9065 8.9065 8.9611 8.9611 11.5678 11.5678 11.5780 11.5780 11.8774 11.8774 11.8924 11.8924 12.3011 12.3014 k = 0.0769 0.1332 0.2598 ( 3958 PWs) bands (ev): -31.4124 -31.4124 -31.4124 -31.4124 -12.6996 -12.6996 -12.6996 -12.6996 -12.3403 -12.3403 -12.3402 -12.3402 -12.3023 -12.3023 -12.3023 -12.3023 -1.5436 -1.5436 -1.5435 -1.5435 4.9096 4.9096 4.9160 4.9160 5.1753 5.1753 5.1865 5.1865 5.5198 5.5198 5.5261 5.5261 6.2230 6.2230 6.2258 6.2258 6.3589 6.3589 6.3608 6.3608 7.0422 7.0422 7.0454 7.0454 8.4362 8.4362 8.4728 8.4728 8.9760 8.9760 9.0270 9.0270 11.5731 11.5731 11.5844 11.5844 11.8912 11.8912 11.9046 11.9046 12.2904 12.2913 k = 0.0705 0.1221 0.2598 ( 3962 PWs) bands (ev): -31.4125 -31.4125 -31.4125 -31.4125 -12.6990 -12.6990 -12.6989 -12.6989 -12.3399 -12.3399 -12.3399 -12.3399 -12.3009 -12.3009 -12.3009 -12.3009 -1.5630 -1.5630 -1.5630 -1.5630 4.9321 4.9321 4.9381 4.9381 5.1670 5.1670 5.1770 5.1770 5.5149 5.5149 5.5199 5.5199 6.2228 6.2228 6.2249 6.2249 6.3560 6.3560 6.3577 6.3577 7.0234 7.0234 7.0261 7.0261 8.5462 8.5462 8.5807 8.5807 9.0417 9.0417 9.0891 9.0891 11.5648 11.5648 11.5766 11.5766 11.9079 11.9079 11.9201 11.9201 12.2812 12.2834 k = 0.0641 0.1110 0.2598 ( 3966 PWs) bands (ev): -31.4127 -31.4127 -31.4127 -31.4127 -12.6984 -12.6984 -12.6984 -12.6984 -12.3395 -12.3395 -12.3395 -12.3395 -12.2995 -12.2995 -12.2995 -12.2995 -1.5810 -1.5810 -1.5810 -1.5810 4.9526 4.9526 4.9581 4.9581 5.1602 5.1602 5.1689 5.1689 5.5098 5.5098 5.5137 5.5137 6.2226 6.2226 6.2240 6.2240 6.3534 6.3534 6.3548 6.3548 7.0062 7.0062 7.0082 7.0082 8.6562 8.6562 8.6886 8.6886 9.1035 9.1035 9.1470 9.1470 11.5437 11.5437 11.5553 11.5553 11.9263 11.9263 11.9377 11.9377 12.2708 12.2751 k = 0.0577 0.0999 0.2598 ( 3964 PWs) bands (ev): -31.4128 -31.4128 -31.4128 -31.4128 -12.6978 -12.6978 -12.6978 -12.6978 -12.3392 -12.3392 -12.3392 -12.3392 -12.2983 -12.2983 -12.2983 -12.2983 -1.5974 -1.5974 -1.5974 -1.5974 4.9710 4.9710 4.9759 4.9759 5.1549 5.1549 5.1623 5.1623 5.5047 5.5047 5.5077 5.5077 6.2222 6.2222 6.2232 6.2232 6.3510 6.3510 6.3521 6.3521 6.9905 6.9905 6.9920 6.9920 8.7654 8.7654 8.7955 8.7955 9.1607 9.1607 9.2003 9.2003 11.5108 11.5108 11.5214 11.5214 11.9462 11.9462 11.9568 11.9568 12.2562 12.2621 k = 0.0513 0.0888 0.2598 ( 3968 PWs) bands (ev): -31.4129 -31.4129 -31.4129 -31.4129 -12.6974 -12.6974 -12.6973 -12.6973 -12.3390 -12.3390 -12.3390 -12.3390 -12.2972 -12.2972 -12.2972 -12.2972 -1.6122 -1.6122 -1.6121 -1.6121 4.9870 4.9870 4.9910 4.9910 5.1513 5.1513 5.1573 5.1573 5.4996 5.4996 5.5019 5.5019 6.2218 6.2218 6.2224 6.2224 6.3488 6.3488 6.3496 6.3496 6.9763 6.9763 6.9774 6.9774 8.8726 8.8726 8.9003 8.9003 9.2133 9.2133 9.2488 9.2488 11.4675 11.4675 11.4766 11.4766 11.9678 11.9678 11.9777 11.9777 12.2377 12.2409 k = 0.0449 0.0777 0.2598 ( 3968 PWs) bands (ev): -31.4131 -31.4131 -31.4131 -31.4131 -12.6969 -12.6969 -12.6969 -12.6969 -12.3387 -12.3387 -12.3387 -12.3387 -12.2961 -12.2961 -12.2961 -12.2961 -1.6253 -1.6253 -1.6253 -1.6253 5.0003 5.0003 5.0035 5.0035 5.1496 5.1496 5.1541 5.1541 5.4947 5.4947 5.4963 5.4963 6.2214 6.2214 6.2217 6.2217 6.3468 6.3468 6.3474 6.3474 6.9638 6.9638 6.9646 6.9646 8.9765 8.9765 9.0017 9.0017 9.2607 9.2607 9.2920 9.2920 11.4157 11.4157 11.4230 11.4230 11.9914 11.9914 12.0004 12.0004 12.2172 12.2180 k = 0.0385 0.0666 0.2598 ( 3976 PWs) bands (ev): -31.4132 -31.4132 -31.4132 -31.4132 -12.6966 -12.6966 -12.6966 -12.6966 -12.3385 -12.3385 -12.3385 -12.3385 -12.2952 -12.2952 -12.2952 -12.2952 -1.6368 -1.6368 -1.6367 -1.6367 5.0110 5.0110 5.0132 5.0132 5.1494 5.1494 5.1526 5.1526 5.4901 5.4901 5.4911 5.4911 6.2209 6.2209 6.2211 6.2211 6.3450 6.3450 6.3454 6.3454 6.9529 6.9529 6.9533 6.9533 9.0755 9.0755 9.0980 9.0980 9.3029 9.3029 9.3297 9.3297 11.3583 11.3583 11.3637 11.3637 12.0169 12.0169 12.0250 12.0250 12.1970 12.1985 k = 0.0321 0.0555 0.2598 ( 3976 PWs) bands (ev): -31.4133 -31.4133 -31.4133 -31.4133 -12.6962 -12.6962 -12.6962 -12.6962 -12.3384 -12.3384 -12.3384 -12.3384 -12.2944 -12.2944 -12.2944 -12.2944 -1.6465 -1.6465 -1.6465 -1.6465 5.0190 5.0190 5.0204 5.0204 5.1507 5.1507 5.1527 5.1527 5.4858 5.4858 5.4864 5.4864 6.2205 6.2205 6.2206 6.2206 6.3435 6.3435 6.3438 6.3438 6.9436 6.9436 6.9439 6.9439 9.1675 9.1675 9.1869 9.1869 9.3396 9.3396 9.3619 9.3619 11.2987 11.2987 11.3023 11.3023 12.0437 12.0437 12.0507 12.0507 12.1789 12.1789 k = 0.0256 0.0444 0.2598 ( 3960 PWs) bands (ev): -31.4133 -31.4133 -31.4133 -31.4133 -12.6959 -12.6959 -12.6959 -12.6959 -12.3382 -12.3382 -12.3382 -12.3382 -12.2937 -12.2937 -12.2937 -12.2937 -1.6545 -1.6545 -1.6545 -1.6545 5.0247 5.0247 5.0255 5.0255 5.1529 5.1529 5.1539 5.1539 5.4821 5.4821 5.4824 5.4824 6.2201 6.2201 6.2202 6.2202 6.3423 6.3423 6.3425 6.3425 6.9360 6.9360 6.9362 6.9362 9.2498 9.2498 9.2655 9.2655 9.3710 9.3710 9.3885 9.3885 11.2408 11.2408 11.2429 11.2429 12.0707 12.0707 12.0766 12.0766 12.1640 12.1644 k = 0.0192 0.0333 0.2598 ( 3960 PWs) bands (ev): -31.4134 -31.4134 -31.4134 -31.4134 -12.6957 -12.6957 -12.6957 -12.6957 -12.3381 -12.3381 -12.3381 -12.3381 -12.2932 -12.2932 -12.2932 -12.2932 -1.6607 -1.6607 -1.6607 -1.6607 5.0285 5.0285 5.0288 5.0288 5.1552 5.1552 5.1557 5.1557 5.4790 5.4790 5.4791 5.4791 6.2198 6.2198 6.2199 6.2199 6.3413 6.3413 6.3414 6.3414 6.9301 6.9301 6.9301 6.9301 9.3188 9.3188 9.3301 9.3301 9.3975 9.3975 9.4096 9.4096 11.1889 11.1889 11.1899 11.1899 12.0961 12.0961 12.1006 12.1006 12.1526 12.1527 k = 0.0128 0.0222 0.2598 ( 3948 PWs) bands (ev): -31.4134 -31.4134 -31.4134 -31.4134 -12.6956 -12.6956 -12.6956 -12.6956 -12.3380 -12.3380 -12.3380 -12.3380 -12.2928 -12.2928 -12.2928 -12.2928 -1.6652 -1.6652 -1.6652 -1.6652 5.0308 5.0308 5.0309 5.0309 5.1574 5.1574 5.1576 5.1576 5.4766 5.4766 5.4767 5.4767 6.2196 6.2196 6.2197 6.2197 6.3407 6.3407 6.3407 6.3407 6.9258 6.9258 6.9258 6.9258 9.3702 9.3702 9.3759 9.3759 9.4203 9.4203 9.4263 9.4263 11.1475 11.1475 11.1479 11.1479 12.1172 12.1172 12.1201 12.1201 12.1454 12.1460 k = 0.0064 0.0111 0.2598 ( 3932 PWs) bands (ev): -31.4134 -31.4134 -31.4134 -31.4134 -12.6954 -12.6954 -12.6954 -12.6954 -12.3379 -12.3379 -12.3379 -12.3379 -12.2925 -12.2925 -12.2925 -12.2925 -1.6679 -1.6679 -1.6679 -1.6679 5.0321 5.0321 5.0321 5.0321 5.1589 5.1589 5.1589 5.1589 5.4752 5.4752 5.4752 5.4752 6.2195 6.2195 6.2195 6.2195 6.3403 6.3403 6.3403 6.3403 6.9233 6.9233 6.9233 6.9233 9.3996 9.3996 9.4006 9.4006 9.4385 9.4385 9.4395 9.4395 11.1207 11.1207 11.1207 11.1207 12.1305 12.1305 12.1313 12.1314 12.1431 12.1432 k = 0.0000 0.0000 0.2598 ( 3932 PWs) bands (ev): -31.4134 -31.4134 -31.4134 -31.4134 -12.6954 -12.6954 -12.6954 -12.6954 -12.3379 -12.3379 -12.3379 -12.3379 -12.2924 -12.2924 -12.2924 -12.2924 -1.6688 -1.6688 -1.6688 -1.6688 5.0325 5.0325 5.0325 5.0325 5.1594 5.1594 5.1594 5.1594 5.4747 5.4747 5.4747 5.4747 6.2195 6.2195 6.2195 6.2195 6.3401 6.3401 6.3401 6.3401 6.9224 6.9224 6.9224 6.9224 9.4080 9.4080 9.4080 9.4080 9.4457 9.4457 9.4457 9.4457 11.1114 11.1114 11.1114 11.1114 12.1335 12.1335 12.1336 12.1341 12.1441 12.1441 k = 0.5000 0.2887 0.2598 ( 3944 PWs) bands (ev): -31.4069 -31.4069 -31.4069 -31.4069 -12.7259 -12.7259 -12.7259 -12.7259 -12.3704 -12.3704 -12.3704 -12.3704 -12.3260 -12.3260 -12.3260 -12.3260 -0.7539 -0.7539 -0.7539 -0.7539 3.9216 3.9216 3.9216 3.9216 5.5480 5.5480 5.5480 5.5480 5.7440 5.7440 5.7440 5.7440 6.2118 6.2118 6.2118 6.2118 6.2649 6.2649 6.2649 6.2649 6.4578 6.4578 6.4578 6.4578 7.4663 7.4663 7.4663 7.4663 8.1220 8.1220 8.1220 8.1220 9.9768 9.9768 9.9768 9.9768 11.6264 11.6264 11.6264 11.6264 13.8632 13.8632 k = 0.5000 0.2887 0.2475 ( 3954 PWs) bands (ev): -31.4071 -31.4071 -31.4067 -31.4067 -12.7265 -12.7265 -12.7254 -12.7254 -12.3711 -12.3711 -12.3698 -12.3698 -12.3270 -12.3270 -12.3249 -12.3249 -0.7576 -0.7576 -0.7503 -0.7503 3.8966 3.8966 3.9474 3.9474 5.5428 5.5428 5.5531 5.5531 5.7438 5.7438 5.7441 5.7441 6.2109 6.2109 6.2124 6.2124 6.2612 6.2612 6.2685 6.2685 6.4569 6.4569 6.4583 6.4583 7.4514 7.4514 7.4813 7.4813 8.0972 8.0972 8.1439 8.1439 9.9527 9.9527 10.0011 10.0011 11.6305 11.6305 11.6312 11.6312 13.8167 13.8167 k = 0.5000 0.2887 0.2351 ( 3954 PWs) bands (ev): -31.4073 -31.4073 -31.4065 -31.4065 -12.7272 -12.7272 -12.7248 -12.7248 -12.3719 -12.3719 -12.3693 -12.3693 -12.3279 -12.3279 -12.3237 -12.3237 -0.7613 -0.7613 -0.7467 -0.7467 3.8725 3.8725 3.9739 3.9739 5.5376 5.5376 5.5583 5.5583 5.7437 5.7437 5.7442 5.7442 6.2100 6.2100 6.2129 6.2129 6.2578 6.2578 6.2722 6.2722 6.4557 6.4557 6.4584 6.4584 7.4366 7.4366 7.4963 7.4963 8.0700 8.0700 8.1624 8.1624 9.9299 9.9299 10.0245 10.0245 11.6438 11.6438 11.6447 11.6447 13.7694 13.7694 k = 0.5000 0.2887 0.2227 ( 3960 PWs) bands (ev): -31.4075 -31.4075 -31.4063 -31.4063 -12.7279 -12.7279 -12.7242 -12.7242 -12.3728 -12.3728 -12.3688 -12.3688 -12.3287 -12.3287 -12.3224 -12.3224 -0.7650 -0.7650 -0.7431 -0.7431 3.8493 3.8493 4.0010 4.0010 5.5324 5.5324 5.5635 5.5635 5.7436 5.7436 5.7444 5.7444 6.2088 6.2088 6.2132 6.2132 6.2544 6.2544 6.2759 6.2759 6.4543 6.4543 6.4582 6.4582 7.4221 7.4221 7.5112 7.5112 8.0410 8.0410 8.1770 8.1770 9.9094 9.9094 10.0460 10.0460 11.6639 11.6639 11.6686 11.6686 13.7226 13.7226 k = 0.5000 0.2887 0.2103 ( 3964 PWs) bands (ev): -31.4077 -31.4077 -31.4061 -31.4061 -12.7286 -12.7286 -12.7237 -12.7237 -12.3737 -12.3737 -12.3685 -12.3685 -12.3294 -12.3294 -12.3210 -12.3210 -0.7686 -0.7686 -0.7397 -0.7397 3.8271 3.8271 4.0285 4.0285 5.5270 5.5270 5.5686 5.5686 5.7435 5.7435 5.7445 5.7445 6.2075 6.2075 6.2134 6.2134 6.2512 6.2512 6.2797 6.2797 6.4525 6.4525 6.4577 6.4577 7.4079 7.4079 7.5259 7.5259 8.0106 8.0106 8.1875 8.1875 9.8921 9.8921 10.0649 10.0649 11.6903 11.6903 11.7031 11.7031 13.6771 13.6771 k = 0.5000 0.2887 0.1980 ( 3970 PWs) bands (ev): -31.4079 -31.4079 -31.4059 -31.4059 -12.7293 -12.7293 -12.7232 -12.7232 -12.3747 -12.3747 -12.3682 -12.3682 -12.3300 -12.3300 -12.3195 -12.3195 -0.7722 -0.7722 -0.7363 -0.7363 3.8059 3.8059 4.0563 4.0563 5.5215 5.5215 5.5739 5.5739 5.7434 5.7434 5.7447 5.7447 6.2062 6.2062 6.2134 6.2134 6.2480 6.2480 6.2835 6.2835 6.4506 6.4506 6.4567 6.4567 7.3941 7.3941 7.5404 7.5404 7.9795 7.9795 8.1936 8.1936 9.8787 9.8787 10.0807 10.0807 11.7219 11.7219 11.7481 11.7481 13.6334 13.6334 k = 0.5000 0.2887 0.1856 ( 3970 PWs) bands (ev): -31.4081 -31.4081 -31.4057 -31.4057 -12.7300 -12.7300 -12.7227 -12.7227 -12.3757 -12.3757 -12.3680 -12.3680 -12.3305 -12.3305 -12.3180 -12.3180 -0.7757 -0.7757 -0.7331 -0.7331 3.7859 3.7859 4.0843 4.0843 5.5159 5.5159 5.5792 5.5792 5.7434 5.7434 5.7449 5.7449 6.2047 6.2047 6.2134 6.2134 6.2450 6.2450 6.2872 6.2872 6.4484 6.4484 6.4555 6.4555 7.3808 7.3808 7.5545 7.5545 7.9481 7.9481 8.1955 8.1955 9.8698 9.8698 10.0931 10.0931 11.7581 11.7581 11.8034 11.8034 13.5916 13.5916 k = 0.5000 0.2887 0.1732 ( 3966 PWs) bands (ev): -31.4083 -31.4083 -31.4055 -31.4055 -12.7307 -12.7307 -12.7222 -12.7222 -12.3767 -12.3767 -12.3679 -12.3679 -12.3308 -12.3308 -12.3165 -12.3165 -0.7791 -0.7791 -0.7300 -0.7300 3.7670 3.7670 4.1123 4.1123 5.5101 5.5101 5.5845 5.5845 5.7433 5.7433 5.7451 5.7451 6.2033 6.2033 6.2132 6.2132 6.2422 6.2422 6.2909 6.2909 6.4462 6.4462 6.4540 6.4540 7.3679 7.3679 7.5681 7.5681 7.9168 7.9168 8.1933 8.1933 9.8653 9.8653 10.1023 10.1023 11.7979 11.7979 11.8685 11.8685 13.5520 13.5520 k = 0.5000 0.2887 0.1609 ( 3962 PWs) bands (ev): -31.4084 -31.4084 -31.4053 -31.4053 -12.7313 -12.7313 -12.7219 -12.7219 -12.3777 -12.3777 -12.3678 -12.3678 -12.3311 -12.3311 -12.3150 -12.3150 -0.7823 -0.7823 -0.7270 -0.7270 3.7493 3.7493 4.1401 4.1401 5.5042 5.5042 5.5898 5.5898 5.7434 5.7434 5.7453 5.7453 6.2018 6.2018 6.2129 6.2129 6.2394 6.2394 6.2946 6.2946 6.4437 6.4437 6.4522 6.4522 7.3557 7.3557 7.5813 7.5813 7.8862 7.8862 8.1873 8.1873 9.8653 9.8653 10.1083 10.1083 11.8404 11.8404 11.9426 11.9426 13.5146 13.5146 k = 0.5000 0.2887 0.1485 ( 3962 PWs) bands (ev): -31.4086 -31.4086 -31.4052 -31.4052 -12.7319 -12.7319 -12.7215 -12.7215 -12.3787 -12.3787 -12.3677 -12.3677 -12.3313 -12.3313 -12.3135 -12.3135 -0.7855 -0.7855 -0.7242 -0.7242 3.7327 3.7327 4.1674 4.1674 5.4982 5.4982 5.5951 5.5951 5.7435 5.7435 5.7454 5.7454 6.2003 6.2003 6.2125 6.2125 6.2367 6.2367 6.2981 6.2981 6.4412 6.4412 6.4501 6.4501 7.3442 7.3442 7.5938 7.5938 7.8565 7.8565 8.1782 8.1782 9.8693 9.8693 10.1117 10.1117 11.8849 11.8849 12.0248 12.0248 13.4797 13.4797 k = 0.5000 0.2887 0.1361 ( 3958 PWs) bands (ev): -31.4088 -31.4088 -31.4050 -31.4050 -12.7326 -12.7326 -12.7211 -12.7211 -12.3797 -12.3797 -12.3677 -12.3677 -12.3315 -12.3315 -12.3120 -12.3120 -0.7884 -0.7884 -0.7216 -0.7216 3.7175 3.7175 4.1941 4.1941 5.4921 5.4921 5.6004 5.6004 5.7436 5.7436 5.7456 5.7456 6.1988 6.1988 6.2121 6.2121 6.2341 6.2341 6.3014 6.3014 6.4387 6.4387 6.4478 6.4478 7.3333 7.3333 7.6055 7.6055 7.8282 7.8282 8.1664 8.1664 9.8769 9.8769 10.1128 10.1128 11.9305 11.9305 12.1142 12.1142 13.4473 13.4473 k = 0.5000 0.2887 0.1237 ( 3966 PWs) bands (ev): -31.4089 -31.4089 -31.4049 -31.4049 -12.7332 -12.7332 -12.7208 -12.7208 -12.3807 -12.3807 -12.3677 -12.3677 -12.3316 -12.3316 -12.3106 -12.3106 -0.7912 -0.7912 -0.7192 -0.7192 3.7035 3.7035 4.2200 4.2200 5.4859 5.4859 5.6054 5.6054 5.7437 5.7437 5.7457 5.7457 6.1974 6.1974 6.2115 6.2115 6.2315 6.2315 6.3046 6.3046 6.4361 6.4361 6.4453 6.4453 7.3232 7.3232 7.6164 7.6164 7.8015 7.8015 8.1528 8.1528 9.8873 9.8873 10.1122 10.1122 11.9763 11.9763 12.2098 12.2098 13.4174 13.4174 k = 0.5000 0.2887 0.1114 ( 3962 PWs) bands (ev): -31.4090 -31.4090 -31.4047 -31.4047 -12.7337 -12.7337 -12.7205 -12.7205 -12.3815 -12.3815 -12.3677 -12.3677 -12.3317 -12.3317 -12.3093 -12.3093 -0.7938 -0.7938 -0.7170 -0.7170 3.6908 3.6908 4.2446 4.2446 5.4798 5.4798 5.6104 5.6104 5.7439 5.7439 5.7458 5.7458 6.1962 6.1962 6.2109 6.2109 6.2291 6.2291 6.3077 6.3077 6.4336 6.4336 6.4428 6.4428 7.3139 7.3139 7.6264 7.6264 7.7768 7.7768 8.1380 8.1380 9.8999 9.8999 10.1102 10.1102 12.0214 12.0214 12.3105 12.3105 13.3902 13.3902 k = 0.5000 0.2887 0.0990 ( 3958 PWs) bands (ev): -31.4092 -31.4092 -31.4046 -31.4046 -12.7342 -12.7342 -12.7202 -12.7202 -12.3823 -12.3823 -12.3678 -12.3678 -12.3317 -12.3317 -12.3080 -12.3080 -0.7961 -0.7961 -0.7150 -0.7150 3.6794 3.6794 4.2678 4.2678 5.4737 5.4737 5.6150 5.6150 5.7442 5.7442 5.7459 5.7459 6.1950 6.1950 6.2103 6.2103 6.2267 6.2267 6.3105 6.3105 6.4313 6.4313 6.4403 6.4403 7.3055 7.3055 7.6353 7.6353 7.7544 7.7544 8.1227 8.1227 9.9138 9.9138 10.1074 10.1074 12.0651 12.0651 12.4151 12.4151 13.3657 13.3657 k = 0.5000 0.2887 0.0866 ( 3956 PWs) bands (ev): -31.4093 -31.4093 -31.4045 -31.4045 -12.7347 -12.7347 -12.7200 -12.7200 -12.3831 -12.3831 -12.3678 -12.3678 -12.3317 -12.3317 -12.3069 -12.3069 -0.7982 -0.7982 -0.7132 -0.7132 3.6693 3.6693 4.2893 4.2893 5.4678 5.4678 5.6194 5.6194 5.7444 5.7444 5.7460 5.7460 6.1940 6.1940 6.2097 6.2097 6.2244 6.2244 6.3131 6.3131 6.4291 6.4291 6.4377 6.4377 7.2979 7.2979 7.6429 7.6429 7.7346 7.7346 8.1077 8.1077 9.9283 9.9283 10.1040 10.1040 12.1064 12.1064 12.5223 12.5223 13.3439 13.3439 k = 0.5000 0.2887 0.0742 ( 3964 PWs) bands (ev): -31.4094 -31.4094 -31.4044 -31.4044 -12.7351 -12.7351 -12.7199 -12.7199 -12.3838 -12.3838 -12.3679 -12.3679 -12.3318 -12.3318 -12.3060 -12.3060 -0.8001 -0.8001 -0.7116 -0.7116 3.6605 3.6605 4.3087 4.3087 5.4623 5.4623 5.6233 5.6233 5.7447 5.7447 5.7461 5.7461 6.1931 6.1931 6.2092 6.2092 6.2223 6.2223 6.3154 6.3154 6.4271 6.4271 6.4352 6.4352 7.2913 7.2913 7.6489 7.6489 7.7177 7.7177 8.0934 8.0934 9.9426 9.9426 10.1005 10.1005 12.1444 12.1444 12.6308 12.6308 13.3249 13.3249 k = 0.5000 0.2887 0.0619 ( 3954 PWs) bands (ev): -31.4094 -31.4094 -31.4043 -31.4043 -12.7355 -12.7355 -12.7197 -12.7197 -12.3843 -12.3843 -12.3679 -12.3679 -12.3317 -12.3317 -12.3050 -12.3050 -0.8017 -0.8017 -0.7103 -0.7103 3.6530 3.6530 4.3258 4.3258 5.4573 5.4573 5.6268 5.6268 5.7450 5.7450 5.7462 5.7462 6.1923 6.1923 6.2087 6.2087 6.2204 6.2204 6.3174 6.3174 6.4254 6.4254 6.4330 6.4330 7.2857 7.2857 7.6528 7.6528 7.7045 7.7045 8.0805 8.0805 9.9559 9.9559 10.0971 10.0971 12.1784 12.1784 12.7389 12.7389 13.3089 13.3089 k = 0.5000 0.2887 0.0495 ( 3944 PWs) bands (ev): -31.4095 -31.4095 -31.4042 -31.4042 -12.7358 -12.7358 -12.7195 -12.7195 -12.3848 -12.3848 -12.3679 -12.3679 -12.3317 -12.3317 -12.3042 -12.3042 -0.8030 -0.8030 -0.7092 -0.7092 3.6469 3.6469 4.3402 4.3402 5.4530 5.4530 5.6298 5.6298 5.7452 5.7452 5.7462 5.7462 6.1918 6.1918 6.2084 6.2084 6.2187 6.2187 6.3192 6.3192 6.4241 6.4241 6.4311 6.4311 7.2810 7.2810 7.6542 7.6542 7.6955 7.6955 8.0693 8.0693 9.9677 9.9677 10.0942 10.0942 12.2074 12.2074 12.8441 12.8441 13.2957 13.2957 k = 0.5000 0.2887 0.0371 ( 3946 PWs) bands (ev): -31.4096 -31.4096 -31.4042 -31.4042 -12.7360 -12.7360 -12.7194 -12.7194 -12.3852 -12.3852 -12.3680 -12.3680 -12.3317 -12.3317 -12.3037 -12.3037 -0.8040 -0.8040 -0.7083 -0.7083 3.6422 3.6422 4.3517 4.3517 5.4494 5.4494 5.6321 5.6321 5.7455 5.7455 5.7462 5.7462 6.1913 6.1913 6.2081 6.2081 6.2173 6.2173 6.3205 6.3205 6.4228 6.4228 6.4295 6.4295 7.2774 7.2774 7.6530 7.6530 7.6907 7.6907 8.0603 8.0603 9.9775 9.9775 10.0916 10.0916 12.2308 12.2308 12.9427 12.9427 13.2854 13.2854 k = 0.5000 0.2887 0.0247 ( 3950 PWs) bands (ev): -31.4096 -31.4096 -31.4042 -31.4042 -12.7362 -12.7362 -12.7193 -12.7193 -12.3855 -12.3855 -12.3680 -12.3680 -12.3317 -12.3317 -12.3033 -12.3033 -0.8048 -0.8048 -0.7077 -0.7077 3.6388 3.6388 4.3601 4.3601 5.4467 5.4467 5.6338 5.6338 5.7457 5.7457 5.7462 5.7462 6.1910 6.1910 6.2079 6.2079 6.2162 6.2162 6.3215 6.3215 6.4220 6.4220 6.4282 6.4282 7.2748 7.2748 7.6504 7.6504 7.6889 7.6889 8.0536 8.0536 9.9847 9.9847 10.0897 10.0897 12.2480 12.2480 13.0285 13.0285 13.2780 13.2780 k = 0.5000 0.2887 0.0124 ( 3954 PWs) bands (ev): -31.4096 -31.4096 -31.4041 -31.4041 -12.7364 -12.7364 -12.7193 -12.7193 -12.3857 -12.3857 -12.3680 -12.3680 -12.3317 -12.3317 -12.3030 -12.3030 -0.8052 -0.8052 -0.7073 -0.7073 3.6368 3.6368 4.3652 4.3652 5.4450 5.4450 5.6348 5.6348 5.7458 5.7458 5.7462 5.7462 6.1908 6.1908 6.2078 6.2078 6.2155 6.2155 6.3221 6.3221 6.4215 6.4215 6.4275 6.4275 7.2732 7.2732 7.6482 7.6482 7.6885 7.6885 8.0495 8.0495 9.9892 9.9892 10.0886 10.0886 12.2585 12.2585 13.0907 13.0907 13.2735 13.2735 k = 0.5000 0.2887-0.0000 ( 3954 PWs) bands (ev): -31.4096 -31.4096 -31.4041 -31.4041 -12.7364 -12.7364 -12.7193 -12.7193 -12.3857 -12.3857 -12.3680 -12.3680 -12.3317 -12.3317 -12.3029 -12.3029 -0.8054 -0.8054 -0.7072 -0.7072 3.6361 3.6361 4.3670 4.3670 5.4445 5.4445 5.6352 5.6352 5.7458 5.7458 5.7462 5.7462 6.1908 6.1908 6.2078 6.2078 6.2153 6.2153 6.3223 6.3223 6.4213 6.4213 6.4272 6.4272 7.2726 7.2726 7.6474 7.6474 7.6884 7.6884 8.0481 8.0481 9.9907 9.9907 10.0882 10.0882 12.2620 12.2620 13.1142 13.1142 13.2720 13.2720 k = 0.3333 0.5774-0.0000 ( 3966 PWs) bands (ev): -31.4088 -31.4088 -31.4033 -31.4033 -12.7373 -12.7373 -12.7211 -12.7211 -12.3745 -12.3745 -12.3717 -12.3717 -12.3523 -12.3523 -12.3119 -12.3119 -0.6288 -0.6288 -0.6264 -0.6264 4.2532 4.2532 4.2637 4.2637 5.0428 5.0428 5.5554 5.5554 5.6095 5.6095 5.9263 5.9263 6.0281 6.0281 6.0549 6.0549 6.1663 6.1663 6.2615 6.2615 6.3765 6.3765 6.4158 6.4158 6.5650 6.5650 6.7299 6.7299 7.9688 7.9688 8.0066 8.0066 10.9290 10.9290 10.9317 10.9317 12.3460 12.3460 12.3633 12.3633 12.9781 12.9781 k = 0.3333 0.5774 0.0124 ( 3960 PWs) bands (ev): -31.4088 -31.4088 -31.4033 -31.4033 -12.7373 -12.7373 -12.7211 -12.7211 -12.3744 -12.3744 -12.3716 -12.3716 -12.3523 -12.3523 -12.3120 -12.3120 -0.6288 -0.6288 -0.6264 -0.6264 4.2531 4.2531 4.2636 4.2636 5.0439 5.0439 5.5552 5.5552 5.6092 5.6092 5.9260 5.9260 6.0226 6.0226 6.0593 6.0593 6.1663 6.1663 6.2617 6.2617 6.3766 6.3766 6.4160 6.4160 6.5650 6.5650 6.7300 6.7300 7.9704 7.9704 8.0082 8.0082 10.9235 10.9235 10.9262 10.9262 12.3516 12.3516 12.3688 12.3688 12.9794 12.9794 k = 0.3333 0.5774 0.0247 ( 3978 PWs) bands (ev): -31.4088 -31.4088 -31.4034 -31.4034 -12.7372 -12.7372 -12.7212 -12.7212 -12.3742 -12.3742 -12.3716 -12.3716 -12.3525 -12.3525 -12.3123 -12.3123 -0.6288 -0.6288 -0.6264 -0.6264 4.2529 4.2529 4.2633 4.2633 5.0472 5.0472 5.5544 5.5544 5.6083 5.6083 5.9249 5.9249 6.0109 6.0109 6.0676 6.0676 6.1659 6.1659 6.2620 6.2620 6.3767 6.3767 6.4166 6.4166 6.5648 6.5648 6.7299 6.7299 7.9751 7.9751 8.0128 8.0128 10.9073 10.9073 10.9100 10.9100 12.3680 12.3680 12.3851 12.3851 12.9831 12.9831 k = 0.3333 0.5774 0.0371 ( 3975 PWs) bands (ev): -31.4087 -31.4087 -31.4034 -31.4034 -12.7371 -12.7371 -12.7213 -12.7213 -12.3738 -12.3738 -12.3714 -12.3714 -12.3526 -12.3526 -12.3128 -12.3128 -0.6287 -0.6287 -0.6263 -0.6263 4.2525 4.2525 4.2629 4.2629 5.0526 5.0526 5.5532 5.5532 5.6069 5.6069 5.9227 5.9227 5.9971 5.9971 6.0764 6.0764 6.1655 6.1655 6.2626 6.2626 6.3771 6.3771 6.4177 6.4177 6.5646 6.5646 6.7298 6.7298 7.9830 7.9830 8.0205 8.0205 10.8814 10.8814 10.8841 10.8841 12.3943 12.3943 12.4113 12.4113 12.9893 12.9893 k = 0.3333 0.5774 0.0495 ( 3975 PWs) bands (ev): -31.4087 -31.4087 -31.4035 -31.4035 -12.7368 -12.7368 -12.7214 -12.7214 -12.3733 -12.3733 -12.3713 -12.3713 -12.3528 -12.3528 -12.3135 -12.3135 -0.6287 -0.6287 -0.6263 -0.6263 4.2519 4.2519 4.2623 4.2623 5.0601 5.0601 5.5516 5.5516 5.6050 5.6050 5.9189 5.9189 5.9827 5.9827 6.0846 6.0846 6.1650 6.1650 6.2633 6.2633 6.3776 6.3776 6.4192 6.4192 6.5643 6.5643 6.7296 6.7296 7.9937 7.9937 8.0311 8.0311 10.8469 10.8469 10.8496 10.8496 12.4296 12.4296 12.4464 12.4464 12.9980 12.9980 k = 0.3333 0.5774 0.0619 ( 3975 PWs) bands (ev): -31.4086 -31.4086 -31.4035 -31.4035 -12.7366 -12.7366 -12.7215 -12.7215 -12.3726 -12.3726 -12.3710 -12.3710 -12.3530 -12.3530 -12.3143 -12.3143 -0.6286 -0.6286 -0.6262 -0.6262 4.2512 4.2512 4.2616 4.2616 5.0698 5.0698 5.5497 5.5497 5.6027 5.6027 5.9122 5.9122 5.9691 5.9691 6.0921 6.0921 6.1644 6.1644 6.2641 6.2641 6.3781 6.3781 6.4210 6.4210 6.5640 6.5640 6.7295 6.7295 8.0073 8.0073 8.0446 8.0446 10.8052 10.8052 10.8080 10.8080 12.4723 12.4723 12.4889 12.4889 13.0091 13.0091 k = 0.3333 0.5774 0.0742 ( 3981 PWs) bands (ev): -31.4085 -31.4085 -31.4036 -31.4036 -12.7361 -12.7361 -12.7217 -12.7217 -12.3717 -12.3717 -12.3708 -12.3708 -12.3532 -12.3532 -12.3155 -12.3155 -0.6286 -0.6286 -0.6262 -0.6262 4.2505 4.2505 4.2607 4.2607 5.0815 5.0815 5.5473 5.5473 5.5999 5.5999 5.9011 5.9011 5.9581 5.9581 6.0989 6.0989 6.1638 6.1638 6.2648 6.2648 6.3787 6.3787 6.4230 6.4230 6.5635 6.5635 6.7293 6.7293 8.0236 8.0236 8.0606 8.0606 10.7579 10.7579 10.7609 10.7609 12.5211 12.5211 12.5375 12.5375 13.0224 13.0224 k = 0.3333 0.5774 0.0866 ( 3972 PWs) bands (ev): -31.4084 -31.4084 -31.4037 -31.4037 -12.7357 -12.7357 -12.7219 -12.7219 -12.3707 -12.3707 -12.3705 -12.3705 -12.3535 -12.3535 -12.3167 -12.3167 -0.6285 -0.6285 -0.6261 -0.6261 4.2496 4.2496 4.2597 4.2597 5.0953 5.0953 5.5447 5.5447 5.5969 5.5969 5.8848 5.8848 5.9506 5.9506 6.1050 6.1050 6.1633 6.1633 6.2657 6.2657 6.3795 6.3795 6.4254 6.4254 6.5630 6.5630 6.7291 6.7291 8.0422 8.0422 8.0790 8.0790 10.7065 10.7065 10.7097 10.7097 12.5748 12.5748 12.5911 12.5911 13.0383 13.0383 k = 0.3333 0.5774 0.0990 ( 3960 PWs) bands (ev): -31.4083 -31.4083 -31.4038 -31.4038 -12.7353 -12.7353 -12.7221 -12.7221 -12.3700 -12.3700 -12.3696 -12.3696 -12.3539 -12.3539 -12.3180 -12.3180 -0.6284 -0.6284 -0.6260 -0.6260 4.2486 4.2486 4.2587 4.2587 5.1110 5.1110 5.5420 5.5420 5.5937 5.5937 5.8640 5.8640 5.9458 5.9458 6.1104 6.1104 6.1629 6.1629 6.2666 6.2666 6.3803 6.3803 6.4279 6.4279 6.5625 6.5625 6.7289 6.7289 8.0629 8.0629 8.0996 8.0996 10.6522 10.6522 10.6557 10.6557 12.6323 12.6323 12.6485 12.6485 13.0565 13.0565 k = 0.3333 0.5774 0.1114 ( 3954 PWs) bands (ev): -31.4082 -31.4082 -31.4039 -31.4039 -12.7348 -12.7348 -12.7223 -12.7223 -12.3696 -12.3696 -12.3684 -12.3684 -12.3544 -12.3544 -12.3195 -12.3195 -0.6283 -0.6283 -0.6259 -0.6259 4.2476 4.2476 4.2575 4.2575 5.1286 5.1286 5.5391 5.5391 5.5903 5.5903 5.8400 5.8400 5.9428 5.9428 6.1151 6.1151 6.1627 6.1627 6.2673 6.2673 6.3811 6.3811 6.4305 6.4305 6.5619 6.5619 6.7287 6.7287 8.0853 8.0853 8.1218 8.1218 10.5963 10.5963 10.6001 10.6001 12.6927 12.6927 12.7088 12.7088 13.0769 13.0769 k = 0.3333 0.5774 0.1237 ( 3942 PWs) bands (ev): -31.4081 -31.4081 -31.4040 -31.4040 -12.7343 -12.7343 -12.7225 -12.7225 -12.3691 -12.3691 -12.3670 -12.3670 -12.3548 -12.3548 -12.3211 -12.3211 -0.6282 -0.6282 -0.6258 -0.6258 4.2465 4.2465 4.2564 4.2564 5.1481 5.1481 5.5361 5.5361 5.5868 5.5868 5.8137 5.8137 5.9407 5.9407 6.1191 6.1191 6.1627 6.1627 6.2679 6.2679 6.3820 6.3820 6.4333 6.4333 6.5613 6.5613 6.7285 6.7285 8.1091 8.1091 8.1455 8.1455 10.5398 10.5398 10.5440 10.5440 12.7552 12.7552 12.7711 12.7711 13.0995 13.0995 k = 0.3333 0.5774 0.1361 ( 3942 PWs) bands (ev): -31.4079 -31.4079 -31.4042 -31.4042 -12.7337 -12.7337 -12.7228 -12.7228 -12.3686 -12.3686 -12.3655 -12.3655 -12.3553 -12.3553 -12.3229 -12.3229 -0.6281 -0.6281 -0.6257 -0.6257 4.2454 4.2454 4.2552 4.2552 5.1694 5.1694 5.5331 5.5331 5.5833 5.5833 5.7854 5.7854 5.9392 5.9392 6.1224 6.1224 6.1629 6.1629 6.2685 6.2685 6.3829 6.3829 6.4359 6.4359 6.5606 6.5606 6.7282 6.7282 8.1338 8.1338 8.1701 8.1701 10.4839 10.4839 10.4885 10.4885 12.8189 12.8189 12.8348 12.8348 13.1242 13.1242 k = 0.3333 0.5774 0.1485 ( 3942 PWs) bands (ev): -31.4078 -31.4078 -31.4043 -31.4043 -12.7331 -12.7331 -12.7231 -12.7231 -12.3680 -12.3680 -12.3639 -12.3639 -12.3559 -12.3559 -12.3248 -12.3248 -0.6281 -0.6281 -0.6257 -0.6257 4.2444 4.2444 4.2540 4.2540 5.1924 5.1924 5.5301 5.5301 5.5798 5.5798 5.7557 5.7557 5.9381 5.9381 6.1251 6.1251 6.1633 6.1633 6.2689 6.2689 6.3837 6.3837 6.4385 6.4385 6.5599 6.5599 6.7280 6.7280 8.1589 8.1589 8.1952 8.1952 10.4294 10.4294 10.4346 10.4346 12.8835 12.8835 12.8993 12.8993 13.1508 13.1509 k = 0.3333 0.5774 0.1609 ( 3939 PWs) bands (ev): -31.4076 -31.4076 -31.4045 -31.4045 -12.7325 -12.7325 -12.7235 -12.7235 -12.3674 -12.3674 -12.3621 -12.3621 -12.3565 -12.3565 -12.3269 -12.3269 -0.6280 -0.6280 -0.6256 -0.6256 4.2433 4.2433 4.2529 4.2529 5.2169 5.2169 5.5273 5.5273 5.5766 5.5766 5.7248 5.7248 5.9372 5.9372 6.1273 6.1273 6.1639 6.1639 6.2692 6.2692 6.3844 6.3844 6.4409 6.4409 6.5593 6.5593 6.7278 6.7278 8.1838 8.1838 8.2202 8.2202 10.3773 10.3773 10.3830 10.3830 12.9482 12.9482 12.9641 12.9641 13.1793 13.1793 k = 0.3333 0.5774 0.1732 ( 3939 PWs) bands (ev): -31.4074 -31.4074 -31.4047 -31.4047 -12.7319 -12.7319 -12.7239 -12.7239 -12.3668 -12.3668 -12.3602 -12.3602 -12.3570 -12.3570 -12.3290 -12.3290 -0.6279 -0.6279 -0.6255 -0.6255 4.2424 4.2424 4.2518 4.2518 5.2430 5.2430 5.5247 5.5247 5.5735 5.5735 5.6929 5.6929 5.9365 5.9365 6.1290 6.1290 6.1647 6.1647 6.2695 6.2695 6.3851 6.3851 6.4431 6.4431 6.5586 6.5586 6.7276 6.7276 8.2081 8.2081 8.2445 8.2445 10.3285 10.3285 10.3348 10.3348 13.0126 13.0126 13.0286 13.0286 13.2095 13.2095 k = 0.3333 0.5774 0.1856 ( 3945 PWs) bands (ev): -31.4072 -31.4072 -31.4049 -31.4049 -12.7313 -12.7313 -12.7243 -12.7243 -12.3662 -12.3662 -12.3583 -12.3583 -12.3577 -12.3577 -12.3312 -12.3312 -0.6278 -0.6278 -0.6254 -0.6254 4.2415 4.2415 4.2509 4.2509 5.2704 5.2704 5.5223 5.5223 5.5707 5.5707 5.6602 5.6602 5.9359 5.9359 6.1302 6.1302 6.1655 6.1655 6.2696 6.2696 6.3857 6.3857 6.4452 6.4452 6.5580 6.5580 6.7274 6.7274 8.2309 8.2309 8.2674 8.2674 10.2839 10.2839 10.2907 10.2907 13.0760 13.0760 13.0922 13.0922 13.2413 13.2413 k = 0.3333 0.5774 0.1980 ( 3936 PWs) bands (ev): -31.4070 -31.4070 -31.4050 -31.4050 -12.7306 -12.7306 -12.7247 -12.7247 -12.3655 -12.3655 -12.3584 -12.3584 -12.3563 -12.3563 -12.3334 -12.3334 -0.6278 -0.6278 -0.6253 -0.6253 4.2407 4.2407 4.2500 4.2500 5.2991 5.2991 5.5203 5.5203 5.5682 5.5682 5.6270 5.6270 5.9355 5.9355 6.1311 6.1311 6.1664 6.1664 6.2698 6.2698 6.3863 6.3863 6.4470 6.4470 6.5575 6.5575 6.7272 6.7272 8.2518 8.2518 8.2884 8.2884 10.2444 10.2444 10.2517 10.2517 13.1376 13.1376 13.1542 13.1542 13.2744 13.2744 k = 0.3333 0.5774 0.2103 ( 3936 PWs) bands (ev): -31.4068 -31.4068 -31.4053 -31.4053 -12.7300 -12.7300 -12.7252 -12.7252 -12.3649 -12.3649 -12.3591 -12.3591 -12.3542 -12.3542 -12.3356 -12.3356 -0.6277 -0.6277 -0.6253 -0.6253 4.2400 4.2400 4.2493 4.2493 5.3290 5.3290 5.5185 5.5185 5.5657 5.5657 5.5937 5.5937 5.9351 5.9351 6.1318 6.1318 6.1672 6.1672 6.2699 6.2699 6.3868 6.3868 6.4486 6.4486 6.5570 6.5570 6.7271 6.7271 8.2699 8.2699 8.3068 8.3068 10.2107 10.2107 10.2185 10.2185 13.1962 13.1962 13.2133 13.2133 13.3087 13.3087 k = 0.3333 0.5774 0.2227 ( 3933 PWs) bands (ev): -31.4066 -31.4066 -31.4054 -31.4054 -12.7294 -12.7294 -12.7257 -12.7257 -12.3642 -12.3642 -12.3597 -12.3597 -12.3520 -12.3520 -12.3380 -12.3380 -0.6277 -0.6277 -0.6252 -0.6252 4.2395 4.2395 4.2487 4.2487 5.3599 5.3599 5.5171 5.5171 5.5564 5.5564 5.5675 5.5675 5.9348 5.9348 6.1322 6.1322 6.1679 6.1679 6.2699 6.2699 6.3872 6.3872 6.4498 6.4498 6.5566 6.5566 6.7269 6.7269 8.2848 8.2848 8.3218 8.3218 10.1836 10.1836 10.1918 10.1918 13.2499 13.2499 13.2677 13.2677 13.3437 13.3437 k = 0.3333 0.5774 0.2351 ( 3942 PWs) bands (ev): -31.4064 -31.4064 -31.4057 -31.4057 -12.7288 -12.7288 -12.7262 -12.7262 -12.3635 -12.3635 -12.3604 -12.3604 -12.3498 -12.3498 -12.3404 -12.3404 -0.6276 -0.6276 -0.6252 -0.6252 4.2390 4.2390 4.2482 4.2482 5.3916 5.3916 5.5160 5.5160 5.5244 5.5244 5.5643 5.5643 5.9346 5.9346 6.1325 6.1325 6.1684 6.1684 6.2700 6.2700 6.3873 6.3873 6.4506 6.4506 6.5563 6.5563 6.7269 6.7269 8.2959 8.2959 8.3330 8.3330 10.1637 10.1637 10.1723 10.1723 13.2953 13.2953 13.3141 13.3141 13.3790 13.3790 k = 0.3333 0.5774 0.2475 ( 3948 PWs) bands (ev): -31.4063 -31.4063 -31.4059 -31.4059 -12.7282 -12.7282 -12.7268 -12.7268 -12.3630 -12.3630 -12.3610 -12.3610 -12.3475 -12.3475 -12.3428 -12.3428 -0.6276 -0.6276 -0.6252 -0.6252 4.2388 4.2388 4.2480 4.2480 5.4241 5.4241 5.4908 5.4908 5.5154 5.5154 5.5633 5.5633 5.9345 5.9345 6.1326 6.1326 6.1687 6.1687 6.2699 6.2699 6.3875 6.3875 6.4511 6.4511 6.5562 6.5562 6.7268 6.7268 8.3027 8.3027 8.3399 8.3399 10.1515 10.1515 10.1603 10.1603 13.3271 13.3271 13.3469 13.3469 13.4143 13.4143 k = 0.3333 0.5774 0.2598 ( 3954 PWs) bands (ev): -31.4061 -31.4061 -31.4061 -31.4061 -12.7279 -12.7279 -12.7271 -12.7271 -12.3626 -12.3626 -12.3613 -12.3613 -12.3454 -12.3454 -12.3449 -12.3449 -0.6276 -0.6276 -0.6252 -0.6252 4.2387 4.2387 4.2479 4.2479 5.4558 5.4558 5.4588 5.4588 5.5151 5.5151 5.5630 5.5630 5.9345 5.9345 6.1326 6.1326 6.1688 6.1688 6.2699 6.2699 6.3875 6.3875 6.4513 6.4513 6.5561 6.5561 6.7268 6.7268 8.3050 8.3050 8.3423 8.3423 10.1475 10.1475 10.1563 10.1563 13.3389 13.3389 13.3591 13.3591 13.4451 13.4451 Writing output data file CaCuP.save init_run : 0.46s CPU 0.89s WALL ( 1 calls) electrons : 365.64s CPU 371.87s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.14s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 365.63s CPU 371.86s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.10s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.08s WALL ( 318 calls) cegterg : 347.04s CPU 351.82s WALL ( 1084 calls) Called by sum_band: Called by *egterg: h_psi : 140.72s CPU 143.13s WALL ( 20205 calls) s_psi : 15.36s CPU 15.53s WALL ( 20205 calls) g_psi : 0.38s CPU 0.42s WALL ( 18803 calls) cdiaghg : 164.03s CPU 166.72s WALL ( 19121 calls) cegterg:over : 13.48s CPU 13.33s WALL ( 18803 calls) cegterg:upda : 13.30s CPU 13.02s WALL ( 18803 calls) cegterg:last : 5.03s CPU 5.06s WALL ( 2052 calls) cdiaghg:chol : 9.05s CPU 9.24s WALL ( 19121 calls) cdiaghg:inve : 6.41s CPU 6.48s WALL ( 19121 calls) cdiaghg:para : 10.32s CPU 10.13s WALL ( 38242 calls) Called by h_psi: h_psi:vloc : 107.77s CPU 109.78s WALL ( 20205 calls) h_psi:vnl : 32.56s CPU 32.90s WALL ( 20205 calls) add_vuspsi : 18.57s CPU 18.54s WALL ( 20205 calls) General routines calbec : 13.92s CPU 14.30s WALL ( 20205 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 99.34s CPU 101.35s WALL ( 1543196 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.26s WALL ( 636 calls) Parallel routines fft_scatter : 39.97s CPU 40.18s WALL ( 1543219 calls) PWSCF : 6m24.61s CPU 6m44.54s WALL This run was terminated on: 16:44:57 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=