Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 9:32 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: ./Rb2S.save/ file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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 49 30 8 2185 1057 160 Max 50 31 9 2194 1073 167 Sum 1789 1111 313 78881 38313 5931 bravais-lattice index = 14 lattice parameter (alat) = 10.0298 a.u. unit-cell volume = 1120.5171 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 40.0000 Ry charge density cutoff = 259.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.029834 celldm(2)= 1.000000 celldm(3)= 1.282350 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 1.282350 ) 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 0.779818 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 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 Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 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 S 6.00 32.06500 S( 1.00) Rb 9.00 85.46780 Rb( 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 ) ( -0.6411750 ) 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 ) ( 0.6411750 ) 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 ) ( -0.6411750 ) 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 ) ( -0.6411750 ) 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 ) ( 0.6411750 ) 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 ) ( 0.6411750 ) 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 ) ( 0.6411750 ) 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 ) ( -0.6411750 ) 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 ) ( 0.6411750 ) 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 ) ( 0.6411750 ) 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 ) ( -0.6411750 ) 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 ) ( -0.6411750 ) 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= 271 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 2) = ( 0.0142857 0.0082479 -0.0000000), wk = 0.0036900 k( 3) = ( 0.0285714 0.0164957 -0.0000000), wk = 0.0036900 k( 4) = ( 0.0428571 0.0247436 -0.0000000), wk = 0.0036900 k( 5) = ( 0.0571429 0.0329914 -0.0000000), wk = 0.0036900 k( 6) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0036900 k( 7) = ( 0.0857143 0.0494872 -0.0000000), wk = 0.0036900 k( 8) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0036900 k( 9) = ( 0.1142857 0.0659829 -0.0000000), wk = 0.0036900 k( 10) = ( 0.1285714 0.0742307 -0.0000000), wk = 0.0036900 k( 11) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0036900 k( 12) = ( 0.1571429 0.0907265 -0.0000000), wk = 0.0036900 k( 13) = ( 0.1714286 0.0989743 -0.0000000), wk = 0.0036900 k( 14) = ( 0.1857143 0.1072222 -0.0000000), wk = 0.0036900 k( 15) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0036900 k( 16) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0036900 k( 17) = ( 0.2285714 0.1319658 -0.0000000), wk = 0.0036900 k( 18) = ( 0.2428571 0.1402136 -0.0000000), wk = 0.0036900 k( 19) = ( 0.2571429 0.1484615 -0.0000000), wk = 0.0036900 k( 20) = ( 0.2714286 0.1567094 -0.0000000), wk = 0.0036900 k( 21) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0036900 k( 22) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0036900 k( 23) = ( 0.3142857 0.1814529 -0.0000000), wk = 0.0036900 k( 24) = ( 0.3285714 0.1897008 -0.0000000), wk = 0.0036900 k( 25) = ( 0.3428571 0.1979487 -0.0000000), wk = 0.0036900 k( 26) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0036900 k( 27) = ( 0.3714286 0.2144444 -0.0000000), wk = 0.0036900 k( 28) = ( 0.3857143 0.2226922 -0.0000000), wk = 0.0036900 k( 29) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0036900 k( 30) = ( 0.4142857 0.2391880 -0.0000000), wk = 0.0036900 k( 31) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0036900 k( 32) = ( 0.4428571 0.2556837 -0.0000000), wk = 0.0036900 k( 33) = ( 0.4571429 0.2639316 -0.0000000), wk = 0.0036900 k( 34) = ( 0.4714286 0.2721794 -0.0000000), wk = 0.0036900 k( 35) = ( 0.4857143 0.2804273 -0.0000000), wk = 0.0036900 k( 36) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0036900 k( 37) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0036900 k( 38) = ( 0.4916667 0.3031089 -0.0000000), wk = 0.0036900 k( 39) = ( 0.4833333 0.3175426 -0.0000000), wk = 0.0036900 k( 40) = ( 0.4750000 0.3319764 -0.0000000), wk = 0.0036900 k( 41) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0036900 k( 42) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0036900 k( 43) = ( 0.4500000 0.3752777 -0.0000000), wk = 0.0036900 k( 44) = ( 0.4416667 0.3897114 -0.0000000), wk = 0.0036900 k( 45) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0036900 k( 46) = ( 0.4250000 0.4185789 -0.0000000), wk = 0.0036900 k( 47) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0036900 k( 48) = ( 0.4083333 0.4474465 -0.0000000), wk = 0.0036900 k( 49) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0036900 k( 50) = ( 0.3916667 0.4763140 -0.0000000), wk = 0.0036900 k( 51) = ( 0.3833333 0.4907477 -0.0000000), wk = 0.0036900 k( 52) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0036900 k( 53) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0036900 k( 54) = ( 0.3583333 0.5340490 -0.0000000), wk = 0.0036900 k( 55) = ( 0.3500000 0.5484828 -0.0000000), wk = 0.0036900 k( 56) = ( 0.3416667 0.5629165 -0.0000000), wk = 0.0036900 k( 57) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0036900 k( 58) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0036900 k( 59) = ( 0.3250000 0.5629165 -0.0000000), wk = 0.0036900 k( 60) = ( 0.3166667 0.5484828 -0.0000000), wk = 0.0036900 k( 61) = ( 0.3083333 0.5340490 -0.0000000), wk = 0.0036900 k( 62) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0036900 k( 63) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0036900 k( 64) = ( 0.2833333 0.4907477 -0.0000000), wk = 0.0036900 k( 65) = ( 0.2750000 0.4763140 -0.0000000), wk = 0.0036900 k( 66) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0036900 k( 67) = ( 0.2583333 0.4474465 -0.0000000), wk = 0.0036900 k( 68) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0036900 k( 69) = ( 0.2416667 0.4185790 -0.0000000), wk = 0.0036900 k( 70) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0036900 k( 71) = ( 0.2250000 0.3897114 -0.0000000), wk = 0.0036900 k( 72) = ( 0.2166667 0.3752777 -0.0000000), wk = 0.0036900 k( 73) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0036900 k( 74) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0036900 k( 75) = ( 0.1916667 0.3319764 -0.0000000), wk = 0.0036900 k( 76) = ( 0.1833333 0.3175426 -0.0000000), wk = 0.0036900 k( 77) = ( 0.1750000 0.3031089 -0.0000000), wk = 0.0036900 k( 78) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0036900 k( 79) = ( 0.1583333 0.2742414 -0.0000000), wk = 0.0036900 k( 80) = ( 0.1500000 0.2598076 -0.0000000), wk = 0.0036900 k( 81) = ( 0.1416667 0.2453739 -0.0000000), wk = 0.0036900 k( 82) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0036900 k( 83) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0036900 k( 84) = ( 0.1166667 0.2020726 -0.0000000), wk = 0.0036900 k( 85) = ( 0.1083333 0.1876388 -0.0000000), wk = 0.0036900 k( 86) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0036900 k( 87) = ( 0.0916667 0.1587713 -0.0000000), wk = 0.0036900 k( 88) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0036900 k( 89) = ( 0.0750000 0.1299038 -0.0000000), wk = 0.0036900 k( 90) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0036900 k( 91) = ( 0.0583333 0.1010363 -0.0000000), wk = 0.0036900 k( 92) = ( 0.0500000 0.0866025 -0.0000000), wk = 0.0036900 k( 93) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0036900 k( 94) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0036900 k( 95) = ( 0.0250000 0.0433013 -0.0000000), wk = 0.0036900 k( 96) = ( 0.0166667 0.0288675 -0.0000000), wk = 0.0036900 k( 97) = ( 0.0083333 0.0144338 -0.0000000), wk = 0.0036900 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 100) = ( 0.0000000 0.0000000 0.0162462), wk = 0.0036900 k( 101) = ( 0.0000000 0.0000000 0.0324924), wk = 0.0036900 k( 102) = ( 0.0000000 0.0000000 0.0487386), wk = 0.0036900 k( 103) = ( 0.0000000 0.0000000 0.0649849), wk = 0.0036900 k( 104) = ( 0.0000000 0.0000000 0.0812311), wk = 0.0036900 k( 105) = ( 0.0000000 0.0000000 0.0974773), wk = 0.0036900 k( 106) = ( 0.0000000 0.0000000 0.1137235), wk = 0.0036900 k( 107) = ( 0.0000000 0.0000000 0.1299697), wk = 0.0036900 k( 108) = ( 0.0000000 0.0000000 0.1462159), wk = 0.0036900 k( 109) = ( 0.0000000 0.0000000 0.1624621), wk = 0.0036900 k( 110) = ( 0.0000000 0.0000000 0.1787084), wk = 0.0036900 k( 111) = ( 0.0000000 0.0000000 0.1949546), wk = 0.0036900 k( 112) = ( 0.0000000 0.0000000 0.2112008), wk = 0.0036900 k( 113) = ( 0.0000000 0.0000000 0.2274470), wk = 0.0036900 k( 114) = ( 0.0000000 0.0000000 0.2436932), wk = 0.0036900 k( 115) = ( 0.0000000 0.0000000 0.2599394), wk = 0.0036900 k( 116) = ( 0.0000000 0.0000000 0.2761856), wk = 0.0036900 k( 117) = ( 0.0000000 0.0000000 0.2924318), wk = 0.0036900 k( 118) = ( 0.0000000 0.0000000 0.3086781), wk = 0.0036900 k( 119) = ( 0.0000000 0.0000000 0.3249243), wk = 0.0036900 k( 120) = ( 0.0000000 0.0000000 0.3411705), wk = 0.0036900 k( 121) = ( 0.0000000 0.0000000 0.3574167), wk = 0.0036900 k( 122) = ( 0.0000000 0.0000000 0.3736629), wk = 0.0036900 k( 123) = ( 0.0000000 0.0000000 0.3899091), wk = 0.0036900 k( 124) = ( 0.0000000 0.0000000 0.3899091), wk = 0.0036900 k( 125) = ( 0.0142857 0.0082479 0.3899091), wk = 0.0036900 k( 126) = ( 0.0285714 0.0164957 0.3899091), wk = 0.0036900 k( 127) = ( 0.0428571 0.0247436 0.3899091), wk = 0.0036900 k( 128) = ( 0.0571429 0.0329914 0.3899091), wk = 0.0036900 k( 129) = ( 0.0714286 0.0412393 0.3899091), wk = 0.0036900 k( 130) = ( 0.0857143 0.0494872 0.3899091), wk = 0.0036900 k( 131) = ( 0.1000000 0.0577350 0.3899091), wk = 0.0036900 k( 132) = ( 0.1142857 0.0659829 0.3899091), wk = 0.0036900 k( 133) = ( 0.1285714 0.0742307 0.3899091), wk = 0.0036900 k( 134) = ( 0.1428571 0.0824786 0.3899091), wk = 0.0036900 k( 135) = ( 0.1571429 0.0907265 0.3899091), wk = 0.0036900 k( 136) = ( 0.1714286 0.0989743 0.3899091), wk = 0.0036900 k( 137) = ( 0.1857143 0.1072222 0.3899091), wk = 0.0036900 k( 138) = ( 0.2000000 0.1154701 0.3899091), wk = 0.0036900 k( 139) = ( 0.2142857 0.1237179 0.3899091), wk = 0.0036900 k( 140) = ( 0.2285714 0.1319658 0.3899091), wk = 0.0036900 k( 141) = ( 0.2428571 0.1402136 0.3899091), wk = 0.0036900 k( 142) = ( 0.2571429 0.1484615 0.3899091), wk = 0.0036900 k( 143) = ( 0.2714286 0.1567094 0.3899091), wk = 0.0036900 k( 144) = ( 0.2857143 0.1649572 0.3899091), wk = 0.0036900 k( 145) = ( 0.3000000 0.1732051 0.3899091), wk = 0.0036900 k( 146) = ( 0.3142857 0.1814529 0.3899091), wk = 0.0036900 k( 147) = ( 0.3285714 0.1897008 0.3899091), wk = 0.0036900 k( 148) = ( 0.3428571 0.1979487 0.3899091), wk = 0.0036900 k( 149) = ( 0.3571429 0.2061965 0.3899091), wk = 0.0036900 k( 150) = ( 0.3714286 0.2144444 0.3899091), wk = 0.0036900 k( 151) = ( 0.3857143 0.2226922 0.3899091), wk = 0.0036900 k( 152) = ( 0.4000000 0.2309401 0.3899091), wk = 0.0036900 k( 153) = ( 0.4142857 0.2391880 0.3899091), wk = 0.0036900 k( 154) = ( 0.4285714 0.2474358 0.3899091), wk = 0.0036900 k( 155) = ( 0.4428571 0.2556837 0.3899091), wk = 0.0036900 k( 156) = ( 0.4571429 0.2639316 0.3899091), wk = 0.0036900 k( 157) = ( 0.4714286 0.2721794 0.3899091), wk = 0.0036900 k( 158) = ( 0.4857143 0.2804273 0.3899091), wk = 0.0036900 k( 159) = ( 0.5000000 0.2886751 0.3899091), wk = 0.0036900 k( 160) = ( 0.5000000 0.2886751 0.3899091), wk = 0.0036900 k( 161) = ( 0.4916667 0.3031089 0.3899091), wk = 0.0036900 k( 162) = ( 0.4833333 0.3175426 0.3899091), wk = 0.0036900 k( 163) = ( 0.4750000 0.3319764 0.3899091), wk = 0.0036900 k( 164) = ( 0.4666667 0.3464102 0.3899091), wk = 0.0036900 k( 165) = ( 0.4583333 0.3608439 0.3899091), wk = 0.0036900 k( 166) = ( 0.4500000 0.3752777 0.3899091), wk = 0.0036900 k( 167) = ( 0.4416667 0.3897114 0.3899091), wk = 0.0036900 k( 168) = ( 0.4333333 0.4041452 0.3899091), wk = 0.0036900 k( 169) = ( 0.4250000 0.4185789 0.3899091), wk = 0.0036900 k( 170) = ( 0.4166667 0.4330127 0.3899091), wk = 0.0036900 k( 171) = ( 0.4083333 0.4474465 0.3899091), wk = 0.0036900 k( 172) = ( 0.4000000 0.4618802 0.3899091), wk = 0.0036900 k( 173) = ( 0.3916667 0.4763140 0.3899091), wk = 0.0036900 k( 174) = ( 0.3833333 0.4907477 0.3899091), wk = 0.0036900 k( 175) = ( 0.3750000 0.5051815 0.3899091), wk = 0.0036900 k( 176) = ( 0.3666667 0.5196152 0.3899091), wk = 0.0036900 k( 177) = ( 0.3583333 0.5340490 0.3899091), wk = 0.0036900 k( 178) = ( 0.3500000 0.5484828 0.3899091), wk = 0.0036900 k( 179) = ( 0.3416667 0.5629165 0.3899091), wk = 0.0036900 k( 180) = ( 0.3333333 0.5773503 0.3899091), wk = 0.0036900 k( 181) = ( 0.3333333 0.5773503 0.3899091), wk = 0.0036900 k( 182) = ( 0.3250000 0.5629165 0.3899091), wk = 0.0036900 k( 183) = ( 0.3166667 0.5484828 0.3899091), wk = 0.0036900 k( 184) = ( 0.3083333 0.5340490 0.3899091), wk = 0.0036900 k( 185) = ( 0.3000000 0.5196152 0.3899091), wk = 0.0036900 k( 186) = ( 0.2916667 0.5051815 0.3899091), wk = 0.0036900 k( 187) = ( 0.2833333 0.4907477 0.3899091), wk = 0.0036900 k( 188) = ( 0.2750000 0.4763140 0.3899091), wk = 0.0036900 k( 189) = ( 0.2666667 0.4618802 0.3899091), wk = 0.0036900 k( 190) = ( 0.2583333 0.4474465 0.3899091), wk = 0.0036900 k( 191) = ( 0.2500000 0.4330127 0.3899091), wk = 0.0036900 k( 192) = ( 0.2416667 0.4185790 0.3899091), wk = 0.0036900 k( 193) = ( 0.2333333 0.4041452 0.3899091), wk = 0.0036900 k( 194) = ( 0.2250000 0.3897114 0.3899091), wk = 0.0036900 k( 195) = ( 0.2166667 0.3752777 0.3899091), wk = 0.0036900 k( 196) = ( 0.2083333 0.3608439 0.3899091), wk = 0.0036900 k( 197) = ( 0.2000000 0.3464102 0.3899091), wk = 0.0036900 k( 198) = ( 0.1916667 0.3319764 0.3899091), wk = 0.0036900 k( 199) = ( 0.1833333 0.3175426 0.3899091), wk = 0.0036900 k( 200) = ( 0.1750000 0.3031089 0.3899091), wk = 0.0036900 k( 201) = ( 0.1666667 0.2886751 0.3899091), wk = 0.0036900 k( 202) = ( 0.1583333 0.2742414 0.3899091), wk = 0.0036900 k( 203) = ( 0.1500000 0.2598076 0.3899091), wk = 0.0036900 k( 204) = ( 0.1416667 0.2453739 0.3899091), wk = 0.0036900 k( 205) = ( 0.1333333 0.2309401 0.3899091), wk = 0.0036900 k( 206) = ( 0.1250000 0.2165064 0.3899091), wk = 0.0036900 k( 207) = ( 0.1166667 0.2020726 0.3899091), wk = 0.0036900 k( 208) = ( 0.1083333 0.1876388 0.3899091), wk = 0.0036900 k( 209) = ( 0.1000000 0.1732051 0.3899091), wk = 0.0036900 k( 210) = ( 0.0916667 0.1587713 0.3899091), wk = 0.0036900 k( 211) = ( 0.0833333 0.1443376 0.3899091), wk = 0.0036900 k( 212) = ( 0.0750000 0.1299038 0.3899091), wk = 0.0036900 k( 213) = ( 0.0666667 0.1154701 0.3899091), wk = 0.0036900 k( 214) = ( 0.0583333 0.1010363 0.3899091), wk = 0.0036900 k( 215) = ( 0.0500000 0.0866025 0.3899091), wk = 0.0036900 k( 216) = ( 0.0416667 0.0721688 0.3899091), wk = 0.0036900 k( 217) = ( 0.0333333 0.0577350 0.3899091), wk = 0.0036900 k( 218) = ( 0.0250000 0.0433013 0.3899091), wk = 0.0036900 k( 219) = ( 0.0166667 0.0288675 0.3899091), wk = 0.0036900 k( 220) = ( 0.0083333 0.0144338 0.3899091), wk = 0.0036900 k( 221) = ( 0.0000000 0.0000000 0.3899091), wk = 0.0036900 k( 222) = ( 0.5000000 0.2886751 0.3899091), wk = 0.0036900 k( 223) = ( 0.5000000 0.2886751 0.3736629), wk = 0.0036900 k( 224) = ( 0.5000000 0.2886751 0.3574167), wk = 0.0036900 k( 225) = ( 0.5000000 0.2886751 0.3411705), wk = 0.0036900 k( 226) = ( 0.5000000 0.2886751 0.3249243), wk = 0.0036900 k( 227) = ( 0.5000000 0.2886751 0.3086781), wk = 0.0036900 k( 228) = ( 0.5000000 0.2886751 0.2924318), wk = 0.0036900 k( 229) = ( 0.5000000 0.2886751 0.2761856), wk = 0.0036900 k( 230) = ( 0.5000000 0.2886751 0.2599394), wk = 0.0036900 k( 231) = ( 0.5000000 0.2886751 0.2436932), wk = 0.0036900 k( 232) = ( 0.5000000 0.2886751 0.2274470), wk = 0.0036900 k( 233) = ( 0.5000000 0.2886751 0.2112008), wk = 0.0036900 k( 234) = ( 0.5000000 0.2886751 0.1949546), wk = 0.0036900 k( 235) = ( 0.5000000 0.2886751 0.1787084), wk = 0.0036900 k( 236) = ( 0.5000000 0.2886751 0.1624621), wk = 0.0036900 k( 237) = ( 0.5000000 0.2886751 0.1462159), wk = 0.0036900 k( 238) = ( 0.5000000 0.2886751 0.1299697), wk = 0.0036900 k( 239) = ( 0.5000000 0.2886751 0.1137235), wk = 0.0036900 k( 240) = ( 0.5000000 0.2886751 0.0974773), wk = 0.0036900 k( 241) = ( 0.5000000 0.2886751 0.0812311), wk = 0.0036900 k( 242) = ( 0.5000000 0.2886751 0.0649849), wk = 0.0036900 k( 243) = ( 0.5000000 0.2886751 0.0487386), wk = 0.0036900 k( 244) = ( 0.5000000 0.2886751 0.0324924), wk = 0.0036900 k( 245) = ( 0.5000000 0.2886751 0.0162462), wk = 0.0036900 k( 246) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0036900 k( 247) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0036900 k( 248) = ( 0.3333333 0.5773503 0.0162462), wk = 0.0036900 k( 249) = ( 0.3333333 0.5773503 0.0324924), wk = 0.0036900 k( 250) = ( 0.3333333 0.5773503 0.0487386), wk = 0.0036900 k( 251) = ( 0.3333333 0.5773503 0.0649849), wk = 0.0036900 k( 252) = ( 0.3333333 0.5773503 0.0812311), wk = 0.0036900 k( 253) = ( 0.3333333 0.5773503 0.0974773), wk = 0.0036900 k( 254) = ( 0.3333333 0.5773503 0.1137235), wk = 0.0036900 k( 255) = ( 0.3333333 0.5773503 0.1299697), wk = 0.0036900 k( 256) = ( 0.3333333 0.5773503 0.1462159), wk = 0.0036900 k( 257) = ( 0.3333333 0.5773503 0.1624621), wk = 0.0036900 k( 258) = ( 0.3333333 0.5773503 0.1787084), wk = 0.0036900 k( 259) = ( 0.3333333 0.5773503 0.1949546), wk = 0.0036900 k( 260) = ( 0.3333333 0.5773503 0.2112008), wk = 0.0036900 k( 261) = ( 0.3333333 0.5773503 0.2274470), wk = 0.0036900 k( 262) = ( 0.3333333 0.5773503 0.2436932), wk = 0.0036900 k( 263) = ( 0.3333333 0.5773503 0.2599394), wk = 0.0036900 k( 264) = ( 0.3333333 0.5773503 0.2761856), wk = 0.0036900 k( 265) = ( 0.3333333 0.5773503 0.2924318), wk = 0.0036900 k( 266) = ( 0.3333333 0.5773503 0.3086781), wk = 0.0036900 k( 267) = ( 0.3333333 0.5773503 0.3249243), wk = 0.0036900 k( 268) = ( 0.3333333 0.5773503 0.3411705), wk = 0.0036900 k( 269) = ( 0.3333333 0.5773503 0.3574167), wk = 0.0036900 k( 270) = ( 0.3333333 0.5773503 0.3736629), wk = 0.0036900 k( 271) = ( 0.3333333 0.5773503 0.3899091), wk = 0.0036900 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 2) = ( 0.0142857 -0.0000000 0.0000000), wk = 0.0036900 k( 3) = ( 0.0285714 -0.0000000 0.0000000), wk = 0.0036900 k( 4) = ( 0.0428571 -0.0000000 -0.0000000), wk = 0.0036900 k( 5) = ( 0.0571429 -0.0000000 0.0000000), wk = 0.0036900 k( 6) = ( 0.0714286 -0.0000000 0.0000000), wk = 0.0036900 k( 7) = ( 0.0857143 -0.0000000 0.0000000), wk = 0.0036900 k( 8) = ( 0.1000000 0.0000000 -0.0000000), wk = 0.0036900 k( 9) = ( 0.1142857 -0.0000000 0.0000000), wk = 0.0036900 k( 10) = ( 0.1285714 -0.0000000 -0.0000000), wk = 0.0036900 k( 11) = ( 0.1428571 -0.0000000 0.0000000), wk = 0.0036900 k( 12) = ( 0.1571429 -0.0000000 0.0000000), wk = 0.0036900 k( 13) = ( 0.1714286 -0.0000000 0.0000000), wk = 0.0036900 k( 14) = ( 0.1857143 -0.0000000 0.0000000), wk = 0.0036900 k( 15) = ( 0.2000000 0.0000000 -0.0000000), wk = 0.0036900 k( 16) = ( 0.2142857 -0.0000000 0.0000000), wk = 0.0036900 k( 17) = ( 0.2285714 -0.0000000 -0.0000000), wk = 0.0036900 k( 18) = ( 0.2428571 -0.0000000 -0.0000000), wk = 0.0036900 k( 19) = ( 0.2571429 -0.0000000 -0.0000000), wk = 0.0036900 k( 20) = ( 0.2714286 -0.0000000 0.0000000), wk = 0.0036900 k( 21) = ( 0.2857143 -0.0000000 0.0000000), wk = 0.0036900 k( 22) = ( 0.3000000 -0.0000000 0.0000000), wk = 0.0036900 k( 23) = ( 0.3142857 0.0000000 0.0000000), wk = 0.0036900 k( 24) = ( 0.3285714 -0.0000000 0.0000000), wk = 0.0036900 k( 25) = ( 0.3428571 -0.0000000 0.0000000), wk = 0.0036900 k( 26) = ( 0.3571429 -0.0000000 0.0000000), wk = 0.0036900 k( 27) = ( 0.3714286 -0.0000000 0.0000000), wk = 0.0036900 k( 28) = ( 0.3857143 -0.0000000 0.0000000), wk = 0.0036900 k( 29) = ( 0.4000000 0.0000000 -0.0000000), wk = 0.0036900 k( 30) = ( 0.4142857 0.0000000 0.0000000), wk = 0.0036900 k( 31) = ( 0.4285714 -0.0000000 -0.0000000), wk = 0.0036900 k( 32) = ( 0.4428571 0.0000000 -0.0000000), wk = 0.0036900 k( 33) = ( 0.4571429 -0.0000000 -0.0000000), wk = 0.0036900 k( 34) = ( 0.4714286 -0.0000000 0.0000000), wk = 0.0036900 k( 35) = ( 0.4857143 -0.0000000 0.0000000), wk = 0.0036900 k( 36) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0036900 k( 37) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0036900 k( 38) = ( 0.4916667 0.0166667 0.0000000), wk = 0.0036900 k( 39) = ( 0.4833333 0.0333333 -0.0000000), wk = 0.0036900 k( 40) = ( 0.4750000 0.0500000 -0.0000000), wk = 0.0036900 k( 41) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0036900 k( 42) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0036900 k( 43) = ( 0.4500000 0.1000000 0.0000000), wk = 0.0036900 k( 44) = ( 0.4416667 0.1166667 -0.0000000), wk = 0.0036900 k( 45) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0036900 k( 46) = ( 0.4250000 0.1500000 -0.0000000), wk = 0.0036900 k( 47) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0036900 k( 48) = ( 0.4083333 0.1833333 0.0000000), wk = 0.0036900 k( 49) = ( 0.4000000 0.2000000 -0.0000000), wk = 0.0036900 k( 50) = ( 0.3916667 0.2166667 0.0000000), wk = 0.0036900 k( 51) = ( 0.3833333 0.2333333 0.0000000), wk = 0.0036900 k( 52) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0036900 k( 53) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0036900 k( 54) = ( 0.3583333 0.2833333 0.0000000), wk = 0.0036900 k( 55) = ( 0.3500000 0.3000000 0.0000000), wk = 0.0036900 k( 56) = ( 0.3416667 0.3166667 -0.0000000), wk = 0.0036900 k( 57) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0036900 k( 58) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0036900 k( 59) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0036900 k( 60) = ( 0.3166667 0.3166667 -0.0000000), wk = 0.0036900 k( 61) = ( 0.3083333 0.3083333 0.0000000), wk = 0.0036900 k( 62) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0036900 k( 63) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0036900 k( 64) = ( 0.2833333 0.2833333 -0.0000000), wk = 0.0036900 k( 65) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0036900 k( 66) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0036900 k( 67) = ( 0.2583333 0.2583333 -0.0000000), wk = 0.0036900 k( 68) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0036900 k( 69) = ( 0.2416667 0.2416667 0.0000000), wk = 0.0036900 k( 70) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0036900 k( 71) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0036900 k( 72) = ( 0.2166667 0.2166667 0.0000000), wk = 0.0036900 k( 73) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0036900 k( 74) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0036900 k( 75) = ( 0.1916667 0.1916667 -0.0000000), wk = 0.0036900 k( 76) = ( 0.1833333 0.1833333 -0.0000000), wk = 0.0036900 k( 77) = ( 0.1750000 0.1750000 0.0000000), wk = 0.0036900 k( 78) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0036900 k( 79) = ( 0.1583333 0.1583333 -0.0000000), wk = 0.0036900 k( 80) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0036900 k( 81) = ( 0.1416667 0.1416667 -0.0000000), wk = 0.0036900 k( 82) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0036900 k( 83) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0036900 k( 84) = ( 0.1166667 0.1166667 0.0000000), wk = 0.0036900 k( 85) = ( 0.1083333 0.1083333 0.0000000), wk = 0.0036900 k( 86) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0036900 k( 87) = ( 0.0916667 0.0916667 0.0000000), wk = 0.0036900 k( 88) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0036900 k( 89) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0036900 k( 90) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0036900 k( 91) = ( 0.0583333 0.0583333 -0.0000000), wk = 0.0036900 k( 92) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0036900 k( 93) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0036900 k( 94) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0036900 k( 95) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0036900 k( 96) = ( 0.0166667 0.0166667 -0.0000000), wk = 0.0036900 k( 97) = ( 0.0083333 0.0083333 0.0000000), wk = 0.0036900 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 100) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0036900 k( 101) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0036900 k( 102) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0036900 k( 103) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0036900 k( 104) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0036900 k( 105) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0036900 k( 106) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0036900 k( 107) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0036900 k( 108) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0036900 k( 109) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0036900 k( 110) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0036900 k( 111) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0036900 k( 112) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0036900 k( 113) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0036900 k( 114) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0036900 k( 115) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0036900 k( 116) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0036900 k( 117) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0036900 k( 118) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0036900 k( 119) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0036900 k( 120) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0036900 k( 121) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0036900 k( 122) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0036900 k( 123) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036900 k( 124) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036900 k( 125) = ( 0.0142857 -0.0000000 0.5000000), wk = 0.0036900 k( 126) = ( 0.0285714 -0.0000000 0.5000000), wk = 0.0036900 k( 127) = ( 0.0428571 -0.0000000 0.5000000), wk = 0.0036900 k( 128) = ( 0.0571429 -0.0000000 0.5000000), wk = 0.0036900 k( 129) = ( 0.0714286 -0.0000000 0.5000000), wk = 0.0036900 k( 130) = ( 0.0857143 -0.0000000 0.5000000), wk = 0.0036900 k( 131) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0036900 k( 132) = ( 0.1142857 -0.0000000 0.5000000), wk = 0.0036900 k( 133) = ( 0.1285714 -0.0000000 0.5000000), wk = 0.0036900 k( 134) = ( 0.1428571 -0.0000000 0.5000000), wk = 0.0036900 k( 135) = ( 0.1571429 -0.0000000 0.5000000), wk = 0.0036900 k( 136) = ( 0.1714286 -0.0000000 0.5000000), wk = 0.0036900 k( 137) = ( 0.1857143 -0.0000000 0.5000000), wk = 0.0036900 k( 138) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0036900 k( 139) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0036900 k( 140) = ( 0.2285714 -0.0000000 0.5000000), wk = 0.0036900 k( 141) = ( 0.2428571 -0.0000000 0.5000000), wk = 0.0036900 k( 142) = ( 0.2571429 -0.0000000 0.5000000), wk = 0.0036900 k( 143) = ( 0.2714286 -0.0000000 0.5000000), wk = 0.0036900 k( 144) = ( 0.2857143 -0.0000000 0.5000000), wk = 0.0036900 k( 145) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0036900 k( 146) = ( 0.3142857 0.0000000 0.5000000), wk = 0.0036900 k( 147) = ( 0.3285714 -0.0000000 0.5000000), wk = 0.0036900 k( 148) = ( 0.3428571 -0.0000000 0.5000000), wk = 0.0036900 k( 149) = ( 0.3571429 -0.0000000 0.5000000), wk = 0.0036900 k( 150) = ( 0.3714286 -0.0000000 0.5000000), wk = 0.0036900 k( 151) = ( 0.3857143 -0.0000000 0.5000000), wk = 0.0036900 k( 152) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0036900 k( 153) = ( 0.4142857 0.0000000 0.5000000), wk = 0.0036900 k( 154) = ( 0.4285714 -0.0000000 0.5000000), wk = 0.0036900 k( 155) = ( 0.4428571 0.0000000 0.5000000), wk = 0.0036900 k( 156) = ( 0.4571429 -0.0000000 0.5000000), wk = 0.0036900 k( 157) = ( 0.4714286 -0.0000000 0.5000000), wk = 0.0036900 k( 158) = ( 0.4857143 -0.0000000 0.5000000), wk = 0.0036900 k( 159) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0036900 k( 160) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0036900 k( 161) = ( 0.4916667 0.0166667 0.5000000), wk = 0.0036900 k( 162) = ( 0.4833333 0.0333333 0.5000000), wk = 0.0036900 k( 163) = ( 0.4750000 0.0500000 0.5000000), wk = 0.0036900 k( 164) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0036900 k( 165) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0036900 k( 166) = ( 0.4500000 0.1000000 0.5000000), wk = 0.0036900 k( 167) = ( 0.4416667 0.1166667 0.5000000), wk = 0.0036900 k( 168) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0036900 k( 169) = ( 0.4250000 0.1500000 0.5000000), wk = 0.0036900 k( 170) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0036900 k( 171) = ( 0.4083333 0.1833333 0.5000000), wk = 0.0036900 k( 172) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0036900 k( 173) = ( 0.3916667 0.2166667 0.5000000), wk = 0.0036900 k( 174) = ( 0.3833333 0.2333333 0.5000000), wk = 0.0036900 k( 175) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0036900 k( 176) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0036900 k( 177) = ( 0.3583333 0.2833333 0.5000000), wk = 0.0036900 k( 178) = ( 0.3500000 0.3000000 0.5000000), wk = 0.0036900 k( 179) = ( 0.3416667 0.3166667 0.5000000), wk = 0.0036900 k( 180) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0036900 k( 181) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0036900 k( 182) = ( 0.3250000 0.3250000 0.5000000), wk = 0.0036900 k( 183) = ( 0.3166667 0.3166667 0.5000000), wk = 0.0036900 k( 184) = ( 0.3083333 0.3083333 0.5000000), wk = 0.0036900 k( 185) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0036900 k( 186) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0036900 k( 187) = ( 0.2833333 0.2833333 0.5000000), wk = 0.0036900 k( 188) = ( 0.2750000 0.2750000 0.5000000), wk = 0.0036900 k( 189) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0036900 k( 190) = ( 0.2583333 0.2583333 0.5000000), wk = 0.0036900 k( 191) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0036900 k( 192) = ( 0.2416667 0.2416667 0.5000000), wk = 0.0036900 k( 193) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0036900 k( 194) = ( 0.2250000 0.2250000 0.5000000), wk = 0.0036900 k( 195) = ( 0.2166667 0.2166667 0.5000000), wk = 0.0036900 k( 196) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0036900 k( 197) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0036900 k( 198) = ( 0.1916667 0.1916667 0.5000000), wk = 0.0036900 k( 199) = ( 0.1833333 0.1833333 0.5000000), wk = 0.0036900 k( 200) = ( 0.1750000 0.1750000 0.5000000), wk = 0.0036900 k( 201) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0036900 k( 202) = ( 0.1583333 0.1583333 0.5000000), wk = 0.0036900 k( 203) = ( 0.1500000 0.1500000 0.5000000), wk = 0.0036900 k( 204) = ( 0.1416667 0.1416667 0.5000000), wk = 0.0036900 k( 205) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0036900 k( 206) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0036900 k( 207) = ( 0.1166667 0.1166667 0.5000000), wk = 0.0036900 k( 208) = ( 0.1083333 0.1083333 0.5000000), wk = 0.0036900 k( 209) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0036900 k( 210) = ( 0.0916667 0.0916667 0.5000000), wk = 0.0036900 k( 211) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0036900 k( 212) = ( 0.0750000 0.0750000 0.5000000), wk = 0.0036900 k( 213) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0036900 k( 214) = ( 0.0583333 0.0583333 0.5000000), wk = 0.0036900 k( 215) = ( 0.0500000 0.0500000 0.5000000), wk = 0.0036900 k( 216) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0036900 k( 217) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0036900 k( 218) = ( 0.0250000 0.0250000 0.5000000), wk = 0.0036900 k( 219) = ( 0.0166667 0.0166667 0.5000000), wk = 0.0036900 k( 220) = ( 0.0083333 0.0083333 0.5000000), wk = 0.0036900 k( 221) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036900 k( 222) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0036900 k( 223) = ( 0.5000000 -0.0000000 0.4791667), wk = 0.0036900 k( 224) = ( 0.5000000 -0.0000000 0.4583333), wk = 0.0036900 k( 225) = ( 0.5000000 -0.0000000 0.4375000), wk = 0.0036900 k( 226) = ( 0.5000000 -0.0000000 0.4166667), wk = 0.0036900 k( 227) = ( 0.5000000 -0.0000000 0.3958333), wk = 0.0036900 k( 228) = ( 0.5000000 -0.0000000 0.3750000), wk = 0.0036900 k( 229) = ( 0.5000000 -0.0000000 0.3541667), wk = 0.0036900 k( 230) = ( 0.5000000 -0.0000000 0.3333333), wk = 0.0036900 k( 231) = ( 0.5000000 -0.0000000 0.3125000), wk = 0.0036900 k( 232) = ( 0.5000000 -0.0000000 0.2916667), wk = 0.0036900 k( 233) = ( 0.5000000 -0.0000000 0.2708333), wk = 0.0036900 k( 234) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0036900 k( 235) = ( 0.5000000 -0.0000000 0.2291667), wk = 0.0036900 k( 236) = ( 0.5000000 -0.0000000 0.2083333), wk = 0.0036900 k( 237) = ( 0.5000000 -0.0000000 0.1875000), wk = 0.0036900 k( 238) = ( 0.5000000 -0.0000000 0.1666667), wk = 0.0036900 k( 239) = ( 0.5000000 -0.0000000 0.1458333), wk = 0.0036900 k( 240) = ( 0.5000000 -0.0000000 0.1250000), wk = 0.0036900 k( 241) = ( 0.5000000 -0.0000000 0.1041667), wk = 0.0036900 k( 242) = ( 0.5000000 -0.0000000 0.0833333), wk = 0.0036900 k( 243) = ( 0.5000000 -0.0000000 0.0625000), wk = 0.0036900 k( 244) = ( 0.5000000 -0.0000000 0.0416667), wk = 0.0036900 k( 245) = ( 0.5000000 -0.0000000 0.0208333), wk = 0.0036900 k( 246) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0036900 k( 247) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0036900 k( 248) = ( 0.3333333 0.3333333 0.0208333), wk = 0.0036900 k( 249) = ( 0.3333333 0.3333333 0.0416667), wk = 0.0036900 k( 250) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0036900 k( 251) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0036900 k( 252) = ( 0.3333333 0.3333333 0.1041667), wk = 0.0036900 k( 253) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0036900 k( 254) = ( 0.3333333 0.3333333 0.1458333), wk = 0.0036900 k( 255) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0036900 k( 256) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0036900 k( 257) = ( 0.3333333 0.3333333 0.2083333), wk = 0.0036900 k( 258) = ( 0.3333333 0.3333333 0.2291667), wk = 0.0036900 k( 259) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0036900 k( 260) = ( 0.3333333 0.3333333 0.2708333), wk = 0.0036900 k( 261) = ( 0.3333333 0.3333333 0.2916667), wk = 0.0036900 k( 262) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0036900 k( 263) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0036900 k( 264) = ( 0.3333333 0.3333333 0.3541667), wk = 0.0036900 k( 265) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0036900 k( 266) = ( 0.3333333 0.3333333 0.3958333), wk = 0.0036900 k( 267) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0036900 k( 268) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0036900 k( 269) = ( 0.3333333 0.3333333 0.4583333), wk = 0.0036900 k( 270) = ( 0.3333333 0.3333333 0.4791667), wk = 0.0036900 k( 271) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0036900 Dense grid: 78881 G-vectors FFT dimensions: ( 54, 54, 72) Smooth grid: 38313 G-vectors FFT dimensions: ( 45, 45, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.25 Mb ( 288, 58) NL pseudopotentials 0.45 Mb ( 144, 204) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 2187) G-vector shells 0.01 Mb ( 1044) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.02 Mb ( 288, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.36 Mb ( 204, 2, 58) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./Rb2S.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 3.3 secs Computing kpt #: 3 total cpu time spent up to now is 4.0 secs Computing kpt #: 4 total cpu time spent up to now is 4.6 secs Computing kpt #: 5 total cpu time spent up to now is 5.2 secs Computing kpt #: 6 total cpu time spent up to now is 5.8 secs Computing kpt #: 7 total cpu time spent up to now is 6.4 secs Computing kpt #: 8 total cpu time spent up to now is 6.9 secs Computing kpt #: 9 total cpu time spent up to now is 7.7 secs Computing kpt #: 10 total cpu time spent up to now is 8.2 secs Computing kpt #: 11 total cpu time spent up to now is 8.8 secs Computing kpt #: 12 total cpu time spent up to now is 9.4 secs Computing kpt #: 13 total cpu time spent up to now is 10.0 secs Computing kpt #: 14 total cpu time spent up to now is 10.6 secs Computing kpt #: 15 total cpu time spent up to now is 11.2 secs Computing kpt #: 16 total cpu time spent up to now is 11.8 secs Computing kpt #: 17 total cpu time spent up to now is 12.4 secs Computing kpt #: 18 total cpu time spent up to now is 13.0 secs Computing kpt #: 19 total cpu time spent up to now is 13.6 secs Computing kpt #: 20 total cpu time spent up to now is 14.3 secs Computing kpt #: 21 total cpu time spent up to now is 14.9 secs Computing kpt #: 22 total cpu time spent up to now is 15.6 secs Computing kpt #: 23 total cpu time spent up to now is 16.2 secs Computing kpt #: 24 total cpu time spent up to now is 16.9 secs Computing kpt #: 25 total cpu time spent up to now is 17.6 secs Computing kpt #: 26 total cpu time spent up to now is 18.3 secs Computing kpt #: 27 total cpu time spent up to now is 19.0 secs Computing kpt #: 28 total cpu time spent up to now is 19.6 secs Computing kpt #: 29 total cpu time spent up to now is 20.3 secs Computing kpt #: 30 total cpu time spent up to now is 21.0 secs Computing kpt #: 31 total cpu time spent up to now is 21.7 secs Computing kpt #: 32 total cpu time spent up to now is 22.4 secs Computing kpt #: 33 total cpu time spent up to now is 23.0 secs Computing kpt #: 34 total cpu time spent up to now is 23.7 secs Computing kpt #: 35 total cpu time spent up to now is 24.4 secs Computing kpt #: 36 total cpu time spent up to now is 25.1 secs Computing kpt #: 37 total cpu time spent up to now is 25.8 secs Computing kpt #: 38 total cpu time spent up to now is 26.5 secs Computing kpt #: 39 total cpu time spent up to now is 27.2 secs Computing kpt #: 40 total cpu time spent up to now is 27.9 secs Computing kpt #: 41 total cpu time spent up to now is 28.6 secs Computing kpt #: 42 total cpu time spent up to now is 29.2 secs Computing kpt #: 43 total cpu time spent up to now is 29.9 secs Computing kpt #: 44 total cpu time spent up to now is 30.6 secs Computing kpt #: 45 total cpu time spent up to now is 31.3 secs Computing kpt #: 46 total cpu time spent up to now is 32.0 secs Computing kpt #: 47 total cpu time spent up to now is 32.7 secs Computing kpt #: 48 total cpu time spent up to now is 33.4 secs Computing kpt #: 49 total cpu time spent up to now is 34.1 secs Computing kpt #: 50 total cpu time spent up to now is 34.9 secs Computing kpt #: 51 total cpu time spent up to now is 35.6 secs Computing kpt #: 52 total cpu time spent up to now is 36.3 secs Computing kpt #: 53 total cpu time spent up to now is 37.1 secs Computing kpt #: 54 total cpu time spent up to now is 37.8 secs Computing kpt #: 55 total cpu time spent up to now is 38.6 secs Computing kpt #: 56 total cpu time spent up to now is 39.3 secs Computing kpt #: 57 total cpu time spent up to now is 40.0 secs Computing kpt #: 58 total cpu time spent up to now is 40.7 secs Computing kpt #: 59 total cpu time spent up to now is 41.4 secs Computing kpt #: 60 total cpu time spent up to now is 42.1 secs Computing kpt #: 61 total cpu time spent up to now is 42.9 secs Computing kpt #: 62 total cpu time spent up to now is 43.6 secs Computing kpt #: 63 total cpu time spent up to now is 44.3 secs Computing kpt #: 64 total cpu time spent up to now is 45.0 secs Computing kpt #: 65 total cpu time spent up to now is 45.6 secs Computing kpt #: 66 total cpu time spent up to now is 46.3 secs Computing kpt #: 67 total cpu time spent up to now is 47.0 secs Computing kpt #: 68 total cpu time spent up to now is 47.7 secs Computing kpt #: 69 total cpu time spent up to now is 48.4 secs Computing kpt #: 70 total cpu time spent up to now is 49.0 secs Computing kpt #: 71 total cpu time spent up to now is 49.7 secs Computing kpt #: 72 total cpu time spent up to now is 50.4 secs Computing kpt #: 73 total cpu time spent up to now is 51.0 secs Computing kpt #: 74 total cpu time spent up to now is 51.6 secs Computing kpt #: 75 total cpu time spent up to now is 52.2 secs Computing kpt #: 76 total cpu time spent up to now is 52.8 secs Computing kpt #: 77 total cpu time spent up to now is 53.4 secs Computing kpt #: 78 total cpu time spent up to now is 54.1 secs Computing kpt #: 79 total cpu time spent up to now is 54.7 secs Computing kpt #: 80 total cpu time spent up to now is 55.3 secs Computing kpt #: 81 total cpu time spent up to now is 56.0 secs Computing kpt #: 82 total cpu time spent up to now is 56.6 secs Computing kpt #: 83 total cpu time spent up to now is 57.2 secs Computing kpt #: 84 total cpu time spent up to now is 57.8 secs Computing kpt #: 85 total cpu time spent up to now is 58.4 secs Computing kpt #: 86 total cpu time spent up to now is 59.0 secs Computing kpt #: 87 total cpu time spent up to now is 59.6 secs Computing kpt #: 88 total cpu time spent up to now is 60.1 secs Computing kpt #: 89 total cpu time spent up to now is 60.7 secs Computing kpt #: 90 total cpu time spent up to now is 61.3 secs Computing kpt #: 91 total cpu time spent up to now is 61.9 secs Computing kpt #: 92 total cpu time spent up to now is 62.5 secs Computing kpt #: 93 total cpu time spent up to now is 63.1 secs Computing kpt #: 94 total cpu time spent up to now is 63.6 secs Computing kpt #: 95 total cpu time spent up to now is 64.3 secs Computing kpt #: 96 total cpu time spent up to now is 65.0 secs Computing kpt #: 97 total cpu time spent up to now is 65.7 secs Computing kpt #: 98 total cpu time spent up to now is 66.2 secs Computing kpt #: 99 total cpu time spent up to now is 66.9 secs Computing kpt #: 100 total cpu time spent up to now is 67.5 secs Computing kpt #: 101 total cpu time spent up to now is 68.2 secs Computing kpt #: 102 total cpu time spent up to now is 68.8 secs Computing kpt #: 103 total cpu time spent up to now is 69.5 secs Computing kpt #: 104 total cpu time spent up to now is 70.1 secs Computing kpt #: 105 total cpu time spent up to now is 70.8 secs Computing kpt #: 106 total cpu time spent up to now is 71.5 secs Computing kpt #: 107 total cpu time spent up to now is 72.1 secs Computing kpt #: 108 total cpu time spent up to now is 72.8 secs Computing kpt #: 109 total cpu time spent up to now is 73.5 secs Computing kpt #: 110 total cpu time spent up to now is 74.2 secs Computing kpt #: 111 total cpu time spent up to now is 74.9 secs Computing kpt #: 112 total cpu time spent up to now is 75.6 secs Computing kpt #: 113 total cpu time spent up to now is 76.2 secs Computing kpt #: 114 total cpu time spent up to now is 76.9 secs Computing kpt #: 115 total cpu time spent up to now is 77.5 secs Computing kpt #: 116 total cpu time spent up to now is 78.2 secs Computing kpt #: 117 total cpu time spent up to now is 78.9 secs Computing kpt #: 118 total cpu time spent up to now is 79.5 secs Computing kpt #: 119 total cpu time spent up to now is 80.1 secs Computing kpt #: 120 total cpu time spent up to now is 80.8 secs Computing kpt #: 121 total cpu time spent up to now is 81.7 secs Computing kpt #: 122 total cpu time spent up to now is 82.7 secs Computing kpt #: 123 total cpu time spent up to now is 83.5 secs Computing kpt #: 124 total cpu time spent up to now is 84.1 secs Computing kpt #: 125 total cpu time spent up to now is 84.8 secs Computing kpt #: 126 total cpu time spent up to now is 85.5 secs Computing kpt #: 127 total cpu time spent up to now is 86.1 secs Computing kpt #: 128 total cpu time spent up to now is 86.8 secs Computing kpt #: 129 total cpu time spent up to now is 87.5 secs Computing kpt #: 130 total cpu time spent up to now is 88.1 secs Computing kpt #: 131 total cpu time spent up to now is 88.8 secs Computing kpt #: 132 total cpu time spent up to now is 89.5 secs Computing kpt #: 133 total cpu time spent up to now is 90.2 secs Computing kpt #: 134 total cpu time spent up to now is 90.9 secs Computing kpt #: 135 total cpu time spent up to now is 91.5 secs Computing kpt #: 136 total cpu time spent up to now is 92.2 secs Computing kpt #: 137 total cpu time spent up to now is 92.9 secs Computing kpt #: 138 total cpu time spent up to now is 93.6 secs Computing kpt #: 139 total cpu time spent up to now is 94.3 secs Computing kpt #: 140 total cpu time spent up to now is 95.0 secs Computing kpt #: 141 total cpu time spent up to now is 95.7 secs Computing kpt #: 142 total cpu time spent up to now is 96.4 secs Computing kpt #: 143 total cpu time spent up to now is 97.1 secs Computing kpt #: 144 total cpu time spent up to now is 97.8 secs Computing kpt #: 145 total cpu time spent up to now is 98.5 secs Computing kpt #: 146 total cpu time spent up to now is 99.2 secs Computing kpt #: 147 total cpu time spent up to now is 99.9 secs Computing kpt #: 148 total cpu time spent up to now is 100.6 secs Computing kpt #: 149 total cpu time spent up to now is 101.3 secs Computing kpt #: 150 total cpu time spent up to now is 102.0 secs Computing kpt #: 151 total cpu time spent up to now is 102.7 secs Computing kpt #: 152 total cpu time spent up to now is 103.4 secs Computing kpt #: 153 total cpu time spent up to now is 104.2 secs Computing kpt #: 154 total cpu time spent up to now is 104.9 secs Computing kpt #: 155 total cpu time spent up to now is 105.6 secs Computing kpt #: 156 total cpu time spent up to now is 106.3 secs Computing kpt #: 157 total cpu time spent up to now is 107.1 secs Computing kpt #: 158 total cpu time spent up to now is 107.8 secs Computing kpt #: 159 total cpu time spent up to now is 108.5 secs Computing kpt #: 160 total cpu time spent up to now is 109.2 secs Computing kpt #: 161 total cpu time spent up to now is 109.9 secs Computing kpt #: 162 total cpu time spent up to now is 110.7 secs Computing kpt #: 163 total cpu time spent up to now is 111.4 secs Computing kpt #: 164 total cpu time spent up to now is 112.1 secs Computing kpt #: 165 total cpu time spent up to now is 112.8 secs Computing kpt #: 166 total cpu time spent up to now is 113.5 secs Computing kpt #: 167 total cpu time spent up to now is 114.2 secs Computing kpt #: 168 total cpu time spent up to now is 115.0 secs Computing kpt #: 169 total cpu time spent up to now is 115.7 secs Computing kpt #: 170 total cpu time spent up to now is 116.4 secs Computing kpt #: 171 total cpu time spent up to now is 117.2 secs Computing kpt #: 172 total cpu time spent up to now is 117.9 secs Computing kpt #: 173 total cpu time spent up to now is 118.6 secs Computing kpt #: 174 total cpu time spent up to now is 119.4 secs Computing kpt #: 175 total cpu time spent up to now is 120.6 secs Computing kpt #: 176 total cpu time spent up to now is 121.3 secs Computing kpt #: 177 total cpu time spent up to now is 122.5 secs Computing kpt #: 178 total cpu time spent up to now is 123.2 secs Computing kpt #: 179 total cpu time spent up to now is 124.4 secs Computing kpt #: 180 total cpu time spent up to now is 125.1 secs Computing kpt #: 181 total cpu time spent up to now is 125.8 secs Computing kpt #: 182 total cpu time spent up to now is 126.7 secs Computing kpt #: 183 total cpu time spent up to now is 128.2 secs Computing kpt #: 184 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 129.9 secs Computing kpt #: 185 total cpu time spent up to now is 130.7 secs Computing kpt #: 186 total cpu time spent up to now is 131.4 secs Computing kpt #: 187 total cpu time spent up to now is 132.2 secs Computing kpt #: 188 total cpu time spent up to now is 132.9 secs Computing kpt #: 189 total cpu time spent up to now is 133.6 secs Computing kpt #: 190 total cpu time spent up to now is 134.3 secs Computing kpt #: 191 total cpu time spent up to now is 135.0 secs Computing kpt #: 192 total cpu time spent up to now is 135.7 secs Computing kpt #: 193 total cpu time spent up to now is 136.4 secs Computing kpt #: 194 total cpu time spent up to now is 137.1 secs Computing kpt #: 195 total cpu time spent up to now is 137.8 secs Computing kpt #: 196 total cpu time spent up to now is 138.5 secs Computing kpt #: 197 total cpu time spent up to now is 139.2 secs Computing kpt #: 198 total cpu time spent up to now is 139.9 secs Computing kpt #: 199 total cpu time spent up to now is 140.6 secs Computing kpt #: 200 total cpu time spent up to now is 141.3 secs Computing kpt #: 201 total cpu time spent up to now is 142.0 secs Computing kpt #: 202 total cpu time spent up to now is 142.7 secs Computing kpt #: 203 total cpu time spent up to now is 143.4 secs Computing kpt #: 204 total cpu time spent up to now is 144.1 secs Computing kpt #: 205 total cpu time spent up to now is 144.8 secs Computing kpt #: 206 total cpu time spent up to now is 145.5 secs Computing kpt #: 207 total cpu time spent up to now is 146.1 secs Computing kpt #: 208 total cpu time spent up to now is 146.8 secs Computing kpt #: 209 total cpu time spent up to now is 147.4 secs Computing kpt #: 210 total cpu time spent up to now is 148.0 secs Computing kpt #: 211 total cpu time spent up to now is 148.6 secs Computing kpt #: 212 total cpu time spent up to now is 149.2 secs Computing kpt #: 213 total cpu time spent up to now is 149.9 secs Computing kpt #: 214 total cpu time spent up to now is 150.5 secs Computing kpt #: 215 total cpu time spent up to now is 151.1 secs Computing kpt #: 216 total cpu time spent up to now is 151.8 secs Computing kpt #: 217 total cpu time spent up to now is 152.5 secs Computing kpt #: 218 total cpu time spent up to now is 153.2 secs Computing kpt #: 219 total cpu time spent up to now is 153.9 secs Computing kpt #: 220 total cpu time spent up to now is 154.6 secs Computing kpt #: 221 total cpu time spent up to now is 155.3 secs Computing kpt #: 222 total cpu time spent up to now is 156.0 secs Computing kpt #: 223 total cpu time spent up to now is 156.7 secs Computing kpt #: 224 total cpu time spent up to now is 157.4 secs Computing kpt #: 225 total cpu time spent up to now is 158.2 secs Computing kpt #: 226 total cpu time spent up to now is 158.9 secs Computing kpt #: 227 total cpu time spent up to now is 159.7 secs Computing kpt #: 228 total cpu time spent up to now is 160.4 secs Computing kpt #: 229 total cpu time spent up to now is 161.0 secs Computing kpt #: 230 total cpu time spent up to now is 161.8 secs Computing kpt #: 231 total cpu time spent up to now is 162.5 secs Computing kpt #: 232 total cpu time spent up to now is 163.2 secs Computing kpt #: 233 total cpu time spent up to now is 164.0 secs Computing kpt #: 234 total cpu time spent up to now is 164.7 secs Computing kpt #: 235 total cpu time spent up to now is 165.5 secs Computing kpt #: 236 total cpu time spent up to now is 166.2 secs Computing kpt #: 237 total cpu time spent up to now is 166.9 secs Computing kpt #: 238 total cpu time spent up to now is 167.6 secs Computing kpt #: 239 total cpu time spent up to now is 168.3 secs Computing kpt #: 240 total cpu time spent up to now is 169.0 secs Computing kpt #: 241 total cpu time spent up to now is 169.7 secs Computing kpt #: 242 total cpu time spent up to now is 170.4 secs Computing kpt #: 243 total cpu time spent up to now is 171.1 secs Computing kpt #: 244 total cpu time spent up to now is 171.8 secs Computing kpt #: 245 total cpu time spent up to now is 172.5 secs Computing kpt #: 246 total cpu time spent up to now is 173.2 secs Computing kpt #: 247 total cpu time spent up to now is 173.9 secs Computing kpt #: 248 total cpu time spent up to now is 174.6 secs Computing kpt #: 249 total cpu time spent up to now is 175.3 secs Computing kpt #: 250 total cpu time spent up to now is 176.1 secs Computing kpt #: 251 total cpu time spent up to now is 176.8 secs Computing kpt #: 252 total cpu time spent up to now is 177.5 secs Computing kpt #: 253 total cpu time spent up to now is 178.2 secs Computing kpt #: 254 total cpu time spent up to now is 179.0 secs Computing kpt #: 255 total cpu time spent up to now is 179.7 secs Computing kpt #: 256 total cpu time spent up to now is 180.5 secs Computing kpt #: 257 total cpu time spent up to now is 181.2 secs Computing kpt #: 258 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 183.0 secs Computing kpt #: 259 total cpu time spent up to now is 183.7 secs Computing kpt #: 260 total cpu time spent up to now is 184.4 secs Computing kpt #: 261 total cpu time spent up to now is 185.2 secs Computing kpt #: 262 total cpu time spent up to now is 185.9 secs Computing kpt #: 263 total cpu time spent up to now is 186.6 secs Computing kpt #: 264 total cpu time spent up to now is 187.2 secs Computing kpt #: 265 total cpu time spent up to now is 187.9 secs Computing kpt #: 266 total cpu time spent up to now is 188.6 secs Computing kpt #: 267 total cpu time spent up to now is 189.3 secs Computing kpt #: 268 total cpu time spent up to now is 190.0 secs Computing kpt #: 269 total cpu time spent up to now is 190.7 secs Computing kpt #: 270 total cpu time spent up to now is 191.4 secs Computing kpt #: 271 total cpu time spent up to now is 192.1 secs ethr = 2.08E-08, avg # of iterations = 24.7 total cpu time spent up to now is 192.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4759 PWs) bands (ev): -20.7426 -20.7426 -20.5645 -20.5645 -19.5827 -19.5827 -19.5742 -19.5742 -5.8855 -5.8855 -5.4484 -5.4484 -4.7860 -4.7860 -4.7502 -4.7502 -4.5083 -4.5083 -4.3370 -4.3370 -4.2427 -4.2427 -4.1698 -4.1698 -3.7800 -3.7800 -3.6827 -3.6827 -3.6790 -3.6790 -3.4806 -3.4806 -3.3530 -3.3530 -3.3154 -3.3154 5.2546 5.2546 5.3109 5.3109 5.5812 5.5812 5.8580 5.8580 5.9398 5.9398 6.4229 6.4229 9.1298 9.1298 10.1733 10.1733 10.2368 10.2368 10.2416 10.2416 11.2033 11.2033 k = 0.0143 0.0082-0.0000 ( 4771 PWs) bands (ev): -20.7426 -20.7426 -20.5645 -20.5645 -19.5827 -19.5827 -19.5742 -19.5742 -5.8857 -5.8857 -5.4485 -5.4485 -4.7871 -4.7871 -4.7514 -4.7514 -4.5067 -4.5067 -4.3368 -4.3368 -4.2439 -4.2439 -4.1706 -4.1706 -3.7816 -3.7816 -3.6849 -3.6849 -3.6788 -3.6788 -3.4769 -3.4769 -3.3502 -3.3502 -3.3147 -3.3147 5.2557 5.2557 5.3119 5.3119 5.5816 5.5816 5.8570 5.8570 5.9386 5.9386 6.4218 6.4218 9.1349 9.1349 10.1747 10.1747 10.2391 10.2391 10.2446 10.2446 11.1997 11.1997 k = 0.0286 0.0165-0.0000 ( 4781 PWs) bands (ev): -20.7424 -20.7424 -20.5645 -20.5645 -19.5827 -19.5827 -19.5743 -19.5743 -5.8864 -5.8864 -5.4486 -5.4486 -4.7907 -4.7907 -4.7545 -4.7545 -4.5022 -4.5022 -4.3362 -4.3362 -4.2478 -4.2478 -4.1728 -4.1728 -3.7861 -3.7861 -3.6922 -3.6922 -3.6771 -3.6771 -3.4667 -3.4667 -3.3431 -3.3431 -3.3118 -3.3118 5.2589 5.2589 5.3148 5.3148 5.5829 5.5829 5.8535 5.8535 5.9353 5.9353 6.4184 6.4184 9.1498 9.1498 10.1789 10.1789 10.2446 10.2446 10.2550 10.2550 11.1877 11.1877 k = 0.0429 0.0247-0.0000 ( 4775 PWs) bands (ev): -20.7422 -20.7422 -20.5645 -20.5645 -19.5827 -19.5827 -19.5745 -19.5745 -5.8874 -5.8874 -5.4488 -5.4488 -4.7972 -4.7972 -4.7585 -4.7585 -4.4954 -4.4954 -4.3351 -4.3351 -4.2547 -4.2547 -4.1759 -4.1759 -3.7930 -3.7930 -3.7032 -3.7032 -3.6739 -3.6739 -3.4513 -3.4513 -3.3355 -3.3355 -3.3034 -3.3034 5.2641 5.2641 5.3195 5.3195 5.5850 5.5850 5.8468 5.8468 5.9311 5.9311 6.4129 6.4129 9.1743 9.1743 10.1860 10.1860 10.2525 10.2525 10.2736 10.2736 11.1642 11.1642 k = 0.0571 0.0330-0.0000 ( 4771 PWs) bands (ev): -20.7419 -20.7419 -20.5645 -20.5645 -19.5827 -19.5827 -19.5748 -19.5748 -5.8888 -5.8888 -5.4492 -5.4492 -4.8071 -4.8071 -4.7623 -4.7623 -4.4872 -4.4872 -4.3333 -4.3333 -4.2649 -4.2649 -4.1794 -4.1794 -3.8015 -3.8015 -3.7163 -3.7163 -3.6693 -3.6693 -3.4323 -3.4323 -3.3314 -3.3314 -3.2864 -3.2864 5.2714 5.2714 5.3261 5.3261 5.5879 5.5879 5.8357 5.8357 5.9276 5.9276 6.4052 6.4052 9.2078 9.2078 10.1959 10.1959 10.2632 10.2632 10.2997 10.2997 11.1283 11.1283 k = 0.0714 0.0412-0.0000 ( 4777 PWs) bands (ev): -20.7416 -20.7416 -20.5644 -20.5644 -19.5827 -19.5827 -19.5751 -19.5751 -5.8906 -5.8906 -5.4497 -5.4497 -4.8200 -4.8200 -4.7657 -4.7657 -4.4785 -4.4785 -4.3305 -4.3305 -4.2784 -4.2784 -4.1826 -4.1826 -3.8108 -3.8108 -3.7304 -3.7304 -3.6634 -3.6634 -3.4107 -3.4107 -3.3302 -3.3302 -3.2626 -3.2626 5.2806 5.2806 5.3344 5.3344 5.5916 5.5916 5.8194 5.8194 5.9258 5.9258 6.3956 6.3956 9.2496 9.2496 10.2086 10.2086 10.2768 10.2768 10.3329 10.3329 11.0826 11.0826 k = 0.0857 0.0495-0.0000 ( 4777 PWs) bands (ev): -20.7411 -20.7411 -20.5644 -20.5644 -19.5827 -19.5827 -19.5755 -19.5755 -5.8928 -5.8928 -5.4503 -5.4503 -4.8353 -4.8353 -4.7688 -4.7688 -4.4701 -4.4701 -4.3269 -4.3269 -4.2947 -4.2947 -4.1854 -4.1854 -3.8204 -3.8204 -3.7449 -3.7449 -3.6565 -3.6565 -3.3874 -3.3874 -3.3303 -3.3303 -3.2344 -3.2344 5.2916 5.2916 5.3445 5.3445 5.5962 5.5962 5.7982 5.7982 5.9261 5.9261 6.3842 6.3842 9.2988 9.2988 10.2243 10.2243 10.2933 10.2933 10.3729 10.3729 11.0306 11.0306 k = 0.1000 0.0577-0.0000 ( 4783 PWs) bands (ev): -20.7406 -20.7406 -20.5643 -20.5643 -19.5828 -19.5828 -19.5759 -19.5759 -5.8954 -5.8954 -5.4510 -5.4510 -4.8524 -4.8524 -4.7717 -4.7717 -4.4628 -4.4628 -4.3252 -4.3252 -4.3104 -4.3104 -4.1876 -4.1876 -3.8298 -3.8298 -3.7591 -3.7591 -3.6486 -3.6486 -3.3628 -3.3628 -3.3310 -3.3310 -3.2034 -3.2034 5.3044 5.3044 5.3560 5.3560 5.6015 5.6015 5.7729 5.7729 5.9284 5.9284 6.3712 6.3712 9.3544 9.3544 10.2431 10.2431 10.3127 10.3127 10.4194 10.4194 10.9752 10.9752 k = 0.1143 0.0660-0.0000 ( 4783 PWs) bands (ev): -20.7400 -20.7400 -20.5643 -20.5643 -19.5828 -19.5828 -19.5764 -19.5764 -5.8982 -5.8982 -5.4519 -5.4519 -4.8707 -4.8707 -4.7746 -4.7746 -4.4571 -4.4571 -4.3403 -4.3403 -4.3095 -4.3095 -4.1894 -4.1894 -3.8390 -3.8390 -3.7725 -3.7725 -3.6399 -3.6399 -3.3391 -3.3391 -3.3299 -3.3299 -3.1709 -3.1709 5.3188 5.3188 5.3691 5.3691 5.6076 5.6076 5.7445 5.7445 5.9323 5.9323 6.3567 6.3567 9.4152 9.4152 10.2650 10.2650 10.3350 10.3350 10.4718 10.4718 10.9189 10.9189 k = 0.1286 0.0742-0.0000 ( 4785 PWs) bands (ev): -20.7393 -20.7393 -20.5642 -20.5642 -19.5828 -19.5828 -19.5770 -19.5770 -5.9014 -5.9014 -5.4530 -5.4530 -4.8898 -4.8898 -4.7777 -4.7777 -4.4533 -4.4533 -4.3630 -4.3630 -4.3008 -4.3008 -4.1909 -4.1909 -3.8480 -3.8480 -3.7847 -3.7847 -3.6306 -3.6306 -3.3351 -3.3351 -3.3084 -3.3084 -3.1375 -3.1375 5.3347 5.3347 5.3833 5.3833 5.6145 5.6145 5.7140 5.7140 5.9373 5.9373 6.3409 6.3409 9.4798 9.4798 10.2903 10.2903 10.3602 10.3602 10.5296 10.5296 10.8637 10.8637 k = 0.1429 0.0825-0.0000 ( 4781 PWs) bands (ev): -20.7386 -20.7386 -20.5642 -20.5642 -19.5829 -19.5829 -19.5776 -19.5776 -5.9048 -5.9048 -5.4543 -5.4543 -4.9094 -4.9094 -4.7811 -4.7811 -4.4515 -4.4515 -4.3872 -4.3872 -4.2897 -4.2897 -4.1921 -4.1921 -3.8570 -3.8570 -3.7951 -3.7951 -3.6209 -3.6209 -3.3363 -3.3363 -3.2811 -3.2811 -3.1039 -3.1039 5.3519 5.3519 5.3984 5.3984 5.6219 5.6219 5.6823 5.6823 5.9434 5.9434 6.3241 6.3241 9.5469 9.5469 10.3192 10.3192 10.3881 10.3881 10.5923 10.5923 10.8110 10.8110 k = 0.1571 0.0907-0.0000 ( 4779 PWs) bands (ev): -20.7379 -20.7379 -20.5641 -20.5641 -19.5829 -19.5829 -19.5782 -19.5782 -5.9084 -5.9084 -5.4558 -5.4558 -4.9294 -4.9294 -4.7849 -4.7849 -4.4521 -4.4521 -4.4113 -4.4113 -4.2771 -4.2771 -4.1933 -4.1933 -3.8664 -3.8664 -3.8034 -3.8034 -3.6110 -3.6110 -3.3378 -3.3378 -3.2528 -3.2528 -3.0707 -3.0707 5.3704 5.3704 5.4142 5.4142 5.6289 5.6289 5.6514 5.6514 5.9501 5.9501 6.3064 6.3064 9.6147 9.6147 10.3520 10.3520 10.4188 10.4188 10.6590 10.6590 10.7622 10.7622 k = 0.1714 0.0990-0.0000 ( 4771 PWs) bands (ev): -20.7370 -20.7370 -20.5640 -20.5640 -19.5830 -19.5830 -19.5789 -19.5789 -5.9122 -5.9122 -5.4576 -5.4576 -4.9496 -4.9496 -4.7890 -4.7890 -4.4567 -4.4567 -4.4328 -4.4328 -4.2634 -4.2634 -4.1943 -4.1943 -3.8764 -3.8764 -3.8092 -3.8092 -3.6010 -3.6010 -3.3393 -3.3393 -3.2240 -3.2240 -3.0381 -3.0381 5.3901 5.3901 5.4301 5.4301 5.6156 5.6156 5.6421 5.6421 5.9575 5.9575 6.2881 6.2881 9.6814 9.6814 10.3893 10.3893 10.4521 10.4521 10.7184 10.7184 10.7291 10.7291 k = 0.1857 0.1072-0.0000 ( 4779 PWs) bands (ev): -20.7362 -20.7362 -20.5639 -20.5639 -19.5832 -19.5832 -19.5795 -19.5795 -5.9162 -5.9162 -5.4595 -5.4595 -4.9697 -4.9697 -4.7935 -4.7935 -4.4714 -4.4714 -4.4450 -4.4450 -4.2492 -4.2492 -4.1951 -4.1951 -3.8869 -3.8869 -3.8125 -3.8125 -3.5911 -3.5911 -3.3406 -3.3406 -3.1949 -3.1949 -3.0066 -3.0066 5.4106 5.4106 5.4451 5.4451 5.5868 5.5868 5.6508 5.6508 5.9652 5.9652 6.2693 6.2693 9.7452 9.7452 10.4315 10.4315 10.4879 10.4879 10.6814 10.6814 10.8007 10.8007 k = 0.2000 0.1155-0.0000 ( 4777 PWs) bands (ev): -20.7353 -20.7353 -20.5639 -20.5639 -19.5833 -19.5833 -19.5802 -19.5802 -5.9203 -5.9203 -5.4617 -5.4617 -4.9897 -4.9897 -4.7985 -4.7985 -4.4933 -4.4933 -4.4503 -4.4503 -4.2352 -4.2352 -4.1953 -4.1953 -3.8977 -3.8977 -3.8136 -3.8136 -3.5815 -3.5815 -3.3416 -3.3416 -3.1655 -3.1655 -2.9763 -2.9763 5.4316 5.4316 5.4573 5.4573 5.5615 5.5615 5.6610 5.6610 5.9731 5.9731 6.2503 6.2503 9.8038 9.8038 10.4790 10.4790 10.5262 10.5262 10.6515 10.6515 10.8731 10.8731 k = 0.2143 0.1237-0.0000 ( 4777 PWs) bands (ev): -20.7344 -20.7344 -20.5638 -20.5638 -19.5836 -19.5836 -19.5807 -19.5807 -5.9246 -5.9246 -5.4642 -5.4642 -5.0095 -5.0095 -4.8038 -4.8038 -4.5164 -4.5164 -4.4543 -4.4543 -4.2227 -4.2227 -4.1937 -4.1937 -3.9086 -3.9086 -3.8127 -3.8127 -3.5724 -3.5724 -3.3422 -3.3422 -3.1361 -3.1361 -2.9476 -2.9476 5.4493 5.4493 5.4653 5.4653 5.5457 5.5457 5.6719 5.6719 5.9811 5.9811 6.2311 6.2311 9.8553 9.8553 10.5324 10.5324 10.5669 10.5669 10.6299 10.6299 10.9443 10.9443 k = 0.2286 0.1320-0.0000 ( 4769 PWs) bands (ev): -20.7334 -20.7334 -20.5637 -20.5637 -19.5840 -19.5840 -19.5812 -19.5812 -5.9288 -5.9288 -5.4669 -5.4669 -5.0290 -5.0290 -4.8096 -4.8096 -4.5391 -4.5391 -4.4580 -4.4580 -4.2147 -4.2147 -4.1876 -4.1876 -3.9194 -3.9194 -3.8102 -3.8102 -3.5639 -3.5639 -3.3424 -3.3424 -3.1067 -3.1067 -2.9205 -2.9205 5.4455 5.4455 5.4819 5.4819 5.5446 5.5446 5.6834 5.6834 5.9891 5.9891 6.2121 6.2121 9.8980 9.8980 10.5916 10.5916 10.6097 10.6097 10.6176 10.6176 11.0118 11.0118 k = 0.2429 0.1402-0.0000 ( 4781 PWs) bands (ev): -20.7325 -20.7325 -20.5636 -20.5636 -19.5845 -19.5845 -19.5815 -19.5815 -5.9332 -5.9332 -5.4698 -5.4698 -5.0479 -5.0479 -4.8156 -4.8156 -4.5611 -4.5611 -4.4618 -4.4618 -4.2122 -4.2122 -4.1760 -4.1760 -3.9299 -3.9299 -3.8062 -3.8062 -3.5561 -3.5561 -3.3420 -3.3420 -3.0777 -3.0777 -2.8953 -2.8953 5.4265 5.4265 5.5047 5.5047 5.5548 5.5548 5.6954 5.6954 5.9969 5.9969 6.1933 6.1933 9.9306 9.9306 10.6143 10.6143 10.6538 10.6538 10.6580 10.6580 11.0730 11.0730 k = 0.2571 0.1485-0.0000 ( 4784 PWs) bands (ev): -20.7315 -20.7315 -20.5635 -20.5635 -19.5851 -19.5851 -19.5818 -19.5818 -5.9375 -5.9375 -5.4729 -5.4729 -5.0664 -5.0664 -4.8218 -4.8218 -4.5822 -4.5822 -4.4655 -4.4655 -4.2124 -4.2124 -4.1619 -4.1619 -3.9399 -3.9399 -3.8010 -3.8010 -3.5493 -3.5493 -3.3410 -3.3410 -3.0491 -3.0491 -2.8719 -2.8719 5.4030 5.4030 5.5285 5.5285 5.5701 5.5701 5.7078 5.7078 6.0043 6.0043 6.1749 6.1749 9.9529 9.9529 10.6209 10.6209 10.7016 10.7016 10.7273 10.7273 11.1247 11.1247 k = 0.2714 0.1567-0.0000 ( 4796 PWs) bands (ev): -20.7306 -20.7306 -20.5635 -20.5635 -19.5858 -19.5858 -19.5819 -19.5819 -5.9417 -5.9417 -5.4763 -5.4763 -5.0842 -5.0842 -4.8282 -4.8282 -4.6023 -4.6023 -4.4692 -4.4692 -4.2137 -4.2137 -4.1469 -4.1469 -3.9493 -3.9493 -3.7949 -3.7949 -3.5435 -3.5435 -3.3394 -3.3394 -3.0211 -3.0211 -2.8504 -2.8504 5.3787 5.3787 5.5527 5.5527 5.5878 5.5878 5.7205 5.7205 6.0113 6.0113 6.1571 6.1571 9.9652 9.9652 10.6366 10.6366 10.7503 10.7503 10.8016 10.8016 11.1635 11.1635 k = 0.2857 0.1650-0.0000 ( 4786 PWs) bands (ev): -20.7296 -20.7296 -20.5634 -20.5634 -19.5866 -19.5866 -19.5821 -19.5821 -5.9459 -5.9459 -5.4797 -5.4797 -5.1012 -5.1012 -4.8346 -4.8346 -4.6215 -4.6215 -4.4727 -4.4727 -4.2154 -4.2154 -4.1318 -4.1318 -3.9581 -3.9581 -3.7879 -3.7879 -3.5387 -3.5387 -3.3370 -3.3370 -2.9940 -2.9940 -2.8309 -2.8309 5.3549 5.3549 5.5767 5.5767 5.6067 5.6067 5.7334 5.7334 6.0176 6.0176 6.1399 6.1399 9.9683 9.9683 10.6607 10.6607 10.8006 10.8006 10.8790 10.8790 11.1871 11.1871 k = 0.3000 0.1732-0.0000 ( 4782 PWs) bands (ev): -20.7287 -20.7287 -20.5633 -20.5633 -19.5873 -19.5873 -19.5821 -19.5821 -5.9500 -5.9500 -5.4833 -5.4833 -5.1175 -5.1175 -4.8408 -4.8408 -4.6397 -4.6397 -4.4760 -4.4760 -4.2173 -4.2173 -4.1170 -4.1170 -3.9662 -3.9662 -3.7804 -3.7804 -3.5350 -3.5350 -3.3340 -3.3340 -2.9679 -2.9679 -2.8132 -2.8132 5.3320 5.3320 5.6000 5.6000 5.6266 5.6266 5.7465 5.7465 6.0231 6.0231 6.1237 6.1237 9.9635 9.9635 10.6922 10.6922 10.8521 10.8521 10.9582 10.9582 11.1949 11.1949 k = 0.3143 0.1815-0.0000 ( 4774 PWs) bands (ev): -20.7278 -20.7278 -20.5632 -20.5632 -19.5881 -19.5881 -19.5822 -19.5822 -5.9540 -5.9540 -5.4870 -5.4870 -5.1328 -5.1328 -4.8469 -4.8469 -4.6571 -4.6571 -4.4791 -4.4791 -4.2191 -4.2191 -4.1028 -4.1028 -3.9733 -3.9733 -3.7724 -3.7724 -3.5324 -3.5324 -3.3304 -3.3304 -2.9430 -2.9430 -2.7972 -2.7972 5.3104 5.3104 5.6223 5.6223 5.6476 5.6476 5.7597 5.7597 6.0275 6.0275 6.1085 6.1085 9.9519 9.9519 10.7303 10.7303 10.9045 10.9045 11.0380 11.0380 11.1881 11.1881 k = 0.3286 0.1897-0.0000 ( 4760 PWs) bands (ev): -20.7269 -20.7269 -20.5631 -20.5631 -19.5888 -19.5888 -19.5823 -19.5823 -5.9578 -5.9578 -5.4907 -5.4907 -5.1471 -5.1471 -4.8526 -4.8526 -4.6735 -4.6735 -4.4820 -4.4820 -4.2208 -4.2208 -4.0894 -4.0894 -3.9794 -3.9794 -3.7641 -3.7641 -3.5306 -3.5306 -3.3263 -3.3263 -2.9196 -2.9196 -2.7829 -2.7829 5.2901 5.2901 5.6431 5.6431 5.6695 5.6695 5.7728 5.7728 6.0306 6.0306 6.0947 6.0947 9.9346 9.9346 10.7741 10.7741 10.9576 10.9576 11.1174 11.1174 11.1694 11.1694 k = 0.3429 0.1979-0.0000 ( 4762 PWs) bands (ev): -20.7261 -20.7261 -20.5631 -20.5631 -19.5895 -19.5895 -19.5823 -19.5823 -5.9615 -5.9615 -5.4944 -5.4944 -5.1605 -5.1605 -4.8579 -4.8579 -4.6891 -4.6891 -4.4846 -4.4846 -4.2224 -4.2224 -4.0774 -4.0774 -3.9841 -3.9841 -3.7557 -3.7557 -3.5298 -3.5298 -3.3219 -3.3219 -2.8979 -2.8979 -2.7701 -2.7701 5.2712 5.2712 5.6625 5.6625 5.6920 5.6920 5.7859 5.7859 6.0319 6.0319 6.0826 6.0826 9.9128 9.9128 10.8229 10.8229 11.0108 11.0108 11.1415 11.1415 11.1955 11.1955 k = 0.3571 0.2062-0.0000 ( 4768 PWs) bands (ev): -20.7253 -20.7253 -20.5630 -20.5630 -19.5902 -19.5902 -19.5823 -19.5823 -5.9649 -5.9649 -5.4980 -5.4980 -5.1727 -5.1727 -4.8627 -4.8627 -4.7038 -4.7038 -4.4870 -4.4870 -4.2239 -4.2239 -4.0671 -4.0671 -3.9872 -3.9872 -3.7473 -3.7473 -3.5297 -3.5297 -3.3173 -3.3173 -2.8781 -2.8781 -2.7586 -2.7586 5.2537 5.2537 5.6807 5.6807 5.7144 5.7144 5.7988 5.7988 6.0311 6.0311 6.0727 6.0727 9.8874 9.8874 10.8759 10.8759 11.0630 11.0630 11.1092 11.1092 11.2424 11.2424 k = 0.3714 0.2144-0.0000 ( 4770 PWs) bands (ev): -20.7246 -20.7246 -20.5629 -20.5629 -19.5909 -19.5909 -19.5824 -19.5824 -5.9681 -5.9681 -5.5015 -5.5015 -5.1838 -5.1838 -4.8669 -4.8669 -4.7176 -4.7176 -4.4891 -4.4891 -4.2251 -4.2251 -4.0591 -4.0591 -3.9882 -3.9882 -3.7391 -3.7391 -3.5301 -3.5301 -3.3127 -3.3127 -2.8603 -2.8603 -2.7481 -2.7481 5.2377 5.2377 5.6978 5.6978 5.7362 5.7362 5.8116 5.8116 6.0279 6.0279 6.0652 6.0652 9.8597 9.8597 10.9324 10.9324 11.0698 11.0698 11.1185 11.1185 11.2418 11.2418 k = 0.3857 0.2227-0.0000 ( 4766 PWs) bands (ev): -20.7239 -20.7239 -20.5629 -20.5629 -19.5914 -19.5914 -19.5824 -19.5824 -5.9711 -5.9711 -5.5048 -5.5048 -5.1938 -5.1938 -4.8705 -4.8705 -4.7304 -4.7304 -4.4910 -4.4910 -4.2261 -4.2261 -4.0538 -4.0538 -3.9870 -3.9870 -3.7312 -3.7312 -3.5310 -3.5310 -3.3081 -3.3081 -2.8449 -2.8449 -2.7387 -2.7387 5.2232 5.2232 5.7137 5.7137 5.7568 5.7568 5.8242 5.8242 6.0225 6.0225 6.0599 6.0599 9.8307 9.8307 10.9907 10.9907 11.0344 11.0344 11.1685 11.1685 11.2412 11.2412 k = 0.4000 0.2309-0.0000 ( 4760 PWs) bands (ev): -20.7233 -20.7233 -20.5628 -20.5628 -19.5920 -19.5920 -19.5824 -19.5824 -5.9737 -5.9737 -5.5079 -5.5079 -5.2027 -5.2027 -4.8734 -4.8734 -4.7422 -4.7422 -4.4926 -4.4926 -4.2270 -4.2270 -4.0509 -4.0509 -3.9836 -3.9836 -3.7238 -3.7238 -3.5323 -3.5323 -3.3038 -3.3038 -2.8317 -2.8317 -2.7300 -2.7300 5.2103 5.2103 5.7285 5.7285 5.7756 5.7756 5.8368 5.8368 6.0160 6.0160 6.0559 6.0559 9.8017 9.8017 10.9975 10.9975 11.0523 11.0523 11.2170 11.2170 11.2407 11.2407 k = 0.4143 0.2392-0.0000 ( 4764 PWs) bands (ev): -20.7228 -20.7228 -20.5628 -20.5628 -19.5924 -19.5924 -19.5824 -19.5824 -5.9761 -5.9761 -5.5106 -5.5106 -5.2103 -5.2103 -4.8758 -4.8758 -4.7528 -4.7528 -4.4940 -4.4940 -4.2277 -4.2277 -4.0500 -4.0500 -3.9790 -3.9790 -3.7170 -3.7170 -3.5337 -3.5337 -3.2998 -3.2998 -2.8209 -2.8209 -2.7221 -2.7221 5.1989 5.1989 5.7418 5.7418 5.7922 5.7922 5.8495 5.8495 6.0093 6.0093 6.0522 6.0522 9.7738 9.7738 10.9649 10.9649 11.1112 11.1112 11.2402 11.2402 11.2626 11.2626 k = 0.4286 0.2474-0.0000 ( 4768 PWs) bands (ev): -20.7223 -20.7223 -20.5627 -20.5627 -19.5928 -19.5928 -19.5824 -19.5824 -5.9781 -5.9781 -5.5131 -5.5131 -5.2168 -5.2168 -4.8775 -4.8775 -4.7622 -4.7622 -4.4951 -4.4951 -4.2282 -4.2282 -4.0502 -4.0502 -3.9738 -3.9738 -3.7109 -3.7109 -3.5351 -3.5351 -3.2962 -3.2962 -2.8123 -2.8123 -2.7150 -2.7150 5.1891 5.1891 5.7537 5.7537 5.8060 5.8060 5.8621 5.8621 6.0030 6.0030 6.0486 6.0486 9.7481 9.7481 10.9356 10.9356 11.1677 11.1677 11.2399 11.2399 11.3040 11.3040 k = 0.4429 0.2557-0.0000 ( 4774 PWs) bands (ev): -20.7219 -20.7219 -20.5627 -20.5627 -19.5932 -19.5932 -19.5824 -19.5824 -5.9798 -5.9798 -5.5151 -5.5151 -5.2221 -5.2221 -4.8787 -4.8787 -4.7701 -4.7701 -4.4961 -4.4961 -4.2286 -4.2286 -4.0510 -4.0510 -3.9689 -3.9689 -3.7056 -3.7056 -3.5365 -3.5365 -3.2932 -3.2932 -2.8057 -2.8057 -2.7089 -2.7089 5.1811 5.1811 5.7637 5.7637 5.8169 5.8169 5.8743 5.8743 5.9974 5.9974 6.0448 6.0448 9.7256 9.7256 10.9106 10.9106 11.2185 11.2185 11.2400 11.2400 11.3402 11.3402 k = 0.4571 0.2639-0.0000 ( 4780 PWs) bands (ev): -20.7216 -20.7216 -20.5627 -20.5627 -19.5934 -19.5934 -19.5824 -19.5824 -5.9811 -5.9811 -5.5167 -5.5167 -5.2262 -5.2262 -4.8795 -4.8795 -4.7766 -4.7766 -4.4968 -4.4968 -4.2289 -4.2289 -4.0519 -4.0519 -3.9646 -3.9646 -3.7014 -3.7014 -3.5377 -3.5377 -3.2908 -3.2908 -2.8009 -2.8009 -2.7039 -2.7039 5.1747 5.1747 5.7718 5.7718 5.8251 5.8251 5.8854 5.8854 5.9927 5.9927 6.0412 6.0412 9.7072 9.7072 10.8906 10.8906 11.2386 11.2386 11.2629 11.2629 11.3700 11.3700 k = 0.4714 0.2722-0.0000 ( 4766 PWs) bands (ev): -20.7214 -20.7214 -20.5627 -20.5627 -19.5936 -19.5936 -19.5824 -19.5824 -5.9821 -5.9821 -5.5179 -5.5179 -5.2292 -5.2292 -4.8800 -4.8800 -4.7813 -4.7813 -4.4973 -4.4973 -4.2291 -4.2291 -4.0527 -4.0527 -3.9614 -3.9614 -3.6983 -3.6983 -3.5386 -3.5386 -3.2890 -3.2890 -2.7977 -2.7977 -2.7002 -2.7002 5.1702 5.1702 5.7778 5.7778 5.8307 5.8307 5.8945 5.8945 5.9891 5.9891 6.0381 6.0381 9.6935 9.6935 10.8761 10.8761 11.2388 11.2388 11.2952 11.2952 11.3922 11.3922 k = 0.4857 0.2804-0.0000 ( 4770 PWs) bands (ev): -20.7213 -20.7213 -20.5626 -20.5626 -19.5938 -19.5938 -19.5825 -19.5825 -5.9827 -5.9827 -5.5186 -5.5186 -5.2309 -5.2309 -4.8802 -4.8802 -4.7842 -4.7842 -4.4976 -4.4976 -4.2292 -4.2292 -4.0532 -4.0532 -3.9594 -3.9594 -3.6964 -3.6964 -3.5392 -3.5392 -3.2879 -3.2879 -2.7958 -2.7958 -2.6979 -2.6979 5.1674 5.1674 5.7814 5.7814 5.8339 5.8339 5.9005 5.9005 5.9867 5.9867 6.0360 6.0360 9.6851 9.6851 10.8672 10.8672 11.2387 11.2387 11.3154 11.3154 11.4060 11.4060 k = 0.5000 0.2887-0.0000 ( 4772 PWs) bands (ev): -20.7212 -20.7212 -20.5626 -20.5626 -19.5938 -19.5938 -19.5825 -19.5825 -5.9829 -5.9829 -5.5188 -5.5188 -5.2315 -5.2315 -4.8803 -4.8803 -4.7852 -4.7852 -4.4977 -4.4977 -4.2292 -4.2292 -4.0534 -4.0534 -3.9587 -3.9587 -3.6958 -3.6958 -3.5394 -3.5394 -3.2875 -3.2875 -2.7952 -2.7952 -2.6971 -2.6971 5.1665 5.1665 5.7826 5.7826 5.8350 5.8350 5.9026 5.9026 5.9859 5.9859 6.0352 6.0352 9.6822 9.6822 10.8642 10.8642 11.2387 11.2387 11.3223 11.3223 11.4106 11.4106 k = 0.5000 0.2887-0.0000 ( 4772 PWs) bands (ev): -20.7212 -20.7212 -20.5626 -20.5626 -19.5938 -19.5938 -19.5825 -19.5825 -5.9829 -5.9829 -5.5188 -5.5188 -5.2315 -5.2315 -4.8803 -4.8803 -4.7852 -4.7852 -4.4977 -4.4977 -4.2292 -4.2292 -4.0534 -4.0534 -3.9587 -3.9587 -3.6958 -3.6958 -3.5394 -3.5394 -3.2875 -3.2875 -2.7952 -2.7952 -2.6971 -2.6971 5.1665 5.1665 5.7826 5.7826 5.8350 5.8350 5.9026 5.9026 5.9859 5.9859 6.0352 6.0352 9.6822 9.6822 10.8642 10.8642 11.2387 11.2387 11.3223 11.3223 11.4106 11.4106 k = 0.4917 0.3031-0.0000 ( 4772 PWs) bands (ev): -20.7212 -20.7212 -20.5626 -20.5626 -19.5938 -19.5938 -19.5825 -19.5825 -5.9826 -5.9826 -5.5194 -5.5194 -5.2324 -5.2324 -4.8850 -4.8850 -4.7788 -4.7788 -4.4983 -4.4983 -4.2306 -4.2306 -4.0513 -4.0513 -3.9590 -3.9590 -3.6959 -3.6959 -3.5387 -3.5387 -3.2888 -3.2888 -2.7954 -2.7954 -2.6964 -2.6964 5.1679 5.1679 5.7694 5.7694 5.8434 5.8434 5.9085 5.9085 5.9859 5.9859 6.0339 6.0339 9.6828 9.6828 10.8455 10.8455 11.2406 11.2406 11.3212 11.3212 11.4324 11.4324 k = 0.4833 0.3175-0.0000 ( 4774 PWs) bands (ev): -20.7212 -20.7212 -20.5626 -20.5626 -19.5937 -19.5937 -19.5826 -19.5826 -5.9818 -5.9818 -5.5212 -5.5212 -5.2351 -5.2351 -4.8964 -4.8964 -4.7625 -4.7625 -4.4999 -4.4999 -4.2347 -4.2347 -4.0452 -4.0452 -3.9601 -3.9601 -3.6961 -3.6961 -3.5366 -3.5366 -3.2924 -3.2924 -2.7962 -2.7962 -2.6945 -2.6945 5.1719 5.1719 5.7434 5.7434 5.8552 5.8552 5.9258 5.9258 5.9859 5.9859 6.0299 6.0299 9.6847 9.6847 10.7963 10.7963 11.2463 11.2463 11.3180 11.3180 11.4905 11.4905 k = 0.4750 0.3320-0.0000 ( 4782 PWs) bands (ev): -20.7211 -20.7211 -20.5626 -20.5626 -19.5937 -19.5937 -19.5827 -19.5827 -5.9805 -5.9805 -5.5240 -5.5240 -5.2394 -5.2394 -4.9102 -4.9102 -4.7405 -4.7405 -4.5025 -4.5025 -4.2407 -4.2407 -4.0358 -4.0358 -3.9619 -3.9619 -3.6964 -3.6964 -3.5332 -3.5332 -3.2983 -3.2983 -2.7974 -2.7974 -2.6914 -2.6914 5.1787 5.1787 5.7144 5.7144 5.8635 5.8635 5.9507 5.9507 5.9867 5.9867 6.0233 6.0233 9.6877 9.6877 10.7298 10.7298 11.2555 11.2555 11.3122 11.3122 11.5717 11.5717 k = 0.4667 0.3464-0.0000 ( 4790 PWs) bands (ev): -20.7210 -20.7210 -20.5626 -20.5626 -19.5936 -19.5936 -19.5829 -19.5829 -5.9788 -5.9788 -5.5279 -5.5279 -5.2454 -5.2454 -4.9241 -4.9241 -4.7156 -4.7156 -4.5059 -4.5059 -4.2479 -4.2479 -4.0240 -4.0240 -3.9644 -3.9644 -3.6966 -3.6966 -3.5286 -3.5286 -3.3063 -3.3063 -2.7990 -2.7990 -2.6872 -2.6872 5.1880 5.1880 5.6851 5.6851 5.8697 5.8697 5.9724 5.9724 5.9950 5.9950 6.0142 6.0142 9.6916 9.6916 10.6553 10.6553 11.2679 11.2679 11.3033 11.3033 11.6665 11.6665 k = 0.4583 0.3608-0.0000 ( 4788 PWs) bands (ev): -20.7209 -20.7209 -20.5626 -20.5626 -19.5935 -19.5935 -19.5831 -19.5831 -5.9766 -5.9766 -5.5327 -5.5327 -5.2528 -5.2528 -4.9371 -4.9371 -4.6889 -4.6889 -4.5099 -4.5099 -4.2558 -4.2558 -4.0107 -4.0107 -3.9675 -3.9675 -3.6966 -3.6966 -3.5230 -3.5230 -3.3163 -3.3163 -2.8010 -2.8010 -2.6822 -2.6822 5.1999 5.1999 5.6565 5.6565 5.8755 5.8755 5.9772 5.9772 6.0028 6.0028 6.0217 6.0217 9.6963 9.6963 10.5781 10.5781 11.2814 11.2814 11.2925 11.2925 11.7512 11.7512 k = 0.4500 0.3753-0.0000 ( 4796 PWs) bands (ev): -20.7207 -20.7207 -20.5626 -20.5626 -19.5933 -19.5933 -19.5834 -19.5834 -5.9739 -5.9739 -5.5383 -5.5383 -5.2615 -5.2615 -4.9488 -4.9488 -4.6615 -4.6615 -4.5141 -4.5141 -4.2637 -4.2637 -3.9968 -3.9968 -3.9713 -3.9713 -3.6961 -3.6961 -3.5165 -3.5165 -3.3279 -3.3279 -2.8032 -2.8032 -2.6765 -2.6765 5.2141 5.2141 5.6290 5.6290 5.8814 5.8814 5.9764 5.9764 5.9895 5.9895 6.0540 6.0540 9.7013 9.7013 10.5013 10.5013 11.2725 11.2725 11.3026 11.3026 11.7586 11.7586 k = 0.4417 0.3897-0.0000 ( 4796 PWs) bands (ev): -20.7206 -20.7206 -20.5626 -20.5626 -19.5931 -19.5931 -19.5837 -19.5837 -5.9709 -5.9709 -5.5445 -5.5445 -5.2712 -5.2712 -4.9591 -4.9591 -4.6345 -4.6345 -4.5179 -4.5179 -4.2715 -4.2715 -3.9840 -3.9840 -3.9747 -3.9747 -3.6948 -3.6948 -3.5094 -3.5094 -3.3410 -3.3410 -2.8056 -2.8056 -2.6704 -2.6704 5.2305 5.2305 5.6029 5.6029 5.8876 5.8876 5.9705 5.9705 5.9782 5.9782 6.0870 6.0870 9.7064 9.7064 10.4266 10.4266 11.2534 11.2534 11.3210 11.3210 11.7713 11.7713 k = 0.4333 0.4041-0.0000 ( 4800 PWs) bands (ev): -20.7204 -20.7204 -20.5626 -20.5626 -19.5929 -19.5929 -19.5841 -19.5841 -5.9677 -5.9677 -5.5512 -5.5512 -5.2817 -5.2817 -4.9679 -4.9679 -4.6092 -4.6092 -4.5199 -4.5199 -4.2787 -4.2787 -3.9834 -3.9834 -3.9671 -3.9671 -3.6925 -3.6925 -3.5019 -3.5019 -3.3552 -3.3552 -2.8081 -2.8081 -2.6641 -2.6641 5.2488 5.2488 5.5785 5.5785 5.8941 5.8941 5.9542 5.9542 5.9750 5.9750 6.1197 6.1197 9.7113 9.7113 10.3549 10.3549 11.2322 11.2322 11.3397 11.3397 11.7899 11.7899 k = 0.4250 0.4186-0.0000 ( 4792 PWs) bands (ev): -20.7202 -20.7202 -20.5625 -20.5625 -19.5927 -19.5927 -19.5845 -19.5845 -5.9642 -5.9642 -5.5583 -5.5583 -5.2926 -5.2926 -4.9754 -4.9754 -4.5886 -4.5886 -4.5176 -4.5176 -4.2852 -4.2852 -3.9893 -3.9893 -3.9545 -3.9545 -3.6890 -3.6890 -3.4943 -3.4943 -3.3702 -3.3702 -2.8107 -2.8107 -2.6577 -2.6577 5.2689 5.2689 5.5559 5.5559 5.9007 5.9007 5.9352 5.9352 5.9728 5.9728 6.1514 6.1514 9.7154 9.7154 10.2872 10.2872 11.2105 11.2105 11.3566 11.3566 11.8139 11.8139 k = 0.4167 0.4330-0.0000 ( 4798 PWs) bands (ev): -20.7200 -20.7200 -20.5625 -20.5625 -19.5925 -19.5925 -19.5849 -19.5849 -5.9605 -5.9605 -5.5655 -5.5655 -5.3037 -5.3037 -4.9816 -4.9816 -4.5765 -4.5765 -4.5074 -4.5074 -4.2909 -4.2909 -3.9962 -3.9962 -3.9429 -3.9429 -3.6839 -3.6839 -3.4868 -3.4868 -3.3859 -3.3859 -2.8132 -2.8132 -2.6513 -2.6513 5.2905 5.2905 5.5353 5.5353 5.9058 5.9058 5.9164 5.9164 5.9707 5.9707 6.1818 6.1818 9.7187 9.7187 10.2240 10.2240 11.1899 11.1899 11.3697 11.3697 11.8426 11.8426 k = 0.4083 0.4474-0.0000 ( 4786 PWs) bands (ev): -20.7198 -20.7198 -20.5625 -20.5625 -19.5922 -19.5922 -19.5853 -19.5853 -5.9568 -5.9568 -5.5727 -5.5727 -5.3147 -5.3147 -4.9868 -4.9868 -4.5730 -4.5730 -4.4895 -4.4895 -4.2955 -4.2955 -4.0039 -4.0039 -3.9326 -3.9326 -3.6773 -3.6773 -3.4798 -3.4798 -3.4018 -3.4018 -2.8155 -2.8155 -2.6453 -2.6453 5.3131 5.3131 5.5169 5.5169 5.8909 5.8909 5.9162 5.9162 5.9686 5.9686 6.2104 6.2104 9.7207 9.7207 10.1657 10.1657 11.1717 11.1717 11.3768 11.3768 11.8749 11.8749 k = 0.4000 0.4619-0.0000 ( 4786 PWs) bands (ev): -20.7196 -20.7196 -20.5625 -20.5625 -19.5920 -19.5920 -19.5858 -19.5858 -5.9532 -5.9532 -5.5796 -5.5796 -5.3254 -5.3254 -4.9910 -4.9910 -4.5743 -4.5743 -4.4682 -4.4682 -4.2990 -4.2990 -4.0122 -4.0122 -3.9238 -3.9238 -3.6689 -3.6689 -3.4737 -3.4737 -3.4175 -3.4175 -2.8177 -2.8177 -2.6395 -2.6395 5.3363 5.3363 5.5007 5.5007 5.8687 5.8687 5.9226 5.9226 5.9666 5.9666 6.2371 6.2371 9.7214 9.7214 10.1127 10.1127 11.1572 11.1572 11.3764 11.3764 11.9063 11.9063 k = 0.3917 0.4763-0.0000 ( 4794 PWs) bands (ev): -20.7194 -20.7194 -20.5625 -20.5625 -19.5917 -19.5917 -19.5863 -19.5863 -5.9497 -5.9497 -5.5862 -5.5862 -5.3354 -5.3354 -4.9944 -4.9944 -4.5775 -4.5775 -4.4469 -4.4469 -4.3011 -4.3011 -4.0207 -4.0207 -3.9167 -3.9167 -3.6589 -3.6589 -3.4699 -3.4699 -3.4318 -3.4318 -2.8196 -2.8196 -2.6343 -2.6343 5.3596 5.3596 5.4869 5.4869 5.8458 5.8458 5.9288 5.9288 5.9648 5.9648 6.2615 6.2615 9.7207 9.7207 10.0652 10.0652 11.1471 11.1471 11.3681 11.3681 11.9205 11.9205 k = 0.3833 0.4907-0.0000 ( 4794 PWs) bands (ev): -20.7192 -20.7192 -20.5625 -20.5625 -19.5914 -19.5914 -19.5867 -19.5867 -5.9464 -5.9464 -5.5923 -5.5923 -5.3446 -5.3446 -4.9971 -4.9971 -4.5811 -4.5811 -4.4276 -4.4276 -4.3016 -4.3016 -4.0293 -4.0293 -3.9110 -3.9110 -3.6473 -3.6473 -3.4713 -3.4713 -3.4415 -3.4415 -2.8212 -2.8212 -2.6295 -2.6295 5.3824 5.3824 5.4756 5.4756 5.8231 5.8231 5.9345 5.9345 5.9633 5.9633 6.2832 6.2832 9.7187 9.7187 10.0237 10.0237 11.1420 11.1420 11.3527 11.3527 11.9436 11.9436 k = 0.3750 0.5052-0.0000 ( 4790 PWs) bands (ev): -20.7190 -20.7190 -20.5624 -20.5624 -19.5910 -19.5910 -19.5872 -19.5872 -5.9435 -5.9435 -5.5977 -5.5977 -5.3528 -5.3528 -4.9993 -4.9993 -4.5847 -4.5847 -4.4113 -4.4113 -4.3002 -4.3002 -4.0375 -4.0375 -3.9067 -3.9067 -3.6346 -3.6346 -3.4808 -3.4808 -3.4440 -3.4440 -2.8224 -2.8224 -2.6254 -2.6254 5.4036 5.4036 5.4669 5.4669 5.8014 5.8014 5.9394 5.9394 5.9622 5.9622 6.3021 6.3021 9.7157 9.7157 9.9882 9.9882 11.1420 11.1420 11.3322 11.3322 11.9737 11.9737 k = 0.3667 0.5196-0.0000 ( 4796 PWs) bands (ev): -20.7189 -20.7189 -20.5624 -20.5624 -19.5907 -19.5907 -19.5877 -19.5877 -5.9410 -5.9410 -5.6023 -5.6023 -5.3597 -5.3597 -5.0009 -5.0009 -4.5879 -4.5879 -4.3989 -4.3989 -4.2972 -4.2972 -4.0450 -4.0450 -3.9036 -3.9036 -3.6208 -3.6208 -3.4947 -3.4947 -3.4426 -3.4426 -2.8234 -2.8234 -2.6219 -2.6219 5.4219 5.4219 5.4612 5.4612 5.7814 5.7814 5.9431 5.9431 5.9618 5.9618 6.3179 6.3179 9.7121 9.7121 9.9590 9.9590 11.1471 11.1471 11.3084 11.3084 12.0080 12.0080 k = 0.3583 0.5340-0.0000 ( 4804 PWs) bands (ev): -20.7187 -20.7187 -20.5624 -20.5624 -19.5904 -19.5904 -19.5881 -19.5881 -5.9390 -5.9390 -5.6060 -5.6060 -5.3653 -5.3653 -5.0022 -5.0022 -4.5905 -4.5905 -4.3904 -4.3904 -4.2931 -4.2931 -4.0512 -4.0512 -3.9014 -3.9014 -3.6064 -3.6064 -3.5099 -3.5099 -3.4406 -3.4406 -2.8240 -2.8240 -2.6192 -2.6192 5.4353 5.4353 5.4596 5.4596 5.7643 5.7643 5.9455 5.9455 5.9620 5.9620 6.3304 6.3304 9.7083 9.7083 9.9361 9.9361 11.1569 11.1569 11.2833 11.2833 12.0427 12.0427 k = 0.3500 0.5485-0.0000 ( 4804 PWs) bands (ev): -20.7186 -20.7186 -20.5624 -20.5624 -19.5900 -19.5900 -19.5886 -19.5886 -5.9375 -5.9375 -5.6087 -5.6087 -5.3694 -5.3694 -5.0030 -5.0030 -4.5924 -4.5924 -4.3851 -4.3851 -4.2891 -4.2891 -4.0558 -4.0558 -3.9000 -3.9000 -3.5919 -3.5919 -3.5251 -3.5251 -3.4389 -3.4389 -2.8244 -2.8244 -2.6172 -2.6172 5.4420 5.4420 5.4624 5.4624 5.7512 5.7512 5.9469 5.9469 5.9626 5.9626 6.3395 6.3395 9.7049 9.7049 9.9198 9.9198 11.1711 11.1711 11.2583 11.2583 12.0737 12.0737 k = 0.3417 0.5629-0.0000 ( 4790 PWs) bands (ev): -20.7186 -20.7186 -20.5624 -20.5624 -19.5897 -19.5897 -19.5890 -19.5890 -5.9367 -5.9367 -5.6103 -5.6103 -5.3719 -5.3719 -5.0035 -5.0035 -4.5935 -4.5935 -4.3824 -4.3824 -4.2863 -4.2863 -4.0586 -4.0586 -3.8992 -3.8992 -3.5783 -3.5783 -3.5390 -3.5390 -3.4379 -3.4379 -2.8245 -2.8245 -2.6159 -2.6159 5.4446 5.4446 5.4659 5.4659 5.7431 5.7431 5.9475 5.9475 5.9631 5.9631 6.3450 6.3450 9.7024 9.7024 9.9100 9.9100 11.1885 11.1885 11.2345 11.2345 12.0953 12.0953 k = 0.3333 0.5774-0.0000 ( 4794 PWs) bands (ev): -20.7185 -20.7185 -20.5624 -20.5624 -19.5893 -19.5893 -19.5893 -19.5893 -5.9364 -5.9364 -5.6109 -5.6109 -5.3727 -5.3727 -5.0037 -5.0037 -4.5939 -4.5939 -4.3816 -4.3816 -4.2853 -4.2853 -4.0595 -4.0595 -3.8990 -3.8990 -3.5707 -3.5707 -3.5466 -3.5466 -3.4375 -3.4375 -2.8246 -2.8246 -2.6155 -2.6155 5.4457 5.4457 5.4668 5.4668 5.7405 5.7405 5.9477 5.9477 5.9634 5.9634 6.3468 6.3468 9.7015 9.7015 9.9067 9.9067 11.2034 11.2034 11.2177 11.2177 12.1028 12.1028 k = 0.3333 0.5774-0.0000 ( 4794 PWs) bands (ev): -20.7185 -20.7185 -20.5624 -20.5624 -19.5893 -19.5893 -19.5893 -19.5893 -5.9364 -5.9364 -5.6109 -5.6109 -5.3727 -5.3727 -5.0037 -5.0037 -4.5939 -4.5939 -4.3816 -4.3816 -4.2853 -4.2853 -4.0595 -4.0595 -3.8990 -3.8990 -3.5707 -3.5707 -3.5466 -3.5466 -3.4375 -3.4375 -2.8246 -2.8246 -2.6155 -2.6155 5.4457 5.4457 5.4668 5.4668 5.7405 5.7405 5.9477 5.9477 5.9634 5.9634 6.3468 6.3468 9.7015 9.7015 9.9067 9.9067 11.2034 11.2034 11.2177 11.2177 12.1028 12.1028 k = 0.3250 0.5629-0.0000 ( 4776 PWs) bands (ev): -20.7186 -20.7186 -20.5624 -20.5624 -19.5897 -19.5897 -19.5890 -19.5890 -5.9366 -5.9366 -5.6103 -5.6103 -5.3719 -5.3719 -5.0035 -5.0035 -4.5935 -4.5935 -4.3823 -4.3823 -4.2863 -4.2863 -4.0587 -4.0587 -3.8992 -3.8992 -3.5781 -3.5781 -3.5392 -3.5392 -3.4379 -3.4379 -2.8246 -2.8246 -2.6159 -2.6159 5.4432 5.4432 5.4675 5.4675 5.7428 5.7428 5.9475 5.9475 5.9632 5.9632 6.3450 6.3450 9.7026 9.7026 9.9100 9.9100 11.1880 11.1880 11.2346 11.2346 12.0962 12.0962 k = 0.3167 0.5485-0.0000 ( 4794 PWs) bands (ev): -20.7186 -20.7186 -20.5624 -20.5624 -19.5900 -19.5900 -19.5886 -19.5886 -5.9374 -5.9374 -5.6087 -5.6087 -5.3693 -5.3693 -5.0030 -5.0030 -4.5924 -4.5924 -4.3844 -4.3844 -4.2887 -4.2887 -4.0569 -4.0569 -3.8998 -3.8998 -3.5911 -3.5911 -3.5263 -3.5263 -3.4387 -3.4387 -2.8246 -2.8246 -2.6173 -2.6173 5.4344 5.4344 5.4718 5.4718 5.7489 5.7489 5.9465 5.9465 5.9630 5.9630 6.3395 6.3395 9.7062 9.7062 9.9196 9.9196 11.1684 11.1684 11.2583 11.2583 12.0772 12.0772 k = 0.3083 0.5340-0.0000 ( 4802 PWs) bands (ev): -20.7188 -20.7188 -20.5624 -20.5624 -19.5902 -19.5902 -19.5883 -19.5883 -5.9386 -5.9386 -5.6060 -5.6060 -5.3651 -5.3651 -5.0021 -5.0021 -4.5906 -4.5906 -4.3878 -4.3878 -4.2919 -4.2919 -4.0545 -4.0545 -3.9009 -3.9009 -3.6048 -3.6048 -3.5129 -3.5129 -3.4400 -3.4400 -2.8248 -2.8248 -2.6195 -2.6195 5.4204 5.4204 5.4798 5.4798 5.7572 5.7572 5.9441 5.9441 5.9634 5.9634 6.3306 6.3306 9.7127 9.7127 9.9353 9.9353 11.1489 11.1489 11.2824 11.2824 12.0469 12.0469 k = 0.3000 0.5196-0.0000 ( 4794 PWs) bands (ev): -20.7189 -20.7189 -20.5624 -20.5624 -19.5904 -19.5904 -19.5879 -19.5879 -5.9401 -5.9401 -5.6024 -5.6024 -5.3593 -5.3593 -5.0009 -5.0009 -4.5883 -4.5883 -4.3926 -4.3926 -4.2950 -4.2950 -4.0521 -4.0521 -3.9023 -3.9023 -3.6184 -3.6184 -3.5001 -3.5001 -3.4415 -3.4415 -2.8252 -2.8252 -2.6228 -2.6228 5.4035 5.4035 5.4904 5.4904 5.7664 5.7664 5.9401 5.9401 5.9648 5.9648 6.3183 6.3183 9.7223 9.7223 9.9570 9.9570 11.1287 11.1287 11.3059 11.3059 12.0093 12.0093 k = 0.2917 0.5052-0.0000 ( 4798 PWs) bands (ev): -20.7192 -20.7192 -20.5625 -20.5625 -19.5905 -19.5905 -19.5876 -19.5876 -5.9419 -5.9419 -5.5978 -5.5978 -5.3519 -5.3519 -4.9992 -4.9992 -4.5853 -4.5853 -4.3990 -4.3990 -4.2975 -4.2975 -4.0502 -4.0502 -3.9042 -3.9042 -3.6317 -3.6317 -3.4882 -3.4882 -3.4430 -3.4430 -2.8259 -2.8259 -2.6270 -2.6270 5.3854 5.3854 5.5029 5.5029 5.7753 5.7753 5.9342 5.9342 5.9674 5.9674 6.3029 6.3029 9.7351 9.7351 9.9844 9.9844 11.1066 11.1066 11.3275 11.3275 11.9700 11.9700 k = 0.2833 0.4907-0.0000 ( 4798 PWs) bands (ev): -20.7195 -20.7195 -20.5625 -20.5625 -19.5906 -19.5906 -19.5872 -19.5872 -5.9438 -5.9438 -5.5924 -5.5924 -5.3429 -5.3429 -4.9970 -4.9970 -4.5819 -4.5819 -4.4066 -4.4066 -4.2988 -4.2988 -4.0491 -4.0491 -3.9064 -3.9064 -3.6446 -3.6446 -3.4776 -3.4776 -3.4445 -3.4445 -2.8270 -2.8270 -2.6324 -2.6324 5.3669 5.3669 5.5169 5.5169 5.7830 5.7830 5.9267 5.9267 5.9711 5.9711 6.2846 6.2846 9.7513 9.7513 10.0169 10.0169 11.0810 11.0810 11.3461 11.3461 11.9282 11.9282 k = 0.2750 0.4763-0.0000 ( 4794 PWs) bands (ev): -20.7198 -20.7198 -20.5625 -20.5625 -19.5906 -19.5906 -19.5869 -19.5869 -5.9457 -5.9457 -5.5863 -5.5863 -5.3325 -5.3325 -4.9944 -4.9944 -4.5782 -4.5782 -4.4154 -4.4154 -4.2987 -4.2987 -4.0489 -4.0489 -3.9092 -3.9092 -3.6571 -3.6571 -3.4687 -3.4687 -3.4455 -3.4455 -2.8287 -2.8287 -2.6388 -2.6388 5.3490 5.3490 5.5322 5.5322 5.7891 5.7891 5.9179 5.9179 5.9758 5.9758 6.2637 6.2637 9.7706 9.7706 10.0542 10.0542 11.0507 11.0507 11.3606 11.3606 11.8776 11.8776 k = 0.2667 0.4619-0.0000 ( 4790 PWs) bands (ev): -20.7202 -20.7202 -20.5625 -20.5625 -19.5905 -19.5905 -19.5866 -19.5866 -5.9475 -5.9475 -5.5795 -5.5795 -5.3208 -5.3208 -4.9912 -4.9912 -4.5741 -4.5741 -4.4250 -4.4250 -4.2973 -4.2973 -4.0499 -4.0499 -3.9123 -3.9123 -3.6693 -3.6693 -3.4619 -3.4619 -3.4457 -3.4457 -2.8311 -2.8311 -2.6464 -2.6464 5.3320 5.3320 5.5483 5.5483 5.7929 5.7929 5.9077 5.9077 5.9815 5.9815 6.2408 6.2408 9.7928 9.7928 10.0957 10.0957 11.0151 11.0151 11.3700 11.3700 11.8239 11.8239 k = 0.2583 0.4474-0.0000 ( 4776 PWs) bands (ev): -20.7207 -20.7207 -20.5626 -20.5626 -19.5904 -19.5904 -19.5863 -19.5863 -5.9491 -5.9491 -5.5723 -5.5723 -5.3078 -5.3078 -4.9873 -4.9873 -4.5699 -4.5699 -4.4348 -4.4348 -4.2945 -4.2945 -4.0520 -4.0520 -3.9157 -3.9157 -3.6810 -3.6810 -3.4576 -3.4576 -3.4445 -3.4445 -2.8342 -2.8342 -2.6552 -2.6552 5.3166 5.3166 5.5648 5.5648 5.7945 5.7945 5.8965 5.8965 5.9880 5.9880 6.2161 6.2161 9.8175 9.8175 10.1408 10.1408 10.9741 10.9741 11.3729 11.3729 11.7693 11.7693 k = 0.2500 0.4330-0.0000 ( 4784 PWs) bands (ev): -20.7213 -20.7213 -20.5626 -20.5626 -19.5902 -19.5902 -19.5860 -19.5860 -5.9504 -5.9504 -5.5646 -5.5646 -5.2936 -5.2936 -4.9828 -4.9828 -4.5656 -4.5656 -4.4446 -4.4446 -4.2906 -4.2906 -4.0552 -4.0552 -3.9194 -3.9194 -3.6925 -3.6925 -3.4556 -3.4556 -3.4424 -3.4424 -2.8383 -2.8383 -2.6651 -2.6651 5.3029 5.3029 5.5814 5.5814 5.7934 5.7934 5.8844 5.8844 5.9954 5.9954 6.1903 6.1903 9.8441 9.8441 10.1886 10.1886 10.9288 10.9288 11.3684 11.3684 11.7152 11.7152 k = 0.2417 0.4186-0.0000 ( 4786 PWs) bands (ev): -20.7218 -20.7218 -20.5627 -20.5627 -19.5900 -19.5900 -19.5857 -19.5857 -5.9515 -5.9515 -5.5567 -5.5567 -5.2783 -5.2783 -4.9776 -4.9776 -4.5613 -4.5613 -4.4540 -4.4540 -4.2857 -4.2857 -4.0597 -4.0597 -3.9232 -3.9232 -3.7037 -3.7037 -3.4546 -3.4546 -3.4406 -3.4406 -2.8434 -2.8434 -2.6763 -2.6763 5.2914 5.2914 5.5974 5.5974 5.7898 5.7898 5.8714 5.8714 6.0034 6.0034 6.1639 6.1639 9.8719 9.8719 10.2382 10.2382 10.8804 10.8804 11.3553 11.3553 11.6632 11.6632 k = 0.2333 0.4041-0.0000 ( 4786 PWs) bands (ev): -20.7225 -20.7225 -20.5627 -20.5627 -19.5897 -19.5897 -19.5854 -19.5854 -5.9521 -5.9521 -5.5486 -5.5486 -5.2620 -5.2620 -4.9716 -4.9716 -4.5572 -4.5572 -4.4625 -4.4625 -4.2800 -4.2800 -4.0653 -4.0653 -3.9270 -3.9270 -3.7145 -3.7145 -3.4536 -3.4536 -3.4399 -3.4399 -2.8498 -2.8498 -2.6886 -2.6886 5.2823 5.2823 5.6124 5.6124 5.7838 5.7838 5.8578 5.8578 6.0119 6.0119 6.1378 6.1378 9.9001 9.9001 10.2886 10.2886 10.8308 10.8308 11.3324 11.3324 11.6147 11.6147 k = 0.2250 0.3897-0.0000 ( 4786 PWs) bands (ev): -20.7232 -20.7232 -20.5628 -20.5628 -19.5893 -19.5893 -19.5852 -19.5852 -5.9523 -5.9523 -5.5405 -5.5405 -5.2448 -5.2448 -4.9648 -4.9648 -4.5534 -4.5534 -4.4700 -4.4700 -4.2737 -4.2737 -4.0721 -4.0721 -3.9305 -3.9305 -3.7252 -3.7252 -3.4524 -3.4524 -3.4406 -3.4406 -2.8577 -2.8577 -2.7021 -2.7021 5.2758 5.2758 5.6257 5.6257 5.7753 5.7753 5.8436 5.8436 6.0202 6.0202 6.1133 6.1133 9.9279 9.9279 10.3386 10.3386 10.7815 10.7815 11.2994 11.2994 11.5708 11.5708 k = 0.2167 0.3753-0.0000 ( 4794 PWs) bands (ev): -20.7240 -20.7240 -20.5629 -20.5629 -19.5888 -19.5888 -19.5849 -19.5849 -5.9521 -5.9521 -5.5324 -5.5324 -5.2269 -5.2269 -4.9570 -4.9570 -4.5500 -4.5500 -4.4760 -4.4760 -4.2668 -4.2668 -4.0800 -4.0800 -3.9335 -3.9335 -3.7356 -3.7356 -3.4508 -3.4508 -3.4428 -3.4428 -2.8671 -2.8671 -2.7167 -2.7167 5.2719 5.2719 5.6364 5.6364 5.7646 5.7646 5.8291 5.8291 6.0266 6.0266 6.0928 6.0928 9.9541 9.9541 10.3868 10.3868 10.7342 10.7342 11.2565 11.2565 11.5317 11.5317 k = 0.2083 0.3608-0.0000 ( 4794 PWs) bands (ev): -20.7248 -20.7248 -20.5629 -20.5629 -19.5883 -19.5883 -19.5847 -19.5847 -5.9515 -5.9515 -5.5245 -5.5245 -5.2083 -5.2083 -4.9484 -4.9484 -4.5471 -4.5471 -4.4804 -4.4804 -4.2597 -4.2597 -4.0889 -4.0889 -3.9359 -3.9359 -3.7457 -3.7457 -3.4497 -3.4497 -3.4455 -3.4455 -2.8783 -2.8783 -2.7324 -2.7324 5.2709 5.2709 5.6440 5.6440 5.7520 5.7520 5.8143 5.8143 6.0265 6.0265 6.0814 6.0814 9.9777 9.9777 10.4319 10.4319 10.6902 10.6902 11.2050 11.2050 11.4970 11.4970 k = 0.2000 0.3464-0.0000 ( 4788 PWs) bands (ev): -20.7256 -20.7256 -20.5630 -20.5630 -19.5878 -19.5878 -19.5845 -19.5845 -5.9504 -5.9504 -5.5168 -5.5168 -5.1891 -5.1891 -4.9387 -4.9387 -4.5447 -4.5447 -4.4830 -4.4830 -4.2524 -4.2524 -4.0988 -4.0988 -3.9375 -3.9375 -3.7556 -3.7556 -3.4531 -3.4531 -3.4447 -3.4447 -2.8914 -2.8914 -2.7492 -2.7492 5.2727 5.2727 5.6474 5.6474 5.7378 5.7378 5.7994 5.7994 6.0173 6.0173 6.0828 6.0828 9.9976 9.9976 10.4722 10.4722 10.6507 10.6507 11.1466 11.1466 11.4656 11.4656 k = 0.1917 0.3320-0.0000 ( 4794 PWs) bands (ev): -20.7265 -20.7265 -20.5631 -20.5631 -19.5872 -19.5872 -19.5843 -19.5843 -5.9488 -5.9488 -5.5094 -5.5094 -5.1696 -5.1696 -4.9281 -4.9281 -4.5426 -4.5426 -4.4837 -4.4837 -4.2451 -4.2451 -4.1096 -4.1096 -3.9381 -3.9381 -3.7651 -3.7651 -3.4596 -3.4596 -3.4416 -3.4416 -2.9065 -2.9065 -2.7671 -2.7671 5.2774 5.2774 5.6462 5.6462 5.7224 5.7224 5.7845 5.7845 6.0040 6.0040 6.0922 6.0922 10.0127 10.0127 10.5064 10.5064 10.6165 10.6165 11.0829 11.0829 11.4368 11.4368 k = 0.1833 0.3175-0.0000 ( 4794 PWs) bands (ev): -20.7274 -20.7274 -20.5632 -20.5632 -19.5865 -19.5865 -19.5841 -19.5841 -5.9468 -5.9468 -5.5024 -5.5024 -5.1498 -5.1498 -4.9166 -4.9166 -4.5406 -4.5406 -4.4829 -4.4829 -4.2380 -4.2380 -4.1213 -4.1213 -3.9376 -3.9376 -3.7742 -3.7742 -3.4675 -3.4675 -3.4378 -3.4378 -2.9235 -2.9235 -2.7861 -2.7861 5.2848 5.2848 5.6399 5.6399 5.7060 5.7060 5.7696 5.7696 5.9915 5.9915 6.1053 6.1053 10.0220 10.0220 10.5333 10.5333 10.5884 10.5884 11.0154 11.0154 11.4103 11.4103 k = 0.1750 0.3031-0.0000 ( 4794 PWs) bands (ev): -20.7284 -20.7284 -20.5633 -20.5633 -19.5858 -19.5858 -19.5839 -19.5839 -5.9444 -5.9444 -5.4958 -5.4958 -5.1298 -5.1298 -4.9043 -4.9043 -4.5382 -4.5382 -4.4807 -4.4807 -4.2313 -4.2313 -4.1338 -4.1338 -3.9358 -3.9358 -3.7829 -3.7829 -3.4767 -3.4767 -3.4335 -3.4335 -2.9426 -2.9426 -2.8062 -2.8062 5.2949 5.2949 5.6287 5.6287 5.6889 5.6889 5.7550 5.7550 5.9814 5.9814 6.1203 6.1203 10.0247 10.0247 10.5521 10.5521 10.5669 10.5669 10.9454 10.9454 11.3859 11.3859 k = 0.1667 0.2887-0.0000 ( 4780 PWs) bands (ev): -20.7293 -20.7293 -20.5633 -20.5633 -19.5851 -19.5851 -19.5838 -19.5838 -5.9417 -5.9417 -5.4897 -5.4897 -5.1097 -5.1097 -4.8914 -4.8914 -4.5348 -4.5348 -4.4776 -4.4776 -4.2251 -4.2251 -4.1469 -4.1469 -3.9328 -3.9328 -3.7909 -3.7909 -3.4869 -3.4869 -3.4288 -3.4288 -2.9635 -2.9635 -2.8275 -2.8275 5.3072 5.3072 5.6133 5.6133 5.6716 5.6716 5.7406 5.7406 5.9738 5.9738 6.1366 6.1366 10.0200 10.0200 10.5525 10.5525 10.5624 10.5624 10.8739 10.8739 11.3637 11.3637 k = 0.1583 0.2742-0.0000 ( 4776 PWs) bands (ev): -20.7303 -20.7303 -20.5634 -20.5634 -19.5844 -19.5844 -19.5836 -19.5836 -5.9386 -5.9386 -5.4841 -5.4841 -5.0896 -5.0896 -4.8780 -4.8780 -4.5300 -4.5300 -4.4738 -4.4738 -4.2194 -4.2194 -4.1606 -4.1606 -3.9285 -3.9285 -3.7981 -3.7981 -3.4980 -3.4980 -3.4237 -3.4237 -2.9863 -2.9863 -2.8500 -2.8500 5.3213 5.3213 5.5946 5.5946 5.6543 5.6543 5.7265 5.7265 5.9684 5.9684 6.1538 6.1538 10.0073 10.0073 10.5456 10.5456 10.5645 10.5645 10.8024 10.8024 11.3437 11.3437 k = 0.1500 0.2598-0.0000 ( 4780 PWs) bands (ev): -20.7313 -20.7313 -20.5635 -20.5635 -19.5836 -19.5836 -19.5835 -19.5835 -5.9352 -5.9352 -5.4790 -5.4790 -5.0695 -5.0695 -4.8646 -4.8646 -4.5234 -4.5234 -4.4696 -4.4696 -4.2144 -4.2144 -4.1748 -4.1748 -3.9230 -3.9230 -3.8045 -3.8045 -3.5099 -3.5099 -3.4183 -3.4183 -3.0107 -3.0107 -2.8739 -2.8739 5.3365 5.3365 5.5736 5.5736 5.6380 5.6380 5.7128 5.7128 5.9646 5.9646 6.1717 6.1717 9.9860 9.9860 10.5461 10.5461 10.5590 10.5590 10.7320 10.7320 11.3259 11.3259 k = 0.1417 0.2454-0.0000 ( 4776 PWs) bands (ev): -20.7323 -20.7323 -20.5636 -20.5636 -19.5834 -19.5834 -19.5829 -19.5829 -5.9317 -5.9317 -5.4744 -5.4744 -5.0494 -5.0494 -4.8514 -4.8514 -4.5147 -4.5147 -4.4651 -4.4651 -4.2101 -4.2101 -4.1893 -4.1893 -3.9163 -3.9163 -3.8098 -3.8098 -3.5223 -3.5223 -3.4127 -3.4127 -3.0365 -3.0365 -2.8991 -2.8991 5.3518 5.3518 5.5512 5.5512 5.6237 5.6237 5.6996 5.6996 5.9615 5.9615 6.1902 6.1902 9.9560 9.9560 10.5471 10.5471 10.5542 10.5542 10.6641 10.6641 11.2325 11.2325 k = 0.1333 0.2309-0.0000 ( 4778 PWs) bands (ev): -20.7333 -20.7333 -20.5637 -20.5637 -19.5833 -19.5833 -19.5821 -19.5821 -5.9279 -5.9279 -5.4703 -5.4703 -5.0294 -5.0294 -4.8387 -4.8387 -4.5038 -4.5038 -4.4604 -4.4604 -4.2081 -4.2081 -4.2025 -4.2025 -3.9086 -3.9086 -3.8138 -3.8138 -3.5352 -3.5352 -3.4069 -3.4069 -3.0636 -3.0636 -2.9256 -2.9256 5.3655 5.3655 5.5280 5.5280 5.6131 5.6131 5.6870 5.6870 5.9589 5.9589 6.2091 6.2091 9.9174 9.9174 10.5299 10.5299 10.5698 10.5698 10.6001 10.6001 11.1302 11.1302 k = 0.1250 0.2165-0.0000 ( 4780 PWs) bands (ev): -20.7342 -20.7342 -20.5638 -20.5638 -19.5832 -19.5832 -19.5813 -19.5813 -5.9241 -5.9241 -5.4667 -5.4667 -5.0094 -5.0094 -4.8269 -4.8269 -4.4908 -4.4908 -4.4556 -4.4556 -4.2202 -4.2202 -4.2023 -4.2023 -3.9002 -3.9002 -3.8163 -3.8163 -3.5484 -3.5484 -3.4012 -3.4012 -3.0917 -3.0917 -2.9534 -2.9534 5.3758 5.3758 5.5048 5.5048 5.6080 5.6080 5.6750 5.6750 5.9561 5.9561 6.2283 6.2283 9.8704 9.8704 10.5087 10.5087 10.5407 10.5407 10.5926 10.5926 11.0318 11.0318 k = 0.1167 0.2021-0.0000 ( 4774 PWs) bands (ev): -20.7352 -20.7352 -20.5639 -20.5639 -19.5831 -19.5831 -19.5805 -19.5805 -5.9202 -5.9202 -5.4635 -5.4635 -4.9894 -4.9894 -4.8162 -4.8162 -4.4763 -4.4763 -4.4501 -4.4501 -4.2351 -4.2351 -4.1999 -4.1999 -3.8913 -3.8913 -3.8170 -3.8170 -3.5617 -3.5617 -3.3955 -3.3955 -3.1206 -3.1206 -2.9825 -2.9825 5.3807 5.3807 5.4820 5.4820 5.6100 5.6100 5.6637 5.6637 5.9531 5.9531 6.2476 6.2476 9.8161 9.8161 10.4835 10.4835 10.4879 10.4879 10.6223 10.6223 10.9377 10.9377 k = 0.1083 0.1876-0.0000 ( 4782 PWs) bands (ev): -20.7361 -20.7361 -20.5639 -20.5639 -19.5830 -19.5830 -19.5798 -19.5798 -5.9162 -5.9162 -5.4607 -5.4607 -4.9694 -4.9694 -4.8068 -4.8068 -4.4629 -4.4629 -4.4417 -4.4417 -4.2500 -4.2500 -4.1977 -4.1977 -3.8822 -3.8822 -3.8155 -3.8155 -3.5750 -3.5750 -3.3900 -3.3900 -3.1499 -3.1499 -3.0127 -3.0127 5.3794 5.3794 5.4601 5.4601 5.6197 5.6197 5.6534 5.6534 5.9497 5.9497 6.2669 6.2669 9.7556 9.7556 10.4377 10.4377 10.4594 10.4594 10.6584 10.6584 10.8481 10.8481 k = 0.1000 0.1732-0.0000 ( 4780 PWs) bands (ev): -20.7369 -20.7369 -20.5640 -20.5640 -19.5830 -19.5830 -19.5790 -19.5790 -5.9124 -5.9124 -5.4584 -5.4584 -4.9495 -4.9495 -4.7986 -4.7986 -4.4551 -4.4551 -4.4266 -4.4266 -4.2644 -4.2644 -4.1959 -4.1959 -3.8733 -3.8733 -3.8118 -3.8118 -3.5881 -3.5881 -3.3848 -3.3848 -3.1795 -3.1795 -3.0439 -3.0439 5.3725 5.3725 5.4395 5.4395 5.6331 5.6331 5.6475 5.6475 5.9460 5.9460 6.2858 6.2858 9.6906 9.6906 10.3946 10.3946 10.4328 10.4328 10.7004 10.7004 10.7635 10.7635 k = 0.0917 0.1588-0.0000 ( 4778 PWs) bands (ev): -20.7378 -20.7378 -20.5641 -20.5641 -19.5829 -19.5829 -19.5783 -19.5783 -5.9086 -5.9086 -5.4564 -5.4564 -4.9296 -4.9296 -4.7916 -4.7916 -4.4519 -4.4519 -4.4065 -4.4065 -4.2782 -4.2782 -4.1942 -4.1942 -3.8646 -3.8646 -3.8055 -3.8055 -3.6009 -3.6009 -3.3803 -3.3803 -3.2089 -3.2089 -3.0760 -3.0760 5.3613 5.3613 5.4202 5.4202 5.6307 5.6307 5.6634 5.6634 5.9419 5.9419 6.3044 6.3044 9.6228 9.6228 10.3563 10.3563 10.4063 10.4063 10.6840 10.6840 10.7479 10.7479 k = 0.0833 0.1443-0.0000 ( 4774 PWs) bands (ev): -20.7386 -20.7386 -20.5642 -20.5642 -19.5829 -19.5829 -19.5777 -19.5777 -5.9050 -5.9050 -5.4547 -5.4547 -4.9098 -4.9098 -4.7856 -4.7856 -4.4514 -4.4514 -4.3841 -4.3841 -4.2909 -4.2909 -4.1927 -4.1927 -3.8563 -3.8563 -3.7969 -3.7969 -3.6132 -3.6132 -3.3768 -3.3768 -3.2375 -3.2375 -3.1085 -3.1085 5.3477 5.3477 5.4023 5.4023 5.6228 5.6228 5.6891 5.6891 5.9378 5.9378 6.3223 6.3223 9.5540 9.5540 10.3226 10.3226 10.3805 10.3805 10.6103 10.6103 10.7995 10.7995 k = 0.0750 0.1299-0.0000 ( 4782 PWs) bands (ev): -20.7393 -20.7393 -20.5642 -20.5642 -19.5828 -19.5828 -19.5771 -19.5771 -5.9016 -5.9016 -5.4533 -5.4533 -4.8904 -4.8904 -4.7807 -4.7807 -4.4529 -4.4529 -4.3611 -4.3611 -4.3022 -4.3022 -4.1913 -4.1913 -3.8479 -3.8479 -3.7862 -3.7862 -3.6249 -3.6249 -3.3750 -3.3750 -3.2646 -3.2646 -3.1412 -3.1412 5.3332 5.3332 5.3858 5.3858 5.6152 5.6152 5.7172 5.7172 5.9337 5.9337 6.3394 6.3394 9.4860 9.4860 10.2929 10.2929 10.3559 10.3559 10.5424 10.5424 10.8545 10.8545 k = 0.0667 0.1155-0.0000 ( 4778 PWs) bands (ev): -20.7399 -20.7399 -20.5643 -20.5643 -19.5828 -19.5828 -19.5765 -19.5765 -5.8984 -5.8984 -5.4521 -5.4521 -4.8714 -4.8714 -4.7764 -4.7764 -4.4566 -4.4566 -4.3385 -4.3385 -4.3117 -4.3117 -4.1897 -4.1897 -3.8394 -3.8394 -3.7738 -3.7738 -3.6359 -3.6359 -3.3761 -3.3761 -3.2887 -3.2887 -3.1737 -3.1737 5.3186 5.3186 5.3707 5.3707 5.6082 5.6082 5.7455 5.7455 5.9301 5.9301 6.3554 6.3554 9.4204 9.4204 10.2670 10.2670 10.3329 10.3329 10.4806 10.4806 10.9117 10.9117 k = 0.0583 0.1010-0.0000 ( 4778 PWs) bands (ev): -20.7405 -20.7405 -20.5643 -20.5643 -19.5828 -19.5828 -19.5760 -19.5760 -5.8955 -5.8955 -5.4511 -5.4511 -4.8531 -4.8531 -4.7728 -4.7728 -4.4622 -4.4622 -4.3217 -4.3217 -4.3146 -4.3146 -4.1878 -4.1878 -3.8304 -3.8304 -3.7603 -3.7603 -3.6458 -3.6458 -3.3823 -3.3823 -3.3076 -3.3076 -3.2053 -3.2053 5.3048 5.3048 5.3572 5.3572 5.6019 5.6019 5.7728 5.7728 5.9272 5.9272 6.3702 6.3702 9.3587 9.3587 10.2446 10.2446 10.3119 10.3119 10.4254 10.4254 10.9696 10.9696 k = 0.0500 0.0866-0.0000 ( 4774 PWs) bands (ev): -20.7411 -20.7411 -20.5644 -20.5644 -19.5827 -19.5827 -19.5755 -19.5755 -5.8930 -5.8930 -5.4503 -5.4503 -4.8360 -4.8360 -4.7694 -4.7694 -4.4696 -4.4696 -4.3261 -4.3261 -4.2962 -4.2962 -4.1856 -4.1856 -3.8210 -3.8210 -3.7460 -3.7460 -3.6547 -3.6547 -3.3950 -3.3950 -3.3194 -3.3194 -3.2354 -3.2354 5.2921 5.2921 5.3452 5.3452 5.5965 5.5965 5.7977 5.7977 5.9255 5.9255 6.3835 6.3835 9.3021 9.3021 10.2254 10.2254 10.2932 10.2932 10.3769 10.3769 11.0264 11.0264 k = 0.0417 0.0722-0.0000 ( 4775 PWs) bands (ev): -20.7415 -20.7415 -20.5644 -20.5644 -19.5827 -19.5827 -19.5751 -19.5751 -5.8908 -5.8908 -5.4497 -5.4497 -4.8206 -4.8206 -4.7661 -4.7661 -4.4780 -4.4780 -4.3303 -4.3303 -4.2792 -4.2792 -4.1828 -4.1828 -3.8113 -3.8113 -3.7314 -3.7314 -3.6624 -3.6624 -3.4128 -3.4128 -3.3256 -3.3256 -3.2630 -3.2630 5.2810 5.2810 5.3349 5.3349 5.5918 5.5918 5.8188 5.8188 5.9254 5.9254 6.3951 6.3951 9.2520 9.2520 10.2094 10.2094 10.2770 10.2770 10.3354 10.3354 11.0796 11.0796 k = 0.0333 0.0577-0.0000 ( 4773 PWs) bands (ev): -20.7419 -20.7419 -20.5645 -20.5645 -19.5827 -19.5827 -19.5748 -19.5748 -5.8889 -5.8889 -5.4492 -5.4492 -4.8075 -4.8075 -4.7626 -4.7626 -4.4869 -4.4869 -4.3331 -4.3331 -4.2654 -4.2654 -4.1795 -4.1795 -3.8019 -3.8019 -3.7170 -3.7170 -3.6687 -3.6687 -3.4324 -3.4324 -3.3297 -3.3297 -3.2865 -3.2865 5.2717 5.2717 5.3264 5.3264 5.5880 5.5880 5.8352 5.8352 5.9274 5.9274 6.4049 6.4049 9.2094 9.2094 10.1963 10.1963 10.2634 10.2634 10.3011 10.3011 11.1264 11.1264 k = 0.0250 0.0433-0.0000 ( 4769 PWs) bands (ev): -20.7422 -20.7422 -20.5645 -20.5645 -19.5827 -19.5827 -19.5745 -19.5745 -5.8874 -5.8874 -5.4488 -5.4488 -4.7975 -4.7975 -4.7586 -4.7586 -4.4952 -4.4952 -4.3350 -4.3350 -4.2550 -4.2550 -4.1761 -4.1761 -3.7932 -3.7932 -3.7036 -3.7036 -3.6737 -3.6737 -3.4510 -3.4510 -3.3349 -3.3349 -3.3032 -3.3032 5.2643 5.2643 5.3197 5.3197 5.5850 5.5850 5.8466 5.8466 5.9310 5.9310 6.4127 6.4127 9.1752 9.1752 10.1862 10.1862 10.2527 10.2527 10.2744 10.2744 11.1632 11.1632 k = 0.0167 0.0289-0.0000 ( 4779 PWs) bands (ev): -20.7424 -20.7424 -20.5645 -20.5645 -19.5827 -19.5827 -19.5743 -19.5743 -5.8864 -5.8864 -5.4486 -5.4486 -4.7908 -4.7908 -4.7546 -4.7546 -4.5021 -4.5021 -4.3362 -4.3362 -4.2480 -4.2480 -4.1729 -4.1729 -3.7862 -3.7862 -3.6924 -3.6924 -3.6771 -3.6771 -3.4664 -3.4664 -3.3429 -3.3429 -3.3117 -3.3117 5.2589 5.2589 5.3148 5.3148 5.5829 5.5829 5.8534 5.8534 5.9352 5.9352 6.4184 6.4184 9.1502 9.1502 10.1791 10.1791 10.2447 10.2447 10.2554 10.2554 11.1873 11.1873 k = 0.0083 0.0144-0.0000 ( 4771 PWs) bands (ev): -20.7426 -20.7426 -20.5645 -20.5645 -19.5827 -19.5827 -19.5742 -19.5742 -5.8857 -5.8857 -5.4485 -5.4485 -4.7872 -4.7872 -4.7514 -4.7514 -4.5067 -4.5067 -4.3368 -4.3368 -4.2440 -4.2440 -4.1706 -4.1706 -3.7816 -3.7816 -3.6850 -3.6850 -3.6788 -3.6788 -3.4769 -3.4769 -3.3502 -3.3502 -3.3147 -3.3147 5.2557 5.2557 5.3119 5.3119 5.5816 5.5816 5.8569 5.8569 5.9385 5.9385 6.4218 6.4218 9.1350 9.1350 10.1748 10.1748 10.2392 10.2392 10.2446 10.2446 11.1996 11.1996 k = 0.0000 0.0000 0.0000 ( 4759 PWs) bands (ev): -20.7426 -20.7426 -20.5645 -20.5645 -19.5827 -19.5827 -19.5742 -19.5742 -5.8855 -5.8855 -5.4484 -5.4484 -4.7860 -4.7860 -4.7502 -4.7502 -4.5083 -4.5083 -4.3370 -4.3370 -4.2427 -4.2427 -4.1698 -4.1698 -3.7800 -3.7800 -3.6827 -3.6827 -3.6790 -3.6790 -3.4806 -3.4806 -3.3530 -3.3530 -3.3154 -3.3154 5.2546 5.2546 5.3109 5.3109 5.5812 5.5812 5.8580 5.8580 5.9398 5.9398 6.4229 6.4229 9.1298 9.1298 10.1733 10.1733 10.2368 10.2368 10.2416 10.2416 11.2033 11.2033 k = 0.0000 0.0000 0.0000 ( 4759 PWs) bands (ev): -20.7426 -20.7426 -20.5645 -20.5645 -19.5827 -19.5827 -19.5742 -19.5742 -5.8855 -5.8855 -5.4484 -5.4484 -4.7860 -4.7860 -4.7502 -4.7502 -4.5083 -4.5083 -4.3370 -4.3370 -4.2427 -4.2427 -4.1698 -4.1698 -3.7800 -3.7800 -3.6827 -3.6827 -3.6790 -3.6790 -3.4806 -3.4806 -3.3530 -3.3530 -3.3154 -3.3154 5.2546 5.2546 5.3109 5.3109 5.5812 5.5812 5.8580 5.8580 5.9398 5.9398 6.4229 6.4229 9.1298 9.1298 10.1733 10.1733 10.2368 10.2368 10.2416 10.2416 11.2033 11.2033 k = 0.0000 0.0000 0.0162 ( 4783 PWs) bands (ev): -20.7424 -20.7424 -20.5647 -20.5647 -19.5827 -19.5827 -19.5742 -19.5742 -5.8845 -5.8845 -5.4483 -5.4483 -4.7866 -4.7866 -4.7499 -4.7499 -4.5078 -4.5078 -4.3376 -4.3376 -4.2442 -4.2442 -4.1706 -4.1706 -3.7808 -3.7808 -3.6822 -3.6822 -3.6822 -3.6822 -3.4767 -3.4767 -3.3533 -3.3533 -3.3138 -3.3138 5.2551 5.2551 5.3115 5.3115 5.5801 5.5801 5.8571 5.8571 5.9389 5.9389 6.4185 6.4185 9.1342 9.1342 10.1802 10.1802 10.2395 10.2395 10.2444 10.2444 11.2043 11.2043 k = 0.0000 0.0000 0.0325 ( 4771 PWs) bands (ev): -20.7419 -20.7419 -20.5653 -20.5653 -19.5826 -19.5826 -19.5742 -19.5742 -5.8813 -5.8813 -5.4479 -5.4479 -4.7883 -4.7883 -4.7488 -4.7488 -4.5062 -4.5062 -4.3395 -4.3395 -4.2488 -4.2488 -4.1731 -4.1731 -3.7831 -3.7831 -3.6913 -3.6913 -3.6806 -3.6806 -3.4658 -3.4658 -3.3541 -3.3541 -3.3090 -3.3090 5.2568 5.2568 5.3132 5.3132 5.5770 5.5770 5.8546 5.8546 5.9363 5.9363 6.4055 6.4055 9.1471 9.1471 10.2005 10.2005 10.2478 10.2478 10.2526 10.2526 11.2076 11.2076 k = 0.0000 0.0000 0.0487 ( 4760 PWs) bands (ev): -20.7410 -20.7410 -20.5663 -20.5663 -19.5825 -19.5825 -19.5742 -19.5742 -5.8761 -5.8761 -5.4473 -5.4473 -4.7911 -4.7911 -4.7471 -4.7471 -4.5038 -4.5038 -4.3426 -4.3426 -4.2564 -4.2564 -4.1771 -4.1771 -3.7868 -3.7868 -3.7044 -3.7044 -3.6780 -3.6780 -3.4495 -3.4495 -3.3555 -3.3555 -3.3012 -3.3012 5.2594 5.2594 5.3160 5.3160 5.5718 5.5718 5.8503 5.8503 5.9319 5.9319 6.3842 6.3842 9.1685 9.1685 10.2341 10.2341 10.2616 10.2616 10.2663 10.2663 11.2130 11.2130 k = 0.0000 0.0000 0.0650 ( 4760 PWs) bands (ev): -20.7397 -20.7397 -20.5677 -20.5677 -19.5824 -19.5824 -19.5743 -19.5743 -5.8688 -5.8688 -5.4465 -5.4465 -4.7948 -4.7948 -4.7446 -4.7446 -4.5004 -4.5004 -4.3469 -4.3469 -4.2671 -4.2671 -4.1824 -4.1824 -3.7916 -3.7916 -3.7201 -3.7201 -3.6745 -3.6745 -3.4295 -3.4295 -3.3574 -3.3574 -3.2908 -3.2908 5.2632 5.2632 5.3200 5.3200 5.5647 5.5647 5.8443 5.8443 5.9259 5.9259 6.3554 6.3554 9.1979 9.1979 10.2787 10.2787 10.2808 10.2808 10.2871 10.2871 11.2205 11.2205 k = 0.0000 0.0000 0.0812 ( 4766 PWs) bands (ev): -20.7381 -20.7381 -20.5695 -20.5695 -19.5823 -19.5823 -19.5743 -19.5743 -5.8595 -5.8595 -5.4455 -5.4455 -4.7994 -4.7994 -4.7415 -4.7415 -4.4963 -4.4963 -4.3523 -4.3523 -4.2809 -4.2809 -4.1890 -4.1890 -3.7973 -3.7973 -3.7371 -3.7371 -3.6700 -3.6700 -3.4071 -3.4071 -3.3598 -3.3598 -3.2781 -3.2781 5.2680 5.2680 5.3250 5.3250 5.5559 5.5559 5.8368 5.8368 5.9182 5.9182 6.3198 6.3198 9.2352 9.2352 10.3053 10.3053 10.3083 10.3083 10.3401 10.3401 11.2301 11.2301 k = 0.0000 0.0000 0.0975 ( 4772 PWs) bands (ev): -20.7361 -20.7361 -20.5717 -20.5717 -19.5821 -19.5821 -19.5743 -19.5743 -5.8482 -5.8482 -5.4444 -5.4444 -4.8046 -4.8046 -4.7377 -4.7377 -4.4916 -4.4916 -4.3588 -4.3588 -4.2976 -4.2976 -4.1966 -4.1966 -3.8036 -3.8036 -3.7545 -3.7545 -3.6646 -3.6646 -3.3832 -3.3832 -3.3628 -3.3628 -3.2636 -3.2636 5.2738 5.2738 5.3312 5.3312 5.5456 5.5456 5.8277 5.8277 5.9090 5.9090 6.2786 6.2786 9.2799 9.2799 10.3349 10.3349 10.3377 10.3377 10.4098 10.4098 11.2416 11.2416 k = 0.0000 0.0000 0.1137 ( 4778 PWs) bands (ev): -20.7338 -20.7338 -20.5742 -20.5742 -19.5820 -19.5820 -19.5744 -19.5744 -5.8352 -5.8352 -5.4431 -5.4431 -4.8103 -4.8103 -4.7332 -4.7332 -4.4864 -4.4864 -4.3663 -4.3663 -4.3170 -4.3170 -4.2051 -4.2051 -3.8103 -3.8103 -3.7717 -3.7717 -3.6584 -3.6584 -3.3664 -3.3664 -3.3584 -3.3584 -3.2477 -3.2477 5.2807 5.2807 5.3384 5.3384 5.5341 5.5341 5.8171 5.8171 5.8984 5.8984 6.2327 6.2327 9.3315 9.3315 10.3695 10.3695 10.3718 10.3718 10.4902 10.4902 11.2549 11.2549 k = 0.0000 0.0000 0.1300 ( 4772 PWs) bands (ev): -20.7312 -20.7312 -20.5771 -20.5771 -19.5817 -19.5817 -19.5745 -19.5745 -5.8203 -5.8203 -5.4417 -5.4417 -4.8163 -4.8163 -4.7280 -4.7280 -4.4808 -4.4808 -4.3747 -4.3747 -4.3391 -4.3391 -4.2144 -4.2144 -3.8173 -3.8173 -3.7884 -3.7884 -3.6515 -3.6515 -3.3704 -3.3704 -3.3332 -3.3332 -3.2309 -3.2309 5.2885 5.2885 5.3467 5.3467 5.5217 5.5217 5.8051 5.8051 5.8863 5.8863 6.1831 6.1831 9.3898 9.3898 10.4090 10.4090 10.4106 10.4106 10.5802 10.5802 11.2700 11.2700 k = 0.0000 0.0000 0.1462 ( 4784 PWs) bands (ev): -20.7283 -20.7283 -20.5803 -20.5803 -19.5815 -19.5815 -19.5745 -19.5745 -5.8038 -5.8038 -5.4404 -5.4404 -4.8223 -4.8223 -4.7222 -4.7222 -4.4749 -4.4749 -4.3839 -4.3839 -4.3634 -4.3634 -4.2242 -4.2242 -3.8243 -3.8243 -3.8043 -3.8043 -3.6439 -3.6439 -3.3750 -3.3750 -3.3080 -3.3080 -3.2134 -3.2134 5.2973 5.2973 5.3560 5.3560 5.5086 5.5086 5.7919 5.7919 5.8729 5.8729 6.1309 6.1309 9.4543 9.4543 10.4530 10.4530 10.4538 10.4538 10.6790 10.6790 11.2866 11.2866 k = 0.0000 0.0000 0.1625 ( 4796 PWs) bands (ev): -20.7250 -20.7250 -20.5838 -20.5838 -19.5813 -19.5813 -19.5746 -19.5746 -5.7857 -5.7857 -5.4390 -5.4390 -4.8283 -4.8283 -4.7158 -4.7158 -4.4688 -4.4688 -4.3939 -4.3939 -4.3899 -4.3899 -4.2345 -4.2345 -3.8313 -3.8313 -3.8192 -3.8192 -3.6357 -3.6357 -3.3800 -3.3800 -3.2830 -3.2830 -3.1958 -3.1958 5.3071 5.3071 5.3662 5.3662 5.4954 5.4954 5.7774 5.7774 5.8584 5.8584 6.0771 6.0771 9.5246 9.5246 10.5013 10.5013 10.5013 10.5013 10.7854 10.7854 11.3045 11.3045 k = 0.0000 0.0000 0.1787 ( 4784 PWs) bands (ev): -20.7215 -20.7215 -20.5877 -20.5877 -19.5810 -19.5810 -19.5747 -19.5747 -5.7663 -5.7663 -5.4379 -5.4379 -4.8341 -4.8341 -4.7088 -4.7088 -4.4625 -4.4625 -4.4180 -4.4180 -4.4046 -4.4046 -4.2452 -4.2452 -3.8382 -3.8382 -3.8329 -3.8329 -3.6269 -3.6269 -3.3855 -3.3855 -3.2584 -3.2584 -3.1783 -3.1783 5.3177 5.3177 5.3775 5.3775 5.4823 5.4823 5.7619 5.7619 5.8428 5.8428 6.0224 6.0224 9.6005 9.6005 10.5527 10.5527 10.5537 10.5537 10.8988 10.8988 11.3234 11.3234 k = 0.0000 0.0000 0.1950 ( 4802 PWs) bands (ev): -20.7176 -20.7176 -20.5918 -20.5918 -19.5807 -19.5807 -19.5748 -19.5748 -5.7457 -5.7457 -5.4369 -5.4369 -4.8393 -4.8393 -4.7011 -4.7011 -4.4562 -4.4562 -4.4476 -4.4476 -4.4159 -4.4159 -4.2561 -4.2561 -3.8455 -3.8455 -3.8450 -3.8450 -3.6178 -3.6178 -3.3915 -3.3915 -3.2346 -3.2346 -3.1612 -3.1612 5.3293 5.3293 5.3896 5.3896 5.4696 5.4696 5.7452 5.7452 5.8263 5.8263 5.9678 5.9678 9.6815 9.6815 10.6077 10.6077 10.6099 10.6099 11.0182 11.0182 11.3429 11.3429 k = 0.0000 0.0000 0.2112 ( 4814 PWs) bands (ev): -20.7135 -20.7135 -20.5962 -20.5962 -19.5804 -19.5804 -19.5749 -19.5749 -5.7240 -5.7240 -5.4363 -5.4363 -4.8439 -4.8439 -4.6929 -4.6929 -4.4783 -4.4783 -4.4499 -4.4499 -4.4277 -4.4277 -4.2671 -4.2671 -3.8568 -3.8568 -3.8515 -3.8515 -3.6082 -3.6082 -3.3980 -3.3980 -3.2117 -3.2117 -3.1447 -3.1447 5.3416 5.3416 5.4027 5.4027 5.4579 5.4579 5.7276 5.7276 5.8089 5.8089 5.9140 5.9140 9.7674 9.7674 10.6659 10.6659 10.6694 10.6694 11.1427 11.1427 11.3626 11.3626 k = 0.0000 0.0000 0.2274 ( 4814 PWs) bands (ev): -20.7092 -20.7092 -20.6009 -20.6009 -19.5801 -19.5801 -19.5751 -19.5751 -5.7016 -5.7016 -5.4361 -5.4361 -4.8476 -4.8476 -4.6841 -4.6841 -4.5098 -4.5098 -4.4436 -4.4436 -4.4399 -4.4399 -4.2782 -4.2782 -3.8668 -3.8668 -3.8578 -3.8578 -3.5983 -3.5983 -3.4049 -3.4049 -3.1898 -3.1898 -3.1292 -3.1292 5.3547 5.3547 5.4166 5.4166 5.4475 5.4475 5.7091 5.7091 5.7908 5.7908 5.8617 5.8617 9.8576 9.8576 10.7269 10.7269 10.7318 10.7318 11.2718 11.2718 11.3819 11.3819 k = 0.0000 0.0000 0.2437 ( 4796 PWs) bands (ev): -20.7046 -20.7046 -20.6057 -20.6057 -19.5798 -19.5798 -19.5752 -19.5752 -5.6786 -5.6786 -5.4365 -5.4365 -4.8502 -4.8502 -4.6748 -4.6748 -4.5417 -4.5417 -4.4525 -4.4525 -4.4372 -4.4372 -4.2892 -4.2892 -3.8755 -3.8755 -3.8639 -3.8639 -3.5882 -3.5882 -3.4122 -3.4122 -3.1692 -3.1692 -3.1148 -3.1148 5.3684 5.3684 5.4313 5.4313 5.4388 5.4388 5.6895 5.6895 5.7721 5.7721 5.8116 5.8116 9.9520 9.9520 10.7903 10.7903 10.7968 10.7968 11.4000 11.4000 11.4047 11.4047 k = 0.0000 0.0000 0.2599 ( 4784 PWs) bands (ev): -20.6998 -20.6998 -20.6108 -20.6108 -19.5795 -19.5795 -19.5754 -19.5754 -5.6553 -5.6553 -5.4376 -5.4376 -4.8515 -4.8515 -4.6649 -4.6649 -4.5736 -4.5736 -4.4654 -4.4654 -4.4309 -4.4309 -4.3001 -4.3001 -3.8829 -3.8829 -3.8697 -3.8697 -3.5778 -3.5778 -3.4199 -3.4199 -3.1501 -3.1501 -3.1017 -3.1017 5.3825 5.3825 5.4323 5.4323 5.4468 5.4468 5.6688 5.6688 5.7528 5.7528 5.7644 5.7644 10.0500 10.0500 10.8555 10.8555 10.8638 10.8638 11.4162 11.4162 11.4892 11.4892 k = 0.0000 0.0000 0.2762 ( 4772 PWs) bands (ev): -20.6947 -20.6947 -20.6161 -20.6161 -19.5792 -19.5792 -19.5755 -19.5755 -5.6321 -5.6321 -5.4397 -5.4397 -4.8512 -4.8512 -4.6546 -4.6546 -4.6052 -4.6052 -4.4784 -4.4784 -4.4245 -4.4245 -4.3108 -4.3108 -3.8890 -3.8890 -3.8751 -3.8751 -3.5673 -3.5673 -3.4280 -3.4280 -3.1324 -3.1324 -3.0901 -3.0901 5.3964 5.3964 5.4291 5.4291 5.4629 5.4629 5.6468 5.6468 5.7208 5.7208 5.7332 5.7332 10.1513 10.1513 10.9217 10.9217 10.9321 10.9321 11.4292 11.4292 11.4994 11.4994 k = 0.0000 0.0000 0.2924 ( 4772 PWs) bands (ev): -20.6895 -20.6895 -20.6215 -20.6215 -19.5789 -19.5789 -19.5757 -19.5757 -5.6091 -5.6091 -5.4428 -5.4428 -4.8492 -4.8492 -4.6438 -4.6438 -4.6361 -4.6361 -4.4917 -4.4917 -4.4180 -4.4180 -4.3211 -4.3211 -3.8939 -3.8939 -3.8802 -3.8802 -3.5567 -3.5567 -3.4365 -3.4365 -3.1164 -3.1164 -3.0802 -3.0802 5.4081 5.4081 5.4312 5.4312 5.4798 5.4798 5.6228 5.6228 5.6819 5.6819 5.7132 5.7132 10.2556 10.2556 10.9884 10.9884 11.0012 11.0012 11.4379 11.4379 11.5047 11.5047 k = 0.0000 0.0000 0.3087 ( 4778 PWs) bands (ev): -20.6842 -20.6842 -20.6270 -20.6270 -19.5786 -19.5786 -19.5759 -19.5759 -5.5867 -5.5867 -5.4472 -5.4472 -4.8451 -4.8451 -4.6659 -4.6659 -4.6326 -4.6326 -4.5051 -4.5051 -4.4115 -4.4115 -4.3312 -4.3312 -3.8976 -3.8976 -3.8849 -3.8849 -3.5461 -3.5461 -3.4453 -3.4453 -3.1022 -3.1022 -3.0720 -3.0720 5.4155 5.4155 5.4411 5.4411 5.4973 5.4973 5.5965 5.5965 5.6484 5.6484 5.6931 5.6931 10.3623 10.3623 11.0546 11.0546 11.0700 11.0700 11.4404 11.4404 11.4807 11.4807 k = 0.0000 0.0000 0.3249 ( 4778 PWs) bands (ev): -20.6787 -20.6787 -20.6327 -20.6327 -19.5783 -19.5783 -19.5761 -19.5761 -5.5653 -5.5653 -5.4531 -5.4531 -4.8387 -4.8387 -4.6943 -4.6943 -4.6210 -4.6210 -4.5184 -4.5184 -4.4048 -4.4048 -4.3408 -4.3408 -3.9002 -3.9002 -3.8892 -3.8892 -3.5354 -3.5354 -3.4544 -3.4544 -3.0899 -3.0899 -3.0658 -3.0658 5.4215 5.4215 5.4561 5.4561 5.5153 5.5153 5.5685 5.5685 5.6199 5.6199 5.6728 5.6728 10.4711 10.4711 11.1193 11.1193 11.1379 11.1379 11.3691 11.3691 11.4384 11.4384 k = 0.0000 0.0000 0.3412 ( 4772 PWs) bands (ev): -20.6731 -20.6731 -20.6384 -20.6384 -19.5780 -19.5780 -19.5764 -19.5764 -5.5451 -5.5451 -5.4606 -5.4606 -4.8299 -4.8299 -4.7210 -4.7210 -4.6091 -4.6091 -4.5318 -4.5318 -4.3979 -4.3979 -4.3501 -4.3501 -3.9017 -3.9017 -3.8929 -3.8929 -3.5248 -3.5248 -3.4638 -3.4638 -3.0796 -3.0796 -3.0615 -3.0615 5.4291 5.4291 5.4732 5.4732 5.5338 5.5338 5.5406 5.5406 5.5950 5.5950 5.6524 5.6524 10.5817 10.5817 11.1814 11.1814 11.2035 11.2035 11.2580 11.2580 11.4264 11.4264 k = 0.0000 0.0000 0.3574 ( 4784 PWs) bands (ev): -20.6674 -20.6674 -20.6442 -20.6442 -19.5777 -19.5777 -19.5766 -19.5766 -5.5264 -5.5264 -5.4699 -5.4699 -4.8184 -4.8184 -4.7455 -4.7455 -4.5968 -4.5968 -4.5451 -4.5451 -4.3907 -4.3907 -4.3590 -4.3590 -3.9022 -3.9022 -3.8962 -3.8962 -3.5142 -3.5142 -3.4735 -3.4735 -3.0713 -3.0713 -3.0592 -3.0592 5.4396 5.4396 5.4915 5.4915 5.5144 5.5144 5.5528 5.5528 5.5722 5.5722 5.6321 5.6321 10.6935 10.6935 11.1457 11.1457 11.2395 11.2395 11.2656 11.2656 11.4059 11.4059 k = 0.0000 0.0000 0.3737 ( 4796 PWs) bands (ev): -20.6617 -20.6617 -20.6500 -20.6500 -19.5774 -19.5774 -19.5769 -19.5769 -5.5094 -5.5094 -5.4811 -5.4811 -4.8043 -4.8043 -4.7677 -4.7677 -4.5842 -4.5842 -4.5583 -4.5583 -4.3833 -4.3833 -4.3675 -4.3675 -3.9019 -3.9019 -3.8988 -3.8988 -3.5038 -3.5038 -3.4834 -3.4834 -3.0651 -3.0651 -3.0591 -3.0591 5.4533 5.4533 5.4908 5.4908 5.5105 5.5105 5.5508 5.5508 5.5722 5.5722 5.6119 5.6119 10.8062 10.8062 11.0327 11.0327 11.2922 11.2922 11.3230 11.3230 11.3764 11.3764 k = 0.0000 0.0000 0.3899 ( 4802 PWs) bands (ev): -20.6559 -20.6559 -20.6559 -20.6559 -19.5771 -19.5771 -19.5771 -19.5771 -5.4943 -5.4943 -5.4943 -5.4943 -4.7873 -4.7873 -4.7873 -4.7873 -4.5714 -4.5714 -4.5714 -4.5714 -4.3756 -4.3756 -4.3756 -4.3756 -3.9007 -3.9007 -3.9007 -3.9007 -3.4935 -3.4935 -3.4935 -3.4935 -3.0610 -3.0610 -3.0610 -3.0610 5.4703 5.4703 5.4703 5.4703 5.5303 5.5303 5.5303 5.5303 5.5920 5.5920 5.5920 5.5920 10.9194 10.9194 10.9194 10.9194 11.3383 11.3383 11.3383 11.3383 11.3741 11.3741 k = 0.0000 0.0000 0.3899 ( 4802 PWs) bands (ev): -20.6559 -20.6559 -20.6559 -20.6559 -19.5771 -19.5771 -19.5771 -19.5771 -5.4943 -5.4943 -5.4943 -5.4943 -4.7873 -4.7873 -4.7873 -4.7873 -4.5714 -4.5714 -4.5714 -4.5714 -4.3756 -4.3756 -4.3756 -4.3756 -3.9007 -3.9007 -3.9007 -3.9007 -3.4935 -3.4935 -3.4935 -3.4935 -3.0610 -3.0610 -3.0610 -3.0610 5.4703 5.4703 5.4703 5.4703 5.5303 5.5303 5.5303 5.5303 5.5920 5.5920 5.5920 5.5920 10.9194 10.9194 10.9194 10.9194 11.3383 11.3383 11.3383 11.3383 11.3741 11.3741 k = 0.0143 0.0082 0.3899 ( 4794 PWs) bands (ev): -20.6558 -20.6558 -20.6558 -20.6558 -19.5771 -19.5771 -19.5771 -19.5771 -5.4944 -5.4944 -5.4944 -5.4944 -4.7881 -4.7881 -4.7881 -4.7881 -4.5724 -4.5724 -4.5724 -4.5724 -4.3750 -4.3750 -4.3750 -4.3750 -3.9008 -3.9008 -3.9008 -3.9008 -3.4924 -3.4924 -3.4924 -3.4924 -3.0602 -3.0602 -3.0602 -3.0602 5.4611 5.4611 5.4611 5.4611 5.5358 5.5358 5.5358 5.5358 5.5964 5.5964 5.5964 5.5964 10.9205 10.9205 10.9205 10.9205 11.3389 11.3389 11.3389 11.3389 11.3747 11.3747 k = 0.0286 0.0165 0.3899 ( 4776 PWs) bands (ev): -20.6558 -20.6558 -20.6558 -20.6558 -19.5772 -19.5772 -19.5772 -19.5772 -5.4948 -5.4948 -5.4948 -5.4948 -4.7905 -4.7905 -4.7905 -4.7905 -4.5755 -4.5755 -4.5755 -4.5755 -4.3734 -4.3734 -4.3734 -4.3734 -3.9012 -3.9012 -3.9012 -3.9012 -3.4893 -3.4893 -3.4893 -3.4893 -3.0579 -3.0579 -3.0579 -3.0579 5.4406 5.4406 5.4406 5.4406 5.5454 5.5454 5.5454 5.5454 5.6094 5.6094 5.6094 5.6094 10.9237 10.9237 10.9237 10.9237 11.3407 11.3407 11.3407 11.3407 11.3767 11.3767 k = 0.0429 0.0247 0.3899 ( 4768 PWs) bands (ev): -20.6556 -20.6556 -20.6556 -20.6556 -19.5773 -19.5773 -19.5773 -19.5773 -5.4954 -5.4954 -5.4954 -5.4954 -4.7945 -4.7945 -4.7945 -4.7945 -4.5803 -4.5803 -4.5803 -4.5803 -4.3708 -4.3708 -4.3708 -4.3708 -3.9017 -3.9017 -3.9017 -3.9017 -3.4844 -3.4844 -3.4844 -3.4844 -3.0540 -3.0540 -3.0540 -3.0540 5.4162 5.4162 5.4162 5.4162 5.5539 5.5539 5.5539 5.5539 5.6287 5.6287 5.6287 5.6287 10.9289 10.9289 10.9289 10.9289 11.3437 11.3437 11.3437 11.3437 11.3800 11.3800 k = 0.0571 0.0330 0.3899 ( 4768 PWs) bands (ev): -20.6555 -20.6555 -20.6555 -20.6555 -19.5775 -19.5775 -19.5775 -19.5775 -5.4962 -5.4962 -5.4962 -5.4962 -4.8002 -4.8002 -4.8002 -4.8002 -4.5868 -4.5868 -4.5868 -4.5868 -4.3671 -4.3671 -4.3671 -4.3671 -3.9023 -3.9023 -3.9023 -3.9023 -3.4778 -3.4778 -3.4778 -3.4778 -3.0485 -3.0485 -3.0485 -3.0485 5.3905 5.3905 5.3905 5.3905 5.5617 5.5617 5.5617 5.5617 5.6515 5.6515 5.6515 5.6515 10.9359 10.9359 10.9359 10.9359 11.3480 11.3480 11.3480 11.3480 11.3848 11.3848 k = 0.0714 0.0412 0.3899 ( 4762 PWs) bands (ev): -20.6552 -20.6552 -20.6552 -20.6552 -19.5777 -19.5777 -19.5777 -19.5777 -5.4973 -5.4973 -5.4973 -5.4973 -4.8077 -4.8077 -4.8077 -4.8077 -4.5943 -4.5943 -4.5943 -4.5943 -4.3626 -4.3626 -4.3626 -4.3626 -3.9030 -3.9030 -3.9030 -3.9030 -3.4701 -3.4701 -3.4701 -3.4701 -3.0414 -3.0414 -3.0414 -3.0414 5.3646 5.3646 5.3646 5.3646 5.5696 5.5696 5.5696 5.5696 5.6756 5.6756 5.6756 5.6756 10.9444 10.9444 10.9444 10.9444 11.3536 11.3536 11.3536 11.3536 11.3912 11.3912 k = 0.0857 0.0495 0.3899 ( 4760 PWs) bands (ev): -20.6550 -20.6550 -20.6550 -20.6550 -19.5779 -19.5779 -19.5779 -19.5779 -5.4987 -5.4987 -5.4987 -5.4987 -4.8171 -4.8171 -4.8171 -4.8171 -4.6027 -4.6027 -4.6027 -4.6027 -4.3572 -4.3572 -4.3572 -4.3572 -3.9035 -3.9035 -3.9035 -3.9035 -3.4617 -3.4617 -3.4617 -3.4617 -3.0326 -3.0326 -3.0326 -3.0326 5.3392 5.3392 5.3392 5.3392 5.5781 5.5781 5.5781 5.5781 5.6999 5.6999 5.6999 5.6999 10.9543 10.9543 10.9543 10.9543 11.3604 11.3604 11.3604 11.3604 11.3995 11.3995 k = 0.1000 0.0577 0.3899 ( 4764 PWs) bands (ev): -20.6547 -20.6547 -20.6547 -20.6547 -19.5781 -19.5781 -19.5781 -19.5781 -5.5002 -5.5002 -5.5002 -5.5002 -4.8283 -4.8283 -4.8283 -4.8283 -4.6115 -4.6115 -4.6115 -4.6115 -4.3509 -4.3509 -4.3509 -4.3509 -3.9039 -3.9039 -3.9039 -3.9039 -3.4528 -3.4528 -3.4528 -3.4528 -3.0221 -3.0221 -3.0221 -3.0221 5.3145 5.3145 5.3145 5.3145 5.5876 5.5876 5.5876 5.5876 5.7236 5.7236 5.7236 5.7236 10.9653 10.9653 10.9653 10.9653 11.3682 11.3682 11.3682 11.3682 11.4099 11.4099 k = 0.1143 0.0660 0.3899 ( 4764 PWs) bands (ev): -20.6543 -20.6543 -20.6543 -20.6543 -19.5784 -19.5784 -19.5784 -19.5784 -5.5021 -5.5021 -5.5021 -5.5021 -4.8414 -4.8414 -4.8414 -4.8414 -4.6204 -4.6204 -4.6204 -4.6204 -4.3440 -4.3440 -4.3440 -4.3440 -3.9041 -3.9041 -3.9041 -3.9041 -3.4439 -3.4439 -3.4439 -3.4439 -3.0100 -3.0100 -3.0100 -3.0100 5.2908 5.2908 5.2908 5.2908 5.5981 5.5981 5.5981 5.5981 5.7464 5.7464 5.7464 5.7464 10.9771 10.9771 10.9771 10.9771 11.3770 11.3770 11.3770 11.3770 11.4224 11.4224 k = 0.1286 0.0742 0.3899 ( 4768 PWs) bands (ev): -20.6539 -20.6539 -20.6539 -20.6539 -19.5788 -19.5788 -19.5788 -19.5788 -5.5042 -5.5042 -5.5042 -5.5042 -4.8563 -4.8563 -4.8563 -4.8563 -4.6290 -4.6290 -4.6290 -4.6290 -4.3363 -4.3363 -4.3363 -4.3363 -3.9041 -3.9041 -3.9041 -3.9041 -3.4353 -3.4353 -3.4353 -3.4353 -2.9963 -2.9963 -2.9963 -2.9963 5.2685 5.2685 5.2685 5.2685 5.6097 5.6097 5.6097 5.6097 5.7680 5.7680 5.7680 5.7680 10.9898 10.9898 10.9898 10.9898 11.3865 11.3865 11.3865 11.3865 11.4372 11.4372 k = 0.1429 0.0825 0.3899 ( 4760 PWs) bands (ev): -20.6535 -20.6535 -20.6535 -20.6535 -19.5791 -19.5791 -19.5791 -19.5791 -5.5065 -5.5065 -5.5065 -5.5065 -4.8727 -4.8727 -4.8727 -4.8727 -4.6374 -4.6374 -4.6374 -4.6374 -4.3279 -4.3279 -4.3279 -4.3279 -3.9038 -3.9038 -3.9038 -3.9038 -3.4272 -3.4272 -3.4272 -3.4272 -2.9812 -2.9812 -2.9812 -2.9812 5.2476 5.2476 5.2476 5.2476 5.6222 5.6222 5.6222 5.6222 5.7881 5.7881 5.7881 5.7881 11.0032 11.0032 11.0032 11.0032 11.3967 11.3967 11.3967 11.3967 11.4539 11.4539 k = 0.1571 0.0907 0.3899 ( 4760 PWs) bands (ev): -20.6530 -20.6530 -20.6530 -20.6530 -19.5795 -19.5795 -19.5795 -19.5795 -5.5091 -5.5091 -5.5091 -5.5091 -4.8905 -4.8905 -4.8905 -4.8905 -4.6453 -4.6453 -4.6453 -4.6453 -4.3189 -4.3189 -4.3189 -4.3189 -3.9033 -3.9033 -3.9033 -3.9033 -3.4198 -3.4198 -3.4198 -3.4198 -2.9647 -2.9647 -2.9647 -2.9647 5.2282 5.2282 5.2282 5.2282 5.6357 5.6357 5.6357 5.6357 5.8066 5.8066 5.8066 5.8066 11.0176 11.0176 11.0176 11.0176 11.4076 11.4076 11.4076 11.4076 11.4720 11.4720 k = 0.1714 0.0990 0.3899 ( 4764 PWs) bands (ev): -20.6525 -20.6525 -20.6525 -20.6525 -19.5799 -19.5799 -19.5799 -19.5799 -5.5119 -5.5119 -5.5119 -5.5119 -4.9095 -4.9095 -4.9095 -4.9095 -4.6526 -4.6526 -4.6526 -4.6526 -4.3093 -4.3093 -4.3093 -4.3093 -3.9027 -3.9027 -3.9027 -3.9027 -3.4131 -3.4131 -3.4131 -3.4131 -2.9471 -2.9471 -2.9471 -2.9471 5.2106 5.2106 5.2106 5.2106 5.6500 5.6500 5.6500 5.6500 5.8233 5.8233 5.8233 5.8233 11.0330 11.0330 11.0330 11.0330 11.4190 11.4190 11.4190 11.4190 11.4909 11.4909 k = 0.1857 0.1072 0.3899 ( 4776 PWs) bands (ev): -20.6520 -20.6520 -20.6520 -20.6520 -19.5804 -19.5804 -19.5804 -19.5804 -5.5150 -5.5150 -5.5150 -5.5150 -4.9292 -4.9292 -4.9292 -4.9292 -4.6595 -4.6595 -4.6595 -4.6595 -4.2993 -4.2993 -4.2993 -4.2993 -3.9018 -3.9018 -3.9018 -3.9018 -3.4073 -3.4073 -3.4073 -3.4073 -2.9286 -2.9286 -2.9286 -2.9286 5.1948 5.1948 5.1948 5.1948 5.6651 5.6651 5.6651 5.6651 5.8382 5.8382 5.8382 5.8382 11.0497 11.0497 11.0497 11.0497 11.4310 11.4310 11.4310 11.4310 11.5098 11.5098 k = 0.2000 0.1155 0.3899 ( 4774 PWs) bands (ev): -20.6515 -20.6515 -20.6515 -20.6515 -19.5808 -19.5808 -19.5808 -19.5808 -5.5184 -5.5184 -5.5184 -5.5184 -4.9495 -4.9495 -4.9495 -4.9495 -4.6659 -4.6659 -4.6659 -4.6659 -4.2887 -4.2887 -4.2887 -4.2887 -3.9009 -3.9009 -3.9009 -3.9009 -3.4023 -3.4023 -3.4023 -3.4023 -2.9094 -2.9094 -2.9094 -2.9094 5.1808 5.1808 5.1808 5.1808 5.6809 5.6809 5.6809 5.6809 5.8511 5.8511 5.8511 5.8511 11.0680 11.0680 11.0680 11.0680 11.4436 11.4436 11.4436 11.4436 11.5278 11.5278 k = 0.2143 0.1237 0.3899 ( 4782 PWs) bands (ev): -20.6510 -20.6510 -20.6510 -20.6510 -19.5813 -19.5813 -19.5813 -19.5813 -5.5220 -5.5220 -5.5220 -5.5220 -4.9699 -4.9699 -4.9699 -4.9699 -4.6719 -4.6719 -4.6719 -4.6719 -4.2778 -4.2778 -4.2778 -4.2778 -3.8999 -3.8999 -3.8999 -3.8999 -3.3980 -3.3980 -3.3980 -3.3980 -2.8898 -2.8898 -2.8898 -2.8898 5.1688 5.1688 5.1688 5.1688 5.6972 5.6972 5.6972 5.6972 5.8620 5.8620 5.8620 5.8620 11.0880 11.0880 11.0880 11.0880 11.4567 11.4567 11.4567 11.4567 11.5440 11.5440 k = 0.2286 0.1320 0.3899 ( 4778 PWs) bands (ev): -20.6504 -20.6504 -20.6504 -20.6504 -19.5818 -19.5818 -19.5818 -19.5818 -5.5259 -5.5259 -5.5259 -5.5259 -4.9903 -4.9903 -4.9903 -4.9903 -4.6774 -4.6774 -4.6774 -4.6774 -4.2666 -4.2666 -4.2666 -4.2666 -3.8988 -3.8988 -3.8988 -3.8988 -3.3945 -3.3945 -3.3945 -3.3945 -2.8700 -2.8700 -2.8700 -2.8700 5.1586 5.1586 5.1586 5.1586 5.7140 5.7140 5.7140 5.7140 5.8710 5.8710 5.8710 5.8710 11.1099 11.1099 11.1099 11.1099 11.4702 11.4702 11.4702 11.4702 11.5577 11.5577 k = 0.2429 0.1402 0.3899 ( 4774 PWs) bands (ev): -20.6498 -20.6498 -20.6498 -20.6498 -19.5823 -19.5823 -19.5823 -19.5823 -5.5300 -5.5300 -5.5300 -5.5300 -5.0104 -5.0104 -5.0104 -5.0104 -4.6826 -4.6826 -4.6826 -4.6826 -4.2552 -4.2552 -4.2552 -4.2552 -3.8978 -3.8978 -3.8978 -3.8978 -3.3915 -3.3915 -3.3915 -3.3915 -2.8503 -2.8503 -2.8503 -2.8503 5.1505 5.1505 5.1505 5.1505 5.7310 5.7310 5.7310 5.7310 5.8780 5.8780 5.8780 5.8780 11.1335 11.1335 11.1335 11.1335 11.4840 11.4840 11.4840 11.4840 11.5683 11.5683 k = 0.2571 0.1485 0.3899 ( 4770 PWs) bands (ev): -20.6493 -20.6493 -20.6493 -20.6493 -19.5827 -19.5827 -19.5827 -19.5827 -5.5344 -5.5344 -5.5344 -5.5344 -5.0299 -5.0299 -5.0299 -5.0299 -4.6874 -4.6874 -4.6874 -4.6874 -4.2436 -4.2436 -4.2436 -4.2436 -3.8968 -3.8968 -3.8968 -3.8968 -3.3891 -3.3891 -3.3891 -3.3891 -2.8308 -2.8308 -2.8308 -2.8308 5.1442 5.1442 5.1442 5.1442 5.7482 5.7482 5.7482 5.7482 5.8832 5.8832 5.8832 5.8832 11.1586 11.1586 11.1586 11.1586 11.4981 11.4981 11.4981 11.4981 11.5755 11.5755 k = 0.2714 0.1567 0.3899 ( 4772 PWs) bands (ev): -20.6487 -20.6487 -20.6487 -20.6487 -19.5832 -19.5832 -19.5832 -19.5832 -5.5390 -5.5390 -5.5390 -5.5390 -5.0488 -5.0488 -5.0488 -5.0488 -4.6918 -4.6918 -4.6918 -4.6918 -4.2320 -4.2320 -4.2320 -4.2320 -3.8959 -3.8959 -3.8959 -3.8959 -3.3871 -3.3871 -3.3871 -3.3871 -2.8118 -2.8118 -2.8118 -2.8118 5.1397 5.1397 5.1397 5.1397 5.7653 5.7653 5.7653 5.7653 5.8866 5.8866 5.8866 5.8866 11.1847 11.1847 11.1847 11.1847 11.5122 11.5122 11.5122 11.5122 11.5797 11.5797 k = 0.2857 0.1650 0.3899 ( 4782 PWs) bands (ev): -20.6481 -20.6481 -20.6481 -20.6481 -19.5837 -19.5837 -19.5837 -19.5837 -5.5438 -5.5438 -5.5438 -5.5438 -5.0668 -5.0668 -5.0668 -5.0668 -4.6960 -4.6960 -4.6960 -4.6960 -4.2204 -4.2204 -4.2204 -4.2204 -3.8951 -3.8951 -3.8951 -3.8951 -3.3855 -3.3855 -3.3855 -3.3855 -2.7934 -2.7934 -2.7934 -2.7934 5.1370 5.1370 5.1370 5.1370 5.7821 5.7821 5.7821 5.7821 5.8885 5.8885 5.8885 5.8885 11.2108 11.2108 11.2108 11.2108 11.5262 11.5262 11.5262 11.5262 11.5819 11.5819 k = 0.3000 0.1732 0.3899 ( 4782 PWs) bands (ev): -20.6476 -20.6476 -20.6476 -20.6476 -19.5842 -19.5842 -19.5842 -19.5842 -5.5487 -5.5487 -5.5487 -5.5487 -5.0838 -5.0838 -5.0838 -5.0838 -4.6998 -4.6998 -4.6998 -4.6998 -4.2090 -4.2090 -4.2090 -4.2090 -3.8944 -3.8944 -3.8944 -3.8944 -3.3842 -3.3842 -3.3842 -3.3842 -2.7758 -2.7758 -2.7758 -2.7758 5.1360 5.1360 5.1360 5.1360 5.7985 5.7985 5.7985 5.7985 5.8890 5.8890 5.8890 5.8890 11.2354 11.2354 11.2354 11.2354 11.5399 11.5399 11.5399 11.5399 11.5837 11.5837 k = 0.3143 0.1815 0.3899 ( 4786 PWs) bands (ev): -20.6471 -20.6471 -20.6471 -20.6471 -19.5846 -19.5846 -19.5846 -19.5846 -5.5538 -5.5538 -5.5538 -5.5538 -5.0997 -5.0997 -5.0997 -5.0997 -4.7034 -4.7034 -4.7034 -4.7034 -4.1978 -4.1978 -4.1978 -4.1978 -3.8939 -3.8939 -3.8939 -3.8939 -3.3832 -3.3832 -3.3832 -3.3832 -2.7590 -2.7590 -2.7590 -2.7590 5.1365 5.1365 5.1365 5.1365 5.8140 5.8140 5.8140 5.8140 5.8886 5.8886 5.8886 5.8886 11.2561 11.2561 11.2561 11.2561 11.5532 11.5532 11.5532 11.5532 11.5875 11.5875 k = 0.3286 0.1897 0.3899 ( 4800 PWs) bands (ev): -20.6465 -20.6465 -20.6465 -20.6465 -19.5851 -19.5851 -19.5851 -19.5851 -5.5589 -5.5589 -5.5589 -5.5589 -5.1144 -5.1144 -5.1144 -5.1144 -4.7067 -4.7067 -4.7067 -4.7067 -4.1869 -4.1869 -4.1869 -4.1869 -3.8935 -3.8935 -3.8935 -3.8935 -3.3823 -3.3823 -3.3823 -3.3823 -2.7433 -2.7433 -2.7433 -2.7433 5.1383 5.1383 5.1383 5.1383 5.8280 5.8280 5.8280 5.8280 5.8879 5.8879 5.8879 5.8879 11.2705 11.2705 11.2705 11.2705 11.5671 11.5671 11.5671 11.5671 11.5954 11.5954 k = 0.3429 0.1979 0.3899 ( 4792 PWs) bands (ev): -20.6461 -20.6461 -20.6461 -20.6461 -19.5855 -19.5855 -19.5855 -19.5855 -5.5640 -5.5640 -5.5640 -5.5640 -5.1279 -5.1279 -5.1279 -5.1279 -4.7097 -4.7097 -4.7097 -4.7097 -4.1765 -4.1765 -4.1765 -4.1765 -3.8933 -3.8933 -3.8933 -3.8933 -3.3816 -3.3816 -3.3816 -3.3816 -2.7286 -2.7286 -2.7286 -2.7286 5.1414 5.1414 5.1414 5.1414 5.8395 5.8395 5.8395 5.8395 5.8880 5.8880 5.8880 5.8880 11.2764 11.2764 11.2764 11.2764 11.5829 11.5829 11.5829 11.5829 11.6084 11.6084 k = 0.3571 0.2062 0.3899 ( 4800 PWs) bands (ev): -20.6456 -20.6456 -20.6456 -20.6456 -19.5859 -19.5859 -19.5859 -19.5859 -5.5690 -5.5690 -5.5690 -5.5690 -5.1402 -5.1402 -5.1402 -5.1402 -4.7124 -4.7124 -4.7124 -4.7124 -4.1665 -4.1665 -4.1665 -4.1665 -3.8932 -3.8932 -3.8932 -3.8932 -3.3811 -3.3811 -3.3811 -3.3811 -2.7151 -2.7151 -2.7151 -2.7151 5.1454 5.1454 5.1454 5.1454 5.8468 5.8468 5.8468 5.8468 5.8907 5.8907 5.8907 5.8907 11.2734 11.2734 11.2734 11.2734 11.5993 11.5993 11.5993 11.5993 11.6284 11.6284 k = 0.3714 0.2144 0.3899 ( 4788 PWs) bands (ev): -20.6452 -20.6452 -20.6452 -20.6452 -19.5862 -19.5862 -19.5862 -19.5862 -5.5739 -5.5739 -5.5739 -5.5739 -5.1512 -5.1512 -5.1512 -5.1512 -4.7149 -4.7149 -4.7149 -4.7149 -4.1571 -4.1571 -4.1571 -4.1571 -3.8932 -3.8932 -3.8932 -3.8932 -3.3806 -3.3806 -3.3806 -3.3806 -2.7028 -2.7028 -2.7028 -2.7028 5.1501 5.1501 5.1501 5.1501 5.8491 5.8491 5.8491 5.8491 5.8968 5.8968 5.8968 5.8968 11.2630 11.2630 11.2630 11.2630 11.6139 11.6139 11.6139 11.6139 11.6568 11.6568 k = 0.3857 0.2227 0.3899 ( 4788 PWs) bands (ev): -20.6448 -20.6448 -20.6448 -20.6448 -19.5866 -19.5866 -19.5866 -19.5866 -5.5785 -5.5785 -5.5785 -5.5785 -5.1610 -5.1610 -5.1610 -5.1610 -4.7170 -4.7170 -4.7170 -4.7170 -4.1485 -4.1485 -4.1485 -4.1485 -3.8934 -3.8934 -3.8934 -3.8934 -3.3801 -3.3801 -3.3801 -3.3801 -2.6917 -2.6917 -2.6917 -2.6917 5.1554 5.1554 5.1554 5.1554 5.8475 5.8475 5.8475 5.8475 5.9054 5.9054 5.9054 5.9054 11.2474 11.2474 11.2474 11.2474 11.6265 11.6265 11.6265 11.6265 11.6912 11.6912 k = 0.4000 0.2309 0.3899 ( 4800 PWs) bands (ev): -20.6444 -20.6444 -20.6444 -20.6444 -19.5869 -19.5869 -19.5869 -19.5869 -5.5828 -5.5828 -5.5828 -5.5828 -5.1695 -5.1695 -5.1695 -5.1695 -4.7190 -4.7190 -4.7190 -4.7190 -4.1406 -4.1406 -4.1406 -4.1406 -3.8936 -3.8936 -3.8936 -3.8936 -3.3798 -3.3798 -3.3798 -3.3798 -2.6819 -2.6819 -2.6819 -2.6819 5.1609 5.1609 5.1609 5.1609 5.8437 5.8437 5.8437 5.8437 5.9147 5.9147 5.9147 5.9147 11.2291 11.2291 11.2291 11.2291 11.6375 11.6375 11.6375 11.6375 11.7283 11.7283 k = 0.4143 0.2392 0.3899 ( 4802 PWs) bands (ev): -20.6441 -20.6441 -20.6441 -20.6441 -19.5871 -19.5871 -19.5871 -19.5871 -5.5868 -5.5868 -5.5868 -5.5868 -5.1768 -5.1768 -5.1768 -5.1768 -4.7206 -4.7206 -4.7206 -4.7206 -4.1336 -4.1336 -4.1336 -4.1336 -3.8939 -3.8939 -3.8939 -3.8939 -3.3794 -3.3794 -3.3794 -3.3794 -2.6733 -2.6733 -2.6733 -2.6733 5.1663 5.1663 5.1663 5.1663 5.8392 5.8392 5.8392 5.8392 5.9238 5.9238 5.9238 5.9238 11.2101 11.2101 11.2101 11.2101 11.6472 11.6472 11.6472 11.6472 11.7656 11.7656 k = 0.4286 0.2474 0.3899 ( 4802 PWs) bands (ev): -20.6438 -20.6438 -20.6438 -20.6438 -19.5874 -19.5874 -19.5874 -19.5874 -5.5902 -5.5902 -5.5902 -5.5902 -5.1830 -5.1830 -5.1830 -5.1830 -4.7220 -4.7220 -4.7220 -4.7220 -4.1275 -4.1275 -4.1275 -4.1275 -3.8943 -3.8943 -3.8943 -3.8943 -3.3792 -3.3792 -3.3792 -3.3792 -2.6661 -2.6661 -2.6661 -2.6661 5.1715 5.1715 5.1715 5.1715 5.8345 5.8345 5.8345 5.8345 5.9319 5.9319 5.9319 5.9319 11.1918 11.1918 11.1918 11.1918 11.6555 11.6555 11.6555 11.6555 11.8008 11.8008 k = 0.4429 0.2557 0.3899 ( 4820 PWs) bands (ev): -20.6436 -20.6436 -20.6436 -20.6436 -19.5876 -19.5876 -19.5876 -19.5876 -5.5932 -5.5932 -5.5932 -5.5932 -5.1879 -5.1879 -5.1879 -5.1879 -4.7231 -4.7231 -4.7231 -4.7231 -4.1224 -4.1224 -4.1224 -4.1224 -3.8946 -3.8946 -3.8946 -3.8946 -3.3790 -3.3790 -3.3790 -3.3790 -2.6602 -2.6602 -2.6602 -2.6602 5.1762 5.1762 5.1762 5.1762 5.8301 5.8301 5.8301 5.8301 5.9389 5.9389 5.9389 5.9389 11.1756 11.1756 11.1756 11.1756 11.6625 11.6625 11.6625 11.6625 11.8320 11.8320 k = 0.4571 0.2639 0.3899 ( 4816 PWs) bands (ev): -20.6434 -20.6434 -20.6434 -20.6434 -19.5877 -19.5877 -19.5877 -19.5877 -5.5955 -5.5955 -5.5955 -5.5955 -5.1918 -5.1918 -5.1918 -5.1918 -4.7240 -4.7240 -4.7240 -4.7240 -4.1183 -4.1183 -4.1183 -4.1183 -3.8949 -3.8949 -3.8949 -3.8949 -3.3788 -3.3788 -3.3788 -3.3788 -2.6556 -2.6556 -2.6556 -2.6556 5.1801 5.1801 5.1801 5.1801 5.8264 5.8264 5.8264 5.8264 5.9445 5.9445 5.9445 5.9445 11.1621 11.1621 11.1621 11.1621 11.6680 11.6680 11.6680 11.6680 11.8577 11.8577 k = 0.4714 0.2722 0.3899 ( 4816 PWs) bands (ev): -20.6433 -20.6433 -20.6433 -20.6433 -19.5878 -19.5878 -19.5878 -19.5878 -5.5972 -5.5972 -5.5972 -5.5972 -5.1945 -5.1945 -5.1945 -5.1945 -4.7247 -4.7247 -4.7247 -4.7247 -4.1154 -4.1154 -4.1154 -4.1154 -3.8952 -3.8952 -3.8952 -3.8952 -3.3787 -3.3787 -3.3787 -3.3787 -2.6523 -2.6523 -2.6523 -2.6523 5.1830 5.1830 5.1830 5.1830 5.8235 5.8235 5.8235 5.8235 5.9485 5.9485 5.9485 5.9485 11.1521 11.1521 11.1521 11.1521 11.6719 11.6719 11.6719 11.6719 11.8768 11.8768 k = 0.4857 0.2804 0.3899 ( 4808 PWs) bands (ev): -20.6432 -20.6432 -20.6432 -20.6432 -19.5879 -19.5879 -19.5879 -19.5879 -5.5983 -5.5983 -5.5983 -5.5983 -5.1961 -5.1961 -5.1961 -5.1961 -4.7250 -4.7250 -4.7250 -4.7250 -4.1136 -4.1136 -4.1136 -4.1136 -3.8953 -3.8953 -3.8953 -3.8953 -3.3786 -3.3786 -3.3786 -3.3786 -2.6503 -2.6503 -2.6503 -2.6503 5.1848 5.1848 5.1848 5.1848 5.8217 5.8217 5.8217 5.8217 5.9510 5.9510 5.9510 5.9510 11.1459 11.1459 11.1459 11.1459 11.6743 11.6743 11.6743 11.6743 11.8885 11.8885 k = 0.5000 0.2887 0.3899 ( 4812 PWs) bands (ev): -20.6432 -20.6432 -20.6432 -20.6432 -19.5879 -19.5879 -19.5879 -19.5879 -5.5986 -5.5986 -5.5986 -5.5986 -5.1966 -5.1966 -5.1966 -5.1966 -4.7252 -4.7252 -4.7252 -4.7252 -4.1130 -4.1130 -4.1130 -4.1130 -3.8954 -3.8954 -3.8954 -3.8954 -3.3786 -3.3786 -3.3786 -3.3786 -2.6497 -2.6497 -2.6497 -2.6497 5.1854 5.1854 5.1854 5.1854 5.8211 5.8211 5.8211 5.8211 5.9518 5.9518 5.9518 5.9518 11.1438 11.1438 11.1438 11.1438 11.6751 11.6751 11.6751 11.6751 11.8925 11.8925 k = 0.5000 0.2887 0.3899 ( 4812 PWs) bands (ev): -20.6432 -20.6432 -20.6432 -20.6432 -19.5879 -19.5879 -19.5879 -19.5879 -5.5986 -5.5986 -5.5986 -5.5986 -5.1966 -5.1966 -5.1966 -5.1966 -4.7252 -4.7252 -4.7252 -4.7252 -4.1130 -4.1130 -4.1130 -4.1130 -3.8954 -3.8954 -3.8954 -3.8954 -3.3786 -3.3786 -3.3786 -3.3786 -2.6497 -2.6497 -2.6497 -2.6497 5.1854 5.1854 5.1854 5.1854 5.8211 5.8211 5.8211 5.8211 5.9518 5.9518 5.9518 5.9518 11.1438 11.1438 11.1438 11.1438 11.6751 11.6751 11.6751 11.6751 11.8925 11.8925 k = 0.4917 0.3031 0.3899 ( 4812 PWs) bands (ev): -20.6432 -20.6432 -20.6432 -20.6432 -19.5879 -19.5879 -19.5879 -19.5879 -5.6067 -5.6067 -5.5906 -5.5906 -5.2088 -5.2088 -5.1857 -5.1857 -4.7313 -4.7313 -4.7172 -4.7172 -4.1198 -4.1198 -4.1065 -4.1065 -3.9034 -3.9034 -3.8870 -3.8870 -3.3825 -3.3825 -3.3754 -3.3754 -2.6577 -2.6577 -2.6412 -2.6412 5.1859 5.1859 5.1867 5.1867 5.8173 5.8173 5.8215 5.8215 5.9520 5.9520 5.9541 5.9541 11.1434 11.1434 11.1441 11.1441 11.6759 11.6759 11.6774 11.6774 11.8905 11.8905 k = 0.4833 0.3175 0.3899 ( 4816 PWs) bands (ev): -20.6432 -20.6432 -20.6432 -20.6432 -19.5879 -19.5879 -19.5879 -19.5879 -5.6149 -5.6149 -5.5828 -5.5828 -5.2222 -5.2222 -5.1762 -5.1762 -4.7357 -4.7357 -4.7075 -4.7075 -4.1269 -4.1269 -4.1005 -4.1005 -3.9112 -3.9112 -3.8780 -3.8780 -3.3872 -3.3872 -3.3733 -3.3733 -2.6651 -2.6651 -2.6323 -2.6323 5.1879 5.1879 5.1895 5.1895 5.8104 5.8104 5.8185 5.8185 5.9546 5.9546 5.9584 5.9584 11.1428 11.1428 11.1442 11.1442 11.6793 11.6793 11.6825 11.6825 11.8851 11.8851 k = 0.4750 0.3320 0.3899 ( 4816 PWs) bands (ev): -20.6431 -20.6431 -20.6431 -20.6431 -19.5880 -19.5880 -19.5880 -19.5880 -5.6232 -5.6232 -5.5752 -5.5752 -5.2366 -5.2366 -5.1680 -5.1680 -4.7386 -4.7386 -4.6960 -4.6960 -4.1340 -4.1340 -4.0950 -4.0950 -3.9187 -3.9187 -3.8685 -3.8685 -3.3925 -3.3925 -3.3722 -3.3722 -2.6719 -2.6719 -2.6231 -2.6231 5.1915 5.1915 5.1939 5.1939 5.8013 5.8013 5.8124 5.8124 5.9593 5.9593 5.9640 5.9640 11.1421 11.1421 11.1442 11.1442 11.6847 11.6847 11.6896 11.6896 11.8776 11.8776 k = 0.4667 0.3464 0.3899 ( 4812 PWs) bands (ev): -20.6431 -20.6431 -20.6431 -20.6431 -19.5880 -19.5880 -19.5880 -19.5880 -5.6315 -5.6315 -5.5677 -5.5677 -5.2517 -5.2517 -5.1612 -5.1612 -4.7401 -4.7401 -4.6829 -4.6829 -4.1412 -4.1412 -4.0902 -4.0902 -3.9262 -3.9262 -3.8581 -3.8581 -3.3983 -3.3983 -3.3723 -3.3723 -2.6780 -2.6780 -2.6137 -2.6137 5.1967 5.1967 5.1999 5.1999 5.7907 5.7907 5.8041 5.8041 5.9653 5.9653 5.9702 5.9702 11.1413 11.1413 11.1441 11.1441 11.6903 11.6903 11.6969 11.6969 11.8702 11.8702 k = 0.4583 0.3608 0.3899 ( 4796 PWs) bands (ev): -20.6430 -20.6430 -20.6430 -20.6430 -19.5881 -19.5881 -19.5881 -19.5881 -5.6398 -5.6398 -5.5605 -5.5605 -5.2674 -5.2674 -5.1556 -5.1556 -4.7403 -4.7403 -4.6684 -4.6684 -4.1483 -4.1483 -4.0861 -4.0861 -3.9334 -3.9334 -3.8468 -3.8468 -3.4045 -3.4045 -3.3737 -3.3737 -2.6833 -2.6833 -2.6043 -2.6043 5.2032 5.2032 5.2072 5.2072 5.7791 5.7791 5.7942 5.7942 5.9719 5.9719 5.9765 5.9765 11.1403 11.1403 11.1438 11.1438 11.6940 11.6940 11.7022 11.7022 11.8662 11.8662 k = 0.4500 0.3753 0.3899 ( 4800 PWs) bands (ev): -20.6429 -20.6429 -20.6429 -20.6429 -19.5882 -19.5882 -19.5881 -19.5881 -5.6479 -5.6479 -5.5535 -5.5535 -5.2835 -5.2835 -5.1512 -5.1512 -4.7396 -4.7396 -4.6528 -4.6528 -4.1554 -4.1554 -4.0829 -4.0829 -3.9405 -3.9405 -3.8344 -3.8344 -3.4109 -3.4109 -3.3765 -3.3765 -2.6878 -2.6878 -2.5949 -2.5949 5.2111 5.2111 5.2159 5.2159 5.7670 5.7670 5.7834 5.7834 5.9786 5.9786 5.9824 5.9824 11.1392 11.1392 11.1433 11.1433 11.6934 11.6934 11.7026 11.7026 11.8690 11.8690 k = 0.4417 0.3897 0.3899 ( 4804 PWs) bands (ev): -20.6428 -20.6428 -20.6428 -20.6428 -19.5882 -19.5882 -19.5882 -19.5882 -5.6560 -5.6560 -5.5466 -5.5466 -5.2998 -5.2998 -5.1478 -5.1478 -4.7382 -4.7382 -4.6363 -4.6363 -4.1624 -4.1624 -4.0805 -4.0805 -3.9474 -3.9474 -3.8210 -3.8210 -3.4175 -3.4175 -3.3808 -3.3808 -2.6915 -2.6915 -2.5856 -2.5856 5.2201 5.2201 5.2256 5.2256 5.7549 5.7549 5.7722 5.7722 5.9850 5.9850 5.9877 5.9877 11.1378 11.1378 11.1426 11.1426 11.6876 11.6876 11.6970 11.6970 11.8806 11.8806 k = 0.4333 0.4041 0.3899 ( 4812 PWs) bands (ev): -20.6427 -20.6427 -20.6427 -20.6427 -19.5883 -19.5883 -19.5883 -19.5883 -5.6638 -5.6638 -5.5400 -5.5400 -5.3160 -5.3160 -5.1452 -5.1452 -4.7361 -4.7361 -4.6194 -4.6194 -4.1692 -4.1692 -4.0789 -4.0789 -3.9539 -3.9539 -3.8064 -3.8064 -3.4242 -3.4242 -3.3865 -3.3865 -2.6944 -2.6944 -2.5765 -2.5765 5.2300 5.2300 5.2363 5.2363 5.7430 5.7430 5.7609 5.7609 5.9908 5.9908 5.9922 5.9922 11.1360 11.1360 11.1414 11.1414 11.6777 11.6777 11.6865 11.6865 11.9004 11.9004 k = 0.4250 0.4186 0.3899 ( 4812 PWs) bands (ev): -20.6426 -20.6426 -20.6426 -20.6426 -19.5884 -19.5884 -19.5884 -19.5884 -5.6714 -5.6714 -5.5335 -5.5335 -5.3319 -5.3319 -5.1433 -5.1433 -4.7337 -4.7337 -4.6023 -4.6023 -4.1758 -4.1758 -4.0780 -4.0780 -3.9600 -3.9600 -3.7908 -3.7908 -3.4308 -3.4308 -3.3937 -3.3937 -2.6965 -2.6965 -2.5678 -2.5678 5.2407 5.2407 5.2478 5.2478 5.7317 5.7317 5.7498 5.7498 5.9957 5.9957 5.9958 5.9958 11.1336 11.1336 11.1396 11.1396 11.6656 11.6656 11.6738 11.6738 11.9258 11.9258 k = 0.4167 0.4330 0.3899 ( 4816 PWs) bands (ev): -20.6425 -20.6425 -20.6425 -20.6425 -19.5885 -19.5885 -19.5885 -19.5885 -5.6786 -5.6786 -5.5273 -5.5273 -5.3475 -5.3475 -5.1419 -5.1419 -4.7310 -4.7310 -4.5854 -4.5854 -4.1823 -4.1823 -4.0778 -4.0778 -3.9656 -3.9656 -3.7741 -3.7741 -3.4374 -3.4374 -3.4023 -3.4023 -2.6979 -2.6979 -2.5594 -2.5594 5.2520 5.2520 5.2597 5.2597 5.7210 5.7210 5.7392 5.7392 5.9982 5.9982 5.9999 5.9999 11.1306 11.1306 11.1371 11.1371 11.6536 11.6536 11.6611 11.6611 11.9545 11.9545 k = 0.4083 0.4474 0.3899 ( 4816 PWs) bands (ev): -20.6423 -20.6423 -20.6423 -20.6423 -19.5886 -19.5886 -19.5886 -19.5886 -5.6854 -5.6854 -5.5212 -5.5212 -5.3625 -5.3625 -5.1410 -5.1410 -4.7283 -4.7283 -4.5691 -4.5691 -4.1884 -4.1884 -4.0780 -4.0780 -3.9706 -3.9706 -3.7566 -3.7566 -3.4437 -3.4437 -3.4123 -3.4123 -2.6987 -2.6987 -2.5516 -2.5516 5.2635 5.2635 5.2719 5.2719 5.7111 5.7111 5.7292 5.7292 5.9998 5.9998 6.0031 6.0031 11.1267 11.1267 11.1337 11.1337 11.6430 11.6430 11.6499 11.6499 11.9857 11.9857 k = 0.4000 0.4619 0.3899 ( 4820 PWs) bands (ev): -20.6422 -20.6422 -20.6422 -20.6422 -19.5887 -19.5887 -19.5887 -19.5887 -5.6918 -5.6918 -5.5153 -5.5153 -5.3768 -5.3768 -5.1405 -5.1405 -4.7256 -4.7256 -4.5537 -4.5537 -4.1942 -4.1942 -4.0787 -4.0787 -3.9749 -3.9749 -3.7384 -3.7384 -3.4498 -3.4498 -3.4236 -3.4236 -2.6990 -2.6990 -2.5443 -2.5443 5.2750 5.2750 5.2839 5.2839 5.7023 5.7023 5.7201 5.7201 6.0004 6.0004 6.0054 6.0054 11.1219 11.1219 11.1294 11.1294 11.6349 11.6349 11.6413 11.6413 12.0182 12.0182 k = 0.3917 0.4763 0.3899 ( 4812 PWs) bands (ev): -20.6421 -20.6421 -20.6421 -20.6421 -19.5888 -19.5888 -19.5888 -19.5888 -5.6976 -5.6976 -5.5095 -5.5095 -5.3903 -5.3903 -5.1402 -5.1402 -4.7231 -4.7231 -4.5395 -4.5395 -4.1995 -4.1995 -4.0796 -4.0796 -3.9786 -3.9786 -3.7196 -3.7196 -3.4555 -3.4555 -3.4360 -3.4360 -2.6988 -2.6988 -2.5376 -2.5376 5.2861 5.2861 5.2956 5.2956 5.6945 5.6945 5.7120 5.7120 6.0002 6.0002 6.0070 6.0070 11.1164 11.1164 11.1243 11.1243 11.6298 11.6298 11.6357 11.6357 12.0507 12.0507 k = 0.3833 0.4907 0.3899 ( 4816 PWs) bands (ev): -20.6420 -20.6420 -20.6420 -20.6420 -19.5889 -19.5889 -19.5889 -19.5889 -5.7028 -5.7028 -5.5038 -5.5038 -5.4030 -5.4030 -5.1401 -5.1401 -4.7209 -4.7209 -4.5268 -4.5268 -4.2042 -4.2042 -4.0807 -4.0807 -3.9816 -3.9816 -3.7006 -3.7006 -3.4606 -3.4606 -3.4495 -3.4495 -2.6984 -2.6984 -2.5317 -2.5317 5.2966 5.2966 5.3066 5.3066 5.6879 5.6879 5.7048 5.7048 5.9994 5.9994 6.0078 6.0078 11.1103 11.1103 11.1185 11.1185 11.6275 11.6275 11.6332 11.6332 12.0822 12.0822 k = 0.3750 0.5052 0.3899 ( 4820 PWs) bands (ev): -20.6419 -20.6419 -20.6419 -20.6419 -19.5890 -19.5890 -19.5890 -19.5890 -5.7073 -5.7073 -5.4983 -5.4983 -5.4146 -5.4146 -5.1402 -5.1402 -4.7189 -4.7189 -4.5159 -4.5159 -4.2082 -4.2082 -4.0818 -4.0818 -3.9839 -3.9839 -3.6815 -3.6815 -3.4652 -3.4652 -3.4636 -3.4636 -2.6977 -2.6977 -2.5265 -2.5265 5.3062 5.3062 5.3166 5.3166 5.6825 5.6825 5.6988 5.6988 5.9981 5.9981 6.0080 6.0080 11.1040 11.1040 11.1124 11.1124 11.6280 11.6280 11.6335 11.6335 12.1118 12.1118 k = 0.3667 0.5196 0.3899 ( 4816 PWs) bands (ev): -20.6418 -20.6418 -20.6418 -20.6418 -19.5891 -19.5891 -19.5891 -19.5891 -5.7111 -5.7111 -5.4929 -5.4929 -5.4251 -5.4251 -5.1403 -5.1403 -4.7173 -4.7173 -4.5069 -4.5069 -4.2115 -4.2115 -4.0828 -4.0828 -3.9856 -3.9856 -3.6630 -3.6630 -3.4782 -3.4782 -3.4692 -3.4692 -2.6969 -2.6969 -2.5222 -2.5222 5.3146 5.3146 5.3252 5.3252 5.6783 5.6783 5.6939 5.6939 5.9966 5.9966 6.0079 6.0079 11.0978 11.0978 11.1064 11.1064 11.6304 11.6304 11.6359 11.6359 12.1388 12.1388 k = 0.3583 0.5340 0.3899 ( 4810 PWs) bands (ev): -20.6417 -20.6417 -20.6417 -20.6417 -19.5892 -19.5892 -19.5891 -19.5891 -5.7141 -5.7141 -5.4878 -5.4878 -5.4344 -5.4344 -5.1404 -5.1404 -4.7160 -4.7160 -4.5000 -4.5000 -4.2139 -4.2139 -4.0837 -4.0837 -3.9868 -3.9868 -3.6454 -3.6454 -3.4925 -3.4925 -3.4723 -3.4723 -2.6961 -2.6961 -2.5187 -2.5187 5.3214 5.3214 5.3322 5.3322 5.6751 5.6751 5.6902 5.6902 5.9951 5.9951 6.0075 6.0075 11.0923 11.0923 11.1011 11.1011 11.6341 11.6341 11.6396 11.6396 12.1626 12.1626 k = 0.3500 0.5485 0.3899 ( 4818 PWs) bands (ev): -20.6417 -20.6417 -20.6417 -20.6417 -19.5892 -19.5892 -19.5892 -19.5892 -5.7163 -5.7163 -5.4831 -5.4831 -5.4421 -5.4421 -5.1405 -5.1405 -4.7151 -4.7151 -4.4952 -4.4952 -4.2155 -4.2155 -4.0843 -4.0843 -3.9875 -3.9875 -3.6301 -3.6301 -3.5055 -3.5055 -3.4746 -3.4746 -2.6955 -2.6955 -2.5162 -2.5162 5.3265 5.3265 5.3375 5.3375 5.6730 5.6730 5.6876 5.6876 5.9938 5.9938 6.0071 6.0071 11.0878 11.0878 11.0967 11.0967 11.6380 11.6380 11.6436 11.6436 12.1830 12.1845 k = 0.3417 0.5629 0.3899 ( 4802 PWs) bands (ev): -20.6416 -20.6416 -20.6416 -20.6416 -19.5892 -19.5892 -19.5892 -19.5892 -5.7176 -5.7176 -5.4796 -5.4796 -5.4475 -5.4475 -5.1407 -5.1407 -4.7146 -4.7146 -4.4925 -4.4925 -4.2163 -4.2163 -4.0847 -4.0847 -3.9879 -3.9879 -3.6188 -3.6188 -3.5154 -3.5154 -3.4760 -3.4760 -2.6950 -2.6950 -2.5146 -2.5146 5.3297 5.3297 5.3407 5.3407 5.6718 5.6718 5.6861 5.6861 5.9929 5.9929 6.0068 6.0068 11.0849 11.0849 11.0938 11.0938 11.6412 11.6412 11.6468 11.6468 12.1984 12.1986 k = 0.3333 0.5774 0.3899 ( 4794 PWs) bands (ev): -20.6416 -20.6416 -20.6416 -20.6416 -19.5893 -19.5893 -19.5892 -19.5892 -5.7181 -5.7181 -5.4782 -5.4782 -5.4495 -5.4495 -5.1407 -5.1407 -4.7144 -4.7144 -4.4916 -4.4916 -4.2166 -4.2166 -4.0849 -4.0849 -3.9880 -3.9880 -3.6145 -3.6145 -3.5192 -3.5192 -3.4765 -3.4765 -2.6948 -2.6948 -2.5141 -2.5141 5.3307 5.3307 5.3418 5.3418 5.6714 5.6714 5.6856 5.6856 5.9926 5.9926 6.0067 6.0067 11.0839 11.0839 11.0928 11.0928 11.6424 11.6424 11.6481 11.6481 12.2049 12.2049 k = 0.3333 0.5774 0.3899 ( 4794 PWs) bands (ev): -20.6416 -20.6416 -20.6416 -20.6416 -19.5893 -19.5893 -19.5892 -19.5892 -5.7181 -5.7181 -5.4782 -5.4782 -5.4495 -5.4495 -5.1407 -5.1407 -4.7144 -4.7144 -4.4916 -4.4916 -4.2166 -4.2166 -4.0849 -4.0849 -3.9880 -3.9880 -3.6145 -3.6145 -3.5192 -3.5192 -3.4765 -3.4765 -2.6948 -2.6948 -2.5141 -2.5141 5.3307 5.3307 5.3418 5.3418 5.6714 5.6714 5.6856 5.6856 5.9926 5.9926 6.0067 6.0067 11.0839 11.0839 11.0928 11.0928 11.6424 11.6424 11.6481 11.6481 12.2049 12.2049 k = 0.3250 0.5629 0.3899 ( 4802 PWs) bands (ev): -20.6416 -20.6416 -20.6416 -20.6416 -19.5892 -19.5892 -19.5892 -19.5892 -5.7176 -5.7176 -5.4795 -5.4795 -5.4476 -5.4476 -5.1406 -5.1406 -4.7146 -4.7146 -4.4924 -4.4924 -4.2164 -4.2164 -4.0847 -4.0847 -3.9879 -3.9879 -3.6188 -3.6188 -3.5154 -3.5154 -3.4760 -3.4760 -2.6950 -2.6950 -2.5146 -2.5146 5.3297 5.3297 5.3407 5.3407 5.6718 5.6718 5.6860 5.6860 5.9929 5.9929 6.0068 6.0068 11.0850 11.0850 11.0939 11.0939 11.6409 11.6409 11.6465 11.6465 12.1983 12.1984 k = 0.3167 0.5485 0.3899 ( 4808 PWs) bands (ev): -20.6417 -20.6417 -20.6417 -20.6417 -19.5892 -19.5892 -19.5892 -19.5892 -5.7163 -5.7163 -5.4825 -5.4825 -5.4426 -5.4426 -5.1404 -5.1404 -4.7150 -4.7150 -4.4946 -4.4946 -4.2161 -4.2161 -4.0844 -4.0844 -3.9876 -3.9876 -3.6300 -3.6300 -3.5056 -3.5056 -3.4746 -3.4746 -2.6957 -2.6957 -2.5163 -2.5163 5.3264 5.3264 5.3374 5.3374 5.6728 5.6728 5.6874 5.6874 5.9939 5.9939 6.0072 6.0072 11.0886 11.0886 11.0975 11.0975 11.6358 11.6358 11.6413 11.6413 12.1825 12.1826 k = 0.3083 0.5340 0.3899 ( 4810 PWs) bands (ev): -20.6417 -20.6417 -20.6417 -20.6417 -19.5891 -19.5891 -19.5891 -19.5891 -5.7139 -5.7139 -5.4860 -5.4860 -5.4357 -5.4357 -5.1401 -5.1401 -4.7157 -4.7157 -4.4980 -4.4980 -4.2158 -4.2158 -4.0838 -4.0838 -3.9871 -3.9871 -3.6453 -3.6453 -3.4927 -3.4927 -3.4724 -3.4724 -2.6968 -2.6968 -2.5190 -2.5190 5.3211 5.3211 5.3319 5.3319 5.6745 5.6745 5.6897 5.6897 5.9954 5.9954 6.0077 6.0077 11.0948 11.0948 11.1036 11.1036 11.6268 11.6268 11.6321 11.6321 12.1620 12.1622 k = 0.3000 0.5196 0.3899 ( 4810 PWs) bands (ev): -20.6418 -20.6418 -20.6418 -20.6418 -19.5891 -19.5891 -19.5890 -19.5890 -5.7107 -5.7107 -5.4895 -5.4895 -5.4275 -5.4275 -5.1395 -5.1395 -4.7166 -4.7166 -4.5024 -4.5024 -4.2158 -4.2158 -4.0831 -4.0831 -3.9864 -3.9864 -3.6627 -3.6627 -3.4786 -3.4786 -3.4694 -3.4694 -2.6985 -2.6985 -2.5229 -2.5229 5.3138 5.3138 5.3245 5.3245 5.6768 5.6768 5.6928 5.6928 5.9972 5.9972 6.0082 6.0082 11.1038 11.1038 11.1123 11.1123 11.6136 11.6136 11.6188 11.6188 12.1387 12.1387 k = 0.2917 0.5052 0.3899 ( 4802 PWs) bands (ev): -20.6420 -20.6420 -20.6420 -20.6420 -19.5889 -19.5889 -19.5889 -19.5889 -5.7066 -5.7066 -5.4927 -5.4927 -5.4181 -5.4181 -5.1386 -5.1386 -4.7177 -4.7177 -4.5074 -4.5074 -4.2163 -4.2163 -4.0824 -4.0824 -3.9855 -3.9855 -3.6812 -3.6812 -3.4657 -3.4657 -3.4643 -3.4643 -2.7008 -2.7008 -2.5279 -2.5279 5.3048 5.3048 5.3152 5.3152 5.6797 5.6797 5.6967 5.6967 5.9992 5.9992 6.0086 6.0086 11.1155 11.1155 11.1237 11.1237 11.5966 11.5966 11.6015 11.6015 12.1130 12.1130 k = 0.2833 0.4907 0.3899 ( 4806 PWs) bands (ev): -20.6422 -20.6422 -20.6421 -20.6421 -19.5888 -19.5888 -19.5888 -19.5888 -5.7016 -5.7016 -5.4956 -5.4956 -5.4076 -5.4076 -5.1374 -5.1374 -4.7189 -4.7189 -4.5129 -4.5129 -4.2175 -4.2175 -4.0817 -4.0817 -3.9841 -3.9841 -3.7002 -3.7002 -3.4615 -3.4615 -3.4504 -3.4504 -2.7038 -2.7038 -2.5342 -2.5342 5.2942 5.2942 5.3043 5.3043 5.6831 5.6831 5.7013 5.7013 6.0012 6.0012 6.0087 6.0087 11.1298 11.1298 11.1376 11.1376 11.5761 11.5761 11.5808 11.5808 12.0856 12.0856 k = 0.2750 0.4763 0.3899 ( 4802 PWs) bands (ev): -20.6424 -20.6424 -20.6424 -20.6424 -19.5886 -19.5886 -19.5886 -19.5886 -5.6957 -5.6957 -5.4982 -5.4982 -5.3959 -5.3959 -5.1358 -5.1358 -4.7202 -4.7202 -4.5187 -4.5187 -4.2196 -4.2196 -4.0812 -4.0812 -3.9823 -3.9823 -3.7192 -3.7192 -3.4568 -3.4568 -3.4372 -3.4372 -2.7075 -2.7075 -2.5416 -2.5416 5.2823 5.2823 5.2921 5.2921 5.6871 5.6871 5.7064 5.7064 6.0028 6.0028 6.0082 6.0082 11.1464 11.1464 11.1537 11.1537 11.5528 11.5528 11.5572 11.5572 12.0571 12.0571 k = 0.2667 0.4619 0.3899 ( 4792 PWs) bands (ev): -20.6426 -20.6426 -20.6426 -20.6426 -19.5884 -19.5884 -19.5884 -19.5884 -5.6890 -5.6890 -5.5004 -5.5004 -5.3831 -5.3831 -5.1338 -5.1338 -4.7215 -4.7215 -4.5246 -4.5246 -4.2226 -4.2226 -4.0811 -4.0811 -3.9801 -3.9801 -3.7379 -3.7379 -3.4519 -3.4519 -3.4249 -3.4249 -2.7119 -2.7119 -2.5503 -2.5503 5.2695 5.2695 5.2789 5.2789 5.6916 5.6916 5.7121 5.7121 6.0039 6.0039 6.0070 6.0070 11.1650 11.1650 11.1716 11.1716 11.5276 11.5276 11.5317 11.5317 12.0283 12.0283 k = 0.2583 0.4474 0.3899 ( 4788 PWs) bands (ev): -20.6429 -20.6429 -20.6429 -20.6429 -19.5882 -19.5882 -19.5882 -19.5882 -5.6816 -5.6816 -5.5024 -5.5024 -5.3691 -5.3691 -5.1312 -5.1312 -4.7227 -4.7227 -4.5306 -4.5306 -4.2266 -4.2266 -4.0814 -4.0814 -3.9773 -3.9773 -3.7562 -3.7562 -3.4469 -3.4469 -3.4136 -3.4136 -2.7172 -2.7172 -2.5601 -2.5601 5.2560 5.2560 5.2650 5.2650 5.6963 5.6963 5.7181 5.7181 6.0043 6.0043 6.0049 6.0049 11.1848 11.1848 11.1905 11.1905 11.5015 11.5015 11.5053 11.5053 11.9998 11.9998 k = 0.2500 0.4330 0.3899 ( 4788 PWs) bands (ev): -20.6432 -20.6432 -20.6432 -20.6432 -19.5879 -19.5879 -19.5879 -19.5879 -5.6736 -5.6736 -5.5041 -5.5041 -5.3538 -5.3538 -5.1280 -5.1280 -4.7239 -4.7239 -4.5366 -4.5366 -4.2316 -4.2316 -4.0824 -4.0824 -3.9740 -3.9740 -3.7737 -3.7737 -3.4418 -3.4418 -3.4034 -3.4034 -2.7232 -2.7232 -2.5712 -2.5712 5.2422 5.2422 5.2507 5.2507 5.7011 5.7011 5.7243 5.7243 6.0019 6.0019 6.0038 6.0038 11.2047 11.2047 11.2095 11.2095 11.4758 11.4758 11.4791 11.4791 11.9723 11.9723 k = 0.2417 0.4186 0.3899 ( 4788 PWs) bands (ev): -20.6436 -20.6436 -20.6435 -20.6435 -19.5876 -19.5876 -19.5876 -19.5876 -5.6649 -5.6649 -5.5055 -5.5055 -5.3372 -5.3372 -5.1241 -5.1241 -4.7250 -4.7250 -4.5424 -4.5424 -4.2375 -4.2375 -4.0842 -4.0842 -3.9702 -3.9702 -3.7903 -3.7903 -3.4368 -3.4368 -3.3944 -3.3944 -2.7301 -2.7301 -2.5835 -2.5835 5.2284 5.2284 5.2365 5.2365 5.7059 5.7059 5.7304 5.7304 5.9978 5.9978 6.0024 6.0024 11.2229 11.2229 11.2268 11.2268 11.4524 11.4524 11.4548 11.4548 11.9462 11.9462 k = 0.2333 0.4041 0.3899 ( 4788 PWs) bands (ev): -20.6439 -20.6439 -20.6439 -20.6439 -19.5873 -19.5873 -19.5873 -19.5873 -5.6558 -5.6558 -5.5068 -5.5068 -5.3194 -5.3194 -5.1195 -5.1195 -4.7260 -4.7260 -4.5480 -4.5480 -4.2442 -4.2442 -4.0871 -4.0871 -3.9659 -3.9659 -3.8057 -3.8057 -3.4321 -3.4321 -3.3865 -3.3865 -2.7379 -2.7379 -2.5971 -2.5971 5.2149 5.2149 5.2225 5.2225 5.7105 5.7105 5.7364 5.7364 5.9925 5.9925 5.9999 5.9999 11.2368 11.2368 11.2400 11.2400 11.4338 11.4338 11.4346 11.4346 11.9217 11.9217 k = 0.2250 0.3897 0.3899 ( 4796 PWs) bands (ev): -20.6444 -20.6444 -20.6443 -20.6443 -19.5869 -19.5869 -19.5869 -19.5869 -5.6462 -5.6462 -5.5078 -5.5078 -5.3002 -5.3002 -5.1140 -5.1140 -4.7268 -4.7268 -4.5533 -4.5533 -4.2516 -4.2516 -4.0911 -4.0911 -3.9614 -3.9614 -3.8199 -3.8199 -3.4276 -3.4276 -3.3799 -3.3799 -2.7466 -2.7466 -2.6118 -2.6118 5.2020 5.2020 5.2092 5.2092 5.7145 5.7145 5.7419 5.7419 5.9862 5.9862 5.9963 5.9963 11.2430 11.2430 11.2463 11.2463 11.4213 11.4213 11.4230 11.4230 11.8992 11.8992 k = 0.2167 0.3753 0.3899 ( 4792 PWs) bands (ev): -20.6448 -20.6448 -20.6448 -20.6448 -19.5865 -19.5865 -19.5865 -19.5865 -5.6363 -5.6363 -5.5087 -5.5087 -5.2799 -5.2799 -5.1076 -5.1076 -4.7274 -4.7274 -4.5584 -4.5584 -4.2596 -4.2596 -4.0965 -4.0965 -3.9565 -3.9565 -3.8327 -3.8327 -3.4235 -3.4235 -3.3743 -3.3743 -2.7562 -2.7562 -2.6277 -2.6277 5.1900 5.1900 5.1968 5.1968 5.7179 5.7179 5.7467 5.7467 5.9790 5.9790 5.9917 5.9917 11.2396 11.2396 11.2433 11.2433 11.4164 11.4164 11.4217 11.4217 11.8784 11.8784 k = 0.2083 0.3608 0.3899 ( 4784 PWs) bands (ev): -20.6453 -20.6453 -20.6453 -20.6453 -19.5861 -19.5861 -19.5861 -19.5861 -5.6263 -5.6263 -5.5094 -5.5094 -5.2583 -5.2583 -5.1001 -5.1001 -4.7278 -4.7278 -4.5632 -4.5632 -4.2681 -4.2681 -4.1032 -4.1032 -3.9515 -3.9515 -3.8439 -3.8439 -3.4197 -3.4197 -3.3700 -3.3700 -2.7666 -2.7666 -2.6448 -2.6448 5.1791 5.1791 5.1855 5.1855 5.7203 5.7203 5.7505 5.7505 5.9708 5.9708 5.9861 5.9861 11.2274 11.2274 11.2319 11.2319 11.4190 11.4190 11.4284 11.4284 11.8592 11.8592 k = 0.2000 0.3464 0.3899 ( 4788 PWs) bands (ev): -20.6458 -20.6458 -20.6458 -20.6458 -19.5857 -19.5857 -19.5857 -19.5857 -5.6161 -5.6161 -5.5099 -5.5099 -5.2355 -5.2355 -5.0917 -5.0917 -4.7279 -4.7279 -4.5676 -4.5676 -4.2768 -4.2768 -4.1113 -4.1113 -3.9465 -3.9465 -3.8537 -3.8537 -3.4165 -3.4165 -3.3667 -3.3667 -2.7780 -2.7780 -2.6629 -2.6629 5.1696 5.1696 5.1756 5.1756 5.7216 5.7216 5.7531 5.7531 5.9619 5.9619 5.9797 5.9797 11.2096 11.2096 11.2147 11.2147 11.4258 11.4258 11.4392 11.4392 11.8409 11.8409 k = 0.1917 0.3320 0.3899 ( 4782 PWs) bands (ev): -20.6463 -20.6463 -20.6463 -20.6463 -19.5853 -19.5853 -19.5853 -19.5853 -5.6060 -5.6060 -5.5103 -5.5103 -5.2116 -5.2116 -5.0821 -5.0821 -4.7278 -4.7278 -4.5717 -4.5717 -4.2856 -4.2856 -4.1208 -4.1208 -3.9415 -3.9415 -3.8621 -3.8621 -3.4137 -3.4137 -3.3645 -3.3645 -2.7903 -2.7903 -2.6822 -2.6822 5.1616 5.1616 5.1674 5.1674 5.7216 5.7216 5.7541 5.7541 5.9524 5.9524 5.9724 5.9724 11.1893 11.1893 11.1946 11.1946 11.4336 11.4336 11.4510 11.4510 11.8227 11.8227 k = 0.1833 0.3175 0.3899 ( 4782 PWs) bands (ev): -20.6468 -20.6468 -20.6468 -20.6468 -19.5848 -19.5848 -19.5848 -19.5848 -5.5961 -5.5961 -5.5105 -5.5105 -5.1867 -5.1867 -5.0713 -5.0713 -4.7272 -4.7272 -4.5755 -4.5755 -4.2944 -4.2944 -4.1315 -4.1315 -3.9366 -3.9366 -3.8691 -3.8691 -3.4114 -3.4114 -3.3634 -3.3634 -2.8035 -2.8035 -2.7024 -2.7024 5.1554 5.1554 5.1608 5.1608 5.7201 5.7201 5.7535 5.7535 5.9425 5.9425 5.9644 5.9644 11.1682 11.1682 11.1737 11.1737 11.4405 11.4405 11.4615 11.4615 11.8035 11.8035 k = 0.1750 0.3031 0.3899 ( 4782 PWs) bands (ev): -20.6474 -20.6474 -20.6474 -20.6474 -19.5843 -19.5843 -19.5843 -19.5843 -5.5863 -5.5863 -5.5105 -5.5105 -5.1609 -5.1609 -5.0594 -5.0594 -4.7263 -4.7263 -4.5790 -4.5790 -4.3031 -4.3031 -4.1433 -4.1433 -3.9320 -3.9320 -3.8750 -3.8750 -3.4096 -3.4096 -3.3632 -3.3632 -2.8174 -2.8174 -2.7235 -2.7235 5.1510 5.1510 5.1562 5.1562 5.7170 5.7170 5.7509 5.7509 5.9324 5.9324 5.9558 5.9558 11.1476 11.1476 11.1531 11.1531 11.4454 11.4454 11.4696 11.4696 11.7824 11.7824 k = 0.1667 0.2887 0.3899 ( 4778 PWs) bands (ev): -20.6480 -20.6480 -20.6480 -20.6480 -19.5838 -19.5838 -19.5838 -19.5838 -5.5769 -5.5769 -5.5104 -5.5104 -5.1343 -5.1343 -5.0464 -5.0464 -4.7250 -4.7250 -4.5821 -4.5821 -4.3115 -4.3115 -4.1560 -4.1560 -3.9277 -3.9277 -3.8800 -3.8800 -3.4083 -3.4083 -3.3640 -3.3640 -2.8321 -2.8321 -2.7454 -2.7454 5.1486 5.1486 5.1537 5.1537 5.7124 5.7124 5.7463 5.7463 5.9221 5.9221 5.9464 5.9464 11.1280 11.1280 11.1335 11.1335 11.4482 11.4482 11.4749 11.4749 11.7583 11.7583 k = 0.1583 0.2742 0.3899 ( 4770 PWs) bands (ev): -20.6485 -20.6485 -20.6485 -20.6485 -19.5833 -19.5833 -19.5833 -19.5833 -5.5679 -5.5679 -5.5101 -5.5101 -5.1071 -5.1071 -5.0322 -5.0322 -4.7232 -4.7232 -4.5849 -4.5849 -4.3196 -4.3196 -4.1694 -4.1694 -3.9238 -3.9238 -3.8841 -3.8841 -3.4076 -3.4076 -3.3656 -3.3656 -2.8473 -2.8473 -2.7680 -2.7680 5.1484 5.1484 5.1533 5.1533 5.7062 5.7062 5.7397 5.7397 5.9116 5.9116 5.9363 5.9363 11.1098 11.1098 11.1151 11.1151 11.4488 11.4488 11.4774 11.4774 11.7310 11.7310 k = 0.1500 0.2598 0.3899 ( 4774 PWs) bands (ev): -20.6491 -20.6491 -20.6491 -20.6491 -19.5829 -19.5829 -19.5828 -19.5828 -5.5594 -5.5594 -5.5097 -5.5097 -5.0794 -5.0794 -5.0170 -5.0170 -4.7209 -4.7209 -4.5873 -4.5873 -4.3272 -4.3272 -4.1834 -4.1834 -3.9203 -3.9203 -3.8876 -3.8876 -3.4075 -3.4075 -3.3682 -3.3682 -2.8632 -2.8632 -2.7911 -2.7911 5.1503 5.1503 5.1550 5.1550 5.6987 5.6987 5.7313 5.7313 5.9009 5.9009 5.9255 5.9255 11.0931 11.0931 11.0982 11.0982 11.4475 11.4475 11.4774 11.4774 11.7004 11.7004 k = 0.1417 0.2454 0.3899 ( 4770 PWs) bands (ev): -20.6497 -20.6497 -20.6497 -20.6497 -19.5824 -19.5824 -19.5824 -19.5824 -5.5514 -5.5514 -5.5091 -5.5091 -5.0515 -5.0515 -5.0009 -5.0009 -4.7179 -4.7179 -4.5895 -4.5895 -4.3342 -4.3342 -4.1977 -4.1977 -3.9172 -3.9172 -3.8906 -3.8906 -3.4080 -3.4080 -3.3717 -3.3717 -2.8794 -2.8794 -2.8146 -2.8146 5.1544 5.1544 5.1590 5.1590 5.6898 5.6898 5.7212 5.7212 5.8898 5.8898 5.9138 5.9138 11.0779 11.0779 11.0828 11.0828 11.4444 11.4444 11.4752 11.4752 11.6672 11.6672 k = 0.1333 0.2309 0.3899 ( 4772 PWs) bands (ev): -20.6503 -20.6503 -20.6503 -20.6503 -19.5819 -19.5819 -19.5819 -19.5819 -5.5439 -5.5439 -5.5084 -5.5084 -5.0235 -5.0235 -4.9840 -4.9840 -4.7143 -4.7143 -4.5914 -4.5914 -4.3405 -4.3405 -4.2123 -4.2123 -3.9145 -3.9145 -3.8932 -3.8932 -3.4091 -3.4091 -3.3761 -3.3761 -2.8959 -2.8959 -2.8382 -2.8382 5.1608 5.1608 5.1653 5.1653 5.6800 5.6800 5.7097 5.7097 5.8782 5.8782 5.9011 5.9011 11.0641 11.0641 11.0686 11.0686 11.4399 11.4399 11.4711 11.4711 11.6322 11.6322 k = 0.1250 0.2165 0.3899 ( 4776 PWs) bands (ev): -20.6509 -20.6509 -20.6509 -20.6509 -19.5814 -19.5814 -19.5814 -19.5814 -5.5370 -5.5370 -5.5076 -5.5076 -4.9958 -4.9958 -4.9665 -4.9665 -4.7098 -4.7098 -4.5930 -4.5930 -4.3462 -4.3462 -4.2270 -4.2270 -3.9123 -3.9123 -3.8955 -3.8955 -3.4109 -3.4109 -3.3813 -3.3813 -2.9124 -2.9124 -2.8618 -2.8618 5.1694 5.1694 5.1738 5.1738 5.6693 5.6693 5.6972 5.6972 5.8657 5.8657 5.8874 5.8874 11.0516 11.0516 11.0557 11.0557 11.4342 11.4342 11.4654 11.4654 11.5965 11.5965 k = 0.1167 0.2021 0.3899 ( 4776 PWs) bands (ev): -20.6514 -20.6514 -20.6514 -20.6514 -19.5809 -19.5809 -19.5809 -19.5809 -5.5307 -5.5307 -5.5067 -5.5067 -4.9687 -4.9687 -4.9485 -4.9485 -4.7043 -4.7043 -4.5942 -4.5942 -4.3511 -4.3511 -4.2417 -4.2417 -3.9105 -3.9105 -3.8975 -3.8975 -3.4134 -3.4134 -3.3874 -3.3874 -2.9288 -2.9288 -2.8851 -2.8851 5.1803 5.1803 5.1846 5.1846 5.6580 5.6580 5.6839 5.6839 5.8522 5.8522 5.8724 5.8724 11.0400 11.0400 11.0436 11.0436 11.4275 11.4275 11.4583 11.4583 11.5612 11.5612 k = 0.1083 0.1876 0.3899 ( 4782 PWs) bands (ev): -20.6520 -20.6520 -20.6520 -20.6520 -19.5804 -19.5804 -19.5804 -19.5804 -5.5250 -5.5250 -5.5057 -5.5057 -4.9426 -4.9426 -4.9304 -4.9304 -4.6977 -4.6977 -4.5952 -4.5952 -4.3552 -4.3552 -4.2562 -4.2562 -3.9091 -3.9091 -3.8992 -3.8992 -3.4168 -3.4168 -3.3943 -3.3943 -2.9449 -2.9449 -2.9078 -2.9078 5.1933 5.1933 5.1975 5.1975 5.6464 5.6464 5.6702 5.6702 5.8376 5.8376 5.8561 5.8561 11.0291 11.0291 11.0322 11.0322 11.4199 11.4199 11.4499 11.4499 11.5274 11.5274 k = 0.1000 0.1732 0.3899 ( 4782 PWs) bands (ev): -20.6525 -20.6525 -20.6525 -20.6525 -19.5800 -19.5800 -19.5800 -19.5800 -5.5198 -5.5198 -5.5046 -5.5046 -4.9179 -4.9179 -4.9122 -4.9122 -4.6897 -4.6897 -4.5958 -4.5958 -4.3587 -4.3587 -4.2706 -4.2706 -3.9080 -3.9080 -3.9006 -3.9006 -3.4210 -3.4210 -3.4021 -3.4021 -2.9605 -2.9605 -2.9296 -2.9296 5.2084 5.2084 5.2125 5.2125 5.6347 5.6347 5.6565 5.6565 5.8216 5.8216 5.8384 5.8384 11.0186 11.0186 11.0211 11.0211 11.4117 11.4117 11.4404 11.4404 11.4963 11.4963 k = 0.0917 0.1588 0.3899 ( 4778 PWs) bands (ev): -20.6530 -20.6530 -20.6530 -20.6530 -19.5796 -19.5796 -19.5796 -19.5796 -5.5152 -5.5152 -5.5035 -5.5035 -4.8949 -4.8949 -4.8944 -4.8944 -4.6804 -4.6804 -4.5960 -4.5960 -4.3614 -4.3614 -4.2847 -4.2847 -3.9071 -3.9071 -3.9018 -3.9018 -3.4261 -3.4261 -3.4106 -3.4106 -2.9755 -2.9755 -2.9504 -2.9504 5.2255 5.2255 5.2294 5.2294 5.6232 5.6232 5.6428 5.6428 5.8042 5.8042 5.8193 5.8193 11.0081 11.0081 11.0101 11.0101 11.4030 11.4030 11.4296 11.4296 11.4690 11.4690 k = 0.0833 0.1443 0.3899 ( 4782 PWs) bands (ev): -20.6534 -20.6534 -20.6534 -20.6534 -19.5792 -19.5792 -19.5792 -19.5792 -5.5111 -5.5111 -5.5023 -5.5023 -4.8772 -4.8772 -4.8741 -4.8741 -4.6696 -4.6696 -4.5957 -4.5957 -4.3635 -4.3635 -4.2983 -4.2983 -3.9064 -3.9064 -3.9027 -3.9027 -3.4321 -3.4321 -3.4198 -3.4198 -2.9895 -2.9895 -2.9698 -2.9698 5.2446 5.2446 5.2483 5.2483 5.6120 5.6120 5.6295 5.6295 5.7855 5.7855 5.7988 5.7988 10.9975 10.9975 10.9990 10.9990 11.3940 11.3940 11.4169 11.4169 11.4466 11.4466 k = 0.0750 0.1299 0.3899 ( 4774 PWs) bands (ev): -20.6539 -20.6539 -20.6539 -20.6539 -19.5788 -19.5788 -19.5788 -19.5788 -5.5076 -5.5076 -5.5011 -5.5011 -4.8608 -4.8608 -4.8558 -4.8558 -4.6574 -4.6574 -4.5949 -4.5949 -4.3652 -4.3652 -4.3115 -4.3115 -3.9058 -3.9058 -3.9033 -3.9033 -3.4389 -3.4389 -3.4296 -3.4296 -3.0026 -3.0026 -2.9876 -2.9876 5.2653 5.2653 5.2688 5.2688 5.6013 5.6013 5.6168 5.6168 5.7653 5.7653 5.7770 5.7770 10.9867 10.9867 10.9877 10.9877 11.3849 11.3849 11.4025 11.4025 11.4297 11.4297 k = 0.0667 0.1155 0.3899 ( 4774 PWs) bands (ev): -20.6543 -20.6543 -20.6543 -20.6543 -19.5785 -19.5785 -19.5785 -19.5785 -5.5045 -5.5045 -5.5000 -5.5000 -4.8456 -4.8456 -4.8400 -4.8400 -4.6441 -4.6441 -4.5936 -4.5936 -4.3665 -4.3665 -4.3239 -4.3239 -3.9052 -3.9052 -3.9036 -3.9036 -3.4464 -3.4464 -3.4396 -3.4396 -3.0145 -3.0145 -3.0035 -3.0035 5.2877 5.2877 5.2909 5.2909 5.5913 5.5913 5.6048 5.6048 5.7439 5.7439 5.7540 5.7540 10.9758 10.9758 10.9765 10.9765 11.3759 11.3759 11.3878 11.3878 11.4169 11.4169 k = 0.0583 0.1010 0.3899 ( 4778 PWs) bands (ev): -20.6546 -20.6546 -20.6546 -20.6546 -19.5782 -19.5782 -19.5782 -19.5782 -5.5019 -5.5019 -5.4989 -5.4989 -4.8319 -4.8319 -4.8267 -4.8267 -4.6302 -4.6302 -4.5915 -4.5915 -4.3676 -4.3676 -4.3356 -4.3356 -3.9045 -3.9045 -3.9036 -3.9036 -3.4544 -3.4544 -3.4497 -3.4497 -3.0251 -3.0251 -3.0176 -3.0176 5.3115 5.3115 5.3144 5.3144 5.5820 5.5820 5.5936 5.5936 5.7214 5.7214 5.7299 5.7299 10.9649 10.9649 10.9653 10.9653 11.3675 11.3675 11.3747 11.3747 11.4066 11.4066 k = 0.0500 0.0866 0.3899 ( 4774 PWs) bands (ev): -20.6549 -20.6549 -20.6549 -20.6549 -19.5779 -19.5779 -19.5779 -19.5779 -5.4997 -5.4997 -5.4978 -5.4978 -4.8198 -4.8198 -4.8157 -4.8157 -4.6164 -4.6164 -4.5889 -4.5889 -4.3687 -4.3687 -4.3461 -4.3461 -3.9039 -3.9039 -3.9033 -3.9033 -3.4626 -3.4626 -3.4596 -3.4596 -3.0345 -3.0345 -3.0296 -3.0296 5.3365 5.3365 5.3390 5.3390 5.5737 5.5737 5.5832 5.5832 5.6980 5.6980 5.7050 5.7050 10.9544 10.9544 10.9547 10.9547 11.3599 11.3599 11.3638 11.3638 11.3979 11.3979 k = 0.0417 0.0722 0.3899 ( 4768 PWs) bands (ev): -20.6552 -20.6552 -20.6552 -20.6552 -19.5777 -19.5777 -19.5777 -19.5777 -5.4979 -5.4979 -5.4968 -5.4968 -4.8096 -4.8096 -4.8067 -4.8067 -4.6034 -4.6034 -4.5856 -4.5856 -4.3698 -4.3698 -4.3553 -4.3553 -3.9032 -3.9032 -3.9029 -3.9029 -3.4706 -3.4706 -3.4688 -3.4688 -3.0424 -3.0424 -3.0396 -3.0396 5.3623 5.3623 5.3644 5.3644 5.5661 5.5661 5.5737 5.5737 5.6742 5.6742 5.6796 5.6796 10.9447 10.9447 10.9448 10.9448 11.3534 11.3534 11.3553 11.3553 11.3906 11.3906 k = 0.0333 0.0577 0.3899 ( 4764 PWs) bands (ev): -20.6554 -20.6554 -20.6554 -20.6554 -19.5775 -19.5775 -19.5775 -19.5775 -5.4966 -5.4966 -5.4960 -5.4960 -4.8013 -4.8013 -4.7997 -4.7997 -4.5920 -4.5920 -4.5820 -4.5820 -4.3711 -4.3711 -4.3630 -4.3630 -3.9024 -3.9024 -3.9023 -3.9023 -3.4780 -3.4780 -3.4771 -3.4771 -3.0490 -3.0490 -3.0475 -3.0475 5.3886 5.3886 5.3903 5.3903 5.5592 5.5592 5.5648 5.5648 5.6505 5.6505 5.6544 5.6544 10.9361 10.9361 10.9362 10.9362 11.3479 11.3479 11.3488 11.3488 11.3846 11.3846 k = 0.0250 0.0433 0.3899 ( 4772 PWs) bands (ev): -20.6556 -20.6556 -20.6556 -20.6556 -19.5773 -19.5773 -19.5773 -19.5773 -5.4955 -5.4955 -5.4953 -5.4953 -4.7951 -4.7951 -4.7943 -4.7943 -4.5828 -4.5828 -4.5782 -4.5782 -4.3726 -4.3726 -4.3688 -4.3688 -3.9018 -3.9018 -3.9017 -3.9017 -3.4844 -3.4844 -3.4840 -3.4840 -3.0542 -3.0542 -3.0536 -3.0536 5.4149 5.4149 5.4160 5.4160 5.5524 5.5524 5.5560 5.5560 5.6281 5.6281 5.6306 5.6306 10.9291 10.9291 10.9291 10.9291 11.3437 11.3437 11.3440 11.3440 11.3800 11.3800 k = 0.0167 0.0289 0.3899 ( 4780 PWs) bands (ev): -20.6557 -20.6557 -20.6557 -20.6557 -19.5772 -19.5772 -19.5772 -19.5772 -5.4948 -5.4948 -5.4947 -5.4947 -4.7907 -4.7907 -4.7904 -4.7904 -4.5763 -4.5763 -4.5748 -4.5748 -4.3740 -4.3740 -4.3728 -4.3728 -3.9012 -3.9012 -3.9012 -3.9012 -3.4893 -3.4893 -3.4892 -3.4892 -3.0580 -3.0580 -3.0578 -3.0578 5.4399 5.4399 5.4404 5.4404 5.5447 5.5447 5.5464 5.5464 5.6092 5.6092 5.6103 5.6103 10.9238 10.9238 10.9238 10.9238 11.3407 11.3407 11.3408 11.3408 11.3767 11.3767 k = 0.0083 0.0144 0.3899 ( 4794 PWs) bands (ev): -20.6558 -20.6558 -20.6558 -20.6558 -19.5771 -19.5771 -19.5771 -19.5771 -5.4944 -5.4944 -5.4944 -5.4944 -4.7882 -4.7882 -4.7881 -4.7881 -4.5725 -4.5725 -4.5723 -4.5723 -4.3751 -4.3751 -4.3750 -4.3750 -3.9008 -3.9008 -3.9008 -3.9008 -3.4924 -3.4924 -3.4924 -3.4924 -3.0602 -3.0602 -3.0602 -3.0602 5.4609 5.4609 5.4610 5.4610 5.5357 5.5357 5.5360 5.5360 5.5964 5.5964 5.5966 5.5966 10.9205 10.9205 10.9205 10.9205 11.3389 11.3389 11.3389 11.3389 11.3748 11.3748 k = 0.0000 0.0000 0.3899 ( 4802 PWs) bands (ev): -20.6559 -20.6559 -20.6559 -20.6559 -19.5771 -19.5771 -19.5771 -19.5771 -5.4943 -5.4943 -5.4943 -5.4943 -4.7873 -4.7873 -4.7873 -4.7873 -4.5714 -4.5714 -4.5714 -4.5714 -4.3756 -4.3756 -4.3756 -4.3756 -3.9007 -3.9007 -3.9007 -3.9007 -3.4935 -3.4935 -3.4935 -3.4935 -3.0610 -3.0610 -3.0610 -3.0610 5.4703 5.4703 5.4703 5.4703 5.5303 5.5303 5.5303 5.5303 5.5920 5.5920 5.5920 5.5920 10.9194 10.9194 10.9194 10.9194 11.3383 11.3383 11.3383 11.3383 11.3741 11.3741 k = 0.5000 0.2887 0.3899 ( 4812 PWs) bands (ev): -20.6432 -20.6432 -20.6432 -20.6432 -19.5879 -19.5879 -19.5879 -19.5879 -5.5986 -5.5986 -5.5986 -5.5986 -5.1966 -5.1966 -5.1966 -5.1966 -4.7252 -4.7252 -4.7252 -4.7252 -4.1130 -4.1130 -4.1130 -4.1130 -3.8954 -3.8954 -3.8954 -3.8954 -3.3786 -3.3786 -3.3786 -3.3786 -2.6497 -2.6497 -2.6497 -2.6497 5.1854 5.1854 5.1854 5.1854 5.8211 5.8211 5.8211 5.8211 5.9518 5.9518 5.9518 5.9518 11.1438 11.1438 11.1438 11.1438 11.6751 11.6751 11.6751 11.6751 11.8925 11.8925 k = 0.5000 0.2887 0.3737 ( 4820 PWs) bands (ev): -20.6484 -20.6484 -20.6380 -20.6380 -19.5883 -19.5883 -19.5875 -19.5875 -5.6150 -5.6150 -5.5838 -5.5838 -5.2077 -5.2077 -5.1845 -5.1845 -4.7388 -4.7388 -4.7098 -4.7098 -4.1252 -4.1252 -4.1013 -4.1013 -3.9043 -3.9043 -3.8863 -3.8863 -3.3849 -3.3849 -3.3724 -3.3724 -2.6528 -2.6528 -2.6473 -2.6473 5.1786 5.1786 5.1945 5.1945 5.8140 5.8140 5.8291 5.8291 5.9471 5.9471 5.9567 5.9567 11.0641 11.0641 11.2165 11.2165 11.6159 11.6159 11.7370 11.7370 11.8540 11.8540 k = 0.5000 0.2887 0.3574 ( 4812 PWs) bands (ev): -20.6535 -20.6535 -20.6328 -20.6328 -19.5887 -19.5887 -19.5872 -19.5872 -5.6329 -5.6329 -5.5707 -5.5707 -5.2175 -5.2175 -5.1715 -5.1715 -4.7506 -4.7506 -4.6930 -4.6930 -4.1378 -4.1378 -4.0900 -4.0900 -3.9131 -3.9131 -3.8772 -3.8772 -3.3915 -3.3915 -3.3663 -3.3663 -2.6568 -2.6568 -2.6458 -2.6458 5.1737 5.1737 5.2059 5.2059 5.8080 5.8080 5.8377 5.8377 5.9425 5.9425 5.9616 5.9616 10.9803 10.9803 11.2776 11.2776 11.5597 11.5597 11.8011 11.8011 11.8254 11.8254 k = 0.5000 0.2887 0.3412 ( 4808 PWs) bands (ev): -20.6586 -20.6586 -20.6277 -20.6277 -19.5890 -19.5890 -19.5868 -19.5868 -5.6521 -5.6521 -5.5592 -5.5592 -5.2259 -5.2259 -5.1579 -5.1579 -4.7606 -4.7606 -4.6747 -4.6747 -4.1507 -4.1507 -4.0793 -4.0793 -3.9219 -3.9219 -3.8680 -3.8680 -3.3982 -3.3982 -3.3605 -3.3605 -2.6615 -2.6615 -2.6451 -2.6451 5.1706 5.1706 5.2196 5.2196 5.8034 5.8034 5.8466 5.8466 5.9383 5.9383 5.9667 5.9667 10.8941 10.8941 11.3209 11.3209 11.5066 11.5066 11.8130 11.8130 11.8681 11.8681 k = 0.5000 0.2887 0.3249 ( 4804 PWs) bands (ev): -20.6636 -20.6636 -20.6226 -20.6226 -19.5894 -19.5894 -19.5865 -19.5865 -5.6725 -5.6725 -5.5493 -5.5493 -5.2328 -5.2328 -5.1439 -5.1439 -4.7688 -4.7688 -4.6552 -4.6552 -4.1639 -4.1639 -4.0690 -4.0690 -3.9306 -3.9306 -3.8587 -3.8587 -3.4051 -3.4051 -3.3548 -3.3548 -2.6670 -2.6670 -2.6452 -2.6452 5.1689 5.1689 5.2359 5.2359 5.8003 5.8003 5.8555 5.8555 5.9345 5.9345 5.9717 5.9717 10.8067 10.8067 11.3404 11.3404 11.4569 11.4569 11.8245 11.8245 11.9365 11.9365 k = 0.5000 0.2887 0.3087 ( 4798 PWs) bands (ev): -20.6685 -20.6685 -20.6176 -20.6176 -19.5897 -19.5897 -19.5861 -19.5861 -5.6939 -5.6939 -5.5411 -5.5411 -5.2382 -5.2382 -5.1297 -5.1297 -4.7751 -4.7751 -4.6349 -4.6349 -4.1774 -4.1774 -4.0592 -4.0592 -3.9391 -3.9391 -3.8493 -3.8493 -3.4122 -3.4122 -3.3492 -3.3492 -2.6731 -2.6731 -2.6460 -2.6460 5.1685 5.1685 5.2545 5.2545 5.7989 5.7989 5.8641 5.8641 5.9312 5.9312 5.9768 5.9768 10.7190 10.7190 11.3356 11.3356 11.4108 11.4108 11.8601 11.8601 12.0064 12.0064 k = 0.5000 0.2887 0.2924 ( 4794 PWs) bands (ev): -20.6733 -20.6733 -20.6127 -20.6127 -19.5901 -19.5901 -19.5858 -19.5858 -5.7159 -5.7159 -5.5343 -5.5343 -5.2422 -5.2422 -5.1154 -5.1154 -4.7797 -4.7797 -4.6139 -4.6139 -4.1908 -4.1908 -4.0500 -4.0500 -3.9475 -3.9475 -3.8398 -3.8398 -3.4195 -3.4195 -3.3439 -3.3439 -2.6799 -2.6799 -2.6474 -2.6474 5.1691 5.1691 5.2756 5.2756 5.7995 5.7995 5.8719 5.8719 5.9288 5.9288 5.9818 5.9818 10.6318 10.6318 11.3123 11.3123 11.3682 11.3682 11.9146 11.9146 12.0067 12.0067 k = 0.5000 0.2887 0.2762 ( 4800 PWs) bands (ev): -20.6780 -20.6780 -20.6079 -20.6079 -19.5905 -19.5905 -19.5854 -19.5854 -5.7384 -5.7384 -5.5288 -5.5288 -5.2448 -5.2448 -5.1012 -5.1012 -4.7826 -4.7826 -4.5926 -4.5926 -4.2042 -4.2042 -4.0414 -4.0414 -3.9558 -3.9558 -3.8301 -3.8301 -3.4270 -3.4270 -3.3387 -3.3387 -2.6873 -2.6873 -2.6495 -2.6495 5.1702 5.1702 5.2989 5.2989 5.8021 5.8021 5.8784 5.8784 5.9276 5.9276 5.9867 5.9867 10.5455 10.5455 11.2779 11.2779 11.3294 11.3294 11.9454 11.9454 11.9814 11.9814 k = 0.5000 0.2887 0.2599 ( 4788 PWs) bands (ev): -20.6825 -20.6825 -20.6032 -20.6032 -19.5908 -19.5908 -19.5851 -19.5851 -5.7610 -5.7610 -5.5245 -5.5245 -5.2463 -5.2463 -5.0869 -5.0869 -4.7840 -4.7840 -4.5715 -4.5715 -4.2173 -4.2173 -4.0333 -4.0333 -3.9637 -3.9637 -3.8204 -3.8204 -3.4347 -3.4347 -3.3336 -3.3336 -2.6951 -2.6951 -2.6521 -2.6521 5.1716 5.1716 5.3244 5.3244 5.8069 5.8069 5.8828 5.8828 5.9281 5.9281 5.9916 5.9916 10.4608 10.4608 11.2378 11.2378 11.2945 11.2945 11.8809 11.8809 12.0536 12.0536 k = 0.5000 0.2887 0.2437 ( 4782 PWs) bands (ev): -20.6868 -20.6868 -20.5988 -20.5988 -19.5911 -19.5911 -19.5848 -19.5848 -5.7836 -5.7836 -5.5213 -5.5213 -5.2467 -5.2467 -5.0728 -5.0728 -4.7841 -4.7841 -4.5510 -4.5510 -4.2298 -4.2298 -4.0260 -4.0260 -3.9713 -3.9713 -3.8105 -3.8105 -3.4425 -3.4425 -3.3288 -3.3288 -2.7033 -2.7033 -2.6551 -2.6551 5.1731 5.1731 5.3519 5.3519 5.8138 5.8138 5.8851 5.8851 5.9303 5.9303 5.9963 5.9963 10.3782 10.3782 11.1955 11.1955 11.2635 11.2635 11.8171 11.8171 12.1267 12.1267 k = 0.5000 0.2887 0.2274 ( 4782 PWs) bands (ev): -20.6910 -20.6910 -20.5945 -20.5945 -19.5914 -19.5914 -19.5845 -19.5845 -5.8058 -5.8058 -5.5190 -5.5190 -5.2465 -5.2465 -5.0586 -5.0586 -4.7832 -4.7832 -4.5317 -4.5317 -4.2413 -4.2413 -4.0196 -4.0196 -3.9783 -3.9783 -3.8006 -3.8006 -3.4505 -3.4505 -3.3241 -3.3241 -2.7118 -2.7118 -2.6585 -2.6585 5.1744 5.1744 5.3812 5.3812 5.8228 5.8228 5.8854 5.8854 5.9337 5.9337 6.0008 6.0008 10.2981 10.2981 11.1530 11.1530 11.2365 11.2365 11.7559 11.7559 12.1474 12.1474 k = 0.5000 0.2887 0.2112 ( 4786 PWs) bands (ev): -20.6949 -20.6949 -20.5904 -20.5904 -19.5917 -19.5917 -19.5843 -19.5843 -5.8274 -5.8274 -5.5174 -5.5174 -5.2456 -5.2456 -5.0443 -5.0443 -4.7814 -4.7814 -4.5142 -4.5142 -4.2514 -4.2514 -4.0147 -4.0147 -3.9840 -3.9840 -3.7906 -3.7906 -3.4586 -3.4586 -3.3197 -3.3197 -2.7204 -2.7204 -2.6621 -2.6621 5.1755 5.1755 5.4119 5.4119 5.8337 5.8337 5.8843 5.8843 5.9377 5.9377 6.0052 6.0052 10.2212 10.2212 11.1118 11.1118 11.2137 11.2137 11.6981 11.6981 12.0961 12.0961 k = 0.5000 0.2887 0.1950 ( 4778 PWs) bands (ev): -20.6986 -20.6986 -20.5865 -20.5865 -19.5920 -19.5920 -19.5840 -19.5840 -5.8482 -5.8482 -5.5165 -5.5165 -5.2443 -5.2443 -5.0298 -5.0298 -4.7791 -4.7791 -4.4992 -4.4992 -4.2596 -4.2596 -4.0125 -4.0125 -3.9873 -3.9873 -3.7806 -3.7806 -3.4669 -3.4669 -3.3154 -3.3154 -2.7292 -2.7292 -2.6660 -2.6660 5.1761 5.1761 5.4440 5.4440 5.8463 5.8463 5.8825 5.8825 5.9415 5.9415 6.0094 6.0094 10.1479 10.1479 11.0728 11.0728 11.1950 11.1950 11.6439 11.6439 12.0211 12.0211 k = 0.5000 0.2887 0.1787 ( 4786 PWs) bands (ev): -20.7021 -20.7021 -20.5829 -20.5829 -19.5923 -19.5923 -19.5838 -19.5838 -5.8681 -5.8681 -5.5159 -5.5159 -5.2428 -5.2428 -5.0152 -5.0152 -4.7766 -4.7766 -4.4874 -4.4874 -4.2652 -4.2652 -4.0140 -4.0140 -3.9870 -3.9870 -3.7706 -3.7706 -3.4751 -3.4751 -3.3114 -3.3114 -2.7378 -2.7378 -2.6699 -2.6699 5.1762 5.1762 5.4769 5.4769 5.8602 5.8602 5.8802 5.8802 5.9445 5.9445 6.0133 6.0133 10.0785 10.0785 11.0367 11.0367 11.1806 11.1806 11.5936 11.5936 11.9473 11.9473 k = 0.5000 0.2887 0.1625 ( 4790 PWs) bands (ev): -20.7053 -20.7053 -20.5795 -20.5795 -19.5925 -19.5925 -19.5835 -19.5835 -5.8868 -5.8868 -5.5158 -5.5158 -5.2412 -5.2412 -5.0003 -5.0003 -4.7742 -4.7742 -4.4793 -4.4793 -4.2679 -4.2679 -4.0181 -4.0181 -3.9841 -3.9841 -3.7608 -3.7608 -3.4834 -3.4834 -3.3076 -3.3076 -2.7463 -2.7463 -2.6738 -2.6738 5.1759 5.1759 5.5105 5.5105 5.8748 5.8748 5.8779 5.8779 5.9465 5.9465 6.0169 6.0169 10.0136 10.0136 11.0038 11.0038 11.1703 11.1703 11.5473 11.5473 11.8760 11.8760 k = 0.5000 0.2887 0.1462 ( 4790 PWs) bands (ev): -20.7082 -20.7082 -20.5764 -20.5764 -19.5928 -19.5928 -19.5833 -19.5833 -5.9042 -5.9042 -5.5159 -5.5159 -5.2395 -5.2395 -4.9852 -4.9852 -4.7721 -4.7721 -4.4749 -4.4749 -4.2677 -4.2677 -4.0234 -4.0234 -3.9803 -3.9803 -3.7510 -3.7510 -3.4915 -3.4915 -3.3040 -3.3040 -2.7544 -2.7544 -2.6777 -2.6777 5.1753 5.1753 5.5444 5.5444 5.8749 5.8749 5.8904 5.8904 5.9473 5.9473 6.0203 6.0203 9.9535 9.9535 10.9745 10.9745 11.1642 11.1642 11.5051 11.5051 11.8077 11.8077 k = 0.5000 0.2887 0.1300 ( 4790 PWs) bands (ev): -20.7109 -20.7109 -20.5736 -20.5736 -19.5930 -19.5930 -19.5832 -19.5832 -5.9201 -5.9201 -5.5162 -5.5162 -5.2379 -5.2379 -4.9699 -4.9699 -4.7707 -4.7707 -4.4739 -4.4739 -4.2648 -4.2648 -4.0288 -4.0288 -3.9763 -3.9763 -3.7416 -3.7416 -3.4996 -3.4996 -3.3008 -3.3008 -2.7621 -2.7621 -2.6813 -2.6813 5.1743 5.1743 5.5783 5.5783 5.8721 5.8721 5.9053 5.9053 5.9469 5.9469 6.0233 6.0233 9.8986 9.8986 10.9490 10.9490 11.1622 11.1622 11.4672 11.4672 11.7427 11.7427 k = 0.5000 0.2887 0.1137 ( 4774 PWs) bands (ev): -20.7133 -20.7133 -20.5711 -20.5711 -19.5932 -19.5932 -19.5830 -19.5830 -5.9344 -5.9344 -5.5166 -5.5166 -5.2365 -5.2365 -4.9547 -4.9547 -4.7701 -4.7701 -4.4756 -4.4756 -4.2599 -4.2599 -4.0340 -4.0340 -3.9725 -3.9725 -3.7325 -3.7325 -3.5073 -3.5073 -3.2978 -3.2978 -2.7693 -2.7693 -2.6847 -2.6847 5.1730 5.1730 5.6117 5.6117 5.8693 5.8693 5.9187 5.9187 5.9460 5.9460 6.0260 6.0260 9.8493 9.8493 10.9271 10.9271 11.1642 11.1642 11.4335 11.4335 11.6813 11.6813 k = 0.5000 0.2887 0.0975 ( 4770 PWs) bands (ev): -20.7154 -20.7154 -20.5689 -20.5689 -19.5933 -19.5933 -19.5829 -19.5829 -5.9470 -5.9470 -5.5171 -5.5171 -5.2352 -5.2352 -4.9396 -4.9396 -4.7706 -4.7706 -4.4791 -4.4791 -4.2538 -4.2538 -4.0388 -4.0388 -3.9690 -3.9690 -3.7240 -3.7240 -3.5146 -3.5146 -3.2952 -3.2952 -2.7757 -2.7757 -2.6878 -2.6878 5.1717 5.1717 5.6443 5.6443 5.8663 5.8663 5.9268 5.9268 5.9478 5.9478 6.0284 6.0284 9.8059 9.8059 10.9089 10.9089 11.1700 11.1700 11.4042 11.4042 11.6238 11.6238 k = 0.5000 0.2887 0.0812 ( 4768 PWs) bands (ev): -20.7171 -20.7171 -20.5670 -20.5670 -19.5935 -19.5935 -19.5827 -19.5827 -5.9578 -5.9578 -5.5175 -5.5175 -5.2341 -5.2341 -4.9251 -4.9251 -4.7722 -4.7722 -4.4834 -4.4834 -4.2475 -4.2475 -4.0431 -4.0431 -3.9660 -3.9660 -3.7162 -3.7162 -3.5214 -3.5214 -3.2929 -3.2929 -2.7814 -2.7814 -2.6905 -2.6905 5.1703 5.1703 5.6756 5.6756 5.8629 5.8629 5.9262 5.9262 5.9556 5.9556 6.0304 6.0304 9.7687 9.7687 10.8943 10.8943 11.1794 11.1794 11.3793 11.3793 11.5705 11.5705 k = 0.5000 0.2887 0.0650 ( 4766 PWs) bands (ev): -20.7186 -20.7186 -20.5654 -20.5654 -19.5936 -19.5936 -19.5826 -19.5826 -5.9667 -5.9667 -5.5180 -5.5180 -5.2332 -5.2332 -4.9114 -4.9114 -4.7747 -4.7747 -4.4879 -4.4879 -4.2415 -4.2415 -4.0467 -4.0467 -3.9634 -3.9634 -3.7094 -3.7094 -3.5274 -3.5274 -3.2910 -3.2910 -2.7863 -2.7863 -2.6928 -2.6928 5.1691 5.1691 5.7052 5.7052 5.8588 5.8588 5.9209 5.9209 5.9653 5.9653 6.0321 6.0321 9.7378 9.7378 10.8829 10.8829 11.1918 11.1918 11.3588 11.3588 11.5220 11.5220 k = 0.5000 0.2887 0.0487 ( 4774 PWs) bands (ev): -20.7197 -20.7197 -20.5642 -20.5642 -19.5937 -19.5937 -19.5826 -19.5826 -5.9738 -5.9738 -5.5183 -5.5183 -5.2324 -5.2324 -4.8992 -4.8992 -4.7780 -4.7780 -4.4919 -4.4919 -4.2364 -4.2364 -4.0496 -4.0496 -3.9614 -3.9614 -3.7037 -3.7037 -3.5324 -3.5324 -3.2895 -3.2895 -2.7901 -2.7901 -2.6947 -2.6947 5.1680 5.1680 5.7325 5.7325 5.8535 5.8535 5.9143 5.9143 5.9739 5.9739 6.0335 6.0335 9.7136 9.7136 10.8744 10.8744 11.2064 11.2064 11.3428 11.3428 11.4793 11.4793 k = 0.5000 0.2887 0.0325 ( 4774 PWs) bands (ev): -20.7206 -20.7206 -20.5633 -20.5633 -19.5937 -19.5937 -19.5825 -19.5825 -5.9788 -5.9788 -5.5186 -5.5186 -5.2319 -5.2319 -4.8893 -4.8893 -4.7815 -4.7815 -4.4950 -4.4950 -4.2325 -4.2325 -4.0517 -4.0517 -3.9599 -3.9599 -3.6994 -3.6994 -3.5362 -3.5362 -3.2884 -3.2884 -2.7929 -2.7929 -2.6960 -2.6960 5.1672 5.1672 5.7564 5.7564 5.8467 5.8467 5.9083 5.9083 5.9805 5.9805 6.0344 6.0344 9.6962 9.6962 10.8687 10.8687 11.2214 11.2214 11.3314 11.3314 11.4441 11.4441 k = 0.5000 0.2887 0.0162 ( 4764 PWs) bands (ev): -20.7211 -20.7211 -20.5628 -20.5628 -19.5938 -19.5938 -19.5825 -19.5825 -5.9819 -5.9819 -5.5188 -5.5188 -5.2316 -5.2316 -4.8826 -4.8826 -4.7841 -4.7841 -4.4970 -4.4970 -4.2300 -4.2300 -4.0530 -4.0530 -3.9590 -3.9590 -3.6967 -3.6967 -3.5386 -3.5386 -3.2878 -3.2878 -2.7946 -2.7946 -2.6968 -2.6968 5.1667 5.1667 5.7749 5.7749 5.8391 5.8391 5.9041 5.9041 5.9845 5.9845 6.0350 6.0350 9.6857 9.6857 10.8653 10.8653 11.2337 11.2337 11.3246 11.3246 11.4197 11.4197 k = 0.5000 0.2887-0.0000 ( 4772 PWs) bands (ev): -20.7212 -20.7212 -20.5626 -20.5626 -19.5938 -19.5938 -19.5825 -19.5825 -5.9829 -5.9829 -5.5188 -5.5188 -5.2315 -5.2315 -4.8803 -4.8803 -4.7852 -4.7852 -4.4977 -4.4977 -4.2292 -4.2292 -4.0534 -4.0534 -3.9587 -3.9587 -3.6958 -3.6958 -3.5394 -3.5394 -3.2875 -3.2875 -2.7952 -2.7952 -2.6971 -2.6971 5.1665 5.1665 5.7826 5.7826 5.8350 5.8350 5.9026 5.9026 5.9859 5.9859 6.0352 6.0352 9.6822 9.6822 10.8642 10.8642 11.2387 11.2387 11.3223 11.3223 11.4106 11.4106 k = 0.3333 0.5774-0.0000 ( 4794 PWs) bands (ev): -20.7185 -20.7185 -20.5624 -20.5624 -19.5893 -19.5893 -19.5893 -19.5893 -5.9364 -5.9364 -5.6109 -5.6109 -5.3727 -5.3727 -5.0037 -5.0037 -4.5939 -4.5939 -4.3816 -4.3816 -4.2853 -4.2853 -4.0595 -4.0595 -3.8990 -3.8990 -3.5707 -3.5707 -3.5466 -3.5466 -3.4375 -3.4375 -2.8246 -2.8246 -2.6155 -2.6155 5.4457 5.4457 5.4668 5.4668 5.7405 5.7405 5.9477 5.9477 5.9634 5.9634 6.3468 6.3468 9.7015 9.7015 9.9067 9.9067 11.2034 11.2034 11.2177 11.2177 12.1028 12.1028 k = 0.3333 0.5774 0.0162 ( 4785 PWs) bands (ev): -20.7184 -20.7184 -20.5626 -20.5626 -19.5893 -19.5893 -19.5893 -19.5893 -5.9353 -5.9353 -5.6110 -5.6110 -5.3731 -5.3731 -5.0039 -5.0039 -4.5935 -4.5935 -4.3831 -4.3831 -4.2847 -4.2847 -4.0595 -4.0595 -3.8996 -3.8996 -3.5704 -3.5704 -3.5470 -3.5470 -3.4377 -3.4377 -2.8240 -2.8240 -2.6151 -2.6151 5.4455 5.4455 5.4665 5.4665 5.7411 5.7411 5.9461 5.9461 5.9617 5.9617 6.3458 6.3458 9.7048 9.7048 9.9100 9.9100 11.2060 11.2060 11.2203 11.2203 12.1054 12.1054 k = 0.3333 0.5774 0.0325 ( 4785 PWs) bands (ev): -20.7179 -20.7179 -20.5631 -20.5631 -19.5893 -19.5893 -19.5893 -19.5893 -5.9323 -5.9323 -5.6112 -5.6112 -5.3741 -5.3741 -5.0045 -5.0045 -4.5922 -4.5922 -4.3874 -4.3874 -4.2829 -4.2829 -4.0596 -4.0596 -3.9015 -3.9015 -3.5695 -3.5695 -3.5481 -3.5481 -3.4382 -3.4382 -2.8222 -2.8222 -2.6137 -2.6137 5.4450 5.4450 5.4658 5.4658 5.7428 5.7428 5.9413 5.9413 5.9566 5.9566 6.3429 6.3429 9.7147 9.7147 9.9197 9.9197 11.2136 11.2136 11.2280 11.2280 12.1130 12.1130 k = 0.3333 0.5774 0.0487 ( 4785 PWs) bands (ev): -20.7171 -20.7171 -20.5639 -20.5639 -19.5893 -19.5893 -19.5893 -19.5893 -5.9272 -5.9272 -5.6115 -5.6115 -5.3759 -5.3759 -5.0055 -5.0055 -4.5901 -4.5901 -4.3944 -4.3944 -4.2800 -4.2800 -4.0598 -4.0598 -3.9045 -3.9045 -3.5681 -3.5681 -3.5499 -3.5499 -3.4389 -3.4389 -2.8193 -2.8193 -2.6116 -2.6116 5.4442 5.4442 5.4645 5.4645 5.7456 5.7456 5.9334 5.9334 5.9484 5.9484 6.3381 6.3381 9.7313 9.7313 9.9357 9.9357 11.2263 11.2263 11.2407 11.2407 12.1257 12.1257 k = 0.3333 0.5774 0.0650 ( 4797 PWs) bands (ev): -20.7160 -20.7160 -20.5651 -20.5651 -19.5893 -19.5893 -19.5893 -19.5893 -5.9202 -5.9202 -5.6119 -5.6119 -5.3783 -5.3783 -5.0070 -5.0070 -4.5872 -4.5872 -4.4037 -4.4037 -4.2765 -4.2765 -4.0601 -4.0601 -3.9085 -3.9085 -3.5661 -3.5661 -3.5523 -3.5523 -3.4400 -3.4400 -2.8153 -2.8153 -2.6086 -2.6086 5.4430 5.4430 5.4627 5.4627 5.7495 5.7495 5.9228 5.9228 5.9372 5.9372 6.3314 6.3314 9.7543 9.7543 9.9581 9.9581 11.2436 11.2436 11.2582 11.2582 12.1434 12.1434 k = 0.3333 0.5774 0.0812 ( 4794 PWs) bands (ev): -20.7145 -20.7145 -20.5667 -20.5667 -19.5893 -19.5893 -19.5893 -19.5893 -5.9113 -5.9113 -5.6123 -5.6123 -5.3813 -5.3813 -5.0088 -5.0088 -4.5836 -4.5836 -4.4153 -4.4153 -4.2725 -4.2725 -4.0605 -4.0605 -3.9133 -3.9133 -3.5638 -3.5638 -3.5553 -3.5553 -3.4413 -3.4413 -2.8103 -2.8103 -2.6049 -2.6049 5.4414 5.4414 5.4603 5.4603 5.7544 5.7544 5.9097 5.9097 5.9233 5.9233 6.3230 6.3230 9.7837 9.7837 9.9866 9.9866 11.2655 11.2655 11.2802 11.2802 12.1661 12.1661 k = 0.3333 0.5774 0.0975 ( 4800 PWs) bands (ev): -20.7128 -20.7128 -20.5685 -20.5685 -19.5893 -19.5893 -19.5893 -19.5893 -5.9006 -5.9006 -5.6127 -5.6127 -5.3849 -5.3849 -5.0112 -5.0112 -4.5793 -4.5793 -4.4287 -4.4287 -4.2682 -4.2682 -4.0611 -4.0611 -3.9188 -3.9188 -3.5611 -3.5611 -3.5587 -3.5587 -3.4428 -3.4428 -2.8044 -2.8044 -2.6005 -2.6005 5.4393 5.4393 5.4572 5.4572 5.7604 5.7604 5.8945 5.8945 5.9071 5.9071 6.3129 6.3129 9.8194 9.8194 10.0211 10.0211 11.2914 11.2914 11.3064 11.3064 12.1935 12.1935 k = 0.3333 0.5774 0.1137 ( 4794 PWs) bands (ev): -20.7107 -20.7107 -20.5707 -20.5707 -19.5893 -19.5893 -19.5893 -19.5893 -5.8883 -5.8883 -5.6130 -5.6130 -5.3889 -5.3889 -5.0140 -5.0140 -4.5743 -4.5743 -4.4440 -4.4440 -4.2637 -4.2637 -4.0617 -4.0617 -3.9248 -3.9248 -3.5626 -3.5626 -3.5582 -3.5582 -3.4446 -3.4446 -2.7978 -2.7978 -2.5955 -2.5955 5.4368 5.4368 5.4534 5.4534 5.7674 5.7674 5.8776 5.8776 5.8890 5.8890 6.3013 6.3013 9.8612 9.8612 10.0615 10.0615 11.3212 11.3212 11.3364 11.3364 12.2257 12.2257 k = 0.3333 0.5774 0.1300 ( 4788 PWs) bands (ev): -20.7084 -20.7084 -20.5731 -20.5731 -19.5893 -19.5893 -19.5893 -19.5893 -5.8745 -5.8745 -5.6130 -5.6130 -5.3933 -5.3933 -5.0173 -5.0173 -4.5689 -4.5689 -4.4609 -4.4609 -4.2592 -4.2592 -4.0625 -4.0625 -3.9310 -3.9310 -3.5668 -3.5668 -3.5551 -3.5551 -3.4465 -3.4465 -2.7905 -2.7905 -2.5899 -2.5899 5.4337 5.4337 5.4489 5.4489 5.7753 5.7753 5.8595 5.8595 5.8696 5.8696 6.2883 6.2883 9.9089 9.9089 10.1074 10.1074 11.3545 11.3545 11.3698 11.3698 12.2623 12.2623 k = 0.3333 0.5774 0.1462 ( 4791 PWs) bands (ev): -20.7057 -20.7057 -20.5759 -20.5759 -19.5893 -19.5893 -19.5893 -19.5893 -5.8594 -5.8594 -5.6126 -5.6126 -5.3980 -5.3980 -5.0211 -5.0211 -4.5630 -4.5630 -4.4793 -4.4793 -4.2548 -4.2548 -4.0635 -4.0635 -3.9372 -3.9372 -3.5712 -3.5712 -3.5519 -3.5519 -3.4487 -3.4487 -2.7827 -2.7827 -2.5840 -2.5840 5.4299 5.4299 5.4434 5.4434 5.7842 5.7842 5.8408 5.8408 5.8493 5.8493 6.2741 6.2741 9.9623 9.9623 10.1587 10.1587 11.3908 11.3908 11.4063 11.4063 12.3032 12.3032 k = 0.3333 0.5774 0.1625 ( 4791 PWs) bands (ev): -20.7028 -20.7028 -20.5790 -20.5790 -19.5893 -19.5893 -19.5893 -19.5893 -5.8434 -5.8434 -5.6116 -5.6116 -5.4028 -5.4028 -5.0256 -5.0256 -4.5568 -4.5568 -4.4989 -4.4989 -4.2504 -4.2504 -4.0647 -4.0647 -3.9435 -3.9435 -3.5757 -3.5757 -3.5487 -3.5487 -3.4509 -3.4509 -2.7745 -2.7745 -2.5777 -2.5777 5.4255 5.4255 5.4371 5.4371 5.7937 5.7937 5.8221 5.8221 5.8286 5.8286 6.2587 6.2587 10.0211 10.0211 10.2151 10.2151 11.4301 11.4301 11.4457 11.4457 12.3479 12.3479 k = 0.3333 0.5774 0.1787 ( 4794 PWs) bands (ev): -20.6997 -20.6997 -20.5823 -20.5823 -19.5893 -19.5893 -19.5893 -19.5893 -5.8267 -5.8267 -5.6098 -5.6098 -5.4078 -5.4078 -5.0307 -5.0307 -4.5504 -4.5504 -4.5196 -4.5196 -4.2461 -4.2461 -4.0661 -4.0661 -3.9495 -3.9495 -3.5803 -3.5803 -3.5455 -3.5455 -3.4533 -3.4533 -2.7661 -2.7661 -2.5712 -2.5712 5.4203 5.4203 5.4299 5.4299 5.8004 5.8004 5.8073 5.8073 5.8080 5.8080 6.2425 6.2425 10.0850 10.0850 10.2763 10.2763 11.4719 11.4719 11.4877 11.4877 12.3963 12.3965 k = 0.3333 0.5774 0.1950 ( 4794 PWs) bands (ev): -20.6962 -20.6962 -20.5858 -20.5858 -19.5893 -19.5893 -19.5893 -19.5893 -5.8099 -5.8099 -5.6068 -5.6068 -5.4129 -5.4129 -5.0365 -5.0365 -4.5438 -4.5438 -4.5410 -4.5410 -4.2420 -4.2420 -4.0676 -4.0676 -3.9552 -3.9552 -3.5847 -3.5847 -3.5424 -3.5424 -3.4557 -3.4557 -2.7577 -2.7577 -2.5645 -2.5645 5.4144 5.4144 5.4217 5.4217 5.7848 5.7848 5.7880 5.7880 5.8163 5.8163 6.2254 6.2254 10.1536 10.1536 10.3420 10.3420 11.5162 11.5162 11.5320 11.5320 12.3422 12.3422 k = 0.3333 0.5774 0.2112 ( 4794 PWs) bands (ev): -20.6926 -20.6926 -20.5896 -20.5896 -19.5893 -19.5893 -19.5893 -19.5893 -5.7933 -5.7933 -5.6022 -5.6022 -5.4178 -5.4178 -5.0432 -5.0432 -4.5627 -4.5627 -4.5372 -4.5372 -4.2382 -4.2382 -4.0692 -4.0692 -3.9605 -3.9605 -3.5891 -3.5891 -3.5393 -3.5393 -3.4581 -3.4581 -2.7493 -2.7493 -2.5579 -2.5579 5.4078 5.4078 5.4128 5.4128 5.7682 5.7682 5.7691 5.7691 5.8282 5.8282 6.2076 6.2076 10.2266 10.2266 10.4118 10.4118 11.5627 11.5627 11.5786 11.5786 12.2753 12.2753 k = 0.3333 0.5774 0.2274 ( 4803 PWs) bands (ev): -20.6887 -20.6887 -20.5937 -20.5937 -19.5893 -19.5893 -19.5893 -19.5893 -5.7777 -5.7777 -5.5958 -5.5958 -5.4227 -5.4227 -5.0508 -5.0508 -4.5845 -4.5845 -4.5306 -4.5306 -4.2346 -4.2346 -4.0710 -4.0710 -3.9654 -3.9654 -3.5932 -3.5932 -3.5364 -3.5364 -3.4605 -3.4605 -2.7411 -2.7411 -2.5515 -2.5515 5.4005 5.4005 5.4031 5.4031 5.7515 5.7515 5.7529 5.7529 5.8409 5.8409 6.1893 6.1893 10.3035 10.3035 10.4853 10.4853 11.6114 11.6114 11.6273 11.6273 12.2049 12.2049 k = 0.3333 0.5774 0.2437 ( 4803 PWs) bands (ev): -20.6846 -20.6846 -20.5979 -20.5979 -19.5893 -19.5893 -19.5893 -19.5893 -5.7637 -5.7637 -5.5870 -5.5870 -5.4273 -5.4273 -5.0594 -5.0594 -4.6058 -4.6058 -4.5243 -4.5243 -4.2313 -4.2313 -4.0729 -4.0729 -3.9698 -3.9698 -3.5971 -3.5971 -3.5336 -3.5336 -3.4630 -3.4630 -2.7332 -2.7332 -2.5452 -2.5452 5.3927 5.3927 5.3930 5.3930 5.7355 5.7355 5.7392 5.7392 5.8543 5.8543 6.1707 6.1707 10.3838 10.3838 10.5621 10.5621 11.6622 11.6622 11.6781 11.6781 12.1317 12.1317 k = 0.3333 0.5774 0.2599 ( 4809 PWs) bands (ev): -20.6804 -20.6804 -20.6023 -20.6023 -19.5893 -19.5893 -19.5893 -19.5893 -5.7516 -5.7516 -5.5758 -5.5758 -5.4316 -5.4316 -5.0689 -5.0689 -4.6262 -4.6262 -4.5182 -4.5182 -4.2282 -4.2282 -4.0749 -4.0749 -3.9737 -3.9737 -3.6006 -3.6006 -3.5310 -3.5310 -3.4653 -3.4653 -2.7258 -2.7258 -2.5393 -2.5393 5.3826 5.3826 5.3846 5.3846 5.7213 5.7213 5.7271 5.7271 5.8683 5.8683 6.1517 6.1517 10.4670 10.4670 10.6414 10.6414 11.7151 11.7151 11.7309 11.7309 12.0562 12.0562 k = 0.3333 0.5774 0.2762 ( 4821 PWs) bands (ev): -20.6759 -20.6759 -20.6069 -20.6069 -19.5893 -19.5893 -19.5893 -19.5893 -5.7417 -5.7417 -5.5623 -5.5623 -5.4355 -5.4355 -5.0794 -5.0794 -4.6453 -4.6453 -4.5125 -4.5125 -4.2255 -4.2255 -4.0768 -4.0768 -3.9771 -3.9771 -3.6038 -3.6038 -3.5285 -3.5285 -3.4675 -3.4675 -2.7190 -2.7190 -2.5338 -2.5338 5.3724 5.3724 5.3764 5.3764 5.7090 5.7090 5.7167 5.7167 5.8829 5.8829 6.1325 6.1325 10.5524 10.5524 10.7226 10.7226 11.7700 11.7700 11.7856 11.7856 11.9791 11.9791 k = 0.3333 0.5774 0.2924 ( 4830 PWs) bands (ev): -20.6713 -20.6713 -20.6116 -20.6116 -19.5893 -19.5893 -19.5892 -19.5892 -5.7340 -5.7340 -5.5470 -5.5470 -5.4391 -5.4391 -5.0906 -5.0906 -4.6627 -4.6627 -4.5073 -4.5073 -4.2232 -4.2232 -4.0787 -4.0787 -3.9801 -3.9801 -3.6066 -3.6066 -3.5263 -3.5263 -3.4696 -3.4696 -2.7129 -2.7129 -2.5288 -2.5288 5.3626 5.3626 5.3685 5.3685 5.6986 5.6986 5.7080 5.7080 5.8981 5.8981 6.1132 6.1132 10.6393 10.6393 10.8045 10.8045 11.8269 11.8269 11.8423 11.8423 11.9016 11.9016 k = 0.3333 0.5774 0.3087 ( 4812 PWs) bands (ev): -20.6666 -20.6666 -20.6164 -20.6164 -19.5893 -19.5893 -19.5892 -19.5892 -5.7283 -5.7283 -5.5309 -5.5309 -5.4422 -5.4422 -5.1023 -5.1023 -4.6780 -4.6780 -4.5027 -4.5027 -4.2212 -4.2212 -4.0804 -4.0804 -3.9825 -3.9825 -3.6090 -3.6090 -3.5243 -3.5243 -3.4715 -3.4715 -2.7076 -2.7076 -2.5245 -2.5245 5.3536 5.3536 5.3611 5.3611 5.6900 5.6900 5.7009 5.7009 5.9138 5.9138 6.0940 6.0940 10.7266 10.7266 10.8855 10.8855 11.8251 11.8251 11.8858 11.8858 11.9012 11.9012 k = 0.3333 0.5774 0.3249 ( 4812 PWs) bands (ev): -20.6617 -20.6617 -20.6213 -20.6213 -19.5893 -19.5893 -19.5892 -19.5892 -5.7242 -5.7242 -5.5148 -5.5148 -5.4448 -5.4448 -5.1137 -5.1137 -4.6909 -4.6909 -4.4988 -4.4988 -4.2195 -4.2195 -4.0819 -4.0819 -3.9845 -3.9845 -3.6110 -3.6110 -3.5225 -3.5225 -3.4732 -3.4732 -2.7031 -2.7031 -2.5208 -2.5208 5.3458 5.3458 5.3546 5.3546 5.6831 5.6831 5.6952 5.6952 5.9299 5.9299 6.0749 6.0749 10.8131 10.8131 10.9626 10.9626 11.7527 11.7527 11.9295 11.9295 11.9466 11.9466 k = 0.3333 0.5774 0.3412 ( 4824 PWs) bands (ev): -20.6568 -20.6568 -20.6263 -20.6263 -19.5893 -19.5893 -19.5892 -19.5892 -5.7213 -5.7213 -5.5003 -5.5003 -5.4468 -5.4468 -5.1243 -5.1243 -4.7011 -4.7011 -4.4957 -4.4957 -4.2182 -4.2182 -4.0832 -4.0832 -3.9860 -3.9860 -3.6125 -3.6125 -3.5211 -3.5211 -3.4746 -3.4746 -2.6995 -2.6995 -2.5179 -2.5179 5.3394 5.3394 5.3491 5.3491 5.6779 5.6779 5.6909 5.6909 5.9465 5.9465 6.0559 6.0559 10.8969 10.8969 11.0310 11.0310 11.6891 11.6891 11.8454 11.8454 12.0094 12.0094 k = 0.3333 0.5774 0.3574 ( 4824 PWs) bands (ev): -20.6518 -20.6518 -20.6314 -20.6314 -19.5893 -19.5893 -19.5892 -19.5892 -5.7195 -5.7195 -5.4886 -5.4886 -5.4483 -5.4483 -5.1330 -5.1330 -4.7085 -4.7085 -4.4935 -4.4935 -4.2173 -4.2173 -4.0841 -4.0841 -3.9871 -3.9871 -3.6136 -3.6136 -3.5201 -3.5201 -3.4756 -3.4756 -2.6969 -2.6969 -2.5158 -2.5158 5.3346 5.3346 5.3451 5.3451 5.6743 5.6743 5.6879 5.6879 5.9635 5.9635 6.0373 6.0373 10.9747 10.9747 11.0820 11.0820 11.6429 11.6429 11.7655 11.7655 12.0740 12.0740 k = 0.3333 0.5774 0.3737 ( 4818 PWs) bands (ev): -20.6467 -20.6467 -20.6365 -20.6365 -19.5893 -19.5893 -19.5892 -19.5892 -5.7184 -5.7184 -5.4809 -5.4809 -5.4492 -5.4492 -5.1387 -5.1387 -4.7129 -4.7129 -4.4921 -4.4921 -4.2168 -4.2168 -4.0847 -4.0847 -3.9878 -3.9878 -3.6143 -3.6143 -3.5194 -3.5194 -3.4763 -3.4763 -2.6953 -2.6953 -2.5145 -2.5145 5.3317 5.3317 5.3426 5.3426 5.6721 5.6721 5.6861 5.6861 5.9804 5.9804 6.0193 6.0193 11.0414 11.0414 11.1037 11.1037 11.6258 11.6258 11.6958 11.6958 12.1402 12.1402 k = 0.3333 0.5774 0.3899 ( 4794 PWs) bands (ev): -20.6416 -20.6416 -20.6416 -20.6416 -19.5893 -19.5893 -19.5892 -19.5892 -5.7181 -5.7181 -5.4782 -5.4782 -5.4495 -5.4495 -5.1407 -5.1407 -4.7144 -4.7144 -4.4916 -4.4916 -4.2166 -4.2166 -4.0849 -4.0849 -3.9880 -3.9880 -3.6145 -3.6145 -3.5192 -3.5192 -3.4765 -3.4765 -2.6948 -2.6948 -2.5141 -2.5141 5.3307 5.3307 5.3418 5.3418 5.6714 5.6714 5.6856 5.6856 5.9926 5.9926 6.0067 6.0067 11.0839 11.0839 11.0928 11.0928 11.6424 11.6424 11.6481 11.6481 12.2049 12.2049 Writing output data file Rb2S.save init_run : 0.26s CPU 0.42s WALL ( 1 calls) electrons : 187.53s CPU 190.16s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 187.53s CPU 190.16s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.10s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.06s WALL ( 271 calls) cegterg : 171.40s CPU 173.47s WALL ( 513 calls) Called by sum_band: Called by *egterg: h_psi : 98.70s CPU 100.38s WALL ( 7490 calls) s_psi : 8.08s CPU 8.27s WALL ( 7490 calls) g_psi : 0.26s CPU 0.27s WALL ( 6706 calls) cdiaghg : 57.88s CPU 58.91s WALL ( 6977 calls) cegterg:over : 7.12s CPU 6.92s WALL ( 6706 calls) cegterg:upda : 6.14s CPU 6.05s WALL ( 6706 calls) cegterg:last : 3.08s CPU 3.02s WALL ( 1055 calls) cdiaghg:chol : 3.38s CPU 3.38s WALL ( 6977 calls) cdiaghg:inve : 2.22s CPU 2.34s WALL ( 6977 calls) cdiaghg:para : 3.48s CPU 3.73s WALL ( 13954 calls) Called by h_psi: h_psi:vloc : 81.16s CPU 82.70s WALL ( 7490 calls) h_psi:vnl : 17.26s CPU 17.43s WALL ( 7490 calls) add_vuspsi : 9.63s CPU 9.73s WALL ( 7490 calls) General routines calbec : 7.60s CPU 7.67s WALL ( 7490 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 76.18s CPU 77.71s WALL ( 792036 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.22s WALL ( 542 calls) Parallel routines fft_scatter : 23.21s CPU 23.74s WALL ( 792059 calls) PWSCF : 3m23.56s CPU 3m42.59s WALL This run was terminated on: 21:13:14 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=